USER MOD reduce.3.24.130724 H: found=0, std=0, add=1076, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1077 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 25 SER OG : rot -64:sc= -0.295 USER MOD Set 1.2: A 120 LYS NZ :NH3+ -179:sc= 0.031 (180deg=-0.166) USER MOD Single : A 3 THR OG1 : rot 137:sc= -0.038 USER MOD Single : A 9 SER OG : rot 90:sc= -0.0416 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.704 X(o=-0.7,f=-1.1) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 42:sc= 0.315 USER MOD Single : A 34 THR OG1 : rot 110:sc= 0.00718 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -172:sc= 0.545 (180deg=0.503) USER MOD Single : A 46 LYS NZ :NH3+ 151:sc= 0.56 (180deg=-0.019) USER MOD Single : A 49 LYS NZ :NH3+ 163:sc= -1.14 (180deg=-1.56) USER MOD Single : A 50 GLN : amide:sc= -0.0252 X(o=-0.025,f=-0.025) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= -0.0118 USER MOD Single : A 74 GLN : amide:sc= 0.292 K(o=0.29,f=-0.78) USER MOD Single : A 75 LYS NZ :NH3+ -135:sc= 0.967 (180deg=0.0442) USER MOD Single : A 84 LYS NZ :NH3+ 157:sc= 0.0253 (180deg=-0.454) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc= 0.188 K(o=0.19,f=-8!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.702 K(o=-0.7,f=-1.8) USER MOD Single : A 100 LYS NZ :NH3+ -132:sc= 1.18 (180deg=0.0295) USER MOD Single : A 101 LYS NZ :NH3+ 169:sc= -0.0336 (180deg=-0.205) USER MOD Single : A 109 THR OG1 : rot 118:sc= 0.582 USER MOD Single : A 111 ASN : amide:sc= -0.03 K(o=-0.03,f=-8.6!) USER MOD Single : A 116 LYS NZ :NH3+ -167:sc= 0.208 (180deg=0.0697) USER MOD Single : A 117 LYS NZ :NH3+ -159:sc= -0.128 (180deg=-0.594!) USER MOD Single : A 125 LYS NZ :NH3+ -118:sc= 1.26 (180deg=-0.717) USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -1.654 -13.742 -0.481 1.00 64.53 N ATOM 21 CA GLY A 2 -0.433 -12.942 -0.493 1.00 64.05 C ATOM 22 C GLY A 2 -0.572 -11.681 -1.337 1.00 3.24 C ATOM 23 O GLY A 2 -0.063 -11.607 -2.460 1.00 4.53 O ATOM 0 HA2 GLY A 2 -0.173 -12.665 0.529 1.00 64.05 H new ATOM 0 HA3 GLY A 2 0.389 -13.545 -0.878 1.00 64.05 H new ATOM 27 N THR A 3 -1.310 -10.702 -0.803 1.00 11.24 N ATOM 28 CA THR A 3 -1.474 -9.379 -1.415 1.00 22.02 C ATOM 29 C THR A 3 -0.792 -8.327 -0.540 1.00 10.03 C ATOM 30 O THR A 3 -0.834 -8.403 0.701 1.00 73.31 O ATOM 31 CB THR A 3 -2.986 -9.026 -1.582 1.00 54.22 C ATOM 32 OG1 THR A 3 -3.689 -9.395 -0.390 1.00 61.14 O ATOM 33 CG2 THR A 3 -3.616 -9.734 -2.793 1.00 43.32 C ATOM 0 H THR A 3 -1.816 -10.807 0.076 1.00 11.24 H new ATOM 0 HA THR A 3 -1.014 -9.393 -2.403 1.00 22.02 H new ATOM 0 HB THR A 3 -3.063 -7.952 -1.755 1.00 54.22 H new ATOM 0 HG1 THR A 3 -4.322 -8.686 -0.151 1.00 61.14 H new ATOM 0 HG21 THR A 3 -4.668 -9.458 -2.869 1.00 43.32 H new ATOM 0 HG22 THR A 3 -3.095 -9.433 -3.702 1.00 43.32 H new ATOM 0 HG23 THR A 3 -3.532 -10.813 -2.668 1.00 43.32 H new ATOM 41 N VAL A 4 -0.177 -7.344 -1.208 1.00 20.12 N ATOM 42 CA VAL A 4 0.505 -6.230 -0.559 1.00 52.24 C ATOM 43 C VAL A 4 -0.202 -4.964 -1.046 1.00 73.15 C ATOM 44 O VAL A 4 -0.137 -4.639 -2.234 1.00 63.32 O ATOM 45 CB VAL A 4 2.050 -6.189 -0.938 1.00 21.22 C ATOM 46 CG1 VAL A 4 2.808 -5.109 -0.121 1.00 70.31 C ATOM 47 CG2 VAL A 4 2.708 -7.586 -0.772 1.00 45.44 C ATOM 0 H VAL A 4 -0.141 -7.304 -2.227 1.00 20.12 H new ATOM 0 HA VAL A 4 0.460 -6.327 0.526 1.00 52.24 H new ATOM 0 HB VAL A 4 2.121 -5.912 -1.990 1.00 21.22 H new ATOM 0 HG11 VAL A 4 3.860 -5.109 -0.406 1.00 70.31 H new ATOM 0 HG12 VAL A 4 2.377 -4.129 -0.325 1.00 70.31 H new ATOM 0 HG13 VAL A 4 2.720 -5.329 0.943 1.00 70.31 H new ATOM 0 HG21 VAL A 4 3.763 -7.525 -1.038 1.00 45.44 H new ATOM 0 HG22 VAL A 4 2.614 -7.912 0.264 1.00 45.44 H new ATOM 0 HG23 VAL A 4 2.210 -8.303 -1.425 1.00 45.44 H new ATOM 57 N VAL A 5 -0.896 -4.275 -0.128 1.00 4.43 N ATOM 58 CA VAL A 5 -1.628 -3.042 -0.439 1.00 34.25 C ATOM 59 C VAL A 5 -0.970 -1.875 0.312 1.00 71.54 C ATOM 60 O VAL A 5 -0.968 -1.818 1.540 1.00 74.41 O ATOM 61 CB VAL A 5 -3.183 -3.173 -0.139 1.00 72.23 C ATOM 62 CG1 VAL A 5 -3.845 -4.150 -1.142 1.00 42.32 C ATOM 63 CG2 VAL A 5 -3.483 -3.619 1.311 1.00 44.24 C ATOM 0 H VAL A 5 -0.964 -4.558 0.850 1.00 4.43 H new ATOM 0 HA VAL A 5 -1.566 -2.846 -1.509 1.00 34.25 H new ATOM 0 HB VAL A 5 -3.608 -2.177 -0.260 1.00 72.23 H new ATOM 0 HG11 VAL A 5 -4.910 -4.229 -0.924 1.00 42.32 H new ATOM 0 HG12 VAL A 5 -3.709 -3.777 -2.157 1.00 42.32 H new ATOM 0 HG13 VAL A 5 -3.382 -5.133 -1.052 1.00 42.32 H new ATOM 0 HG21 VAL A 5 -4.561 -3.690 1.454 1.00 44.24 H new ATOM 0 HG22 VAL A 5 -3.028 -4.592 1.494 1.00 44.24 H new ATOM 0 HG23 VAL A 5 -3.072 -2.889 2.009 1.00 44.24 H new ATOM 73 N ILE A 6 -0.353 -0.966 -0.457 1.00 44.53 N ATOM 74 CA ILE A 6 0.428 0.143 0.090 1.00 31.10 C ATOM 75 C ILE A 6 -0.434 1.410 0.051 1.00 34.33 C ATOM 76 O ILE A 6 -0.628 1.986 -1.013 1.00 62.25 O ATOM 77 CB ILE A 6 1.782 0.382 -0.704 1.00 32.44 C ATOM 78 CG1 ILE A 6 2.670 -0.920 -0.804 1.00 43.32 C ATOM 79 CG2 ILE A 6 2.592 1.536 -0.061 1.00 13.53 C ATOM 80 CD1 ILE A 6 2.241 -1.935 -1.863 1.00 71.14 C ATOM 0 H ILE A 6 -0.384 -0.983 -1.476 1.00 44.53 H new ATOM 0 HA ILE A 6 0.705 -0.106 1.114 1.00 31.10 H new ATOM 0 HB ILE A 6 1.505 0.657 -1.722 1.00 32.44 H new ATOM 0 HG12 ILE A 6 3.698 -0.621 -1.009 1.00 43.32 H new ATOM 0 HG13 ILE A 6 2.669 -1.414 0.168 1.00 43.32 H new ATOM 0 HG21 ILE A 6 3.517 1.686 -0.618 1.00 13.53 H new ATOM 0 HG22 ILE A 6 2.002 2.452 -0.085 1.00 13.53 H new ATOM 0 HG23 ILE A 6 2.828 1.283 0.973 1.00 13.53 H new ATOM 0 HD11 ILE A 6 2.919 -2.788 -1.845 1.00 71.14 H new ATOM 0 HD12 ILE A 6 1.226 -2.273 -1.653 1.00 71.14 H new ATOM 0 HD13 ILE A 6 2.272 -1.468 -2.848 1.00 71.14 H new ATOM 92 N VAL A 7 -0.946 1.828 1.221 1.00 62.12 N ATOM 93 CA VAL A 7 -1.791 3.022 1.344 1.00 3.12 C ATOM 94 C VAL A 7 -0.889 4.241 1.544 1.00 34.23 C ATOM 95 O VAL A 7 -0.274 4.406 2.598 1.00 71.10 O ATOM 96 CB VAL A 7 -2.807 2.901 2.538 1.00 1.41 C ATOM 97 CG1 VAL A 7 -3.719 4.152 2.643 1.00 14.02 C ATOM 98 CG2 VAL A 7 -3.634 1.609 2.409 1.00 32.45 C ATOM 0 H VAL A 7 -0.784 1.346 2.106 1.00 62.12 H new ATOM 0 HA VAL A 7 -2.378 3.128 0.432 1.00 3.12 H new ATOM 0 HB VAL A 7 -2.235 2.849 3.464 1.00 1.41 H new ATOM 0 HG11 VAL A 7 -4.407 4.031 3.479 1.00 14.02 H new ATOM 0 HG12 VAL A 7 -3.104 5.038 2.804 1.00 14.02 H new ATOM 0 HG13 VAL A 7 -4.287 4.267 1.720 1.00 14.02 H new ATOM 0 HG21 VAL A 7 -4.333 1.539 3.243 1.00 32.45 H new ATOM 0 HG22 VAL A 7 -4.189 1.624 1.471 1.00 32.45 H new ATOM 0 HG23 VAL A 7 -2.967 0.747 2.422 1.00 32.45 H new ATOM 108 N VAL A 8 -0.800 5.063 0.498 1.00 32.14 N ATOM 109 CA VAL A 8 0.010 6.273 0.476 1.00 41.43 C ATOM 110 C VAL A 8 -0.916 7.503 0.511 1.00 2.41 C ATOM 111 O VAL A 8 -1.987 7.503 -0.113 1.00 63.41 O ATOM 112 CB VAL A 8 0.922 6.314 -0.804 1.00 34.52 C ATOM 113 CG1 VAL A 8 1.886 7.518 -0.785 1.00 33.31 C ATOM 114 CG2 VAL A 8 1.681 4.980 -0.998 1.00 0.45 C ATOM 0 H VAL A 8 -1.302 4.899 -0.375 1.00 32.14 H new ATOM 0 HA VAL A 8 0.661 6.280 1.351 1.00 41.43 H new ATOM 0 HB VAL A 8 0.265 6.446 -1.664 1.00 34.52 H new ATOM 0 HG11 VAL A 8 2.498 7.509 -1.687 1.00 33.31 H new ATOM 0 HG12 VAL A 8 1.312 8.443 -0.746 1.00 33.31 H new ATOM 0 HG13 VAL A 8 2.531 7.454 0.091 1.00 33.31 H new ATOM 0 HG21 VAL A 8 2.302 5.042 -1.891 1.00 0.45 H new ATOM 0 HG22 VAL A 8 2.312 4.791 -0.130 1.00 0.45 H new ATOM 0 HG23 VAL A 8 0.964 4.166 -1.110 1.00 0.45 H new ATOM 124 N SER A 9 -0.501 8.536 1.255 1.00 43.41 N ATOM 125 CA SER A 9 -1.232 9.807 1.354 1.00 52.31 C ATOM 126 C SER A 9 -0.254 10.922 1.728 1.00 21.32 C ATOM 127 O SER A 9 0.751 10.674 2.395 1.00 43.41 O ATOM 128 CB SER A 9 -2.369 9.702 2.395 1.00 21.31 C ATOM 129 OG SER A 9 -3.091 10.913 2.494 1.00 1.44 O ATOM 0 H SER A 9 0.356 8.514 1.808 1.00 43.41 H new ATOM 0 HA SER A 9 -1.686 10.038 0.390 1.00 52.31 H new ATOM 0 HB2 SER A 9 -3.046 8.895 2.116 1.00 21.31 H new ATOM 0 HB3 SER A 9 -1.951 9.445 3.368 1.00 21.31 H new ATOM 0 HG SER A 9 -3.835 10.904 1.856 1.00 1.44 H new ATOM 135 N ASN A 10 -0.563 12.148 1.283 1.00 4.20 N ATOM 136 CA ASN A 10 0.278 13.339 1.526 1.00 1.32 C ATOM 137 C ASN A 10 0.191 13.782 3.003 1.00 25.24 C ATOM 138 O ASN A 10 1.153 14.323 3.555 1.00 61.10 O ATOM 139 CB ASN A 10 -0.167 14.498 0.584 1.00 35.40 C ATOM 140 CG ASN A 10 0.693 15.768 0.694 1.00 23.42 C ATOM 141 OD1 ASN A 10 1.904 15.702 0.918 1.00 33.22 O ATOM 142 ND2 ASN A 10 0.073 16.930 0.563 1.00 64.04 N ATOM 0 H ASN A 10 -1.405 12.347 0.742 1.00 4.20 H new ATOM 0 HA ASN A 10 1.316 13.083 1.312 1.00 1.32 H new ATOM 0 HB2 ASN A 10 -0.141 14.144 -0.446 1.00 35.40 H new ATOM 0 HB3 ASN A 10 -1.203 14.754 0.807 1.00 35.40 H new ATOM 0 HD21 ASN A 10 0.598 17.800 0.647 1.00 64.04 H new ATOM 0 HD22 ASN A 10 -0.930 16.955 0.378 1.00 64.04 H new ATOM 149 N ASP A 11 -0.970 13.537 3.633 1.00 3.11 N ATOM 150 CA ASP A 11 -1.245 13.952 5.023 1.00 14.44 C ATOM 151 C ASP A 11 -1.249 12.719 5.957 1.00 72.52 C ATOM 152 O ASP A 11 -1.701 11.629 5.569 1.00 72.12 O ATOM 153 CB ASP A 11 -2.594 14.708 5.078 1.00 44.51 C ATOM 154 CG ASP A 11 -2.945 15.255 6.477 1.00 72.15 C ATOM 155 OD1 ASP A 11 -3.567 14.526 7.275 1.00 33.22 O ATOM 156 OD2 ASP A 11 -2.600 16.420 6.779 1.00 65.13 O ATOM 0 H ASP A 11 -1.748 13.044 3.193 1.00 3.11 H new ATOM 0 HA ASP A 11 -0.460 14.625 5.368 1.00 14.44 H new ATOM 0 HB2 ASP A 11 -2.564 15.537 4.371 1.00 44.51 H new ATOM 0 HB3 ASP A 11 -3.389 14.038 4.750 1.00 44.51 H new ATOM 161 N GLU A 12 -0.775 12.927 7.203 1.00 13.01 N ATOM 162 CA GLU A 12 -0.542 11.849 8.182 1.00 5.22 C ATOM 163 C GLU A 12 -1.842 11.443 8.904 1.00 73.04 C ATOM 164 O GLU A 12 -1.999 10.276 9.260 1.00 33.13 O ATOM 165 CB GLU A 12 0.539 12.283 9.207 1.00 31.10 C ATOM 166 CG GLU A 12 1.045 11.159 10.133 1.00 71.41 C ATOM 167 CD GLU A 12 2.034 11.661 11.196 1.00 73.23 C ATOM 168 OE1 GLU A 12 3.248 11.769 10.899 1.00 5.52 O ATOM 169 OE2 GLU A 12 1.598 11.977 12.325 1.00 42.52 O ATOM 0 H GLU A 12 -0.542 13.854 7.559 1.00 13.01 H new ATOM 0 HA GLU A 12 -0.185 10.975 7.638 1.00 5.22 H new ATOM 0 HB2 GLU A 12 1.389 12.696 8.664 1.00 31.10 H new ATOM 0 HB3 GLU A 12 0.133 13.086 9.823 1.00 31.10 H new ATOM 0 HG2 GLU A 12 0.194 10.692 10.628 1.00 71.41 H new ATOM 0 HG3 GLU A 12 1.526 10.388 9.531 1.00 71.41 H new ATOM 176 N ARG A 13 -2.774 12.403 9.116 1.00 43.41 N ATOM 177 CA ARG A 13 -4.099 12.096 9.715 1.00 61.35 C ATOM 178 C ARG A 13 -4.981 11.336 8.731 1.00 64.30 C ATOM 179 O ARG A 13 -5.905 10.648 9.158 1.00 52.13 O ATOM 180 CB ARG A 13 -4.879 13.333 10.207 1.00 35.11 C ATOM 181 CG ARG A 13 -4.273 14.069 11.414 1.00 22.23 C ATOM 182 CD ARG A 13 -5.263 15.079 12.029 1.00 5.21 C ATOM 183 NE ARG A 13 -5.938 15.895 10.992 1.00 44.41 N ATOM 184 CZ ARG A 13 -7.212 16.324 11.042 1.00 64.04 C ATOM 185 NH1 ARG A 13 -7.991 16.041 12.083 1.00 51.43 N ATOM 186 NH2 ARG A 13 -7.705 17.009 10.025 1.00 41.33 N ATOM 0 H ARG A 13 -2.637 13.387 8.885 1.00 43.41 H new ATOM 0 HA ARG A 13 -3.869 11.486 10.588 1.00 61.35 H new ATOM 0 HB2 ARG A 13 -4.964 14.038 9.380 1.00 35.11 H new ATOM 0 HB3 ARG A 13 -5.891 13.022 10.466 1.00 35.11 H new ATOM 0 HG2 ARG A 13 -3.978 13.343 12.171 1.00 22.23 H new ATOM 0 HG3 ARG A 13 -3.368 14.591 11.104 1.00 22.23 H new ATOM 0 HD2 ARG A 13 -6.011 14.544 12.613 1.00 5.21 H new ATOM 0 HD3 ARG A 13 -4.731 15.735 12.718 1.00 5.21 H new ATOM 0 HE ARG A 13 -5.390 16.153 10.171 1.00 44.41 H new ATOM 0 HH11 ARG A 13 -7.624 15.491 12.860 1.00 51.43 H new ATOM 0 HH12 ARG A 13 -8.955 16.374 12.104 1.00 51.43 H new ATOM 0 HH21 ARG A 13 -7.121 17.208 9.213 1.00 41.33 H new ATOM 0 HH22 ARG A 13 -8.670 17.339 10.052 1.00 41.33 H new ATOM 200 N ILE A 14 -4.737 11.521 7.424 1.00 44.13 N ATOM 201 CA ILE A 14 -5.412 10.730 6.383 1.00 23.13 C ATOM 202 C ILE A 14 -4.879 9.289 6.422 1.00 62.25 C ATOM 203 O ILE A 14 -5.649 8.347 6.320 1.00 14.31 O ATOM 204 CB ILE A 14 -5.245 11.365 4.953 1.00 73.34 C ATOM 205 CG1 ILE A 14 -5.728 12.848 4.952 1.00 45.41 C ATOM 206 CG2 ILE A 14 -5.997 10.547 3.870 1.00 63.23 C ATOM 207 CD1 ILE A 14 -7.167 13.066 5.392 1.00 62.33 C ATOM 0 H ILE A 14 -4.078 12.211 7.063 1.00 44.13 H new ATOM 0 HA ILE A 14 -6.482 10.726 6.590 1.00 23.13 H new ATOM 0 HB ILE A 14 -4.184 11.341 4.705 1.00 73.34 H new ATOM 0 HG12 ILE A 14 -5.075 13.425 5.606 1.00 45.41 H new ATOM 0 HG13 ILE A 14 -5.609 13.250 3.946 1.00 45.41 H new ATOM 0 HG21 ILE A 14 -5.858 11.017 2.897 1.00 63.23 H new ATOM 0 HG22 ILE A 14 -5.603 9.531 3.842 1.00 63.23 H new ATOM 0 HG23 ILE A 14 -7.060 10.517 4.109 1.00 63.23 H new ATOM 0 HD11 ILE A 14 -7.402 14.130 5.355 1.00 62.33 H new ATOM 0 HD12 ILE A 14 -7.837 12.523 4.726 1.00 62.33 H new ATOM 0 HD13 ILE A 14 -7.295 12.701 6.411 1.00 62.33 H new ATOM 219 N LEU A 15 -3.554 9.140 6.612 1.00 43.22 N ATOM 220 CA LEU A 15 -2.931 7.824 6.869 1.00 45.24 C ATOM 221 C LEU A 15 -3.479 7.203 8.169 1.00 10.24 C ATOM 222 O LEU A 15 -3.648 5.994 8.251 1.00 3.21 O ATOM 223 CB LEU A 15 -1.378 7.937 6.942 1.00 11.43 C ATOM 224 CG LEU A 15 -0.641 8.175 5.585 1.00 34.45 C ATOM 225 CD1 LEU A 15 0.882 8.372 5.800 1.00 70.33 C ATOM 226 CD2 LEU A 15 -0.929 7.016 4.594 1.00 1.52 C ATOM 0 H LEU A 15 -2.892 9.916 6.593 1.00 43.22 H new ATOM 0 HA LEU A 15 -3.187 7.172 6.034 1.00 45.24 H new ATOM 0 HB2 LEU A 15 -1.125 8.754 7.618 1.00 11.43 H new ATOM 0 HB3 LEU A 15 -0.988 7.022 7.388 1.00 11.43 H new ATOM 0 HG LEU A 15 -1.028 9.095 5.146 1.00 34.45 H new ATOM 0 HD11 LEU A 15 1.367 8.535 4.838 1.00 70.33 H new ATOM 0 HD12 LEU A 15 1.050 9.236 6.442 1.00 70.33 H new ATOM 0 HD13 LEU A 15 1.301 7.483 6.271 1.00 70.33 H new ATOM 0 HD21 LEU A 15 -0.406 7.201 3.656 1.00 1.52 H new ATOM 0 HD22 LEU A 15 -0.582 6.076 5.023 1.00 1.52 H new ATOM 0 HD23 LEU A 15 -2.001 6.956 4.407 1.00 1.52 H new ATOM 238 N GLU A 16 -3.733 8.050 9.175 1.00 51.35 N ATOM 239 CA GLU A 16 -4.252 7.621 10.488 1.00 41.01 C ATOM 240 C GLU A 16 -5.725 7.197 10.410 1.00 21.25 C ATOM 241 O GLU A 16 -6.103 6.187 10.987 1.00 20.22 O ATOM 242 CB GLU A 16 -4.050 8.748 11.551 1.00 22.11 C ATOM 243 CG GLU A 16 -2.657 8.750 12.215 1.00 33.42 C ATOM 244 CD GLU A 16 -2.499 7.618 13.247 1.00 23.45 C ATOM 245 OE1 GLU A 16 -2.282 6.452 12.847 1.00 1.21 O ATOM 246 OE2 GLU A 16 -2.611 7.886 14.462 1.00 53.23 O ATOM 0 H GLU A 16 -3.585 9.057 9.105 1.00 51.35 H new ATOM 0 HA GLU A 16 -3.682 6.745 10.798 1.00 41.01 H new ATOM 0 HB2 GLU A 16 -4.214 9.715 11.075 1.00 22.11 H new ATOM 0 HB3 GLU A 16 -4.809 8.641 12.326 1.00 22.11 H new ATOM 0 HG2 GLU A 16 -1.891 8.647 11.447 1.00 33.42 H new ATOM 0 HG3 GLU A 16 -2.492 9.710 12.704 1.00 33.42 H new ATOM 253 N GLU A 17 -6.533 7.970 9.680 1.00 23.34 N ATOM 254 CA GLU A 17 -7.973 7.722 9.533 1.00 52.24 C ATOM 255 C GLU A 17 -8.193 6.450 8.714 1.00 25.15 C ATOM 256 O GLU A 17 -8.933 5.551 9.123 1.00 31.42 O ATOM 257 CB GLU A 17 -8.647 8.944 8.867 1.00 74.01 C ATOM 258 CG GLU A 17 -10.147 8.776 8.605 1.00 20.03 C ATOM 259 CD GLU A 17 -10.827 10.080 8.178 1.00 52.13 C ATOM 260 OE1 GLU A 17 -10.697 10.472 7.000 1.00 0.23 O ATOM 261 OE2 GLU A 17 -11.495 10.714 9.021 1.00 54.41 O ATOM 0 H GLU A 17 -6.206 8.791 9.170 1.00 23.34 H new ATOM 0 HA GLU A 17 -8.427 7.578 10.514 1.00 52.24 H new ATOM 0 HB2 GLU A 17 -8.497 9.817 9.502 1.00 74.01 H new ATOM 0 HB3 GLU A 17 -8.146 9.149 7.921 1.00 74.01 H new ATOM 0 HG2 GLU A 17 -10.293 8.025 7.829 1.00 20.03 H new ATOM 0 HG3 GLU A 17 -10.628 8.400 9.508 1.00 20.03 H new ATOM 268 N LEU A 18 -7.493 6.388 7.575 1.00 62.32 N ATOM 269 CA LEU A 18 -7.481 5.225 6.673 1.00 12.22 C ATOM 270 C LEU A 18 -6.880 3.986 7.377 1.00 0.11 C ATOM 271 O LEU A 18 -7.244 2.860 7.041 1.00 62.34 O ATOM 272 CB LEU A 18 -6.741 5.577 5.339 1.00 15.13 C ATOM 273 CG LEU A 18 -7.593 6.311 4.230 1.00 44.54 C ATOM 274 CD1 LEU A 18 -8.343 7.562 4.757 1.00 24.43 C ATOM 275 CD2 LEU A 18 -6.709 6.664 3.004 1.00 5.21 C ATOM 0 H LEU A 18 -6.908 7.157 7.247 1.00 62.32 H new ATOM 0 HA LEU A 18 -8.508 4.968 6.413 1.00 12.22 H new ATOM 0 HB2 LEU A 18 -5.883 6.205 5.581 1.00 15.13 H new ATOM 0 HB3 LEU A 18 -6.350 4.653 4.912 1.00 15.13 H new ATOM 0 HG LEU A 18 -8.365 5.608 3.919 1.00 44.54 H new ATOM 0 HD11 LEU A 18 -8.908 8.017 3.943 1.00 24.43 H new ATOM 0 HD12 LEU A 18 -9.027 7.268 5.553 1.00 24.43 H new ATOM 0 HD13 LEU A 18 -7.622 8.282 5.145 1.00 24.43 H new ATOM 0 HD21 LEU A 18 -7.315 7.169 2.252 1.00 5.21 H new ATOM 0 HD22 LEU A 18 -5.898 7.321 3.317 1.00 5.21 H new ATOM 0 HD23 LEU A 18 -6.292 5.750 2.581 1.00 5.21 H new ATOM 287 N LEU A 19 -5.971 4.214 8.362 1.00 73.33 N ATOM 288 CA LEU A 19 -5.456 3.135 9.242 1.00 23.42 C ATOM 289 C LEU A 19 -6.604 2.546 10.060 1.00 42.11 C ATOM 290 O LEU A 19 -6.816 1.342 10.065 1.00 24.55 O ATOM 291 CB LEU A 19 -4.350 3.652 10.211 1.00 22.32 C ATOM 292 CG LEU A 19 -3.659 2.564 11.105 1.00 2.11 C ATOM 293 CD1 LEU A 19 -2.637 1.728 10.304 1.00 64.32 C ATOM 294 CD2 LEU A 19 -3.031 3.177 12.374 1.00 4.15 C ATOM 0 H LEU A 19 -5.581 5.135 8.565 1.00 73.33 H new ATOM 0 HA LEU A 19 -5.015 2.371 8.602 1.00 23.42 H new ATOM 0 HB2 LEU A 19 -3.581 4.151 9.621 1.00 22.32 H new ATOM 0 HB3 LEU A 19 -4.790 4.406 10.864 1.00 22.32 H new ATOM 0 HG LEU A 19 -4.441 1.880 11.436 1.00 2.11 H new ATOM 0 HD11 LEU A 19 -2.181 0.986 10.959 1.00 64.32 H new ATOM 0 HD12 LEU A 19 -3.144 1.223 9.482 1.00 64.32 H new ATOM 0 HD13 LEU A 19 -1.864 2.384 9.905 1.00 64.32 H new ATOM 0 HD21 LEU A 19 -2.563 2.390 12.965 1.00 4.15 H new ATOM 0 HD22 LEU A 19 -2.279 3.912 12.089 1.00 4.15 H new ATOM 0 HD23 LEU A 19 -3.807 3.662 12.966 1.00 4.15 H new ATOM 306 N GLU A 20 -7.354 3.441 10.717 1.00 1.42 N ATOM 307 CA GLU A 20 -8.468 3.082 11.604 1.00 30.12 C ATOM 308 C GLU A 20 -9.592 2.375 10.826 1.00 43.23 C ATOM 309 O GLU A 20 -10.271 1.521 11.382 1.00 74.01 O ATOM 310 CB GLU A 20 -8.989 4.346 12.331 1.00 22.53 C ATOM 311 CG GLU A 20 -7.916 5.042 13.192 1.00 43.05 C ATOM 312 CD GLU A 20 -8.378 6.389 13.786 1.00 43.53 C ATOM 313 OE1 GLU A 20 -8.983 6.391 14.884 1.00 32.40 O ATOM 314 OE2 GLU A 20 -8.131 7.449 13.162 1.00 74.43 O ATOM 0 H GLU A 20 -7.202 4.447 10.646 1.00 1.42 H new ATOM 0 HA GLU A 20 -8.107 2.378 12.354 1.00 30.12 H new ATOM 0 HB2 GLU A 20 -9.365 5.053 11.591 1.00 22.53 H new ATOM 0 HB3 GLU A 20 -9.831 4.070 12.966 1.00 22.53 H new ATOM 0 HG2 GLU A 20 -7.627 4.376 14.005 1.00 43.05 H new ATOM 0 HG3 GLU A 20 -7.026 5.208 12.584 1.00 43.05 H new ATOM 321 N VAL A 21 -9.751 2.730 9.530 1.00 51.13 N ATOM 322 CA VAL A 21 -10.703 2.061 8.614 1.00 43.44 C ATOM 323 C VAL A 21 -10.313 0.583 8.416 1.00 24.13 C ATOM 324 O VAL A 21 -11.160 -0.317 8.514 1.00 54.10 O ATOM 325 CB VAL A 21 -10.783 2.789 7.215 1.00 32.54 C ATOM 326 CG1 VAL A 21 -11.711 2.044 6.216 1.00 23.04 C ATOM 327 CG2 VAL A 21 -11.232 4.256 7.388 1.00 11.11 C ATOM 0 H VAL A 21 -9.225 3.486 9.091 1.00 51.13 H new ATOM 0 HA VAL A 21 -11.689 2.115 9.076 1.00 43.44 H new ATOM 0 HB VAL A 21 -9.780 2.777 6.790 1.00 32.54 H new ATOM 0 HG11 VAL A 21 -11.733 2.583 5.269 1.00 23.04 H new ATOM 0 HG12 VAL A 21 -11.332 1.035 6.051 1.00 23.04 H new ATOM 0 HG13 VAL A 21 -12.719 1.990 6.627 1.00 23.04 H new ATOM 0 HG21 VAL A 21 -11.281 4.739 6.412 1.00 11.11 H new ATOM 0 HG22 VAL A 21 -12.216 4.283 7.855 1.00 11.11 H new ATOM 0 HG23 VAL A 21 -10.517 4.784 8.019 1.00 11.11 H new ATOM 337 N VAL A 22 -9.014 0.359 8.159 1.00 43.23 N ATOM 338 CA VAL A 22 -8.448 -0.984 7.972 1.00 52.21 C ATOM 339 C VAL A 22 -8.492 -1.789 9.302 1.00 14.31 C ATOM 340 O VAL A 22 -8.785 -2.985 9.300 1.00 12.31 O ATOM 341 CB VAL A 22 -6.975 -0.886 7.412 1.00 70.34 C ATOM 342 CG1 VAL A 22 -6.315 -2.272 7.290 1.00 3.43 C ATOM 343 CG2 VAL A 22 -6.943 -0.147 6.046 1.00 24.40 C ATOM 0 H VAL A 22 -8.326 1.107 8.075 1.00 43.23 H new ATOM 0 HA VAL A 22 -9.054 -1.519 7.240 1.00 52.21 H new ATOM 0 HB VAL A 22 -6.398 -0.306 8.132 1.00 70.34 H new ATOM 0 HG11 VAL A 22 -5.303 -2.160 6.901 1.00 3.43 H new ATOM 0 HG12 VAL A 22 -6.276 -2.744 8.272 1.00 3.43 H new ATOM 0 HG13 VAL A 22 -6.898 -2.894 6.611 1.00 3.43 H new ATOM 0 HG21 VAL A 22 -5.916 -0.095 5.685 1.00 24.40 H new ATOM 0 HG22 VAL A 22 -7.554 -0.689 5.325 1.00 24.40 H new ATOM 0 HG23 VAL A 22 -7.336 0.862 6.169 1.00 24.40 H new ATOM 353 N LEU A 23 -8.229 -1.104 10.429 1.00 42.11 N ATOM 354 CA LEU A 23 -8.154 -1.732 11.772 1.00 61.10 C ATOM 355 C LEU A 23 -9.536 -2.137 12.325 1.00 45.40 C ATOM 356 O LEU A 23 -9.651 -3.161 13.004 1.00 51.33 O ATOM 357 CB LEU A 23 -7.403 -0.783 12.767 1.00 63.53 C ATOM 358 CG LEU A 23 -5.863 -1.018 12.897 1.00 34.01 C ATOM 359 CD1 LEU A 23 -5.144 -0.914 11.538 1.00 11.52 C ATOM 360 CD2 LEU A 23 -5.245 -0.063 13.940 1.00 13.54 C ATOM 0 H LEU A 23 -8.061 -0.098 10.441 1.00 42.11 H new ATOM 0 HA LEU A 23 -7.589 -2.658 11.665 1.00 61.10 H new ATOM 0 HB2 LEU A 23 -7.569 0.247 12.453 1.00 63.53 H new ATOM 0 HB3 LEU A 23 -7.853 -0.892 13.754 1.00 63.53 H new ATOM 0 HG LEU A 23 -5.719 -2.039 13.250 1.00 34.01 H new ATOM 0 HD11 LEU A 23 -4.076 -1.084 11.677 1.00 11.52 H new ATOM 0 HD12 LEU A 23 -5.545 -1.664 10.856 1.00 11.52 H new ATOM 0 HD13 LEU A 23 -5.301 0.080 11.118 1.00 11.52 H new ATOM 0 HD21 LEU A 23 -4.173 -0.247 14.011 1.00 13.54 H new ATOM 0 HD22 LEU A 23 -5.417 0.969 13.635 1.00 13.54 H new ATOM 0 HD23 LEU A 23 -5.708 -0.236 14.911 1.00 13.54 H new ATOM 372 N LYS A 24 -10.571 -1.323 12.058 1.00 62.12 N ATOM 373 CA LYS A 24 -11.950 -1.601 12.541 1.00 72.10 C ATOM 374 C LYS A 24 -12.620 -2.685 11.671 1.00 1.12 C ATOM 375 O LYS A 24 -13.595 -3.312 12.094 1.00 31.21 O ATOM 376 CB LYS A 24 -12.807 -0.300 12.559 1.00 71.33 C ATOM 377 CG LYS A 24 -13.139 0.261 11.161 1.00 71.45 C ATOM 378 CD LYS A 24 -13.933 1.582 11.194 1.00 1.21 C ATOM 379 CE LYS A 24 -14.272 2.088 9.777 1.00 10.13 C ATOM 380 NZ LYS A 24 -14.884 3.439 9.794 1.00 11.35 N ATOM 0 H LYS A 24 -10.487 -0.466 11.511 1.00 62.12 H new ATOM 0 HA LYS A 24 -11.883 -1.973 13.563 1.00 72.10 H new ATOM 0 HB2 LYS A 24 -13.739 -0.500 13.088 1.00 71.33 H new ATOM 0 HB3 LYS A 24 -12.275 0.463 13.127 1.00 71.33 H new ATOM 0 HG2 LYS A 24 -12.210 0.420 10.613 1.00 71.45 H new ATOM 0 HG3 LYS A 24 -13.712 -0.483 10.608 1.00 71.45 H new ATOM 0 HD2 LYS A 24 -14.855 1.437 11.757 1.00 1.21 H new ATOM 0 HD3 LYS A 24 -13.354 2.340 11.721 1.00 1.21 H new ATOM 0 HE2 LYS A 24 -13.364 2.110 9.175 1.00 10.13 H new ATOM 0 HE3 LYS A 24 -14.956 1.388 9.297 1.00 10.13 H new ATOM 0 HZ1 LYS A 24 -15.094 3.737 8.820 1.00 11.35 H new ATOM 0 HZ2 LYS A 24 -15.765 3.414 10.346 1.00 11.35 H new ATOM 0 HZ3 LYS A 24 -14.222 4.114 10.227 1.00 11.35 H new ATOM 394 N SER A 25 -12.093 -2.867 10.445 1.00 54.22 N ATOM 395 CA SER A 25 -12.534 -3.914 9.517 1.00 74.31 C ATOM 396 C SER A 25 -11.822 -5.240 9.865 1.00 5.42 C ATOM 397 O SER A 25 -12.439 -6.171 10.411 1.00 52.34 O ATOM 398 CB SER A 25 -12.245 -3.465 8.054 1.00 24.02 C ATOM 399 OG SER A 25 -12.707 -4.409 7.098 1.00 14.41 O ATOM 0 H SER A 25 -11.343 -2.284 10.072 1.00 54.22 H new ATOM 0 HA SER A 25 -13.608 -4.077 9.609 1.00 74.31 H new ATOM 0 HB2 SER A 25 -12.723 -2.503 7.871 1.00 24.02 H new ATOM 0 HB3 SER A 25 -11.172 -3.318 7.927 1.00 24.02 H new ATOM 0 HG SER A 25 -12.211 -5.248 7.200 1.00 14.41 H new ATOM 405 N ASP A 26 -10.504 -5.295 9.584 1.00 71.54 N ATOM 406 CA ASP A 26 -9.662 -6.489 9.804 1.00 5.44 C ATOM 407 C ASP A 26 -8.333 -6.095 10.496 1.00 73.34 C ATOM 408 O ASP A 26 -7.369 -5.715 9.818 1.00 12.22 O ATOM 409 CB ASP A 26 -9.382 -7.218 8.458 1.00 31.32 C ATOM 410 CG ASP A 26 -10.628 -7.903 7.879 1.00 74.04 C ATOM 411 OD1 ASP A 26 -10.888 -9.071 8.251 1.00 24.21 O ATOM 412 OD2 ASP A 26 -11.368 -7.272 7.082 1.00 61.40 O ATOM 0 H ASP A 26 -9.990 -4.505 9.195 1.00 71.54 H new ATOM 0 HA ASP A 26 -10.202 -7.174 10.458 1.00 5.44 H new ATOM 0 HB2 ASP A 26 -8.999 -6.499 7.734 1.00 31.32 H new ATOM 0 HB3 ASP A 26 -8.601 -7.963 8.610 1.00 31.32 H new ATOM 417 N PRO A 27 -8.271 -6.159 11.872 1.00 41.14 N ATOM 418 CA PRO A 27 -7.019 -5.904 12.632 1.00 42.54 C ATOM 419 C PRO A 27 -6.017 -7.080 12.548 1.00 64.22 C ATOM 420 O PRO A 27 -4.870 -6.946 12.971 1.00 4.10 O ATOM 421 CB PRO A 27 -7.529 -5.683 14.078 1.00 55.13 C ATOM 422 CG PRO A 27 -8.796 -6.480 14.173 1.00 44.14 C ATOM 423 CD PRO A 27 -9.418 -6.449 12.787 1.00 34.45 C ATOM 0 HA PRO A 27 -6.457 -5.058 12.237 1.00 42.54 H new ATOM 0 HB2 PRO A 27 -6.796 -6.020 14.810 1.00 55.13 H new ATOM 0 HB3 PRO A 27 -7.712 -4.627 14.274 1.00 55.13 H new ATOM 0 HG2 PRO A 27 -8.590 -7.504 14.485 1.00 44.14 H new ATOM 0 HG3 PRO A 27 -9.472 -6.051 14.913 1.00 44.14 H new ATOM 0 HD2 PRO A 27 -9.891 -7.400 12.542 1.00 34.45 H new ATOM 0 HD3 PRO A 27 -10.189 -5.682 12.714 1.00 34.45 H new ATOM 431 N ASN A 28 -6.472 -8.228 12.000 1.00 62.41 N ATOM 432 CA ASN A 28 -5.629 -9.434 11.822 1.00 62.14 C ATOM 433 C ASN A 28 -4.520 -9.192 10.780 1.00 21.14 C ATOM 434 O ASN A 28 -3.443 -9.797 10.846 1.00 52.13 O ATOM 435 CB ASN A 28 -6.492 -10.662 11.412 1.00 42.33 C ATOM 436 CG ASN A 28 -7.135 -10.523 10.026 1.00 10.42 C ATOM 437 OD1 ASN A 28 -6.544 -10.904 9.014 1.00 3.54 O ATOM 438 ND2 ASN A 28 -8.343 -9.997 9.970 1.00 24.24 N ATOM 0 H ASN A 28 -7.430 -8.346 11.669 1.00 62.41 H new ATOM 0 HA ASN A 28 -5.157 -9.646 12.781 1.00 62.14 H new ATOM 0 HB2 ASN A 28 -5.868 -11.556 11.426 1.00 42.33 H new ATOM 0 HB3 ASN A 28 -7.276 -10.809 12.155 1.00 42.33 H new ATOM 0 HD21 ASN A 28 -8.814 -9.896 9.071 1.00 24.24 H new ATOM 0 HD22 ASN A 28 -8.806 -9.691 10.826 1.00 24.24 H new ATOM 445 N VAL A 29 -4.812 -8.297 9.827 1.00 1.22 N ATOM 446 CA VAL A 29 -3.915 -7.963 8.715 1.00 2.21 C ATOM 447 C VAL A 29 -2.728 -7.114 9.229 1.00 65.32 C ATOM 448 O VAL A 29 -2.908 -6.262 10.110 1.00 3.52 O ATOM 449 CB VAL A 29 -4.717 -7.198 7.592 1.00 73.35 C ATOM 450 CG1 VAL A 29 -3.826 -6.837 6.390 1.00 40.11 C ATOM 451 CG2 VAL A 29 -5.948 -8.025 7.145 1.00 12.41 C ATOM 0 H VAL A 29 -5.690 -7.778 9.807 1.00 1.22 H new ATOM 0 HA VAL A 29 -3.514 -8.880 8.284 1.00 2.21 H new ATOM 0 HB VAL A 29 -5.067 -6.259 8.020 1.00 73.35 H new ATOM 0 HG11 VAL A 29 -4.420 -6.312 5.642 1.00 40.11 H new ATOM 0 HG12 VAL A 29 -3.010 -6.195 6.722 1.00 40.11 H new ATOM 0 HG13 VAL A 29 -3.416 -7.748 5.954 1.00 40.11 H new ATOM 0 HG21 VAL A 29 -6.489 -7.482 6.370 1.00 12.41 H new ATOM 0 HG22 VAL A 29 -5.617 -8.986 6.751 1.00 12.41 H new ATOM 0 HG23 VAL A 29 -6.605 -8.190 7.999 1.00 12.41 H new ATOM 461 N LYS A 30 -1.518 -7.370 8.676 1.00 64.43 N ATOM 462 CA LYS A 30 -0.277 -6.690 9.098 1.00 12.40 C ATOM 463 C LYS A 30 -0.246 -5.229 8.610 1.00 72.44 C ATOM 464 O LYS A 30 0.205 -4.938 7.507 1.00 4.15 O ATOM 465 CB LYS A 30 0.976 -7.484 8.608 1.00 72.44 C ATOM 466 CG LYS A 30 1.264 -8.771 9.412 1.00 24.13 C ATOM 467 CD LYS A 30 1.514 -8.471 10.913 1.00 13.33 C ATOM 468 CE LYS A 30 1.897 -9.718 11.718 1.00 50.41 C ATOM 469 NZ LYS A 30 2.051 -9.413 13.167 1.00 32.01 N ATOM 0 H LYS A 30 -1.379 -8.051 7.929 1.00 64.43 H new ATOM 0 HA LYS A 30 -0.255 -6.666 10.188 1.00 12.40 H new ATOM 0 HB2 LYS A 30 0.838 -7.747 7.559 1.00 72.44 H new ATOM 0 HB3 LYS A 30 1.849 -6.833 8.661 1.00 72.44 H new ATOM 0 HG2 LYS A 30 0.422 -9.456 9.314 1.00 24.13 H new ATOM 0 HG3 LYS A 30 2.135 -9.274 8.992 1.00 24.13 H new ATOM 0 HD2 LYS A 30 2.308 -7.730 11.002 1.00 13.33 H new ATOM 0 HD3 LYS A 30 0.616 -8.029 11.344 1.00 13.33 H new ATOM 0 HE2 LYS A 30 1.133 -10.484 11.587 1.00 50.41 H new ATOM 0 HE3 LYS A 30 2.830 -10.128 11.331 1.00 50.41 H new ATOM 0 HZ1 LYS A 30 2.310 -10.281 13.679 1.00 32.01 H new ATOM 0 HZ2 LYS A 30 2.797 -8.700 13.294 1.00 32.01 H new ATOM 0 HZ3 LYS A 30 1.153 -9.045 13.542 1.00 32.01 H new ATOM 483 N THR A 31 -0.768 -4.332 9.451 1.00 35.11 N ATOM 484 CA THR A 31 -0.840 -2.895 9.174 1.00 21.01 C ATOM 485 C THR A 31 0.360 -2.166 9.803 1.00 21.21 C ATOM 486 O THR A 31 0.399 -1.932 11.019 1.00 11.44 O ATOM 487 CB THR A 31 -2.181 -2.325 9.721 1.00 20.54 C ATOM 488 OG1 THR A 31 -2.301 -2.602 11.129 1.00 44.12 O ATOM 489 CG2 THR A 31 -3.380 -2.941 8.989 1.00 13.41 C ATOM 0 H THR A 31 -1.159 -4.588 10.358 1.00 35.11 H new ATOM 0 HA THR A 31 -0.803 -2.735 8.096 1.00 21.01 H new ATOM 0 HB THR A 31 -2.177 -1.248 9.554 1.00 20.54 H new ATOM 0 HG1 THR A 31 -1.440 -2.440 11.569 1.00 44.12 H new ATOM 0 HG21 THR A 31 -4.304 -2.525 9.391 1.00 13.41 H new ATOM 0 HG22 THR A 31 -3.312 -2.714 7.925 1.00 13.41 H new ATOM 0 HG23 THR A 31 -3.377 -4.022 9.130 1.00 13.41 H new ATOM 497 N VAL A 32 1.358 -1.845 8.965 1.00 54.02 N ATOM 498 CA VAL A 32 2.628 -1.251 9.419 1.00 72.24 C ATOM 499 C VAL A 32 2.882 0.064 8.661 1.00 54.52 C ATOM 500 O VAL A 32 2.941 0.068 7.429 1.00 53.41 O ATOM 501 CB VAL A 32 3.830 -2.242 9.173 1.00 61.11 C ATOM 502 CG1 VAL A 32 5.167 -1.645 9.686 1.00 34.11 C ATOM 503 CG2 VAL A 32 3.556 -3.635 9.800 1.00 40.54 C ATOM 0 H VAL A 32 1.309 -1.989 7.956 1.00 54.02 H new ATOM 0 HA VAL A 32 2.555 -1.053 10.488 1.00 72.24 H new ATOM 0 HB VAL A 32 3.923 -2.382 8.096 1.00 61.11 H new ATOM 0 HG11 VAL A 32 5.976 -2.352 9.502 1.00 34.11 H new ATOM 0 HG12 VAL A 32 5.374 -0.712 9.161 1.00 34.11 H new ATOM 0 HG13 VAL A 32 5.092 -1.450 10.756 1.00 34.11 H new ATOM 0 HG21 VAL A 32 4.405 -4.292 9.611 1.00 40.54 H new ATOM 0 HG22 VAL A 32 3.412 -3.528 10.875 1.00 40.54 H new ATOM 0 HG23 VAL A 32 2.659 -4.064 9.355 1.00 40.54 H new ATOM 513 N ARG A 33 3.019 1.177 9.407 1.00 41.32 N ATOM 514 CA ARG A 33 3.433 2.463 8.830 1.00 24.20 C ATOM 515 C ARG A 33 4.937 2.637 9.047 1.00 23.21 C ATOM 516 O ARG A 33 5.389 2.878 10.177 1.00 15.45 O ATOM 517 CB ARG A 33 2.657 3.653 9.460 1.00 31.22 C ATOM 518 CG ARG A 33 2.971 5.023 8.794 1.00 32.33 C ATOM 519 CD ARG A 33 2.116 6.172 9.345 1.00 34.21 C ATOM 520 NE ARG A 33 0.669 5.861 9.277 1.00 71.41 N ATOM 521 CZ ARG A 33 -0.188 5.973 10.300 1.00 52.43 C ATOM 522 NH1 ARG A 33 0.233 6.396 11.489 1.00 61.04 N ATOM 523 NH2 ARG A 33 -1.461 5.639 10.142 1.00 43.11 N ATOM 0 H ARG A 33 2.848 1.207 10.412 1.00 41.32 H new ATOM 0 HA ARG A 33 3.204 2.458 7.764 1.00 24.20 H new ATOM 0 HB2 ARG A 33 1.587 3.459 9.385 1.00 31.22 H new ATOM 0 HB3 ARG A 33 2.897 3.711 10.522 1.00 31.22 H new ATOM 0 HG2 ARG A 33 4.025 5.259 8.942 1.00 32.33 H new ATOM 0 HG3 ARG A 33 2.811 4.942 7.719 1.00 32.33 H new ATOM 0 HD2 ARG A 33 2.397 6.371 10.379 1.00 34.21 H new ATOM 0 HD3 ARG A 33 2.320 7.081 8.779 1.00 34.21 H new ATOM 0 HE ARG A 33 0.298 5.537 8.384 1.00 71.41 H new ATOM 0 HH11 ARG A 33 1.214 6.638 11.626 1.00 61.04 H new ATOM 0 HH12 ARG A 33 -0.426 6.479 12.263 1.00 61.04 H new ATOM 0 HH21 ARG A 33 -1.790 5.296 9.240 1.00 43.11 H new ATOM 0 HH22 ARG A 33 -2.112 5.725 10.923 1.00 43.11 H new ATOM 537 N THR A 34 5.700 2.465 7.964 1.00 54.22 N ATOM 538 CA THR A 34 7.142 2.711 7.948 1.00 72.11 C ATOM 539 C THR A 34 7.571 3.015 6.510 1.00 4.55 C ATOM 540 O THR A 34 7.154 2.333 5.574 1.00 64.04 O ATOM 541 CB THR A 34 7.972 1.501 8.526 1.00 13.23 C ATOM 542 OG1 THR A 34 9.371 1.843 8.576 1.00 10.55 O ATOM 543 CG2 THR A 34 7.787 0.197 7.717 1.00 14.33 C ATOM 0 H THR A 34 5.330 2.149 7.068 1.00 54.22 H new ATOM 0 HA THR A 34 7.349 3.562 8.597 1.00 72.11 H new ATOM 0 HB THR A 34 7.591 1.312 9.530 1.00 13.23 H new ATOM 0 HG1 THR A 34 9.649 1.949 9.510 1.00 10.55 H new ATOM 0 HG21 THR A 34 8.384 -0.597 8.165 1.00 14.33 H new ATOM 0 HG22 THR A 34 6.736 -0.090 7.725 1.00 14.33 H new ATOM 0 HG23 THR A 34 8.111 0.358 6.689 1.00 14.33 H new ATOM 551 N ASP A 35 8.366 4.074 6.346 1.00 53.21 N ATOM 552 CA ASP A 35 8.982 4.444 5.056 1.00 31.12 C ATOM 553 C ASP A 35 10.390 3.836 4.934 1.00 13.31 C ATOM 554 O ASP A 35 11.009 3.931 3.872 1.00 73.34 O ATOM 555 CB ASP A 35 9.036 5.990 4.899 1.00 51.50 C ATOM 556 CG ASP A 35 9.842 6.693 6.012 1.00 63.44 C ATOM 557 OD1 ASP A 35 9.339 6.763 7.154 1.00 50.33 O ATOM 558 OD2 ASP A 35 10.958 7.194 5.751 1.00 24.33 O ATOM 0 H ASP A 35 8.607 4.709 7.107 1.00 53.21 H new ATOM 0 HA ASP A 35 8.365 4.040 4.253 1.00 31.12 H new ATOM 0 HB2 ASP A 35 9.477 6.234 3.932 1.00 51.50 H new ATOM 0 HB3 ASP A 35 8.019 6.383 4.894 1.00 51.50 H new ATOM 563 N ASP A 36 10.874 3.204 6.031 1.00 34.12 N ATOM 564 CA ASP A 36 12.188 2.536 6.076 1.00 73.11 C ATOM 565 C ASP A 36 12.203 1.360 5.090 1.00 25.41 C ATOM 566 O ASP A 36 11.560 0.340 5.331 1.00 71.43 O ATOM 567 CB ASP A 36 12.502 2.049 7.516 1.00 73.44 C ATOM 568 CG ASP A 36 13.898 1.413 7.671 1.00 43.42 C ATOM 569 OD1 ASP A 36 14.872 1.929 7.085 1.00 24.51 O ATOM 570 OD2 ASP A 36 14.033 0.425 8.415 1.00 52.50 O ATOM 0 H ASP A 36 10.359 3.146 6.909 1.00 34.12 H new ATOM 0 HA ASP A 36 12.960 3.249 5.786 1.00 73.11 H new ATOM 0 HB2 ASP A 36 12.420 2.894 8.200 1.00 73.44 H new ATOM 0 HB3 ASP A 36 11.747 1.322 7.816 1.00 73.44 H new ATOM 575 N LYS A 37 12.951 1.552 3.991 1.00 62.40 N ATOM 576 CA LYS A 37 12.961 0.678 2.799 1.00 71.54 C ATOM 577 C LYS A 37 13.196 -0.801 3.152 1.00 62.31 C ATOM 578 O LYS A 37 12.452 -1.687 2.709 1.00 3.32 O ATOM 579 CB LYS A 37 14.056 1.199 1.819 1.00 53.41 C ATOM 580 CG LYS A 37 14.003 0.608 0.394 1.00 3.13 C ATOM 581 CD LYS A 37 15.021 1.276 -0.567 1.00 73.33 C ATOM 582 CE LYS A 37 14.892 2.808 -0.637 1.00 10.45 C ATOM 583 NZ LYS A 37 15.921 3.423 -1.523 1.00 53.02 N ATOM 0 H LYS A 37 13.587 2.344 3.902 1.00 62.40 H new ATOM 0 HA LYS A 37 11.979 0.719 2.328 1.00 71.54 H new ATOM 0 HB2 LYS A 37 13.970 2.283 1.748 1.00 53.41 H new ATOM 0 HB3 LYS A 37 15.035 0.984 2.247 1.00 53.41 H new ATOM 0 HG2 LYS A 37 14.202 -0.463 0.441 1.00 3.13 H new ATOM 0 HG3 LYS A 37 12.997 0.728 -0.008 1.00 3.13 H new ATOM 0 HD2 LYS A 37 16.031 1.019 -0.248 1.00 73.33 H new ATOM 0 HD3 LYS A 37 14.888 0.863 -1.567 1.00 73.33 H new ATOM 0 HE2 LYS A 37 13.899 3.070 -1.001 1.00 10.45 H new ATOM 0 HE3 LYS A 37 14.984 3.224 0.366 1.00 10.45 H new ATOM 0 HZ1 LYS A 37 15.794 4.455 -1.538 1.00 53.02 H new ATOM 0 HZ2 LYS A 37 16.870 3.196 -1.163 1.00 53.02 H new ATOM 0 HZ3 LYS A 37 15.818 3.047 -2.487 1.00 53.02 H new ATOM 597 N GLU A 38 14.216 -1.043 3.983 1.00 13.32 N ATOM 598 CA GLU A 38 14.596 -2.400 4.416 1.00 73.45 C ATOM 599 C GLU A 38 13.513 -3.030 5.323 1.00 13.44 C ATOM 600 O GLU A 38 13.275 -4.242 5.256 1.00 62.51 O ATOM 601 CB GLU A 38 15.976 -2.369 5.131 1.00 20.35 C ATOM 602 CG GLU A 38 16.057 -1.413 6.335 1.00 41.11 C ATOM 603 CD GLU A 38 17.406 -1.457 7.064 1.00 44.41 C ATOM 604 OE1 GLU A 38 18.343 -0.742 6.648 1.00 20.41 O ATOM 605 OE2 GLU A 38 17.536 -2.213 8.050 1.00 3.41 O ATOM 0 H GLU A 38 14.803 -0.307 4.376 1.00 13.32 H new ATOM 0 HA GLU A 38 14.679 -3.028 3.529 1.00 73.45 H new ATOM 0 HB2 GLU A 38 16.218 -3.377 5.468 1.00 20.35 H new ATOM 0 HB3 GLU A 38 16.739 -2.084 4.406 1.00 20.35 H new ATOM 0 HG2 GLU A 38 15.871 -0.395 5.993 1.00 41.11 H new ATOM 0 HG3 GLU A 38 15.264 -1.662 7.040 1.00 41.11 H new ATOM 612 N LYS A 39 12.840 -2.185 6.139 1.00 34.45 N ATOM 613 CA LYS A 39 11.814 -2.655 7.087 1.00 2.14 C ATOM 614 C LYS A 39 10.517 -3.045 6.368 1.00 0.24 C ATOM 615 O LYS A 39 9.910 -4.047 6.724 1.00 2.11 O ATOM 616 CB LYS A 39 11.520 -1.604 8.182 1.00 1.20 C ATOM 617 CG LYS A 39 10.517 -2.088 9.255 1.00 30.30 C ATOM 618 CD LYS A 39 10.350 -1.114 10.441 1.00 71.24 C ATOM 619 CE LYS A 39 9.269 -1.589 11.428 1.00 5.25 C ATOM 620 NZ LYS A 39 9.182 -0.709 12.623 1.00 11.14 N ATOM 0 H LYS A 39 12.992 -1.177 6.156 1.00 34.45 H new ATOM 0 HA LYS A 39 12.220 -3.544 7.569 1.00 2.14 H new ATOM 0 HB2 LYS A 39 12.455 -1.329 8.669 1.00 1.20 H new ATOM 0 HB3 LYS A 39 11.128 -0.702 7.712 1.00 1.20 H new ATOM 0 HG2 LYS A 39 9.545 -2.244 8.786 1.00 30.30 H new ATOM 0 HG3 LYS A 39 10.846 -3.055 9.635 1.00 30.30 H new ATOM 0 HD2 LYS A 39 11.301 -1.014 10.965 1.00 71.24 H new ATOM 0 HD3 LYS A 39 10.088 -0.125 10.064 1.00 71.24 H new ATOM 0 HE2 LYS A 39 8.303 -1.613 10.924 1.00 5.25 H new ATOM 0 HE3 LYS A 39 9.489 -2.609 11.744 1.00 5.25 H new ATOM 0 HZ1 LYS A 39 8.442 -1.064 13.262 1.00 11.14 H new ATOM 0 HZ2 LYS A 39 10.096 -0.706 13.119 1.00 11.14 H new ATOM 0 HZ3 LYS A 39 8.947 0.259 12.325 1.00 11.14 H new ATOM 634 N VAL A 40 10.105 -2.254 5.351 1.00 74.13 N ATOM 635 CA VAL A 40 8.858 -2.511 4.583 1.00 21.52 C ATOM 636 C VAL A 40 8.892 -3.932 3.971 1.00 4.33 C ATOM 637 O VAL A 40 7.902 -4.678 4.017 1.00 61.11 O ATOM 638 CB VAL A 40 8.631 -1.451 3.435 1.00 64.42 C ATOM 639 CG1 VAL A 40 7.292 -1.695 2.701 1.00 25.42 C ATOM 640 CG2 VAL A 40 8.696 -0.003 3.970 1.00 14.54 C ATOM 0 H VAL A 40 10.618 -1.429 5.040 1.00 74.13 H new ATOM 0 HA VAL A 40 8.028 -2.425 5.285 1.00 21.52 H new ATOM 0 HB VAL A 40 9.443 -1.580 2.720 1.00 64.42 H new ATOM 0 HG11 VAL A 40 7.166 -0.949 1.917 1.00 25.42 H new ATOM 0 HG12 VAL A 40 7.297 -2.691 2.257 1.00 25.42 H new ATOM 0 HG13 VAL A 40 6.469 -1.618 3.411 1.00 25.42 H new ATOM 0 HG21 VAL A 40 8.535 0.696 3.149 1.00 14.54 H new ATOM 0 HG22 VAL A 40 7.924 0.141 4.726 1.00 14.54 H new ATOM 0 HG23 VAL A 40 9.675 0.178 4.413 1.00 14.54 H new ATOM 650 N LYS A 41 10.078 -4.294 3.448 1.00 55.12 N ATOM 651 CA LYS A 41 10.358 -5.625 2.875 1.00 33.12 C ATOM 652 C LYS A 41 10.307 -6.719 3.955 1.00 21.51 C ATOM 653 O LYS A 41 9.802 -7.821 3.714 1.00 43.25 O ATOM 654 CB LYS A 41 11.751 -5.618 2.210 1.00 12.52 C ATOM 655 CG LYS A 41 11.919 -4.572 1.097 1.00 1.54 C ATOM 656 CD LYS A 41 13.324 -4.619 0.470 1.00 2.44 C ATOM 657 CE LYS A 41 13.516 -3.563 -0.616 1.00 21.00 C ATOM 658 NZ LYS A 41 14.877 -3.625 -1.207 1.00 14.41 N ATOM 0 H LYS A 41 10.879 -3.663 3.411 1.00 55.12 H new ATOM 0 HA LYS A 41 9.592 -5.845 2.131 1.00 33.12 H new ATOM 0 HB2 LYS A 41 12.505 -5.439 2.977 1.00 12.52 H new ATOM 0 HB3 LYS A 41 11.947 -6.607 1.795 1.00 12.52 H new ATOM 0 HG2 LYS A 41 11.171 -4.742 0.323 1.00 1.54 H new ATOM 0 HG3 LYS A 41 11.736 -3.577 1.504 1.00 1.54 H new ATOM 0 HD2 LYS A 41 14.071 -4.473 1.250 1.00 2.44 H new ATOM 0 HD3 LYS A 41 13.496 -5.608 0.045 1.00 2.44 H new ATOM 0 HE2 LYS A 41 12.772 -3.707 -1.399 1.00 21.00 H new ATOM 0 HE3 LYS A 41 13.347 -2.572 -0.194 1.00 21.00 H new ATOM 0 HZ1 LYS A 41 15.018 -2.812 -1.841 1.00 14.41 H new ATOM 0 HZ2 LYS A 41 15.587 -3.599 -0.447 1.00 14.41 H new ATOM 0 HZ3 LYS A 41 14.981 -4.507 -1.747 1.00 14.41 H new ATOM 672 N GLU A 42 10.842 -6.385 5.141 1.00 12.11 N ATOM 673 CA GLU A 42 10.852 -7.290 6.313 1.00 2.02 C ATOM 674 C GLU A 42 9.405 -7.653 6.716 1.00 30.22 C ATOM 675 O GLU A 42 9.114 -8.804 7.063 1.00 45.51 O ATOM 676 CB GLU A 42 11.632 -6.620 7.512 1.00 13.22 C ATOM 677 CG GLU A 42 12.843 -7.423 8.033 1.00 14.42 C ATOM 678 CD GLU A 42 12.461 -8.823 8.537 1.00 3.24 C ATOM 679 OE1 GLU A 42 11.876 -8.928 9.637 1.00 14.53 O ATOM 680 OE2 GLU A 42 12.750 -9.825 7.844 1.00 65.53 O ATOM 0 H GLU A 42 11.281 -5.482 5.319 1.00 12.11 H new ATOM 0 HA GLU A 42 11.370 -8.212 6.050 1.00 2.02 H new ATOM 0 HB2 GLU A 42 11.977 -5.635 7.196 1.00 13.22 H new ATOM 0 HB3 GLU A 42 10.936 -6.465 8.337 1.00 13.22 H new ATOM 0 HG2 GLU A 42 13.580 -7.518 7.235 1.00 14.42 H new ATOM 0 HG3 GLU A 42 13.319 -6.869 8.842 1.00 14.42 H new ATOM 687 N GLU A 43 8.504 -6.660 6.623 1.00 25.43 N ATOM 688 CA GLU A 43 7.087 -6.818 6.982 1.00 11.14 C ATOM 689 C GLU A 43 6.357 -7.726 5.971 1.00 35.34 C ATOM 690 O GLU A 43 5.431 -8.454 6.349 1.00 70.31 O ATOM 691 CB GLU A 43 6.371 -5.439 7.087 1.00 33.01 C ATOM 692 CG GLU A 43 7.075 -4.389 7.973 1.00 52.13 C ATOM 693 CD GLU A 43 7.540 -4.933 9.341 1.00 2.41 C ATOM 694 OE1 GLU A 43 6.695 -5.126 10.244 1.00 53.43 O ATOM 695 OE2 GLU A 43 8.755 -5.191 9.518 1.00 71.30 O ATOM 0 H GLU A 43 8.740 -5.723 6.296 1.00 25.43 H new ATOM 0 HA GLU A 43 7.051 -7.294 7.962 1.00 11.14 H new ATOM 0 HB2 GLU A 43 6.263 -5.028 6.083 1.00 33.01 H new ATOM 0 HB3 GLU A 43 5.365 -5.600 7.475 1.00 33.01 H new ATOM 0 HG2 GLU A 43 7.939 -3.996 7.437 1.00 52.13 H new ATOM 0 HG3 GLU A 43 6.395 -3.553 8.138 1.00 52.13 H new ATOM 702 N ILE A 44 6.775 -7.646 4.686 1.00 61.21 N ATOM 703 CA ILE A 44 6.220 -8.479 3.590 1.00 2.34 C ATOM 704 C ILE A 44 6.422 -9.984 3.888 1.00 74.43 C ATOM 705 O ILE A 44 5.500 -10.797 3.676 1.00 63.14 O ATOM 706 CB ILE A 44 6.859 -8.094 2.189 1.00 24.03 C ATOM 707 CG1 ILE A 44 6.451 -6.643 1.771 1.00 63.45 C ATOM 708 CG2 ILE A 44 6.494 -9.105 1.072 1.00 44.41 C ATOM 709 CD1 ILE A 44 7.020 -6.181 0.438 1.00 33.24 C ATOM 0 H ILE A 44 7.505 -7.004 4.379 1.00 61.21 H new ATOM 0 HA ILE A 44 5.150 -8.280 3.533 1.00 2.34 H new ATOM 0 HB ILE A 44 7.941 -8.134 2.316 1.00 24.03 H new ATOM 0 HG12 ILE A 44 5.363 -6.585 1.726 1.00 63.45 H new ATOM 0 HG13 ILE A 44 6.775 -5.951 2.548 1.00 63.45 H new ATOM 0 HG21 ILE A 44 6.956 -8.795 0.135 1.00 44.41 H new ATOM 0 HG22 ILE A 44 6.857 -10.096 1.345 1.00 44.41 H new ATOM 0 HG23 ILE A 44 5.411 -9.136 0.949 1.00 44.41 H new ATOM 0 HD11 ILE A 44 6.684 -5.165 0.232 1.00 33.24 H new ATOM 0 HD12 ILE A 44 8.109 -6.202 0.481 1.00 33.24 H new ATOM 0 HD13 ILE A 44 6.675 -6.845 -0.355 1.00 33.24 H new ATOM 721 N GLU A 45 7.621 -10.341 4.398 1.00 54.04 N ATOM 722 CA GLU A 45 7.950 -11.737 4.748 1.00 44.34 C ATOM 723 C GLU A 45 7.143 -12.198 5.994 1.00 31.41 C ATOM 724 O GLU A 45 6.782 -13.379 6.116 1.00 42.42 O ATOM 725 CB GLU A 45 9.473 -11.930 4.981 1.00 3.20 C ATOM 726 CG GLU A 45 9.884 -13.415 5.105 1.00 2.53 C ATOM 727 CD GLU A 45 11.337 -13.621 5.544 1.00 30.55 C ATOM 728 OE1 GLU A 45 12.234 -13.682 4.677 1.00 5.41 O ATOM 729 OE2 GLU A 45 11.585 -13.741 6.763 1.00 54.24 O ATOM 0 H GLU A 45 8.377 -9.679 4.576 1.00 54.04 H new ATOM 0 HA GLU A 45 7.666 -12.360 3.900 1.00 44.34 H new ATOM 0 HB2 GLU A 45 10.021 -11.475 4.156 1.00 3.20 H new ATOM 0 HB3 GLU A 45 9.766 -11.401 5.888 1.00 3.20 H new ATOM 0 HG2 GLU A 45 9.225 -13.906 5.821 1.00 2.53 H new ATOM 0 HG3 GLU A 45 9.732 -13.906 4.144 1.00 2.53 H new ATOM 736 N LYS A 46 6.845 -11.249 6.907 1.00 71.33 N ATOM 737 CA LYS A 46 5.992 -11.514 8.089 1.00 24.25 C ATOM 738 C LYS A 46 4.544 -11.838 7.659 1.00 43.43 C ATOM 739 O LYS A 46 3.897 -12.689 8.262 1.00 11.31 O ATOM 740 CB LYS A 46 5.995 -10.297 9.056 1.00 21.12 C ATOM 741 CG LYS A 46 7.371 -9.956 9.668 1.00 43.24 C ATOM 742 CD LYS A 46 7.327 -8.672 10.525 1.00 33.54 C ATOM 743 CE LYS A 46 8.692 -8.291 11.115 1.00 61.53 C ATOM 744 NZ LYS A 46 8.611 -7.007 11.865 1.00 31.23 N ATOM 0 H LYS A 46 7.183 -10.288 6.849 1.00 71.33 H new ATOM 0 HA LYS A 46 6.405 -12.378 8.610 1.00 24.25 H new ATOM 0 HB2 LYS A 46 5.626 -9.423 8.518 1.00 21.12 H new ATOM 0 HB3 LYS A 46 5.292 -10.493 9.866 1.00 21.12 H new ATOM 0 HG2 LYS A 46 7.710 -10.790 10.283 1.00 43.24 H new ATOM 0 HG3 LYS A 46 8.102 -9.832 8.869 1.00 43.24 H new ATOM 0 HD2 LYS A 46 6.960 -7.848 9.914 1.00 33.54 H new ATOM 0 HD3 LYS A 46 6.613 -8.809 11.337 1.00 33.54 H new ATOM 0 HE2 LYS A 46 9.039 -9.083 11.779 1.00 61.53 H new ATOM 0 HE3 LYS A 46 9.426 -8.203 10.314 1.00 61.53 H new ATOM 0 HZ1 LYS A 46 9.322 -7.003 12.624 1.00 31.23 H new ATOM 0 HZ2 LYS A 46 8.792 -6.214 11.217 1.00 31.23 H new ATOM 0 HZ3 LYS A 46 7.662 -6.906 12.279 1.00 31.23 H new ATOM 758 N ALA A 47 4.074 -11.155 6.600 1.00 53.41 N ATOM 759 CA ALA A 47 2.693 -11.288 6.086 1.00 54.12 C ATOM 760 C ALA A 47 2.420 -12.696 5.524 1.00 72.10 C ATOM 761 O ALA A 47 1.448 -13.357 5.917 1.00 55.43 O ATOM 762 CB ALA A 47 2.437 -10.232 5.012 1.00 53.40 C ATOM 0 H ALA A 47 4.641 -10.492 6.072 1.00 53.41 H new ATOM 0 HA ALA A 47 2.010 -11.134 6.922 1.00 54.12 H new ATOM 0 HB1 ALA A 47 1.419 -10.334 4.637 1.00 53.40 H new ATOM 0 HB2 ALA A 47 2.568 -9.238 5.440 1.00 53.40 H new ATOM 0 HB3 ALA A 47 3.141 -10.369 4.192 1.00 53.40 H new ATOM 768 N ARG A 48 3.305 -13.144 4.604 1.00 5.33 N ATOM 769 CA ARG A 48 3.225 -14.492 3.988 1.00 43.23 C ATOM 770 C ARG A 48 3.398 -15.599 5.051 1.00 52.40 C ATOM 771 O ARG A 48 2.860 -16.698 4.897 1.00 24.00 O ATOM 772 CB ARG A 48 4.265 -14.668 2.831 1.00 15.53 C ATOM 773 CG ARG A 48 5.701 -14.225 3.187 1.00 3.03 C ATOM 774 CD ARG A 48 6.781 -14.705 2.191 1.00 54.23 C ATOM 775 NE ARG A 48 7.068 -16.151 2.334 1.00 33.42 N ATOM 776 CZ ARG A 48 8.264 -16.744 2.126 1.00 53.14 C ATOM 777 NH1 ARG A 48 9.333 -16.038 1.755 1.00 74.41 N ATOM 778 NH2 ARG A 48 8.383 -18.051 2.310 1.00 2.02 N ATOM 0 H ARG A 48 4.091 -12.587 4.268 1.00 5.33 H new ATOM 0 HA ARG A 48 2.231 -14.587 3.552 1.00 43.23 H new ATOM 0 HB2 ARG A 48 4.285 -15.717 2.534 1.00 15.53 H new ATOM 0 HB3 ARG A 48 3.927 -14.098 1.966 1.00 15.53 H new ATOM 0 HG2 ARG A 48 5.730 -13.137 3.240 1.00 3.03 H new ATOM 0 HG3 ARG A 48 5.948 -14.599 4.181 1.00 3.03 H new ATOM 0 HD2 ARG A 48 6.451 -14.500 1.173 1.00 54.23 H new ATOM 0 HD3 ARG A 48 7.698 -14.137 2.349 1.00 54.23 H new ATOM 0 HE ARG A 48 6.294 -16.753 2.615 1.00 33.42 H new ATOM 0 HH11 ARG A 48 9.257 -15.029 1.623 1.00 74.41 H new ATOM 0 HH12 ARG A 48 10.226 -16.507 1.604 1.00 74.41 H new ATOM 0 HH21 ARG A 48 7.576 -18.600 2.606 1.00 2.02 H new ATOM 0 HH22 ARG A 48 9.282 -18.508 2.156 1.00 2.02 H new ATOM 792 N LYS A 49 4.151 -15.285 6.125 1.00 54.13 N ATOM 793 CA LYS A 49 4.330 -16.198 7.277 1.00 12.33 C ATOM 794 C LYS A 49 3.003 -16.380 8.035 1.00 41.12 C ATOM 795 O LYS A 49 2.620 -17.508 8.363 1.00 33.23 O ATOM 796 CB LYS A 49 5.446 -15.663 8.217 1.00 40.22 C ATOM 797 CG LYS A 49 5.691 -16.499 9.502 1.00 60.10 C ATOM 798 CD LYS A 49 7.008 -16.126 10.240 1.00 63.30 C ATOM 799 CE LYS A 49 8.263 -16.828 9.665 1.00 72.21 C ATOM 800 NZ LYS A 49 8.474 -16.580 8.212 1.00 2.41 N ATOM 0 H LYS A 49 4.649 -14.400 6.220 1.00 54.13 H new ATOM 0 HA LYS A 49 4.638 -17.176 6.906 1.00 12.33 H new ATOM 0 HB2 LYS A 49 6.378 -15.612 7.654 1.00 40.22 H new ATOM 0 HB3 LYS A 49 5.194 -14.644 8.510 1.00 40.22 H new ATOM 0 HG2 LYS A 49 4.851 -16.361 10.182 1.00 60.10 H new ATOM 0 HG3 LYS A 49 5.718 -17.556 9.239 1.00 60.10 H new ATOM 0 HD2 LYS A 49 7.150 -15.047 10.188 1.00 63.30 H new ATOM 0 HD3 LYS A 49 6.909 -16.384 11.294 1.00 63.30 H new ATOM 0 HE2 LYS A 49 9.142 -16.489 10.214 1.00 72.21 H new ATOM 0 HE3 LYS A 49 8.177 -17.902 9.833 1.00 72.21 H new ATOM 0 HZ1 LYS A 49 9.452 -16.824 7.957 1.00 2.41 H new ATOM 0 HZ2 LYS A 49 7.816 -17.167 7.661 1.00 2.41 H new ATOM 0 HZ3 LYS A 49 8.301 -15.576 8.003 1.00 2.41 H new ATOM 814 N GLN A 50 2.296 -15.259 8.278 1.00 51.33 N ATOM 815 CA GLN A 50 0.977 -15.256 8.950 1.00 21.45 C ATOM 816 C GLN A 50 -0.117 -15.851 8.042 1.00 31.24 C ATOM 817 O GLN A 50 -1.176 -16.260 8.534 1.00 54.50 O ATOM 818 CB GLN A 50 0.579 -13.811 9.372 1.00 21.20 C ATOM 819 CG GLN A 50 1.521 -13.145 10.390 1.00 62.04 C ATOM 820 CD GLN A 50 1.647 -13.926 11.700 1.00 53.35 C ATOM 821 OE1 GLN A 50 2.534 -14.765 11.853 1.00 24.24 O ATOM 822 NE2 GLN A 50 0.746 -13.678 12.636 1.00 14.04 N ATOM 0 H GLN A 50 2.621 -14.329 8.015 1.00 51.33 H new ATOM 0 HA GLN A 50 1.063 -15.879 9.840 1.00 21.45 H new ATOM 0 HB2 GLN A 50 0.535 -13.188 8.479 1.00 21.20 H new ATOM 0 HB3 GLN A 50 -0.426 -13.836 9.793 1.00 21.20 H new ATOM 0 HG2 GLN A 50 2.509 -13.037 9.943 1.00 62.04 H new ATOM 0 HG3 GLN A 50 1.158 -12.141 10.607 1.00 62.04 H new ATOM 0 HE21 GLN A 50 0.024 -12.975 12.476 1.00 14.04 H new ATOM 0 HE22 GLN A 50 0.773 -14.189 13.518 1.00 14.04 H new ATOM 831 N GLY A 51 0.152 -15.875 6.717 1.00 51.42 N ATOM 832 CA GLY A 51 -0.812 -16.357 5.723 1.00 33.11 C ATOM 833 C GLY A 51 -1.914 -15.347 5.453 1.00 70.43 C ATOM 834 O GLY A 51 -3.009 -15.704 5.007 1.00 54.42 O ATOM 0 H GLY A 51 1.037 -15.562 6.317 1.00 51.42 H new ATOM 0 HA2 GLY A 51 -0.290 -16.580 4.792 1.00 33.11 H new ATOM 0 HA3 GLY A 51 -1.255 -17.290 6.072 1.00 33.11 H new ATOM 838 N ARG A 52 -1.597 -14.072 5.723 1.00 31.13 N ATOM 839 CA ARG A 52 -2.548 -12.951 5.666 1.00 63.24 C ATOM 840 C ARG A 52 -1.999 -11.864 4.720 1.00 74.11 C ATOM 841 O ARG A 52 -0.788 -11.834 4.460 1.00 52.21 O ATOM 842 CB ARG A 52 -2.745 -12.366 7.099 1.00 23.02 C ATOM 843 CG ARG A 52 -3.217 -13.389 8.157 1.00 64.22 C ATOM 844 CD ARG A 52 -3.270 -12.783 9.570 1.00 54.32 C ATOM 845 NE ARG A 52 -3.591 -13.787 10.605 1.00 24.12 N ATOM 846 CZ ARG A 52 -3.715 -13.520 11.918 1.00 74.02 C ATOM 847 NH1 ARG A 52 -3.571 -12.281 12.378 1.00 21.10 N ATOM 848 NH2 ARG A 52 -3.982 -14.498 12.770 1.00 11.20 N ATOM 0 H ARG A 52 -0.656 -13.786 5.992 1.00 31.13 H new ATOM 0 HA ARG A 52 -3.509 -13.300 5.289 1.00 63.24 H new ATOM 0 HB2 ARG A 52 -1.803 -11.930 7.431 1.00 23.02 H new ATOM 0 HB3 ARG A 52 -3.472 -11.555 7.049 1.00 23.02 H new ATOM 0 HG2 ARG A 52 -4.205 -13.760 7.885 1.00 64.22 H new ATOM 0 HG3 ARG A 52 -2.544 -14.246 8.156 1.00 64.22 H new ATOM 0 HD2 ARG A 52 -2.309 -12.323 9.801 1.00 54.32 H new ATOM 0 HD3 ARG A 52 -4.017 -11.990 9.594 1.00 54.32 H new ATOM 0 HE ARG A 52 -3.728 -14.751 10.303 1.00 24.12 H new ATOM 0 HH11 ARG A 52 -3.364 -11.518 11.733 1.00 21.10 H new ATOM 0 HH12 ARG A 52 -3.668 -12.093 13.376 1.00 21.10 H new ATOM 0 HH21 ARG A 52 -4.094 -15.453 12.431 1.00 11.20 H new ATOM 0 HH22 ARG A 52 -4.076 -14.296 13.765 1.00 11.20 H new ATOM 862 N PRO A 53 -2.874 -10.955 4.177 1.00 23.53 N ATOM 863 CA PRO A 53 -2.407 -9.746 3.448 1.00 33.22 C ATOM 864 C PRO A 53 -1.612 -8.779 4.361 1.00 23.42 C ATOM 865 O PRO A 53 -1.485 -8.992 5.585 1.00 21.11 O ATOM 866 CB PRO A 53 -3.728 -9.094 2.938 1.00 4.11 C ATOM 867 CG PRO A 53 -4.750 -10.196 2.983 1.00 52.11 C ATOM 868 CD PRO A 53 -4.361 -11.050 4.167 1.00 64.25 C ATOM 0 HA PRO A 53 -1.714 -9.991 2.643 1.00 33.22 H new ATOM 0 HB2 PRO A 53 -4.024 -8.256 3.569 1.00 4.11 H new ATOM 0 HB3 PRO A 53 -3.611 -8.705 1.926 1.00 4.11 H new ATOM 0 HG2 PRO A 53 -5.757 -9.795 3.101 1.00 52.11 H new ATOM 0 HG3 PRO A 53 -4.744 -10.776 2.060 1.00 52.11 H new ATOM 0 HD2 PRO A 53 -4.795 -10.676 5.094 1.00 64.25 H new ATOM 0 HD3 PRO A 53 -4.699 -12.080 4.050 1.00 64.25 H new ATOM 876 N ILE A 54 -1.107 -7.700 3.761 1.00 74.33 N ATOM 877 CA ILE A 54 -0.334 -6.672 4.475 1.00 61.42 C ATOM 878 C ILE A 54 -0.684 -5.288 3.927 1.00 72.50 C ATOM 879 O ILE A 54 -0.828 -5.112 2.714 1.00 3.51 O ATOM 880 CB ILE A 54 1.210 -6.944 4.357 1.00 13.14 C ATOM 881 CG1 ILE A 54 2.045 -5.810 5.024 1.00 60.44 C ATOM 882 CG2 ILE A 54 1.650 -7.184 2.891 1.00 1.35 C ATOM 883 CD1 ILE A 54 3.539 -6.008 4.951 1.00 35.52 C ATOM 0 H ILE A 54 -1.220 -7.510 2.765 1.00 74.33 H new ATOM 0 HA ILE A 54 -0.596 -6.710 5.532 1.00 61.42 H new ATOM 0 HB ILE A 54 1.410 -7.865 4.904 1.00 13.14 H new ATOM 0 HG12 ILE A 54 1.793 -4.862 4.548 1.00 60.44 H new ATOM 0 HG13 ILE A 54 1.753 -5.728 6.071 1.00 60.44 H new ATOM 0 HG21 ILE A 54 2.724 -7.368 2.859 1.00 1.35 H new ATOM 0 HG22 ILE A 54 1.122 -8.049 2.490 1.00 1.35 H new ATOM 0 HG23 ILE A 54 1.414 -6.305 2.292 1.00 1.35 H new ATOM 0 HD11 ILE A 54 4.041 -5.173 5.439 1.00 35.52 H new ATOM 0 HD12 ILE A 54 3.808 -6.937 5.454 1.00 35.52 H new ATOM 0 HD13 ILE A 54 3.849 -6.057 3.907 1.00 35.52 H new ATOM 895 N VAL A 55 -0.850 -4.316 4.843 1.00 71.41 N ATOM 896 CA VAL A 55 -1.167 -2.926 4.491 1.00 3.11 C ATOM 897 C VAL A 55 -0.036 -2.009 5.000 1.00 52.14 C ATOM 898 O VAL A 55 0.112 -1.815 6.206 1.00 2.42 O ATOM 899 CB VAL A 55 -2.557 -2.469 5.094 1.00 34.25 C ATOM 900 CG1 VAL A 55 -3.062 -1.189 4.409 1.00 21.03 C ATOM 901 CG2 VAL A 55 -3.617 -3.586 5.003 1.00 21.35 C ATOM 0 H VAL A 55 -0.767 -4.476 5.847 1.00 71.41 H new ATOM 0 HA VAL A 55 -1.248 -2.854 3.406 1.00 3.11 H new ATOM 0 HB VAL A 55 -2.393 -2.254 6.150 1.00 34.25 H new ATOM 0 HG11 VAL A 55 -4.019 -0.897 4.843 1.00 21.03 H new ATOM 0 HG12 VAL A 55 -2.338 -0.388 4.556 1.00 21.03 H new ATOM 0 HG13 VAL A 55 -3.188 -1.373 3.342 1.00 21.03 H new ATOM 0 HG21 VAL A 55 -4.556 -3.232 5.428 1.00 21.35 H new ATOM 0 HG22 VAL A 55 -3.770 -3.858 3.959 1.00 21.35 H new ATOM 0 HG23 VAL A 55 -3.274 -4.459 5.558 1.00 21.35 H new ATOM 911 N ILE A 56 0.770 -1.473 4.065 1.00 5.43 N ATOM 912 CA ILE A 56 1.894 -0.572 4.392 1.00 45.45 C ATOM 913 C ILE A 56 1.471 0.883 4.158 1.00 21.44 C ATOM 914 O ILE A 56 1.045 1.232 3.067 1.00 14.21 O ATOM 915 CB ILE A 56 3.175 -0.911 3.532 1.00 74.15 C ATOM 916 CG1 ILE A 56 3.724 -2.330 3.887 1.00 61.42 C ATOM 917 CG2 ILE A 56 4.281 0.163 3.704 1.00 22.34 C ATOM 918 CD1 ILE A 56 4.302 -2.460 5.296 1.00 72.35 C ATOM 0 H ILE A 56 0.663 -1.650 3.066 1.00 5.43 H new ATOM 0 HA ILE A 56 2.152 -0.714 5.441 1.00 45.45 H new ATOM 0 HB ILE A 56 2.874 -0.909 2.484 1.00 74.15 H new ATOM 0 HG12 ILE A 56 2.918 -3.055 3.772 1.00 61.42 H new ATOM 0 HG13 ILE A 56 4.497 -2.596 3.166 1.00 61.42 H new ATOM 0 HG21 ILE A 56 5.146 -0.105 3.097 1.00 22.34 H new ATOM 0 HG22 ILE A 56 3.900 1.133 3.384 1.00 22.34 H new ATOM 0 HG23 ILE A 56 4.576 0.217 4.752 1.00 22.34 H new ATOM 0 HD11 ILE A 56 4.658 -3.479 5.451 1.00 72.35 H new ATOM 0 HD12 ILE A 56 5.132 -1.764 5.414 1.00 72.35 H new ATOM 0 HD13 ILE A 56 3.529 -2.230 6.029 1.00 72.35 H new ATOM 930 N PHE A 57 1.591 1.721 5.196 1.00 13.14 N ATOM 931 CA PHE A 57 1.248 3.149 5.110 1.00 53.00 C ATOM 932 C PHE A 57 2.519 3.986 4.852 1.00 52.33 C ATOM 933 O PHE A 57 3.447 4.006 5.667 1.00 42.23 O ATOM 934 CB PHE A 57 0.506 3.608 6.392 1.00 45.15 C ATOM 935 CG PHE A 57 -0.931 3.081 6.478 1.00 2.43 C ATOM 936 CD1 PHE A 57 -1.189 1.730 6.704 1.00 61.53 C ATOM 937 CD2 PHE A 57 -2.019 3.939 6.312 1.00 21.34 C ATOM 938 CE1 PHE A 57 -2.485 1.257 6.754 1.00 4.20 C ATOM 939 CE2 PHE A 57 -3.312 3.459 6.353 1.00 75.31 C ATOM 940 CZ PHE A 57 -3.543 2.123 6.574 1.00 12.02 C ATOM 0 H PHE A 57 1.927 1.432 6.115 1.00 13.14 H new ATOM 0 HA PHE A 57 0.571 3.304 4.270 1.00 53.00 H new ATOM 0 HB2 PHE A 57 1.063 3.272 7.267 1.00 45.15 H new ATOM 0 HB3 PHE A 57 0.489 4.697 6.424 1.00 45.15 H new ATOM 0 HD1 PHE A 57 -0.365 1.045 6.842 1.00 61.53 H new ATOM 0 HD2 PHE A 57 -1.847 4.993 6.149 1.00 21.34 H new ATOM 0 HE1 PHE A 57 -2.670 0.208 6.934 1.00 4.20 H new ATOM 0 HE2 PHE A 57 -4.143 4.134 6.211 1.00 75.31 H new ATOM 0 HZ PHE A 57 -4.556 1.750 6.607 1.00 12.02 H new ATOM 950 N ILE A 58 2.537 4.635 3.679 1.00 33.41 N ATOM 951 CA ILE A 58 3.641 5.499 3.210 1.00 72.32 C ATOM 952 C ILE A 58 3.097 6.930 2.996 1.00 11.11 C ATOM 953 O ILE A 58 1.910 7.113 2.752 1.00 2.53 O ATOM 954 CB ILE A 58 4.235 4.928 1.854 1.00 44.05 C ATOM 955 CG1 ILE A 58 4.790 3.481 2.043 1.00 64.10 C ATOM 956 CG2 ILE A 58 5.327 5.845 1.261 1.00 2.30 C ATOM 957 CD1 ILE A 58 6.035 3.377 2.901 1.00 43.03 C ATOM 0 H ILE A 58 1.768 4.575 3.011 1.00 33.41 H new ATOM 0 HA ILE A 58 4.438 5.519 3.953 1.00 72.32 H new ATOM 0 HB ILE A 58 3.409 4.896 1.144 1.00 44.05 H new ATOM 0 HG12 ILE A 58 4.009 2.864 2.487 1.00 64.10 H new ATOM 0 HG13 ILE A 58 5.008 3.061 1.061 1.00 64.10 H new ATOM 0 HG21 ILE A 58 5.702 5.411 0.334 1.00 2.30 H new ATOM 0 HG22 ILE A 58 4.904 6.829 1.057 1.00 2.30 H new ATOM 0 HG23 ILE A 58 6.146 5.943 1.973 1.00 2.30 H new ATOM 0 HD11 ILE A 58 6.342 2.333 2.972 1.00 43.03 H new ATOM 0 HD12 ILE A 58 6.837 3.961 2.450 1.00 43.03 H new ATOM 0 HD13 ILE A 58 5.822 3.761 3.899 1.00 43.03 H new ATOM 969 N ARG A 59 3.959 7.950 3.133 1.00 23.13 N ATOM 970 CA ARG A 59 3.594 9.337 2.793 1.00 1.11 C ATOM 971 C ARG A 59 4.049 9.648 1.351 1.00 75.23 C ATOM 972 O ARG A 59 5.035 9.075 0.883 1.00 74.14 O ATOM 973 CB ARG A 59 4.214 10.316 3.819 1.00 44.40 C ATOM 974 CG ARG A 59 3.642 11.747 3.774 1.00 0.31 C ATOM 975 CD ARG A 59 4.297 12.682 4.808 1.00 71.04 C ATOM 976 NE ARG A 59 3.658 14.010 4.815 1.00 71.32 N ATOM 977 CZ ARG A 59 3.765 14.921 5.794 1.00 14.11 C ATOM 978 NH1 ARG A 59 4.504 14.680 6.881 1.00 4.02 N ATOM 979 NH2 ARG A 59 3.083 16.055 5.700 1.00 22.51 N ATOM 0 H ARG A 59 4.913 7.842 3.477 1.00 23.13 H new ATOM 0 HA ARG A 59 2.512 9.460 2.840 1.00 1.11 H new ATOM 0 HB2 ARG A 59 4.066 9.912 4.821 1.00 44.40 H new ATOM 0 HB3 ARG A 59 5.290 10.364 3.650 1.00 44.40 H new ATOM 0 HG2 ARG A 59 3.785 12.160 2.775 1.00 0.31 H new ATOM 0 HG3 ARG A 59 2.567 11.710 3.953 1.00 0.31 H new ATOM 0 HD2 ARG A 59 4.225 12.237 5.800 1.00 71.04 H new ATOM 0 HD3 ARG A 59 5.358 12.789 4.583 1.00 71.04 H new ATOM 0 HE ARG A 59 3.086 14.257 4.007 1.00 71.32 H new ATOM 0 HH11 ARG A 59 4.998 13.792 6.976 1.00 4.02 H new ATOM 0 HH12 ARG A 59 4.575 15.384 7.616 1.00 4.02 H new ATOM 0 HH21 ARG A 59 2.486 16.226 4.890 1.00 22.51 H new ATOM 0 HH22 ARG A 59 3.155 16.756 6.437 1.00 22.51 H new ATOM 993 N GLY A 60 3.324 10.569 0.673 1.00 75.13 N ATOM 994 CA GLY A 60 3.500 10.855 -0.768 1.00 74.54 C ATOM 995 C GLY A 60 4.944 11.118 -1.224 1.00 24.42 C ATOM 996 O GLY A 60 5.347 10.662 -2.300 1.00 54.25 O ATOM 0 H GLY A 60 2.599 11.135 1.113 1.00 75.13 H new ATOM 0 HA2 GLY A 60 3.106 10.013 -1.337 1.00 74.54 H new ATOM 0 HA3 GLY A 60 2.894 11.724 -1.024 1.00 74.54 H new ATOM 1000 N ALA A 61 5.722 11.838 -0.389 1.00 74.52 N ATOM 1001 CA ALA A 61 7.136 12.178 -0.688 1.00 1.54 C ATOM 1002 C ALA A 61 8.022 10.921 -0.671 1.00 53.22 C ATOM 1003 O ALA A 61 8.928 10.755 -1.501 1.00 72.40 O ATOM 1004 CB ALA A 61 7.650 13.208 0.325 1.00 72.31 C ATOM 0 H ALA A 61 5.394 12.200 0.507 1.00 74.52 H new ATOM 0 HA ALA A 61 7.183 12.607 -1.689 1.00 1.54 H new ATOM 0 HB1 ALA A 61 8.688 13.453 0.100 1.00 72.31 H new ATOM 0 HB2 ALA A 61 7.043 14.111 0.265 1.00 72.31 H new ATOM 0 HB3 ALA A 61 7.585 12.793 1.331 1.00 72.31 H new ATOM 1010 N TYR A 62 7.729 10.042 0.296 1.00 73.24 N ATOM 1011 CA TYR A 62 8.450 8.780 0.518 1.00 75.52 C ATOM 1012 C TYR A 62 8.128 7.727 -0.560 1.00 21.30 C ATOM 1013 O TYR A 62 8.915 6.814 -0.743 1.00 50.21 O ATOM 1014 CB TYR A 62 8.156 8.212 1.925 1.00 51.41 C ATOM 1015 CG TYR A 62 8.556 9.143 3.082 1.00 14.14 C ATOM 1016 CD1 TYR A 62 9.865 9.612 3.217 1.00 32.21 C ATOM 1017 CD2 TYR A 62 7.625 9.542 4.040 1.00 32.01 C ATOM 1018 CE1 TYR A 62 10.216 10.447 4.264 1.00 24.12 C ATOM 1019 CE2 TYR A 62 7.978 10.376 5.085 1.00 32.14 C ATOM 1020 CZ TYR A 62 9.273 10.821 5.193 1.00 50.55 C ATOM 1021 OH TYR A 62 9.624 11.644 6.238 1.00 41.41 O ATOM 0 H TYR A 62 6.969 10.190 0.960 1.00 73.24 H new ATOM 0 HA TYR A 62 9.513 9.010 0.447 1.00 75.52 H new ATOM 0 HB2 TYR A 62 7.090 7.995 2.001 1.00 51.41 H new ATOM 0 HB3 TYR A 62 8.683 7.264 2.038 1.00 51.41 H new ATOM 0 HD1 TYR A 62 10.613 9.319 2.495 1.00 32.21 H new ATOM 0 HD2 TYR A 62 6.606 9.192 3.964 1.00 32.01 H new ATOM 0 HE1 TYR A 62 11.231 10.805 4.351 1.00 24.12 H new ATOM 0 HE2 TYR A 62 7.239 10.676 5.813 1.00 32.14 H new ATOM 0 HH TYR A 62 8.839 11.811 6.801 1.00 41.41 H new ATOM 1031 N GLU A 63 6.944 7.837 -1.208 1.00 2.25 N ATOM 1032 CA GLU A 63 6.384 6.788 -2.106 1.00 54.11 C ATOM 1033 C GLU A 63 7.361 6.306 -3.206 1.00 34.30 C ATOM 1034 O GLU A 63 7.239 5.178 -3.675 1.00 44.33 O ATOM 1035 CB GLU A 63 5.056 7.249 -2.765 1.00 43.21 C ATOM 1036 CG GLU A 63 4.286 6.089 -3.458 1.00 31.22 C ATOM 1037 CD GLU A 63 3.191 6.499 -4.450 1.00 52.23 C ATOM 1038 OE1 GLU A 63 3.248 7.612 -5.022 1.00 12.52 O ATOM 1039 OE2 GLU A 63 2.307 5.660 -4.720 1.00 74.24 O ATOM 0 H GLU A 63 6.345 8.658 -1.125 1.00 2.25 H new ATOM 0 HA GLU A 63 6.197 5.938 -1.450 1.00 54.11 H new ATOM 0 HB2 GLU A 63 4.417 7.699 -2.005 1.00 43.21 H new ATOM 0 HB3 GLU A 63 5.272 8.024 -3.500 1.00 43.21 H new ATOM 0 HG2 GLU A 63 5.008 5.465 -3.984 1.00 31.22 H new ATOM 0 HG3 GLU A 63 3.833 5.469 -2.685 1.00 31.22 H new ATOM 1046 N GLU A 64 8.313 7.154 -3.623 1.00 63.53 N ATOM 1047 CA GLU A 64 9.358 6.763 -4.608 1.00 3.31 C ATOM 1048 C GLU A 64 10.136 5.485 -4.167 1.00 63.42 C ATOM 1049 O GLU A 64 10.558 4.688 -5.011 1.00 63.44 O ATOM 1050 CB GLU A 64 10.311 7.952 -4.868 1.00 24.15 C ATOM 1051 CG GLU A 64 10.896 8.599 -3.600 1.00 14.13 C ATOM 1052 CD GLU A 64 11.746 9.832 -3.913 1.00 75.13 C ATOM 1053 OE1 GLU A 64 11.171 10.887 -4.264 1.00 70.14 O ATOM 1054 OE2 GLU A 64 12.991 9.746 -3.840 1.00 30.52 O ATOM 0 H GLU A 64 8.389 8.118 -3.299 1.00 63.53 H new ATOM 0 HA GLU A 64 8.860 6.507 -5.543 1.00 3.31 H new ATOM 0 HB2 GLU A 64 11.133 7.610 -5.497 1.00 24.15 H new ATOM 0 HB3 GLU A 64 9.773 8.714 -5.433 1.00 24.15 H new ATOM 0 HG2 GLU A 64 10.083 8.882 -2.932 1.00 14.13 H new ATOM 0 HG3 GLU A 64 11.505 7.867 -3.069 1.00 14.13 H new ATOM 1061 N VAL A 65 10.266 5.308 -2.841 1.00 60.21 N ATOM 1062 CA VAL A 65 10.837 4.104 -2.201 1.00 1.20 C ATOM 1063 C VAL A 65 10.022 2.829 -2.545 1.00 42.53 C ATOM 1064 O VAL A 65 10.603 1.756 -2.741 1.00 15.10 O ATOM 1065 CB VAL A 65 10.892 4.308 -0.637 1.00 74.40 C ATOM 1066 CG1 VAL A 65 11.271 3.026 0.129 1.00 22.03 C ATOM 1067 CG2 VAL A 65 11.832 5.487 -0.269 1.00 72.44 C ATOM 0 H VAL A 65 9.971 6.013 -2.166 1.00 60.21 H new ATOM 0 HA VAL A 65 11.846 3.963 -2.588 1.00 1.20 H new ATOM 0 HB VAL A 65 9.880 4.558 -0.319 1.00 74.40 H new ATOM 0 HG11 VAL A 65 11.291 3.234 1.199 1.00 22.03 H new ATOM 0 HG12 VAL A 65 10.535 2.249 -0.076 1.00 22.03 H new ATOM 0 HG13 VAL A 65 12.256 2.687 -0.193 1.00 22.03 H new ATOM 0 HG21 VAL A 65 11.855 5.610 0.814 1.00 72.44 H new ATOM 0 HG22 VAL A 65 12.838 5.277 -0.632 1.00 72.44 H new ATOM 0 HG23 VAL A 65 11.464 6.403 -0.730 1.00 72.44 H new ATOM 1077 N VAL A 66 8.680 2.977 -2.627 1.00 53.22 N ATOM 1078 CA VAL A 66 7.740 1.858 -2.883 1.00 42.21 C ATOM 1079 C VAL A 66 8.061 1.142 -4.210 1.00 33.31 C ATOM 1080 O VAL A 66 7.903 -0.064 -4.294 1.00 72.14 O ATOM 1081 CB VAL A 66 6.232 2.321 -2.850 1.00 54.00 C ATOM 1082 CG1 VAL A 66 5.254 1.147 -3.120 1.00 20.20 C ATOM 1083 CG2 VAL A 66 5.910 3.013 -1.505 1.00 51.04 C ATOM 0 H VAL A 66 8.216 3.878 -2.517 1.00 53.22 H new ATOM 0 HA VAL A 66 7.879 1.147 -2.069 1.00 42.21 H new ATOM 0 HB VAL A 66 6.092 3.041 -3.656 1.00 54.00 H new ATOM 0 HG11 VAL A 66 4.228 1.513 -3.087 1.00 20.20 H new ATOM 0 HG12 VAL A 66 5.457 0.723 -4.104 1.00 20.20 H new ATOM 0 HG13 VAL A 66 5.389 0.378 -2.359 1.00 20.20 H new ATOM 0 HG21 VAL A 66 4.866 3.327 -1.498 1.00 51.04 H new ATOM 0 HG22 VAL A 66 6.085 2.315 -0.686 1.00 51.04 H new ATOM 0 HG23 VAL A 66 6.552 3.885 -1.382 1.00 51.04 H new ATOM 1093 N ARG A 67 8.557 1.893 -5.215 1.00 32.34 N ATOM 1094 CA ARG A 67 9.007 1.325 -6.523 1.00 23.21 C ATOM 1095 C ARG A 67 10.057 0.205 -6.318 1.00 2.42 C ATOM 1096 O ARG A 67 10.028 -0.835 -6.992 1.00 22.32 O ATOM 1097 CB ARG A 67 9.615 2.451 -7.404 1.00 13.13 C ATOM 1098 CG ARG A 67 10.140 2.003 -8.786 1.00 3.33 C ATOM 1099 CD ARG A 67 10.784 3.162 -9.585 1.00 64.45 C ATOM 1100 NE ARG A 67 11.966 3.734 -8.894 1.00 2.45 N ATOM 1101 CZ ARG A 67 13.247 3.617 -9.301 1.00 53.43 C ATOM 1102 NH1 ARG A 67 13.559 2.946 -10.403 1.00 24.41 N ATOM 1103 NH2 ARG A 67 14.210 4.172 -8.583 1.00 63.32 N ATOM 0 H ARG A 67 8.661 2.906 -5.153 1.00 32.34 H new ATOM 0 HA ARG A 67 8.138 0.894 -7.020 1.00 23.21 H new ATOM 0 HB2 ARG A 67 8.857 3.220 -7.554 1.00 13.13 H new ATOM 0 HB3 ARG A 67 10.435 2.915 -6.856 1.00 13.13 H new ATOM 0 HG2 ARG A 67 10.874 1.208 -8.651 1.00 3.33 H new ATOM 0 HG3 ARG A 67 9.317 1.582 -9.364 1.00 3.33 H new ATOM 0 HD2 ARG A 67 11.081 2.800 -10.569 1.00 64.45 H new ATOM 0 HD3 ARG A 67 10.044 3.946 -9.744 1.00 64.45 H new ATOM 0 HE ARG A 67 11.795 4.261 -8.038 1.00 2.45 H new ATOM 0 HH11 ARG A 67 12.824 2.508 -10.958 1.00 24.41 H new ATOM 0 HH12 ARG A 67 14.533 2.869 -10.694 1.00 24.41 H new ATOM 0 HH21 ARG A 67 13.981 4.683 -7.730 1.00 63.32 H new ATOM 0 HH22 ARG A 67 15.182 4.089 -8.882 1.00 63.32 H new ATOM 1117 N ASP A 68 10.963 0.446 -5.366 1.00 4.40 N ATOM 1118 CA ASP A 68 12.028 -0.497 -4.990 1.00 32.23 C ATOM 1119 C ASP A 68 11.451 -1.660 -4.149 1.00 40.02 C ATOM 1120 O ASP A 68 11.912 -2.802 -4.254 1.00 43.21 O ATOM 1121 CB ASP A 68 13.138 0.271 -4.222 1.00 13.14 C ATOM 1122 CG ASP A 68 14.313 -0.623 -3.802 1.00 23.44 C ATOM 1123 OD1 ASP A 68 15.242 -0.832 -4.610 1.00 21.15 O ATOM 1124 OD2 ASP A 68 14.304 -1.147 -2.675 1.00 52.43 O ATOM 0 H ASP A 68 10.980 1.311 -4.826 1.00 4.40 H new ATOM 0 HA ASP A 68 12.466 -0.936 -5.886 1.00 32.23 H new ATOM 0 HB2 ASP A 68 13.512 1.080 -4.850 1.00 13.14 H new ATOM 0 HB3 ASP A 68 12.704 0.731 -3.334 1.00 13.14 H new ATOM 1129 N ILE A 69 10.427 -1.360 -3.331 1.00 60.11 N ATOM 1130 CA ILE A 69 9.743 -2.371 -2.485 1.00 32.23 C ATOM 1131 C ILE A 69 8.976 -3.383 -3.358 1.00 35.53 C ATOM 1132 O ILE A 69 8.907 -4.577 -3.036 1.00 44.21 O ATOM 1133 CB ILE A 69 8.739 -1.700 -1.473 1.00 33.12 C ATOM 1134 CG1 ILE A 69 9.442 -0.590 -0.629 1.00 43.41 C ATOM 1135 CG2 ILE A 69 8.063 -2.752 -0.559 1.00 15.31 C ATOM 1136 CD1 ILE A 69 10.664 -1.034 0.153 1.00 33.25 C ATOM 0 H ILE A 69 10.047 -0.418 -3.233 1.00 60.11 H new ATOM 0 HA ILE A 69 10.517 -2.888 -1.918 1.00 32.23 H new ATOM 0 HB ILE A 69 7.954 -1.225 -2.062 1.00 33.12 H new ATOM 0 HG12 ILE A 69 9.736 0.219 -1.298 1.00 43.41 H new ATOM 0 HG13 ILE A 69 8.716 -0.177 0.071 1.00 43.41 H new ATOM 0 HG21 ILE A 69 7.378 -2.252 0.126 1.00 15.31 H new ATOM 0 HG22 ILE A 69 7.510 -3.464 -1.171 1.00 15.31 H new ATOM 0 HG23 ILE A 69 8.826 -3.281 0.013 1.00 15.31 H new ATOM 0 HD11 ILE A 69 11.073 -0.186 0.702 1.00 33.25 H new ATOM 0 HD12 ILE A 69 10.381 -1.819 0.855 1.00 33.25 H new ATOM 0 HD13 ILE A 69 11.417 -1.417 -0.536 1.00 33.25 H new ATOM 1148 N VAL A 70 8.410 -2.867 -4.467 1.00 20.12 N ATOM 1149 CA VAL A 70 7.685 -3.655 -5.475 1.00 35.24 C ATOM 1150 C VAL A 70 8.571 -4.795 -6.005 1.00 12.13 C ATOM 1151 O VAL A 70 8.095 -5.913 -6.210 1.00 64.43 O ATOM 1152 CB VAL A 70 7.217 -2.727 -6.664 1.00 31.11 C ATOM 1153 CG1 VAL A 70 6.742 -3.545 -7.871 1.00 12.02 C ATOM 1154 CG2 VAL A 70 6.109 -1.738 -6.218 1.00 60.52 C ATOM 0 H VAL A 70 8.446 -1.872 -4.688 1.00 20.12 H new ATOM 0 HA VAL A 70 6.804 -4.091 -5.005 1.00 35.24 H new ATOM 0 HB VAL A 70 8.089 -2.148 -6.968 1.00 31.11 H new ATOM 0 HG11 VAL A 70 6.429 -2.870 -8.667 1.00 12.02 H new ATOM 0 HG12 VAL A 70 7.558 -4.174 -8.228 1.00 12.02 H new ATOM 0 HG13 VAL A 70 5.902 -4.174 -7.577 1.00 12.02 H new ATOM 0 HG21 VAL A 70 5.814 -1.117 -7.064 1.00 60.52 H new ATOM 0 HG22 VAL A 70 5.245 -2.297 -5.859 1.00 60.52 H new ATOM 0 HG23 VAL A 70 6.489 -1.104 -5.417 1.00 60.52 H new ATOM 1164 N GLU A 71 9.867 -4.488 -6.194 1.00 51.23 N ATOM 1165 CA GLU A 71 10.863 -5.451 -6.685 1.00 44.01 C ATOM 1166 C GLU A 71 10.971 -6.667 -5.733 1.00 41.03 C ATOM 1167 O GLU A 71 11.012 -7.816 -6.190 1.00 53.04 O ATOM 1168 CB GLU A 71 12.233 -4.747 -6.847 1.00 25.11 C ATOM 1169 CG GLU A 71 13.334 -5.601 -7.506 1.00 50.41 C ATOM 1170 CD GLU A 71 12.994 -6.013 -8.948 1.00 35.12 C ATOM 1171 OE1 GLU A 71 13.050 -5.146 -9.844 1.00 44.24 O ATOM 1172 OE2 GLU A 71 12.666 -7.198 -9.196 1.00 75.55 O ATOM 0 H GLU A 71 10.252 -3.562 -6.009 1.00 51.23 H new ATOM 0 HA GLU A 71 10.544 -5.825 -7.658 1.00 44.01 H new ATOM 0 HB2 GLU A 71 12.092 -3.844 -7.440 1.00 25.11 H new ATOM 0 HB3 GLU A 71 12.580 -4.431 -5.863 1.00 25.11 H new ATOM 0 HG2 GLU A 71 14.269 -5.041 -7.505 1.00 50.41 H new ATOM 0 HG3 GLU A 71 13.498 -6.497 -6.907 1.00 50.41 H new ATOM 1179 N TYR A 72 10.972 -6.390 -4.411 1.00 63.31 N ATOM 1180 CA TYR A 72 11.022 -7.440 -3.366 1.00 10.40 C ATOM 1181 C TYR A 72 9.731 -8.279 -3.383 1.00 21.05 C ATOM 1182 O TYR A 72 9.778 -9.507 -3.276 1.00 75.14 O ATOM 1183 CB TYR A 72 11.226 -6.814 -1.964 1.00 72.34 C ATOM 1184 CG TYR A 72 11.319 -7.829 -0.799 1.00 41.12 C ATOM 1185 CD1 TYR A 72 10.171 -8.276 -0.133 1.00 32.03 C ATOM 1186 CD2 TYR A 72 12.549 -8.327 -0.362 1.00 2.23 C ATOM 1187 CE1 TYR A 72 10.249 -9.172 0.915 1.00 3.42 C ATOM 1188 CE2 TYR A 72 12.627 -9.219 0.695 1.00 13.20 C ATOM 1189 CZ TYR A 72 11.477 -9.640 1.324 1.00 53.33 C ATOM 1190 OH TYR A 72 11.556 -10.525 2.376 1.00 24.41 O ATOM 0 H TYR A 72 10.939 -5.441 -4.039 1.00 63.31 H new ATOM 0 HA TYR A 72 11.870 -8.090 -3.583 1.00 10.40 H new ATOM 0 HB2 TYR A 72 12.138 -6.217 -1.979 1.00 72.34 H new ATOM 0 HB3 TYR A 72 10.401 -6.130 -1.765 1.00 72.34 H new ATOM 0 HD1 TYR A 72 9.203 -7.912 -0.446 1.00 32.03 H new ATOM 0 HD2 TYR A 72 13.455 -8.011 -0.857 1.00 2.23 H new ATOM 0 HE1 TYR A 72 9.350 -9.504 1.412 1.00 3.42 H new ATOM 0 HE2 TYR A 72 13.588 -9.584 1.025 1.00 13.20 H new ATOM 0 HH TYR A 72 12.494 -10.758 2.538 1.00 24.41 H new ATOM 1200 N ALA A 73 8.585 -7.593 -3.491 1.00 62.31 N ATOM 1201 CA ALA A 73 7.261 -8.235 -3.536 1.00 32.43 C ATOM 1202 C ALA A 73 7.132 -9.160 -4.772 1.00 13.13 C ATOM 1203 O ALA A 73 6.448 -10.187 -4.723 1.00 11.15 O ATOM 1204 CB ALA A 73 6.161 -7.166 -3.516 1.00 34.20 C ATOM 0 H ALA A 73 8.548 -6.575 -3.550 1.00 62.31 H new ATOM 0 HA ALA A 73 7.145 -8.863 -2.652 1.00 32.43 H new ATOM 0 HB1 ALA A 73 5.184 -7.648 -3.550 1.00 34.20 H new ATOM 0 HB2 ALA A 73 6.243 -6.576 -2.603 1.00 34.20 H new ATOM 0 HB3 ALA A 73 6.273 -6.513 -4.381 1.00 34.20 H new ATOM 1210 N GLN A 74 7.823 -8.775 -5.868 1.00 51.34 N ATOM 1211 CA GLN A 74 7.902 -9.574 -7.107 1.00 42.34 C ATOM 1212 C GLN A 74 8.805 -10.816 -6.927 1.00 41.44 C ATOM 1213 O GLN A 74 8.581 -11.826 -7.601 1.00 73.03 O ATOM 1214 CB GLN A 74 8.390 -8.707 -8.305 1.00 64.45 C ATOM 1215 CG GLN A 74 7.344 -7.698 -8.839 1.00 51.35 C ATOM 1216 CD GLN A 74 7.771 -7.005 -10.142 1.00 52.21 C ATOM 1217 OE1 GLN A 74 8.526 -7.567 -10.941 1.00 44.23 O ATOM 1218 NE2 GLN A 74 7.266 -5.811 -10.395 1.00 30.41 N ATOM 0 H GLN A 74 8.342 -7.898 -5.916 1.00 51.34 H new ATOM 0 HA GLN A 74 6.895 -9.926 -7.329 1.00 42.34 H new ATOM 0 HB2 GLN A 74 9.282 -8.159 -8.000 1.00 64.45 H new ATOM 0 HB3 GLN A 74 8.685 -9.369 -9.119 1.00 64.45 H new ATOM 0 HG2 GLN A 74 6.401 -8.218 -9.006 1.00 51.35 H new ATOM 0 HG3 GLN A 74 7.160 -6.940 -8.077 1.00 51.35 H new ATOM 0 HE21 GLN A 74 6.644 -5.367 -9.719 1.00 30.41 H new ATOM 0 HE22 GLN A 74 7.498 -5.333 -11.266 1.00 30.41 H new ATOM 1227 N LYS A 75 9.821 -10.734 -6.031 1.00 72.13 N ATOM 1228 CA LYS A 75 10.670 -11.911 -5.667 1.00 44.51 C ATOM 1229 C LYS A 75 9.792 -12.986 -5.030 1.00 54.14 C ATOM 1230 O LYS A 75 9.842 -14.164 -5.399 1.00 53.11 O ATOM 1231 CB LYS A 75 11.802 -11.548 -4.654 1.00 63.01 C ATOM 1232 CG LYS A 75 12.674 -10.348 -5.040 1.00 53.12 C ATOM 1233 CD LYS A 75 13.264 -10.442 -6.460 1.00 74.43 C ATOM 1234 CE LYS A 75 14.113 -9.219 -6.811 1.00 11.22 C ATOM 1235 NZ LYS A 75 14.480 -9.214 -8.246 1.00 75.23 N ATOM 0 H LYS A 75 10.076 -9.873 -5.547 1.00 72.13 H new ATOM 0 HA LYS A 75 11.137 -12.263 -6.587 1.00 44.51 H new ATOM 0 HB2 LYS A 75 11.347 -11.347 -3.684 1.00 63.01 H new ATOM 0 HB3 LYS A 75 12.447 -12.418 -4.529 1.00 63.01 H new ATOM 0 HG2 LYS A 75 12.079 -9.438 -4.963 1.00 53.12 H new ATOM 0 HG3 LYS A 75 13.490 -10.257 -4.323 1.00 53.12 H new ATOM 0 HD2 LYS A 75 13.874 -11.342 -6.540 1.00 74.43 H new ATOM 0 HD3 LYS A 75 12.454 -10.541 -7.183 1.00 74.43 H new ATOM 0 HE2 LYS A 75 13.562 -8.310 -6.571 1.00 11.22 H new ATOM 0 HE3 LYS A 75 15.017 -9.214 -6.202 1.00 11.22 H new ATOM 0 HZ1 LYS A 75 15.488 -8.977 -8.346 1.00 75.23 H new ATOM 0 HZ2 LYS A 75 14.304 -10.155 -8.653 1.00 75.23 H new ATOM 0 HZ3 LYS A 75 13.906 -8.507 -8.749 1.00 75.23 H new ATOM 1249 N GLU A 76 8.976 -12.520 -4.072 1.00 63.33 N ATOM 1250 CA GLU A 76 8.028 -13.342 -3.323 1.00 72.52 C ATOM 1251 C GLU A 76 6.875 -13.820 -4.224 1.00 32.14 C ATOM 1252 O GLU A 76 6.226 -14.813 -3.920 1.00 73.44 O ATOM 1253 CB GLU A 76 7.499 -12.528 -2.104 1.00 53.21 C ATOM 1254 CG GLU A 76 8.599 -11.906 -1.208 1.00 40.14 C ATOM 1255 CD GLU A 76 9.599 -12.936 -0.648 1.00 23.20 C ATOM 1256 OE1 GLU A 76 9.330 -13.522 0.415 1.00 20.12 O ATOM 1257 OE2 GLU A 76 10.651 -13.171 -1.284 1.00 0.41 O ATOM 0 H GLU A 76 8.961 -11.539 -3.794 1.00 63.33 H new ATOM 0 HA GLU A 76 8.535 -14.235 -2.959 1.00 72.52 H new ATOM 0 HB2 GLU A 76 6.855 -11.729 -2.471 1.00 53.21 H new ATOM 0 HB3 GLU A 76 6.878 -13.181 -1.491 1.00 53.21 H new ATOM 0 HG2 GLU A 76 9.145 -11.159 -1.784 1.00 40.14 H new ATOM 0 HG3 GLU A 76 8.126 -11.384 -0.377 1.00 40.14 H new ATOM 1264 N GLY A 77 6.650 -13.093 -5.342 1.00 11.03 N ATOM 1265 CA GLY A 77 5.601 -13.422 -6.308 1.00 11.15 C ATOM 1266 C GLY A 77 4.218 -13.032 -5.809 1.00 33.21 C ATOM 1267 O GLY A 77 3.203 -13.592 -6.251 1.00 71.44 O ATOM 0 H GLY A 77 7.194 -12.266 -5.591 1.00 11.03 H new ATOM 0 HA2 GLY A 77 5.803 -12.911 -7.249 1.00 11.15 H new ATOM 0 HA3 GLY A 77 5.622 -14.492 -6.515 1.00 11.15 H new ATOM 1271 N LEU A 78 4.188 -12.065 -4.877 1.00 33.03 N ATOM 1272 CA LEU A 78 2.955 -11.570 -4.259 1.00 60.35 C ATOM 1273 C LEU A 78 2.301 -10.517 -5.156 1.00 61.03 C ATOM 1274 O LEU A 78 2.979 -9.841 -5.938 1.00 44.54 O ATOM 1275 CB LEU A 78 3.255 -10.974 -2.856 1.00 33.33 C ATOM 1276 CG LEU A 78 3.924 -11.946 -1.832 1.00 64.44 C ATOM 1277 CD1 LEU A 78 4.173 -11.247 -0.484 1.00 3.41 C ATOM 1278 CD2 LEU A 78 3.110 -13.242 -1.647 1.00 73.22 C ATOM 0 H LEU A 78 5.029 -11.603 -4.531 1.00 33.03 H new ATOM 0 HA LEU A 78 2.264 -12.405 -4.140 1.00 60.35 H new ATOM 0 HB2 LEU A 78 3.903 -10.107 -2.982 1.00 33.33 H new ATOM 0 HB3 LEU A 78 2.320 -10.613 -2.428 1.00 33.33 H new ATOM 0 HG LEU A 78 4.891 -12.233 -2.246 1.00 64.44 H new ATOM 0 HD11 LEU A 78 4.639 -11.948 0.209 1.00 3.41 H new ATOM 0 HD12 LEU A 78 4.832 -10.392 -0.634 1.00 3.41 H new ATOM 0 HD13 LEU A 78 3.224 -10.905 -0.071 1.00 3.41 H new ATOM 0 HD21 LEU A 78 3.612 -13.888 -0.927 1.00 73.22 H new ATOM 0 HD22 LEU A 78 2.113 -12.996 -1.281 1.00 73.22 H new ATOM 0 HD23 LEU A 78 3.028 -13.760 -2.603 1.00 73.22 H new ATOM 1290 N ARG A 79 0.975 -10.400 -5.025 1.00 41.21 N ATOM 1291 CA ARG A 79 0.167 -9.429 -5.771 1.00 71.15 C ATOM 1292 C ARG A 79 0.471 -8.034 -5.200 1.00 32.14 C ATOM 1293 O ARG A 79 0.272 -7.801 -4.012 1.00 13.30 O ATOM 1294 CB ARG A 79 -1.337 -9.816 -5.625 1.00 70.50 C ATOM 1295 CG ARG A 79 -2.315 -9.205 -6.666 1.00 53.23 C ATOM 1296 CD ARG A 79 -2.620 -7.700 -6.477 1.00 65.34 C ATOM 1297 NE ARG A 79 -3.578 -7.227 -7.492 1.00 54.44 N ATOM 1298 CZ ARG A 79 -3.251 -6.604 -8.633 1.00 23.24 C ATOM 1299 NH1 ARG A 79 -1.985 -6.325 -8.926 1.00 52.02 N ATOM 1300 NH2 ARG A 79 -4.202 -6.288 -9.498 1.00 25.25 N ATOM 0 H ARG A 79 0.427 -10.983 -4.392 1.00 41.21 H new ATOM 0 HA ARG A 79 0.403 -9.426 -6.835 1.00 71.15 H new ATOM 0 HB2 ARG A 79 -1.416 -10.902 -5.679 1.00 70.50 H new ATOM 0 HB3 ARG A 79 -1.670 -9.521 -4.630 1.00 70.50 H new ATOM 0 HG2 ARG A 79 -1.899 -9.353 -7.663 1.00 53.23 H new ATOM 0 HG3 ARG A 79 -3.254 -9.758 -6.627 1.00 53.23 H new ATOM 0 HD2 ARG A 79 -3.026 -7.529 -5.480 1.00 65.34 H new ATOM 0 HD3 ARG A 79 -1.696 -7.126 -6.547 1.00 65.34 H new ATOM 0 HE ARG A 79 -4.569 -7.386 -7.312 1.00 54.44 H new ATOM 0 HH11 ARG A 79 -1.242 -6.586 -8.277 1.00 52.02 H new ATOM 0 HH12 ARG A 79 -1.756 -5.850 -9.799 1.00 52.02 H new ATOM 0 HH21 ARG A 79 -5.174 -6.519 -9.294 1.00 25.25 H new ATOM 0 HH22 ARG A 79 -3.962 -5.814 -10.369 1.00 25.25 H new ATOM 1314 N VAL A 80 0.946 -7.117 -6.057 1.00 12.55 N ATOM 1315 CA VAL A 80 1.399 -5.789 -5.633 1.00 40.11 C ATOM 1316 C VAL A 80 0.351 -4.769 -6.087 1.00 72.24 C ATOM 1317 O VAL A 80 0.049 -4.667 -7.288 1.00 71.40 O ATOM 1318 CB VAL A 80 2.811 -5.411 -6.234 1.00 43.34 C ATOM 1319 CG1 VAL A 80 3.385 -4.160 -5.524 1.00 15.30 C ATOM 1320 CG2 VAL A 80 3.798 -6.602 -6.173 1.00 33.31 C ATOM 0 H VAL A 80 1.026 -7.278 -7.061 1.00 12.55 H new ATOM 0 HA VAL A 80 1.511 -5.788 -4.549 1.00 40.11 H new ATOM 0 HB VAL A 80 2.673 -5.170 -7.288 1.00 43.34 H new ATOM 0 HG11 VAL A 80 4.358 -3.914 -5.950 1.00 15.30 H new ATOM 0 HG12 VAL A 80 2.705 -3.319 -5.662 1.00 15.30 H new ATOM 0 HG13 VAL A 80 3.497 -4.365 -4.459 1.00 15.30 H new ATOM 0 HG21 VAL A 80 4.757 -6.302 -6.596 1.00 33.31 H new ATOM 0 HG22 VAL A 80 3.938 -6.906 -5.136 1.00 33.31 H new ATOM 0 HG23 VAL A 80 3.395 -7.438 -6.745 1.00 33.31 H new ATOM 1330 N LEU A 81 -0.208 -4.048 -5.117 1.00 62.31 N ATOM 1331 CA LEU A 81 -1.245 -3.052 -5.346 1.00 21.40 C ATOM 1332 C LEU A 81 -0.915 -1.819 -4.506 1.00 73.42 C ATOM 1333 O LEU A 81 -0.993 -1.871 -3.281 1.00 10.23 O ATOM 1334 CB LEU A 81 -2.623 -3.636 -4.938 1.00 32.12 C ATOM 1335 CG LEU A 81 -3.876 -2.798 -5.335 1.00 71.11 C ATOM 1336 CD1 LEU A 81 -4.145 -2.860 -6.851 1.00 32.31 C ATOM 1337 CD2 LEU A 81 -5.105 -3.252 -4.532 1.00 25.21 C ATOM 0 H LEU A 81 0.053 -4.143 -4.136 1.00 62.31 H new ATOM 0 HA LEU A 81 -1.288 -2.777 -6.400 1.00 21.40 H new ATOM 0 HB2 LEU A 81 -2.719 -4.626 -5.383 1.00 32.12 H new ATOM 0 HB3 LEU A 81 -2.630 -3.770 -3.856 1.00 32.12 H new ATOM 0 HG LEU A 81 -3.673 -1.756 -5.088 1.00 71.11 H new ATOM 0 HD11 LEU A 81 -5.026 -2.264 -7.089 1.00 32.31 H new ATOM 0 HD12 LEU A 81 -3.284 -2.465 -7.390 1.00 32.31 H new ATOM 0 HD13 LEU A 81 -4.316 -3.895 -7.148 1.00 32.31 H new ATOM 0 HD21 LEU A 81 -5.970 -2.656 -4.823 1.00 25.21 H new ATOM 0 HD22 LEU A 81 -5.304 -4.304 -4.736 1.00 25.21 H new ATOM 0 HD23 LEU A 81 -4.914 -3.119 -3.467 1.00 25.21 H new ATOM 1349 N VAL A 82 -0.523 -0.721 -5.151 1.00 21.43 N ATOM 1350 CA VAL A 82 -0.168 0.519 -4.438 1.00 73.10 C ATOM 1351 C VAL A 82 -1.344 1.495 -4.553 1.00 53.10 C ATOM 1352 O VAL A 82 -1.645 1.972 -5.637 1.00 33.34 O ATOM 1353 CB VAL A 82 1.153 1.150 -5.023 1.00 60.41 C ATOM 1354 CG1 VAL A 82 1.583 2.406 -4.221 1.00 72.11 C ATOM 1355 CG2 VAL A 82 2.285 0.090 -5.080 1.00 12.54 C ATOM 0 H VAL A 82 -0.441 -0.659 -6.166 1.00 21.43 H new ATOM 0 HA VAL A 82 0.024 0.298 -3.388 1.00 73.10 H new ATOM 0 HB VAL A 82 0.951 1.478 -6.043 1.00 60.41 H new ATOM 0 HG11 VAL A 82 2.497 2.817 -4.650 1.00 72.11 H new ATOM 0 HG12 VAL A 82 0.792 3.155 -4.266 1.00 72.11 H new ATOM 0 HG13 VAL A 82 1.762 2.130 -3.182 1.00 72.11 H new ATOM 0 HG21 VAL A 82 3.189 0.544 -5.486 1.00 12.54 H new ATOM 0 HG22 VAL A 82 2.486 -0.282 -4.075 1.00 12.54 H new ATOM 0 HG23 VAL A 82 1.976 -0.738 -5.718 1.00 12.54 H new ATOM 1365 N ILE A 83 -2.010 1.769 -3.429 1.00 42.43 N ATOM 1366 CA ILE A 83 -3.192 2.641 -3.383 1.00 13.34 C ATOM 1367 C ILE A 83 -2.783 3.991 -2.783 1.00 54.20 C ATOM 1368 O ILE A 83 -2.547 4.083 -1.585 1.00 70.10 O ATOM 1369 CB ILE A 83 -4.326 1.976 -2.508 1.00 60.34 C ATOM 1370 CG1 ILE A 83 -4.593 0.519 -3.007 1.00 53.12 C ATOM 1371 CG2 ILE A 83 -5.629 2.830 -2.532 1.00 22.02 C ATOM 1372 CD1 ILE A 83 -5.550 -0.290 -2.144 1.00 43.54 C ATOM 0 H ILE A 83 -1.745 1.392 -2.519 1.00 42.43 H new ATOM 0 HA ILE A 83 -3.581 2.788 -4.390 1.00 13.34 H new ATOM 0 HB ILE A 83 -3.989 1.933 -1.472 1.00 60.34 H new ATOM 0 HG12 ILE A 83 -4.992 0.565 -4.020 1.00 53.12 H new ATOM 0 HG13 ILE A 83 -3.642 -0.010 -3.063 1.00 53.12 H new ATOM 0 HG21 ILE A 83 -6.392 2.347 -1.921 1.00 22.02 H new ATOM 0 HG22 ILE A 83 -5.420 3.823 -2.134 1.00 22.02 H new ATOM 0 HG23 ILE A 83 -5.988 2.918 -3.558 1.00 22.02 H new ATOM 0 HD11 ILE A 83 -5.672 -1.286 -2.571 1.00 43.54 H new ATOM 0 HD12 ILE A 83 -5.147 -0.375 -1.135 1.00 43.54 H new ATOM 0 HD13 ILE A 83 -6.518 0.210 -2.107 1.00 43.54 H new ATOM 1384 N LYS A 84 -2.722 5.033 -3.615 1.00 30.22 N ATOM 1385 CA LYS A 84 -2.310 6.380 -3.188 1.00 52.33 C ATOM 1386 C LYS A 84 -3.369 7.413 -3.546 1.00 53.12 C ATOM 1387 O LYS A 84 -3.998 7.335 -4.607 1.00 10.10 O ATOM 1388 CB LYS A 84 -0.947 6.786 -3.797 1.00 22.33 C ATOM 1389 CG LYS A 84 -0.809 6.642 -5.326 1.00 22.35 C ATOM 1390 CD LYS A 84 0.022 7.793 -5.950 1.00 20.41 C ATOM 1391 CE LYS A 84 0.521 7.463 -7.360 1.00 41.45 C ATOM 1392 NZ LYS A 84 1.655 6.504 -7.335 1.00 10.31 N ATOM 0 H LYS A 84 -2.956 4.971 -4.606 1.00 30.22 H new ATOM 0 HA LYS A 84 -2.198 6.349 -2.104 1.00 52.33 H new ATOM 0 HB2 LYS A 84 -0.751 7.825 -3.533 1.00 22.33 H new ATOM 0 HB3 LYS A 84 -0.170 6.185 -3.326 1.00 22.33 H new ATOM 0 HG2 LYS A 84 -0.336 5.688 -5.558 1.00 22.35 H new ATOM 0 HG3 LYS A 84 -1.800 6.625 -5.779 1.00 22.35 H new ATOM 0 HD2 LYS A 84 -0.586 8.697 -5.986 1.00 20.41 H new ATOM 0 HD3 LYS A 84 0.876 8.009 -5.308 1.00 20.41 H new ATOM 0 HE2 LYS A 84 -0.297 7.043 -7.946 1.00 41.45 H new ATOM 0 HE3 LYS A 84 0.832 8.381 -7.859 1.00 41.45 H new ATOM 0 HZ1 LYS A 84 1.714 6.012 -8.249 1.00 10.31 H new ATOM 0 HZ2 LYS A 84 2.542 7.019 -7.162 1.00 10.31 H new ATOM 0 HZ3 LYS A 84 1.505 5.809 -6.576 1.00 10.31 H new ATOM 1406 N VAL A 85 -3.580 8.365 -2.632 1.00 22.25 N ATOM 1407 CA VAL A 85 -4.497 9.480 -2.850 1.00 54.03 C ATOM 1408 C VAL A 85 -3.756 10.633 -3.549 1.00 3.43 C ATOM 1409 O VAL A 85 -2.894 11.289 -2.949 1.00 45.52 O ATOM 1410 CB VAL A 85 -5.136 9.981 -1.490 1.00 70.02 C ATOM 1411 CG1 VAL A 85 -6.135 11.146 -1.721 1.00 74.13 C ATOM 1412 CG2 VAL A 85 -5.802 8.807 -0.724 1.00 3.43 C ATOM 0 H VAL A 85 -3.119 8.381 -1.722 1.00 22.25 H new ATOM 0 HA VAL A 85 -5.310 9.132 -3.487 1.00 54.03 H new ATOM 0 HB VAL A 85 -4.328 10.370 -0.870 1.00 70.02 H new ATOM 0 HG11 VAL A 85 -6.552 11.462 -0.765 1.00 74.13 H new ATOM 0 HG12 VAL A 85 -5.615 11.984 -2.185 1.00 74.13 H new ATOM 0 HG13 VAL A 85 -6.940 10.811 -2.375 1.00 74.13 H new ATOM 0 HG21 VAL A 85 -6.233 9.177 0.206 1.00 3.43 H new ATOM 0 HG22 VAL A 85 -6.588 8.370 -1.340 1.00 3.43 H new ATOM 0 HG23 VAL A 85 -5.053 8.048 -0.500 1.00 3.43 H new ATOM 1422 N ALA A 86 -4.068 10.817 -4.844 1.00 12.53 N ATOM 1423 CA ALA A 86 -3.648 11.996 -5.620 1.00 32.31 C ATOM 1424 C ALA A 86 -4.741 13.078 -5.521 1.00 2.40 C ATOM 1425 O ALA A 86 -5.651 12.967 -4.691 1.00 23.10 O ATOM 1426 CB ALA A 86 -3.404 11.580 -7.081 1.00 1.15 C ATOM 0 H ALA A 86 -4.620 10.150 -5.383 1.00 12.53 H new ATOM 0 HA ALA A 86 -2.720 12.406 -5.222 1.00 32.31 H new ATOM 0 HB1 ALA A 86 -3.093 12.450 -7.660 1.00 1.15 H new ATOM 0 HB2 ALA A 86 -2.622 10.821 -7.118 1.00 1.15 H new ATOM 0 HB3 ALA A 86 -4.324 11.174 -7.502 1.00 1.15 H new ATOM 1432 N GLN A 87 -4.621 14.136 -6.338 1.00 14.51 N ATOM 1433 CA GLN A 87 -5.680 15.153 -6.542 1.00 62.42 C ATOM 1434 C GLN A 87 -5.573 15.667 -7.990 1.00 1.24 C ATOM 1435 O GLN A 87 -5.781 16.859 -8.250 1.00 33.34 O ATOM 1436 CB GLN A 87 -5.551 16.342 -5.530 1.00 42.32 C ATOM 1437 CG GLN A 87 -5.874 16.016 -4.060 1.00 52.14 C ATOM 1438 CD GLN A 87 -5.828 17.244 -3.155 1.00 42.05 C ATOM 1439 OE1 GLN A 87 -4.780 17.581 -2.601 1.00 43.44 O ATOM 1440 NE2 GLN A 87 -6.956 17.915 -2.997 1.00 21.24 N ATOM 0 H GLN A 87 -3.779 14.317 -6.884 1.00 14.51 H new ATOM 0 HA GLN A 87 -6.654 14.696 -6.366 1.00 62.42 H new ATOM 0 HB2 GLN A 87 -4.533 16.727 -5.581 1.00 42.32 H new ATOM 0 HB3 GLN A 87 -6.212 17.145 -5.857 1.00 42.32 H new ATOM 0 HG2 GLN A 87 -6.865 15.565 -4.002 1.00 52.14 H new ATOM 0 HG3 GLN A 87 -5.165 15.274 -3.693 1.00 52.14 H new ATOM 0 HE21 GLN A 87 -7.804 17.606 -3.472 1.00 21.24 H new ATOM 0 HE22 GLN A 87 -6.978 18.742 -2.400 1.00 21.24 H new ATOM 1449 N ASP A 88 -5.277 14.732 -8.920 1.00 43.24 N ATOM 1450 CA ASP A 88 -4.878 15.041 -10.305 1.00 20.01 C ATOM 1451 C ASP A 88 -3.577 15.860 -10.280 1.00 64.31 C ATOM 1452 O ASP A 88 -3.601 17.096 -10.197 1.00 64.22 O ATOM 1453 CB ASP A 88 -6.006 15.759 -11.119 1.00 42.43 C ATOM 1454 CG ASP A 88 -7.128 14.812 -11.586 1.00 3.43 C ATOM 1455 OD1 ASP A 88 -7.860 14.266 -10.734 1.00 74.42 O ATOM 1456 OD2 ASP A 88 -7.271 14.598 -12.814 1.00 73.41 O ATOM 0 H ASP A 88 -5.310 13.731 -8.725 1.00 43.24 H new ATOM 0 HA ASP A 88 -4.704 14.101 -10.829 1.00 20.01 H new ATOM 0 HB2 ASP A 88 -6.440 16.548 -10.504 1.00 42.43 H new ATOM 0 HB3 ASP A 88 -5.563 16.241 -11.990 1.00 42.43 H new ATOM 1461 N GLN A 89 -2.443 15.156 -10.307 1.00 4.42 N ATOM 1462 CA GLN A 89 -1.127 15.750 -10.040 1.00 71.33 C ATOM 1463 C GLN A 89 -0.143 15.275 -11.133 1.00 73.52 C ATOM 1464 O GLN A 89 0.109 14.071 -11.262 1.00 23.14 O ATOM 1465 CB GLN A 89 -0.673 15.346 -8.596 1.00 60.02 C ATOM 1466 CG GLN A 89 0.154 16.406 -7.828 1.00 72.43 C ATOM 1467 CD GLN A 89 1.543 16.693 -8.415 1.00 1.02 C ATOM 1468 OE1 GLN A 89 2.172 15.837 -9.021 1.00 21.24 O ATOM 1469 NE2 GLN A 89 2.034 17.898 -8.226 1.00 54.15 N ATOM 0 H GLN A 89 -2.409 14.158 -10.514 1.00 4.42 H new ATOM 0 HA GLN A 89 -1.161 16.839 -10.077 1.00 71.33 H new ATOM 0 HB2 GLN A 89 -1.561 15.110 -8.009 1.00 60.02 H new ATOM 0 HB3 GLN A 89 -0.083 14.432 -8.663 1.00 60.02 H new ATOM 0 HG2 GLN A 89 -0.412 17.337 -7.801 1.00 72.43 H new ATOM 0 HG3 GLN A 89 0.273 16.075 -6.796 1.00 72.43 H new ATOM 0 HE21 GLN A 89 1.491 18.596 -7.717 1.00 54.15 H new ATOM 0 HE22 GLN A 89 2.958 18.135 -8.588 1.00 54.15 H new ATOM 1478 N GLU A 90 0.394 16.251 -11.894 1.00 32.54 N ATOM 1479 CA GLU A 90 1.215 16.027 -13.106 1.00 3.23 C ATOM 1480 C GLU A 90 2.475 15.194 -12.807 1.00 23.53 C ATOM 1481 O GLU A 90 2.683 14.141 -13.409 1.00 20.30 O ATOM 1482 CB GLU A 90 1.611 17.408 -13.719 1.00 30.35 C ATOM 1483 CG GLU A 90 0.410 18.319 -14.062 1.00 70.51 C ATOM 1484 CD GLU A 90 0.820 19.768 -14.394 1.00 22.32 C ATOM 1485 OE1 GLU A 90 1.054 20.556 -13.449 1.00 20.33 O ATOM 1486 OE2 GLU A 90 0.923 20.126 -15.591 1.00 63.45 O ATOM 0 H GLU A 90 0.267 17.240 -11.679 1.00 32.54 H new ATOM 0 HA GLU A 90 0.619 15.458 -13.820 1.00 3.23 H new ATOM 0 HB2 GLU A 90 2.260 17.931 -13.017 1.00 30.35 H new ATOM 0 HB3 GLU A 90 2.193 17.237 -14.625 1.00 30.35 H new ATOM 0 HG2 GLU A 90 -0.127 17.897 -14.912 1.00 70.51 H new ATOM 0 HG3 GLU A 90 -0.282 18.328 -13.220 1.00 70.51 H new ATOM 1493 N LEU A 91 3.266 15.661 -11.830 1.00 50.54 N ATOM 1494 CA LEU A 91 4.547 15.034 -11.424 1.00 25.51 C ATOM 1495 C LEU A 91 4.332 13.587 -10.936 1.00 74.23 C ATOM 1496 O LEU A 91 5.117 12.673 -11.239 1.00 33.44 O ATOM 1497 CB LEU A 91 5.203 15.891 -10.304 1.00 0.23 C ATOM 1498 CG LEU A 91 6.573 15.384 -9.747 1.00 62.52 C ATOM 1499 CD1 LEU A 91 7.655 15.350 -10.849 1.00 4.35 C ATOM 1500 CD2 LEU A 91 7.021 16.231 -8.528 1.00 10.12 C ATOM 0 H LEU A 91 3.037 16.495 -11.289 1.00 50.54 H new ATOM 0 HA LEU A 91 5.207 14.994 -12.290 1.00 25.51 H new ATOM 0 HB2 LEU A 91 5.344 16.902 -10.687 1.00 0.23 H new ATOM 0 HB3 LEU A 91 4.502 15.960 -9.473 1.00 0.23 H new ATOM 0 HG LEU A 91 6.436 14.358 -9.404 1.00 62.52 H new ATOM 0 HD11 LEU A 91 8.594 14.993 -10.426 1.00 4.35 H new ATOM 0 HD12 LEU A 91 7.339 14.680 -11.649 1.00 4.35 H new ATOM 0 HD13 LEU A 91 7.797 16.353 -11.251 1.00 4.35 H new ATOM 0 HD21 LEU A 91 7.977 15.859 -8.158 1.00 10.12 H new ATOM 0 HD22 LEU A 91 7.129 17.273 -8.829 1.00 10.12 H new ATOM 0 HD23 LEU A 91 6.273 16.157 -7.739 1.00 10.12 H new ATOM 1512 N LEU A 92 3.226 13.411 -10.207 1.00 21.41 N ATOM 1513 CA LEU A 92 2.820 12.142 -9.597 1.00 11.51 C ATOM 1514 C LEU A 92 2.523 11.077 -10.669 1.00 54.55 C ATOM 1515 O LEU A 92 2.759 9.889 -10.437 1.00 55.45 O ATOM 1516 CB LEU A 92 1.598 12.425 -8.670 1.00 65.42 C ATOM 1517 CG LEU A 92 0.824 11.208 -8.035 1.00 4.22 C ATOM 1518 CD1 LEU A 92 0.281 11.565 -6.624 1.00 63.44 C ATOM 1519 CD2 LEU A 92 -0.337 10.721 -8.960 1.00 23.03 C ATOM 0 H LEU A 92 2.570 14.169 -10.020 1.00 21.41 H new ATOM 0 HA LEU A 92 3.631 11.729 -8.996 1.00 11.51 H new ATOM 0 HB2 LEU A 92 1.944 13.058 -7.853 1.00 65.42 H new ATOM 0 HB3 LEU A 92 0.879 13.010 -9.243 1.00 65.42 H new ATOM 0 HG LEU A 92 1.537 10.390 -7.932 1.00 4.22 H new ATOM 0 HD11 LEU A 92 -0.248 10.707 -6.210 1.00 63.44 H new ATOM 0 HD12 LEU A 92 1.112 11.828 -5.970 1.00 63.44 H new ATOM 0 HD13 LEU A 92 -0.402 12.411 -6.700 1.00 63.44 H new ATOM 0 HD21 LEU A 92 -0.849 9.881 -8.490 1.00 23.03 H new ATOM 0 HD22 LEU A 92 -1.044 11.536 -9.116 1.00 23.03 H new ATOM 0 HD23 LEU A 92 0.071 10.406 -9.921 1.00 23.03 H new ATOM 1531 N GLU A 93 2.014 11.523 -11.841 1.00 70.23 N ATOM 1532 CA GLU A 93 1.662 10.632 -12.970 1.00 30.41 C ATOM 1533 C GLU A 93 2.879 9.915 -13.559 1.00 53.25 C ATOM 1534 O GLU A 93 2.734 8.809 -14.077 1.00 1.52 O ATOM 1535 CB GLU A 93 0.957 11.415 -14.093 1.00 71.31 C ATOM 1536 CG GLU A 93 -0.429 11.964 -13.724 1.00 75.42 C ATOM 1537 CD GLU A 93 -1.037 12.770 -14.870 1.00 63.45 C ATOM 1538 OE1 GLU A 93 -1.346 12.169 -15.919 1.00 22.42 O ATOM 1539 OE2 GLU A 93 -1.180 14.008 -14.743 1.00 44.04 O ATOM 0 H GLU A 93 1.836 12.509 -12.030 1.00 70.23 H new ATOM 0 HA GLU A 93 0.988 9.880 -12.558 1.00 30.41 H new ATOM 0 HB2 GLU A 93 1.594 12.247 -14.391 1.00 71.31 H new ATOM 0 HB3 GLU A 93 0.855 10.764 -14.962 1.00 71.31 H new ATOM 0 HG2 GLU A 93 -1.092 11.138 -13.468 1.00 75.42 H new ATOM 0 HG3 GLU A 93 -0.348 12.594 -12.838 1.00 75.42 H new ATOM 1546 N ARG A 94 4.060 10.557 -13.506 1.00 53.03 N ATOM 1547 CA ARG A 94 5.309 9.943 -14.003 1.00 64.21 C ATOM 1548 C ARG A 94 5.627 8.670 -13.200 1.00 30.33 C ATOM 1549 O ARG A 94 5.907 7.603 -13.778 1.00 22.02 O ATOM 1550 CB ARG A 94 6.497 10.946 -13.938 1.00 25.52 C ATOM 1551 CG ARG A 94 7.862 10.342 -14.372 1.00 41.43 C ATOM 1552 CD ARG A 94 7.851 9.774 -15.813 1.00 35.34 C ATOM 1553 NE ARG A 94 9.020 8.912 -16.070 1.00 22.04 N ATOM 1554 CZ ARG A 94 9.011 7.564 -16.087 1.00 51.14 C ATOM 1555 NH1 ARG A 94 7.891 6.877 -15.848 1.00 23.13 N ATOM 1556 NH2 ARG A 94 10.135 6.909 -16.301 1.00 3.13 N ATOM 0 H ARG A 94 4.178 11.496 -13.126 1.00 53.03 H new ATOM 0 HA ARG A 94 5.164 9.673 -15.049 1.00 64.21 H new ATOM 0 HB2 ARG A 94 6.272 11.801 -14.575 1.00 25.52 H new ATOM 0 HB3 ARG A 94 6.586 11.322 -12.919 1.00 25.52 H new ATOM 0 HG2 ARG A 94 8.631 11.111 -14.298 1.00 41.43 H new ATOM 0 HG3 ARG A 94 8.137 9.548 -13.678 1.00 41.43 H new ATOM 0 HD2 ARG A 94 6.936 9.203 -15.972 1.00 35.34 H new ATOM 0 HD3 ARG A 94 7.842 10.597 -16.528 1.00 35.34 H new ATOM 0 HE ARG A 94 9.911 9.375 -16.250 1.00 22.04 H new ATOM 0 HH11 ARG A 94 7.022 7.372 -15.648 1.00 23.13 H new ATOM 0 HH12 ARG A 94 7.905 5.857 -15.865 1.00 23.13 H new ATOM 0 HH21 ARG A 94 11.003 7.422 -16.452 1.00 3.13 H new ATOM 0 HH22 ARG A 94 10.136 5.889 -16.315 1.00 3.13 H new ATOM 1570 N PHE A 95 5.540 8.796 -11.867 1.00 40.43 N ATOM 1571 CA PHE A 95 5.783 7.681 -10.950 1.00 60.45 C ATOM 1572 C PHE A 95 4.653 6.644 -11.059 1.00 33.04 C ATOM 1573 O PHE A 95 4.917 5.453 -11.137 1.00 32.45 O ATOM 1574 CB PHE A 95 5.931 8.179 -9.491 1.00 62.33 C ATOM 1575 CG PHE A 95 6.259 7.046 -8.512 1.00 74.40 C ATOM 1576 CD1 PHE A 95 7.533 6.482 -8.499 1.00 3.24 C ATOM 1577 CD2 PHE A 95 5.292 6.517 -7.653 1.00 64.22 C ATOM 1578 CE1 PHE A 95 7.830 5.442 -7.652 1.00 22.42 C ATOM 1579 CE2 PHE A 95 5.597 5.465 -6.809 1.00 12.53 C ATOM 1580 CZ PHE A 95 6.864 4.929 -6.808 1.00 45.02 C ATOM 0 H PHE A 95 5.300 9.671 -11.400 1.00 40.43 H new ATOM 0 HA PHE A 95 6.721 7.205 -11.235 1.00 60.45 H new ATOM 0 HB2 PHE A 95 6.718 8.932 -9.446 1.00 62.33 H new ATOM 0 HB3 PHE A 95 5.006 8.665 -9.181 1.00 62.33 H new ATOM 0 HD1 PHE A 95 8.295 6.866 -9.161 1.00 3.24 H new ATOM 0 HD2 PHE A 95 4.296 6.934 -7.648 1.00 64.22 H new ATOM 0 HE1 PHE A 95 8.825 5.023 -7.646 1.00 22.42 H new ATOM 0 HE2 PHE A 95 4.841 5.064 -6.151 1.00 12.53 H new ATOM 0 HZ PHE A 95 7.103 4.108 -6.148 1.00 45.02 H new ATOM 1590 N TYR A 96 3.402 7.131 -11.070 1.00 3.22 N ATOM 1591 CA TYR A 96 2.194 6.292 -11.176 1.00 22.24 C ATOM 1592 C TYR A 96 2.267 5.382 -12.425 1.00 32.21 C ATOM 1593 O TYR A 96 2.063 4.171 -12.337 1.00 43.13 O ATOM 1594 CB TYR A 96 0.932 7.210 -11.209 1.00 12.23 C ATOM 1595 CG TYR A 96 -0.362 6.525 -11.698 1.00 42.31 C ATOM 1596 CD1 TYR A 96 -1.011 5.580 -10.909 1.00 63.01 C ATOM 1597 CD2 TYR A 96 -0.898 6.804 -12.964 1.00 4.32 C ATOM 1598 CE1 TYR A 96 -2.139 4.928 -11.361 1.00 71.44 C ATOM 1599 CE2 TYR A 96 -2.035 6.157 -13.414 1.00 11.15 C ATOM 1600 CZ TYR A 96 -2.648 5.218 -12.610 1.00 22.24 C ATOM 1601 OH TYR A 96 -3.765 4.556 -13.063 1.00 63.03 O ATOM 0 H TYR A 96 3.197 8.128 -11.005 1.00 3.22 H new ATOM 0 HA TYR A 96 2.127 5.638 -10.306 1.00 22.24 H new ATOM 0 HB2 TYR A 96 0.761 7.602 -10.207 1.00 12.23 H new ATOM 0 HB3 TYR A 96 1.139 8.064 -11.854 1.00 12.23 H new ATOM 0 HD1 TYR A 96 -0.625 5.353 -9.926 1.00 63.01 H new ATOM 0 HD2 TYR A 96 -0.416 7.535 -13.597 1.00 4.32 H new ATOM 0 HE1 TYR A 96 -2.623 4.191 -10.738 1.00 71.44 H new ATOM 0 HE2 TYR A 96 -2.440 6.385 -14.389 1.00 11.15 H new ATOM 0 HH TYR A 96 -3.995 4.878 -13.960 1.00 63.03 H new ATOM 1611 N GLU A 97 2.611 5.975 -13.572 1.00 43.50 N ATOM 1612 CA GLU A 97 2.636 5.261 -14.856 1.00 51.32 C ATOM 1613 C GLU A 97 3.795 4.256 -14.906 1.00 42.22 C ATOM 1614 O GLU A 97 3.716 3.282 -15.641 1.00 32.34 O ATOM 1615 CB GLU A 97 2.749 6.256 -16.029 1.00 65.34 C ATOM 1616 CG GLU A 97 2.450 5.636 -17.409 1.00 35.25 C ATOM 1617 CD GLU A 97 2.461 6.667 -18.543 1.00 24.34 C ATOM 1618 OE1 GLU A 97 1.450 7.382 -18.715 1.00 0.15 O ATOM 1619 OE2 GLU A 97 3.488 6.785 -19.248 1.00 22.14 O ATOM 0 H GLU A 97 2.879 6.957 -13.639 1.00 43.50 H new ATOM 0 HA GLU A 97 1.699 4.711 -14.949 1.00 51.32 H new ATOM 0 HB2 GLU A 97 2.061 7.084 -15.857 1.00 65.34 H new ATOM 0 HB3 GLU A 97 3.755 6.675 -16.041 1.00 65.34 H new ATOM 0 HG2 GLU A 97 3.188 4.862 -17.621 1.00 35.25 H new ATOM 0 HG3 GLU A 97 1.476 5.148 -17.379 1.00 35.25 H new ATOM 1626 N GLN A 98 4.860 4.513 -14.110 1.00 52.13 N ATOM 1627 CA GLN A 98 6.059 3.647 -14.051 1.00 22.01 C ATOM 1628 C GLN A 98 5.647 2.209 -13.660 1.00 21.22 C ATOM 1629 O GLN A 98 5.960 1.252 -14.385 1.00 45.22 O ATOM 1630 CB GLN A 98 7.094 4.235 -13.028 1.00 12.32 C ATOM 1631 CG GLN A 98 8.565 3.742 -13.151 1.00 23.32 C ATOM 1632 CD GLN A 98 8.779 2.229 -12.976 1.00 33.32 C ATOM 1633 OE1 GLN A 98 8.964 1.739 -11.866 1.00 62.23 O ATOM 1634 NE2 GLN A 98 8.733 1.481 -14.068 1.00 23.00 N ATOM 0 H GLN A 98 4.911 5.324 -13.493 1.00 52.13 H new ATOM 0 HA GLN A 98 6.532 3.613 -15.032 1.00 22.01 H new ATOM 0 HB2 GLN A 98 7.091 5.320 -13.128 1.00 12.32 H new ATOM 0 HB3 GLN A 98 6.743 4.007 -12.022 1.00 12.32 H new ATOM 0 HG2 GLN A 98 8.946 4.033 -14.130 1.00 23.32 H new ATOM 0 HG3 GLN A 98 9.167 4.264 -12.407 1.00 23.32 H new ATOM 0 HE21 GLN A 98 8.578 1.916 -14.978 1.00 23.00 H new ATOM 0 HE22 GLN A 98 8.853 0.470 -13.999 1.00 23.00 H new ATOM 1643 N LEU A 99 4.905 2.085 -12.545 1.00 32.43 N ATOM 1644 CA LEU A 99 4.504 0.772 -12.004 1.00 0.31 C ATOM 1645 C LEU A 99 3.544 0.077 -12.973 1.00 63.12 C ATOM 1646 O LEU A 99 3.690 -1.109 -13.248 1.00 23.41 O ATOM 1647 CB LEU A 99 3.846 0.883 -10.595 1.00 43.12 C ATOM 1648 CG LEU A 99 4.741 1.407 -9.418 1.00 75.41 C ATOM 1649 CD1 LEU A 99 4.971 2.920 -9.506 1.00 21.41 C ATOM 1650 CD2 LEU A 99 4.138 1.022 -8.053 1.00 4.44 C ATOM 0 H LEU A 99 4.570 2.879 -12.000 1.00 32.43 H new ATOM 0 HA LEU A 99 5.412 0.180 -11.892 1.00 0.31 H new ATOM 0 HB2 LEU A 99 2.981 1.541 -10.678 1.00 43.12 H new ATOM 0 HB3 LEU A 99 3.471 -0.103 -10.320 1.00 43.12 H new ATOM 0 HG LEU A 99 5.714 0.924 -9.511 1.00 75.41 H new ATOM 0 HD11 LEU A 99 5.595 3.242 -8.673 1.00 21.41 H new ATOM 0 HD12 LEU A 99 5.469 3.158 -10.446 1.00 21.41 H new ATOM 0 HD13 LEU A 99 4.012 3.437 -9.462 1.00 21.41 H new ATOM 0 HD21 LEU A 99 4.778 1.397 -7.254 1.00 4.44 H new ATOM 0 HD22 LEU A 99 3.144 1.459 -7.958 1.00 4.44 H new ATOM 0 HD23 LEU A 99 4.065 -0.063 -7.980 1.00 4.44 H new ATOM 1662 N LYS A 100 2.578 0.851 -13.505 1.00 72.42 N ATOM 1663 CA LYS A 100 1.575 0.354 -14.468 1.00 75.03 C ATOM 1664 C LYS A 100 2.233 -0.154 -15.766 1.00 33.12 C ATOM 1665 O LYS A 100 1.804 -1.165 -16.327 1.00 51.12 O ATOM 1666 CB LYS A 100 0.518 1.464 -14.770 1.00 14.04 C ATOM 1667 CG LYS A 100 -0.521 1.716 -13.632 1.00 62.15 C ATOM 1668 CD LYS A 100 -1.830 0.877 -13.763 1.00 72.33 C ATOM 1669 CE LYS A 100 -1.615 -0.649 -13.759 1.00 74.12 C ATOM 1670 NZ LYS A 100 -2.875 -1.411 -14.008 1.00 31.04 N ATOM 0 H LYS A 100 2.471 1.840 -13.279 1.00 72.42 H new ATOM 0 HA LYS A 100 1.066 -0.496 -14.014 1.00 75.03 H new ATOM 0 HB2 LYS A 100 1.042 2.397 -14.975 1.00 14.04 H new ATOM 0 HB3 LYS A 100 -0.020 1.194 -15.679 1.00 14.04 H new ATOM 0 HG2 LYS A 100 -0.054 1.492 -12.673 1.00 62.15 H new ATOM 0 HG3 LYS A 100 -0.781 2.774 -13.621 1.00 62.15 H new ATOM 0 HD2 LYS A 100 -2.498 1.139 -12.942 1.00 72.33 H new ATOM 0 HD3 LYS A 100 -2.335 1.157 -14.687 1.00 72.33 H new ATOM 0 HE2 LYS A 100 -0.881 -0.910 -14.521 1.00 74.12 H new ATOM 0 HE3 LYS A 100 -1.197 -0.950 -12.798 1.00 74.12 H new ATOM 0 HZ1 LYS A 100 -2.968 -2.169 -13.302 1.00 31.04 H new ATOM 0 HZ2 LYS A 100 -3.689 -0.768 -13.935 1.00 31.04 H new ATOM 0 HZ3 LYS A 100 -2.846 -1.827 -14.961 1.00 31.04 H new ATOM 1684 N LYS A 101 3.293 0.543 -16.195 1.00 4.54 N ATOM 1685 CA LYS A 101 4.047 0.227 -17.427 1.00 54.33 C ATOM 1686 C LYS A 101 4.858 -1.071 -17.243 1.00 22.31 C ATOM 1687 O LYS A 101 5.000 -1.864 -18.182 1.00 73.43 O ATOM 1688 CB LYS A 101 4.965 1.429 -17.784 1.00 50.03 C ATOM 1689 CG LYS A 101 5.789 1.278 -19.072 1.00 71.00 C ATOM 1690 CD LYS A 101 6.524 2.580 -19.459 1.00 34.33 C ATOM 1691 CE LYS A 101 7.343 2.432 -20.749 1.00 40.22 C ATOM 1692 NZ LYS A 101 6.516 1.936 -21.885 1.00 61.22 N ATOM 0 H LYS A 101 3.660 1.353 -15.694 1.00 4.54 H new ATOM 0 HA LYS A 101 3.354 0.061 -18.252 1.00 54.33 H new ATOM 0 HB2 LYS A 101 4.346 2.322 -17.873 1.00 50.03 H new ATOM 0 HB3 LYS A 101 5.651 1.598 -16.954 1.00 50.03 H new ATOM 0 HG2 LYS A 101 6.518 0.478 -18.942 1.00 71.00 H new ATOM 0 HG3 LYS A 101 5.131 0.980 -19.888 1.00 71.00 H new ATOM 0 HD2 LYS A 101 5.795 3.381 -19.585 1.00 34.33 H new ATOM 0 HD3 LYS A 101 7.185 2.876 -18.645 1.00 34.33 H new ATOM 0 HE2 LYS A 101 7.780 3.395 -21.013 1.00 40.22 H new ATOM 0 HE3 LYS A 101 8.170 1.744 -20.576 1.00 40.22 H new ATOM 0 HZ1 LYS A 101 7.053 2.027 -22.771 1.00 61.22 H new ATOM 0 HZ2 LYS A 101 6.274 0.937 -21.728 1.00 61.22 H new ATOM 0 HZ3 LYS A 101 5.643 2.498 -21.950 1.00 61.22 H new ATOM 1706 N ASP A 102 5.370 -1.273 -16.013 1.00 52.22 N ATOM 1707 CA ASP A 102 6.046 -2.523 -15.601 1.00 54.31 C ATOM 1708 C ASP A 102 5.034 -3.692 -15.576 1.00 2.42 C ATOM 1709 O ASP A 102 5.339 -4.806 -16.006 1.00 12.15 O ATOM 1710 CB ASP A 102 6.694 -2.336 -14.201 1.00 22.44 C ATOM 1711 CG ASP A 102 7.415 -3.599 -13.681 1.00 74.21 C ATOM 1712 OD1 ASP A 102 8.601 -3.802 -14.017 1.00 10.02 O ATOM 1713 OD2 ASP A 102 6.792 -4.399 -12.949 1.00 63.23 O ATOM 0 H ASP A 102 5.327 -0.572 -15.273 1.00 52.22 H new ATOM 0 HA ASP A 102 6.829 -2.759 -16.321 1.00 54.31 H new ATOM 0 HB2 ASP A 102 7.407 -1.513 -14.247 1.00 22.44 H new ATOM 0 HB3 ASP A 102 5.922 -2.049 -13.488 1.00 22.44 H new ATOM 1718 N GLY A 103 3.839 -3.400 -15.045 1.00 42.31 N ATOM 1719 CA GLY A 103 2.726 -4.354 -14.961 1.00 14.32 C ATOM 1720 C GLY A 103 1.976 -4.231 -13.639 1.00 34.31 C ATOM 1721 O GLY A 103 0.826 -4.651 -13.525 1.00 12.34 O ATOM 0 H GLY A 103 3.616 -2.483 -14.657 1.00 42.31 H new ATOM 0 HA2 GLY A 103 2.037 -4.183 -15.788 1.00 14.32 H new ATOM 0 HA3 GLY A 103 3.108 -5.369 -15.070 1.00 14.32 H new ATOM 1725 N VAL A 104 2.651 -3.631 -12.652 1.00 53.04 N ATOM 1726 CA VAL A 104 2.152 -3.466 -11.273 1.00 53.35 C ATOM 1727 C VAL A 104 0.935 -2.537 -11.232 1.00 23.44 C ATOM 1728 O VAL A 104 0.950 -1.452 -11.821 1.00 21.22 O ATOM 1729 CB VAL A 104 3.284 -2.873 -10.364 1.00 33.35 C ATOM 1730 CG1 VAL A 104 2.822 -2.678 -8.895 1.00 53.03 C ATOM 1731 CG2 VAL A 104 4.537 -3.749 -10.458 1.00 15.43 C ATOM 0 H VAL A 104 3.581 -3.236 -12.788 1.00 53.04 H new ATOM 0 HA VAL A 104 1.854 -4.447 -10.904 1.00 53.35 H new ATOM 0 HB VAL A 104 3.527 -1.877 -10.733 1.00 33.35 H new ATOM 0 HG11 VAL A 104 3.642 -2.265 -8.307 1.00 53.03 H new ATOM 0 HG12 VAL A 104 1.975 -1.992 -8.868 1.00 53.03 H new ATOM 0 HG13 VAL A 104 2.524 -3.639 -8.477 1.00 53.03 H new ATOM 0 HG21 VAL A 104 5.320 -3.333 -9.825 1.00 15.43 H new ATOM 0 HG22 VAL A 104 4.300 -4.760 -10.125 1.00 15.43 H new ATOM 0 HG23 VAL A 104 4.883 -3.779 -11.491 1.00 15.43 H new ATOM 1741 N ASP A 105 -0.102 -2.965 -10.508 1.00 32.21 N ATOM 1742 CA ASP A 105 -1.349 -2.214 -10.388 1.00 62.02 C ATOM 1743 C ASP A 105 -1.257 -1.193 -9.246 1.00 53.44 C ATOM 1744 O ASP A 105 -1.507 -1.502 -8.090 1.00 51.13 O ATOM 1745 CB ASP A 105 -2.542 -3.181 -10.210 1.00 52.31 C ATOM 1746 CG ASP A 105 -2.779 -4.039 -11.465 1.00 45.01 C ATOM 1747 OD1 ASP A 105 -3.512 -3.598 -12.366 1.00 11.24 O ATOM 1748 OD2 ASP A 105 -2.223 -5.157 -11.556 1.00 20.22 O ATOM 0 H ASP A 105 -0.098 -3.843 -9.989 1.00 32.21 H new ATOM 0 HA ASP A 105 -1.517 -1.653 -11.307 1.00 62.02 H new ATOM 0 HB2 ASP A 105 -2.357 -3.832 -9.355 1.00 52.31 H new ATOM 0 HB3 ASP A 105 -3.442 -2.609 -9.986 1.00 52.31 H new ATOM 1753 N VAL A 106 -0.802 0.012 -9.593 1.00 44.43 N ATOM 1754 CA VAL A 106 -0.940 1.195 -8.738 1.00 10.21 C ATOM 1755 C VAL A 106 -2.240 1.902 -9.151 1.00 31.44 C ATOM 1756 O VAL A 106 -2.592 1.950 -10.342 1.00 3.14 O ATOM 1757 CB VAL A 106 0.298 2.167 -8.848 1.00 33.31 C ATOM 1758 CG1 VAL A 106 0.609 2.510 -10.306 1.00 1.51 C ATOM 1759 CG2 VAL A 106 0.123 3.448 -7.986 1.00 63.03 C ATOM 0 H VAL A 106 -0.326 0.197 -10.476 1.00 44.43 H new ATOM 0 HA VAL A 106 -0.977 0.889 -7.692 1.00 10.21 H new ATOM 0 HB VAL A 106 1.156 1.632 -8.442 1.00 33.31 H new ATOM 0 HG11 VAL A 106 1.467 3.181 -10.347 1.00 1.51 H new ATOM 0 HG12 VAL A 106 0.837 1.596 -10.854 1.00 1.51 H new ATOM 0 HG13 VAL A 106 -0.255 2.998 -10.757 1.00 1.51 H new ATOM 0 HG21 VAL A 106 1.002 4.084 -8.096 1.00 63.03 H new ATOM 0 HG22 VAL A 106 -0.762 3.991 -8.317 1.00 63.03 H new ATOM 0 HG23 VAL A 106 0.006 3.169 -6.939 1.00 63.03 H new ATOM 1769 N ARG A 107 -2.969 2.399 -8.154 1.00 1.31 N ATOM 1770 CA ARG A 107 -4.278 3.008 -8.339 1.00 51.33 C ATOM 1771 C ARG A 107 -4.376 4.295 -7.511 1.00 65.35 C ATOM 1772 O ARG A 107 -3.879 4.361 -6.378 1.00 62.52 O ATOM 1773 CB ARG A 107 -5.385 1.991 -7.970 1.00 14.51 C ATOM 1774 CG ARG A 107 -5.302 1.425 -6.539 1.00 22.31 C ATOM 1775 CD ARG A 107 -6.418 0.414 -6.233 1.00 10.20 C ATOM 1776 NE ARG A 107 -7.755 1.012 -6.386 1.00 15.53 N ATOM 1777 CZ ARG A 107 -8.899 0.328 -6.544 1.00 0.02 C ATOM 1778 NH1 ARG A 107 -8.911 -1.002 -6.555 1.00 71.22 N ATOM 1779 NH2 ARG A 107 -10.037 0.983 -6.709 1.00 63.45 N ATOM 0 H ARG A 107 -2.660 2.388 -7.182 1.00 1.31 H new ATOM 0 HA ARG A 107 -4.417 3.281 -9.385 1.00 51.33 H new ATOM 0 HB2 ARG A 107 -6.355 2.471 -8.099 1.00 14.51 H new ATOM 0 HB3 ARG A 107 -5.344 1.161 -8.675 1.00 14.51 H new ATOM 0 HG2 ARG A 107 -4.334 0.944 -6.399 1.00 22.31 H new ATOM 0 HG3 ARG A 107 -5.356 2.246 -5.825 1.00 22.31 H new ATOM 0 HD2 ARG A 107 -6.325 -0.443 -6.900 1.00 10.20 H new ATOM 0 HD3 ARG A 107 -6.301 0.041 -5.216 1.00 10.20 H new ATOM 0 HE ARG A 107 -7.817 2.030 -6.371 1.00 15.53 H new ATOM 0 HH11 ARG A 107 -8.040 -1.521 -6.442 1.00 71.22 H new ATOM 0 HH12 ARG A 107 -9.791 -1.503 -6.676 1.00 71.22 H new ATOM 0 HH21 ARG A 107 -10.042 2.003 -6.716 1.00 63.45 H new ATOM 0 HH22 ARG A 107 -10.909 0.468 -6.830 1.00 63.45 H new ATOM 1793 N VAL A 108 -4.995 5.320 -8.111 1.00 55.50 N ATOM 1794 CA VAL A 108 -5.277 6.600 -7.446 1.00 15.01 C ATOM 1795 C VAL A 108 -6.794 6.826 -7.452 1.00 53.00 C ATOM 1796 O VAL A 108 -7.452 6.687 -8.490 1.00 72.32 O ATOM 1797 CB VAL A 108 -4.524 7.832 -8.100 1.00 62.45 C ATOM 1798 CG1 VAL A 108 -3.004 7.677 -7.991 1.00 61.32 C ATOM 1799 CG2 VAL A 108 -4.917 8.073 -9.569 1.00 30.41 C ATOM 0 H VAL A 108 -5.317 5.285 -9.078 1.00 55.50 H new ATOM 0 HA VAL A 108 -4.899 6.537 -6.426 1.00 15.01 H new ATOM 0 HB VAL A 108 -4.841 8.706 -7.531 1.00 62.45 H new ATOM 0 HG11 VAL A 108 -2.517 8.538 -8.449 1.00 61.32 H new ATOM 0 HG12 VAL A 108 -2.719 7.615 -6.941 1.00 61.32 H new ATOM 0 HG13 VAL A 108 -2.693 6.768 -8.506 1.00 61.32 H new ATOM 0 HG21 VAL A 108 -4.366 8.930 -9.957 1.00 30.41 H new ATOM 0 HG22 VAL A 108 -4.676 7.189 -10.160 1.00 30.41 H new ATOM 0 HG23 VAL A 108 -5.987 8.271 -9.632 1.00 30.41 H new ATOM 1809 N THR A 109 -7.352 7.057 -6.262 1.00 53.42 N ATOM 1810 CA THR A 109 -8.767 7.397 -6.085 1.00 74.34 C ATOM 1811 C THR A 109 -8.965 8.908 -6.233 1.00 51.44 C ATOM 1812 O THR A 109 -10.088 9.373 -6.428 1.00 41.32 O ATOM 1813 CB THR A 109 -9.252 6.935 -4.679 1.00 10.14 C ATOM 1814 OG1 THR A 109 -8.392 7.497 -3.670 1.00 15.04 O ATOM 1815 CG2 THR A 109 -9.260 5.399 -4.551 1.00 3.50 C ATOM 0 H THR A 109 -6.831 7.013 -5.386 1.00 53.42 H new ATOM 0 HA THR A 109 -9.352 6.886 -6.850 1.00 74.34 H new ATOM 0 HB THR A 109 -10.275 7.286 -4.544 1.00 10.14 H new ATOM 0 HG1 THR A 109 -8.914 8.087 -3.087 1.00 15.04 H new ATOM 0 HG21 THR A 109 -9.604 5.119 -3.556 1.00 3.50 H new ATOM 0 HG22 THR A 109 -9.929 4.975 -5.299 1.00 3.50 H new ATOM 0 HG23 THR A 109 -8.252 5.016 -4.707 1.00 3.50 H new ATOM 1823 N ASP A 110 -7.841 9.653 -6.080 1.00 3.12 N ATOM 1824 CA ASP A 110 -7.776 11.135 -6.151 1.00 32.23 C ATOM 1825 C ASP A 110 -8.593 11.811 -5.027 1.00 3.34 C ATOM 1826 O ASP A 110 -8.750 13.035 -5.014 1.00 33.50 O ATOM 1827 CB ASP A 110 -8.180 11.686 -7.555 1.00 11.51 C ATOM 1828 CG ASP A 110 -7.228 11.230 -8.680 1.00 4.10 C ATOM 1829 OD1 ASP A 110 -6.188 11.880 -8.901 1.00 23.54 O ATOM 1830 OD2 ASP A 110 -7.516 10.209 -9.341 1.00 53.32 O ATOM 0 H ASP A 110 -6.931 9.229 -5.899 1.00 3.12 H new ATOM 0 HA ASP A 110 -6.729 11.396 -5.995 1.00 32.23 H new ATOM 0 HB2 ASP A 110 -9.193 11.359 -7.789 1.00 11.51 H new ATOM 0 HB3 ASP A 110 -8.197 12.775 -7.520 1.00 11.51 H new ATOM 1835 N ASN A 111 -9.044 11.009 -4.054 1.00 52.24 N ATOM 1836 CA ASN A 111 -9.922 11.457 -2.972 1.00 53.22 C ATOM 1837 C ASN A 111 -9.742 10.529 -1.762 1.00 55.23 C ATOM 1838 O ASN A 111 -9.796 9.299 -1.897 1.00 10.34 O ATOM 1839 CB ASN A 111 -11.394 11.466 -3.454 1.00 53.14 C ATOM 1840 CG ASN A 111 -12.394 11.919 -2.384 1.00 3.24 C ATOM 1841 OD1 ASN A 111 -12.951 11.110 -1.655 1.00 32.24 O ATOM 1842 ND2 ASN A 111 -12.631 13.213 -2.286 1.00 32.41 N ATOM 0 H ASN A 111 -8.805 10.019 -3.998 1.00 52.24 H new ATOM 0 HA ASN A 111 -9.660 12.473 -2.677 1.00 53.22 H new ATOM 0 HB2 ASN A 111 -11.479 12.124 -4.319 1.00 53.14 H new ATOM 0 HB3 ASN A 111 -11.663 10.464 -3.788 1.00 53.14 H new ATOM 0 HD21 ASN A 111 -13.292 13.559 -1.590 1.00 32.41 H new ATOM 0 HD22 ASN A 111 -12.153 13.867 -2.906 1.00 32.41 H new ATOM 1849 N GLU A 112 -9.507 11.153 -0.603 1.00 30.42 N ATOM 1850 CA GLU A 112 -9.284 10.480 0.697 1.00 5.54 C ATOM 1851 C GLU A 112 -10.458 9.552 1.102 1.00 65.14 C ATOM 1852 O GLU A 112 -10.235 8.440 1.587 1.00 53.01 O ATOM 1853 CB GLU A 112 -9.035 11.561 1.792 1.00 23.45 C ATOM 1854 CG GLU A 112 -10.075 12.706 1.805 1.00 42.54 C ATOM 1855 CD GLU A 112 -9.801 13.777 2.871 1.00 14.21 C ATOM 1856 OE1 GLU A 112 -8.911 14.627 2.657 1.00 32.32 O ATOM 1857 OE2 GLU A 112 -10.463 13.757 3.931 1.00 71.12 O ATOM 0 H GLU A 112 -9.464 12.170 -0.533 1.00 30.42 H new ATOM 0 HA GLU A 112 -8.409 9.838 0.597 1.00 5.54 H new ATOM 0 HB2 GLU A 112 -9.032 11.078 2.769 1.00 23.45 H new ATOM 0 HB3 GLU A 112 -8.043 11.989 1.645 1.00 23.45 H new ATOM 0 HG2 GLU A 112 -10.093 13.179 0.823 1.00 42.54 H new ATOM 0 HG3 GLU A 112 -11.065 12.283 1.974 1.00 42.54 H new ATOM 1864 N ASP A 113 -11.695 10.025 0.875 1.00 14.11 N ATOM 1865 CA ASP A 113 -12.932 9.303 1.248 1.00 61.03 C ATOM 1866 C ASP A 113 -13.216 8.131 0.286 1.00 21.23 C ATOM 1867 O ASP A 113 -13.776 7.100 0.695 1.00 65.44 O ATOM 1868 CB ASP A 113 -14.121 10.297 1.291 1.00 61.04 C ATOM 1869 CG ASP A 113 -15.467 9.648 1.669 1.00 62.53 C ATOM 1870 OD1 ASP A 113 -15.603 9.173 2.815 1.00 53.52 O ATOM 1871 OD2 ASP A 113 -16.373 9.588 0.806 1.00 21.45 O ATOM 0 H ASP A 113 -11.870 10.924 0.425 1.00 14.11 H new ATOM 0 HA ASP A 113 -12.797 8.871 2.240 1.00 61.03 H new ATOM 0 HB2 ASP A 113 -13.896 11.086 2.008 1.00 61.04 H new ATOM 0 HB3 ASP A 113 -14.220 10.772 0.315 1.00 61.04 H new ATOM 1876 N GLU A 114 -12.824 8.295 -0.991 1.00 22.02 N ATOM 1877 CA GLU A 114 -12.949 7.239 -2.014 1.00 73.14 C ATOM 1878 C GLU A 114 -11.915 6.132 -1.792 1.00 40.32 C ATOM 1879 O GLU A 114 -12.167 4.973 -2.136 1.00 61.03 O ATOM 1880 CB GLU A 114 -12.838 7.816 -3.449 1.00 43.12 C ATOM 1881 CG GLU A 114 -14.041 8.681 -3.880 1.00 41.04 C ATOM 1882 CD GLU A 114 -13.999 9.080 -5.365 1.00 2.11 C ATOM 1883 OE1 GLU A 114 -14.188 8.191 -6.228 1.00 12.54 O ATOM 1884 OE2 GLU A 114 -13.792 10.274 -5.674 1.00 55.15 O ATOM 0 H GLU A 114 -12.413 9.160 -1.342 1.00 22.02 H new ATOM 0 HA GLU A 114 -13.943 6.803 -1.910 1.00 73.14 H new ATOM 0 HB2 GLU A 114 -11.931 8.416 -3.518 1.00 43.12 H new ATOM 0 HB3 GLU A 114 -12.728 6.991 -4.152 1.00 43.12 H new ATOM 0 HG2 GLU A 114 -14.963 8.134 -3.683 1.00 41.04 H new ATOM 0 HG3 GLU A 114 -14.069 9.583 -3.269 1.00 41.04 H new ATOM 1891 N ALA A 115 -10.758 6.501 -1.218 1.00 31.55 N ATOM 1892 CA ALA A 115 -9.738 5.528 -0.801 1.00 61.34 C ATOM 1893 C ALA A 115 -10.246 4.752 0.414 1.00 13.14 C ATOM 1894 O ALA A 115 -10.217 3.531 0.425 1.00 23.32 O ATOM 1895 CB ALA A 115 -8.411 6.233 -0.496 1.00 75.52 C ATOM 0 H ALA A 115 -10.506 7.472 -1.032 1.00 31.55 H new ATOM 0 HA ALA A 115 -9.554 4.825 -1.614 1.00 61.34 H new ATOM 0 HB1 ALA A 115 -7.669 5.496 -0.189 1.00 75.52 H new ATOM 0 HB2 ALA A 115 -8.060 6.751 -1.389 1.00 75.52 H new ATOM 0 HB3 ALA A 115 -8.559 6.955 0.307 1.00 75.52 H new ATOM 1901 N LYS A 116 -10.770 5.509 1.396 1.00 41.12 N ATOM 1902 CA LYS A 116 -11.308 5.005 2.675 1.00 13.01 C ATOM 1903 C LYS A 116 -12.340 3.880 2.472 1.00 71.45 C ATOM 1904 O LYS A 116 -12.186 2.779 3.018 1.00 2.54 O ATOM 1905 CB LYS A 116 -11.950 6.216 3.403 1.00 23.21 C ATOM 1906 CG LYS A 116 -12.910 5.894 4.568 1.00 12.45 C ATOM 1907 CD LYS A 116 -13.641 7.155 5.070 1.00 64.31 C ATOM 1908 CE LYS A 116 -12.694 8.189 5.679 1.00 74.14 C ATOM 1909 NZ LYS A 116 -13.407 9.423 6.106 1.00 10.53 N ATOM 0 H LYS A 116 -10.833 6.524 1.319 1.00 41.12 H new ATOM 0 HA LYS A 116 -10.504 4.568 3.267 1.00 13.01 H new ATOM 0 HB2 LYS A 116 -11.148 6.847 3.787 1.00 23.21 H new ATOM 0 HB3 LYS A 116 -12.495 6.806 2.666 1.00 23.21 H new ATOM 0 HG2 LYS A 116 -13.642 5.155 4.243 1.00 12.45 H new ATOM 0 HG3 LYS A 116 -12.349 5.448 5.389 1.00 12.45 H new ATOM 0 HD2 LYS A 116 -14.182 7.610 4.240 1.00 64.31 H new ATOM 0 HD3 LYS A 116 -14.383 6.866 5.814 1.00 64.31 H new ATOM 0 HE2 LYS A 116 -12.184 7.751 6.537 1.00 74.14 H new ATOM 0 HE3 LYS A 116 -11.926 8.449 4.951 1.00 74.14 H new ATOM 0 HZ1 LYS A 116 -12.714 10.173 6.305 1.00 10.53 H new ATOM 0 HZ2 LYS A 116 -14.046 9.735 5.347 1.00 10.53 H new ATOM 0 HZ3 LYS A 116 -13.959 9.225 6.965 1.00 10.53 H new ATOM 1923 N LYS A 117 -13.371 4.168 1.655 1.00 71.43 N ATOM 1924 CA LYS A 117 -14.480 3.228 1.411 1.00 24.30 C ATOM 1925 C LYS A 117 -13.975 1.977 0.660 1.00 54.11 C ATOM 1926 O LYS A 117 -14.390 0.856 0.962 1.00 23.12 O ATOM 1927 CB LYS A 117 -15.626 3.931 0.622 1.00 51.32 C ATOM 1928 CG LYS A 117 -15.290 4.307 -0.846 1.00 53.22 C ATOM 1929 CD LYS A 117 -16.462 4.990 -1.611 1.00 41.23 C ATOM 1930 CE LYS A 117 -16.583 6.509 -1.353 1.00 30.41 C ATOM 1931 NZ LYS A 117 -16.896 6.862 0.056 1.00 34.42 N ATOM 0 H LYS A 117 -13.458 5.050 1.150 1.00 71.43 H new ATOM 0 HA LYS A 117 -14.880 2.904 2.372 1.00 24.30 H new ATOM 0 HB2 LYS A 117 -16.498 3.277 0.621 1.00 51.32 H new ATOM 0 HB3 LYS A 117 -15.908 4.838 1.156 1.00 51.32 H new ATOM 0 HG2 LYS A 117 -14.429 4.975 -0.851 1.00 53.22 H new ATOM 0 HG3 LYS A 117 -14.997 3.405 -1.383 1.00 53.22 H new ATOM 0 HD2 LYS A 117 -16.330 4.823 -2.680 1.00 41.23 H new ATOM 0 HD3 LYS A 117 -17.397 4.508 -1.326 1.00 41.23 H new ATOM 0 HE2 LYS A 117 -15.648 6.991 -1.638 1.00 30.41 H new ATOM 0 HE3 LYS A 117 -17.361 6.916 -2.000 1.00 30.41 H new ATOM 0 HZ1 LYS A 117 -17.305 7.818 0.092 1.00 34.42 H new ATOM 0 HZ2 LYS A 117 -17.579 6.179 0.442 1.00 34.42 H new ATOM 0 HZ3 LYS A 117 -16.024 6.837 0.622 1.00 34.42 H new ATOM 1945 N ARG A 118 -13.027 2.200 -0.279 1.00 64.34 N ATOM 1946 CA ARG A 118 -12.504 1.153 -1.173 1.00 75.20 C ATOM 1947 C ARG A 118 -11.518 0.234 -0.425 1.00 71.33 C ATOM 1948 O ARG A 118 -11.355 -0.936 -0.792 1.00 64.32 O ATOM 1949 CB ARG A 118 -11.811 1.777 -2.426 1.00 64.34 C ATOM 1950 CG ARG A 118 -11.679 0.810 -3.643 1.00 13.44 C ATOM 1951 CD ARG A 118 -12.892 0.848 -4.602 1.00 32.32 C ATOM 1952 NE ARG A 118 -14.209 0.676 -3.927 1.00 13.33 N ATOM 1953 CZ ARG A 118 -15.153 -0.235 -4.254 1.00 54.32 C ATOM 1954 NH1 ARG A 118 -14.956 -1.103 -5.227 1.00 14.14 N ATOM 1955 NH2 ARG A 118 -16.310 -0.255 -3.614 1.00 44.23 N ATOM 0 H ARG A 118 -12.605 3.115 -0.435 1.00 64.34 H new ATOM 0 HA ARG A 118 -13.351 0.555 -1.510 1.00 75.20 H new ATOM 0 HB2 ARG A 118 -12.375 2.656 -2.737 1.00 64.34 H new ATOM 0 HB3 ARG A 118 -10.816 2.120 -2.142 1.00 64.34 H new ATOM 0 HG2 ARG A 118 -10.778 1.064 -4.201 1.00 13.44 H new ATOM 0 HG3 ARG A 118 -11.550 -0.208 -3.275 1.00 13.44 H new ATOM 0 HD2 ARG A 118 -12.891 1.799 -5.134 1.00 32.32 H new ATOM 0 HD3 ARG A 118 -12.774 0.064 -5.350 1.00 32.32 H new ATOM 0 HE ARG A 118 -14.417 1.301 -3.149 1.00 13.33 H new ATOM 0 HH11 ARG A 118 -14.079 -1.095 -5.748 1.00 14.14 H new ATOM 0 HH12 ARG A 118 -15.681 -1.783 -5.459 1.00 14.14 H new ATOM 0 HH21 ARG A 118 -16.493 0.419 -2.870 1.00 44.23 H new ATOM 0 HH22 ARG A 118 -17.019 -0.944 -3.864 1.00 44.23 H new ATOM 1969 N LEU A 119 -10.860 0.790 0.616 1.00 62.11 N ATOM 1970 CA LEU A 119 -9.884 0.055 1.442 1.00 3.11 C ATOM 1971 C LEU A 119 -10.542 -1.153 2.098 1.00 61.11 C ATOM 1972 O LEU A 119 -10.052 -2.268 1.955 1.00 75.12 O ATOM 1973 CB LEU A 119 -9.231 0.965 2.533 1.00 44.40 C ATOM 1974 CG LEU A 119 -8.076 1.896 2.047 1.00 72.11 C ATOM 1975 CD1 LEU A 119 -7.508 2.723 3.217 1.00 10.01 C ATOM 1976 CD2 LEU A 119 -6.966 1.087 1.340 1.00 73.01 C ATOM 0 H LEU A 119 -10.992 1.759 0.905 1.00 62.11 H new ATOM 0 HA LEU A 119 -9.091 -0.283 0.775 1.00 3.11 H new ATOM 0 HB2 LEU A 119 -10.011 1.586 2.973 1.00 44.40 H new ATOM 0 HB3 LEU A 119 -8.846 0.326 3.328 1.00 44.40 H new ATOM 0 HG LEU A 119 -8.490 2.591 1.317 1.00 72.11 H new ATOM 0 HD11 LEU A 119 -6.705 3.364 2.853 1.00 10.01 H new ATOM 0 HD12 LEU A 119 -8.299 3.340 3.644 1.00 10.01 H new ATOM 0 HD13 LEU A 119 -7.118 2.051 3.982 1.00 10.01 H new ATOM 0 HD21 LEU A 119 -6.176 1.763 1.013 1.00 73.01 H new ATOM 0 HD22 LEU A 119 -6.553 0.354 2.033 1.00 73.01 H new ATOM 0 HD23 LEU A 119 -7.385 0.573 0.475 1.00 73.01 H new ATOM 1988 N LYS A 120 -11.675 -0.911 2.784 1.00 11.41 N ATOM 1989 CA LYS A 120 -12.432 -1.970 3.470 1.00 51.32 C ATOM 1990 C LYS A 120 -12.907 -3.038 2.467 1.00 11.53 C ATOM 1991 O LYS A 120 -12.825 -4.233 2.749 1.00 15.21 O ATOM 1992 CB LYS A 120 -13.640 -1.383 4.247 1.00 12.43 C ATOM 1993 CG LYS A 120 -14.479 -2.460 4.974 1.00 32.21 C ATOM 1994 CD LYS A 120 -15.669 -1.896 5.770 1.00 43.34 C ATOM 1995 CE LYS A 120 -16.464 -3.011 6.475 1.00 75.35 C ATOM 1996 NZ LYS A 120 -15.617 -3.818 7.405 1.00 34.45 N ATOM 0 H LYS A 120 -12.087 0.017 2.877 1.00 11.41 H new ATOM 0 HA LYS A 120 -11.764 -2.442 4.190 1.00 51.32 H new ATOM 0 HB2 LYS A 120 -13.277 -0.660 4.978 1.00 12.43 H new ATOM 0 HB3 LYS A 120 -14.281 -0.840 3.553 1.00 12.43 H new ATOM 0 HG2 LYS A 120 -14.852 -3.172 4.238 1.00 32.21 H new ATOM 0 HG3 LYS A 120 -13.831 -3.013 5.653 1.00 32.21 H new ATOM 0 HD2 LYS A 120 -15.306 -1.184 6.511 1.00 43.34 H new ATOM 0 HD3 LYS A 120 -16.329 -1.348 5.098 1.00 43.34 H new ATOM 0 HE2 LYS A 120 -17.289 -2.568 7.033 1.00 75.35 H new ATOM 0 HE3 LYS A 120 -16.903 -3.669 5.725 1.00 75.35 H new ATOM 0 HZ1 LYS A 120 -16.195 -4.565 7.841 1.00 34.45 H new ATOM 0 HZ2 LYS A 120 -14.834 -4.251 6.874 1.00 34.45 H new ATOM 0 HZ3 LYS A 120 -15.232 -3.200 8.148 1.00 34.45 H new ATOM 2010 N GLU A 121 -13.367 -2.582 1.287 1.00 74.51 N ATOM 2011 CA GLU A 121 -13.842 -3.464 0.196 1.00 71.55 C ATOM 2012 C GLU A 121 -12.768 -4.492 -0.191 1.00 61.31 C ATOM 2013 O GLU A 121 -13.002 -5.705 -0.145 1.00 63.42 O ATOM 2014 CB GLU A 121 -14.211 -2.608 -1.044 1.00 3.32 C ATOM 2015 CG GLU A 121 -15.318 -1.575 -0.802 1.00 30.24 C ATOM 2016 CD GLU A 121 -16.710 -2.192 -0.631 1.00 23.44 C ATOM 2017 OE1 GLU A 121 -17.384 -2.444 -1.652 1.00 55.34 O ATOM 2018 OE2 GLU A 121 -17.127 -2.450 0.516 1.00 24.14 O ATOM 0 H GLU A 121 -13.421 -1.589 1.059 1.00 74.51 H new ATOM 0 HA GLU A 121 -14.722 -4.002 0.550 1.00 71.55 H new ATOM 0 HB2 GLU A 121 -13.317 -2.089 -1.389 1.00 3.32 H new ATOM 0 HB3 GLU A 121 -14.523 -3.274 -1.848 1.00 3.32 H new ATOM 0 HG2 GLU A 121 -15.075 -0.997 0.089 1.00 30.24 H new ATOM 0 HG3 GLU A 121 -15.340 -0.877 -1.639 1.00 30.24 H new ATOM 2025 N LEU A 122 -11.577 -3.976 -0.505 1.00 14.35 N ATOM 2026 CA LEU A 122 -10.452 -4.783 -0.992 1.00 52.50 C ATOM 2027 C LEU A 122 -9.861 -5.627 0.152 1.00 1.33 C ATOM 2028 O LEU A 122 -9.423 -6.744 -0.077 1.00 22.32 O ATOM 2029 CB LEU A 122 -9.378 -3.849 -1.620 1.00 4.03 C ATOM 2030 CG LEU A 122 -9.861 -2.980 -2.832 1.00 41.24 C ATOM 2031 CD1 LEU A 122 -8.734 -2.052 -3.347 1.00 21.12 C ATOM 2032 CD2 LEU A 122 -10.443 -3.860 -3.971 1.00 22.43 C ATOM 0 H LEU A 122 -11.363 -2.982 -0.429 1.00 14.35 H new ATOM 0 HA LEU A 122 -10.804 -5.472 -1.760 1.00 52.50 H new ATOM 0 HB2 LEU A 122 -9.004 -3.181 -0.844 1.00 4.03 H new ATOM 0 HB3 LEU A 122 -8.537 -4.460 -1.947 1.00 4.03 H new ATOM 0 HG LEU A 122 -10.669 -2.342 -2.474 1.00 41.24 H new ATOM 0 HD11 LEU A 122 -9.103 -1.464 -4.187 1.00 21.12 H new ATOM 0 HD12 LEU A 122 -8.419 -1.383 -2.546 1.00 21.12 H new ATOM 0 HD13 LEU A 122 -7.886 -2.655 -3.671 1.00 21.12 H new ATOM 0 HD21 LEU A 122 -10.767 -3.223 -4.794 1.00 22.43 H new ATOM 0 HD22 LEU A 122 -9.677 -4.549 -4.326 1.00 22.43 H new ATOM 0 HD23 LEU A 122 -11.294 -4.427 -3.594 1.00 22.43 H new ATOM 2044 N LEU A 123 -9.928 -5.084 1.377 1.00 12.12 N ATOM 2045 CA LEU A 123 -9.333 -5.690 2.586 1.00 10.14 C ATOM 2046 C LEU A 123 -10.067 -6.978 2.993 1.00 50.33 C ATOM 2047 O LEU A 123 -9.431 -7.988 3.335 1.00 73.24 O ATOM 2048 CB LEU A 123 -9.392 -4.682 3.760 1.00 30.03 C ATOM 2049 CG LEU A 123 -8.653 -5.110 5.057 1.00 14.53 C ATOM 2050 CD1 LEU A 123 -7.121 -5.072 4.866 1.00 4.25 C ATOM 2051 CD2 LEU A 123 -9.118 -4.255 6.251 1.00 4.25 C ATOM 0 H LEU A 123 -10.402 -4.200 1.562 1.00 12.12 H new ATOM 0 HA LEU A 123 -8.298 -5.942 2.355 1.00 10.14 H new ATOM 0 HB2 LEU A 123 -8.973 -3.734 3.422 1.00 30.03 H new ATOM 0 HB3 LEU A 123 -10.438 -4.499 4.004 1.00 30.03 H new ATOM 0 HG LEU A 123 -8.912 -6.145 5.279 1.00 14.53 H new ATOM 0 HD11 LEU A 123 -6.631 -5.377 5.791 1.00 4.25 H new ATOM 0 HD12 LEU A 123 -6.837 -5.753 4.064 1.00 4.25 H new ATOM 0 HD13 LEU A 123 -6.811 -4.059 4.608 1.00 4.25 H new ATOM 0 HD21 LEU A 123 -8.590 -4.569 7.151 1.00 4.25 H new ATOM 0 HD22 LEU A 123 -8.904 -3.205 6.052 1.00 4.25 H new ATOM 0 HD23 LEU A 123 -10.190 -4.385 6.396 1.00 4.25 H new ATOM 2063 N GLU A 124 -11.420 -6.915 2.966 1.00 23.35 N ATOM 2064 CA GLU A 124 -12.291 -8.049 3.338 1.00 60.04 C ATOM 2065 C GLU A 124 -12.028 -9.277 2.451 1.00 12.12 C ATOM 2066 O GLU A 124 -12.239 -10.415 2.879 1.00 43.54 O ATOM 2067 CB GLU A 124 -13.789 -7.650 3.293 1.00 61.32 C ATOM 2068 CG GLU A 124 -14.191 -6.596 4.347 1.00 1.35 C ATOM 2069 CD GLU A 124 -15.699 -6.297 4.362 1.00 0.20 C ATOM 2070 OE1 GLU A 124 -16.187 -5.630 3.425 1.00 42.53 O ATOM 2071 OE2 GLU A 124 -16.404 -6.739 5.304 1.00 5.24 O ATOM 0 H GLU A 124 -11.934 -6.079 2.687 1.00 23.35 H new ATOM 0 HA GLU A 124 -12.045 -8.320 4.365 1.00 60.04 H new ATOM 0 HB2 GLU A 124 -14.022 -7.263 2.301 1.00 61.32 H new ATOM 0 HB3 GLU A 124 -14.397 -8.543 3.438 1.00 61.32 H new ATOM 0 HG2 GLU A 124 -13.887 -6.945 5.334 1.00 1.35 H new ATOM 0 HG3 GLU A 124 -13.646 -5.672 4.153 1.00 1.35 H new ATOM 2078 N LYS A 125 -11.573 -9.019 1.212 1.00 52.32 N ATOM 2079 CA LYS A 125 -11.056 -10.057 0.316 1.00 24.25 C ATOM 2080 C LYS A 125 -9.534 -10.175 0.517 1.00 71.42 C ATOM 2081 O LYS A 125 -9.090 -10.927 1.385 1.00 62.44 O ATOM 2082 CB LYS A 125 -11.434 -9.735 -1.157 1.00 23.22 C ATOM 2083 CG LYS A 125 -12.946 -9.810 -1.449 1.00 52.42 C ATOM 2084 CD LYS A 125 -13.307 -9.280 -2.854 1.00 60.43 C ATOM 2085 CE LYS A 125 -13.165 -7.750 -2.979 1.00 72.31 C ATOM 2086 NZ LYS A 125 -14.148 -7.034 -2.133 1.00 65.32 N ATOM 0 H LYS A 125 -11.555 -8.083 0.808 1.00 52.32 H new ATOM 0 HA LYS A 125 -11.507 -11.021 0.552 1.00 24.25 H new ATOM 0 HB2 LYS A 125 -11.077 -8.735 -1.402 1.00 23.22 H new ATOM 0 HB3 LYS A 125 -10.913 -10.430 -1.815 1.00 23.22 H new ATOM 0 HG2 LYS A 125 -13.279 -10.844 -1.358 1.00 52.42 H new ATOM 0 HG3 LYS A 125 -13.486 -9.234 -0.698 1.00 52.42 H new ATOM 0 HD2 LYS A 125 -12.665 -9.760 -3.593 1.00 60.43 H new ATOM 0 HD3 LYS A 125 -14.332 -9.564 -3.090 1.00 60.43 H new ATOM 0 HE2 LYS A 125 -12.156 -7.454 -2.693 1.00 72.31 H new ATOM 0 HE3 LYS A 125 -13.300 -7.457 -4.020 1.00 72.31 H new ATOM 0 HZ1 LYS A 125 -14.775 -6.464 -2.736 1.00 65.32 H new ATOM 0 HZ2 LYS A 125 -14.714 -7.724 -1.599 1.00 65.32 H new ATOM 0 HZ3 LYS A 125 -13.646 -6.410 -1.469 1.00 65.32 H new ATOM 2100 N VAL A 126 -8.748 -9.378 -0.243 1.00 20.14 N ATOM 2101 CA VAL A 126 -7.261 -9.413 -0.228 1.00 52.13 C ATOM 2102 C VAL A 126 -6.674 -8.052 -0.699 1.00 72.01 C ATOM 2103 O VAL A 126 -5.816 -7.459 -0.023 1.00 15.30 O ATOM 2104 CB VAL A 126 -6.678 -10.597 -1.120 1.00 65.14 C ATOM 2105 CG1 VAL A 126 -6.704 -11.967 -0.388 1.00 72.01 C ATOM 2106 CG2 VAL A 126 -7.404 -10.679 -2.499 1.00 13.25 C ATOM 0 H VAL A 126 -9.127 -8.686 -0.890 1.00 20.14 H new ATOM 0 HA VAL A 126 -6.958 -9.596 0.803 1.00 52.13 H new ATOM 0 HB VAL A 126 -5.630 -10.361 -1.302 1.00 65.14 H new ATOM 0 HG11 VAL A 126 -6.295 -12.737 -1.042 1.00 72.01 H new ATOM 0 HG12 VAL A 126 -6.104 -11.906 0.520 1.00 72.01 H new ATOM 0 HG13 VAL A 126 -7.731 -12.221 -0.127 1.00 72.01 H new ATOM 0 HG21 VAL A 126 -6.983 -11.497 -3.084 1.00 13.25 H new ATOM 0 HG22 VAL A 126 -8.468 -10.856 -2.340 1.00 13.25 H new ATOM 0 HG23 VAL A 126 -7.269 -9.741 -3.038 1.00 13.25 H new ATOM 2116 N GLY A 127 -7.157 -7.562 -1.852 1.00 2.12 N ATOM 2117 CA GLY A 127 -6.639 -6.346 -2.479 1.00 0.53 C ATOM 2118 C GLY A 127 -6.522 -6.510 -3.993 1.00 2.13 C ATOM 2119 O GLY A 127 -5.661 -7.261 -4.461 1.00 74.34 O ATOM 0 H GLY A 127 -7.917 -8.001 -2.372 1.00 2.12 H new ATOM 0 HA2 GLY A 127 -7.298 -5.508 -2.252 1.00 0.53 H new ATOM 0 HA3 GLY A 127 -5.662 -6.106 -2.060 1.00 0.53 H new