USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 724 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 77 MET CE :methyl 173:sc= -0.44 (180deg=-0.531) USER MOD Set 1.2: A 89 ASN : amide:sc= -0.433 K(o=-0.87,f=-1.9) USER MOD Set 2.1: A 46 ASN : amide:sc= -0.471 K(o=-0.47,f=-2.2!) USER MOD Set 2.2: A 48 GLN : amide:sc= 0 K(o=-0.47,f=-1.6) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -1.11 K(o=-1.1,f=-3.4!) USER MOD Single : A 11 ASN :FLIP amide:sc= -0.16 F(o=-1.4,f=-0.16) USER MOD Single : A 15 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.072) USER MOD Single : A 20 LYS NZ :NH3+ 165:sc= -4.23 (180deg=-5.04!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0672 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -118:sc= -0.132 (180deg=-0.715) USER MOD Single : A 44 ASN : amide:sc= -0.182 K(o=-0.18,f=-2.2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 77:sc= 1.17 USER MOD Single : A 57 GLN : amide:sc= -0.092 K(o=-0.092,f=-1) USER MOD Single : A 61 LYS NZ :NH3+ 160:sc= 0.00261 (180deg=0) USER MOD Single : A 67 TYR OH : rot 30:sc= -1.19 USER MOD Single : A 69 LYS NZ :NH3+ -152:sc= 1.09 (180deg=-0.903!) USER MOD Single : A 71 TYR OH : rot 70:sc= -1.97 USER MOD Single : A 72 ASN : amide:sc= 0.511 K(o=0.51,f=-0.19) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 164:sc= 0.0789 (180deg=0.00291) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 2 -11.692 -12.250 -6.452 1.00 0.00 N ATOM 19 CA ASP A 2 -12.711 -12.279 -5.417 1.00 0.00 C ATOM 20 C ASP A 2 -12.099 -11.822 -4.091 1.00 0.00 C ATOM 21 O ASP A 2 -10.993 -12.231 -3.741 1.00 0.00 O ATOM 22 CB ASP A 2 -13.257 -13.695 -5.222 1.00 0.00 C ATOM 23 CG ASP A 2 -14.782 -13.812 -5.273 1.00 0.00 C ATOM 24 OD1 ASP A 2 -15.401 -13.630 -6.331 1.00 0.00 O ATOM 25 OD2 ASP A 2 -15.344 -14.108 -4.150 1.00 0.00 O ATOM 0 HA ASP A 2 -13.522 -11.618 -5.724 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.832 -14.341 -5.990 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -12.910 -14.073 -4.260 1.00 0.00 H new ATOM 31 N ILE A 3 -12.845 -10.979 -3.392 1.00 0.00 N ATOM 32 CA ILE A 3 -12.389 -10.461 -2.113 1.00 0.00 C ATOM 33 C ILE A 3 -13.500 -10.628 -1.075 1.00 0.00 C ATOM 34 O ILE A 3 -14.678 -10.461 -1.389 1.00 0.00 O ATOM 35 CB ILE A 3 -11.897 -9.020 -2.262 1.00 0.00 C ATOM 36 CG1 ILE A 3 -10.371 -8.970 -2.369 1.00 0.00 C ATOM 37 CG2 ILE A 3 -12.422 -8.141 -1.124 1.00 0.00 C ATOM 38 CD1 ILE A 3 -9.888 -7.542 -2.629 1.00 0.00 C ATOM 0 H ILE A 3 -13.761 -10.642 -3.687 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.531 -11.030 -1.756 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.298 -8.616 -3.192 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.925 -9.347 -1.448 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.037 -9.623 -3.175 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.058 -7.122 -1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -13.512 -8.141 -1.137 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -12.071 -8.533 -0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.800 -7.533 -2.701 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.316 -7.177 -3.563 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.203 -6.897 -1.809 1.00 0.00 H new ATOM 50 N SER A 4 -13.088 -10.955 0.141 1.00 0.00 N ATOM 51 CA SER A 4 -14.034 -11.145 1.226 1.00 0.00 C ATOM 52 C SER A 4 -13.661 -10.250 2.409 1.00 0.00 C ATOM 53 O SER A 4 -12.524 -10.275 2.877 1.00 0.00 O ATOM 54 CB SER A 4 -14.082 -12.610 1.665 1.00 0.00 C ATOM 55 OG SER A 4 -15.418 -13.103 1.737 1.00 0.00 O ATOM 0 H SER A 4 -12.111 -11.093 0.398 1.00 0.00 H new ATOM 0 HA SER A 4 -15.025 -10.868 0.867 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.509 -13.217 0.964 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.605 -12.712 2.640 1.00 0.00 H new ATOM 0 HG SER A 4 -15.406 -14.042 2.019 1.00 0.00 H new ATOM 61 N ILE A 5 -14.640 -9.480 2.859 1.00 0.00 N ATOM 62 CA ILE A 5 -14.429 -8.578 3.979 1.00 0.00 C ATOM 63 C ILE A 5 -14.665 -9.332 5.288 1.00 0.00 C ATOM 64 O ILE A 5 -15.664 -10.036 5.432 1.00 0.00 O ATOM 65 CB ILE A 5 -15.292 -7.324 3.827 1.00 0.00 C ATOM 66 CG1 ILE A 5 -15.021 -6.629 2.491 1.00 0.00 C ATOM 67 CG2 ILE A 5 -15.100 -6.378 5.014 1.00 0.00 C ATOM 68 CD1 ILE A 5 -13.705 -5.851 2.536 1.00 0.00 C ATOM 0 H ILE A 5 -15.582 -9.462 2.468 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.397 -8.227 3.995 1.00 0.00 H new ATOM 0 HB ILE A 5 -16.338 -7.629 3.824 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -14.983 -7.370 1.693 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -15.841 -5.950 2.257 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -15.725 -5.495 4.880 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -15.384 -6.887 5.935 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -14.054 -6.077 5.074 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -13.536 -5.366 1.574 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -13.756 -5.095 3.319 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -12.884 -6.537 2.746 1.00 0.00 H new ATOM 80 N ILE A 6 -13.731 -9.161 6.211 1.00 0.00 N ATOM 81 CA ILE A 6 -13.825 -9.817 7.504 1.00 0.00 C ATOM 82 C ILE A 6 -14.513 -8.879 8.498 1.00 0.00 C ATOM 83 O ILE A 6 -15.600 -9.179 8.989 1.00 0.00 O ATOM 84 CB ILE A 6 -12.447 -10.296 7.963 1.00 0.00 C ATOM 85 CG1 ILE A 6 -11.711 -11.017 6.831 1.00 0.00 C ATOM 86 CG2 ILE A 6 -12.558 -11.165 9.218 1.00 0.00 C ATOM 87 CD1 ILE A 6 -12.139 -12.483 6.746 1.00 0.00 C ATOM 0 H ILE A 6 -12.904 -8.577 6.089 1.00 0.00 H new ATOM 0 HA ILE A 6 -14.441 -10.714 7.433 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.853 -9.421 8.228 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -11.916 -10.519 5.883 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.635 -10.957 6.996 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.564 -11.492 9.523 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -13.012 -10.586 10.022 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -13.177 -12.036 9.004 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.601 -12.972 5.934 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -11.910 -12.984 7.687 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -13.211 -12.539 6.557 1.00 0.00 H new ATOM 99 N SER A 7 -13.851 -7.763 8.764 1.00 0.00 N ATOM 100 CA SER A 7 -14.385 -6.779 9.691 1.00 0.00 C ATOM 101 C SER A 7 -14.279 -5.378 9.086 1.00 0.00 C ATOM 102 O SER A 7 -13.521 -5.162 8.142 1.00 0.00 O ATOM 103 CB SER A 7 -13.654 -6.833 11.034 1.00 0.00 C ATOM 104 OG SER A 7 -13.120 -8.128 11.300 1.00 0.00 O ATOM 0 H SER A 7 -12.950 -7.518 8.354 1.00 0.00 H new ATOM 0 HA SER A 7 -15.435 -7.013 9.869 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.847 -6.100 11.037 1.00 0.00 H new ATOM 0 HB3 SER A 7 -14.341 -6.553 11.832 1.00 0.00 H new ATOM 0 HG SER A 7 -12.660 -8.121 12.165 1.00 0.00 H new ATOM 110 N ASP A 8 -15.051 -4.463 9.653 1.00 0.00 N ATOM 111 CA ASP A 8 -15.053 -3.089 9.182 1.00 0.00 C ATOM 112 C ASP A 8 -14.974 -2.142 10.381 1.00 0.00 C ATOM 113 O ASP A 8 -15.992 -1.835 11.002 1.00 0.00 O ATOM 114 CB ASP A 8 -16.338 -2.773 8.413 1.00 0.00 C ATOM 115 CG ASP A 8 -17.625 -2.886 9.232 1.00 0.00 C ATOM 116 OD1 ASP A 8 -18.237 -1.874 9.604 1.00 0.00 O ATOM 117 OD2 ASP A 8 -18.003 -4.093 9.490 1.00 0.00 O ATOM 0 H ASP A 8 -15.680 -4.647 10.435 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.196 -2.958 8.522 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -16.266 -1.761 8.015 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.408 -3.447 7.559 1.00 0.00 H new ATOM 123 N ARG A 9 -13.758 -1.706 10.672 1.00 0.00 N ATOM 124 CA ARG A 9 -13.534 -0.800 11.785 1.00 0.00 C ATOM 125 C ARG A 9 -13.281 0.619 11.273 1.00 0.00 C ATOM 126 O ARG A 9 -12.910 0.809 10.116 1.00 0.00 O ATOM 127 CB ARG A 9 -12.339 -1.251 12.630 1.00 0.00 C ATOM 128 CG ARG A 9 -12.803 -1.985 13.889 1.00 0.00 C ATOM 129 CD ARG A 9 -12.383 -1.230 15.151 1.00 0.00 C ATOM 130 NE ARG A 9 -12.021 -2.190 16.218 1.00 0.00 N ATOM 131 CZ ARG A 9 -12.909 -2.738 17.075 1.00 0.00 C ATOM 132 NH1 ARG A 9 -14.219 -2.424 16.998 1.00 0.00 N ATOM 133 NH2 ARG A 9 -12.475 -3.584 17.990 1.00 0.00 N ATOM 0 H ARG A 9 -12.917 -1.964 10.156 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.429 -0.811 12.406 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.698 -1.905 12.039 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.740 -0.385 12.910 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.887 -2.095 13.871 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.381 -2.990 13.905 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -11.535 -0.581 14.931 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.197 -0.588 15.489 1.00 0.00 H new ATOM 0 HE ARG A 9 -11.040 -2.454 16.312 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.545 -1.768 16.288 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.883 -2.843 17.649 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.483 -3.814 18.042 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.132 -4.007 18.646 1.00 0.00 H new ATOM 146 N ASN A 10 -13.493 1.581 12.160 1.00 0.00 N ATOM 147 CA ASN A 10 -13.293 2.977 11.812 1.00 0.00 C ATOM 148 C ASN A 10 -12.408 3.640 12.870 1.00 0.00 C ATOM 149 O ASN A 10 -12.545 3.363 14.061 1.00 0.00 O ATOM 150 CB ASN A 10 -14.624 3.730 11.769 1.00 0.00 C ATOM 151 CG ASN A 10 -14.399 5.243 11.781 1.00 0.00 C ATOM 152 OD1 ASN A 10 -13.464 5.762 11.193 1.00 0.00 O ATOM 153 ND2 ASN A 10 -15.303 5.919 12.484 1.00 0.00 N ATOM 0 H ASN A 10 -13.801 1.420 13.119 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.825 3.016 10.828 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.176 3.448 10.873 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.236 3.443 12.624 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.238 6.934 12.555 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.061 5.422 12.952 1.00 0.00 H new ATOM 160 N ASN A 11 -11.521 4.503 12.397 1.00 0.00 N ATOM 161 CA ASN A 11 -10.614 5.208 13.287 1.00 0.00 C ATOM 162 C ASN A 11 -10.690 6.709 13.001 1.00 0.00 C ATOM 163 O ASN A 11 -9.959 7.221 12.155 1.00 0.00 O ATOM 164 CB ASN A 11 -9.168 4.758 13.069 1.00 0.00 C ATOM 165 CG ASN A 11 -8.914 3.396 13.717 1.00 0.00 C ATOM 166 OD1 ASN A 11 -9.256 2.362 12.954 1.00 0.00 O flip ATOM 167 ND2 ASN A 11 -8.439 3.291 14.836 1.00 0.00 N flip ATOM 0 H ASN A 11 -11.411 4.730 11.409 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.909 4.988 14.313 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.958 4.701 12.001 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.486 5.497 13.489 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.198 4.127 15.368 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.282 2.367 15.239 1.00 0.00 H new ATOM 174 N PRO A 12 -11.605 7.390 13.742 1.00 0.00 N ATOM 175 CA PRO A 12 -11.786 8.822 13.578 1.00 0.00 C ATOM 176 C PRO A 12 -10.636 9.597 14.221 1.00 0.00 C ATOM 177 O PRO A 12 -10.211 10.629 13.703 1.00 0.00 O ATOM 178 CB PRO A 12 -13.134 9.124 14.211 1.00 0.00 C ATOM 179 CG PRO A 12 -13.444 7.941 15.115 1.00 0.00 C ATOM 180 CD PRO A 12 -12.488 6.815 14.754 1.00 0.00 C ATOM 0 HA PRO A 12 -11.775 9.130 12.533 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.099 10.052 14.781 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.904 9.246 13.450 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.327 8.220 16.162 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.478 7.621 14.984 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.926 6.478 15.625 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.024 5.949 14.366 1.00 0.00 H new ATOM 188 N LEU A 13 -10.163 9.072 15.342 1.00 0.00 N ATOM 189 CA LEU A 13 -9.070 9.702 16.062 1.00 0.00 C ATOM 190 C LEU A 13 -8.039 10.226 15.060 1.00 0.00 C ATOM 191 O LEU A 13 -7.971 11.427 14.804 1.00 0.00 O ATOM 192 CB LEU A 13 -8.487 8.741 17.099 1.00 0.00 C ATOM 193 CG LEU A 13 -9.417 8.350 18.249 1.00 0.00 C ATOM 194 CD1 LEU A 13 -10.015 6.960 18.023 1.00 0.00 C ATOM 195 CD2 LEU A 13 -8.697 8.451 19.595 1.00 0.00 C ATOM 0 H LEU A 13 -10.517 8.216 15.769 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.431 10.562 16.626 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.173 7.832 16.586 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.590 9.194 17.521 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.246 9.057 18.273 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.672 6.707 18.855 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.587 6.956 17.095 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.213 6.225 17.958 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.381 8.168 20.395 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.837 7.782 19.599 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.360 9.476 19.751 1.00 0.00 H new ATOM 207 N LEU A 14 -7.263 9.298 14.520 1.00 0.00 N ATOM 208 CA LEU A 14 -6.238 9.650 13.552 1.00 0.00 C ATOM 209 C LEU A 14 -6.903 10.025 12.226 1.00 0.00 C ATOM 210 O LEU A 14 -6.257 10.575 11.337 1.00 0.00 O ATOM 211 CB LEU A 14 -5.210 8.525 13.426 1.00 0.00 C ATOM 212 CG LEU A 14 -4.419 8.194 14.694 1.00 0.00 C ATOM 213 CD1 LEU A 14 -4.021 6.717 14.723 1.00 0.00 C ATOM 214 CD2 LEU A 14 -3.208 9.117 14.842 1.00 0.00 C ATOM 0 H LEU A 14 -7.323 8.303 14.734 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.680 10.524 13.889 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.726 7.623 13.098 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.503 8.792 12.640 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.065 8.370 15.554 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.460 6.509 15.634 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.918 6.098 14.700 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.401 6.490 13.856 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.664 8.860 15.751 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.552 8.997 13.980 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.544 10.152 14.901 1.00 0.00 H new ATOM 226 N GLN A 15 -8.188 9.712 12.136 1.00 0.00 N ATOM 227 CA GLN A 15 -8.948 10.009 10.934 1.00 0.00 C ATOM 228 C GLN A 15 -8.604 9.011 9.828 1.00 0.00 C ATOM 229 O GLN A 15 -8.587 9.365 8.649 1.00 0.00 O ATOM 230 CB GLN A 15 -8.702 11.447 10.471 1.00 0.00 C ATOM 231 CG GLN A 15 -10.008 12.244 10.439 1.00 0.00 C ATOM 232 CD GLN A 15 -9.809 13.646 11.019 1.00 0.00 C ATOM 233 OE1 GLN A 15 -10.080 14.652 10.385 1.00 0.00 O ATOM 234 NE2 GLN A 15 -9.323 13.654 12.257 1.00 0.00 N ATOM 0 H GLN A 15 -8.721 9.256 12.876 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.009 9.913 11.166 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.992 11.932 11.141 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.251 11.441 9.479 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.368 12.319 9.413 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.774 11.717 11.008 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.118 12.774 12.730 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.155 14.540 12.733 1.00 0.00 H new ATOM 243 N ARG A 16 -8.337 7.782 10.245 1.00 0.00 N ATOM 244 CA ARG A 16 -7.993 6.730 9.305 1.00 0.00 C ATOM 245 C ARG A 16 -9.032 5.607 9.362 1.00 0.00 C ATOM 246 O ARG A 16 -9.901 5.604 10.232 1.00 0.00 O ATOM 247 CB ARG A 16 -6.611 6.151 9.606 1.00 0.00 C ATOM 248 CG ARG A 16 -5.520 7.208 9.421 1.00 0.00 C ATOM 249 CD ARG A 16 -4.130 6.604 9.619 1.00 0.00 C ATOM 250 NE ARG A 16 -4.147 5.656 10.755 1.00 0.00 N ATOM 251 CZ ARG A 16 -4.430 4.340 10.639 1.00 0.00 C ATOM 252 NH1 ARG A 16 -4.722 3.806 9.433 1.00 0.00 N ATOM 253 NH2 ARG A 16 -4.416 3.585 11.721 1.00 0.00 N ATOM 0 H ARG A 16 -8.352 7.492 11.223 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.980 7.169 8.307 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.586 5.773 10.628 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.417 5.304 8.948 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.593 7.640 8.423 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.672 8.020 10.132 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.815 6.090 8.711 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.404 7.395 9.806 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.932 6.019 11.684 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.730 4.397 8.602 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.935 2.812 9.354 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.194 3.997 12.627 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.627 2.590 11.651 1.00 0.00 H new ATOM 266 N ARG A 17 -8.908 4.680 8.423 1.00 0.00 N ATOM 267 CA ARG A 17 -9.825 3.555 8.356 1.00 0.00 C ATOM 268 C ARG A 17 -9.066 2.241 8.549 1.00 0.00 C ATOM 269 O ARG A 17 -7.944 2.090 8.067 1.00 0.00 O ATOM 270 CB ARG A 17 -10.557 3.521 7.013 1.00 0.00 C ATOM 271 CG ARG A 17 -11.918 2.836 7.148 1.00 0.00 C ATOM 272 CD ARG A 17 -12.927 3.754 7.842 1.00 0.00 C ATOM 273 NE ARG A 17 -14.272 3.562 7.254 1.00 0.00 N ATOM 274 CZ ARG A 17 -14.716 4.206 6.154 1.00 0.00 C ATOM 275 NH1 ARG A 17 -13.924 5.090 5.511 1.00 0.00 N ATOM 276 NH2 ARG A 17 -15.937 3.959 5.717 1.00 0.00 N ATOM 0 H ARG A 17 -8.186 4.685 7.702 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.558 3.676 9.153 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.692 4.537 6.643 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.951 2.992 6.278 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.290 2.561 6.161 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.810 1.913 7.717 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.953 3.538 8.910 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.619 4.794 7.735 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.903 2.902 7.709 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.982 5.276 5.856 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -14.267 5.572 4.680 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.529 3.290 6.209 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.288 4.437 4.887 1.00 0.00 H new ATOM 289 N GLU A 18 -9.709 1.321 9.255 1.00 0.00 N ATOM 290 CA GLU A 18 -9.108 0.024 9.518 1.00 0.00 C ATOM 291 C GLU A 18 -10.106 -1.094 9.209 1.00 0.00 C ATOM 292 O GLU A 18 -10.965 -1.409 10.032 1.00 0.00 O ATOM 293 CB GLU A 18 -8.611 -0.067 10.961 1.00 0.00 C ATOM 294 CG GLU A 18 -7.359 0.788 11.165 1.00 0.00 C ATOM 295 CD GLU A 18 -6.684 0.462 12.499 1.00 0.00 C ATOM 296 OE1 GLU A 18 -6.406 -0.713 12.781 1.00 0.00 O ATOM 297 OE2 GLU A 18 -6.446 1.481 13.254 1.00 0.00 O ATOM 0 H GLU A 18 -10.640 1.448 9.653 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.244 -0.095 8.864 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.396 0.263 11.641 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.391 -1.105 11.209 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.659 0.615 10.347 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.627 1.844 11.137 1.00 0.00 H new ATOM 305 N ILE A 19 -9.960 -1.663 8.021 1.00 0.00 N ATOM 306 CA ILE A 19 -10.838 -2.740 7.594 1.00 0.00 C ATOM 307 C ILE A 19 -9.995 -3.959 7.216 1.00 0.00 C ATOM 308 O ILE A 19 -8.912 -3.817 6.648 1.00 0.00 O ATOM 309 CB ILE A 19 -11.766 -2.262 6.475 1.00 0.00 C ATOM 310 CG1 ILE A 19 -12.523 -1.000 6.892 1.00 0.00 C ATOM 311 CG2 ILE A 19 -12.713 -3.380 6.035 1.00 0.00 C ATOM 312 CD1 ILE A 19 -13.782 -0.810 6.044 1.00 0.00 C ATOM 0 H ILE A 19 -9.247 -1.399 7.341 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.492 -3.046 8.410 1.00 0.00 H new ATOM 0 HB ILE A 19 -11.154 -1.999 5.612 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.796 -1.067 7.945 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.874 -0.131 6.786 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.362 -3.015 5.239 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -12.132 -4.227 5.670 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.321 -3.696 6.882 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -14.301 0.094 6.361 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -13.503 -0.719 4.994 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -14.440 -1.670 6.172 1.00 0.00 H new ATOM 324 N LYS A 20 -10.523 -5.129 7.545 1.00 0.00 N ATOM 325 CA LYS A 20 -9.832 -6.372 7.247 1.00 0.00 C ATOM 326 C LYS A 20 -10.621 -7.147 6.189 1.00 0.00 C ATOM 327 O LYS A 20 -11.851 -7.152 6.207 1.00 0.00 O ATOM 328 CB LYS A 20 -9.580 -7.165 8.530 1.00 0.00 C ATOM 329 CG LYS A 20 -8.164 -6.922 9.056 1.00 0.00 C ATOM 330 CD LYS A 20 -7.247 -8.104 8.733 1.00 0.00 C ATOM 331 CE LYS A 20 -7.159 -8.334 7.223 1.00 0.00 C ATOM 332 NZ LYS A 20 -5.878 -8.986 6.872 1.00 0.00 N ATOM 0 H LYS A 20 -11.421 -5.242 8.015 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.847 -6.170 6.826 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.308 -6.877 9.289 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.723 -8.228 8.338 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.759 -6.012 8.613 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.195 -6.765 10.134 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.251 -7.916 9.134 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.623 -9.004 9.220 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.992 -8.955 6.895 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.245 -7.382 6.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.934 -9.363 5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.107 -8.290 6.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.691 -9.764 7.536 1.00 0.00 H new ATOM 345 N PHE A 21 -9.881 -7.783 5.294 1.00 0.00 N ATOM 346 CA PHE A 21 -10.496 -8.560 4.231 1.00 0.00 C ATOM 347 C PHE A 21 -9.517 -9.597 3.673 1.00 0.00 C ATOM 348 O PHE A 21 -8.381 -9.693 4.133 1.00 0.00 O ATOM 349 CB PHE A 21 -10.869 -7.578 3.118 1.00 0.00 C ATOM 350 CG PHE A 21 -9.708 -7.220 2.189 1.00 0.00 C ATOM 351 CD1 PHE A 21 -8.909 -6.158 2.477 1.00 0.00 C ATOM 352 CD2 PHE A 21 -9.473 -7.963 1.074 1.00 0.00 C ATOM 353 CE1 PHE A 21 -7.831 -5.824 1.615 1.00 0.00 C ATOM 354 CE2 PHE A 21 -8.396 -7.630 0.212 1.00 0.00 C ATOM 355 CZ PHE A 21 -7.597 -6.568 0.500 1.00 0.00 C ATOM 0 H PHE A 21 -8.861 -7.777 5.283 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.367 -9.091 4.614 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.677 -8.007 2.525 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.255 -6.664 3.569 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -9.094 -5.568 3.362 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -10.107 -8.807 0.845 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.197 -4.980 1.844 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.211 -8.220 -0.673 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.777 -6.315 -0.156 1.00 0.00 H new ATOM 365 N THR A 22 -9.996 -10.346 2.691 1.00 0.00 N ATOM 366 CA THR A 22 -9.179 -11.372 2.066 1.00 0.00 C ATOM 367 C THR A 22 -9.374 -11.359 0.549 1.00 0.00 C ATOM 368 O THR A 22 -10.403 -10.900 0.056 1.00 0.00 O ATOM 369 CB THR A 22 -9.528 -12.714 2.712 1.00 0.00 C ATOM 370 OG1 THR A 22 -8.468 -12.941 3.637 1.00 0.00 O ATOM 371 CG2 THR A 22 -9.421 -13.882 1.729 1.00 0.00 C ATOM 0 H THR A 22 -10.940 -10.263 2.313 1.00 0.00 H new ATOM 0 HA THR A 22 -8.117 -11.184 2.227 1.00 0.00 H new ATOM 0 HB THR A 22 -10.540 -12.670 3.115 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.616 -13.791 4.102 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.679 -14.811 2.238 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.107 -13.721 0.897 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.401 -13.947 1.351 1.00 0.00 H new ATOM 379 N VAL A 23 -8.369 -11.868 -0.150 1.00 0.00 N ATOM 380 CA VAL A 23 -8.418 -11.921 -1.601 1.00 0.00 C ATOM 381 C VAL A 23 -8.127 -13.349 -2.066 1.00 0.00 C ATOM 382 O VAL A 23 -7.145 -13.956 -1.640 1.00 0.00 O ATOM 383 CB VAL A 23 -7.455 -10.890 -2.194 1.00 0.00 C ATOM 384 CG1 VAL A 23 -6.036 -11.098 -1.663 1.00 0.00 C ATOM 385 CG2 VAL A 23 -7.480 -10.933 -3.723 1.00 0.00 C ATOM 0 H VAL A 23 -7.516 -12.247 0.262 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.414 -11.660 -1.960 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.788 -9.900 -1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.371 -10.353 -2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.035 -10.994 -0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.689 -12.096 -1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.787 -10.191 -4.119 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.183 -11.925 -4.064 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.487 -10.714 -4.077 1.00 0.00 H new ATOM 395 N SER A 24 -8.998 -13.844 -2.932 1.00 0.00 N ATOM 396 CA SER A 24 -8.846 -15.190 -3.459 1.00 0.00 C ATOM 397 C SER A 24 -8.637 -15.138 -4.974 1.00 0.00 C ATOM 398 O SER A 24 -9.436 -14.543 -5.695 1.00 0.00 O ATOM 399 CB SER A 24 -10.062 -16.054 -3.121 1.00 0.00 C ATOM 400 OG SER A 24 -10.312 -17.038 -4.120 1.00 0.00 O ATOM 0 H SER A 24 -9.811 -13.338 -3.282 1.00 0.00 H new ATOM 0 HA SER A 24 -7.971 -15.643 -2.993 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.902 -16.545 -2.161 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.940 -15.417 -3.012 1.00 0.00 H new ATOM 0 HG SER A 24 -11.095 -17.570 -3.867 1.00 0.00 H new ATOM 406 N PHE A 25 -7.557 -15.769 -5.411 1.00 0.00 N ATOM 407 CA PHE A 25 -7.232 -15.804 -6.828 1.00 0.00 C ATOM 408 C PHE A 25 -6.201 -16.893 -7.127 1.00 0.00 C ATOM 409 O PHE A 25 -5.332 -17.175 -6.304 1.00 0.00 O ATOM 410 CB PHE A 25 -6.634 -14.441 -7.182 1.00 0.00 C ATOM 411 CG PHE A 25 -5.250 -14.193 -6.579 1.00 0.00 C ATOM 412 CD1 PHE A 25 -5.121 -13.414 -5.471 1.00 0.00 C ATOM 413 CD2 PHE A 25 -4.149 -14.750 -7.151 1.00 0.00 C ATOM 414 CE1 PHE A 25 -3.836 -13.184 -4.911 1.00 0.00 C ATOM 415 CE2 PHE A 25 -2.865 -14.520 -6.592 1.00 0.00 C ATOM 416 CZ PHE A 25 -2.735 -13.742 -5.483 1.00 0.00 C ATOM 0 H PHE A 25 -6.896 -16.260 -4.809 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.128 -16.020 -7.411 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.567 -14.356 -8.267 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.313 -13.659 -6.842 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.995 -12.971 -5.017 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.252 -15.368 -8.031 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.733 -12.566 -4.031 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.991 -14.962 -7.047 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.758 -13.568 -5.057 1.00 0.00 H new ATOM 426 N ASP A 26 -6.331 -17.476 -8.311 1.00 0.00 N ATOM 427 CA ASP A 26 -5.421 -18.528 -8.730 1.00 0.00 C ATOM 428 C ASP A 26 -4.839 -18.177 -10.100 1.00 0.00 C ATOM 429 O ASP A 26 -5.434 -18.488 -11.131 1.00 0.00 O ATOM 430 CB ASP A 26 -6.149 -19.868 -8.855 1.00 0.00 C ATOM 431 CG ASP A 26 -7.519 -19.799 -9.533 1.00 0.00 C ATOM 432 OD1 ASP A 26 -7.647 -20.051 -10.741 1.00 0.00 O ATOM 433 OD2 ASP A 26 -8.495 -19.466 -8.759 1.00 0.00 O ATOM 0 H ASP A 26 -7.052 -17.239 -8.992 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.635 -18.613 -7.980 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -5.517 -20.557 -9.416 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.275 -20.291 -7.858 1.00 0.00 H new ATOM 439 N ALA A 27 -3.681 -17.533 -10.068 1.00 0.00 N ATOM 440 CA ALA A 27 -3.011 -17.136 -11.295 1.00 0.00 C ATOM 441 C ALA A 27 -1.673 -16.481 -10.950 1.00 0.00 C ATOM 442 O ALA A 27 -0.629 -17.131 -10.996 1.00 0.00 O ATOM 443 CB ALA A 27 -3.925 -16.209 -12.099 1.00 0.00 C ATOM 0 H ALA A 27 -3.190 -17.276 -9.212 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.801 -18.006 -11.917 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.423 -15.911 -13.019 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.850 -16.732 -12.343 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.155 -15.322 -11.508 1.00 0.00 H new ATOM 449 N ALA A 28 -1.745 -15.201 -10.614 1.00 0.00 N ATOM 450 CA ALA A 28 -0.552 -14.451 -10.262 1.00 0.00 C ATOM 451 C ALA A 28 -0.923 -13.347 -9.270 1.00 0.00 C ATOM 452 O ALA A 28 -2.071 -12.907 -9.225 1.00 0.00 O ATOM 453 CB ALA A 28 0.097 -13.898 -11.533 1.00 0.00 C ATOM 0 H ALA A 28 -2.612 -14.665 -10.578 1.00 0.00 H new ATOM 0 HA ALA A 28 0.179 -15.098 -9.777 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.992 -13.335 -11.269 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.368 -14.723 -12.192 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.607 -13.241 -12.045 1.00 0.00 H new ATOM 459 N THR A 29 0.070 -12.931 -8.498 1.00 0.00 N ATOM 460 CA THR A 29 -0.137 -11.887 -7.509 1.00 0.00 C ATOM 461 C THR A 29 -0.208 -10.517 -8.186 1.00 0.00 C ATOM 462 O THR A 29 0.736 -10.103 -8.857 1.00 0.00 O ATOM 463 CB THR A 29 0.980 -11.994 -6.468 1.00 0.00 C ATOM 464 OG1 THR A 29 0.569 -13.068 -5.627 1.00 0.00 O ATOM 465 CG2 THR A 29 1.024 -10.784 -5.532 1.00 0.00 C ATOM 0 H THR A 29 1.021 -13.298 -8.537 1.00 0.00 H new ATOM 0 HA THR A 29 -1.091 -12.011 -6.997 1.00 0.00 H new ATOM 0 HB THR A 29 1.940 -12.097 -6.974 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.237 -13.207 -4.924 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.833 -10.910 -4.813 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.194 -9.879 -6.115 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.076 -10.701 -5.000 1.00 0.00 H new ATOM 473 N PRO A 30 -1.366 -9.835 -7.983 1.00 0.00 N ATOM 474 CA PRO A 30 -1.573 -8.520 -8.566 1.00 0.00 C ATOM 475 C PRO A 30 -0.772 -7.454 -7.814 1.00 0.00 C ATOM 476 O PRO A 30 0.162 -7.777 -7.083 1.00 0.00 O ATOM 477 CB PRO A 30 -3.074 -8.292 -8.500 1.00 0.00 C ATOM 478 CG PRO A 30 -3.600 -9.275 -7.467 1.00 0.00 C ATOM 479 CD PRO A 30 -2.506 -10.295 -7.194 1.00 0.00 C ATOM 0 HA PRO A 30 -1.219 -8.456 -9.595 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.301 -7.265 -8.213 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.538 -8.461 -9.472 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.874 -8.754 -6.549 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.500 -9.769 -7.834 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.261 -10.339 -6.133 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.815 -11.297 -7.492 1.00 0.00 H new ATOM 487 N SER A 31 -1.170 -6.207 -8.019 1.00 0.00 N ATOM 488 CA SER A 31 -0.501 -5.092 -7.370 1.00 0.00 C ATOM 489 C SER A 31 -1.468 -4.383 -6.420 1.00 0.00 C ATOM 490 O SER A 31 -2.659 -4.694 -6.395 1.00 0.00 O ATOM 491 CB SER A 31 0.051 -4.105 -8.401 1.00 0.00 C ATOM 492 OG SER A 31 0.577 -4.769 -9.547 1.00 0.00 O ATOM 0 H SER A 31 -1.947 -5.944 -8.625 1.00 0.00 H new ATOM 0 HA SER A 31 0.339 -5.484 -6.797 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.741 -3.422 -8.709 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.833 -3.500 -7.942 1.00 0.00 H new ATOM 0 HG SER A 31 0.918 -4.105 -10.182 1.00 0.00 H new ATOM 498 N ILE A 32 -0.922 -3.444 -5.662 1.00 0.00 N ATOM 499 CA ILE A 32 -1.721 -2.689 -4.713 1.00 0.00 C ATOM 500 C ILE A 32 -2.767 -1.869 -5.473 1.00 0.00 C ATOM 501 O ILE A 32 -3.961 -1.972 -5.198 1.00 0.00 O ATOM 502 CB ILE A 32 -0.822 -1.848 -3.805 1.00 0.00 C ATOM 503 CG1 ILE A 32 0.412 -2.640 -3.371 1.00 0.00 C ATOM 504 CG2 ILE A 32 -1.606 -1.305 -2.608 1.00 0.00 C ATOM 505 CD1 ILE A 32 1.043 -2.028 -2.118 1.00 0.00 C ATOM 0 H ILE A 32 0.065 -3.189 -5.686 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.263 -3.363 -4.050 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.469 -0.988 -4.375 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.133 -3.675 -3.174 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.142 -2.655 -4.180 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.944 -0.711 -1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.426 -0.681 -2.963 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.008 -2.136 -2.029 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.919 -2.610 -1.830 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.342 -1.001 -2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.318 -2.037 -1.304 1.00 0.00 H new ATOM 517 N LYS A 33 -2.279 -1.073 -6.414 1.00 0.00 N ATOM 518 CA LYS A 33 -3.157 -0.237 -7.214 1.00 0.00 C ATOM 519 C LYS A 33 -4.285 -1.094 -7.791 1.00 0.00 C ATOM 520 O LYS A 33 -5.440 -0.671 -7.817 1.00 0.00 O ATOM 521 CB LYS A 33 -2.354 0.518 -8.277 1.00 0.00 C ATOM 522 CG LYS A 33 -2.764 1.991 -8.328 1.00 0.00 C ATOM 523 CD LYS A 33 -4.101 2.164 -9.051 1.00 0.00 C ATOM 524 CE LYS A 33 -3.887 2.420 -10.544 1.00 0.00 C ATOM 525 NZ LYS A 33 -4.278 3.804 -10.894 1.00 0.00 N ATOM 0 H LYS A 33 -1.288 -0.990 -6.640 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.623 0.529 -6.594 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.289 0.440 -8.057 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.512 0.058 -9.253 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.841 2.386 -7.315 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.993 2.569 -8.838 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.710 1.271 -8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.652 2.995 -8.611 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.841 2.256 -10.801 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.474 1.711 -11.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.126 3.961 -11.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.283 3.949 -10.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.700 4.476 -10.350 1.00 0.00 H new ATOM 538 N ASP A 34 -3.911 -2.284 -8.240 1.00 0.00 N ATOM 539 CA ASP A 34 -4.878 -3.205 -8.815 1.00 0.00 C ATOM 540 C ASP A 34 -5.812 -3.709 -7.713 1.00 0.00 C ATOM 541 O ASP A 34 -6.966 -4.042 -7.978 1.00 0.00 O ATOM 542 CB ASP A 34 -4.182 -4.416 -9.437 1.00 0.00 C ATOM 543 CG ASP A 34 -4.686 -4.809 -10.827 1.00 0.00 C ATOM 544 OD1 ASP A 34 -5.286 -3.992 -11.543 1.00 0.00 O ATOM 545 OD2 ASP A 34 -4.438 -6.026 -11.174 1.00 0.00 O ATOM 0 H ASP A 34 -2.952 -2.631 -8.217 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.434 -2.673 -9.588 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.114 -4.209 -9.500 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.303 -5.269 -8.769 1.00 0.00 H new ATOM 551 N VAL A 35 -5.278 -3.751 -6.502 1.00 0.00 N ATOM 552 CA VAL A 35 -6.049 -4.210 -5.358 1.00 0.00 C ATOM 553 C VAL A 35 -6.967 -3.082 -4.882 1.00 0.00 C ATOM 554 O VAL A 35 -8.126 -3.321 -4.546 1.00 0.00 O ATOM 555 CB VAL A 35 -5.109 -4.719 -4.264 1.00 0.00 C ATOM 556 CG1 VAL A 35 -5.802 -4.707 -2.899 1.00 0.00 C ATOM 557 CG2 VAL A 35 -4.581 -6.114 -4.599 1.00 0.00 C ATOM 0 H VAL A 35 -4.320 -3.475 -6.287 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.685 -5.050 -5.637 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.256 -4.043 -4.213 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.113 -5.073 -2.138 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.106 -3.689 -2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.682 -5.350 -2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.915 -6.452 -3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.417 -6.807 -4.691 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.034 -6.079 -5.541 1.00 0.00 H new ATOM 567 N LYS A 36 -6.415 -1.878 -4.870 1.00 0.00 N ATOM 568 CA LYS A 36 -7.170 -0.714 -4.440 1.00 0.00 C ATOM 569 C LYS A 36 -8.332 -0.478 -5.408 1.00 0.00 C ATOM 570 O LYS A 36 -9.332 0.137 -5.044 1.00 0.00 O ATOM 571 CB LYS A 36 -6.246 0.496 -4.284 1.00 0.00 C ATOM 572 CG LYS A 36 -6.370 1.440 -5.482 1.00 0.00 C ATOM 573 CD LYS A 36 -5.070 2.212 -5.708 1.00 0.00 C ATOM 574 CE LYS A 36 -5.217 3.673 -5.278 1.00 0.00 C ATOM 575 NZ LYS A 36 -4.256 4.529 -6.008 1.00 0.00 N ATOM 0 H LYS A 36 -5.454 -1.683 -5.151 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.604 -0.885 -3.455 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.494 1.031 -3.368 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.214 0.160 -4.187 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.618 0.868 -6.376 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.189 2.140 -5.315 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.262 1.743 -5.146 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.794 2.165 -6.761 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.234 4.014 -5.470 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.048 3.761 -4.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.370 5.517 -5.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.286 4.214 -5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.435 4.459 -7.030 1.00 0.00 H new ATOM 588 N MET A 37 -8.159 -0.981 -6.622 1.00 0.00 N ATOM 589 CA MET A 37 -9.181 -0.835 -7.644 1.00 0.00 C ATOM 590 C MET A 37 -10.502 -1.463 -7.195 1.00 0.00 C ATOM 591 O MET A 37 -11.499 -0.764 -7.020 1.00 0.00 O ATOM 592 CB MET A 37 -8.710 -1.505 -8.936 1.00 0.00 C ATOM 593 CG MET A 37 -7.673 -0.640 -9.656 1.00 0.00 C ATOM 594 SD MET A 37 -8.375 0.039 -11.150 1.00 0.00 S ATOM 595 CE MET A 37 -8.278 -1.390 -12.215 1.00 0.00 C ATOM 0 H MET A 37 -7.327 -1.490 -6.920 1.00 0.00 H new ATOM 0 HA MET A 37 -9.347 0.229 -7.815 1.00 0.00 H new ATOM 0 HB2 MET A 37 -8.280 -2.480 -8.708 1.00 0.00 H new ATOM 0 HB3 MET A 37 -9.563 -1.678 -9.592 1.00 0.00 H new ATOM 0 HG2 MET A 37 -7.342 0.166 -9.001 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.793 -1.237 -9.896 1.00 0.00 H new ATOM 0 HE1 MET A 37 -8.678 -1.139 -13.197 1.00 0.00 H new ATOM 0 HE2 MET A 37 -7.238 -1.699 -12.315 1.00 0.00 H new ATOM 0 HE3 MET A 37 -8.859 -2.205 -11.784 1.00 0.00 H new ATOM 605 N LYS A 38 -10.466 -2.776 -7.019 1.00 0.00 N ATOM 606 CA LYS A 38 -11.647 -3.507 -6.594 1.00 0.00 C ATOM 607 C LYS A 38 -11.993 -3.116 -5.155 1.00 0.00 C ATOM 608 O LYS A 38 -13.166 -3.008 -4.803 1.00 0.00 O ATOM 609 CB LYS A 38 -11.447 -5.011 -6.791 1.00 0.00 C ATOM 610 CG LYS A 38 -10.306 -5.531 -5.914 1.00 0.00 C ATOM 611 CD LYS A 38 -8.989 -5.567 -6.691 1.00 0.00 C ATOM 612 CE LYS A 38 -8.161 -6.796 -6.314 1.00 0.00 C ATOM 613 NZ LYS A 38 -8.873 -8.037 -6.694 1.00 0.00 N ATOM 0 H LYS A 38 -9.637 -3.352 -7.163 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.503 -3.239 -7.213 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.368 -5.539 -6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.229 -5.219 -7.839 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.197 -4.893 -5.037 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.547 -6.531 -5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.195 -5.578 -7.761 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.417 -4.662 -6.485 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.193 -6.757 -6.814 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.966 -6.795 -5.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.073 -8.598 -5.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.767 -7.794 -7.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.280 -8.593 -7.342 1.00 0.00 H new ATOM 626 N LEU A 39 -10.949 -2.914 -4.364 1.00 0.00 N ATOM 627 CA LEU A 39 -11.128 -2.537 -2.972 1.00 0.00 C ATOM 628 C LEU A 39 -11.938 -1.241 -2.899 1.00 0.00 C ATOM 629 O LEU A 39 -12.697 -1.031 -1.954 1.00 0.00 O ATOM 630 CB LEU A 39 -9.775 -2.457 -2.261 1.00 0.00 C ATOM 631 CG LEU A 39 -9.209 -3.783 -1.748 1.00 0.00 C ATOM 632 CD1 LEU A 39 -7.943 -3.553 -0.920 1.00 0.00 C ATOM 633 CD2 LEU A 39 -10.267 -4.567 -0.970 1.00 0.00 C ATOM 0 H LEU A 39 -9.977 -3.004 -4.660 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.697 -3.300 -2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.051 -2.017 -2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.870 -1.774 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.927 -4.390 -2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.560 -4.511 -0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.188 -3.066 -1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.178 -2.919 -0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.838 -5.505 -0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.603 -3.977 -0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.115 -4.778 -1.621 1.00 0.00 H new ATOM 645 N VAL A 40 -11.750 -0.405 -3.910 1.00 0.00 N ATOM 646 CA VAL A 40 -12.453 0.864 -3.972 1.00 0.00 C ATOM 647 C VAL A 40 -13.944 0.606 -4.199 1.00 0.00 C ATOM 648 O VAL A 40 -14.790 1.260 -3.592 1.00 0.00 O ATOM 649 CB VAL A 40 -11.830 1.757 -5.047 1.00 0.00 C ATOM 650 CG1 VAL A 40 -12.817 2.832 -5.508 1.00 0.00 C ATOM 651 CG2 VAL A 40 -10.526 2.385 -4.552 1.00 0.00 C ATOM 0 H VAL A 40 -11.121 -0.582 -4.693 1.00 0.00 H new ATOM 0 HA VAL A 40 -12.356 1.400 -3.028 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.593 1.130 -5.906 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.349 3.452 -6.272 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.706 2.356 -5.922 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -13.100 3.454 -4.659 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.105 3.015 -5.336 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.726 2.991 -3.668 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.816 1.598 -4.298 1.00 0.00 H new ATOM 661 N ALA A 41 -14.219 -0.348 -5.076 1.00 0.00 N ATOM 662 CA ALA A 41 -15.593 -0.701 -5.392 1.00 0.00 C ATOM 663 C ALA A 41 -16.192 -1.492 -4.227 1.00 0.00 C ATOM 664 O ALA A 41 -17.407 -1.496 -4.034 1.00 0.00 O ATOM 665 CB ALA A 41 -15.630 -1.482 -6.707 1.00 0.00 C ATOM 0 H ALA A 41 -13.514 -0.888 -5.578 1.00 0.00 H new ATOM 0 HA ALA A 41 -16.198 0.195 -5.528 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -16.660 -1.747 -6.944 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.220 -0.866 -7.508 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -15.036 -2.390 -6.608 1.00 0.00 H new ATOM 671 N VAL A 42 -15.311 -2.144 -3.481 1.00 0.00 N ATOM 672 CA VAL A 42 -15.738 -2.936 -2.341 1.00 0.00 C ATOM 673 C VAL A 42 -15.949 -2.017 -1.137 1.00 0.00 C ATOM 674 O VAL A 42 -16.994 -2.065 -0.490 1.00 0.00 O ATOM 675 CB VAL A 42 -14.726 -4.052 -2.072 1.00 0.00 C ATOM 676 CG1 VAL A 42 -15.011 -4.738 -0.734 1.00 0.00 C ATOM 677 CG2 VAL A 42 -14.711 -5.066 -3.216 1.00 0.00 C ATOM 0 H VAL A 42 -14.304 -2.139 -3.644 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.691 -3.422 -2.549 1.00 0.00 H new ATOM 0 HB VAL A 42 -13.736 -3.600 -2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.278 -5.527 -0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.947 -4.006 0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.012 -5.170 -0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.983 -5.848 -2.999 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.701 -5.510 -3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.438 -4.564 -4.144 1.00 0.00 H new ATOM 687 N LEU A 43 -14.941 -1.200 -0.872 1.00 0.00 N ATOM 688 CA LEU A 43 -15.003 -0.271 0.243 1.00 0.00 C ATOM 689 C LEU A 43 -15.955 0.875 -0.105 1.00 0.00 C ATOM 690 O LEU A 43 -16.693 1.356 0.754 1.00 0.00 O ATOM 691 CB LEU A 43 -13.598 0.195 0.632 1.00 0.00 C ATOM 692 CG LEU A 43 -12.624 -0.903 1.069 1.00 0.00 C ATOM 693 CD1 LEU A 43 -11.253 -0.316 1.406 1.00 0.00 C ATOM 694 CD2 LEU A 43 -13.201 -1.716 2.230 1.00 0.00 C ATOM 0 H LEU A 43 -14.076 -1.162 -1.411 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.407 -0.765 1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.163 0.722 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.688 0.917 1.443 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.484 -1.589 0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.580 -1.116 1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.845 0.184 0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.355 0.404 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.490 -2.489 2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.388 -1.057 3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.136 -2.182 1.919 1.00 0.00 H new ATOM 706 N ASN A 44 -15.909 1.278 -1.366 1.00 0.00 N ATOM 707 CA ASN A 44 -16.758 2.357 -1.838 1.00 0.00 C ATOM 708 C ASN A 44 -16.277 3.680 -1.238 1.00 0.00 C ATOM 709 O ASN A 44 -16.992 4.309 -0.460 1.00 0.00 O ATOM 710 CB ASN A 44 -18.211 2.144 -1.407 1.00 0.00 C ATOM 711 CG ASN A 44 -19.180 2.741 -2.430 1.00 0.00 C ATOM 712 OD1 ASN A 44 -18.791 3.246 -3.471 1.00 0.00 O ATOM 713 ND2 ASN A 44 -20.459 2.655 -2.078 1.00 0.00 N ATOM 0 H ASN A 44 -15.296 0.876 -2.076 1.00 0.00 H new ATOM 0 HA ASN A 44 -16.703 2.376 -2.926 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -18.408 1.078 -1.294 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -18.376 2.604 -0.433 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -21.183 3.024 -2.694 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -20.716 2.220 -1.192 1.00 0.00 H new ATOM 720 N ALA A 45 -15.068 4.062 -1.622 1.00 0.00 N ATOM 721 CA ALA A 45 -14.483 5.297 -1.131 1.00 0.00 C ATOM 722 C ALA A 45 -13.549 5.873 -2.198 1.00 0.00 C ATOM 723 O ALA A 45 -13.472 5.350 -3.309 1.00 0.00 O ATOM 724 CB ALA A 45 -13.762 5.032 0.192 1.00 0.00 C ATOM 0 H ALA A 45 -14.478 3.538 -2.268 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.259 6.037 -0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.323 5.960 0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.474 4.652 0.925 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.974 4.295 0.036 1.00 0.00 H new ATOM 730 N ASN A 46 -12.862 6.943 -1.823 1.00 0.00 N ATOM 731 CA ASN A 46 -11.937 7.595 -2.734 1.00 0.00 C ATOM 732 C ASN A 46 -10.720 6.694 -2.950 1.00 0.00 C ATOM 733 O ASN A 46 -10.217 6.087 -2.006 1.00 0.00 O ATOM 734 CB ASN A 46 -11.444 8.925 -2.160 1.00 0.00 C ATOM 735 CG ASN A 46 -11.076 9.903 -3.278 1.00 0.00 C ATOM 736 OD1 ASN A 46 -11.301 9.656 -4.452 1.00 0.00 O ATOM 737 ND2 ASN A 46 -10.502 11.023 -2.849 1.00 0.00 N ATOM 0 H ASN A 46 -12.928 7.374 -0.901 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.461 7.779 -3.672 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.218 9.362 -1.530 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.576 8.751 -1.524 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.220 11.740 -3.517 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.343 11.165 -1.851 1.00 0.00 H new ATOM 744 N LYS A 47 -10.281 6.635 -4.199 1.00 0.00 N ATOM 745 CA LYS A 47 -9.132 5.818 -4.551 1.00 0.00 C ATOM 746 C LYS A 47 -7.868 6.679 -4.511 1.00 0.00 C ATOM 747 O LYS A 47 -6.755 6.155 -4.540 1.00 0.00 O ATOM 748 CB LYS A 47 -9.361 5.123 -5.894 1.00 0.00 C ATOM 749 CG LYS A 47 -9.700 6.138 -6.987 1.00 0.00 C ATOM 750 CD LYS A 47 -9.419 5.564 -8.377 1.00 0.00 C ATOM 751 CE LYS A 47 -8.287 6.328 -9.067 1.00 0.00 C ATOM 752 NZ LYS A 47 -8.447 6.274 -10.538 1.00 0.00 N ATOM 0 H LYS A 47 -10.700 7.140 -4.980 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.996 5.018 -3.823 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.468 4.565 -6.175 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.172 4.401 -5.800 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.750 6.421 -6.912 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.114 7.045 -6.839 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.153 4.510 -8.292 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.322 5.617 -8.985 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.284 7.366 -8.733 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.326 5.900 -8.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.671 6.797 -10.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.427 5.283 -10.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.356 6.704 -10.804 1.00 0.00 H new ATOM 765 N GLN A 48 -8.082 7.985 -4.446 1.00 0.00 N ATOM 766 CA GLN A 48 -6.973 8.923 -4.402 1.00 0.00 C ATOM 767 C GLN A 48 -6.277 8.860 -3.041 1.00 0.00 C ATOM 768 O GLN A 48 -5.054 8.955 -2.960 1.00 0.00 O ATOM 769 CB GLN A 48 -7.446 10.345 -4.711 1.00 0.00 C ATOM 770 CG GLN A 48 -7.954 10.454 -6.150 1.00 0.00 C ATOM 771 CD GLN A 48 -8.361 11.891 -6.480 1.00 0.00 C ATOM 772 OE1 GLN A 48 -8.876 12.624 -5.651 1.00 0.00 O ATOM 773 NE2 GLN A 48 -8.105 12.251 -7.734 1.00 0.00 N ATOM 0 H GLN A 48 -9.006 8.416 -4.423 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.252 8.640 -5.169 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.240 10.626 -4.019 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.626 11.046 -4.557 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.177 10.125 -6.840 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.807 9.789 -6.290 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.672 11.588 -8.377 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.342 13.190 -8.053 1.00 0.00 H new ATOM 782 N VAL A 49 -7.088 8.700 -2.005 1.00 0.00 N ATOM 783 CA VAL A 49 -6.566 8.623 -0.651 1.00 0.00 C ATOM 784 C VAL A 49 -6.901 7.253 -0.057 1.00 0.00 C ATOM 785 O VAL A 49 -7.392 7.164 1.067 1.00 0.00 O ATOM 786 CB VAL A 49 -7.105 9.785 0.184 1.00 0.00 C ATOM 787 CG1 VAL A 49 -6.461 11.108 -0.236 1.00 0.00 C ATOM 788 CG2 VAL A 49 -8.631 9.864 0.095 1.00 0.00 C ATOM 0 H VAL A 49 -8.102 8.622 -2.076 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.480 8.719 -0.654 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.840 9.600 1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.862 11.918 0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.382 11.048 -0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.680 11.302 -1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.988 10.699 0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.928 10.013 -0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.066 8.936 0.467 1.00 0.00 H new ATOM 798 N LEU A 50 -6.623 6.221 -0.838 1.00 0.00 N ATOM 799 CA LEU A 50 -6.888 4.860 -0.403 1.00 0.00 C ATOM 800 C LEU A 50 -5.699 3.970 -0.771 1.00 0.00 C ATOM 801 O LEU A 50 -5.171 4.059 -1.878 1.00 0.00 O ATOM 802 CB LEU A 50 -8.222 4.368 -0.969 1.00 0.00 C ATOM 803 CG LEU A 50 -8.558 2.897 -0.711 1.00 0.00 C ATOM 804 CD1 LEU A 50 -10.057 2.713 -0.461 1.00 0.00 C ATOM 805 CD2 LEU A 50 -8.054 2.012 -1.852 1.00 0.00 C ATOM 0 H LEU A 50 -6.217 6.299 -1.770 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.993 4.820 0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.020 4.981 -0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.222 4.537 -2.046 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.040 2.581 0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.269 1.659 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.355 3.297 0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.616 3.051 -1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.305 0.972 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.525 2.319 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.972 2.113 -1.940 1.00 0.00 H new ATOM 817 N VAL A 51 -5.312 3.132 0.180 1.00 0.00 N ATOM 818 CA VAL A 51 -4.195 2.227 -0.030 1.00 0.00 C ATOM 819 C VAL A 51 -4.353 1.009 0.882 1.00 0.00 C ATOM 820 O VAL A 51 -5.145 1.032 1.824 1.00 0.00 O ATOM 821 CB VAL A 51 -2.874 2.968 0.186 1.00 0.00 C ATOM 822 CG1 VAL A 51 -1.800 2.467 -0.782 1.00 0.00 C ATOM 823 CG2 VAL A 51 -3.066 4.481 0.058 1.00 0.00 C ATOM 0 H VAL A 51 -5.752 3.061 1.097 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.185 1.864 -1.058 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.534 2.759 1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.871 3.010 -0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.633 1.402 -0.621 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.129 2.632 -1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.112 4.984 0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.440 4.717 -0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.783 4.821 0.805 1.00 0.00 H new ATOM 833 N VAL A 52 -3.588 -0.027 0.571 1.00 0.00 N ATOM 834 CA VAL A 52 -3.634 -1.252 1.350 1.00 0.00 C ATOM 835 C VAL A 52 -2.515 -1.229 2.395 1.00 0.00 C ATOM 836 O VAL A 52 -1.429 -0.716 2.134 1.00 0.00 O ATOM 837 CB VAL A 52 -3.560 -2.467 0.422 1.00 0.00 C ATOM 838 CG1 VAL A 52 -2.135 -3.020 0.355 1.00 0.00 C ATOM 839 CG2 VAL A 52 -4.550 -3.550 0.857 1.00 0.00 C ATOM 0 H VAL A 52 -2.933 -0.043 -0.210 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.580 -1.327 1.887 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.839 -2.141 -0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.110 -3.883 -0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.463 -2.250 -0.024 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.815 -3.322 1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.477 -4.402 0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.316 -3.871 1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.563 -3.149 0.828 1.00 0.00 H new ATOM 849 N ASP A 53 -2.821 -1.792 3.555 1.00 0.00 N ATOM 850 CA ASP A 53 -1.855 -1.843 4.639 1.00 0.00 C ATOM 851 C ASP A 53 -0.807 -2.915 4.333 1.00 0.00 C ATOM 852 O ASP A 53 0.388 -2.626 4.286 1.00 0.00 O ATOM 853 CB ASP A 53 -2.531 -2.206 5.962 1.00 0.00 C ATOM 854 CG ASP A 53 -2.514 -1.102 7.021 1.00 0.00 C ATOM 855 OD1 ASP A 53 -2.447 0.093 6.698 1.00 0.00 O ATOM 856 OD2 ASP A 53 -2.574 -1.517 8.241 1.00 0.00 O ATOM 0 H ASP A 53 -3.724 -2.216 3.768 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.395 -0.859 4.727 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.567 -2.479 5.760 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.042 -3.090 6.372 1.00 0.00 H new ATOM 862 N THR A 54 -1.293 -4.132 4.134 1.00 0.00 N ATOM 863 CA THR A 54 -0.414 -5.248 3.834 1.00 0.00 C ATOM 864 C THR A 54 -1.231 -6.482 3.446 1.00 0.00 C ATOM 865 O THR A 54 -2.422 -6.561 3.744 1.00 0.00 O ATOM 866 CB THR A 54 0.491 -5.477 5.048 1.00 0.00 C ATOM 867 OG1 THR A 54 1.675 -4.746 4.741 1.00 0.00 O ATOM 868 CG2 THR A 54 0.966 -6.927 5.159 1.00 0.00 C ATOM 0 H THR A 54 -2.284 -4.369 4.175 1.00 0.00 H new ATOM 0 HA THR A 54 0.219 -5.032 2.973 1.00 0.00 H new ATOM 0 HB THR A 54 -0.044 -5.200 5.957 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.516 -3.790 4.886 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.604 -7.035 6.036 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.103 -7.586 5.255 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.530 -7.195 4.265 1.00 0.00 H new ATOM 876 N LEU A 55 -0.559 -7.415 2.785 1.00 0.00 N ATOM 877 CA LEU A 55 -1.209 -8.640 2.354 1.00 0.00 C ATOM 878 C LEU A 55 -0.274 -9.824 2.607 1.00 0.00 C ATOM 879 O LEU A 55 0.902 -9.637 2.914 1.00 0.00 O ATOM 880 CB LEU A 55 -1.667 -8.519 0.899 1.00 0.00 C ATOM 881 CG LEU A 55 -2.925 -9.305 0.524 1.00 0.00 C ATOM 882 CD1 LEU A 55 -4.062 -8.363 0.124 1.00 0.00 C ATOM 883 CD2 LEU A 55 -2.623 -10.335 -0.566 1.00 0.00 C ATOM 0 H LEU A 55 0.428 -7.346 2.538 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.113 -8.817 2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.842 -7.466 0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.852 -8.847 0.254 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.259 -9.856 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.944 -8.948 -0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.299 -7.703 0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.755 -7.766 -0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.534 -10.880 -0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.251 -9.826 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.868 -11.034 -0.207 1.00 0.00 H new ATOM 895 N ASP A 56 -0.832 -11.018 2.468 1.00 0.00 N ATOM 896 CA ASP A 56 -0.063 -12.233 2.678 1.00 0.00 C ATOM 897 C ASP A 56 -0.795 -13.413 2.037 1.00 0.00 C ATOM 898 O ASP A 56 -1.932 -13.713 2.398 1.00 0.00 O ATOM 899 CB ASP A 56 0.098 -12.531 4.170 1.00 0.00 C ATOM 900 CG ASP A 56 1.524 -12.393 4.707 1.00 0.00 C ATOM 901 OD1 ASP A 56 2.052 -11.279 4.838 1.00 0.00 O ATOM 902 OD2 ASP A 56 2.106 -13.507 5.001 1.00 0.00 O ATOM 0 H ASP A 56 -1.808 -11.170 2.212 1.00 0.00 H new ATOM 0 HA ASP A 56 0.920 -12.091 2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.552 -11.860 4.731 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.250 -13.546 4.362 1.00 0.00 H new ATOM 908 N GLN A 57 -0.115 -14.049 1.095 1.00 0.00 N ATOM 909 CA GLN A 57 -0.687 -15.189 0.399 1.00 0.00 C ATOM 910 C GLN A 57 -0.927 -16.341 1.377 1.00 0.00 C ATOM 911 O GLN A 57 -0.159 -16.531 2.318 1.00 0.00 O ATOM 912 CB GLN A 57 0.209 -15.630 -0.760 1.00 0.00 C ATOM 913 CG GLN A 57 -0.538 -16.573 -1.703 1.00 0.00 C ATOM 914 CD GLN A 57 0.381 -17.686 -2.210 1.00 0.00 C ATOM 915 OE1 GLN A 57 1.596 -17.586 -2.176 1.00 0.00 O ATOM 916 NE2 GLN A 57 -0.265 -18.751 -2.679 1.00 0.00 N ATOM 0 H GLN A 57 0.827 -13.797 0.797 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.647 -14.890 -0.022 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.552 -14.755 -1.312 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.096 -16.129 -0.369 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.392 -17.010 -1.185 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.933 -16.010 -2.548 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.285 -18.770 -2.679 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.260 -19.548 -3.039 1.00 0.00 H new ATOM 925 N ILE A 58 -1.995 -17.081 1.118 1.00 0.00 N ATOM 926 CA ILE A 58 -2.346 -18.210 1.963 1.00 0.00 C ATOM 927 C ILE A 58 -1.711 -19.481 1.397 1.00 0.00 C ATOM 928 O ILE A 58 -1.809 -19.749 0.200 1.00 0.00 O ATOM 929 CB ILE A 58 -3.864 -18.303 2.130 1.00 0.00 C ATOM 930 CG1 ILE A 58 -4.444 -16.972 2.613 1.00 0.00 C ATOM 931 CG2 ILE A 58 -4.243 -19.461 3.054 1.00 0.00 C ATOM 932 CD1 ILE A 58 -3.699 -16.464 3.849 1.00 0.00 C ATOM 0 H ILE A 58 -2.629 -16.921 0.335 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.946 -18.073 2.968 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.303 -18.512 1.155 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.379 -16.232 1.815 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.501 -17.096 2.847 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.327 -19.505 3.156 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.880 -20.398 2.631 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.792 -19.307 4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.132 -15.517 4.171 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.787 -17.195 4.653 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.647 -16.318 3.605 1.00 0.00 H new ATOM 944 N PHE A 59 -1.075 -20.233 2.284 1.00 0.00 N ATOM 945 CA PHE A 59 -0.424 -21.470 1.888 1.00 0.00 C ATOM 946 C PHE A 59 -1.442 -22.604 1.749 1.00 0.00 C ATOM 947 O PHE A 59 -1.260 -23.510 0.937 1.00 0.00 O ATOM 948 CB PHE A 59 0.571 -21.827 2.994 1.00 0.00 C ATOM 949 CG PHE A 59 1.628 -22.850 2.574 1.00 0.00 C ATOM 950 CD1 PHE A 59 2.526 -22.539 1.602 1.00 0.00 C ATOM 951 CD2 PHE A 59 1.668 -24.070 3.173 1.00 0.00 C ATOM 952 CE1 PHE A 59 3.508 -23.489 1.212 1.00 0.00 C ATOM 953 CE2 PHE A 59 2.649 -25.020 2.784 1.00 0.00 C ATOM 954 CZ PHE A 59 3.548 -24.709 1.811 1.00 0.00 C ATOM 0 H PHE A 59 -0.997 -20.009 3.276 1.00 0.00 H new ATOM 0 HA PHE A 59 0.069 -21.339 0.925 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.072 -20.917 3.325 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.022 -22.218 3.850 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.493 -21.570 1.126 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.954 -24.316 3.945 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.222 -23.242 0.440 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.682 -25.989 3.260 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.294 -25.432 1.514 1.00 0.00 H new ATOM 964 N GLY A 60 -2.490 -22.517 2.554 1.00 0.00 N ATOM 965 CA GLY A 60 -3.537 -23.525 2.531 1.00 0.00 C ATOM 966 C GLY A 60 -4.082 -23.717 1.114 1.00 0.00 C ATOM 967 O GLY A 60 -4.155 -24.842 0.620 1.00 0.00 O ATOM 0 H GLY A 60 -2.637 -21.764 3.226 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.145 -24.471 2.905 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.346 -23.229 3.199 1.00 0.00 H new ATOM 971 N LYS A 61 -4.452 -22.602 0.501 1.00 0.00 N ATOM 972 CA LYS A 61 -4.989 -22.633 -0.849 1.00 0.00 C ATOM 973 C LYS A 61 -4.475 -21.419 -1.626 1.00 0.00 C ATOM 974 O LYS A 61 -3.417 -20.877 -1.309 1.00 0.00 O ATOM 975 CB LYS A 61 -6.514 -22.742 -0.816 1.00 0.00 C ATOM 976 CG LYS A 61 -7.148 -21.425 -0.363 1.00 0.00 C ATOM 977 CD LYS A 61 -8.647 -21.404 -0.670 1.00 0.00 C ATOM 978 CE LYS A 61 -9.462 -21.852 0.544 1.00 0.00 C ATOM 979 NZ LYS A 61 -10.787 -21.194 0.552 1.00 0.00 N ATOM 0 H LYS A 61 -4.390 -21.672 0.914 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.641 -23.520 -1.378 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.885 -23.007 -1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.810 -23.544 -0.140 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.990 -21.291 0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.659 -20.590 -0.865 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.948 -20.398 -0.963 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.858 -22.059 -1.516 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.587 -22.935 0.525 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.924 -21.609 1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.440 -21.735 1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.692 -20.228 0.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.162 -21.156 -0.417 1.00 0.00 H new ATOM 992 N LEU A 62 -5.248 -21.027 -2.628 1.00 0.00 N ATOM 993 CA LEU A 62 -4.885 -19.887 -3.451 1.00 0.00 C ATOM 994 C LEU A 62 -5.523 -18.622 -2.875 1.00 0.00 C ATOM 995 O LEU A 62 -5.996 -17.765 -3.621 1.00 0.00 O ATOM 996 CB LEU A 62 -5.247 -20.146 -4.914 1.00 0.00 C ATOM 997 CG LEU A 62 -4.345 -21.128 -5.665 1.00 0.00 C ATOM 998 CD1 LEU A 62 -5.171 -22.084 -6.527 1.00 0.00 C ATOM 999 CD2 LEU A 62 -3.288 -20.385 -6.486 1.00 0.00 C ATOM 0 H LEU A 62 -6.125 -21.479 -2.888 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.806 -19.735 -3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.270 -20.520 -4.954 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.235 -19.194 -5.445 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.815 -21.734 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.505 -22.771 -7.049 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.851 -22.651 -5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.746 -21.512 -7.255 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.661 -21.106 -7.010 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.780 -19.738 -7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.670 -19.781 -5.822 1.00 0.00 H new ATOM 1011 N GLU A 63 -5.517 -18.544 -1.552 1.00 0.00 N ATOM 1012 CA GLU A 63 -6.090 -17.398 -0.867 1.00 0.00 C ATOM 1013 C GLU A 63 -4.992 -16.404 -0.484 1.00 0.00 C ATOM 1014 O GLU A 63 -3.807 -16.728 -0.550 1.00 0.00 O ATOM 1015 CB GLU A 63 -6.885 -17.837 0.364 1.00 0.00 C ATOM 1016 CG GLU A 63 -7.982 -16.824 0.698 1.00 0.00 C ATOM 1017 CD GLU A 63 -9.352 -17.502 0.772 1.00 0.00 C ATOM 1018 OE1 GLU A 63 -10.226 -17.225 -0.061 1.00 0.00 O ATOM 1019 OE2 GLU A 63 -9.490 -18.347 1.738 1.00 0.00 O ATOM 0 H GLU A 63 -5.124 -19.256 -0.936 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.781 -16.901 -1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.331 -18.815 0.184 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.213 -17.945 1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.759 -16.342 1.650 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.001 -16.040 -0.059 1.00 0.00 H new ATOM 1027 N ALA A 64 -5.425 -15.214 -0.094 1.00 0.00 N ATOM 1028 CA ALA A 64 -4.493 -14.171 0.299 1.00 0.00 C ATOM 1029 C ALA A 64 -5.194 -13.197 1.247 1.00 0.00 C ATOM 1030 O ALA A 64 -6.193 -12.579 0.880 1.00 0.00 O ATOM 1031 CB ALA A 64 -3.946 -13.478 -0.951 1.00 0.00 C ATOM 0 H ALA A 64 -6.409 -14.949 -0.042 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.644 -14.596 0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.247 -12.695 -0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.432 -14.208 -1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.770 -13.036 -1.512 1.00 0.00 H new ATOM 1037 N GLU A 65 -4.644 -13.088 2.446 1.00 0.00 N ATOM 1038 CA GLU A 65 -5.205 -12.200 3.450 1.00 0.00 C ATOM 1039 C GLU A 65 -4.386 -10.911 3.534 1.00 0.00 C ATOM 1040 O GLU A 65 -3.159 -10.943 3.440 1.00 0.00 O ATOM 1041 CB GLU A 65 -5.283 -12.891 4.813 1.00 0.00 C ATOM 1042 CG GLU A 65 -6.198 -12.119 5.766 1.00 0.00 C ATOM 1043 CD GLU A 65 -5.633 -12.121 7.188 1.00 0.00 C ATOM 1044 OE1 GLU A 65 -4.445 -11.825 7.384 1.00 0.00 O ATOM 1045 OE2 GLU A 65 -6.476 -12.443 8.110 1.00 0.00 O ATOM 0 H GLU A 65 -3.815 -13.600 2.746 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.222 -11.943 3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.656 -13.908 4.689 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.285 -12.968 5.244 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.310 -11.093 5.417 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.192 -12.567 5.765 1.00 0.00 H new ATOM 1053 N GLY A 66 -5.096 -9.806 3.711 1.00 0.00 N ATOM 1054 CA GLY A 66 -4.449 -8.509 3.809 1.00 0.00 C ATOM 1055 C GLY A 66 -5.361 -7.493 4.500 1.00 0.00 C ATOM 1056 O GLY A 66 -6.560 -7.726 4.643 1.00 0.00 O ATOM 0 H GLY A 66 -6.113 -9.783 3.789 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.517 -8.605 4.366 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.190 -8.152 2.812 1.00 0.00 H new ATOM 1060 N TYR A 67 -4.758 -6.386 4.910 1.00 0.00 N ATOM 1061 CA TYR A 67 -5.501 -5.334 5.582 1.00 0.00 C ATOM 1062 C TYR A 67 -5.560 -4.070 4.722 1.00 0.00 C ATOM 1063 O TYR A 67 -4.565 -3.685 4.108 1.00 0.00 O ATOM 1064 CB TYR A 67 -4.728 -5.026 6.866 1.00 0.00 C ATOM 1065 CG TYR A 67 -5.610 -4.551 8.024 1.00 0.00 C ATOM 1066 CD1 TYR A 67 -5.612 -5.242 9.218 1.00 0.00 C ATOM 1067 CD2 TYR A 67 -6.402 -3.431 7.872 1.00 0.00 C ATOM 1068 CE1 TYR A 67 -6.441 -4.795 10.307 1.00 0.00 C ATOM 1069 CE2 TYR A 67 -7.230 -2.983 8.961 1.00 0.00 C ATOM 1070 CZ TYR A 67 -7.209 -3.687 10.125 1.00 0.00 C ATOM 1071 OH TYR A 67 -7.992 -3.265 11.153 1.00 0.00 O ATOM 0 H TYR A 67 -3.763 -6.195 4.789 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.525 -5.652 5.776 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.188 -5.921 7.177 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.981 -4.261 6.654 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.992 -6.118 9.336 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.401 -2.891 6.937 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.453 -5.327 11.247 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.854 -2.108 8.856 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.572 -3.506 12.005 1.00 0.00 H new ATOM 1081 N ALA A 68 -6.736 -3.459 4.705 1.00 0.00 N ATOM 1082 CA ALA A 68 -6.937 -2.246 3.931 1.00 0.00 C ATOM 1083 C ALA A 68 -6.980 -1.043 4.875 1.00 0.00 C ATOM 1084 O ALA A 68 -7.448 -1.155 6.007 1.00 0.00 O ATOM 1085 CB ALA A 68 -8.213 -2.378 3.098 1.00 0.00 C ATOM 0 H ALA A 68 -7.559 -3.781 5.215 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.109 -2.092 3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.364 -1.468 2.517 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.120 -3.228 2.423 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.065 -2.532 3.760 1.00 0.00 H new ATOM 1091 N LYS A 69 -6.484 0.079 4.377 1.00 0.00 N ATOM 1092 CA LYS A 69 -6.459 1.301 5.162 1.00 0.00 C ATOM 1093 C LYS A 69 -6.878 2.479 4.279 1.00 0.00 C ATOM 1094 O LYS A 69 -6.613 2.483 3.078 1.00 0.00 O ATOM 1095 CB LYS A 69 -5.093 1.485 5.824 1.00 0.00 C ATOM 1096 CG LYS A 69 -5.001 2.841 6.526 1.00 0.00 C ATOM 1097 CD LYS A 69 -4.460 3.914 5.578 1.00 0.00 C ATOM 1098 CE LYS A 69 -2.936 3.834 5.473 1.00 0.00 C ATOM 1099 NZ LYS A 69 -2.444 4.715 4.391 1.00 0.00 N ATOM 0 H LYS A 69 -6.096 0.168 3.438 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.178 1.243 5.979 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.924 0.686 6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.307 1.407 5.072 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.986 3.134 6.889 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.352 2.760 7.398 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.903 3.789 4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.752 4.901 5.936 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.484 4.126 6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.632 2.805 5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.554 4.334 4.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.153 4.762 3.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.278 5.669 4.769 1.00 0.00 H new ATOM 1112 N ILE A 70 -7.523 3.449 4.909 1.00 0.00 N ATOM 1113 CA ILE A 70 -7.982 4.629 4.196 1.00 0.00 C ATOM 1114 C ILE A 70 -7.677 5.874 5.031 1.00 0.00 C ATOM 1115 O ILE A 70 -7.848 5.867 6.248 1.00 0.00 O ATOM 1116 CB ILE A 70 -9.458 4.488 3.817 1.00 0.00 C ATOM 1117 CG1 ILE A 70 -9.663 3.341 2.826 1.00 0.00 C ATOM 1118 CG2 ILE A 70 -10.017 5.810 3.288 1.00 0.00 C ATOM 1119 CD1 ILE A 70 -11.082 2.779 2.923 1.00 0.00 C ATOM 0 H ILE A 70 -7.739 3.442 5.906 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.445 4.737 3.253 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.019 4.239 4.718 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.477 3.694 1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.940 2.550 3.026 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.067 5.682 3.026 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.926 6.577 4.057 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -9.457 6.114 2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -11.201 1.965 2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.257 2.404 3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -11.801 3.567 2.699 1.00 0.00 H new ATOM 1131 N TYR A 71 -7.230 6.914 4.342 1.00 0.00 N ATOM 1132 CA TYR A 71 -6.900 8.165 5.004 1.00 0.00 C ATOM 1133 C TYR A 71 -7.848 9.284 4.567 1.00 0.00 C ATOM 1134 O TYR A 71 -8.741 9.063 3.753 1.00 0.00 O ATOM 1135 CB TYR A 71 -5.478 8.513 4.562 1.00 0.00 C ATOM 1136 CG TYR A 71 -4.414 8.262 5.633 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -3.401 7.355 5.398 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -4.467 8.944 6.832 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -2.399 7.118 6.406 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -3.465 8.708 7.839 1.00 0.00 C ATOM 1141 CZ TYR A 71 -2.481 7.806 7.576 1.00 0.00 C ATOM 1142 OH TYR A 71 -1.535 7.582 8.528 1.00 0.00 O ATOM 0 H TYR A 71 -7.089 6.916 3.332 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.987 8.062 6.086 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.231 7.929 3.675 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.446 9.563 4.271 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.359 6.823 4.459 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.260 9.654 7.015 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.601 6.410 6.236 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.494 9.235 8.781 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.677 7.950 8.229 1.00 0.00 H new ATOM 1152 N ASN A 72 -7.618 10.463 5.128 1.00 0.00 N ATOM 1153 CA ASN A 72 -8.439 11.617 4.807 1.00 0.00 C ATOM 1154 C ASN A 72 -7.646 12.567 3.908 1.00 0.00 C ATOM 1155 O ASN A 72 -8.198 13.154 2.978 1.00 0.00 O ATOM 1156 CB ASN A 72 -8.835 12.381 6.071 1.00 0.00 C ATOM 1157 CG ASN A 72 -10.259 12.026 6.504 1.00 0.00 C ATOM 1158 OD1 ASN A 72 -11.231 12.644 6.100 1.00 0.00 O ATOM 1159 ND2 ASN A 72 -10.328 11.001 7.346 1.00 0.00 N ATOM 0 H ASN A 72 -6.875 10.643 5.803 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.339 11.261 4.305 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.138 12.146 6.875 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.763 13.453 5.889 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.234 10.687 7.694 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.475 10.528 7.644 1.00 0.00 H new ATOM 1166 N ASP A 73 -6.363 12.689 4.216 1.00 0.00 N ATOM 1167 CA ASP A 73 -5.489 13.559 3.449 1.00 0.00 C ATOM 1168 C ASP A 73 -4.033 13.154 3.691 1.00 0.00 C ATOM 1169 O ASP A 73 -3.682 12.711 4.784 1.00 0.00 O ATOM 1170 CB ASP A 73 -5.650 15.019 3.875 1.00 0.00 C ATOM 1171 CG ASP A 73 -5.965 15.229 5.357 1.00 0.00 C ATOM 1172 OD1 ASP A 73 -5.281 14.687 6.238 1.00 0.00 O ATOM 1173 OD2 ASP A 73 -6.974 15.997 5.597 1.00 0.00 O ATOM 0 H ASP A 73 -5.908 12.199 4.987 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.755 13.460 2.397 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.732 15.555 3.635 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.447 15.469 3.282 1.00 0.00 H new ATOM 1179 N GLU A 74 -3.225 13.320 2.654 1.00 0.00 N ATOM 1180 CA GLU A 74 -1.815 12.978 2.741 1.00 0.00 C ATOM 1181 C GLU A 74 -1.105 13.902 3.732 1.00 0.00 C ATOM 1182 O GLU A 74 -0.027 13.577 4.227 1.00 0.00 O ATOM 1183 CB GLU A 74 -1.151 13.035 1.365 1.00 0.00 C ATOM 1184 CG GLU A 74 -1.820 12.062 0.392 1.00 0.00 C ATOM 1185 CD GLU A 74 -1.207 12.174 -1.005 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -1.414 13.187 -1.691 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -0.493 11.165 -1.372 1.00 0.00 O ATOM 0 H GLU A 74 -3.520 13.687 1.749 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.731 11.954 3.105 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.212 14.049 0.970 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.093 12.792 1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.711 11.042 0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.889 12.270 0.342 1.00 0.00 H new ATOM 1195 N LYS A 75 -1.738 15.037 3.993 1.00 0.00 N ATOM 1196 CA LYS A 75 -1.179 16.010 4.916 1.00 0.00 C ATOM 1197 C LYS A 75 -1.052 15.378 6.303 1.00 0.00 C ATOM 1198 O LYS A 75 -0.044 15.559 6.982 1.00 0.00 O ATOM 1199 CB LYS A 75 -2.005 17.298 4.901 1.00 0.00 C ATOM 1200 CG LYS A 75 -3.412 17.054 5.451 1.00 0.00 C ATOM 1201 CD LYS A 75 -3.470 17.344 6.952 1.00 0.00 C ATOM 1202 CE LYS A 75 -4.862 17.828 7.363 1.00 0.00 C ATOM 1203 NZ LYS A 75 -4.944 17.987 8.832 1.00 0.00 N ATOM 0 H LYS A 75 -2.632 15.304 3.581 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.175 16.298 4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.505 18.062 5.497 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.070 17.681 3.882 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.127 17.688 4.926 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.705 16.021 5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.215 16.443 7.510 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.728 18.100 7.209 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.081 18.778 6.876 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.615 17.116 7.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.895 18.316 9.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.756 17.073 9.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.239 18.684 9.146 1.00 0.00 H new ATOM 1216 N ALA A 76 -2.091 14.648 6.682 1.00 0.00 N ATOM 1217 CA ALA A 76 -2.108 13.987 7.976 1.00 0.00 C ATOM 1218 C ALA A 76 -1.276 12.705 7.901 1.00 0.00 C ATOM 1219 O ALA A 76 -0.401 12.479 8.735 1.00 0.00 O ATOM 1220 CB ALA A 76 -3.555 13.718 8.393 1.00 0.00 C ATOM 0 H ALA A 76 -2.927 14.500 6.116 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.662 14.626 8.738 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.568 13.222 9.364 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.096 14.662 8.461 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.034 13.078 7.652 1.00 0.00 H new ATOM 1226 N MET A 77 -1.578 11.900 6.893 1.00 0.00 N ATOM 1227 CA MET A 77 -0.869 10.647 6.698 1.00 0.00 C ATOM 1228 C MET A 77 0.640 10.880 6.608 1.00 0.00 C ATOM 1229 O MET A 77 1.419 10.195 7.271 1.00 0.00 O ATOM 1230 CB MET A 77 -1.359 9.977 5.413 1.00 0.00 C ATOM 1231 CG MET A 77 -0.277 9.074 4.818 1.00 0.00 C ATOM 1232 SD MET A 77 -1.019 7.860 3.741 1.00 0.00 S ATOM 1233 CE MET A 77 -1.631 8.926 2.447 1.00 0.00 C ATOM 0 H MET A 77 -2.304 12.091 6.203 1.00 0.00 H new ATOM 0 HA MET A 77 -1.068 10.002 7.553 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.253 9.390 5.623 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.642 10.739 4.687 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.443 9.674 4.262 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.272 8.576 5.617 1.00 0.00 H new ATOM 0 HE1 MET A 77 -2.016 8.319 1.627 1.00 0.00 H new ATOM 0 HE2 MET A 77 -2.430 9.554 2.840 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.821 9.557 2.082 1.00 0.00 H new ATOM 1243 N ALA A 78 1.010 11.847 5.783 1.00 0.00 N ATOM 1244 CA ALA A 78 2.412 12.180 5.597 1.00 0.00 C ATOM 1245 C ALA A 78 3.091 12.289 6.965 1.00 0.00 C ATOM 1246 O ALA A 78 4.133 11.678 7.195 1.00 0.00 O ATOM 1247 CB ALA A 78 2.529 13.471 4.784 1.00 0.00 C ATOM 0 H ALA A 78 0.362 12.412 5.234 1.00 0.00 H new ATOM 0 HA ALA A 78 2.921 11.396 5.036 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.581 13.720 4.645 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.058 13.332 3.811 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.032 14.282 5.316 1.00 0.00 H new ATOM 1253 N THR A 79 2.472 13.072 7.836 1.00 0.00 N ATOM 1254 CA THR A 79 3.003 13.269 9.175 1.00 0.00 C ATOM 1255 C THR A 79 2.746 12.033 10.038 1.00 0.00 C ATOM 1256 O THR A 79 3.683 11.427 10.557 1.00 0.00 O ATOM 1257 CB THR A 79 2.384 14.548 9.745 1.00 0.00 C ATOM 1258 OG1 THR A 79 3.032 15.595 9.029 1.00 0.00 O ATOM 1259 CG2 THR A 79 2.782 14.791 11.202 1.00 0.00 C ATOM 0 H THR A 79 1.608 13.578 7.641 1.00 0.00 H new ATOM 0 HA THR A 79 4.086 13.394 9.157 1.00 0.00 H new ATOM 0 HB THR A 79 1.298 14.491 9.670 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.689 16.461 9.334 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.317 15.710 11.558 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.448 13.954 11.815 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.866 14.882 11.273 1.00 0.00 H new ATOM 1267 N ILE A 80 1.471 11.693 10.165 1.00 0.00 N ATOM 1268 CA ILE A 80 1.079 10.539 10.957 1.00 0.00 C ATOM 1269 C ILE A 80 2.070 9.400 10.714 1.00 0.00 C ATOM 1270 O ILE A 80 2.807 9.009 11.618 1.00 0.00 O ATOM 1271 CB ILE A 80 -0.375 10.162 10.669 1.00 0.00 C ATOM 1272 CG1 ILE A 80 -1.338 11.035 11.476 1.00 0.00 C ATOM 1273 CG2 ILE A 80 -0.613 8.671 10.914 1.00 0.00 C ATOM 1274 CD1 ILE A 80 -2.788 10.597 11.260 1.00 0.00 C ATOM 0 H ILE A 80 0.696 12.197 9.733 1.00 0.00 H new ATOM 0 HA ILE A 80 1.118 10.774 12.021 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.574 10.352 9.614 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.090 10.973 12.536 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.222 12.078 11.182 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.654 8.429 10.702 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.035 8.087 10.261 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.390 8.433 11.954 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.451 11.234 11.845 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.041 10.683 10.203 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.906 9.561 11.578 1.00 0.00 H new ATOM 1286 N GLU A 81 2.057 8.897 9.488 1.00 0.00 N ATOM 1287 CA GLU A 81 2.944 7.809 9.114 1.00 0.00 C ATOM 1288 C GLU A 81 4.270 8.363 8.588 1.00 0.00 C ATOM 1289 O GLU A 81 4.515 9.566 8.657 1.00 0.00 O ATOM 1290 CB GLU A 81 2.285 6.893 8.082 1.00 0.00 C ATOM 1291 CG GLU A 81 2.007 5.510 8.675 1.00 0.00 C ATOM 1292 CD GLU A 81 3.248 4.953 9.373 1.00 0.00 C ATOM 1293 OE1 GLU A 81 3.135 4.347 10.449 1.00 0.00 O ATOM 1294 OE2 GLU A 81 4.362 5.168 8.759 1.00 0.00 O ATOM 0 H GLU A 81 1.445 9.224 8.740 1.00 0.00 H new ATOM 0 HA GLU A 81 3.148 7.211 10.002 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.352 7.339 7.738 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.933 6.796 7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.184 5.574 9.386 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.693 4.828 7.885 1.00 0.00 H new ATOM 1302 N THR A 82 5.090 7.459 8.074 1.00 0.00 N ATOM 1303 CA THR A 82 6.385 7.842 7.537 1.00 0.00 C ATOM 1304 C THR A 82 6.502 7.415 6.073 1.00 0.00 C ATOM 1305 O THR A 82 5.500 7.097 5.433 1.00 0.00 O ATOM 1306 CB THR A 82 7.467 7.239 8.435 1.00 0.00 C ATOM 1307 OG1 THR A 82 7.157 5.848 8.464 1.00 0.00 O ATOM 1308 CG2 THR A 82 7.331 7.681 9.893 1.00 0.00 C ATOM 0 H THR A 82 4.883 6.462 8.018 1.00 0.00 H new ATOM 0 HA THR A 82 6.509 8.925 7.538 1.00 0.00 H new ATOM 0 HB THR A 82 8.450 7.523 8.060 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.810 5.379 9.024 1.00 0.00 H new ATOM 0 HG21 THR A 82 8.123 7.225 10.487 1.00 0.00 H new ATOM 0 HG22 THR A 82 7.412 8.766 9.953 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.361 7.367 10.279 1.00 0.00 H new ATOM 1316 N LYS A 83 7.734 7.420 5.585 1.00 0.00 N ATOM 1317 CA LYS A 83 7.995 7.037 4.207 1.00 0.00 C ATOM 1318 C LYS A 83 7.760 5.533 4.048 1.00 0.00 C ATOM 1319 O LYS A 83 7.445 5.063 2.956 1.00 0.00 O ATOM 1320 CB LYS A 83 9.393 7.488 3.781 1.00 0.00 C ATOM 1321 CG LYS A 83 10.469 6.581 4.379 1.00 0.00 C ATOM 1322 CD LYS A 83 11.098 7.220 5.619 1.00 0.00 C ATOM 1323 CE LYS A 83 12.467 7.819 5.293 1.00 0.00 C ATOM 1324 NZ LYS A 83 12.492 9.263 5.619 1.00 0.00 N ATOM 0 H LYS A 83 8.562 7.683 6.119 1.00 0.00 H new ATOM 0 HA LYS A 83 7.303 7.542 3.533 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.467 7.477 2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.560 8.516 4.101 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.032 5.618 4.644 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.241 6.387 3.634 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.439 7.998 6.005 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.202 6.472 6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.242 7.299 5.857 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.691 7.675 4.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.428 9.654 5.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.766 9.757 5.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.299 9.393 6.633 1.00 0.00 H new ATOM 1337 N SER A 84 7.921 4.820 5.153 1.00 0.00 N ATOM 1338 CA SER A 84 7.731 3.380 5.150 1.00 0.00 C ATOM 1339 C SER A 84 6.329 3.039 4.639 1.00 0.00 C ATOM 1340 O SER A 84 6.168 2.154 3.801 1.00 0.00 O ATOM 1341 CB SER A 84 7.945 2.793 6.546 1.00 0.00 C ATOM 1342 OG SER A 84 8.755 1.621 6.514 1.00 0.00 O ATOM 0 H SER A 84 8.181 5.214 6.057 1.00 0.00 H new ATOM 0 HA SER A 84 8.472 2.938 4.483 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.414 3.541 7.186 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.979 2.554 6.991 1.00 0.00 H new ATOM 0 HG SER A 84 8.870 1.278 7.425 1.00 0.00 H new ATOM 1348 N VAL A 85 5.351 3.760 5.167 1.00 0.00 N ATOM 1349 CA VAL A 85 3.968 3.545 4.775 1.00 0.00 C ATOM 1350 C VAL A 85 3.710 4.229 3.431 1.00 0.00 C ATOM 1351 O VAL A 85 3.112 3.637 2.534 1.00 0.00 O ATOM 1352 CB VAL A 85 3.029 4.030 5.881 1.00 0.00 C ATOM 1353 CG1 VAL A 85 1.688 4.484 5.302 1.00 0.00 C ATOM 1354 CG2 VAL A 85 2.829 2.947 6.944 1.00 0.00 C ATOM 0 H VAL A 85 5.488 4.493 5.863 1.00 0.00 H new ATOM 0 HA VAL A 85 3.771 2.481 4.642 1.00 0.00 H new ATOM 0 HB VAL A 85 3.494 4.890 6.362 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.039 4.824 6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.853 5.302 4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.215 3.650 4.783 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.158 3.317 7.719 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.396 2.060 6.482 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.791 2.692 7.389 1.00 0.00 H new ATOM 1364 N LEU A 86 4.175 5.466 3.334 1.00 0.00 N ATOM 1365 CA LEU A 86 4.003 6.236 2.114 1.00 0.00 C ATOM 1366 C LEU A 86 4.707 5.520 0.959 1.00 0.00 C ATOM 1367 O LEU A 86 4.411 5.775 -0.207 1.00 0.00 O ATOM 1368 CB LEU A 86 4.472 7.678 2.320 1.00 0.00 C ATOM 1369 CG LEU A 86 3.551 8.569 3.157 1.00 0.00 C ATOM 1370 CD1 LEU A 86 2.615 7.727 4.026 1.00 0.00 C ATOM 1371 CD2 LEU A 86 4.360 9.568 3.986 1.00 0.00 C ATOM 0 H LEU A 86 4.671 5.954 4.080 1.00 0.00 H new ATOM 0 HA LEU A 86 2.947 6.302 1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.453 7.656 2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.601 8.140 1.342 1.00 0.00 H new ATOM 0 HG LEU A 86 2.925 9.147 2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.971 8.385 4.610 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.001 7.091 3.389 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.205 7.105 4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.682 10.189 4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.028 9.028 4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.948 10.201 3.321 1.00 0.00 H new ATOM 1383 N GLU A 87 5.626 4.638 1.325 1.00 0.00 N ATOM 1384 CA GLU A 87 6.374 3.883 0.335 1.00 0.00 C ATOM 1385 C GLU A 87 5.432 2.992 -0.477 1.00 0.00 C ATOM 1386 O GLU A 87 5.428 3.044 -1.706 1.00 0.00 O ATOM 1387 CB GLU A 87 7.478 3.056 0.995 1.00 0.00 C ATOM 1388 CG GLU A 87 8.843 3.722 0.821 1.00 0.00 C ATOM 1389 CD GLU A 87 9.820 2.793 0.096 1.00 0.00 C ATOM 1390 OE1 GLU A 87 9.968 2.887 -1.132 1.00 0.00 O ATOM 1391 OE2 GLU A 87 10.437 1.952 0.855 1.00 0.00 O ATOM 0 H GLU A 87 5.869 4.430 2.293 1.00 0.00 H new ATOM 0 HA GLU A 87 6.852 4.588 -0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.261 2.936 2.056 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.499 2.057 0.559 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.730 4.648 0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.247 3.990 1.797 1.00 0.00 H new ATOM 1399 N LYS A 88 4.655 2.196 0.243 1.00 0.00 N ATOM 1400 CA LYS A 88 3.710 1.295 -0.396 1.00 0.00 C ATOM 1401 C LYS A 88 2.687 2.113 -1.186 1.00 0.00 C ATOM 1402 O LYS A 88 2.216 1.677 -2.235 1.00 0.00 O ATOM 1403 CB LYS A 88 3.083 0.357 0.637 1.00 0.00 C ATOM 1404 CG LYS A 88 2.112 1.113 1.545 1.00 0.00 C ATOM 1405 CD LYS A 88 2.503 0.960 3.016 1.00 0.00 C ATOM 1406 CE LYS A 88 2.255 -0.468 3.504 1.00 0.00 C ATOM 1407 NZ LYS A 88 2.403 -0.548 4.975 1.00 0.00 N ATOM 0 H LYS A 88 4.660 2.156 1.262 1.00 0.00 H new ATOM 0 HA LYS A 88 4.221 0.649 -1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.557 -0.451 0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.867 -0.103 1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.104 2.169 1.275 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.100 0.738 1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.555 1.214 3.145 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.929 1.660 3.623 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.254 -0.788 3.216 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.958 -1.149 3.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.976 -1.432 5.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 3.413 -0.531 5.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.924 0.263 5.417 1.00 0.00 H new ATOM 1420 N ASN A 89 2.373 3.283 -0.652 1.00 0.00 N ATOM 1421 CA ASN A 89 1.414 4.166 -1.294 1.00 0.00 C ATOM 1422 C ASN A 89 2.126 4.989 -2.370 1.00 0.00 C ATOM 1423 O ASN A 89 2.845 5.937 -2.058 1.00 0.00 O ATOM 1424 CB ASN A 89 0.799 5.139 -0.286 1.00 0.00 C ATOM 1425 CG ASN A 89 -0.023 6.217 -0.995 1.00 0.00 C ATOM 1426 OD1 ASN A 89 -0.523 6.031 -2.092 1.00 0.00 O ATOM 1427 ND2 ASN A 89 -0.132 7.351 -0.309 1.00 0.00 N ATOM 0 H ASN A 89 2.766 3.641 0.219 1.00 0.00 H new ATOM 0 HA ASN A 89 0.626 3.549 -1.727 1.00 0.00 H new ATOM 0 HB2 ASN A 89 0.164 4.593 0.411 1.00 0.00 H new ATOM 0 HB3 ASN A 89 1.589 5.607 0.302 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -0.660 8.133 -0.697 1.00 0.00 H new ATOM 0 HD22 ASN A 89 0.312 7.439 0.605 1.00 0.00 H new