USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 815 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 108 SER OG : rot 180:sc= 0.907 USER MOD Set 1.2: A 124 THR OG1 : rot -88:sc= 1.22 USER MOD Set 2.1: A 95 CYS SG : rot -169:sc= -2.3 USER MOD Set 2.2: A 97 GLN : amide:sc= -1.54 K(o=-3.8,f=-6.6!) USER MOD Single : A 4 SER OG : rot -7:sc= 0.973! USER MOD Single : A 6 ASN : amide:sc= -2.06 K(o=-2.1,f=-4.2!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -160:sc= -0.989 USER MOD Single : A 14 ASN : amide:sc= -1.03 X(o=-1,f=-0.66) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -1.85! F(o=-2.9,f=-1.9!) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.354 USER MOD Single : A 51 TYR OH : rot -30:sc= -4.01 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN :FLIP amide:sc= 0.142 F(o=-1.7!,f=0.14) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 CYS SG : rot 180:sc= -0.952 USER MOD Single : A 82 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.621) USER MOD Single : A 83 SER OG : rot 121:sc= 0.511 USER MOD Single : A 86 LYS NZ :NH3+ -156:sc= -1.1 (180deg=-1.61!) USER MOD Single : A 89 SER OG : rot 180:sc= -0.137 USER MOD Single : A 91 ASN : amide:sc= -1.65 K(o=-1.6,f=-8.6!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl -139:sc= -4.72! (180deg=-5.36!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.0657 USER MOD Single : A 110 THR OG1 : rot 23:sc= 0.861! USER MOD Single : A 122 THR OG1 : rot 180:sc= -3.51! USER MOD Single : A 123 MET CE :methyl -162:sc= -0.731 (180deg=-1.56!) USER MOD Single : A 130 CYS SG : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 180:sc= -1.69 USER MOD Single : A 134 TYR OH : rot 165:sc= -2.47 USER MOD ----------------------------------------------------------------- ATOM 31 N PHE A 3 -13.241 3.682 5.461 1.00 0.00 N ATOM 32 CA PHE A 3 -12.395 3.370 4.248 1.00 0.00 C ATOM 33 C PHE A 3 -13.133 3.764 2.953 1.00 0.00 C ATOM 34 O PHE A 3 -12.559 4.381 2.077 1.00 0.00 O ATOM 35 CB PHE A 3 -12.012 1.882 4.139 1.00 0.00 C ATOM 36 CG PHE A 3 -11.167 1.432 5.310 1.00 0.00 C ATOM 37 CD1 PHE A 3 -11.767 1.025 6.511 1.00 0.00 C ATOM 38 CD2 PHE A 3 -9.774 1.369 5.174 1.00 0.00 C ATOM 39 CE1 PHE A 3 -10.991 0.554 7.554 1.00 0.00 C ATOM 40 CE2 PHE A 3 -8.993 0.905 6.235 1.00 0.00 C ATOM 41 CZ PHE A 3 -9.608 0.489 7.430 1.00 0.00 C ATOM 0 HA PHE A 3 -11.482 3.953 4.373 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -12.917 1.276 4.090 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.466 1.714 3.211 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -12.840 1.080 6.621 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -9.305 1.678 4.251 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -11.463 0.234 8.471 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -7.918 0.866 6.138 1.00 0.00 H new ATOM 0 HZ PHE A 3 -9.007 0.120 8.248 1.00 0.00 H new ATOM 51 N SER A 4 -14.388 3.394 2.811 1.00 0.00 N ATOM 52 CA SER A 4 -15.156 3.718 1.566 1.00 0.00 C ATOM 53 C SER A 4 -15.025 5.206 1.211 1.00 0.00 C ATOM 54 O SER A 4 -15.425 6.068 1.972 1.00 0.00 O ATOM 55 CB SER A 4 -16.635 3.380 1.789 1.00 0.00 C ATOM 56 OG SER A 4 -17.274 4.443 2.488 1.00 0.00 O ATOM 0 H SER A 4 -14.916 2.876 3.514 1.00 0.00 H new ATOM 0 HA SER A 4 -14.751 3.130 0.743 1.00 0.00 H new ATOM 0 HB2 SER A 4 -17.128 3.215 0.831 1.00 0.00 H new ATOM 0 HB3 SER A 4 -16.724 2.454 2.357 1.00 0.00 H new ATOM 0 HG SER A 4 -16.603 5.099 2.771 1.00 0.00 H new ATOM 62 N GLY A 5 -14.478 5.509 0.060 1.00 0.00 N ATOM 63 CA GLY A 5 -14.331 6.936 -0.345 1.00 0.00 C ATOM 64 C GLY A 5 -13.035 7.124 -1.115 1.00 0.00 C ATOM 65 O GLY A 5 -12.079 6.392 -0.941 1.00 0.00 O ATOM 0 H GLY A 5 -14.128 4.829 -0.614 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -15.178 7.237 -0.962 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.336 7.576 0.537 1.00 0.00 H new ATOM 69 N ASN A 6 -12.994 8.128 -1.940 1.00 0.00 N ATOM 70 CA ASN A 6 -11.758 8.417 -2.707 1.00 0.00 C ATOM 71 C ASN A 6 -10.787 9.054 -1.736 1.00 0.00 C ATOM 72 O ASN A 6 -11.202 9.556 -0.706 1.00 0.00 O ATOM 73 CB ASN A 6 -12.062 9.379 -3.859 1.00 0.00 C ATOM 74 CG ASN A 6 -10.806 9.566 -4.711 1.00 0.00 C ATOM 75 OD1 ASN A 6 -9.865 10.212 -4.295 1.00 0.00 O ATOM 76 ND2 ASN A 6 -10.751 9.023 -5.897 1.00 0.00 N ATOM 0 H ASN A 6 -13.771 8.765 -2.117 1.00 0.00 H new ATOM 0 HA ASN A 6 -11.342 7.507 -3.140 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -12.874 8.986 -4.471 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -12.395 10.340 -3.467 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -9.918 9.141 -6.474 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -11.541 8.481 -6.247 1.00 0.00 H new ATOM 83 N TRP A 7 -9.508 9.011 -2.004 1.00 0.00 N ATOM 84 CA TRP A 7 -8.559 9.598 -1.013 1.00 0.00 C ATOM 85 C TRP A 7 -7.505 10.481 -1.657 1.00 0.00 C ATOM 86 O TRP A 7 -6.820 10.091 -2.584 1.00 0.00 O ATOM 87 CB TRP A 7 -7.875 8.466 -0.282 1.00 0.00 C ATOM 88 CG TRP A 7 -8.894 7.652 0.421 1.00 0.00 C ATOM 89 CD1 TRP A 7 -9.418 6.492 -0.024 1.00 0.00 C ATOM 90 CD2 TRP A 7 -9.535 7.939 1.681 1.00 0.00 C ATOM 91 NE1 TRP A 7 -10.310 6.022 0.921 1.00 0.00 N ATOM 92 CE2 TRP A 7 -10.420 6.888 1.993 1.00 0.00 C ATOM 93 CE3 TRP A 7 -9.415 9.002 2.578 1.00 0.00 C ATOM 94 CZ2 TRP A 7 -11.166 6.892 3.172 1.00 0.00 C ATOM 95 CZ3 TRP A 7 -10.165 9.028 3.753 1.00 0.00 C ATOM 96 CH2 TRP A 7 -11.041 7.971 4.058 1.00 0.00 C ATOM 0 H TRP A 7 -9.088 8.607 -2.841 1.00 0.00 H new ATOM 0 HA TRP A 7 -9.133 10.228 -0.334 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -7.320 7.846 -0.986 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -7.153 8.862 0.432 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -9.180 6.011 -0.961 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -10.824 5.145 0.838 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -8.735 9.812 2.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -11.832 6.073 3.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -10.073 9.863 4.432 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -11.616 7.991 4.972 1.00 0.00 H new ATOM 107 N LYS A 8 -7.358 11.671 -1.136 1.00 0.00 N ATOM 108 CA LYS A 8 -6.333 12.605 -1.666 1.00 0.00 C ATOM 109 C LYS A 8 -5.047 12.391 -0.864 1.00 0.00 C ATOM 110 O LYS A 8 -5.094 11.941 0.268 1.00 0.00 O ATOM 111 CB LYS A 8 -6.785 14.070 -1.498 1.00 0.00 C ATOM 112 CG LYS A 8 -8.316 14.204 -1.614 1.00 0.00 C ATOM 113 CD LYS A 8 -8.910 14.571 -0.247 1.00 0.00 C ATOM 114 CE LYS A 8 -9.317 16.047 -0.238 1.00 0.00 C ATOM 115 NZ LYS A 8 -8.183 16.871 0.266 1.00 0.00 N ATOM 0 H LYS A 8 -7.911 12.035 -0.360 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.179 12.411 -2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.458 14.444 -0.528 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.306 14.689 -2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.569 14.969 -2.348 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.747 13.267 -1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -9.776 13.944 -0.037 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.180 14.381 0.540 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.593 16.365 -1.243 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.194 16.190 0.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.459 17.874 0.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.940 16.573 1.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.358 16.743 -0.354 1.00 0.00 H new ATOM 129 N ILE A 9 -3.905 12.705 -1.426 1.00 0.00 N ATOM 130 CA ILE A 9 -2.631 12.511 -0.668 1.00 0.00 C ATOM 131 C ILE A 9 -2.512 13.585 0.409 1.00 0.00 C ATOM 132 O ILE A 9 -2.939 14.709 0.235 1.00 0.00 O ATOM 133 CB ILE A 9 -1.425 12.582 -1.607 1.00 0.00 C ATOM 134 CG1 ILE A 9 -1.385 13.946 -2.299 1.00 0.00 C ATOM 135 CG2 ILE A 9 -1.528 11.476 -2.655 1.00 0.00 C ATOM 136 CD1 ILE A 9 -0.491 14.893 -1.494 1.00 0.00 C ATOM 0 H ILE A 9 -3.801 13.083 -2.367 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.647 11.525 -0.203 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.511 12.449 -1.029 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.003 13.841 -3.314 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.392 14.357 -2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.669 11.527 -3.324 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.545 10.505 -2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.444 11.605 -3.231 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.459 15.867 -1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.894 15.005 -0.487 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.517 14.482 -1.438 1.00 0.00 H new ATOM 148 N ILE A 10 -1.929 13.231 1.514 1.00 0.00 N ATOM 149 CA ILE A 10 -1.759 14.188 2.633 1.00 0.00 C ATOM 150 C ILE A 10 -0.520 13.749 3.425 1.00 0.00 C ATOM 151 O ILE A 10 -0.510 12.710 4.052 1.00 0.00 O ATOM 152 CB ILE A 10 -3.045 14.172 3.495 1.00 0.00 C ATOM 153 CG1 ILE A 10 -4.124 15.036 2.814 1.00 0.00 C ATOM 154 CG2 ILE A 10 -2.791 14.725 4.907 1.00 0.00 C ATOM 155 CD1 ILE A 10 -5.145 14.141 2.106 1.00 0.00 C ATOM 0 H ILE A 10 -1.555 12.299 1.692 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.609 15.211 2.288 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.374 13.137 3.584 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.626 15.657 3.556 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.660 15.711 2.095 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.717 14.697 5.481 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.037 14.116 5.406 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.439 15.754 4.837 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.903 14.761 1.628 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.639 13.539 1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.620 13.484 2.835 1.00 0.00 H new ATOM 167 N ARG A 11 0.524 14.529 3.368 1.00 0.00 N ATOM 168 CA ARG A 11 1.787 14.184 4.087 1.00 0.00 C ATOM 169 C ARG A 11 2.344 12.868 3.541 1.00 0.00 C ATOM 170 O ARG A 11 2.078 11.802 4.063 1.00 0.00 O ATOM 171 CB ARG A 11 1.516 14.061 5.592 1.00 0.00 C ATOM 172 CG ARG A 11 1.516 15.456 6.228 1.00 0.00 C ATOM 173 CD ARG A 11 0.383 16.300 5.632 1.00 0.00 C ATOM 174 NE ARG A 11 -0.227 17.140 6.702 1.00 0.00 N ATOM 175 CZ ARG A 11 -0.455 18.407 6.486 1.00 0.00 C ATOM 176 NH1 ARG A 11 -1.581 18.785 5.946 1.00 0.00 N ATOM 177 NH2 ARG A 11 0.444 19.295 6.811 1.00 0.00 N ATOM 0 H ARG A 11 0.557 15.405 2.846 1.00 0.00 H new ATOM 0 HA ARG A 11 2.520 14.975 3.928 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.556 13.573 5.761 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.277 13.437 6.059 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.391 15.373 7.308 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.475 15.944 6.055 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.769 16.933 4.833 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.373 15.652 5.188 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.466 16.725 7.602 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.284 18.090 5.692 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.759 19.775 5.777 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.324 18.999 7.233 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.267 20.285 6.643 1.00 0.00 H new ATOM 191 N SER A 12 3.118 12.944 2.487 1.00 0.00 N ATOM 192 CA SER A 12 3.708 11.714 1.883 1.00 0.00 C ATOM 193 C SER A 12 5.189 11.959 1.580 1.00 0.00 C ATOM 194 O SER A 12 5.536 12.847 0.824 1.00 0.00 O ATOM 195 CB SER A 12 2.976 11.387 0.577 1.00 0.00 C ATOM 196 OG SER A 12 3.514 10.192 0.027 1.00 0.00 O ATOM 0 H SER A 12 3.367 13.814 2.017 1.00 0.00 H new ATOM 0 HA SER A 12 3.607 10.882 2.579 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.909 11.267 0.764 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.085 12.209 -0.131 1.00 0.00 H new ATOM 0 HG SER A 12 3.295 10.144 -0.927 1.00 0.00 H new ATOM 202 N GLU A 13 6.063 11.177 2.162 1.00 0.00 N ATOM 203 CA GLU A 13 7.525 11.357 1.911 1.00 0.00 C ATOM 204 C GLU A 13 8.260 10.064 2.274 1.00 0.00 C ATOM 205 O GLU A 13 9.061 10.023 3.191 1.00 0.00 O ATOM 206 CB GLU A 13 8.052 12.514 2.764 1.00 0.00 C ATOM 207 CG GLU A 13 9.350 13.049 2.156 1.00 0.00 C ATOM 208 CD GLU A 13 9.757 14.337 2.874 1.00 0.00 C ATOM 209 OE1 GLU A 13 8.880 15.134 3.163 1.00 0.00 O ATOM 210 OE2 GLU A 13 10.940 14.504 3.123 1.00 0.00 O ATOM 0 H GLU A 13 5.826 10.419 2.802 1.00 0.00 H new ATOM 0 HA GLU A 13 7.694 11.586 0.859 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.308 13.309 2.816 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.229 12.175 3.785 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.141 12.304 2.247 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.213 13.241 1.092 1.00 0.00 H new ATOM 217 N ASN A 14 7.976 9.003 1.565 1.00 0.00 N ATOM 218 CA ASN A 14 8.634 7.695 1.863 1.00 0.00 C ATOM 219 C ASN A 14 9.284 7.099 0.600 1.00 0.00 C ATOM 220 O ASN A 14 10.093 6.204 0.700 1.00 0.00 O ATOM 221 CB ASN A 14 7.578 6.721 2.387 1.00 0.00 C ATOM 222 CG ASN A 14 7.573 6.739 3.918 1.00 0.00 C ATOM 223 OD1 ASN A 14 6.771 7.420 4.526 1.00 0.00 O ATOM 224 ND2 ASN A 14 8.441 6.015 4.570 1.00 0.00 N ATOM 0 H ASN A 14 7.314 8.985 0.789 1.00 0.00 H new ATOM 0 HA ASN A 14 9.414 7.858 2.607 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.594 6.997 2.007 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.787 5.714 2.026 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.446 6.021 5.590 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.114 5.443 4.060 1.00 0.00 H new ATOM 231 N PHE A 15 8.925 7.571 -0.580 1.00 0.00 N ATOM 232 CA PHE A 15 9.499 7.017 -1.856 1.00 0.00 C ATOM 233 C PHE A 15 11.040 6.866 -1.761 1.00 0.00 C ATOM 234 O PHE A 15 11.583 5.812 -2.053 1.00 0.00 O ATOM 235 CB PHE A 15 9.080 7.951 -3.040 1.00 0.00 C ATOM 236 CG PHE A 15 10.226 8.139 -4.016 1.00 0.00 C ATOM 237 CD1 PHE A 15 10.625 7.073 -4.824 1.00 0.00 C ATOM 238 CD2 PHE A 15 10.937 9.344 -4.045 1.00 0.00 C ATOM 239 CE1 PHE A 15 11.723 7.214 -5.666 1.00 0.00 C ATOM 240 CE2 PHE A 15 12.046 9.478 -4.876 1.00 0.00 C ATOM 241 CZ PHE A 15 12.440 8.414 -5.686 1.00 0.00 C ATOM 0 H PHE A 15 8.251 8.325 -0.712 1.00 0.00 H new ATOM 0 HA PHE A 15 9.102 6.017 -2.032 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.222 7.524 -3.559 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.767 8.920 -2.650 1.00 0.00 H new ATOM 0 HD1 PHE A 15 10.082 6.140 -4.795 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.625 10.170 -3.423 1.00 0.00 H new ATOM 0 HE1 PHE A 15 12.022 6.396 -6.305 1.00 0.00 H new ATOM 0 HE2 PHE A 15 12.600 10.405 -4.893 1.00 0.00 H new ATOM 0 HZ PHE A 15 13.301 8.517 -6.330 1.00 0.00 H new ATOM 251 N GLU A 16 11.738 7.904 -1.394 1.00 0.00 N ATOM 252 CA GLU A 16 13.223 7.799 -1.320 1.00 0.00 C ATOM 253 C GLU A 16 13.596 6.890 -0.159 1.00 0.00 C ATOM 254 O GLU A 16 14.540 6.131 -0.244 1.00 0.00 O ATOM 255 CB GLU A 16 13.842 9.187 -1.128 1.00 0.00 C ATOM 256 CG GLU A 16 15.369 9.078 -1.146 1.00 0.00 C ATOM 257 CD GLU A 16 15.977 10.361 -0.576 1.00 0.00 C ATOM 258 OE1 GLU A 16 16.134 11.306 -1.332 1.00 0.00 O ATOM 259 OE2 GLU A 16 16.275 10.377 0.607 1.00 0.00 O ATOM 0 H GLU A 16 11.350 8.813 -1.144 1.00 0.00 H new ATOM 0 HA GLU A 16 13.607 7.379 -2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.506 9.858 -1.919 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.510 9.617 -0.183 1.00 0.00 H new ATOM 0 HG2 GLU A 16 15.690 8.218 -0.558 1.00 0.00 H new ATOM 0 HG3 GLU A 16 15.721 8.917 -2.165 1.00 0.00 H new ATOM 266 N GLU A 17 12.840 6.928 0.908 1.00 0.00 N ATOM 267 CA GLU A 17 13.128 6.022 2.060 1.00 0.00 C ATOM 268 C GLU A 17 13.029 4.565 1.575 1.00 0.00 C ATOM 269 O GLU A 17 13.579 3.662 2.173 1.00 0.00 O ATOM 270 CB GLU A 17 12.100 6.263 3.165 1.00 0.00 C ATOM 271 CG GLU A 17 12.752 6.039 4.530 1.00 0.00 C ATOM 272 CD GLU A 17 12.037 6.886 5.584 1.00 0.00 C ATOM 273 OE1 GLU A 17 12.380 8.049 5.714 1.00 0.00 O ATOM 274 OE2 GLU A 17 11.158 6.357 6.244 1.00 0.00 O ATOM 0 H GLU A 17 12.038 7.546 1.031 1.00 0.00 H new ATOM 0 HA GLU A 17 14.127 6.218 2.450 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.711 7.279 3.099 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.253 5.589 3.041 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.701 4.984 4.800 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.808 6.307 4.489 1.00 0.00 H new ATOM 281 N LEU A 18 12.331 4.344 0.482 1.00 0.00 N ATOM 282 CA LEU A 18 12.185 2.977 -0.071 1.00 0.00 C ATOM 283 C LEU A 18 13.479 2.552 -0.721 1.00 0.00 C ATOM 284 O LEU A 18 13.963 1.463 -0.502 1.00 0.00 O ATOM 285 CB LEU A 18 11.098 2.968 -1.151 1.00 0.00 C ATOM 286 CG LEU A 18 9.843 3.758 -0.755 1.00 0.00 C ATOM 287 CD1 LEU A 18 8.704 3.312 -1.656 1.00 0.00 C ATOM 288 CD2 LEU A 18 9.427 3.531 0.700 1.00 0.00 C ATOM 0 H LEU A 18 11.853 5.071 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 18 11.922 2.300 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.506 3.385 -2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.817 1.937 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 18 10.069 4.819 -0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.798 3.859 -1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.963 3.513 -2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.533 2.244 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.534 4.116 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.215 2.473 0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.235 3.841 1.362 1.00 0.00 H new ATOM 300 N LEU A 19 14.032 3.401 -1.531 1.00 0.00 N ATOM 301 CA LEU A 19 15.302 3.045 -2.211 1.00 0.00 C ATOM 302 C LEU A 19 16.484 3.261 -1.255 1.00 0.00 C ATOM 303 O LEU A 19 17.608 2.907 -1.555 1.00 0.00 O ATOM 304 CB LEU A 19 15.493 3.904 -3.468 1.00 0.00 C ATOM 305 CG LEU A 19 14.232 3.929 -4.369 1.00 0.00 C ATOM 306 CD1 LEU A 19 13.384 2.648 -4.251 1.00 0.00 C ATOM 307 CD2 LEU A 19 13.378 5.145 -4.006 1.00 0.00 C ATOM 0 H LEU A 19 13.661 4.325 -1.752 1.00 0.00 H new ATOM 0 HA LEU A 19 15.259 1.996 -2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.745 4.923 -3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.337 3.520 -4.041 1.00 0.00 H new ATOM 0 HG LEU A 19 14.573 3.990 -5.403 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.515 2.725 -4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 19 13.984 1.786 -4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.052 2.525 -3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.490 5.167 -4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.078 5.080 -2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.957 6.056 -4.162 1.00 0.00 H new ATOM 319 N LYS A 20 16.232 3.835 -0.105 1.00 0.00 N ATOM 320 CA LYS A 20 17.308 4.079 0.883 1.00 0.00 C ATOM 321 C LYS A 20 17.366 2.913 1.873 1.00 0.00 C ATOM 322 O LYS A 20 18.378 2.669 2.502 1.00 0.00 O ATOM 323 CB LYS A 20 16.975 5.359 1.643 1.00 0.00 C ATOM 324 CG LYS A 20 17.620 6.550 0.938 1.00 0.00 C ATOM 325 CD LYS A 20 17.749 7.718 1.917 1.00 0.00 C ATOM 326 CE LYS A 20 19.051 7.579 2.708 1.00 0.00 C ATOM 327 NZ LYS A 20 19.329 8.849 3.437 1.00 0.00 N ATOM 0 H LYS A 20 15.307 4.148 0.189 1.00 0.00 H new ATOM 0 HA LYS A 20 18.269 4.172 0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.895 5.494 1.694 1.00 0.00 H new ATOM 0 HB3 LYS A 20 17.336 5.290 2.669 1.00 0.00 H new ATOM 0 HG2 LYS A 20 18.603 6.271 0.557 1.00 0.00 H new ATOM 0 HG3 LYS A 20 17.018 6.847 0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.740 8.664 1.375 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.897 7.732 2.597 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.973 6.752 3.414 1.00 0.00 H new ATOM 0 HE3 LYS A 20 19.875 7.347 2.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 20.214 8.754 3.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 19.420 9.628 2.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 18.547 9.052 4.091 1.00 0.00 H new ATOM 341 N VAL A 21 16.274 2.208 2.026 1.00 0.00 N ATOM 342 CA VAL A 21 16.232 1.076 2.981 1.00 0.00 C ATOM 343 C VAL A 21 16.432 -0.245 2.245 1.00 0.00 C ATOM 344 O VAL A 21 17.062 -1.151 2.759 1.00 0.00 O ATOM 345 CB VAL A 21 14.887 1.093 3.700 1.00 0.00 C ATOM 346 CG1 VAL A 21 14.755 2.408 4.465 1.00 0.00 C ATOM 347 CG2 VAL A 21 13.742 0.974 2.690 1.00 0.00 C ATOM 0 H VAL A 21 15.404 2.376 1.521 1.00 0.00 H new ATOM 0 HA VAL A 21 17.036 1.177 3.710 1.00 0.00 H new ATOM 0 HB VAL A 21 14.835 0.249 4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.797 2.433 4.984 1.00 0.00 H new ATOM 0 HG12 VAL A 21 15.563 2.489 5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.811 3.243 3.766 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.788 0.988 3.218 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.783 1.811 1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.839 0.038 2.139 1.00 0.00 H new ATOM 357 N LEU A 22 15.944 -0.355 1.033 1.00 0.00 N ATOM 358 CA LEU A 22 16.163 -1.612 0.261 1.00 0.00 C ATOM 359 C LEU A 22 17.671 -1.782 0.049 1.00 0.00 C ATOM 360 O LEU A 22 18.158 -2.868 -0.203 1.00 0.00 O ATOM 361 CB LEU A 22 15.428 -1.548 -1.097 1.00 0.00 C ATOM 362 CG LEU A 22 15.842 -0.346 -1.945 1.00 0.00 C ATOM 363 CD1 LEU A 22 17.251 -0.530 -2.528 1.00 0.00 C ATOM 364 CD2 LEU A 22 14.841 -0.240 -3.096 1.00 0.00 C ATOM 0 H LEU A 22 15.408 0.366 0.551 1.00 0.00 H new ATOM 0 HA LEU A 22 15.764 -2.464 0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.626 -2.464 -1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.353 -1.508 -0.920 1.00 0.00 H new ATOM 0 HG LEU A 22 15.851 0.551 -1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 22 17.514 0.343 -3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 22 17.969 -0.644 -1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.271 -1.420 -3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 22 15.102 0.609 -3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 22 14.869 -1.155 -3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.838 -0.098 -2.694 1.00 0.00 H new ATOM 643 N VAL A 41 -5.825 7.756 -5.067 1.00 0.00 N ATOM 644 CA VAL A 41 -6.416 6.391 -4.957 1.00 0.00 C ATOM 645 C VAL A 41 -7.939 6.511 -4.852 1.00 0.00 C ATOM 646 O VAL A 41 -8.477 7.597 -4.731 1.00 0.00 O ATOM 647 CB VAL A 41 -5.826 5.676 -3.710 1.00 0.00 C ATOM 648 CG1 VAL A 41 -6.583 6.048 -2.428 1.00 0.00 C ATOM 649 CG2 VAL A 41 -5.882 4.154 -3.904 1.00 0.00 C ATOM 0 HA VAL A 41 -6.174 5.800 -5.840 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.792 6.004 -3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.139 5.527 -1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.519 7.124 -2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.629 5.757 -2.526 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.467 3.660 -3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.918 3.842 -4.040 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.301 3.878 -4.784 1.00 0.00 H new ATOM 659 N GLU A 42 -8.625 5.404 -4.858 1.00 0.00 N ATOM 660 CA GLU A 42 -10.101 5.446 -4.715 1.00 0.00 C ATOM 661 C GLU A 42 -10.580 4.125 -4.133 1.00 0.00 C ATOM 662 O GLU A 42 -10.477 3.088 -4.758 1.00 0.00 O ATOM 663 CB GLU A 42 -10.756 5.702 -6.070 1.00 0.00 C ATOM 664 CG GLU A 42 -10.311 4.630 -7.063 1.00 0.00 C ATOM 665 CD GLU A 42 -10.513 5.139 -8.492 1.00 0.00 C ATOM 666 OE1 GLU A 42 -11.646 5.145 -8.943 1.00 0.00 O ATOM 667 OE2 GLU A 42 -9.531 5.515 -9.110 1.00 0.00 O ATOM 0 H GLU A 42 -8.224 4.471 -4.956 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.381 6.259 -4.045 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.841 5.691 -5.969 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.480 6.690 -6.438 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.262 4.381 -6.900 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.884 3.716 -6.907 1.00 0.00 H new ATOM 674 N ILE A 43 -11.089 4.155 -2.931 1.00 0.00 N ATOM 675 CA ILE A 43 -11.553 2.900 -2.292 1.00 0.00 C ATOM 676 C ILE A 43 -13.058 2.749 -2.462 1.00 0.00 C ATOM 677 O ILE A 43 -13.806 3.707 -2.460 1.00 0.00 O ATOM 678 CB ILE A 43 -11.179 2.914 -0.813 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.668 3.138 -0.688 1.00 0.00 C ATOM 680 CG2 ILE A 43 -11.553 1.574 -0.171 1.00 0.00 C ATOM 681 CD1 ILE A 43 -9.271 3.258 0.785 1.00 0.00 C ATOM 0 H ILE A 43 -11.202 4.997 -2.367 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.069 2.050 -2.772 1.00 0.00 H new ATOM 0 HB ILE A 43 -11.718 3.714 -0.305 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.131 2.310 -1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.382 4.043 -1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.284 1.589 0.885 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -12.626 1.410 -0.270 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -11.015 0.768 -0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.195 3.417 0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.795 4.101 1.235 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.540 2.341 1.310 1.00 0.00 H new ATOM 693 N LYS A 44 -13.487 1.536 -2.618 1.00 0.00 N ATOM 694 CA LYS A 44 -14.927 1.242 -2.805 1.00 0.00 C ATOM 695 C LYS A 44 -15.225 -0.016 -2.000 1.00 0.00 C ATOM 696 O LYS A 44 -14.721 -1.079 -2.303 1.00 0.00 O ATOM 697 CB LYS A 44 -15.179 1.009 -4.298 1.00 0.00 C ATOM 698 CG LYS A 44 -14.645 2.207 -5.089 1.00 0.00 C ATOM 699 CD LYS A 44 -15.270 2.235 -6.482 1.00 0.00 C ATOM 700 CE LYS A 44 -14.860 0.987 -7.269 1.00 0.00 C ATOM 701 NZ LYS A 44 -16.015 0.513 -8.082 1.00 0.00 N ATOM 0 H LYS A 44 -12.884 0.714 -2.624 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.567 2.058 -2.470 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.686 0.093 -4.624 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.245 0.881 -4.484 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.873 3.133 -4.561 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.560 2.145 -5.170 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.356 2.282 -6.401 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.951 3.131 -7.014 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.014 1.214 -7.917 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.536 0.202 -6.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.738 -0.335 -8.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.810 0.281 -7.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.304 1.261 -8.744 1.00 0.00 H new ATOM 715 N GLN A 45 -15.983 0.098 -0.941 1.00 0.00 N ATOM 716 CA GLN A 45 -16.228 -1.103 -0.095 1.00 0.00 C ATOM 717 C GLN A 45 -17.680 -1.207 0.366 1.00 0.00 C ATOM 718 O GLN A 45 -18.347 -0.225 0.625 1.00 0.00 O ATOM 719 CB GLN A 45 -15.314 -1.014 1.128 1.00 0.00 C ATOM 720 CG GLN A 45 -15.595 0.281 1.900 1.00 0.00 C ATOM 721 CD GLN A 45 -16.455 -0.028 3.130 1.00 0.00 C ATOM 722 OE1 GLN A 45 -17.670 0.445 3.201 1.00 0.00 O flip ATOM 723 NE2 GLN A 45 -16.016 -0.707 4.036 1.00 0.00 N flip ATOM 0 H GLN A 45 -16.436 0.957 -0.630 1.00 0.00 H new ATOM 0 HA GLN A 45 -16.017 -1.992 -0.690 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.475 -1.876 1.776 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.270 -1.041 0.815 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -14.657 0.744 2.207 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -16.107 0.996 1.256 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -15.067 -1.077 3.982 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -16.596 -0.907 4.851 1.00 0.00 H new ATOM 732 N GLU A 46 -18.150 -2.418 0.489 1.00 0.00 N ATOM 733 CA GLU A 46 -19.534 -2.668 0.957 1.00 0.00 C ATOM 734 C GLU A 46 -19.468 -3.651 2.132 1.00 0.00 C ATOM 735 O GLU A 46 -19.627 -4.845 1.961 1.00 0.00 O ATOM 736 CB GLU A 46 -20.341 -3.285 -0.184 1.00 0.00 C ATOM 737 CG GLU A 46 -21.833 -3.210 0.143 1.00 0.00 C ATOM 738 CD GLU A 46 -22.458 -2.008 -0.568 1.00 0.00 C ATOM 739 OE1 GLU A 46 -21.844 -0.954 -0.557 1.00 0.00 O ATOM 740 OE2 GLU A 46 -23.539 -2.162 -1.112 1.00 0.00 O ATOM 0 H GLU A 46 -17.616 -3.261 0.279 1.00 0.00 H new ATOM 0 HA GLU A 46 -20.010 -1.739 1.271 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -20.136 -2.757 -1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -20.043 -4.323 -0.334 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -22.330 -4.128 -0.170 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -21.975 -3.122 1.220 1.00 0.00 H new ATOM 747 N GLY A 47 -19.206 -3.158 3.318 1.00 0.00 N ATOM 748 CA GLY A 47 -19.100 -4.062 4.504 1.00 0.00 C ATOM 749 C GLY A 47 -17.706 -4.695 4.520 1.00 0.00 C ATOM 750 O GLY A 47 -16.707 -4.005 4.448 1.00 0.00 O ATOM 0 H GLY A 47 -19.061 -2.168 3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.270 -3.501 5.423 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.866 -4.837 4.458 1.00 0.00 H new ATOM 754 N ASP A 48 -17.630 -6.002 4.598 1.00 0.00 N ATOM 755 CA ASP A 48 -16.301 -6.678 4.600 1.00 0.00 C ATOM 756 C ASP A 48 -15.741 -6.757 3.174 1.00 0.00 C ATOM 757 O ASP A 48 -14.640 -7.233 2.968 1.00 0.00 O ATOM 758 CB ASP A 48 -16.449 -8.081 5.169 1.00 0.00 C ATOM 759 CG ASP A 48 -17.513 -8.850 4.382 1.00 0.00 C ATOM 760 OD1 ASP A 48 -17.252 -9.176 3.235 1.00 0.00 O ATOM 761 OD2 ASP A 48 -18.569 -9.099 4.939 1.00 0.00 O ATOM 0 H ASP A 48 -18.433 -6.627 4.660 1.00 0.00 H new ATOM 0 HA ASP A 48 -15.611 -6.102 5.216 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -15.495 -8.606 5.118 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -16.729 -8.029 6.221 1.00 0.00 H new ATOM 766 N THR A 49 -16.467 -6.277 2.191 1.00 0.00 N ATOM 767 CA THR A 49 -15.950 -6.304 0.798 1.00 0.00 C ATOM 768 C THR A 49 -15.212 -4.990 0.545 1.00 0.00 C ATOM 769 O THR A 49 -15.644 -3.944 0.985 1.00 0.00 O ATOM 770 CB THR A 49 -17.124 -6.436 -0.177 1.00 0.00 C ATOM 771 OG1 THR A 49 -17.866 -7.606 0.136 1.00 0.00 O ATOM 772 CG2 THR A 49 -16.603 -6.529 -1.611 1.00 0.00 C ATOM 0 H THR A 49 -17.395 -5.869 2.300 1.00 0.00 H new ATOM 0 HA THR A 49 -15.276 -7.149 0.654 1.00 0.00 H new ATOM 0 HB THR A 49 -17.766 -5.560 -0.088 1.00 0.00 H new ATOM 0 HG1 THR A 49 -18.619 -7.692 -0.485 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.444 -6.623 -2.298 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.036 -5.629 -1.851 1.00 0.00 H new ATOM 0 HG23 THR A 49 -15.957 -7.401 -1.707 1.00 0.00 H new ATOM 780 N PHE A 50 -14.100 -5.030 -0.142 1.00 0.00 N ATOM 781 CA PHE A 50 -13.348 -3.769 -0.399 1.00 0.00 C ATOM 782 C PHE A 50 -12.724 -3.781 -1.795 1.00 0.00 C ATOM 783 O PHE A 50 -12.460 -4.816 -2.376 1.00 0.00 O ATOM 784 CB PHE A 50 -12.231 -3.606 0.637 1.00 0.00 C ATOM 785 CG PHE A 50 -12.827 -3.601 2.019 1.00 0.00 C ATOM 786 CD1 PHE A 50 -13.079 -4.809 2.668 1.00 0.00 C ATOM 787 CD2 PHE A 50 -13.138 -2.391 2.646 1.00 0.00 C ATOM 788 CE1 PHE A 50 -13.647 -4.813 3.939 1.00 0.00 C ATOM 789 CE2 PHE A 50 -13.705 -2.393 3.927 1.00 0.00 C ATOM 790 CZ PHE A 50 -13.962 -3.610 4.571 1.00 0.00 C ATOM 0 H PHE A 50 -13.684 -5.875 -0.533 1.00 0.00 H new ATOM 0 HA PHE A 50 -14.051 -2.939 -0.328 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -11.511 -4.419 0.543 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -11.688 -2.677 0.460 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.833 -5.743 2.184 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.941 -1.456 2.143 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -13.844 -5.751 4.437 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.943 -1.460 4.416 1.00 0.00 H new ATOM 0 HZ PHE A 50 -14.404 -3.617 5.556 1.00 0.00 H new ATOM 800 N TYR A 51 -12.466 -2.615 -2.306 1.00 0.00 N ATOM 801 CA TYR A 51 -11.830 -2.467 -3.640 1.00 0.00 C ATOM 802 C TYR A 51 -10.801 -1.345 -3.472 1.00 0.00 C ATOM 803 O TYR A 51 -10.998 -0.445 -2.676 1.00 0.00 O ATOM 804 CB TYR A 51 -12.933 -2.148 -4.678 1.00 0.00 C ATOM 805 CG TYR A 51 -12.457 -1.262 -5.814 1.00 0.00 C ATOM 806 CD1 TYR A 51 -12.273 0.106 -5.598 1.00 0.00 C ATOM 807 CD2 TYR A 51 -12.259 -1.799 -7.089 1.00 0.00 C ATOM 808 CE1 TYR A 51 -11.896 0.938 -6.648 1.00 0.00 C ATOM 809 CE2 TYR A 51 -11.867 -0.965 -8.144 1.00 0.00 C ATOM 810 CZ TYR A 51 -11.690 0.404 -7.925 1.00 0.00 C ATOM 811 OH TYR A 51 -11.329 1.226 -8.973 1.00 0.00 O ATOM 0 H TYR A 51 -12.676 -1.732 -1.841 1.00 0.00 H new ATOM 0 HA TYR A 51 -11.328 -3.365 -4.001 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -13.313 -3.082 -5.091 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -13.767 -1.661 -4.172 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -12.424 0.520 -4.612 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -12.408 -2.855 -7.261 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -11.762 1.996 -6.477 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.701 -1.380 -9.127 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.704 2.120 -8.832 1.00 0.00 H new ATOM 821 N ILE A 52 -9.698 -1.405 -4.163 1.00 0.00 N ATOM 822 CA ILE A 52 -8.654 -0.345 -3.972 1.00 0.00 C ATOM 823 C ILE A 52 -7.985 -0.019 -5.309 1.00 0.00 C ATOM 824 O ILE A 52 -7.202 -0.797 -5.817 1.00 0.00 O ATOM 825 CB ILE A 52 -7.556 -0.805 -2.971 1.00 0.00 C ATOM 826 CG1 ILE A 52 -8.020 -2.023 -2.130 1.00 0.00 C ATOM 827 CG2 ILE A 52 -7.171 0.362 -2.048 1.00 0.00 C ATOM 828 CD1 ILE A 52 -9.062 -1.629 -1.081 1.00 0.00 C ATOM 0 H ILE A 52 -9.470 -2.129 -4.844 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.154 0.537 -3.572 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.685 -1.117 -3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.439 -2.782 -2.791 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.159 -2.472 -1.635 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.402 0.034 -1.349 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.789 1.189 -2.647 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.049 0.692 -1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -9.360 -2.511 -0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.635 -0.890 -0.403 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -9.935 -1.205 -1.577 1.00 0.00 H new ATOM 840 N LYS A 53 -8.271 1.128 -5.868 1.00 0.00 N ATOM 841 CA LYS A 53 -7.645 1.511 -7.167 1.00 0.00 C ATOM 842 C LYS A 53 -6.592 2.597 -6.935 1.00 0.00 C ATOM 843 O LYS A 53 -6.883 3.778 -7.001 1.00 0.00 O ATOM 844 CB LYS A 53 -8.727 2.039 -8.112 1.00 0.00 C ATOM 845 CG LYS A 53 -8.636 1.324 -9.464 1.00 0.00 C ATOM 846 CD LYS A 53 -9.242 2.210 -10.554 1.00 0.00 C ATOM 847 CE LYS A 53 -8.225 3.273 -10.975 1.00 0.00 C ATOM 848 NZ LYS A 53 -7.358 2.731 -12.059 1.00 0.00 N ATOM 0 H LYS A 53 -8.914 1.818 -5.479 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.165 0.638 -7.610 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.713 1.882 -7.674 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.608 3.114 -8.251 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.595 1.101 -9.699 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.164 0.372 -9.420 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.526 1.603 -11.414 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.150 2.687 -10.186 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.741 4.168 -11.321 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.616 3.567 -10.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.667 3.454 -12.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.855 1.889 -11.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.946 2.472 -12.877 1.00 0.00 H new ATOM 983 N GLU A 62 -5.556 -2.734 -9.163 1.00 0.00 N ATOM 984 CA GLU A 62 -6.480 -2.479 -8.019 1.00 0.00 C ATOM 985 C GLU A 62 -6.953 -3.822 -7.448 1.00 0.00 C ATOM 986 O GLU A 62 -7.283 -4.729 -8.190 1.00 0.00 O ATOM 987 CB GLU A 62 -7.680 -1.631 -8.499 1.00 0.00 C ATOM 988 CG GLU A 62 -8.577 -2.417 -9.468 1.00 0.00 C ATOM 989 CD GLU A 62 -7.854 -2.619 -10.802 1.00 0.00 C ATOM 990 OE1 GLU A 62 -7.210 -1.685 -11.251 1.00 0.00 O ATOM 991 OE2 GLU A 62 -7.957 -3.703 -11.351 1.00 0.00 O ATOM 0 HA GLU A 62 -5.962 -1.926 -7.235 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.267 -1.310 -7.638 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.315 -0.729 -8.990 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.836 -3.383 -9.035 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.512 -1.880 -9.629 1.00 0.00 H new ATOM 998 N ILE A 63 -6.987 -3.964 -6.140 1.00 0.00 N ATOM 999 CA ILE A 63 -7.444 -5.264 -5.560 1.00 0.00 C ATOM 1000 C ILE A 63 -8.937 -5.213 -5.274 1.00 0.00 C ATOM 1001 O ILE A 63 -9.391 -4.601 -4.327 1.00 0.00 O ATOM 1002 CB ILE A 63 -6.679 -5.636 -4.274 1.00 0.00 C ATOM 1003 CG1 ILE A 63 -6.776 -4.512 -3.222 1.00 0.00 C ATOM 1004 CG2 ILE A 63 -5.227 -5.915 -4.635 1.00 0.00 C ATOM 1005 CD1 ILE A 63 -5.855 -4.796 -2.024 1.00 0.00 C ATOM 0 H ILE A 63 -6.723 -3.248 -5.463 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.234 -6.036 -6.300 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.126 -6.527 -3.833 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.504 -3.559 -3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.806 -4.418 -2.879 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.673 -6.180 -3.735 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.181 -6.740 -5.345 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.786 -5.025 -5.084 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.943 -3.988 -1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.145 -5.737 -1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.823 -4.865 -2.367 1.00 0.00 H new ATOM 1017 N ASN A 64 -9.695 -5.897 -6.077 1.00 0.00 N ATOM 1018 CA ASN A 64 -11.166 -5.960 -5.843 1.00 0.00 C ATOM 1019 C ASN A 64 -11.403 -7.250 -5.068 1.00 0.00 C ATOM 1020 O ASN A 64 -11.772 -8.275 -5.610 1.00 0.00 O ATOM 1021 CB ASN A 64 -11.981 -5.954 -7.156 1.00 0.00 C ATOM 1022 CG ASN A 64 -11.234 -6.634 -8.321 1.00 0.00 C ATOM 1023 OD1 ASN A 64 -10.479 -7.680 -8.109 1.00 0.00 O flip ATOM 1024 ND2 ASN A 64 -11.344 -6.198 -9.450 1.00 0.00 N flip ATOM 0 H ASN A 64 -9.362 -6.418 -6.888 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.500 -5.079 -5.295 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -12.931 -6.463 -6.992 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.214 -4.925 -7.430 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.930 -5.382 -9.627 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.850 -6.648 -10.221 1.00 0.00 H new ATOM 1031 N PHE A 65 -11.113 -7.206 -3.803 1.00 0.00 N ATOM 1032 CA PHE A 65 -11.208 -8.423 -2.958 1.00 0.00 C ATOM 1033 C PHE A 65 -12.265 -8.267 -1.857 1.00 0.00 C ATOM 1034 O PHE A 65 -13.102 -7.393 -1.886 1.00 0.00 O ATOM 1035 CB PHE A 65 -9.813 -8.632 -2.318 1.00 0.00 C ATOM 1036 CG PHE A 65 -9.547 -7.540 -1.284 1.00 0.00 C ATOM 1037 CD1 PHE A 65 -9.127 -6.264 -1.694 1.00 0.00 C ATOM 1038 CD2 PHE A 65 -9.761 -7.795 0.080 1.00 0.00 C ATOM 1039 CE1 PHE A 65 -8.921 -5.253 -0.752 1.00 0.00 C ATOM 1040 CE2 PHE A 65 -9.559 -6.783 1.020 1.00 0.00 C ATOM 1041 CZ PHE A 65 -9.140 -5.513 0.607 1.00 0.00 C ATOM 0 H PHE A 65 -10.809 -6.366 -3.311 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.507 -9.276 -3.567 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.763 -9.613 -1.845 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -9.043 -8.611 -3.089 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.963 -6.063 -2.742 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.082 -8.775 0.402 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.594 -4.274 -1.070 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.726 -6.980 2.069 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.985 -4.732 1.337 1.00 0.00 H new ATOM 1051 N LYS A 66 -12.174 -9.117 -0.874 1.00 0.00 N ATOM 1052 CA LYS A 66 -13.077 -9.085 0.291 1.00 0.00 C ATOM 1053 C LYS A 66 -12.210 -9.486 1.474 1.00 0.00 C ATOM 1054 O LYS A 66 -11.620 -10.550 1.464 1.00 0.00 O ATOM 1055 CB LYS A 66 -14.199 -10.101 0.100 1.00 0.00 C ATOM 1056 CG LYS A 66 -15.473 -9.388 -0.359 1.00 0.00 C ATOM 1057 CD LYS A 66 -16.218 -10.266 -1.368 1.00 0.00 C ATOM 1058 CE LYS A 66 -15.412 -10.354 -2.666 1.00 0.00 C ATOM 1059 NZ LYS A 66 -15.531 -11.727 -3.232 1.00 0.00 N ATOM 0 H LYS A 66 -11.478 -9.861 -0.837 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.537 -8.107 0.432 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.904 -10.848 -0.637 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.385 -10.631 1.034 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.113 -9.178 0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -15.222 -8.429 -0.812 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -16.371 -11.263 -0.955 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -17.205 -9.849 -1.569 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -15.778 -9.620 -3.384 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -14.365 -10.118 -2.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.983 -11.788 -4.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.162 -12.418 -2.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.530 -11.935 -3.430 1.00 0.00 H new ATOM 1073 N VAL A 67 -12.081 -8.639 2.469 1.00 0.00 N ATOM 1074 CA VAL A 67 -11.199 -8.969 3.636 1.00 0.00 C ATOM 1075 C VAL A 67 -11.472 -10.399 4.129 1.00 0.00 C ATOM 1076 O VAL A 67 -12.568 -10.914 4.007 1.00 0.00 O ATOM 1077 CB VAL A 67 -11.427 -7.957 4.759 1.00 0.00 C ATOM 1078 CG1 VAL A 67 -10.532 -8.313 5.949 1.00 0.00 C ATOM 1079 CG2 VAL A 67 -11.042 -6.566 4.265 1.00 0.00 C ATOM 0 H VAL A 67 -12.548 -7.734 2.524 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.157 -8.914 3.320 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.475 -7.975 5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.691 -7.594 6.752 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.779 -9.314 6.304 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.487 -8.286 5.640 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.202 -5.840 5.062 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.991 -6.561 3.975 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.657 -6.302 3.404 1.00 0.00 H new ATOM 1089 N GLY A 68 -10.458 -11.047 4.629 1.00 0.00 N ATOM 1090 CA GLY A 68 -10.608 -12.458 5.074 1.00 0.00 C ATOM 1091 C GLY A 68 -10.243 -13.376 3.898 1.00 0.00 C ATOM 1092 O GLY A 68 -10.632 -14.527 3.853 1.00 0.00 O ATOM 0 H GLY A 68 -9.524 -10.655 4.749 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -9.960 -12.658 5.927 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.631 -12.647 5.400 1.00 0.00 H new ATOM 1096 N GLU A 69 -9.496 -12.865 2.940 1.00 0.00 N ATOM 1097 CA GLU A 69 -9.101 -13.684 1.763 1.00 0.00 C ATOM 1098 C GLU A 69 -7.741 -13.203 1.249 1.00 0.00 C ATOM 1099 O GLU A 69 -7.231 -12.180 1.674 1.00 0.00 O ATOM 1100 CB GLU A 69 -10.149 -13.532 0.659 1.00 0.00 C ATOM 1101 CG GLU A 69 -11.337 -14.450 0.952 1.00 0.00 C ATOM 1102 CD GLU A 69 -11.994 -14.873 -0.364 1.00 0.00 C ATOM 1103 OE1 GLU A 69 -11.283 -15.361 -1.227 1.00 0.00 O ATOM 1104 OE2 GLU A 69 -13.195 -14.702 -0.486 1.00 0.00 O ATOM 0 H GLU A 69 -9.145 -11.907 2.932 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.033 -14.733 2.052 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.483 -12.496 0.600 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.713 -13.782 -0.308 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.003 -15.329 1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.061 -13.935 1.583 1.00 0.00 H new ATOM 1111 N GLU A 70 -7.145 -13.943 0.350 1.00 0.00 N ATOM 1112 CA GLU A 70 -5.805 -13.552 -0.185 1.00 0.00 C ATOM 1113 C GLU A 70 -5.860 -13.265 -1.679 1.00 0.00 C ATOM 1114 O GLU A 70 -6.792 -13.629 -2.371 1.00 0.00 O ATOM 1115 CB GLU A 70 -4.810 -14.702 0.008 1.00 0.00 C ATOM 1116 CG GLU A 70 -5.443 -16.029 -0.423 1.00 0.00 C ATOM 1117 CD GLU A 70 -5.953 -16.782 0.808 1.00 0.00 C ATOM 1118 OE1 GLU A 70 -6.740 -16.210 1.545 1.00 0.00 O ATOM 1119 OE2 GLU A 70 -5.548 -17.917 0.994 1.00 0.00 O ATOM 0 H GLU A 70 -7.530 -14.804 -0.038 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.497 -12.657 0.356 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.909 -14.514 -0.576 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.507 -14.758 1.053 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.265 -15.843 -1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.711 -16.636 -0.955 1.00 0.00 H new ATOM 1126 N PHE A 71 -4.809 -12.675 -2.180 1.00 0.00 N ATOM 1127 CA PHE A 71 -4.700 -12.417 -3.637 1.00 0.00 C ATOM 1128 C PHE A 71 -3.438 -13.131 -4.096 1.00 0.00 C ATOM 1129 O PHE A 71 -2.785 -13.801 -3.319 1.00 0.00 O ATOM 1130 CB PHE A 71 -4.554 -10.917 -3.982 1.00 0.00 C ATOM 1131 CG PHE A 71 -5.214 -10.003 -2.969 1.00 0.00 C ATOM 1132 CD1 PHE A 71 -6.448 -10.328 -2.391 1.00 0.00 C ATOM 1133 CD2 PHE A 71 -4.582 -8.799 -2.632 1.00 0.00 C ATOM 1134 CE1 PHE A 71 -7.040 -9.444 -1.474 1.00 0.00 C ATOM 1135 CE2 PHE A 71 -5.178 -7.921 -1.726 1.00 0.00 C ATOM 1136 CZ PHE A 71 -6.400 -8.242 -1.148 1.00 0.00 C ATOM 0 H PHE A 71 -4.011 -12.357 -1.630 1.00 0.00 H new ATOM 0 HA PHE A 71 -5.610 -12.766 -4.126 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -3.495 -10.668 -4.050 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -4.988 -10.733 -4.965 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -6.942 -11.253 -2.649 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.629 -8.549 -3.075 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -7.988 -9.691 -1.021 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.689 -6.992 -1.474 1.00 0.00 H new ATOM 0 HZ PHE A 71 -6.858 -7.562 -0.445 1.00 0.00 H new ATOM 1146 N GLU A 72 -3.077 -12.980 -5.332 1.00 0.00 N ATOM 1147 CA GLU A 72 -1.835 -13.635 -5.824 1.00 0.00 C ATOM 1148 C GLU A 72 -0.947 -12.597 -6.484 1.00 0.00 C ATOM 1149 O GLU A 72 -1.403 -11.557 -6.921 1.00 0.00 O ATOM 1150 CB GLU A 72 -2.164 -14.720 -6.836 1.00 0.00 C ATOM 1151 CG GLU A 72 -3.179 -15.683 -6.231 1.00 0.00 C ATOM 1152 CD GLU A 72 -3.883 -16.455 -7.349 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -4.890 -15.968 -7.835 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -3.403 -17.521 -7.699 1.00 0.00 O ATOM 0 H GLU A 72 -3.585 -12.432 -6.026 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.322 -14.087 -4.975 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.566 -14.275 -7.746 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.258 -15.258 -7.117 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.679 -16.377 -5.555 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.910 -15.132 -5.639 1.00 0.00 H new ATOM 1161 N GLU A 73 0.319 -12.877 -6.554 1.00 0.00 N ATOM 1162 CA GLU A 73 1.262 -11.913 -7.186 1.00 0.00 C ATOM 1163 C GLU A 73 2.592 -12.598 -7.486 1.00 0.00 C ATOM 1164 O GLU A 73 2.735 -13.795 -7.339 1.00 0.00 O ATOM 1165 CB GLU A 73 1.493 -10.736 -6.233 1.00 0.00 C ATOM 1166 CG GLU A 73 1.603 -9.435 -7.034 1.00 0.00 C ATOM 1167 CD GLU A 73 0.932 -8.298 -6.260 1.00 0.00 C ATOM 1168 OE1 GLU A 73 -0.120 -8.536 -5.690 1.00 0.00 O ATOM 1169 OE2 GLU A 73 1.483 -7.209 -6.251 1.00 0.00 O ATOM 0 H GLU A 73 0.746 -13.733 -6.201 1.00 0.00 H new ATOM 0 HA GLU A 73 0.834 -11.552 -8.121 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.671 -10.667 -5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.403 -10.897 -5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.651 -9.196 -7.216 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.129 -9.555 -8.008 1.00 0.00 H new ATOM 1280 N CYS A 81 4.791 -14.468 -5.049 1.00 0.00 N ATOM 1281 CA CYS A 81 4.305 -13.886 -3.764 1.00 0.00 C ATOM 1282 C CYS A 81 2.811 -13.591 -3.829 1.00 0.00 C ATOM 1283 O CYS A 81 2.294 -13.102 -4.813 1.00 0.00 O ATOM 1284 CB CYS A 81 5.064 -12.585 -3.472 1.00 0.00 C ATOM 1285 SG CYS A 81 4.894 -11.447 -4.871 1.00 0.00 S ATOM 0 HA CYS A 81 4.483 -14.611 -2.970 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.674 -12.122 -2.565 1.00 0.00 H new ATOM 0 HB3 CYS A 81 6.117 -12.800 -3.293 1.00 0.00 H new ATOM 0 HG CYS A 81 5.538 -10.347 -4.616 1.00 0.00 H new ATOM 1291 N LYS A 82 2.132 -13.872 -2.757 1.00 0.00 N ATOM 1292 CA LYS A 82 0.673 -13.610 -2.677 1.00 0.00 C ATOM 1293 C LYS A 82 0.435 -12.571 -1.588 1.00 0.00 C ATOM 1294 O LYS A 82 1.365 -11.999 -1.050 1.00 0.00 O ATOM 1295 CB LYS A 82 -0.054 -14.903 -2.318 1.00 0.00 C ATOM 1296 CG LYS A 82 0.511 -15.487 -1.009 1.00 0.00 C ATOM 1297 CD LYS A 82 -0.144 -16.847 -0.695 1.00 0.00 C ATOM 1298 CE LYS A 82 -1.664 -16.773 -0.890 1.00 0.00 C ATOM 1299 NZ LYS A 82 -2.345 -17.648 0.105 1.00 0.00 N ATOM 0 H LYS A 82 2.536 -14.281 -1.915 1.00 0.00 H new ATOM 0 HA LYS A 82 0.299 -13.245 -3.634 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.121 -14.710 -2.208 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.057 -15.627 -3.125 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.591 -15.608 -1.095 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.332 -14.793 -0.188 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.274 -17.616 -1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.083 -17.138 0.331 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.005 -15.744 -0.776 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.926 -17.085 -1.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.201 -18.057 -0.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.702 -18.413 0.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.609 -17.085 0.939 1.00 0.00 H new ATOM 1313 N SER A 83 -0.798 -12.324 -1.267 1.00 0.00 N ATOM 1314 CA SER A 83 -1.110 -11.316 -0.212 1.00 0.00 C ATOM 1315 C SER A 83 -2.329 -11.749 0.587 1.00 0.00 C ATOM 1316 O SER A 83 -2.941 -12.753 0.300 1.00 0.00 O ATOM 1317 CB SER A 83 -1.409 -9.980 -0.881 1.00 0.00 C ATOM 1318 OG SER A 83 -2.380 -10.189 -1.899 1.00 0.00 O ATOM 0 H SER A 83 -1.610 -12.776 -1.688 1.00 0.00 H new ATOM 0 HA SER A 83 -0.256 -11.226 0.460 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.779 -9.264 -0.147 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.499 -9.558 -1.307 1.00 0.00 H new ATOM 0 HG SER A 83 -3.173 -9.645 -1.711 1.00 0.00 H new ATOM 1324 N LEU A 84 -2.689 -10.984 1.584 1.00 0.00 N ATOM 1325 CA LEU A 84 -3.890 -11.343 2.398 1.00 0.00 C ATOM 1326 C LEU A 84 -4.285 -10.178 3.298 1.00 0.00 C ATOM 1327 O LEU A 84 -3.531 -9.762 4.152 1.00 0.00 O ATOM 1328 CB LEU A 84 -3.593 -12.579 3.243 1.00 0.00 C ATOM 1329 CG LEU A 84 -4.807 -13.505 3.216 1.00 0.00 C ATOM 1330 CD1 LEU A 84 -4.359 -14.938 3.482 1.00 0.00 C ATOM 1331 CD2 LEU A 84 -5.810 -13.071 4.283 1.00 0.00 C ATOM 0 H LEU A 84 -2.208 -10.131 1.869 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.719 -11.562 1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.716 -13.097 2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.365 -12.288 4.268 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.282 -13.451 2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.225 -15.599 3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.650 -15.246 2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.881 -14.994 4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.675 -13.734 4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.340 -13.120 5.265 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.132 -12.048 4.086 1.00 0.00 H new ATOM 1343 N VAL A 85 -5.467 -9.652 3.099 1.00 0.00 N ATOM 1344 CA VAL A 85 -5.933 -8.495 3.918 1.00 0.00 C ATOM 1345 C VAL A 85 -6.690 -8.978 5.166 1.00 0.00 C ATOM 1346 O VAL A 85 -7.389 -9.971 5.145 1.00 0.00 O ATOM 1347 CB VAL A 85 -6.843 -7.612 3.043 1.00 0.00 C ATOM 1348 CG1 VAL A 85 -7.543 -6.534 3.887 1.00 0.00 C ATOM 1349 CG2 VAL A 85 -5.991 -6.930 1.971 1.00 0.00 C ATOM 0 H VAL A 85 -6.133 -9.978 2.399 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.073 -7.919 4.259 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.605 -8.243 2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -8.179 -5.925 3.245 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.153 -7.011 4.654 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.794 -5.900 4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.626 -6.302 1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.230 -6.314 2.449 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.509 -7.687 1.353 1.00 0.00 H new ATOM 1359 N LYS A 86 -6.555 -8.244 6.243 1.00 0.00 N ATOM 1360 CA LYS A 86 -7.251 -8.590 7.510 1.00 0.00 C ATOM 1361 C LYS A 86 -7.532 -7.298 8.288 1.00 0.00 C ATOM 1362 O LYS A 86 -7.525 -6.216 7.735 1.00 0.00 O ATOM 1363 CB LYS A 86 -6.355 -9.516 8.338 1.00 0.00 C ATOM 1364 CG LYS A 86 -7.189 -10.630 8.982 1.00 0.00 C ATOM 1365 CD LYS A 86 -7.859 -11.487 7.899 1.00 0.00 C ATOM 1366 CE LYS A 86 -9.364 -11.188 7.844 1.00 0.00 C ATOM 1367 NZ LYS A 86 -10.127 -12.403 8.248 1.00 0.00 N ATOM 0 H LYS A 86 -5.979 -7.404 6.293 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.192 -9.099 7.299 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.584 -9.951 7.702 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.844 -8.942 9.111 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.552 -11.255 9.608 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.948 -10.196 9.633 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.404 -11.282 6.930 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.698 -12.544 8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.605 -10.357 8.507 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.649 -10.885 6.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.084 -12.363 7.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.638 -13.252 7.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.192 -12.443 9.285 1.00 0.00 H new ATOM 1381 N TRP A 87 -7.791 -7.413 9.560 1.00 0.00 N ATOM 1382 CA TRP A 87 -8.090 -6.212 10.396 1.00 0.00 C ATOM 1383 C TRP A 87 -7.172 -6.151 11.612 1.00 0.00 C ATOM 1384 O TRP A 87 -6.306 -6.979 11.812 1.00 0.00 O ATOM 1385 CB TRP A 87 -9.520 -6.301 10.896 1.00 0.00 C ATOM 1386 CG TRP A 87 -10.420 -6.306 9.733 1.00 0.00 C ATOM 1387 CD1 TRP A 87 -10.957 -7.407 9.191 1.00 0.00 C ATOM 1388 CD2 TRP A 87 -10.875 -5.181 8.941 1.00 0.00 C ATOM 1389 NE1 TRP A 87 -11.751 -7.031 8.135 1.00 0.00 N ATOM 1390 CE2 TRP A 87 -11.723 -5.669 7.931 1.00 0.00 C ATOM 1391 CE3 TRP A 87 -10.642 -3.796 9.005 1.00 0.00 C ATOM 1392 CZ2 TRP A 87 -12.323 -4.820 7.010 1.00 0.00 C ATOM 1393 CZ3 TRP A 87 -11.241 -2.934 8.075 1.00 0.00 C ATOM 1394 CH2 TRP A 87 -12.081 -3.447 7.079 1.00 0.00 C ATOM 0 H TRP A 87 -7.809 -8.299 10.065 1.00 0.00 H new ATOM 0 HA TRP A 87 -7.939 -5.323 9.783 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -9.659 -7.206 11.487 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -9.747 -5.457 11.547 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -10.793 -8.420 9.528 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -12.296 -7.682 7.570 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -9.999 -3.394 9.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -12.973 -5.220 6.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -11.054 -1.872 8.127 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -12.541 -2.781 6.365 1.00 0.00 H new ATOM 1405 N GLU A 88 -7.396 -5.168 12.430 1.00 0.00 N ATOM 1406 CA GLU A 88 -6.601 -4.990 13.674 1.00 0.00 C ATOM 1407 C GLU A 88 -7.591 -4.637 14.791 1.00 0.00 C ATOM 1408 O GLU A 88 -7.706 -5.325 15.787 1.00 0.00 O ATOM 1409 CB GLU A 88 -5.568 -3.858 13.437 1.00 0.00 C ATOM 1410 CG GLU A 88 -5.225 -3.090 14.726 1.00 0.00 C ATOM 1411 CD GLU A 88 -4.579 -4.040 15.736 1.00 0.00 C ATOM 1412 OE1 GLU A 88 -5.177 -5.064 16.023 1.00 0.00 O ATOM 1413 OE2 GLU A 88 -3.497 -3.727 16.206 1.00 0.00 O ATOM 0 H GLU A 88 -8.116 -4.460 12.286 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.051 -5.889 13.953 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.656 -4.285 13.019 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.962 -3.161 12.697 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.547 -2.267 14.501 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.128 -2.652 15.151 1.00 0.00 H new ATOM 1420 N SER A 89 -8.301 -3.563 14.606 1.00 0.00 N ATOM 1421 CA SER A 89 -9.298 -3.119 15.615 1.00 0.00 C ATOM 1422 C SER A 89 -10.692 -3.166 14.991 1.00 0.00 C ATOM 1423 O SER A 89 -11.616 -3.739 15.531 1.00 0.00 O ATOM 1424 CB SER A 89 -8.982 -1.679 16.017 1.00 0.00 C ATOM 1425 OG SER A 89 -8.786 -0.901 14.837 1.00 0.00 O ATOM 0 H SER A 89 -8.231 -2.964 13.784 1.00 0.00 H new ATOM 0 HA SER A 89 -9.261 -3.769 16.489 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.798 -1.266 16.610 1.00 0.00 H new ATOM 0 HB3 SER A 89 -8.088 -1.649 16.641 1.00 0.00 H new ATOM 0 HG SER A 89 -8.584 0.025 15.086 1.00 0.00 H new ATOM 1431 N GLU A 90 -10.825 -2.552 13.850 1.00 0.00 N ATOM 1432 CA GLU A 90 -12.128 -2.502 13.115 1.00 0.00 C ATOM 1433 C GLU A 90 -11.977 -1.477 11.995 1.00 0.00 C ATOM 1434 O GLU A 90 -12.474 -1.649 10.901 1.00 0.00 O ATOM 1435 CB GLU A 90 -13.277 -2.075 14.043 1.00 0.00 C ATOM 1436 CG GLU A 90 -12.895 -0.795 14.795 1.00 0.00 C ATOM 1437 CD GLU A 90 -13.438 -0.857 16.225 1.00 0.00 C ATOM 1438 OE1 GLU A 90 -13.057 -1.767 16.943 1.00 0.00 O ATOM 1439 OE2 GLU A 90 -14.226 0.005 16.576 1.00 0.00 O ATOM 0 H GLU A 90 -10.062 -2.066 13.378 1.00 0.00 H new ATOM 0 HA GLU A 90 -12.368 -3.491 12.726 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.183 -1.908 13.460 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.497 -2.872 14.753 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.811 -0.681 14.812 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.299 0.076 14.279 1.00 0.00 H new ATOM 1446 N ASN A 91 -11.250 -0.428 12.267 1.00 0.00 N ATOM 1447 CA ASN A 91 -10.993 0.618 11.241 1.00 0.00 C ATOM 1448 C ASN A 91 -9.523 0.543 10.815 1.00 0.00 C ATOM 1449 O ASN A 91 -9.080 1.319 9.992 1.00 0.00 O ATOM 1450 CB ASN A 91 -11.273 1.994 11.827 1.00 0.00 C ATOM 1451 CG ASN A 91 -12.724 2.087 12.304 1.00 0.00 C ATOM 1452 OD1 ASN A 91 -13.439 1.104 12.331 1.00 0.00 O ATOM 1453 ND2 ASN A 91 -13.193 3.246 12.676 1.00 0.00 N ATOM 0 H ASN A 91 -10.817 -0.250 13.173 1.00 0.00 H new ATOM 0 HA ASN A 91 -11.643 0.454 10.382 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.597 2.186 12.660 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.080 2.761 11.077 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -14.160 3.328 12.990 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.593 4.070 12.653 1.00 0.00 H new ATOM 1460 N LYS A 92 -8.761 -0.385 11.365 1.00 0.00 N ATOM 1461 CA LYS A 92 -7.343 -0.514 10.968 1.00 0.00 C ATOM 1462 C LYS A 92 -7.160 -1.906 10.360 1.00 0.00 C ATOM 1463 O LYS A 92 -7.320 -2.903 11.027 1.00 0.00 O ATOM 1464 CB LYS A 92 -6.453 -0.358 12.199 1.00 0.00 C ATOM 1465 CG LYS A 92 -5.023 -0.071 11.754 1.00 0.00 C ATOM 1466 CD LYS A 92 -4.253 -1.384 11.613 1.00 0.00 C ATOM 1467 CE LYS A 92 -2.803 -1.087 11.227 1.00 0.00 C ATOM 1468 NZ LYS A 92 -1.962 -1.038 12.456 1.00 0.00 N ATOM 0 H LYS A 92 -9.075 -1.051 12.071 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.069 0.255 10.245 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.820 0.454 12.827 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.483 -1.266 12.801 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -5.028 0.462 10.803 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.529 0.575 12.480 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.284 -1.939 12.551 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.721 -2.012 10.855 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.431 -1.856 10.549 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.744 -0.137 10.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.976 -0.836 12.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.313 -0.290 13.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.009 -1.954 12.946 1.00 0.00 H new ATOM 1482 N MET A 93 -6.847 -1.980 9.098 1.00 0.00 N ATOM 1483 CA MET A 93 -6.669 -3.301 8.437 1.00 0.00 C ATOM 1484 C MET A 93 -5.259 -3.435 7.900 1.00 0.00 C ATOM 1485 O MET A 93 -4.557 -2.467 7.679 1.00 0.00 O ATOM 1486 CB MET A 93 -7.661 -3.514 7.278 1.00 0.00 C ATOM 1487 CG MET A 93 -8.047 -2.189 6.607 1.00 0.00 C ATOM 1488 SD MET A 93 -8.300 -2.446 4.832 1.00 0.00 S ATOM 1489 CE MET A 93 -9.500 -3.790 4.975 1.00 0.00 C ATOM 0 H MET A 93 -6.705 -1.173 8.490 1.00 0.00 H new ATOM 0 HA MET A 93 -6.861 -4.059 9.197 1.00 0.00 H new ATOM 0 HB2 MET A 93 -7.218 -4.180 6.538 1.00 0.00 H new ATOM 0 HB3 MET A 93 -8.558 -4.006 7.653 1.00 0.00 H new ATOM 0 HG2 MET A 93 -8.957 -1.794 7.059 1.00 0.00 H new ATOM 0 HG3 MET A 93 -7.264 -1.448 6.768 1.00 0.00 H new ATOM 0 HE1 MET A 93 -9.286 -4.551 4.224 1.00 0.00 H new ATOM 0 HE2 MET A 93 -9.434 -4.232 5.969 1.00 0.00 H new ATOM 0 HE3 MET A 93 -10.505 -3.399 4.818 1.00 0.00 H new ATOM 1499 N VAL A 94 -4.853 -4.648 7.702 1.00 0.00 N ATOM 1500 CA VAL A 94 -3.488 -4.926 7.185 1.00 0.00 C ATOM 1501 C VAL A 94 -3.581 -5.694 5.878 1.00 0.00 C ATOM 1502 O VAL A 94 -4.648 -5.947 5.357 1.00 0.00 O ATOM 1503 CB VAL A 94 -2.727 -5.790 8.193 1.00 0.00 C ATOM 1504 CG1 VAL A 94 -2.278 -4.938 9.374 1.00 0.00 C ATOM 1505 CG2 VAL A 94 -3.643 -6.905 8.685 1.00 0.00 C ATOM 0 H VAL A 94 -5.418 -5.478 7.879 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.971 -3.979 7.028 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.848 -6.219 7.713 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.737 -5.560 10.087 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.625 -4.141 9.020 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.151 -4.503 9.861 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.108 -7.525 9.404 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.521 -6.470 9.163 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.957 -7.518 7.840 1.00 0.00 H new ATOM 1515 N CYS A 95 -2.456 -6.081 5.370 1.00 0.00 N ATOM 1516 CA CYS A 95 -2.411 -6.867 4.116 1.00 0.00 C ATOM 1517 C CYS A 95 -1.024 -7.464 4.014 1.00 0.00 C ATOM 1518 O CYS A 95 -0.179 -6.971 3.298 1.00 0.00 O ATOM 1519 CB CYS A 95 -2.682 -5.972 2.921 1.00 0.00 C ATOM 1520 SG CYS A 95 -2.853 -6.992 1.435 1.00 0.00 S ATOM 0 H CYS A 95 -1.543 -5.882 5.780 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.172 -7.648 4.125 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -3.591 -5.393 3.085 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.868 -5.259 2.794 1.00 0.00 H new ATOM 0 HG CYS A 95 -2.859 -6.228 0.383 1.00 0.00 H new ATOM 1526 N GLU A 96 -0.774 -8.499 4.764 1.00 0.00 N ATOM 1527 CA GLU A 96 0.583 -9.103 4.755 1.00 0.00 C ATOM 1528 C GLU A 96 0.869 -9.777 3.414 1.00 0.00 C ATOM 1529 O GLU A 96 0.288 -10.793 3.080 1.00 0.00 O ATOM 1530 CB GLU A 96 0.711 -10.135 5.873 1.00 0.00 C ATOM 1531 CG GLU A 96 2.172 -10.583 5.963 1.00 0.00 C ATOM 1532 CD GLU A 96 2.291 -11.767 6.924 1.00 0.00 C ATOM 1533 OE1 GLU A 96 1.612 -11.753 7.938 1.00 0.00 O ATOM 1534 OE2 GLU A 96 3.058 -12.669 6.629 1.00 0.00 O ATOM 0 H GLU A 96 -1.449 -8.951 5.381 1.00 0.00 H new ATOM 0 HA GLU A 96 1.307 -8.303 4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.388 -9.706 6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.065 -10.990 5.674 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.537 -10.866 4.976 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.795 -9.758 6.309 1.00 0.00 H new ATOM 1541 N GLN A 97 1.782 -9.226 2.659 1.00 0.00 N ATOM 1542 CA GLN A 97 2.147 -9.825 1.356 1.00 0.00 C ATOM 1543 C GLN A 97 3.461 -10.593 1.530 1.00 0.00 C ATOM 1544 O GLN A 97 4.443 -10.041 1.992 1.00 0.00 O ATOM 1545 CB GLN A 97 2.337 -8.708 0.333 1.00 0.00 C ATOM 1546 CG GLN A 97 1.025 -7.941 0.154 1.00 0.00 C ATOM 1547 CD GLN A 97 0.873 -7.493 -1.304 1.00 0.00 C ATOM 1548 OE1 GLN A 97 1.709 -7.782 -2.139 1.00 0.00 O ATOM 1549 NE2 GLN A 97 -0.172 -6.791 -1.649 1.00 0.00 N ATOM 0 H GLN A 97 2.293 -8.376 2.898 1.00 0.00 H new ATOM 0 HA GLN A 97 1.364 -10.501 1.011 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.123 -8.030 0.664 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.657 -9.127 -0.621 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.183 -8.573 0.438 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.009 -7.073 0.813 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.875 -6.547 -0.952 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.285 -6.487 -2.616 1.00 0.00 H new ATOM 1558 N LYS A 98 3.492 -11.859 1.187 1.00 0.00 N ATOM 1559 CA LYS A 98 4.759 -12.643 1.362 1.00 0.00 C ATOM 1560 C LYS A 98 5.135 -13.354 0.059 1.00 0.00 C ATOM 1561 O LYS A 98 4.329 -13.486 -0.839 1.00 0.00 O ATOM 1562 CB LYS A 98 4.560 -13.685 2.465 1.00 0.00 C ATOM 1563 CG LYS A 98 3.342 -14.551 2.138 1.00 0.00 C ATOM 1564 CD LYS A 98 3.093 -15.539 3.282 1.00 0.00 C ATOM 1565 CE LYS A 98 2.539 -16.855 2.724 1.00 0.00 C ATOM 1566 NZ LYS A 98 1.288 -17.214 3.450 1.00 0.00 N ATOM 0 H LYS A 98 2.706 -12.379 0.798 1.00 0.00 H new ATOM 0 HA LYS A 98 5.562 -11.957 1.634 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.449 -14.309 2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.420 -13.190 3.426 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.465 -13.921 1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.507 -15.092 1.206 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.021 -15.725 3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.389 -15.112 3.996 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.337 -16.754 1.658 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.277 -17.649 2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.911 -18.107 3.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.495 -17.327 4.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.584 -16.459 3.322 1.00 0.00 H new ATOM 1580 N LEU A 99 6.357 -13.829 -0.039 1.00 0.00 N ATOM 1581 CA LEU A 99 6.783 -14.556 -1.282 1.00 0.00 C ATOM 1582 C LEU A 99 6.731 -16.061 -1.028 1.00 0.00 C ATOM 1583 O LEU A 99 7.555 -16.814 -1.509 1.00 0.00 O ATOM 1584 CB LEU A 99 8.197 -14.150 -1.757 1.00 0.00 C ATOM 1585 CG LEU A 99 9.088 -13.749 -0.584 1.00 0.00 C ATOM 1586 CD1 LEU A 99 10.545 -14.098 -0.903 1.00 0.00 C ATOM 1587 CD2 LEU A 99 8.971 -12.241 -0.358 1.00 0.00 C ATOM 0 H LEU A 99 7.073 -13.746 0.682 1.00 0.00 H new ATOM 0 HA LEU A 99 6.091 -14.279 -2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.654 -14.981 -2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 99 8.122 -13.319 -2.459 1.00 0.00 H new ATOM 0 HG LEU A 99 8.773 -14.285 0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.180 -13.811 -0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 99 10.633 -15.171 -1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 99 10.860 -13.561 -1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 99 9.605 -11.948 0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.289 -11.713 -1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.935 -11.986 -0.135 1.00 0.00 H new ATOM 1599 N LEU A 100 5.747 -16.500 -0.283 1.00 0.00 N ATOM 1600 CA LEU A 100 5.596 -17.958 0.008 1.00 0.00 C ATOM 1601 C LEU A 100 6.855 -18.516 0.684 1.00 0.00 C ATOM 1602 O LEU A 100 7.089 -19.711 0.678 1.00 0.00 O ATOM 1603 CB LEU A 100 5.365 -18.703 -1.298 1.00 0.00 C ATOM 1604 CG LEU A 100 4.118 -18.146 -1.987 1.00 0.00 C ATOM 1605 CD1 LEU A 100 4.107 -18.576 -3.455 1.00 0.00 C ATOM 1606 CD2 LEU A 100 2.865 -18.681 -1.287 1.00 0.00 C ATOM 0 H LEU A 100 5.035 -15.904 0.140 1.00 0.00 H new ATOM 0 HA LEU A 100 4.750 -18.092 0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.232 -18.595 -1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.242 -19.769 -1.105 1.00 0.00 H new ATOM 0 HG LEU A 100 4.129 -17.058 -1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.218 -18.178 -3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.997 -18.192 -3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.098 -19.664 -3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.976 -18.284 -1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.854 -19.770 -1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.871 -18.371 -0.242 1.00 0.00 H new ATOM 1618 N LYS A 101 7.659 -17.668 1.261 1.00 0.00 N ATOM 1619 CA LYS A 101 8.903 -18.139 1.940 1.00 0.00 C ATOM 1620 C LYS A 101 9.622 -16.941 2.555 1.00 0.00 C ATOM 1621 O LYS A 101 9.788 -16.852 3.757 1.00 0.00 O ATOM 1622 CB LYS A 101 9.822 -18.812 0.921 1.00 0.00 C ATOM 1623 CG LYS A 101 10.668 -19.877 1.621 1.00 0.00 C ATOM 1624 CD LYS A 101 11.798 -19.201 2.400 1.00 0.00 C ATOM 1625 CE LYS A 101 13.038 -20.098 2.385 1.00 0.00 C ATOM 1626 NZ LYS A 101 13.829 -19.872 3.627 1.00 0.00 N ATOM 0 H LYS A 101 7.508 -16.660 1.293 1.00 0.00 H new ATOM 0 HA LYS A 101 8.643 -18.855 2.720 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.230 -19.267 0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.468 -18.070 0.452 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.046 -20.464 2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.081 -20.569 0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.031 -18.233 1.956 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.484 -19.014 3.427 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.742 -21.145 2.315 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.647 -19.880 1.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.672 -20.481 3.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.123 -18.875 3.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.245 -20.101 4.457 1.00 0.00 H new ATOM 1640 N GLY A 102 10.042 -16.021 1.733 1.00 0.00 N ATOM 1641 CA GLY A 102 10.750 -14.813 2.244 1.00 0.00 C ATOM 1642 C GLY A 102 12.253 -15.077 2.308 1.00 0.00 C ATOM 1643 O GLY A 102 12.693 -16.134 2.718 1.00 0.00 O ATOM 0 H GLY A 102 9.924 -16.054 0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.549 -13.961 1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.375 -14.553 3.234 1.00 0.00 H new ATOM 1647 N GLU A 103 13.038 -14.110 1.918 1.00 0.00 N ATOM 1648 CA GLU A 103 14.519 -14.268 1.963 1.00 0.00 C ATOM 1649 C GLU A 103 15.081 -13.277 2.981 1.00 0.00 C ATOM 1650 O GLU A 103 15.967 -13.595 3.752 1.00 0.00 O ATOM 1651 CB GLU A 103 15.122 -14.000 0.579 1.00 0.00 C ATOM 1652 CG GLU A 103 14.622 -12.658 0.036 1.00 0.00 C ATOM 1653 CD GLU A 103 15.227 -12.411 -1.347 1.00 0.00 C ATOM 1654 OE1 GLU A 103 14.687 -12.931 -2.310 1.00 0.00 O ATOM 1655 OE2 GLU A 103 16.221 -11.707 -1.420 1.00 0.00 O ATOM 0 H GLU A 103 12.713 -13.209 1.567 1.00 0.00 H new ATOM 0 HA GLU A 103 14.774 -15.287 2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 103 16.210 -13.992 0.644 1.00 0.00 H new ATOM 0 HB3 GLU A 103 14.849 -14.802 -0.106 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.534 -12.661 -0.027 1.00 0.00 H new ATOM 0 HG3 GLU A 103 14.900 -11.852 0.716 1.00 0.00 H new ATOM 1662 N GLY A 104 14.550 -12.084 2.996 1.00 0.00 N ATOM 1663 CA GLY A 104 15.012 -11.057 3.965 1.00 0.00 C ATOM 1664 C GLY A 104 13.797 -10.219 4.398 1.00 0.00 C ATOM 1665 O GLY A 104 13.140 -10.564 5.359 1.00 0.00 O ATOM 0 H GLY A 104 13.807 -11.777 2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 104 15.473 -11.532 4.831 1.00 0.00 H new ATOM 0 HA3 GLY A 104 15.770 -10.420 3.510 1.00 0.00 H new ATOM 1669 N PRO A 105 13.511 -9.147 3.677 1.00 0.00 N ATOM 1670 CA PRO A 105 12.361 -8.287 3.994 1.00 0.00 C ATOM 1671 C PRO A 105 11.081 -8.876 3.384 1.00 0.00 C ATOM 1672 O PRO A 105 11.025 -10.049 3.067 1.00 0.00 O ATOM 1673 CB PRO A 105 12.721 -6.954 3.341 1.00 0.00 C ATOM 1674 CG PRO A 105 13.746 -7.267 2.224 1.00 0.00 C ATOM 1675 CD PRO A 105 14.292 -8.681 2.505 1.00 0.00 C ATOM 0 HA PRO A 105 12.172 -8.189 5.063 1.00 0.00 H new ATOM 0 HB2 PRO A 105 11.834 -6.473 2.928 1.00 0.00 H new ATOM 0 HB3 PRO A 105 13.145 -6.267 4.073 1.00 0.00 H new ATOM 0 HG2 PRO A 105 13.274 -7.223 1.243 1.00 0.00 H new ATOM 0 HG3 PRO A 105 14.553 -6.534 2.223 1.00 0.00 H new ATOM 0 HD2 PRO A 105 14.154 -9.339 1.647 1.00 0.00 H new ATOM 0 HD3 PRO A 105 15.360 -8.660 2.721 1.00 0.00 H new ATOM 1683 N LYS A 106 10.051 -8.077 3.229 1.00 0.00 N ATOM 1684 CA LYS A 106 8.779 -8.597 2.655 1.00 0.00 C ATOM 1685 C LYS A 106 7.844 -7.431 2.320 1.00 0.00 C ATOM 1686 O LYS A 106 8.106 -6.294 2.663 1.00 0.00 O ATOM 1687 CB LYS A 106 8.117 -9.502 3.690 1.00 0.00 C ATOM 1688 CG LYS A 106 7.698 -10.835 3.048 1.00 0.00 C ATOM 1689 CD LYS A 106 8.415 -11.996 3.744 1.00 0.00 C ATOM 1690 CE LYS A 106 7.715 -12.311 5.067 1.00 0.00 C ATOM 1691 NZ LYS A 106 7.855 -13.763 5.371 1.00 0.00 N ATOM 0 H LYS A 106 10.041 -7.088 3.477 1.00 0.00 H new ATOM 0 HA LYS A 106 8.984 -9.156 1.742 1.00 0.00 H new ATOM 0 HB2 LYS A 106 8.807 -9.689 4.513 1.00 0.00 H new ATOM 0 HB3 LYS A 106 7.244 -9.004 4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 106 6.618 -10.963 3.127 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.942 -10.830 1.986 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.413 -12.876 3.101 1.00 0.00 H new ATOM 0 HD3 LYS A 106 9.458 -11.736 3.925 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.150 -11.717 5.871 1.00 0.00 H new ATOM 0 HE3 LYS A 106 6.661 -12.042 5.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 7.379 -13.977 6.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 7.421 -14.321 4.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 8.863 -14.006 5.447 1.00 0.00 H new ATOM 1705 N THR A 107 6.752 -7.716 1.660 1.00 0.00 N ATOM 1706 CA THR A 107 5.787 -6.646 1.296 1.00 0.00 C ATOM 1707 C THR A 107 4.563 -6.736 2.206 1.00 0.00 C ATOM 1708 O THR A 107 4.355 -7.721 2.886 1.00 0.00 O ATOM 1709 CB THR A 107 5.354 -6.846 -0.161 1.00 0.00 C ATOM 1710 OG1 THR A 107 5.298 -8.235 -0.459 1.00 0.00 O ATOM 1711 CG2 THR A 107 6.353 -6.179 -1.100 1.00 0.00 C ATOM 0 H THR A 107 6.489 -8.654 1.357 1.00 0.00 H new ATOM 0 HA THR A 107 6.254 -5.668 1.414 1.00 0.00 H new ATOM 0 HB THR A 107 4.370 -6.398 -0.298 1.00 0.00 H new ATOM 0 HG1 THR A 107 5.019 -8.359 -1.390 1.00 0.00 H new ATOM 0 HG21 THR A 107 6.036 -6.327 -2.133 1.00 0.00 H new ATOM 0 HG22 THR A 107 6.399 -5.112 -0.884 1.00 0.00 H new ATOM 0 HG23 THR A 107 7.339 -6.621 -0.956 1.00 0.00 H new ATOM 1719 N SER A 108 3.753 -5.708 2.221 1.00 0.00 N ATOM 1720 CA SER A 108 2.526 -5.703 3.078 1.00 0.00 C ATOM 1721 C SER A 108 1.920 -4.298 3.051 1.00 0.00 C ATOM 1722 O SER A 108 2.538 -3.369 2.569 1.00 0.00 O ATOM 1723 CB SER A 108 2.889 -6.055 4.526 1.00 0.00 C ATOM 1724 OG SER A 108 4.177 -5.533 4.828 1.00 0.00 O ATOM 0 H SER A 108 3.891 -4.861 1.669 1.00 0.00 H new ATOM 0 HA SER A 108 1.817 -6.439 2.698 1.00 0.00 H new ATOM 0 HB2 SER A 108 2.147 -5.642 5.210 1.00 0.00 H new ATOM 0 HB3 SER A 108 2.881 -7.136 4.662 1.00 0.00 H new ATOM 0 HG SER A 108 4.411 -5.755 5.753 1.00 0.00 H new ATOM 1730 N TRP A 109 0.742 -4.120 3.600 1.00 0.00 N ATOM 1731 CA TRP A 109 0.145 -2.751 3.642 1.00 0.00 C ATOM 1732 C TRP A 109 -0.970 -2.703 4.655 1.00 0.00 C ATOM 1733 O TRP A 109 -1.719 -3.647 4.822 1.00 0.00 O ATOM 1734 CB TRP A 109 -0.351 -2.260 2.264 1.00 0.00 C ATOM 1735 CG TRP A 109 -1.535 -2.994 1.707 1.00 0.00 C ATOM 1736 CD1 TRP A 109 -1.493 -3.709 0.564 1.00 0.00 C ATOM 1737 CD2 TRP A 109 -2.933 -3.034 2.165 1.00 0.00 C ATOM 1738 NE1 TRP A 109 -2.755 -4.200 0.288 1.00 0.00 N ATOM 1739 CE2 TRP A 109 -3.675 -3.818 1.242 1.00 0.00 C ATOM 1740 CE3 TRP A 109 -3.630 -2.493 3.275 1.00 0.00 C ATOM 1741 CZ2 TRP A 109 -5.041 -4.051 1.409 1.00 0.00 C ATOM 1742 CZ3 TRP A 109 -5.002 -2.733 3.437 1.00 0.00 C ATOM 1743 CH2 TRP A 109 -5.702 -3.508 2.508 1.00 0.00 C ATOM 0 H TRP A 109 0.174 -4.857 4.017 1.00 0.00 H new ATOM 0 HA TRP A 109 0.941 -2.069 3.941 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -0.605 -1.203 2.344 1.00 0.00 H new ATOM 0 HB3 TRP A 109 0.471 -2.338 1.552 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -0.613 -3.872 -0.040 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -2.979 -4.776 -0.524 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -3.101 -1.892 4.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -5.582 -4.649 0.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -5.522 -2.316 4.287 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -6.759 -3.686 2.643 1.00 0.00 H new ATOM 1754 N THR A 110 -1.075 -1.599 5.349 1.00 0.00 N ATOM 1755 CA THR A 110 -2.144 -1.470 6.371 1.00 0.00 C ATOM 1756 C THR A 110 -2.894 -0.158 6.188 1.00 0.00 C ATOM 1757 O THR A 110 -2.385 0.913 6.446 1.00 0.00 O ATOM 1758 CB THR A 110 -1.546 -1.523 7.771 1.00 0.00 C ATOM 1759 OG1 THR A 110 -0.852 -0.312 8.039 1.00 0.00 O ATOM 1760 CG2 THR A 110 -0.583 -2.705 7.879 1.00 0.00 C ATOM 0 H THR A 110 -0.467 -0.786 5.249 1.00 0.00 H new ATOM 0 HA THR A 110 -2.839 -2.300 6.247 1.00 0.00 H new ATOM 0 HB THR A 110 -2.347 -1.648 8.499 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.198 0.398 7.459 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.158 -2.738 8.882 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.121 -3.632 7.682 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.219 -2.589 7.149 1.00 0.00 H new ATOM 1768 N ARG A 111 -4.118 -0.257 5.771 1.00 0.00 N ATOM 1769 CA ARG A 111 -4.965 0.958 5.579 1.00 0.00 C ATOM 1770 C ARG A 111 -5.633 1.265 6.910 1.00 0.00 C ATOM 1771 O ARG A 111 -6.242 0.403 7.486 1.00 0.00 O ATOM 1772 CB ARG A 111 -6.028 0.661 4.514 1.00 0.00 C ATOM 1773 CG ARG A 111 -5.387 0.698 3.126 1.00 0.00 C ATOM 1774 CD ARG A 111 -6.431 0.332 2.070 1.00 0.00 C ATOM 1775 NE ARG A 111 -5.746 -0.216 0.865 1.00 0.00 N ATOM 1776 CZ ARG A 111 -4.984 0.557 0.139 1.00 0.00 C ATOM 1777 NH1 ARG A 111 -5.410 1.735 -0.227 1.00 0.00 N ATOM 1778 NH2 ARG A 111 -3.797 0.151 -0.221 1.00 0.00 N ATOM 0 H ARG A 111 -4.580 -1.139 5.550 1.00 0.00 H new ATOM 0 HA ARG A 111 -4.368 1.809 5.252 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -6.474 -0.317 4.694 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -6.832 1.394 4.574 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.985 1.691 2.926 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.550 0.001 3.082 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -7.128 -0.404 2.472 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -7.016 1.212 1.801 1.00 0.00 H new ATOM 0 HE ARG A 111 -5.872 -1.195 0.607 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -6.338 2.052 0.054 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -4.815 2.339 -0.794 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -3.465 -0.770 0.065 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -3.202 0.755 -0.788 1.00 0.00 H new ATOM 1792 N GLU A 112 -5.522 2.466 7.421 1.00 0.00 N ATOM 1793 CA GLU A 112 -6.163 2.756 8.739 1.00 0.00 C ATOM 1794 C GLU A 112 -6.967 4.046 8.669 1.00 0.00 C ATOM 1795 O GLU A 112 -6.686 4.927 7.887 1.00 0.00 O ATOM 1796 CB GLU A 112 -5.088 2.874 9.822 1.00 0.00 C ATOM 1797 CG GLU A 112 -5.755 2.936 11.198 1.00 0.00 C ATOM 1798 CD GLU A 112 -4.686 3.082 12.284 1.00 0.00 C ATOM 1799 OE1 GLU A 112 -3.668 3.696 12.010 1.00 0.00 O ATOM 1800 OE2 GLU A 112 -4.905 2.578 13.374 1.00 0.00 O ATOM 0 H GLU A 112 -5.024 3.246 6.991 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.839 1.937 8.986 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -4.411 2.021 9.772 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.487 3.768 9.657 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -6.447 3.777 11.240 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.341 2.033 11.370 1.00 0.00 H new ATOM 1807 N LEU A 113 -7.979 4.142 9.482 1.00 0.00 N ATOM 1808 CA LEU A 113 -8.843 5.350 9.496 1.00 0.00 C ATOM 1809 C LEU A 113 -8.592 6.112 10.800 1.00 0.00 C ATOM 1810 O LEU A 113 -7.954 5.603 11.703 1.00 0.00 O ATOM 1811 CB LEU A 113 -10.304 4.881 9.438 1.00 0.00 C ATOM 1812 CG LEU A 113 -10.751 4.490 8.014 1.00 0.00 C ATOM 1813 CD1 LEU A 113 -11.261 5.725 7.277 1.00 0.00 C ATOM 1814 CD2 LEU A 113 -9.625 3.836 7.213 1.00 0.00 C ATOM 0 H LEU A 113 -8.248 3.419 10.150 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.627 6.003 8.650 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -10.433 4.026 10.102 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -10.951 5.675 9.812 1.00 0.00 H new ATOM 0 HG LEU A 113 -11.551 3.756 8.111 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -11.576 5.445 6.272 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -12.108 6.148 7.818 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -10.464 6.466 7.214 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -9.988 3.579 6.218 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -8.789 4.531 7.126 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -9.293 2.932 7.723 1.00 0.00 H new ATOM 1873 N GLU A 118 -9.517 10.769 7.491 1.00 0.00 N ATOM 1874 CA GLU A 118 -8.046 10.843 7.723 1.00 0.00 C ATOM 1875 C GLU A 118 -7.493 9.419 7.613 1.00 0.00 C ATOM 1876 O GLU A 118 -7.088 8.809 8.584 1.00 0.00 O ATOM 1877 CB GLU A 118 -7.768 11.423 9.116 1.00 0.00 C ATOM 1878 CG GLU A 118 -6.683 12.499 9.021 1.00 0.00 C ATOM 1879 CD GLU A 118 -6.474 13.136 10.395 1.00 0.00 C ATOM 1880 OE1 GLU A 118 -7.457 13.538 10.996 1.00 0.00 O ATOM 1881 OE2 GLU A 118 -5.335 13.211 10.824 1.00 0.00 O ATOM 0 HA GLU A 118 -7.567 11.491 6.989 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -8.681 11.849 9.532 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -7.449 10.631 9.793 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -5.751 12.060 8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -6.973 13.260 8.296 1.00 0.00 H new ATOM 1888 N LEU A 119 -7.528 8.880 6.428 1.00 0.00 N ATOM 1889 CA LEU A 119 -7.070 7.480 6.199 1.00 0.00 C ATOM 1890 C LEU A 119 -5.545 7.405 6.029 1.00 0.00 C ATOM 1891 O LEU A 119 -5.017 7.758 4.999 1.00 0.00 O ATOM 1892 CB LEU A 119 -7.751 6.988 4.919 1.00 0.00 C ATOM 1893 CG LEU A 119 -7.705 5.459 4.834 1.00 0.00 C ATOM 1894 CD1 LEU A 119 -9.069 4.923 4.386 1.00 0.00 C ATOM 1895 CD2 LEU A 119 -6.641 5.043 3.818 1.00 0.00 C ATOM 0 H LEU A 119 -7.861 9.359 5.591 1.00 0.00 H new ATOM 0 HA LEU A 119 -7.331 6.863 7.059 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.787 7.327 4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -7.257 7.421 4.049 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.461 5.050 5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -9.031 3.835 4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.831 5.221 5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.316 5.331 3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.604 3.955 3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.890 5.456 2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.669 5.421 4.134 1.00 0.00 H new ATOM 1907 N ILE A 120 -4.835 6.909 7.015 1.00 0.00 N ATOM 1908 CA ILE A 120 -3.349 6.778 6.873 1.00 0.00 C ATOM 1909 C ILE A 120 -3.058 5.386 6.309 1.00 0.00 C ATOM 1910 O ILE A 120 -3.268 4.386 6.959 1.00 0.00 O ATOM 1911 CB ILE A 120 -2.670 6.984 8.231 1.00 0.00 C ATOM 1912 CG1 ILE A 120 -3.109 5.899 9.222 1.00 0.00 C ATOM 1913 CG2 ILE A 120 -3.074 8.350 8.772 1.00 0.00 C ATOM 1914 CD1 ILE A 120 -2.021 4.825 9.324 1.00 0.00 C ATOM 0 H ILE A 120 -5.217 6.591 7.906 1.00 0.00 H new ATOM 0 HA ILE A 120 -2.954 7.537 6.198 1.00 0.00 H new ATOM 0 HB ILE A 120 -1.589 6.925 8.106 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -3.292 6.340 10.202 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -4.047 5.451 8.894 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -2.599 8.513 9.739 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -2.755 9.126 8.076 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -4.157 8.389 8.888 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -2.335 4.055 10.029 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -1.860 4.376 8.344 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -1.093 5.279 9.672 1.00 0.00 H new ATOM 1926 N LEU A 121 -2.627 5.322 5.083 1.00 0.00 N ATOM 1927 CA LEU A 121 -2.384 4.005 4.437 1.00 0.00 C ATOM 1928 C LEU A 121 -0.876 3.768 4.213 1.00 0.00 C ATOM 1929 O LEU A 121 -0.186 4.552 3.590 1.00 0.00 O ATOM 1930 CB LEU A 121 -3.193 3.996 3.116 1.00 0.00 C ATOM 1931 CG LEU A 121 -2.808 2.847 2.165 1.00 0.00 C ATOM 1932 CD1 LEU A 121 -1.573 3.246 1.361 1.00 0.00 C ATOM 1933 CD2 LEU A 121 -2.520 1.560 2.937 1.00 0.00 C ATOM 0 H LEU A 121 -2.431 6.132 4.496 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.714 3.184 5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.255 3.922 3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.045 4.946 2.603 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.648 2.662 1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.299 2.434 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -1.791 4.142 0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -0.746 3.448 2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.251 0.768 2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.695 1.728 3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.408 1.264 3.496 1.00 0.00 H new ATOM 1945 N THR A 122 -0.382 2.669 4.737 1.00 0.00 N ATOM 1946 CA THR A 122 1.063 2.301 4.602 1.00 0.00 C ATOM 1947 C THR A 122 1.187 1.094 3.672 1.00 0.00 C ATOM 1948 O THR A 122 0.260 0.339 3.509 1.00 0.00 O ATOM 1949 CB THR A 122 1.595 1.888 5.967 1.00 0.00 C ATOM 1950 OG1 THR A 122 1.315 2.903 6.920 1.00 0.00 O ATOM 1951 CG2 THR A 122 3.101 1.652 5.886 1.00 0.00 C ATOM 0 H THR A 122 -0.936 1.996 5.266 1.00 0.00 H new ATOM 0 HA THR A 122 1.620 3.151 4.207 1.00 0.00 H new ATOM 0 HB THR A 122 1.106 0.964 6.277 1.00 0.00 H new ATOM 0 HG1 THR A 122 1.658 2.632 7.797 1.00 0.00 H new ATOM 0 HG21 THR A 122 3.476 1.357 6.866 1.00 0.00 H new ATOM 0 HG22 THR A 122 3.307 0.861 5.165 1.00 0.00 H new ATOM 0 HG23 THR A 122 3.597 2.570 5.569 1.00 0.00 H new ATOM 1959 N MET A 123 2.335 0.883 3.095 1.00 0.00 N ATOM 1960 CA MET A 123 2.516 -0.304 2.203 1.00 0.00 C ATOM 1961 C MET A 123 4.000 -0.636 2.099 1.00 0.00 C ATOM 1962 O MET A 123 4.716 -0.089 1.282 1.00 0.00 O ATOM 1963 CB MET A 123 1.948 -0.012 0.816 1.00 0.00 C ATOM 1964 CG MET A 123 2.001 -1.287 -0.038 1.00 0.00 C ATOM 1965 SD MET A 123 3.322 -1.161 -1.273 1.00 0.00 S ATOM 1966 CE MET A 123 3.586 -2.936 -1.505 1.00 0.00 C ATOM 0 H MET A 123 3.157 1.477 3.199 1.00 0.00 H new ATOM 0 HA MET A 123 1.982 -1.156 2.625 1.00 0.00 H new ATOM 0 HB2 MET A 123 0.920 0.340 0.899 1.00 0.00 H new ATOM 0 HB3 MET A 123 2.520 0.783 0.337 1.00 0.00 H new ATOM 0 HG2 MET A 123 2.172 -2.154 0.600 1.00 0.00 H new ATOM 0 HG3 MET A 123 1.043 -1.441 -0.534 1.00 0.00 H new ATOM 0 HE1 MET A 123 4.556 -3.101 -1.975 1.00 0.00 H new ATOM 0 HE2 MET A 123 3.561 -3.437 -0.537 1.00 0.00 H new ATOM 0 HE3 MET A 123 2.800 -3.340 -2.143 1.00 0.00 H new ATOM 1976 N THR A 124 4.465 -1.519 2.939 1.00 0.00 N ATOM 1977 CA THR A 124 5.913 -1.886 2.926 1.00 0.00 C ATOM 1978 C THR A 124 6.253 -2.693 1.689 1.00 0.00 C ATOM 1979 O THR A 124 5.388 -3.129 0.952 1.00 0.00 O ATOM 1980 CB THR A 124 6.309 -2.694 4.184 1.00 0.00 C ATOM 1981 OG1 THR A 124 6.160 -4.091 3.947 1.00 0.00 O ATOM 1982 CG2 THR A 124 5.454 -2.305 5.393 1.00 0.00 C ATOM 0 H THR A 124 3.903 -2.005 3.638 1.00 0.00 H new ATOM 0 HA THR A 124 6.477 -0.953 2.919 1.00 0.00 H new ATOM 0 HB THR A 124 7.352 -2.462 4.400 1.00 0.00 H new ATOM 0 HG1 THR A 124 5.243 -4.363 4.162 1.00 0.00 H new ATOM 0 HG21 THR A 124 5.760 -2.892 6.259 1.00 0.00 H new ATOM 0 HG22 THR A 124 5.589 -1.245 5.608 1.00 0.00 H new ATOM 0 HG23 THR A 124 4.404 -2.500 5.174 1.00 0.00 H new ATOM 1990 N ALA A 125 7.525 -2.896 1.468 1.00 0.00 N ATOM 1991 CA ALA A 125 7.950 -3.685 0.278 1.00 0.00 C ATOM 1992 C ALA A 125 9.463 -3.905 0.244 1.00 0.00 C ATOM 1993 O ALA A 125 10.221 -3.035 -0.130 1.00 0.00 O ATOM 1994 CB ALA A 125 7.529 -2.957 -0.993 1.00 0.00 C ATOM 0 H ALA A 125 8.283 -2.551 2.057 1.00 0.00 H new ATOM 0 HA ALA A 125 7.467 -4.660 0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 125 7.840 -3.535 -1.863 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.445 -2.840 -1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.000 -1.974 -1.022 1.00 0.00 H new ATOM 2000 N ASP A 126 9.910 -5.083 0.590 1.00 0.00 N ATOM 2001 CA ASP A 126 11.378 -5.369 0.551 1.00 0.00 C ATOM 2002 C ASP A 126 12.094 -4.483 1.576 1.00 0.00 C ATOM 2003 O ASP A 126 13.219 -4.074 1.372 1.00 0.00 O ATOM 2004 CB ASP A 126 11.924 -5.084 -0.854 1.00 0.00 C ATOM 2005 CG ASP A 126 12.483 -6.369 -1.471 1.00 0.00 C ATOM 2006 OD1 ASP A 126 13.558 -6.780 -1.064 1.00 0.00 O ATOM 2007 OD2 ASP A 126 11.827 -6.920 -2.340 1.00 0.00 O ATOM 0 H ASP A 126 9.325 -5.860 0.898 1.00 0.00 H new ATOM 0 HA ASP A 126 11.551 -6.417 0.793 1.00 0.00 H new ATOM 0 HB2 ASP A 126 11.132 -4.682 -1.486 1.00 0.00 H new ATOM 0 HB3 ASP A 126 12.706 -4.326 -0.802 1.00 0.00 H new ATOM 2012 N ASP A 127 11.424 -4.206 2.675 1.00 0.00 N ATOM 2013 CA ASP A 127 11.979 -3.363 3.799 1.00 0.00 C ATOM 2014 C ASP A 127 11.594 -1.893 3.620 1.00 0.00 C ATOM 2015 O ASP A 127 11.815 -1.089 4.508 1.00 0.00 O ATOM 2016 CB ASP A 127 13.506 -3.480 3.916 1.00 0.00 C ATOM 2017 CG ASP A 127 13.929 -3.241 5.367 1.00 0.00 C ATOM 2018 OD1 ASP A 127 13.389 -2.336 5.980 1.00 0.00 O ATOM 2019 OD2 ASP A 127 14.787 -3.968 5.840 1.00 0.00 O ATOM 0 H ASP A 127 10.477 -4.542 2.848 1.00 0.00 H new ATOM 0 HA ASP A 127 11.539 -3.746 4.720 1.00 0.00 H new ATOM 0 HB2 ASP A 127 13.831 -4.468 3.590 1.00 0.00 H new ATOM 0 HB3 ASP A 127 13.988 -2.753 3.262 1.00 0.00 H new ATOM 2024 N VAL A 128 11.007 -1.528 2.505 1.00 0.00 N ATOM 2025 CA VAL A 128 10.603 -0.116 2.317 1.00 0.00 C ATOM 2026 C VAL A 128 9.245 0.083 2.982 1.00 0.00 C ATOM 2027 O VAL A 128 8.642 -0.858 3.455 1.00 0.00 O ATOM 2028 CB VAL A 128 10.516 0.202 0.812 1.00 0.00 C ATOM 2029 CG1 VAL A 128 11.807 -0.230 0.113 1.00 0.00 C ATOM 2030 CG2 VAL A 128 9.335 -0.533 0.174 1.00 0.00 C ATOM 0 H VAL A 128 10.795 -2.150 1.725 1.00 0.00 H new ATOM 0 HA VAL A 128 11.336 0.554 2.767 1.00 0.00 H new ATOM 0 HB VAL A 128 10.374 1.277 0.698 1.00 0.00 H new ATOM 0 HG11 VAL A 128 11.739 -0.002 -0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 128 12.652 0.306 0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 128 11.951 -1.302 0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 128 9.290 -0.296 -0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 128 9.464 -1.608 0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 128 8.409 -0.220 0.655 1.00 0.00 H new ATOM 2040 N VAL A 129 8.762 1.288 3.004 1.00 0.00 N ATOM 2041 CA VAL A 129 7.433 1.549 3.611 1.00 0.00 C ATOM 2042 C VAL A 129 6.858 2.838 3.026 1.00 0.00 C ATOM 2043 O VAL A 129 7.366 3.920 3.239 1.00 0.00 O ATOM 2044 CB VAL A 129 7.567 1.585 5.154 1.00 0.00 C ATOM 2045 CG1 VAL A 129 6.677 2.674 5.794 1.00 0.00 C ATOM 2046 CG2 VAL A 129 7.159 0.211 5.710 1.00 0.00 C ATOM 0 H VAL A 129 9.233 2.109 2.625 1.00 0.00 H new ATOM 0 HA VAL A 129 6.732 0.749 3.375 1.00 0.00 H new ATOM 0 HB VAL A 129 8.602 1.822 5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 129 6.806 2.660 6.876 1.00 0.00 H new ATOM 0 HG12 VAL A 129 6.964 3.652 5.407 1.00 0.00 H new ATOM 0 HG13 VAL A 129 5.632 2.480 5.550 1.00 0.00 H new ATOM 0 HG21 VAL A 129 7.247 0.217 6.796 1.00 0.00 H new ATOM 0 HG22 VAL A 129 6.127 -0.003 5.431 1.00 0.00 H new ATOM 0 HG23 VAL A 129 7.813 -0.557 5.297 1.00 0.00 H new ATOM 2056 N CYS A 130 5.784 2.703 2.305 1.00 0.00 N ATOM 2057 CA CYS A 130 5.124 3.891 1.696 1.00 0.00 C ATOM 2058 C CYS A 130 4.010 4.360 2.630 1.00 0.00 C ATOM 2059 O CYS A 130 2.886 3.904 2.544 1.00 0.00 O ATOM 2060 CB CYS A 130 4.529 3.509 0.339 1.00 0.00 C ATOM 2061 SG CYS A 130 4.015 5.008 -0.537 1.00 0.00 S ATOM 0 H CYS A 130 5.329 1.811 2.108 1.00 0.00 H new ATOM 0 HA CYS A 130 5.852 4.689 1.552 1.00 0.00 H new ATOM 0 HB2 CYS A 130 5.265 2.963 -0.252 1.00 0.00 H new ATOM 0 HB3 CYS A 130 3.676 2.845 0.478 1.00 0.00 H new ATOM 0 HG CYS A 130 3.511 4.685 -1.691 1.00 0.00 H new ATOM 2067 N THR A 131 4.321 5.254 3.534 1.00 0.00 N ATOM 2068 CA THR A 131 3.290 5.745 4.494 1.00 0.00 C ATOM 2069 C THR A 131 2.890 7.177 4.155 1.00 0.00 C ATOM 2070 O THR A 131 3.726 8.041 3.969 1.00 0.00 O ATOM 2071 CB THR A 131 3.865 5.719 5.910 1.00 0.00 C ATOM 2072 OG1 THR A 131 4.812 4.667 6.017 1.00 0.00 O ATOM 2073 CG2 THR A 131 2.737 5.500 6.921 1.00 0.00 C ATOM 0 H THR A 131 5.247 5.665 3.648 1.00 0.00 H new ATOM 0 HA THR A 131 2.414 5.100 4.428 1.00 0.00 H new ATOM 0 HB THR A 131 4.354 6.670 6.119 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.182 4.651 6.924 1.00 0.00 H new ATOM 0 HG21 THR A 131 3.151 5.482 7.929 1.00 0.00 H new ATOM 0 HG22 THR A 131 2.013 6.311 6.840 1.00 0.00 H new ATOM 0 HG23 THR A 131 2.243 4.551 6.715 1.00 0.00 H new ATOM 2081 N ARG A 132 1.612 7.434 4.096 1.00 0.00 N ATOM 2082 CA ARG A 132 1.131 8.816 3.794 1.00 0.00 C ATOM 2083 C ARG A 132 -0.316 8.946 4.253 1.00 0.00 C ATOM 2084 O ARG A 132 -1.119 8.051 4.065 1.00 0.00 O ATOM 2085 CB ARG A 132 1.230 9.136 2.290 1.00 0.00 C ATOM 2086 CG ARG A 132 1.060 7.875 1.435 1.00 0.00 C ATOM 2087 CD ARG A 132 0.889 8.280 -0.028 1.00 0.00 C ATOM 2088 NE ARG A 132 1.058 7.083 -0.900 1.00 0.00 N ATOM 2089 CZ ARG A 132 1.416 7.228 -2.147 1.00 0.00 C ATOM 2090 NH1 ARG A 132 2.643 7.562 -2.438 1.00 0.00 N ATOM 2091 NH2 ARG A 132 0.546 7.040 -3.101 1.00 0.00 N ATOM 0 H ARG A 132 0.875 6.744 4.244 1.00 0.00 H new ATOM 0 HA ARG A 132 1.764 9.526 4.325 1.00 0.00 H new ATOM 0 HB2 ARG A 132 0.466 9.865 2.021 1.00 0.00 H new ATOM 0 HB3 ARG A 132 2.196 9.594 2.077 1.00 0.00 H new ATOM 0 HG2 ARG A 132 1.929 7.226 1.546 1.00 0.00 H new ATOM 0 HG3 ARG A 132 0.193 7.307 1.771 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -0.097 8.718 -0.182 1.00 0.00 H new ATOM 0 HD3 ARG A 132 1.622 9.042 -0.293 1.00 0.00 H new ATOM 0 HE ARG A 132 0.894 6.150 -0.522 1.00 0.00 H new ATOM 0 HH11 ARG A 132 3.322 7.710 -1.691 1.00 0.00 H new ATOM 0 HH12 ARG A 132 2.923 7.675 -3.412 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -0.413 6.780 -2.872 1.00 0.00 H new ATOM 0 HH22 ARG A 132 0.825 7.153 -4.075 1.00 0.00 H new ATOM 2105 N VAL A 133 -0.650 10.052 4.862 1.00 0.00 N ATOM 2106 CA VAL A 133 -2.043 10.248 5.345 1.00 0.00 C ATOM 2107 C VAL A 133 -2.943 10.563 4.156 1.00 0.00 C ATOM 2108 O VAL A 133 -2.498 11.039 3.134 1.00 0.00 O ATOM 2109 CB VAL A 133 -2.071 11.403 6.359 1.00 0.00 C ATOM 2110 CG1 VAL A 133 -3.516 11.743 6.741 1.00 0.00 C ATOM 2111 CG2 VAL A 133 -1.303 10.988 7.615 1.00 0.00 C ATOM 0 H VAL A 133 -0.015 10.829 5.045 1.00 0.00 H new ATOM 0 HA VAL A 133 -2.402 9.342 5.833 1.00 0.00 H new ATOM 0 HB VAL A 133 -1.608 12.281 5.909 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -3.519 12.563 7.460 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -4.068 12.040 5.849 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -3.990 10.868 7.186 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -1.320 11.804 8.338 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -1.771 10.106 8.053 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -0.271 10.758 7.351 1.00 0.00 H new ATOM 2121 N TYR A 134 -4.211 10.311 4.303 1.00 0.00 N ATOM 2122 CA TYR A 134 -5.166 10.602 3.210 1.00 0.00 C ATOM 2123 C TYR A 134 -6.403 11.257 3.791 1.00 0.00 C ATOM 2124 O TYR A 134 -6.686 11.143 4.967 1.00 0.00 O ATOM 2125 CB TYR A 134 -5.631 9.324 2.538 1.00 0.00 C ATOM 2126 CG TYR A 134 -4.524 8.698 1.743 1.00 0.00 C ATOM 2127 CD1 TYR A 134 -3.471 8.062 2.400 1.00 0.00 C ATOM 2128 CD2 TYR A 134 -4.565 8.730 0.347 1.00 0.00 C ATOM 2129 CE1 TYR A 134 -2.456 7.457 1.664 1.00 0.00 C ATOM 2130 CE2 TYR A 134 -3.549 8.130 -0.393 1.00 0.00 C ATOM 2131 CZ TYR A 134 -2.490 7.490 0.263 1.00 0.00 C ATOM 2132 OH TYR A 134 -1.486 6.890 -0.468 1.00 0.00 O ATOM 0 H TYR A 134 -4.628 9.912 5.144 1.00 0.00 H new ATOM 0 HA TYR A 134 -4.660 11.245 2.490 1.00 0.00 H new ATOM 0 HB2 TYR A 134 -5.984 8.621 3.292 1.00 0.00 H new ATOM 0 HB3 TYR A 134 -6.476 9.540 1.884 1.00 0.00 H new ATOM 0 HD1 TYR A 134 -3.443 8.039 3.479 1.00 0.00 H new ATOM 0 HD2 TYR A 134 -5.384 9.220 -0.158 1.00 0.00 H new ATOM 0 HE1 TYR A 134 -1.642 6.962 2.173 1.00 0.00 H new ATOM 0 HE2 TYR A 134 -3.578 8.158 -1.472 1.00 0.00 H new ATOM 0 HH TYR A 134 -1.774 6.792 -1.400 1.00 0.00 H new ATOM 2142 N VAL A 135 -7.164 11.895 2.959 1.00 0.00 N ATOM 2143 CA VAL A 135 -8.423 12.516 3.414 1.00 0.00 C ATOM 2144 C VAL A 135 -9.487 12.134 2.404 1.00 0.00 C ATOM 2145 O VAL A 135 -9.164 11.696 1.322 1.00 0.00 O ATOM 2146 CB VAL A 135 -8.273 14.018 3.472 1.00 0.00 C ATOM 2147 CG1 VAL A 135 -9.566 14.620 3.997 1.00 0.00 C ATOM 2148 CG2 VAL A 135 -7.130 14.363 4.417 1.00 0.00 C ATOM 0 H VAL A 135 -6.962 12.013 1.966 1.00 0.00 H new ATOM 0 HA VAL A 135 -8.690 12.173 4.413 1.00 0.00 H new ATOM 0 HB VAL A 135 -8.060 14.416 2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -9.470 15.705 4.043 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -10.387 14.357 3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -9.770 14.231 4.995 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -7.013 15.446 4.466 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -7.351 13.976 5.412 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -6.207 13.915 4.050 1.00 0.00 H new ATOM 2158 N ARG A 136 -10.739 12.274 2.722 1.00 0.00 N ATOM 2159 CA ARG A 136 -11.763 11.873 1.717 1.00 0.00 C ATOM 2160 C ARG A 136 -11.947 12.986 0.696 1.00 0.00 C ATOM 2161 O ARG A 136 -12.332 14.094 1.015 1.00 0.00 O ATOM 2162 CB ARG A 136 -13.102 11.527 2.368 1.00 0.00 C ATOM 2163 CG ARG A 136 -13.260 10.008 2.393 1.00 0.00 C ATOM 2164 CD ARG A 136 -14.727 9.638 2.623 1.00 0.00 C ATOM 2165 NE ARG A 136 -15.237 10.346 3.832 1.00 0.00 N ATOM 2166 CZ ARG A 136 -16.474 10.180 4.213 1.00 0.00 C ATOM 2167 NH1 ARG A 136 -17.451 10.405 3.377 1.00 0.00 N ATOM 2168 NH2 ARG A 136 -16.735 9.788 5.430 1.00 0.00 N ATOM 0 H ARG A 136 -11.094 12.637 3.606 1.00 0.00 H new ATOM 0 HA ARG A 136 -11.403 10.973 1.218 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -13.144 11.927 3.381 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -13.921 11.982 1.811 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -12.912 9.582 1.452 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -12.641 9.583 3.183 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -15.322 9.910 1.751 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -14.825 8.560 2.752 1.00 0.00 H new ATOM 0 HE ARG A 136 -14.619 10.960 4.362 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -17.248 10.711 2.425 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -18.418 10.275 3.675 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -15.972 9.611 6.084 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -17.702 9.658 5.728 1.00 0.00 H new ATOM 2182 N GLU A 137 -11.662 12.678 -0.535 1.00 0.00 N ATOM 2183 CA GLU A 137 -11.793 13.681 -1.632 1.00 0.00 C ATOM 2184 C GLU A 137 -13.216 14.252 -1.660 1.00 0.00 C ATOM 2185 O GLU A 137 -14.147 13.466 -1.724 1.00 0.00 O ATOM 2186 CB GLU A 137 -11.492 13.008 -2.973 1.00 0.00 C ATOM 2187 CG GLU A 137 -11.165 14.077 -4.018 1.00 0.00 C ATOM 2188 CD GLU A 137 -11.287 13.475 -5.420 1.00 0.00 C ATOM 2189 OE1 GLU A 137 -12.337 12.931 -5.720 1.00 0.00 O ATOM 2190 OE2 GLU A 137 -10.329 13.569 -6.169 1.00 0.00 O ATOM 2191 OXT GLU A 137 -13.347 15.464 -1.616 1.00 0.00 O ATOM 0 H GLU A 137 -11.338 11.759 -0.836 1.00 0.00 H new ATOM 0 HA GLU A 137 -11.087 14.493 -1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -10.654 12.320 -2.867 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -12.350 12.418 -3.297 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -11.845 14.923 -3.913 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -10.156 14.458 -3.861 1.00 0.00 H new