USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 714 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 49 HIS : no HD1:sc= -0.356 K(o=1,f=0.35) USER MOD Set 1.2: A 68 ASN : amide:sc= 0.25 K(o=1,f=-4.6!) USER MOD Set 1.3: A 70 THR OG1 : rot 84:sc= 1.11 USER MOD Set 2.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 65 ASN : amide:sc= 1.14 K(o=1.1,f=-5.9!) USER MOD Set 3.1: A 10 THR OG1 : rot 135:sc= 1.72 USER MOD Set 3.2: A 22 GLN : amide:sc= 0.809 K(o=3.4,f=2) USER MOD Set 3.3: A 100 HIS : no HE2:sc= 0.847 K(o=3.4,f=0.25) USER MOD Single : A 7 THR OG1 : rot 26:sc= 0.118 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0.937 K(o=0.94,f=-4.9!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0.921 K(o=0.92,f=-0.2) USER MOD Single : A 34 GLN : amide:sc=-0.00185 K(o=-0.0018,f=-0.83) USER MOD Single : A 37 GLN : amide:sc= -0.102 K(o=-0.1,f=-0.67) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -170:sc= -1.08 USER MOD Single : A 73 ASN : amide:sc= 1.44 K(o=1.4,f=-9!) USER MOD Single : A 74 ASN : amide:sc= -0.221 K(o=-0.22,f=-0.78) USER MOD Single : A 78 GLN : amide:sc= 0.971 K(o=0.97,f=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 HIS : no HE2:sc= 0.907 K(o=0.91,f=-2.9!) USER MOD Single : A 93 SER OG : rot -130:sc= 0 USER MOD Single : A 99 MET CE :methyl 159:sc= -0.191 (180deg=-0.729) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 7 -5.908 -9.126 2.168 1.00 60.32 N ATOM 63 CA THR A 7 -5.046 -8.107 2.684 1.00 54.13 C ATOM 64 C THR A 7 -5.317 -6.810 1.936 1.00 30.33 C ATOM 65 O THR A 7 -5.133 -6.736 0.718 1.00 34.12 O ATOM 66 CB THR A 7 -3.556 -8.488 2.525 1.00 14.34 C ATOM 67 OG1 THR A 7 -3.327 -9.775 3.134 1.00 62.11 O ATOM 68 CG2 THR A 7 -2.657 -7.445 3.202 1.00 74.34 C ATOM 0 HA THR A 7 -5.250 -7.989 3.748 1.00 54.13 H new ATOM 0 HB THR A 7 -3.315 -8.525 1.463 1.00 14.34 H new ATOM 0 HG1 THR A 7 -4.160 -10.291 3.133 1.00 62.11 H new ATOM 0 HG21 THR A 7 -1.612 -7.731 3.079 1.00 74.34 H new ATOM 0 HG22 THR A 7 -2.823 -6.470 2.744 1.00 74.34 H new ATOM 0 HG23 THR A 7 -2.897 -7.393 4.264 1.00 74.34 H new ATOM 76 N SER A 8 -5.776 -5.825 2.633 1.00 31.21 N ATOM 77 CA SER A 8 -6.003 -4.546 2.038 1.00 33.15 C ATOM 78 C SER A 8 -5.211 -3.514 2.811 1.00 74.13 C ATOM 79 O SER A 8 -5.004 -3.664 4.009 1.00 14.45 O ATOM 80 CB SER A 8 -7.492 -4.196 2.064 1.00 10.34 C ATOM 81 OG SER A 8 -8.284 -5.233 1.493 1.00 41.40 O ATOM 0 H SER A 8 -6.004 -5.880 3.626 1.00 31.21 H new ATOM 0 HA SER A 8 -5.682 -4.563 0.996 1.00 33.15 H new ATOM 0 HB2 SER A 8 -7.807 -4.021 3.093 1.00 10.34 H new ATOM 0 HB3 SER A 8 -7.658 -3.268 1.517 1.00 10.34 H new ATOM 0 HG SER A 8 -9.230 -4.979 1.527 1.00 41.40 H new ATOM 87 N VAL A 9 -4.737 -2.513 2.148 1.00 52.32 N ATOM 88 CA VAL A 9 -4.051 -1.465 2.797 1.00 10.41 C ATOM 89 C VAL A 9 -4.558 -0.171 2.219 1.00 3.34 C ATOM 90 O VAL A 9 -4.457 0.086 1.012 1.00 25.44 O ATOM 91 CB VAL A 9 -2.501 -1.641 2.744 1.00 0.22 C ATOM 92 CG1 VAL A 9 -2.016 -1.889 1.342 1.00 34.42 C ATOM 93 CG2 VAL A 9 -1.782 -0.455 3.374 1.00 51.53 C ATOM 0 H VAL A 9 -4.819 -2.405 1.137 1.00 52.32 H new ATOM 0 HA VAL A 9 -4.258 -1.470 3.867 1.00 10.41 H new ATOM 0 HB VAL A 9 -2.259 -2.525 3.334 1.00 0.22 H new ATOM 0 HG11 VAL A 9 -0.932 -2.006 1.347 1.00 34.42 H new ATOM 0 HG12 VAL A 9 -2.477 -2.797 0.953 1.00 34.42 H new ATOM 0 HG13 VAL A 9 -2.287 -1.044 0.709 1.00 34.42 H new ATOM 0 HG21 VAL A 9 -0.705 -0.612 3.319 1.00 51.53 H new ATOM 0 HG22 VAL A 9 -2.044 0.456 2.837 1.00 51.53 H new ATOM 0 HG23 VAL A 9 -2.082 -0.360 4.417 1.00 51.53 H new ATOM 103 N THR A 10 -5.172 0.574 3.060 1.00 21.40 N ATOM 104 CA THR A 10 -5.894 1.728 2.686 1.00 34.32 C ATOM 105 C THR A 10 -5.245 2.961 3.259 1.00 11.21 C ATOM 106 O THR A 10 -4.883 2.994 4.439 1.00 51.30 O ATOM 107 CB THR A 10 -7.329 1.599 3.232 1.00 60.55 C ATOM 108 OG1 THR A 10 -7.889 0.356 2.787 1.00 40.33 O ATOM 109 CG2 THR A 10 -8.218 2.743 2.770 1.00 31.31 C ATOM 0 H THR A 10 -5.185 0.389 4.063 1.00 21.40 H new ATOM 0 HA THR A 10 -5.906 1.818 1.600 1.00 34.32 H new ATOM 0 HB THR A 10 -7.280 1.634 4.320 1.00 60.55 H new ATOM 0 HG1 THR A 10 -8.342 -0.085 3.536 1.00 40.33 H new ATOM 0 HG21 THR A 10 -9.220 2.612 3.178 1.00 31.31 H new ATOM 0 HG22 THR A 10 -7.804 3.689 3.119 1.00 31.31 H new ATOM 0 HG23 THR A 10 -8.267 2.749 1.681 1.00 31.31 H new ATOM 117 N LEU A 11 -5.065 3.935 2.434 1.00 51.20 N ATOM 118 CA LEU A 11 -4.567 5.184 2.873 1.00 51.13 C ATOM 119 C LEU A 11 -5.731 6.136 3.058 1.00 31.31 C ATOM 120 O LEU A 11 -6.669 6.155 2.246 1.00 44.14 O ATOM 121 CB LEU A 11 -3.450 5.717 1.930 1.00 14.30 C ATOM 122 CG LEU A 11 -3.758 5.875 0.419 1.00 23.51 C ATOM 123 CD1 LEU A 11 -4.590 7.115 0.099 1.00 31.21 C ATOM 124 CD2 LEU A 11 -2.477 5.872 -0.386 1.00 20.02 C ATOM 0 H LEU A 11 -5.261 3.883 1.434 1.00 51.20 H new ATOM 0 HA LEU A 11 -4.077 5.077 3.841 1.00 51.13 H new ATOM 0 HB2 LEU A 11 -3.138 6.691 2.306 1.00 14.30 H new ATOM 0 HB3 LEU A 11 -2.593 5.050 2.024 1.00 14.30 H new ATOM 0 HG LEU A 11 -4.366 5.015 0.136 1.00 23.51 H new ATOM 0 HD11 LEU A 11 -4.770 7.165 -0.975 1.00 31.21 H new ATOM 0 HD12 LEU A 11 -5.544 7.059 0.624 1.00 31.21 H new ATOM 0 HD13 LEU A 11 -4.052 8.007 0.419 1.00 31.21 H new ATOM 0 HD21 LEU A 11 -2.712 5.984 -1.444 1.00 20.02 H new ATOM 0 HD22 LEU A 11 -1.844 6.699 -0.066 1.00 20.02 H new ATOM 0 HD23 LEU A 11 -1.951 4.931 -0.229 1.00 20.02 H new ATOM 136 N GLN A 12 -5.733 6.815 4.159 1.00 52.34 N ATOM 137 CA GLN A 12 -6.753 7.780 4.468 1.00 30.15 C ATOM 138 C GLN A 12 -6.273 9.162 4.186 1.00 12.44 C ATOM 139 O GLN A 12 -5.308 9.636 4.809 1.00 13.10 O ATOM 140 CB GLN A 12 -7.172 7.695 5.897 1.00 65.23 C ATOM 141 CG GLN A 12 -7.909 6.450 6.257 1.00 63.35 C ATOM 142 CD GLN A 12 -8.524 6.581 7.605 1.00 14.21 C ATOM 143 OE1 GLN A 12 -7.935 6.214 8.611 1.00 61.53 O ATOM 144 NE2 GLN A 12 -9.683 7.173 7.640 1.00 63.42 N ATOM 0 H GLN A 12 -5.020 6.718 4.882 1.00 52.34 H new ATOM 0 HA GLN A 12 -7.611 7.552 3.835 1.00 30.15 H new ATOM 0 HB2 GLN A 12 -6.285 7.771 6.527 1.00 65.23 H new ATOM 0 HB3 GLN A 12 -7.802 8.554 6.128 1.00 65.23 H new ATOM 0 HG2 GLN A 12 -8.683 6.251 5.515 1.00 63.35 H new ATOM 0 HG3 GLN A 12 -7.227 5.600 6.243 1.00 63.35 H new ATOM 0 HE21 GLN A 12 -10.135 7.461 6.772 1.00 63.42 H new ATOM 0 HE22 GLN A 12 -10.139 7.349 8.535 1.00 63.42 H new ATOM 153 N LEU A 13 -6.969 9.821 3.323 1.00 70.41 N ATOM 154 CA LEU A 13 -6.593 11.110 2.842 1.00 45.42 C ATOM 155 C LEU A 13 -7.754 12.060 2.949 1.00 11.43 C ATOM 156 O LEU A 13 -8.754 11.920 2.224 1.00 22.34 O ATOM 157 CB LEU A 13 -6.202 10.999 1.371 1.00 44.33 C ATOM 158 CG LEU A 13 -5.915 12.314 0.662 1.00 12.42 C ATOM 159 CD1 LEU A 13 -4.598 12.929 1.122 1.00 70.31 C ATOM 160 CD2 LEU A 13 -5.969 12.141 -0.841 1.00 54.24 C ATOM 0 H LEU A 13 -7.838 9.470 2.921 1.00 70.41 H new ATOM 0 HA LEU A 13 -5.758 11.479 3.437 1.00 45.42 H new ATOM 0 HB2 LEU A 13 -5.317 10.367 1.296 1.00 44.33 H new ATOM 0 HB3 LEU A 13 -7.004 10.488 0.839 1.00 44.33 H new ATOM 0 HG LEU A 13 -6.699 13.019 0.938 1.00 12.42 H new ATOM 0 HD11 LEU A 13 -4.430 13.867 0.592 1.00 70.31 H new ATOM 0 HD12 LEU A 13 -4.641 13.121 2.194 1.00 70.31 H new ATOM 0 HD13 LEU A 13 -3.781 12.240 0.909 1.00 70.31 H new ATOM 0 HD21 LEU A 13 -5.760 13.095 -1.325 1.00 54.24 H new ATOM 0 HD22 LEU A 13 -5.224 11.407 -1.150 1.00 54.24 H new ATOM 0 HD23 LEU A 13 -6.961 11.796 -1.132 1.00 54.24 H new ATOM 172 N ASP A 14 -7.669 13.021 3.815 1.00 32.05 N ATOM 173 CA ASP A 14 -8.716 13.974 3.857 1.00 13.32 C ATOM 174 C ASP A 14 -8.401 15.076 2.909 1.00 3.44 C ATOM 175 O ASP A 14 -7.578 15.954 3.177 1.00 2.02 O ATOM 176 CB ASP A 14 -9.031 14.514 5.243 1.00 34.32 C ATOM 177 CG ASP A 14 -10.181 15.509 5.180 1.00 42.55 C ATOM 178 OD1 ASP A 14 -11.090 15.345 4.318 1.00 53.41 O ATOM 179 OD2 ASP A 14 -10.199 16.469 5.962 1.00 3.01 O ATOM 0 H ASP A 14 -6.908 13.160 4.480 1.00 32.05 H new ATOM 0 HA ASP A 14 -9.627 13.456 3.558 1.00 13.32 H new ATOM 0 HB2 ASP A 14 -9.290 13.692 5.910 1.00 34.32 H new ATOM 0 HB3 ASP A 14 -8.148 14.997 5.661 1.00 34.32 H new ATOM 184 N ASP A 15 -9.031 14.989 1.783 1.00 2.33 N ATOM 185 CA ASP A 15 -8.877 15.947 0.721 1.00 34.25 C ATOM 186 C ASP A 15 -10.020 16.968 0.814 1.00 61.15 C ATOM 187 O ASP A 15 -10.218 17.812 -0.054 1.00 44.20 O ATOM 188 CB ASP A 15 -8.878 15.189 -0.633 1.00 11.32 C ATOM 189 CG ASP A 15 -8.663 16.056 -1.867 1.00 61.43 C ATOM 190 OD1 ASP A 15 -7.576 16.620 -2.047 1.00 51.14 O ATOM 191 OD2 ASP A 15 -9.580 16.161 -2.703 1.00 30.24 O ATOM 0 H ASP A 15 -9.683 14.236 1.565 1.00 2.33 H new ATOM 0 HA ASP A 15 -7.934 16.488 0.803 1.00 34.25 H new ATOM 0 HB2 ASP A 15 -8.099 14.428 -0.604 1.00 11.32 H new ATOM 0 HB3 ASP A 15 -9.829 14.667 -0.737 1.00 11.32 H new ATOM 196 N GLY A 16 -10.760 16.893 1.915 1.00 71.12 N ATOM 197 CA GLY A 16 -11.880 17.773 2.132 1.00 13.23 C ATOM 198 C GLY A 16 -13.157 16.995 2.293 1.00 32.32 C ATOM 199 O GLY A 16 -14.179 17.533 2.735 1.00 65.45 O ATOM 0 H GLY A 16 -10.595 16.225 2.668 1.00 71.12 H new ATOM 0 HA2 GLY A 16 -11.704 18.378 3.022 1.00 13.23 H new ATOM 0 HA3 GLY A 16 -11.973 18.462 1.292 1.00 13.23 H new ATOM 203 N SER A 17 -13.106 15.725 1.937 1.00 45.42 N ATOM 204 CA SER A 17 -14.268 14.863 2.027 1.00 52.02 C ATOM 205 C SER A 17 -13.899 13.482 2.596 1.00 43.24 C ATOM 206 O SER A 17 -14.711 12.559 2.544 1.00 70.35 O ATOM 207 CB SER A 17 -14.882 14.707 0.636 1.00 41.02 C ATOM 208 OG SER A 17 -15.124 15.983 0.044 1.00 10.43 O ATOM 0 H SER A 17 -12.267 15.266 1.581 1.00 45.42 H new ATOM 0 HA SER A 17 -14.989 15.319 2.706 1.00 52.02 H new ATOM 0 HB2 SER A 17 -14.212 14.127 0.001 1.00 41.02 H new ATOM 0 HB3 SER A 17 -15.816 14.150 0.706 1.00 41.02 H new ATOM 0 HG SER A 17 -15.516 15.862 -0.846 1.00 10.43 H new ATOM 214 N GLY A 18 -12.686 13.369 3.167 1.00 73.51 N ATOM 215 CA GLY A 18 -12.199 12.104 3.725 1.00 32.43 C ATOM 216 C GLY A 18 -12.239 10.933 2.751 1.00 13.42 C ATOM 217 O GLY A 18 -13.187 10.144 2.764 1.00 44.41 O ATOM 0 H GLY A 18 -12.027 14.143 3.252 1.00 73.51 H new ATOM 0 HA2 GLY A 18 -11.173 12.242 4.067 1.00 32.43 H new ATOM 0 HA3 GLY A 18 -12.796 11.853 4.602 1.00 32.43 H new ATOM 221 N ARG A 19 -11.226 10.813 1.924 1.00 50.13 N ATOM 222 CA ARG A 19 -11.157 9.728 0.968 1.00 10.32 C ATOM 223 C ARG A 19 -10.278 8.619 1.467 1.00 63.24 C ATOM 224 O ARG A 19 -9.267 8.853 2.123 1.00 62.11 O ATOM 225 CB ARG A 19 -10.651 10.161 -0.404 1.00 23.00 C ATOM 226 CG ARG A 19 -11.656 10.898 -1.266 1.00 13.43 C ATOM 227 CD ARG A 19 -11.087 11.152 -2.659 1.00 61.14 C ATOM 228 NE ARG A 19 -12.108 11.665 -3.581 1.00 41.34 N ATOM 229 CZ ARG A 19 -11.982 11.763 -4.913 1.00 63.22 C ATOM 230 NH1 ARG A 19 -10.813 11.522 -5.507 1.00 74.32 N ATOM 231 NH2 ARG A 19 -13.023 12.146 -5.649 1.00 0.31 N ATOM 0 H ARG A 19 -10.434 11.456 1.893 1.00 50.13 H new ATOM 0 HA ARG A 19 -12.184 9.381 0.858 1.00 10.32 H new ATOM 0 HB2 ARG A 19 -9.779 10.800 -0.265 1.00 23.00 H new ATOM 0 HB3 ARG A 19 -10.315 9.276 -0.944 1.00 23.00 H new ATOM 0 HG2 ARG A 19 -12.574 10.315 -1.343 1.00 13.43 H new ATOM 0 HG3 ARG A 19 -11.919 11.846 -0.797 1.00 13.43 H new ATOM 0 HD2 ARG A 19 -10.267 11.866 -2.592 1.00 61.14 H new ATOM 0 HD3 ARG A 19 -10.671 10.226 -3.056 1.00 61.14 H new ATOM 0 HE ARG A 19 -12.990 11.974 -3.173 1.00 41.34 H new ATOM 0 HH11 ARG A 19 -10.001 11.260 -4.948 1.00 74.32 H new ATOM 0 HH12 ARG A 19 -10.730 11.600 -6.521 1.00 74.32 H new ATOM 0 HH21 ARG A 19 -13.913 12.364 -5.200 1.00 0.31 H new ATOM 0 HH22 ARG A 19 -12.931 12.222 -6.662 1.00 0.31 H new ATOM 245 N THR A 20 -10.657 7.427 1.152 1.00 24.31 N ATOM 246 CA THR A 20 -9.917 6.271 1.502 1.00 31.24 C ATOM 247 C THR A 20 -9.584 5.521 0.217 1.00 41.32 C ATOM 248 O THR A 20 -10.445 5.375 -0.662 1.00 32.35 O ATOM 249 CB THR A 20 -10.725 5.388 2.484 1.00 74.52 C ATOM 250 OG1 THR A 20 -11.981 4.999 1.894 1.00 50.25 O ATOM 251 CG2 THR A 20 -11.012 6.156 3.762 1.00 2.43 C ATOM 0 H THR A 20 -11.511 7.229 0.631 1.00 24.31 H new ATOM 0 HA THR A 20 -8.994 6.546 2.011 1.00 31.24 H new ATOM 0 HB THR A 20 -10.132 4.501 2.706 1.00 74.52 H new ATOM 0 HG1 THR A 20 -12.480 4.440 2.526 1.00 50.25 H new ATOM 0 HG21 THR A 20 -11.581 5.526 4.445 1.00 2.43 H new ATOM 0 HG22 THR A 20 -10.072 6.445 4.232 1.00 2.43 H new ATOM 0 HG23 THR A 20 -11.590 7.050 3.527 1.00 2.43 H new ATOM 259 N TYR A 21 -8.365 5.091 0.077 1.00 3.41 N ATOM 260 CA TYR A 21 -7.918 4.466 -1.159 1.00 74.32 C ATOM 261 C TYR A 21 -7.066 3.240 -0.888 1.00 51.25 C ATOM 262 O TYR A 21 -6.164 3.283 -0.048 1.00 34.32 O ATOM 263 CB TYR A 21 -7.143 5.517 -1.989 1.00 60.55 C ATOM 264 CG TYR A 21 -6.384 5.003 -3.207 1.00 50.40 C ATOM 265 CD1 TYR A 21 -7.036 4.699 -4.396 1.00 65.22 C ATOM 266 CD2 TYR A 21 -4.999 4.852 -3.162 1.00 13.42 C ATOM 267 CE1 TYR A 21 -6.330 4.257 -5.504 1.00 63.31 C ATOM 268 CE2 TYR A 21 -4.292 4.411 -4.259 1.00 15.33 C ATOM 269 CZ TYR A 21 -4.958 4.115 -5.426 1.00 24.41 C ATOM 270 OH TYR A 21 -4.244 3.674 -6.520 1.00 53.44 O ATOM 0 H TYR A 21 -7.649 5.157 0.801 1.00 3.41 H new ATOM 0 HA TYR A 21 -8.785 4.121 -1.723 1.00 74.32 H new ATOM 0 HB2 TYR A 21 -7.851 6.275 -2.324 1.00 60.55 H new ATOM 0 HB3 TYR A 21 -6.432 6.014 -1.330 1.00 60.55 H new ATOM 0 HD1 TYR A 21 -8.109 4.809 -4.458 1.00 65.22 H new ATOM 0 HD2 TYR A 21 -4.470 5.085 -2.250 1.00 13.42 H new ATOM 0 HE1 TYR A 21 -6.849 4.025 -6.422 1.00 63.31 H new ATOM 0 HE2 TYR A 21 -3.219 4.298 -4.203 1.00 15.33 H new ATOM 0 HH TYR A 21 -3.291 3.632 -6.294 1.00 53.44 H new ATOM 280 N GLN A 22 -7.376 2.145 -1.567 1.00 61.23 N ATOM 281 CA GLN A 22 -6.570 0.935 -1.478 1.00 43.42 C ATOM 282 C GLN A 22 -5.334 1.088 -2.300 1.00 50.30 C ATOM 283 O GLN A 22 -5.386 1.571 -3.434 1.00 30.11 O ATOM 284 CB GLN A 22 -7.298 -0.326 -1.978 1.00 21.01 C ATOM 285 CG GLN A 22 -8.263 -0.989 -1.014 1.00 43.43 C ATOM 286 CD GLN A 22 -9.443 -0.135 -0.656 1.00 20.42 C ATOM 287 OE1 GLN A 22 -10.462 -0.138 -1.352 1.00 2.20 O ATOM 288 NE2 GLN A 22 -9.368 0.518 0.456 1.00 42.31 N ATOM 0 H GLN A 22 -8.182 2.069 -2.187 1.00 61.23 H new ATOM 0 HA GLN A 22 -6.346 0.806 -0.419 1.00 43.42 H new ATOM 0 HB2 GLN A 22 -7.848 -0.064 -2.882 1.00 21.01 H new ATOM 0 HB3 GLN A 22 -6.546 -1.061 -2.264 1.00 21.01 H new ATOM 0 HG2 GLN A 22 -8.620 -1.920 -1.455 1.00 43.43 H new ATOM 0 HG3 GLN A 22 -7.727 -1.253 -0.102 1.00 43.43 H new ATOM 0 HE21 GLN A 22 -8.508 0.496 1.003 1.00 42.31 H new ATOM 0 HE22 GLN A 22 -10.169 1.056 0.787 1.00 42.31 H new ATOM 297 N LEU A 23 -4.239 0.680 -1.750 1.00 15.54 N ATOM 298 CA LEU A 23 -2.997 0.682 -2.468 1.00 22.14 C ATOM 299 C LEU A 23 -3.036 -0.344 -3.569 1.00 62.04 C ATOM 300 O LEU A 23 -3.594 -1.443 -3.404 1.00 0.44 O ATOM 301 CB LEU A 23 -1.831 0.392 -1.547 1.00 34.25 C ATOM 302 CG LEU A 23 -1.377 1.525 -0.623 1.00 61.02 C ATOM 303 CD1 LEU A 23 -0.235 1.060 0.251 1.00 12.44 C ATOM 304 CD2 LEU A 23 -0.942 2.734 -1.436 1.00 72.24 C ATOM 0 H LEU A 23 -4.174 0.335 -0.792 1.00 15.54 H new ATOM 0 HA LEU A 23 -2.859 1.675 -2.897 1.00 22.14 H new ATOM 0 HB2 LEU A 23 -2.094 -0.466 -0.928 1.00 34.25 H new ATOM 0 HB3 LEU A 23 -0.981 0.094 -2.160 1.00 34.25 H new ATOM 0 HG LEU A 23 -2.218 1.810 0.009 1.00 61.02 H new ATOM 0 HD11 LEU A 23 0.079 1.875 0.904 1.00 12.44 H new ATOM 0 HD12 LEU A 23 -0.561 0.215 0.857 1.00 12.44 H new ATOM 0 HD13 LEU A 23 0.602 0.755 -0.376 1.00 12.44 H new ATOM 0 HD21 LEU A 23 -0.623 3.529 -0.763 1.00 72.24 H new ATOM 0 HD22 LEU A 23 -0.114 2.455 -2.087 1.00 72.24 H new ATOM 0 HD23 LEU A 23 -1.778 3.085 -2.042 1.00 72.24 H new ATOM 316 N ARG A 24 -2.501 0.009 -4.691 1.00 74.14 N ATOM 317 CA ARG A 24 -2.438 -0.906 -5.776 1.00 30.43 C ATOM 318 C ARG A 24 -1.037 -1.405 -5.924 1.00 42.44 C ATOM 319 O ARG A 24 -0.093 -0.721 -5.508 1.00 22.54 O ATOM 320 CB ARG A 24 -2.977 -0.304 -7.078 1.00 3.42 C ATOM 321 CG ARG A 24 -4.450 0.114 -7.003 1.00 53.44 C ATOM 322 CD ARG A 24 -5.319 -0.994 -6.399 1.00 61.21 C ATOM 323 NE ARG A 24 -5.158 -2.285 -7.092 1.00 33.34 N ATOM 324 CZ ARG A 24 -4.934 -3.465 -6.487 1.00 62.35 C ATOM 325 NH1 ARG A 24 -4.767 -3.532 -5.163 1.00 22.31 N ATOM 326 NH2 ARG A 24 -4.839 -4.567 -7.211 1.00 32.11 N ATOM 0 H ARG A 24 -2.101 0.928 -4.878 1.00 74.14 H new ATOM 0 HA ARG A 24 -3.089 -1.751 -5.554 1.00 30.43 H new ATOM 0 HB2 ARG A 24 -2.375 0.566 -7.342 1.00 3.42 H new ATOM 0 HB3 ARG A 24 -2.856 -1.031 -7.881 1.00 3.42 H new ATOM 0 HG2 ARG A 24 -4.542 1.018 -6.402 1.00 53.44 H new ATOM 0 HG3 ARG A 24 -4.811 0.357 -8.002 1.00 53.44 H new ATOM 0 HD2 ARG A 24 -5.064 -1.117 -5.346 1.00 61.21 H new ATOM 0 HD3 ARG A 24 -6.366 -0.692 -6.440 1.00 61.21 H new ATOM 0 HE ARG A 24 -5.221 -2.283 -8.110 1.00 33.34 H new ATOM 0 HH11 ARG A 24 -4.809 -2.682 -4.600 1.00 22.31 H new ATOM 0 HH12 ARG A 24 -4.598 -4.433 -4.715 1.00 22.31 H new ATOM 0 HH21 ARG A 24 -4.936 -4.521 -8.225 1.00 32.11 H new ATOM 0 HH22 ARG A 24 -4.669 -5.464 -6.755 1.00 32.11 H new ATOM 340 N GLU A 25 -0.908 -2.600 -6.463 1.00 31.20 N ATOM 341 CA GLU A 25 0.373 -3.257 -6.625 1.00 51.01 C ATOM 342 C GLU A 25 1.300 -2.457 -7.526 1.00 24.21 C ATOM 343 O GLU A 25 0.878 -1.913 -8.563 1.00 72.52 O ATOM 344 CB GLU A 25 0.180 -4.678 -7.140 1.00 73.31 C ATOM 345 CG GLU A 25 -0.561 -4.773 -8.460 1.00 44.02 C ATOM 346 CD GLU A 25 -0.685 -6.183 -8.927 1.00 64.03 C ATOM 347 OE1 GLU A 25 0.348 -6.805 -9.246 1.00 22.11 O ATOM 348 OE2 GLU A 25 -1.815 -6.708 -8.988 1.00 21.21 O ATOM 0 H GLU A 25 -1.698 -3.148 -6.804 1.00 31.20 H new ATOM 0 HA GLU A 25 0.852 -3.313 -5.647 1.00 51.01 H new ATOM 0 HB2 GLU A 25 1.158 -5.146 -7.252 1.00 73.31 H new ATOM 0 HB3 GLU A 25 -0.364 -5.252 -6.390 1.00 73.31 H new ATOM 0 HG2 GLU A 25 -1.554 -4.338 -8.351 1.00 44.02 H new ATOM 0 HG3 GLU A 25 -0.037 -4.186 -9.214 1.00 44.02 H new ATOM 355 N GLY A 26 2.527 -2.371 -7.116 1.00 4.25 N ATOM 356 CA GLY A 26 3.487 -1.574 -7.807 1.00 3.04 C ATOM 357 C GLY A 26 3.796 -0.391 -6.951 1.00 73.11 C ATOM 358 O GLY A 26 3.480 -0.404 -5.752 1.00 42.32 O ATOM 0 H GLY A 26 2.890 -2.852 -6.293 1.00 4.25 H new ATOM 0 HA2 GLY A 26 4.391 -2.150 -8.004 1.00 3.04 H new ATOM 0 HA3 GLY A 26 3.095 -1.255 -8.773 1.00 3.04 H new ATOM 362 N SER A 27 4.389 0.615 -7.483 1.00 30.32 N ATOM 363 CA SER A 27 4.657 1.740 -6.670 1.00 33.30 C ATOM 364 C SER A 27 3.708 2.891 -6.951 1.00 2.41 C ATOM 365 O SER A 27 3.474 3.286 -8.104 1.00 72.12 O ATOM 366 CB SER A 27 6.133 2.134 -6.708 1.00 14.41 C ATOM 367 OG SER A 27 6.592 2.309 -8.046 1.00 32.53 O ATOM 0 H SER A 27 4.691 0.682 -8.455 1.00 30.32 H new ATOM 0 HA SER A 27 4.458 1.451 -5.638 1.00 33.30 H new ATOM 0 HB2 SER A 27 6.279 3.058 -6.148 1.00 14.41 H new ATOM 0 HB3 SER A 27 6.729 1.366 -6.215 1.00 14.41 H new ATOM 0 HG SER A 27 7.539 2.562 -8.037 1.00 32.53 H new ATOM 373 N ASN A 28 3.153 3.398 -5.896 1.00 43.23 N ATOM 374 CA ASN A 28 2.222 4.472 -5.937 1.00 34.33 C ATOM 375 C ASN A 28 3.008 5.692 -5.586 1.00 43.14 C ATOM 376 O ASN A 28 3.457 5.850 -4.452 1.00 2.23 O ATOM 377 CB ASN A 28 1.090 4.237 -4.907 1.00 0.42 C ATOM 378 CG ASN A 28 0.290 2.954 -5.165 1.00 32.23 C ATOM 379 OD1 ASN A 28 -0.747 2.967 -5.842 1.00 41.10 O ATOM 380 ND2 ASN A 28 0.769 1.843 -4.634 1.00 55.25 N ATOM 0 H ASN A 28 3.344 3.062 -4.952 1.00 43.23 H new ATOM 0 HA ASN A 28 1.749 4.567 -6.914 1.00 34.33 H new ATOM 0 HB2 ASN A 28 1.522 4.192 -3.907 1.00 0.42 H new ATOM 0 HB3 ASN A 28 0.411 5.090 -4.923 1.00 0.42 H new ATOM 0 HD21 ASN A 28 0.282 0.958 -4.776 1.00 55.25 H new ATOM 0 HD22 ASN A 28 1.626 1.870 -4.082 1.00 55.25 H new ATOM 387 N ILE A 29 3.222 6.519 -6.549 1.00 54.11 N ATOM 388 CA ILE A 29 4.069 7.663 -6.380 1.00 12.30 C ATOM 389 C ILE A 29 3.252 8.905 -6.112 1.00 72.04 C ATOM 390 O ILE A 29 2.291 9.182 -6.821 1.00 64.31 O ATOM 391 CB ILE A 29 4.949 7.871 -7.637 1.00 51.01 C ATOM 392 CG1 ILE A 29 5.786 6.608 -7.905 1.00 24.05 C ATOM 393 CG2 ILE A 29 5.846 9.098 -7.488 1.00 11.10 C ATOM 394 CD1 ILE A 29 6.692 6.705 -9.110 1.00 42.41 C ATOM 0 H ILE A 29 2.817 6.427 -7.481 1.00 54.11 H new ATOM 0 HA ILE A 29 4.713 7.482 -5.520 1.00 12.30 H new ATOM 0 HB ILE A 29 4.295 8.047 -8.491 1.00 51.01 H new ATOM 0 HG12 ILE A 29 6.393 6.396 -7.025 1.00 24.05 H new ATOM 0 HG13 ILE A 29 5.112 5.762 -8.039 1.00 24.05 H new ATOM 0 HG21 ILE A 29 6.452 9.217 -8.386 1.00 11.10 H new ATOM 0 HG22 ILE A 29 5.229 9.985 -7.346 1.00 11.10 H new ATOM 0 HG23 ILE A 29 6.499 8.969 -6.625 1.00 11.10 H new ATOM 0 HD11 ILE A 29 7.245 5.773 -9.226 1.00 42.41 H new ATOM 0 HD12 ILE A 29 6.092 6.884 -10.002 1.00 42.41 H new ATOM 0 HD13 ILE A 29 7.393 7.528 -8.973 1.00 42.41 H new ATOM 406 N ILE A 30 3.629 9.611 -5.093 1.00 23.41 N ATOM 407 CA ILE A 30 3.021 10.850 -4.715 1.00 3.13 C ATOM 408 C ILE A 30 3.925 11.984 -5.182 1.00 23.05 C ATOM 409 O ILE A 30 5.132 12.011 -4.859 1.00 71.31 O ATOM 410 CB ILE A 30 2.823 10.938 -3.171 1.00 53.52 C ATOM 411 CG1 ILE A 30 1.905 9.798 -2.679 1.00 13.24 C ATOM 412 CG2 ILE A 30 2.293 12.313 -2.752 1.00 2.45 C ATOM 413 CD1 ILE A 30 1.633 9.805 -1.185 1.00 21.12 C ATOM 0 H ILE A 30 4.395 9.332 -4.480 1.00 23.41 H new ATOM 0 HA ILE A 30 2.037 10.922 -5.178 1.00 3.13 H new ATOM 0 HB ILE A 30 3.796 10.815 -2.695 1.00 53.52 H new ATOM 0 HG12 ILE A 30 0.954 9.861 -3.208 1.00 13.24 H new ATOM 0 HG13 ILE A 30 2.357 8.843 -2.948 1.00 13.24 H new ATOM 0 HG21 ILE A 30 2.166 12.340 -1.670 1.00 2.45 H new ATOM 0 HG22 ILE A 30 3.002 13.084 -3.054 1.00 2.45 H new ATOM 0 HG23 ILE A 30 1.333 12.495 -3.234 1.00 2.45 H new ATOM 0 HD11 ILE A 30 0.980 8.970 -0.930 1.00 21.12 H new ATOM 0 HD12 ILE A 30 2.574 9.708 -0.643 1.00 21.12 H new ATOM 0 HD13 ILE A 30 1.149 10.742 -0.908 1.00 21.12 H new ATOM 425 N GLY A 31 3.367 12.861 -5.966 1.00 50.45 N ATOM 426 CA GLY A 31 4.073 13.991 -6.470 1.00 24.13 C ATOM 427 C GLY A 31 3.335 14.570 -7.619 1.00 42.23 C ATOM 428 O GLY A 31 2.253 14.117 -7.939 1.00 44.42 O ATOM 0 H GLY A 31 2.396 12.806 -6.274 1.00 50.45 H new ATOM 0 HA2 GLY A 31 4.189 14.739 -5.686 1.00 24.13 H new ATOM 0 HA3 GLY A 31 5.076 13.697 -6.780 1.00 24.13 H new ATOM 432 N ARG A 32 3.876 15.560 -8.238 1.00 34.55 N ATOM 433 CA ARG A 32 3.200 16.173 -9.345 1.00 33.41 C ATOM 434 C ARG A 32 4.000 15.951 -10.602 1.00 43.33 C ATOM 435 O ARG A 32 5.076 16.530 -10.777 1.00 55.20 O ATOM 436 CB ARG A 32 3.003 17.665 -9.059 1.00 12.33 C ATOM 437 CG ARG A 32 2.155 17.916 -7.818 1.00 23.23 C ATOM 438 CD ARG A 32 2.052 19.393 -7.461 1.00 60.34 C ATOM 439 NE ARG A 32 1.502 20.225 -8.527 1.00 52.12 N ATOM 440 CZ ARG A 32 1.123 21.502 -8.358 1.00 11.24 C ATOM 441 NH1 ARG A 32 1.081 22.036 -7.134 1.00 73.32 N ATOM 442 NH2 ARG A 32 0.750 22.223 -9.398 1.00 62.34 N ATOM 0 H ARG A 32 4.781 15.967 -8.004 1.00 34.55 H new ATOM 0 HA ARG A 32 2.217 15.724 -9.484 1.00 33.41 H new ATOM 0 HB2 ARG A 32 3.976 18.138 -8.931 1.00 12.33 H new ATOM 0 HB3 ARG A 32 2.529 18.137 -9.920 1.00 12.33 H new ATOM 0 HG2 ARG A 32 1.154 17.516 -7.981 1.00 23.23 H new ATOM 0 HG3 ARG A 32 2.583 17.372 -6.976 1.00 23.23 H new ATOM 0 HD2 ARG A 32 1.429 19.499 -6.573 1.00 60.34 H new ATOM 0 HD3 ARG A 32 3.044 19.763 -7.200 1.00 60.34 H new ATOM 0 HE ARG A 32 1.400 19.812 -9.454 1.00 52.12 H new ATOM 0 HH11 ARG A 32 1.338 21.473 -6.323 1.00 73.32 H new ATOM 0 HH12 ARG A 32 0.792 23.007 -7.011 1.00 73.32 H new ATOM 0 HH21 ARG A 32 0.749 21.810 -10.331 1.00 62.34 H new ATOM 0 HH22 ARG A 32 0.462 23.193 -9.269 1.00 62.34 H new ATOM 456 N GLY A 33 3.511 15.071 -11.433 1.00 45.21 N ATOM 457 CA GLY A 33 4.143 14.779 -12.675 1.00 44.05 C ATOM 458 C GLY A 33 3.432 13.661 -13.376 1.00 62.50 C ATOM 459 O GLY A 33 2.495 13.081 -12.818 1.00 3.02 O ATOM 0 H GLY A 33 2.659 14.538 -11.260 1.00 45.21 H new ATOM 0 HA2 GLY A 33 4.146 15.668 -13.306 1.00 44.05 H new ATOM 0 HA3 GLY A 33 5.184 14.505 -12.504 1.00 44.05 H new ATOM 463 N GLN A 34 3.891 13.329 -14.565 1.00 1.15 N ATOM 464 CA GLN A 34 3.346 12.215 -15.336 1.00 63.44 C ATOM 465 C GLN A 34 3.948 10.904 -14.838 1.00 23.40 C ATOM 466 O GLN A 34 3.455 9.814 -15.137 1.00 54.44 O ATOM 467 CB GLN A 34 3.661 12.385 -16.825 1.00 72.00 C ATOM 468 CG GLN A 34 2.993 13.579 -17.486 1.00 11.33 C ATOM 469 CD GLN A 34 3.449 13.778 -18.921 1.00 51.44 C ATOM 470 OE1 GLN A 34 4.588 13.458 -19.281 1.00 54.44 O ATOM 471 NE2 GLN A 34 2.579 14.287 -19.752 1.00 33.25 N ATOM 0 H GLN A 34 4.654 13.821 -15.031 1.00 1.15 H new ATOM 0 HA GLN A 34 2.264 12.199 -15.205 1.00 63.44 H new ATOM 0 HB2 GLN A 34 4.740 12.478 -16.945 1.00 72.00 H new ATOM 0 HB3 GLN A 34 3.358 11.480 -17.352 1.00 72.00 H new ATOM 0 HG2 GLN A 34 1.912 13.443 -17.467 1.00 11.33 H new ATOM 0 HG3 GLN A 34 3.211 14.478 -16.910 1.00 11.33 H new ATOM 0 HE21 GLN A 34 1.647 14.540 -19.423 1.00 33.25 H new ATOM 0 HE22 GLN A 34 2.831 14.431 -20.730 1.00 33.25 H new ATOM 480 N ASP A 35 5.043 11.018 -14.110 1.00 64.43 N ATOM 481 CA ASP A 35 5.727 9.853 -13.535 1.00 31.21 C ATOM 482 C ASP A 35 5.065 9.454 -12.213 1.00 74.43 C ATOM 483 O ASP A 35 5.107 8.290 -11.790 1.00 51.41 O ATOM 484 CB ASP A 35 7.223 10.171 -13.338 1.00 34.04 C ATOM 485 CG ASP A 35 8.041 8.998 -12.823 1.00 32.35 C ATOM 486 OD1 ASP A 35 8.004 7.910 -13.439 1.00 14.22 O ATOM 487 OD2 ASP A 35 8.742 9.144 -11.815 1.00 54.01 O ATOM 0 H ASP A 35 5.489 11.910 -13.896 1.00 64.43 H new ATOM 0 HA ASP A 35 5.645 9.009 -14.220 1.00 31.21 H new ATOM 0 HB2 ASP A 35 7.642 10.504 -14.288 1.00 34.04 H new ATOM 0 HB3 ASP A 35 7.318 11.002 -12.639 1.00 34.04 H new ATOM 492 N ALA A 36 4.410 10.418 -11.603 1.00 72.02 N ATOM 493 CA ALA A 36 3.711 10.228 -10.351 1.00 10.32 C ATOM 494 C ALA A 36 2.329 9.643 -10.584 1.00 43.12 C ATOM 495 O ALA A 36 1.793 9.692 -11.698 1.00 71.44 O ATOM 496 CB ALA A 36 3.586 11.547 -9.625 1.00 53.42 C ATOM 0 H ALA A 36 4.347 11.368 -11.968 1.00 72.02 H new ATOM 0 HA ALA A 36 4.286 9.529 -9.743 1.00 10.32 H new ATOM 0 HB1 ALA A 36 3.058 11.395 -8.683 1.00 53.42 H new ATOM 0 HB2 ALA A 36 4.580 11.947 -9.424 1.00 53.42 H new ATOM 0 HB3 ALA A 36 3.029 12.251 -10.243 1.00 53.42 H new ATOM 502 N GLN A 37 1.751 9.102 -9.544 1.00 33.12 N ATOM 503 CA GLN A 37 0.436 8.550 -9.598 1.00 14.52 C ATOM 504 C GLN A 37 -0.523 9.508 -8.927 1.00 62.13 C ATOM 505 O GLN A 37 -1.432 10.032 -9.556 1.00 42.23 O ATOM 506 CB GLN A 37 0.400 7.196 -8.886 1.00 42.44 C ATOM 507 CG GLN A 37 1.223 6.103 -9.553 1.00 2.53 C ATOM 508 CD GLN A 37 0.751 5.788 -10.957 1.00 3.12 C ATOM 509 OE1 GLN A 37 -0.425 5.931 -11.283 1.00 44.01 O ATOM 510 NE2 GLN A 37 1.647 5.365 -11.787 1.00 62.20 N ATOM 0 H GLN A 37 2.192 9.035 -8.627 1.00 33.12 H new ATOM 0 HA GLN A 37 0.146 8.401 -10.638 1.00 14.52 H new ATOM 0 HB2 GLN A 37 0.757 7.329 -7.865 1.00 42.44 H new ATOM 0 HB3 GLN A 37 -0.636 6.863 -8.821 1.00 42.44 H new ATOM 0 HG2 GLN A 37 2.268 6.411 -9.586 1.00 2.53 H new ATOM 0 HG3 GLN A 37 1.176 5.198 -8.947 1.00 2.53 H new ATOM 0 HE21 GLN A 37 2.615 5.258 -11.482 1.00 62.20 H new ATOM 0 HE22 GLN A 37 1.387 5.138 -12.747 1.00 62.20 H new ATOM 519 N PHE A 38 -0.257 9.791 -7.679 1.00 31.44 N ATOM 520 CA PHE A 38 -1.084 10.668 -6.889 1.00 22.22 C ATOM 521 C PHE A 38 -0.445 12.029 -6.830 1.00 14.20 C ATOM 522 O PHE A 38 0.732 12.149 -6.515 1.00 41.11 O ATOM 523 CB PHE A 38 -1.300 10.100 -5.475 1.00 32.35 C ATOM 524 CG PHE A 38 -1.991 11.054 -4.532 1.00 25.21 C ATOM 525 CD1 PHE A 38 -3.335 11.345 -4.667 1.00 54.50 C ATOM 526 CD2 PHE A 38 -1.279 11.673 -3.526 1.00 61.12 C ATOM 527 CE1 PHE A 38 -3.948 12.234 -3.809 1.00 35.34 C ATOM 528 CE2 PHE A 38 -1.877 12.556 -2.674 1.00 10.22 C ATOM 529 CZ PHE A 38 -3.215 12.843 -2.809 1.00 21.21 C ATOM 0 H PHE A 38 0.547 9.416 -7.176 1.00 31.44 H new ATOM 0 HA PHE A 38 -2.065 10.752 -7.357 1.00 22.22 H new ATOM 0 HB2 PHE A 38 -1.889 9.186 -5.547 1.00 32.35 H new ATOM 0 HB3 PHE A 38 -0.333 9.824 -5.053 1.00 32.35 H new ATOM 0 HD1 PHE A 38 -3.910 10.873 -5.450 1.00 54.50 H new ATOM 0 HD2 PHE A 38 -0.228 11.455 -3.410 1.00 61.12 H new ATOM 0 HE1 PHE A 38 -5.000 12.454 -3.919 1.00 35.34 H new ATOM 0 HE2 PHE A 38 -1.299 13.029 -1.894 1.00 10.22 H new ATOM 0 HZ PHE A 38 -3.691 13.541 -2.136 1.00 21.21 H new ATOM 539 N ARG A 39 -1.214 13.034 -7.119 1.00 22.55 N ATOM 540 CA ARG A 39 -0.716 14.375 -7.169 1.00 64.33 C ATOM 541 C ARG A 39 -1.229 15.172 -5.988 1.00 72.32 C ATOM 542 O ARG A 39 -2.420 15.136 -5.679 1.00 53.54 O ATOM 543 CB ARG A 39 -1.143 15.021 -8.475 1.00 73.03 C ATOM 544 CG ARG A 39 -0.643 14.284 -9.705 1.00 71.23 C ATOM 545 CD ARG A 39 -1.210 14.866 -10.983 1.00 71.40 C ATOM 546 NE ARG A 39 -2.681 14.772 -11.035 1.00 4.10 N ATOM 547 CZ ARG A 39 -3.391 14.463 -12.122 1.00 23.44 C ATOM 548 NH1 ARG A 39 -2.777 14.172 -13.265 1.00 12.22 N ATOM 549 NH2 ARG A 39 -4.716 14.435 -12.058 1.00 54.53 N ATOM 0 H ARG A 39 -2.209 12.947 -7.328 1.00 22.55 H new ATOM 0 HA ARG A 39 0.373 14.358 -7.118 1.00 64.33 H new ATOM 0 HB2 ARG A 39 -2.231 15.071 -8.508 1.00 73.03 H new ATOM 0 HB3 ARG A 39 -0.776 16.047 -8.501 1.00 73.03 H new ATOM 0 HG2 ARG A 39 0.446 14.329 -9.737 1.00 71.23 H new ATOM 0 HG3 ARG A 39 -0.916 13.231 -9.633 1.00 71.23 H new ATOM 0 HD2 ARG A 39 -0.911 15.911 -11.068 1.00 71.40 H new ATOM 0 HD3 ARG A 39 -0.784 14.342 -11.839 1.00 71.40 H new ATOM 0 HE ARG A 39 -3.195 14.957 -10.174 1.00 4.10 H new ATOM 0 HH11 ARG A 39 -1.758 14.184 -13.314 1.00 12.22 H new ATOM 0 HH12 ARG A 39 -3.325 13.937 -14.093 1.00 12.22 H new ATOM 0 HH21 ARG A 39 -5.189 14.649 -11.180 1.00 54.53 H new ATOM 0 HH22 ARG A 39 -5.262 14.199 -12.887 1.00 54.53 H new ATOM 563 N LEU A 40 -0.333 15.853 -5.317 1.00 72.53 N ATOM 564 CA LEU A 40 -0.703 16.697 -4.203 1.00 33.25 C ATOM 565 C LEU A 40 -1.249 18.018 -4.701 1.00 62.24 C ATOM 566 O LEU A 40 -0.740 18.570 -5.674 1.00 51.42 O ATOM 567 CB LEU A 40 0.484 16.956 -3.267 1.00 40.21 C ATOM 568 CG LEU A 40 0.947 15.794 -2.394 1.00 63.34 C ATOM 569 CD1 LEU A 40 2.157 16.214 -1.596 1.00 44.44 C ATOM 570 CD2 LEU A 40 -0.162 15.365 -1.447 1.00 35.45 C ATOM 0 H LEU A 40 0.666 15.840 -5.524 1.00 72.53 H new ATOM 0 HA LEU A 40 -1.473 16.170 -3.640 1.00 33.25 H new ATOM 0 HB2 LEU A 40 1.329 17.281 -3.874 1.00 40.21 H new ATOM 0 HB3 LEU A 40 0.224 17.788 -2.613 1.00 40.21 H new ATOM 0 HG LEU A 40 1.204 14.952 -3.037 1.00 63.34 H new ATOM 0 HD11 LEU A 40 2.488 15.384 -0.972 1.00 44.44 H new ATOM 0 HD12 LEU A 40 2.960 16.499 -2.276 1.00 44.44 H new ATOM 0 HD13 LEU A 40 1.899 17.063 -0.963 1.00 44.44 H new ATOM 0 HD21 LEU A 40 0.186 14.535 -0.832 1.00 35.45 H new ATOM 0 HD22 LEU A 40 -0.437 16.202 -0.805 1.00 35.45 H new ATOM 0 HD23 LEU A 40 -1.031 15.050 -2.024 1.00 35.45 H new ATOM 582 N PRO A 41 -2.268 18.559 -4.031 1.00 43.11 N ATOM 583 CA PRO A 41 -2.875 19.839 -4.399 1.00 14.01 C ATOM 584 C PRO A 41 -2.161 21.007 -3.698 1.00 54.40 C ATOM 585 O PRO A 41 -2.735 22.080 -3.484 1.00 70.43 O ATOM 586 CB PRO A 41 -4.296 19.681 -3.859 1.00 42.12 C ATOM 587 CG PRO A 41 -4.144 18.837 -2.628 1.00 64.32 C ATOM 588 CD PRO A 41 -2.931 17.965 -2.844 1.00 71.23 C ATOM 0 HA PRO A 41 -2.824 20.059 -5.465 1.00 14.01 H new ATOM 0 HB2 PRO A 41 -4.740 20.648 -3.624 1.00 42.12 H new ATOM 0 HB3 PRO A 41 -4.946 19.201 -4.590 1.00 42.12 H new ATOM 0 HG2 PRO A 41 -4.018 19.462 -1.744 1.00 64.32 H new ATOM 0 HG3 PRO A 41 -5.033 18.228 -2.464 1.00 64.32 H new ATOM 0 HD2 PRO A 41 -2.274 17.973 -1.974 1.00 71.23 H new ATOM 0 HD3 PRO A 41 -3.212 16.927 -3.022 1.00 71.23 H new ATOM 596 N ASP A 42 -0.900 20.798 -3.404 1.00 20.22 N ATOM 597 CA ASP A 42 -0.103 21.741 -2.650 1.00 31.13 C ATOM 598 C ASP A 42 1.252 21.881 -3.351 1.00 22.23 C ATOM 599 O ASP A 42 1.478 21.244 -4.399 1.00 43.12 O ATOM 600 CB ASP A 42 0.075 21.204 -1.215 1.00 74.40 C ATOM 601 CG ASP A 42 0.559 22.238 -0.218 1.00 13.02 C ATOM 602 OD1 ASP A 42 -0.197 23.171 0.102 1.00 55.34 O ATOM 603 OD2 ASP A 42 1.682 22.122 0.282 1.00 13.42 O ATOM 0 H ASP A 42 -0.391 19.960 -3.684 1.00 20.22 H new ATOM 0 HA ASP A 42 -0.585 22.717 -2.598 1.00 31.13 H new ATOM 0 HB2 ASP A 42 -0.877 20.801 -0.870 1.00 74.40 H new ATOM 0 HB3 ASP A 42 0.783 20.376 -1.235 1.00 74.40 H new ATOM 608 N THR A 43 2.137 22.658 -2.796 1.00 2.34 N ATOM 609 CA THR A 43 3.425 22.895 -3.382 1.00 4.14 C ATOM 610 C THR A 43 4.509 22.347 -2.433 1.00 40.34 C ATOM 611 O THR A 43 4.187 21.809 -1.377 1.00 2.13 O ATOM 612 CB THR A 43 3.610 24.420 -3.665 1.00 12.14 C ATOM 613 OG1 THR A 43 4.805 24.695 -4.436 1.00 14.31 O ATOM 614 CG2 THR A 43 3.640 25.228 -2.374 1.00 71.13 C ATOM 0 H THR A 43 1.983 23.150 -1.916 1.00 2.34 H new ATOM 0 HA THR A 43 3.511 22.378 -4.338 1.00 4.14 H new ATOM 0 HB THR A 43 2.746 24.725 -4.256 1.00 12.14 H new ATOM 0 HG1 THR A 43 4.880 25.660 -4.591 1.00 14.31 H new ATOM 0 HG21 THR A 43 3.770 26.284 -2.609 1.00 71.13 H new ATOM 0 HG22 THR A 43 2.703 25.089 -1.836 1.00 71.13 H new ATOM 0 HG23 THR A 43 4.469 24.890 -1.752 1.00 71.13 H new ATOM 622 N GLY A 44 5.766 22.449 -2.814 1.00 45.40 N ATOM 623 CA GLY A 44 6.838 21.909 -1.988 1.00 45.20 C ATOM 624 C GLY A 44 7.037 20.443 -2.285 1.00 42.31 C ATOM 625 O GLY A 44 7.730 19.728 -1.571 1.00 63.14 O ATOM 0 H GLY A 44 6.073 22.894 -3.679 1.00 45.40 H new ATOM 0 HA2 GLY A 44 7.763 22.455 -2.177 1.00 45.20 H new ATOM 0 HA3 GLY A 44 6.598 22.045 -0.933 1.00 45.20 H new ATOM 629 N VAL A 45 6.383 20.013 -3.322 1.00 10.45 N ATOM 630 CA VAL A 45 6.365 18.645 -3.747 1.00 64.34 C ATOM 631 C VAL A 45 7.003 18.530 -5.147 1.00 62.52 C ATOM 632 O VAL A 45 6.762 19.376 -6.023 1.00 32.30 O ATOM 633 CB VAL A 45 4.885 18.125 -3.741 1.00 11.22 C ATOM 634 CG1 VAL A 45 3.974 19.020 -4.556 1.00 70.14 C ATOM 635 CG2 VAL A 45 4.774 16.697 -4.218 1.00 21.12 C ATOM 0 H VAL A 45 5.827 20.627 -3.917 1.00 10.45 H new ATOM 0 HA VAL A 45 6.947 18.027 -3.064 1.00 64.34 H new ATOM 0 HB VAL A 45 4.559 18.154 -2.701 1.00 11.22 H new ATOM 0 HG11 VAL A 45 2.958 18.627 -4.528 1.00 70.14 H new ATOM 0 HG12 VAL A 45 3.985 20.027 -4.139 1.00 70.14 H new ATOM 0 HG13 VAL A 45 4.323 19.051 -5.588 1.00 70.14 H new ATOM 0 HG21 VAL A 45 3.730 16.386 -4.195 1.00 21.12 H new ATOM 0 HG22 VAL A 45 5.152 16.624 -5.238 1.00 21.12 H new ATOM 0 HG23 VAL A 45 5.360 16.049 -3.566 1.00 21.12 H new ATOM 645 N SER A 46 7.832 17.534 -5.334 1.00 41.25 N ATOM 646 CA SER A 46 8.491 17.279 -6.606 1.00 62.22 C ATOM 647 C SER A 46 7.594 16.342 -7.455 1.00 53.12 C ATOM 648 O SER A 46 6.397 16.207 -7.157 1.00 54.43 O ATOM 649 CB SER A 46 9.838 16.628 -6.302 1.00 12.54 C ATOM 650 OG SER A 46 10.550 17.388 -5.321 1.00 43.31 O ATOM 0 H SER A 46 8.076 16.865 -4.604 1.00 41.25 H new ATOM 0 HA SER A 46 8.651 18.198 -7.170 1.00 62.22 H new ATOM 0 HB2 SER A 46 9.684 15.611 -5.942 1.00 12.54 H new ATOM 0 HB3 SER A 46 10.429 16.557 -7.215 1.00 12.54 H new ATOM 0 HG SER A 46 11.411 16.958 -5.135 1.00 43.31 H new ATOM 656 N ARG A 47 8.123 15.721 -8.519 1.00 1.42 N ATOM 657 CA ARG A 47 7.304 14.752 -9.248 1.00 13.32 C ATOM 658 C ARG A 47 7.286 13.455 -8.470 1.00 25.31 C ATOM 659 O ARG A 47 6.325 12.714 -8.498 1.00 2.23 O ATOM 660 CB ARG A 47 7.719 14.535 -10.723 1.00 1.11 C ATOM 661 CG ARG A 47 9.096 13.955 -10.958 1.00 42.03 C ATOM 662 CD ARG A 47 9.300 13.665 -12.427 1.00 42.55 C ATOM 663 NE ARG A 47 10.622 13.122 -12.713 1.00 35.51 N ATOM 664 CZ ARG A 47 10.991 12.570 -13.877 1.00 54.43 C ATOM 665 NH1 ARG A 47 10.102 12.398 -14.862 1.00 40.54 N ATOM 666 NH2 ARG A 47 12.244 12.176 -14.044 1.00 43.45 N ATOM 0 H ARG A 47 9.067 15.863 -8.878 1.00 1.42 H new ATOM 0 HA ARG A 47 6.298 15.166 -9.321 1.00 13.32 H new ATOM 0 HB2 ARG A 47 6.987 13.876 -11.190 1.00 1.11 H new ATOM 0 HB3 ARG A 47 7.660 15.493 -11.239 1.00 1.11 H new ATOM 0 HG2 ARG A 47 9.857 14.654 -10.609 1.00 42.03 H new ATOM 0 HG3 ARG A 47 9.216 13.039 -10.380 1.00 42.03 H new ATOM 0 HD2 ARG A 47 8.541 12.959 -12.763 1.00 42.55 H new ATOM 0 HD3 ARG A 47 9.157 14.582 -12.998 1.00 42.55 H new ATOM 0 HE ARG A 47 11.320 13.165 -11.970 1.00 35.51 H new ATOM 0 HH11 ARG A 47 9.133 12.688 -14.731 1.00 40.54 H new ATOM 0 HH12 ARG A 47 10.393 11.977 -15.744 1.00 40.54 H new ATOM 0 HH21 ARG A 47 12.920 12.294 -13.290 1.00 43.45 H new ATOM 0 HH22 ARG A 47 12.533 11.755 -14.927 1.00 43.45 H new ATOM 680 N ARG A 48 8.362 13.216 -7.773 1.00 1.12 N ATOM 681 CA ARG A 48 8.455 12.156 -6.833 1.00 12.31 C ATOM 682 C ARG A 48 8.790 12.766 -5.521 1.00 41.12 C ATOM 683 O ARG A 48 9.869 13.316 -5.346 1.00 65.22 O ATOM 684 CB ARG A 48 9.508 11.113 -7.189 1.00 30.13 C ATOM 685 CG ARG A 48 9.185 10.258 -8.388 1.00 0.53 C ATOM 686 CD ARG A 48 10.181 9.129 -8.506 1.00 14.43 C ATOM 687 NE ARG A 48 9.901 8.269 -9.650 1.00 21.21 N ATOM 688 CZ ARG A 48 10.235 6.980 -9.754 1.00 44.41 C ATOM 689 NH1 ARG A 48 10.634 6.291 -8.684 1.00 12.51 N ATOM 690 NH2 ARG A 48 10.063 6.361 -10.909 1.00 43.14 N ATOM 0 H ARG A 48 9.214 13.771 -7.852 1.00 1.12 H new ATOM 0 HA ARG A 48 7.502 11.626 -6.819 1.00 12.31 H new ATOM 0 HB2 ARG A 48 10.454 11.623 -7.371 1.00 30.13 H new ATOM 0 HB3 ARG A 48 9.657 10.462 -6.328 1.00 30.13 H new ATOM 0 HG2 ARG A 48 8.176 9.855 -8.295 1.00 0.53 H new ATOM 0 HG3 ARG A 48 9.204 10.865 -9.293 1.00 0.53 H new ATOM 0 HD2 ARG A 48 11.186 9.541 -8.600 1.00 14.43 H new ATOM 0 HD3 ARG A 48 10.164 8.534 -7.593 1.00 14.43 H new ATOM 0 HE ARG A 48 9.408 8.688 -10.438 1.00 21.21 H new ATOM 0 HH11 ARG A 48 10.687 6.748 -7.774 1.00 12.51 H new ATOM 0 HH12 ARG A 48 10.886 5.307 -8.776 1.00 12.51 H new ATOM 0 HH21 ARG A 48 9.679 6.868 -11.707 1.00 43.14 H new ATOM 0 HH22 ARG A 48 10.314 5.377 -11.002 1.00 43.14 H new ATOM 704 N HIS A 49 7.843 12.771 -4.664 1.00 54.42 N ATOM 705 CA HIS A 49 8.011 13.275 -3.324 1.00 70.12 C ATOM 706 C HIS A 49 8.110 12.100 -2.394 1.00 44.11 C ATOM 707 O HIS A 49 8.823 12.121 -1.405 1.00 32.25 O ATOM 708 CB HIS A 49 6.822 14.172 -2.953 1.00 23.22 C ATOM 709 CG HIS A 49 6.826 14.693 -1.541 1.00 11.12 C ATOM 710 ND1 HIS A 49 7.213 15.970 -1.247 1.00 60.12 N ATOM 711 CD2 HIS A 49 6.482 14.056 -0.395 1.00 24.11 C ATOM 712 CE1 HIS A 49 7.099 16.075 0.070 1.00 3.34 C ATOM 713 NE2 HIS A 49 6.663 14.938 0.620 1.00 65.05 N ATOM 0 H HIS A 49 6.905 12.422 -4.861 1.00 54.42 H new ATOM 0 HA HIS A 49 8.917 13.876 -3.249 1.00 70.12 H new ATOM 0 HB2 HIS A 49 6.801 15.021 -3.636 1.00 23.22 H new ATOM 0 HB3 HIS A 49 5.901 13.611 -3.113 1.00 23.22 H new ATOM 0 HD2 HIS A 49 6.130 13.039 -0.307 1.00 24.11 H new ATOM 0 HE1 HIS A 49 7.330 16.970 0.629 1.00 3.34 H new ATOM 0 HE2 HIS A 49 6.498 14.766 1.612 1.00 65.05 H new ATOM 721 N LEU A 50 7.384 11.081 -2.724 1.00 4.22 N ATOM 722 CA LEU A 50 7.350 9.886 -1.959 1.00 2.04 C ATOM 723 C LEU A 50 6.713 8.818 -2.797 1.00 2.43 C ATOM 724 O LEU A 50 5.821 9.098 -3.578 1.00 34.04 O ATOM 725 CB LEU A 50 6.602 10.137 -0.619 1.00 71.53 C ATOM 726 CG LEU A 50 6.389 8.945 0.316 1.00 62.44 C ATOM 727 CD1 LEU A 50 6.288 9.447 1.737 1.00 52.20 C ATOM 728 CD2 LEU A 50 5.097 8.227 -0.033 1.00 42.43 C ATOM 0 H LEU A 50 6.787 11.060 -3.551 1.00 4.22 H new ATOM 0 HA LEU A 50 8.353 9.555 -1.690 1.00 2.04 H new ATOM 0 HB2 LEU A 50 7.151 10.901 -0.068 1.00 71.53 H new ATOM 0 HB3 LEU A 50 5.624 10.556 -0.855 1.00 71.53 H new ATOM 0 HG LEU A 50 7.227 8.257 0.208 1.00 62.44 H new ATOM 0 HD11 LEU A 50 6.136 8.604 2.411 1.00 52.20 H new ATOM 0 HD12 LEU A 50 7.208 9.965 2.006 1.00 52.20 H new ATOM 0 HD13 LEU A 50 5.447 10.135 1.821 1.00 52.20 H new ATOM 0 HD21 LEU A 50 4.958 7.381 0.640 1.00 42.43 H new ATOM 0 HD22 LEU A 50 4.258 8.916 0.071 1.00 42.43 H new ATOM 0 HD23 LEU A 50 5.146 7.868 -1.061 1.00 42.43 H new ATOM 740 N GLU A 51 7.195 7.637 -2.679 1.00 44.31 N ATOM 741 CA GLU A 51 6.678 6.524 -3.408 1.00 20.24 C ATOM 742 C GLU A 51 6.426 5.347 -2.491 1.00 20.54 C ATOM 743 O GLU A 51 7.263 4.987 -1.659 1.00 61.51 O ATOM 744 CB GLU A 51 7.595 6.168 -4.580 1.00 23.24 C ATOM 745 CG GLU A 51 9.074 6.126 -4.227 1.00 42.50 C ATOM 746 CD GLU A 51 9.954 5.848 -5.418 1.00 72.20 C ATOM 747 OE1 GLU A 51 10.393 6.801 -6.095 1.00 52.33 O ATOM 748 OE2 GLU A 51 10.232 4.660 -5.695 1.00 11.20 O ATOM 0 H GLU A 51 7.974 7.405 -2.063 1.00 44.31 H new ATOM 0 HA GLU A 51 5.714 6.804 -3.833 1.00 20.24 H new ATOM 0 HB2 GLU A 51 7.300 5.196 -4.975 1.00 23.24 H new ATOM 0 HB3 GLU A 51 7.444 6.895 -5.378 1.00 23.24 H new ATOM 0 HG2 GLU A 51 9.363 7.078 -3.782 1.00 42.50 H new ATOM 0 HG3 GLU A 51 9.240 5.358 -3.472 1.00 42.50 H new ATOM 755 N ILE A 52 5.252 4.804 -2.593 1.00 64.41 N ATOM 756 CA ILE A 52 4.876 3.665 -1.811 1.00 45.45 C ATOM 757 C ILE A 52 4.876 2.442 -2.695 1.00 71.12 C ATOM 758 O ILE A 52 4.016 2.305 -3.563 1.00 52.25 O ATOM 759 CB ILE A 52 3.460 3.822 -1.199 1.00 64.00 C ATOM 760 CG1 ILE A 52 3.390 5.059 -0.294 1.00 0.02 C ATOM 761 CG2 ILE A 52 3.087 2.562 -0.425 1.00 63.11 C ATOM 762 CD1 ILE A 52 2.011 5.342 0.274 1.00 34.30 C ATOM 0 H ILE A 52 4.524 5.139 -3.224 1.00 64.41 H new ATOM 0 HA ILE A 52 5.594 3.570 -0.997 1.00 45.45 H new ATOM 0 HB ILE A 52 2.743 3.962 -2.008 1.00 64.00 H new ATOM 0 HG12 ILE A 52 4.090 4.931 0.531 1.00 0.02 H new ATOM 0 HG13 ILE A 52 3.722 5.929 -0.861 1.00 0.02 H new ATOM 0 HG21 ILE A 52 2.091 2.679 0.002 1.00 63.11 H new ATOM 0 HG22 ILE A 52 3.094 1.705 -1.099 1.00 63.11 H new ATOM 0 HG23 ILE A 52 3.809 2.400 0.376 1.00 63.11 H new ATOM 0 HD11 ILE A 52 2.052 6.232 0.901 1.00 34.30 H new ATOM 0 HD12 ILE A 52 1.308 5.505 -0.543 1.00 34.30 H new ATOM 0 HD13 ILE A 52 1.682 4.492 0.872 1.00 34.30 H new ATOM 774 N ARG A 53 5.804 1.567 -2.490 1.00 64.54 N ATOM 775 CA ARG A 53 5.841 0.366 -3.257 1.00 3.44 C ATOM 776 C ARG A 53 5.051 -0.686 -2.551 1.00 31.11 C ATOM 777 O ARG A 53 5.433 -1.169 -1.480 1.00 3.34 O ATOM 778 CB ARG A 53 7.265 -0.141 -3.535 1.00 25.14 C ATOM 779 CG ARG A 53 7.262 -1.520 -4.197 1.00 32.24 C ATOM 780 CD ARG A 53 8.646 -2.066 -4.449 1.00 13.44 C ATOM 781 NE ARG A 53 8.575 -3.460 -4.913 1.00 55.40 N ATOM 782 CZ ARG A 53 9.304 -4.005 -5.893 1.00 23.34 C ATOM 783 NH1 ARG A 53 10.183 -3.271 -6.589 1.00 54.43 N ATOM 784 NH2 ARG A 53 9.138 -5.290 -6.175 1.00 52.53 N ATOM 0 H ARG A 53 6.547 1.661 -1.798 1.00 64.54 H new ATOM 0 HA ARG A 53 5.405 0.591 -4.230 1.00 3.44 H new ATOM 0 HB2 ARG A 53 7.784 0.569 -4.179 1.00 25.14 H new ATOM 0 HB3 ARG A 53 7.822 -0.189 -2.599 1.00 25.14 H new ATOM 0 HG2 ARG A 53 6.714 -2.218 -3.564 1.00 32.24 H new ATOM 0 HG3 ARG A 53 6.725 -1.459 -5.144 1.00 32.24 H new ATOM 0 HD2 ARG A 53 9.154 -1.454 -5.194 1.00 13.44 H new ATOM 0 HD3 ARG A 53 9.237 -2.011 -3.535 1.00 13.44 H new ATOM 0 HE ARG A 53 7.906 -4.069 -4.442 1.00 55.40 H new ATOM 0 HH11 ARG A 53 10.304 -2.281 -6.374 1.00 54.43 H new ATOM 0 HH12 ARG A 53 10.731 -3.702 -7.333 1.00 54.43 H new ATOM 0 HH21 ARG A 53 8.464 -5.845 -5.648 1.00 52.53 H new ATOM 0 HH22 ARG A 53 9.685 -5.724 -6.919 1.00 52.53 H new ATOM 798 N TRP A 54 3.953 -1.016 -3.119 1.00 15.12 N ATOM 799 CA TRP A 54 3.137 -2.024 -2.591 1.00 15.25 C ATOM 800 C TRP A 54 3.483 -3.317 -3.281 1.00 21.45 C ATOM 801 O TRP A 54 3.227 -3.511 -4.488 1.00 14.22 O ATOM 802 CB TRP A 54 1.649 -1.666 -2.705 1.00 43.53 C ATOM 803 CG TRP A 54 0.714 -2.801 -2.322 1.00 42.11 C ATOM 804 CD1 TRP A 54 -0.260 -3.350 -3.096 1.00 1.11 C ATOM 805 CD2 TRP A 54 0.698 -3.545 -1.086 1.00 40.53 C ATOM 806 NE1 TRP A 54 -0.879 -4.379 -2.429 1.00 33.41 N ATOM 807 CE2 TRP A 54 -0.312 -4.519 -1.198 1.00 75.03 C ATOM 808 CE3 TRP A 54 1.436 -3.484 0.095 1.00 35.22 C ATOM 809 CZ2 TRP A 54 -0.599 -5.421 -0.175 1.00 14.05 C ATOM 810 CZ3 TRP A 54 1.150 -4.378 1.110 1.00 33.33 C ATOM 811 CH2 TRP A 54 0.142 -5.335 0.968 1.00 4.41 C ATOM 0 H TRP A 54 3.598 -0.585 -3.973 1.00 15.12 H new ATOM 0 HA TRP A 54 3.321 -2.135 -1.522 1.00 15.25 H new ATOM 0 HB2 TRP A 54 1.442 -0.806 -2.068 1.00 43.53 H new ATOM 0 HB3 TRP A 54 1.436 -1.362 -3.730 1.00 43.53 H new ATOM 0 HD1 TRP A 54 -0.511 -3.023 -4.094 1.00 1.11 H new ATOM 0 HE1 TRP A 54 -1.642 -4.948 -2.797 1.00 33.41 H new ATOM 0 HE3 TRP A 54 2.219 -2.750 0.215 1.00 35.22 H new ATOM 0 HZ2 TRP A 54 -1.379 -6.160 -0.283 1.00 14.05 H new ATOM 0 HZ3 TRP A 54 1.716 -4.336 2.029 1.00 33.33 H new ATOM 0 HH2 TRP A 54 -0.055 -6.021 1.779 1.00 4.41 H new ATOM 822 N ASP A 55 4.128 -4.149 -2.543 1.00 71.34 N ATOM 823 CA ASP A 55 4.557 -5.427 -3.008 1.00 64.44 C ATOM 824 C ASP A 55 3.771 -6.426 -2.196 1.00 21.25 C ATOM 825 O ASP A 55 3.379 -6.103 -1.070 1.00 54.32 O ATOM 826 CB ASP A 55 6.068 -5.574 -2.745 1.00 22.15 C ATOM 827 CG ASP A 55 6.711 -6.735 -3.466 1.00 51.52 C ATOM 828 OD1 ASP A 55 6.738 -7.865 -2.926 1.00 13.24 O ATOM 829 OD2 ASP A 55 7.227 -6.530 -4.579 1.00 44.41 O ATOM 0 H ASP A 55 4.380 -3.958 -1.573 1.00 71.34 H new ATOM 0 HA ASP A 55 4.393 -5.570 -4.076 1.00 64.44 H new ATOM 0 HB2 ASP A 55 6.569 -4.653 -3.043 1.00 22.15 H new ATOM 0 HB3 ASP A 55 6.229 -5.692 -1.673 1.00 22.15 H new ATOM 834 N GLY A 56 3.523 -7.603 -2.723 1.00 52.34 N ATOM 835 CA GLY A 56 2.737 -8.603 -2.004 1.00 34.32 C ATOM 836 C GLY A 56 3.527 -9.264 -0.882 1.00 3.03 C ATOM 837 O GLY A 56 3.690 -10.483 -0.853 1.00 23.43 O ATOM 0 H GLY A 56 3.849 -7.899 -3.643 1.00 52.34 H new ATOM 0 HA2 GLY A 56 1.846 -8.132 -1.589 1.00 34.32 H new ATOM 0 HA3 GLY A 56 2.397 -9.366 -2.704 1.00 34.32 H new ATOM 841 N GLN A 57 4.009 -8.453 0.020 1.00 45.23 N ATOM 842 CA GLN A 57 4.793 -8.873 1.142 1.00 44.43 C ATOM 843 C GLN A 57 4.715 -7.775 2.188 1.00 13.41 C ATOM 844 O GLN A 57 4.205 -7.978 3.289 1.00 54.21 O ATOM 845 CB GLN A 57 6.254 -9.100 0.705 1.00 65.04 C ATOM 846 CG GLN A 57 7.156 -9.700 1.774 1.00 11.35 C ATOM 847 CD GLN A 57 8.563 -9.935 1.265 1.00 74.13 C ATOM 848 OE1 GLN A 57 8.863 -10.992 0.715 1.00 51.34 O ATOM 849 NE2 GLN A 57 9.437 -8.991 1.468 1.00 22.13 N ATOM 0 H GLN A 57 3.859 -7.445 -0.010 1.00 45.23 H new ATOM 0 HA GLN A 57 4.417 -9.811 1.550 1.00 44.43 H new ATOM 0 HB2 GLN A 57 6.260 -9.756 -0.165 1.00 65.04 H new ATOM 0 HB3 GLN A 57 6.676 -8.146 0.388 1.00 65.04 H new ATOM 0 HG2 GLN A 57 7.189 -9.033 2.636 1.00 11.35 H new ATOM 0 HG3 GLN A 57 6.733 -10.644 2.117 1.00 11.35 H new ATOM 0 HE21 GLN A 57 9.155 -8.125 1.928 1.00 22.13 H new ATOM 0 HE22 GLN A 57 10.403 -9.117 1.167 1.00 22.13 H new ATOM 858 N VAL A 58 5.173 -6.592 1.809 1.00 1.21 N ATOM 859 CA VAL A 58 5.181 -5.428 2.681 1.00 1.42 C ATOM 860 C VAL A 58 4.888 -4.176 1.875 1.00 64.43 C ATOM 861 O VAL A 58 5.085 -4.155 0.646 1.00 40.43 O ATOM 862 CB VAL A 58 6.551 -5.226 3.427 1.00 15.31 C ATOM 863 CG1 VAL A 58 6.817 -6.337 4.427 1.00 12.35 C ATOM 864 CG2 VAL A 58 7.713 -5.121 2.434 1.00 21.51 C ATOM 0 H VAL A 58 5.553 -6.411 0.880 1.00 1.21 H new ATOM 0 HA VAL A 58 4.411 -5.603 3.433 1.00 1.42 H new ATOM 0 HB VAL A 58 6.477 -4.288 3.977 1.00 15.31 H new ATOM 0 HG11 VAL A 58 7.773 -6.161 4.921 1.00 12.35 H new ATOM 0 HG12 VAL A 58 6.021 -6.354 5.172 1.00 12.35 H new ATOM 0 HG13 VAL A 58 6.848 -7.295 3.907 1.00 12.35 H new ATOM 0 HG21 VAL A 58 8.646 -4.982 2.980 1.00 21.51 H new ATOM 0 HG22 VAL A 58 7.771 -6.035 1.843 1.00 21.51 H new ATOM 0 HG23 VAL A 58 7.550 -4.271 1.772 1.00 21.51 H new ATOM 874 N ALA A 59 4.410 -3.166 2.546 1.00 33.20 N ATOM 875 CA ALA A 59 4.175 -1.887 1.943 1.00 71.34 C ATOM 876 C ALA A 59 5.389 -1.023 2.204 1.00 71.13 C ATOM 877 O ALA A 59 5.601 -0.529 3.319 1.00 11.20 O ATOM 878 CB ALA A 59 2.919 -1.254 2.513 1.00 12.21 C ATOM 0 H ALA A 59 4.171 -3.209 3.537 1.00 33.20 H new ATOM 0 HA ALA A 59 4.021 -1.993 0.869 1.00 71.34 H new ATOM 0 HB1 ALA A 59 2.756 -0.284 2.044 1.00 12.21 H new ATOM 0 HB2 ALA A 59 2.064 -1.901 2.316 1.00 12.21 H new ATOM 0 HB3 ALA A 59 3.034 -1.122 3.589 1.00 12.21 H new ATOM 884 N LEU A 60 6.194 -0.886 1.201 1.00 11.52 N ATOM 885 CA LEU A 60 7.443 -0.186 1.299 1.00 61.41 C ATOM 886 C LEU A 60 7.218 1.304 1.091 1.00 5.33 C ATOM 887 O LEU A 60 6.770 1.739 0.036 1.00 12.45 O ATOM 888 CB LEU A 60 8.439 -0.806 0.283 1.00 4.02 C ATOM 889 CG LEU A 60 9.895 -0.280 0.223 1.00 30.22 C ATOM 890 CD1 LEU A 60 10.755 -1.290 -0.513 1.00 63.22 C ATOM 891 CD2 LEU A 60 9.980 1.050 -0.518 1.00 72.51 C ATOM 0 H LEU A 60 6.003 -1.262 0.272 1.00 11.52 H new ATOM 0 HA LEU A 60 7.878 -0.293 2.293 1.00 61.41 H new ATOM 0 HB2 LEU A 60 8.487 -1.876 0.484 1.00 4.02 H new ATOM 0 HB3 LEU A 60 8.008 -0.687 -0.711 1.00 4.02 H new ATOM 0 HG LEU A 60 10.243 -0.134 1.246 1.00 30.22 H new ATOM 0 HD11 LEU A 60 11.782 -0.928 -0.560 1.00 63.22 H new ATOM 0 HD12 LEU A 60 10.730 -2.243 0.016 1.00 63.22 H new ATOM 0 HD13 LEU A 60 10.372 -1.426 -1.524 1.00 63.22 H new ATOM 0 HD21 LEU A 60 11.016 1.388 -0.540 1.00 72.51 H new ATOM 0 HD22 LEU A 60 9.618 0.922 -1.538 1.00 72.51 H new ATOM 0 HD23 LEU A 60 9.367 1.792 -0.006 1.00 72.51 H new ATOM 903 N LEU A 61 7.504 2.057 2.101 1.00 0.44 N ATOM 904 CA LEU A 61 7.360 3.483 2.080 1.00 62.43 C ATOM 905 C LEU A 61 8.730 4.087 1.821 1.00 2.44 C ATOM 906 O LEU A 61 9.669 3.849 2.588 1.00 23.32 O ATOM 907 CB LEU A 61 6.770 3.926 3.456 1.00 43.40 C ATOM 908 CG LEU A 61 6.437 5.420 3.737 1.00 63.00 C ATOM 909 CD1 LEU A 61 7.666 6.325 3.814 1.00 21.40 C ATOM 910 CD2 LEU A 61 5.444 5.935 2.725 1.00 74.52 C ATOM 0 H LEU A 61 7.853 1.693 2.988 1.00 0.44 H new ATOM 0 HA LEU A 61 6.684 3.822 1.295 1.00 62.43 H new ATOM 0 HB2 LEU A 61 5.851 3.359 3.608 1.00 43.40 H new ATOM 0 HB3 LEU A 61 7.473 3.605 4.224 1.00 43.40 H new ATOM 0 HG LEU A 61 5.991 5.453 4.731 1.00 63.00 H new ATOM 0 HD11 LEU A 61 7.351 7.350 4.012 1.00 21.40 H new ATOM 0 HD12 LEU A 61 8.319 5.984 4.617 1.00 21.40 H new ATOM 0 HD13 LEU A 61 8.205 6.288 2.867 1.00 21.40 H new ATOM 0 HD21 LEU A 61 5.221 6.981 2.934 1.00 74.52 H new ATOM 0 HD22 LEU A 61 5.866 5.847 1.724 1.00 74.52 H new ATOM 0 HD23 LEU A 61 4.527 5.349 2.785 1.00 74.52 H new ATOM 922 N ALA A 62 8.857 4.815 0.738 1.00 71.35 N ATOM 923 CA ALA A 62 10.097 5.476 0.414 1.00 64.25 C ATOM 924 C ALA A 62 9.853 6.952 0.143 1.00 1.42 C ATOM 925 O ALA A 62 9.085 7.315 -0.733 1.00 63.21 O ATOM 926 CB ALA A 62 10.769 4.812 -0.778 1.00 34.41 C ATOM 0 H ALA A 62 8.109 4.965 0.061 1.00 71.35 H new ATOM 0 HA ALA A 62 10.768 5.388 1.269 1.00 64.25 H new ATOM 0 HB1 ALA A 62 11.702 5.328 -1.004 1.00 34.41 H new ATOM 0 HB2 ALA A 62 10.979 3.769 -0.543 1.00 34.41 H new ATOM 0 HB3 ALA A 62 10.108 4.863 -1.643 1.00 34.41 H new ATOM 932 N ASP A 63 10.480 7.775 0.916 1.00 1.24 N ATOM 933 CA ASP A 63 10.405 9.222 0.791 1.00 41.23 C ATOM 934 C ASP A 63 11.430 9.690 -0.212 1.00 40.21 C ATOM 935 O ASP A 63 12.564 9.188 -0.236 1.00 71.43 O ATOM 936 CB ASP A 63 10.672 9.872 2.152 1.00 60.34 C ATOM 937 CG ASP A 63 10.892 11.373 2.086 1.00 72.31 C ATOM 938 OD1 ASP A 63 12.068 11.798 1.945 1.00 0.52 O ATOM 939 OD2 ASP A 63 9.919 12.137 2.210 1.00 1.31 O ATOM 0 H ASP A 63 11.081 7.466 1.680 1.00 1.24 H new ATOM 0 HA ASP A 63 9.410 9.508 0.451 1.00 41.23 H new ATOM 0 HB2 ASP A 63 9.830 9.667 2.813 1.00 60.34 H new ATOM 0 HB3 ASP A 63 11.549 9.406 2.600 1.00 60.34 H new ATOM 944 N LEU A 64 11.055 10.621 -1.033 1.00 1.04 N ATOM 945 CA LEU A 64 11.930 11.134 -2.037 1.00 61.00 C ATOM 946 C LEU A 64 11.843 12.673 -1.986 1.00 75.31 C ATOM 947 O LEU A 64 11.185 13.294 -2.822 1.00 53.23 O ATOM 948 CB LEU A 64 11.418 10.607 -3.411 1.00 2.52 C ATOM 949 CG LEU A 64 12.367 10.553 -4.639 1.00 12.03 C ATOM 950 CD1 LEU A 64 13.024 11.884 -4.962 1.00 30.23 C ATOM 951 CD2 LEU A 64 13.392 9.439 -4.503 1.00 10.31 C ATOM 0 H LEU A 64 10.129 11.048 -1.024 1.00 1.04 H new ATOM 0 HA LEU A 64 12.964 10.823 -1.887 1.00 61.00 H new ATOM 0 HB2 LEU A 64 11.045 9.596 -3.249 1.00 2.52 H new ATOM 0 HB3 LEU A 64 10.563 11.221 -3.692 1.00 2.52 H new ATOM 0 HG LEU A 64 11.732 10.325 -5.495 1.00 12.03 H new ATOM 0 HD11 LEU A 64 13.672 11.769 -5.831 1.00 30.23 H new ATOM 0 HD12 LEU A 64 12.256 12.626 -5.179 1.00 30.23 H new ATOM 0 HD13 LEU A 64 13.617 12.214 -4.109 1.00 30.23 H new ATOM 0 HD21 LEU A 64 14.039 9.431 -5.380 1.00 10.31 H new ATOM 0 HD22 LEU A 64 13.994 9.605 -3.610 1.00 10.31 H new ATOM 0 HD23 LEU A 64 12.879 8.481 -4.422 1.00 10.31 H new ATOM 963 N ASN A 65 12.483 13.287 -1.009 1.00 50.31 N ATOM 964 CA ASN A 65 12.483 14.742 -0.929 1.00 2.15 C ATOM 965 C ASN A 65 13.542 15.205 0.053 1.00 22.33 C ATOM 966 O ASN A 65 13.874 14.491 0.995 1.00 43.24 O ATOM 967 CB ASN A 65 11.105 15.287 -0.516 1.00 44.03 C ATOM 968 CG ASN A 65 10.922 16.729 -0.946 1.00 41.52 C ATOM 969 OD1 ASN A 65 11.272 17.657 -0.236 1.00 43.01 O ATOM 970 ND2 ASN A 65 10.365 16.921 -2.109 1.00 14.31 N ATOM 0 H ASN A 65 13.002 12.814 -0.269 1.00 50.31 H new ATOM 0 HA ASN A 65 12.711 15.132 -1.921 1.00 2.15 H new ATOM 0 HB2 ASN A 65 10.322 14.672 -0.960 1.00 44.03 H new ATOM 0 HB3 ASN A 65 10.993 15.213 0.566 1.00 44.03 H new ATOM 0 HD21 ASN A 65 10.210 17.870 -2.450 1.00 14.31 H new ATOM 0 HD22 ASN A 65 10.084 16.122 -2.678 1.00 14.31 H new ATOM 977 N SER A 66 14.091 16.368 -0.169 1.00 41.25 N ATOM 978 CA SER A 66 15.135 16.893 0.685 1.00 13.42 C ATOM 979 C SER A 66 14.619 18.065 1.552 1.00 60.35 C ATOM 980 O SER A 66 15.074 18.276 2.670 1.00 15.33 O ATOM 981 CB SER A 66 16.298 17.338 -0.198 1.00 51.11 C ATOM 982 OG SER A 66 16.686 16.267 -1.070 1.00 23.43 O ATOM 0 H SER A 66 13.832 16.981 -0.942 1.00 41.25 H new ATOM 0 HA SER A 66 15.467 16.116 1.373 1.00 13.42 H new ATOM 0 HB2 SER A 66 16.008 18.209 -0.785 1.00 51.11 H new ATOM 0 HB3 SER A 66 17.143 17.638 0.422 1.00 51.11 H new ATOM 0 HG SER A 66 17.431 16.559 -1.635 1.00 23.43 H new ATOM 988 N THR A 67 13.664 18.792 1.034 1.00 51.13 N ATOM 989 CA THR A 67 13.105 19.947 1.710 1.00 62.41 C ATOM 990 C THR A 67 11.929 19.564 2.618 1.00 32.22 C ATOM 991 O THR A 67 11.982 19.680 3.842 1.00 65.41 O ATOM 992 CB THR A 67 12.633 20.970 0.634 1.00 23.30 C ATOM 993 OG1 THR A 67 13.765 21.501 -0.084 1.00 40.14 O ATOM 994 CG2 THR A 67 11.763 22.100 1.209 1.00 61.10 C ATOM 0 H THR A 67 13.245 18.603 0.124 1.00 51.13 H new ATOM 0 HA THR A 67 13.875 20.385 2.346 1.00 62.41 H new ATOM 0 HB THR A 67 11.994 20.424 -0.059 1.00 23.30 H new ATOM 0 HG1 THR A 67 13.454 22.141 -0.758 1.00 40.14 H new ATOM 0 HG21 THR A 67 11.469 22.777 0.407 1.00 61.10 H new ATOM 0 HG22 THR A 67 10.872 21.674 1.670 1.00 61.10 H new ATOM 0 HG23 THR A 67 12.331 22.651 1.958 1.00 61.10 H new ATOM 1002 N ASN A 68 10.947 19.020 2.006 1.00 72.22 N ATOM 1003 CA ASN A 68 9.651 18.780 2.576 1.00 22.32 C ATOM 1004 C ASN A 68 9.505 17.295 2.905 1.00 63.53 C ATOM 1005 O ASN A 68 8.409 16.736 2.904 1.00 43.13 O ATOM 1006 CB ASN A 68 8.644 19.281 1.537 1.00 14.40 C ATOM 1007 CG ASN A 68 7.196 19.236 1.936 1.00 54.23 C ATOM 1008 OD1 ASN A 68 6.840 19.275 3.112 1.00 71.54 O ATOM 1009 ND2 ASN A 68 6.360 19.237 0.950 1.00 60.22 N ATOM 0 H ASN A 68 11.016 18.707 1.038 1.00 72.22 H new ATOM 0 HA ASN A 68 9.487 19.303 3.518 1.00 22.32 H new ATOM 0 HB2 ASN A 68 8.897 20.311 1.284 1.00 14.40 H new ATOM 0 HB3 ASN A 68 8.767 18.690 0.629 1.00 14.40 H new ATOM 0 HD21 ASN A 68 5.357 19.271 1.132 1.00 60.22 H new ATOM 0 HD22 ASN A 68 6.703 19.204 -0.010 1.00 60.22 H new ATOM 1016 N GLY A 69 10.662 16.683 3.187 1.00 10.34 N ATOM 1017 CA GLY A 69 10.768 15.273 3.538 1.00 2.14 C ATOM 1018 C GLY A 69 9.724 14.813 4.543 1.00 54.00 C ATOM 1019 O GLY A 69 9.411 15.522 5.532 1.00 52.01 O ATOM 0 H GLY A 69 11.560 17.166 3.176 1.00 10.34 H new ATOM 0 HA2 GLY A 69 10.676 14.674 2.632 1.00 2.14 H new ATOM 0 HA3 GLY A 69 11.761 15.083 3.946 1.00 2.14 H new ATOM 1023 N THR A 70 9.221 13.657 4.303 1.00 51.42 N ATOM 1024 CA THR A 70 8.126 13.094 5.026 1.00 42.12 C ATOM 1025 C THR A 70 8.579 12.402 6.342 1.00 53.44 C ATOM 1026 O THR A 70 9.745 12.006 6.493 1.00 30.53 O ATOM 1027 CB THR A 70 7.455 12.079 4.096 1.00 24.21 C ATOM 1028 OG1 THR A 70 7.319 12.674 2.788 1.00 63.33 O ATOM 1029 CG2 THR A 70 6.093 11.689 4.605 1.00 12.14 C ATOM 0 H THR A 70 9.573 13.046 3.566 1.00 51.42 H new ATOM 0 HA THR A 70 7.438 13.886 5.322 1.00 42.12 H new ATOM 0 HB THR A 70 8.072 11.181 4.053 1.00 24.21 H new ATOM 0 HG1 THR A 70 8.155 12.563 2.289 1.00 63.33 H new ATOM 0 HG21 THR A 70 5.643 10.968 3.923 1.00 12.14 H new ATOM 0 HG22 THR A 70 6.189 11.242 5.595 1.00 12.14 H new ATOM 0 HG23 THR A 70 5.460 12.574 4.666 1.00 12.14 H new ATOM 1037 N THR A 71 7.662 12.302 7.288 1.00 12.32 N ATOM 1038 CA THR A 71 7.902 11.635 8.540 1.00 35.12 C ATOM 1039 C THR A 71 6.951 10.463 8.702 1.00 61.21 C ATOM 1040 O THR A 71 5.854 10.457 8.128 1.00 34.32 O ATOM 1041 CB THR A 71 7.690 12.593 9.725 1.00 54.33 C ATOM 1042 OG1 THR A 71 6.412 13.229 9.624 1.00 23.22 O ATOM 1043 CG2 THR A 71 8.772 13.627 9.788 1.00 65.13 C ATOM 0 H THR A 71 6.722 12.688 7.200 1.00 12.32 H new ATOM 0 HA THR A 71 8.935 11.286 8.533 1.00 35.12 H new ATOM 0 HB THR A 71 7.728 12.005 10.642 1.00 54.33 H new ATOM 0 HG1 THR A 71 6.351 13.947 10.288 1.00 23.22 H new ATOM 0 HG21 THR A 71 8.594 14.289 10.636 1.00 65.13 H new ATOM 0 HG22 THR A 71 9.738 13.136 9.907 1.00 65.13 H new ATOM 0 HG23 THR A 71 8.773 14.210 8.867 1.00 65.13 H new ATOM 1051 N VAL A 72 7.360 9.486 9.463 1.00 1.14 N ATOM 1052 CA VAL A 72 6.522 8.367 9.787 1.00 54.11 C ATOM 1053 C VAL A 72 6.293 8.378 11.281 1.00 13.23 C ATOM 1054 O VAL A 72 7.247 8.339 12.073 1.00 23.12 O ATOM 1055 CB VAL A 72 7.120 7.010 9.320 1.00 43.42 C ATOM 1056 CG1 VAL A 72 7.258 6.997 7.809 1.00 4.31 C ATOM 1057 CG2 VAL A 72 8.475 6.760 9.955 1.00 5.14 C ATOM 0 H VAL A 72 8.291 9.444 9.878 1.00 1.14 H new ATOM 0 HA VAL A 72 5.577 8.466 9.252 1.00 54.11 H new ATOM 0 HB VAL A 72 6.441 6.217 9.634 1.00 43.42 H new ATOM 0 HG11 VAL A 72 7.678 6.043 7.490 1.00 4.31 H new ATOM 0 HG12 VAL A 72 6.277 7.133 7.353 1.00 4.31 H new ATOM 0 HG13 VAL A 72 7.918 7.806 7.497 1.00 4.31 H new ATOM 0 HG21 VAL A 72 8.868 5.804 9.609 1.00 5.14 H new ATOM 0 HG22 VAL A 72 9.162 7.558 9.673 1.00 5.14 H new ATOM 0 HG23 VAL A 72 8.370 6.738 11.040 1.00 5.14 H new ATOM 1067 N ASN A 73 5.049 8.557 11.669 1.00 33.51 N ATOM 1068 CA ASN A 73 4.653 8.666 13.077 1.00 71.21 C ATOM 1069 C ASN A 73 5.321 9.894 13.698 1.00 51.20 C ATOM 1070 O ASN A 73 5.555 9.970 14.906 1.00 51.32 O ATOM 1071 CB ASN A 73 4.968 7.356 13.837 1.00 60.13 C ATOM 1072 CG ASN A 73 4.089 6.207 13.357 1.00 24.44 C ATOM 1073 OD1 ASN A 73 2.933 6.418 12.994 1.00 32.22 O ATOM 1074 ND2 ASN A 73 4.615 5.013 13.327 1.00 2.11 N ATOM 0 H ASN A 73 4.268 8.633 11.018 1.00 33.51 H new ATOM 0 HA ASN A 73 3.575 8.806 13.151 1.00 71.21 H new ATOM 0 HB2 ASN A 73 6.017 7.096 13.697 1.00 60.13 H new ATOM 0 HB3 ASN A 73 4.818 7.509 14.906 1.00 60.13 H new ATOM 0 HD21 ASN A 73 4.064 4.221 12.995 1.00 2.11 H new ATOM 0 HD22 ASN A 73 5.577 4.872 13.635 1.00 2.11 H new ATOM 1081 N ASN A 74 5.597 10.865 12.802 1.00 61.52 N ATOM 1082 CA ASN A 74 6.224 12.161 13.090 1.00 4.25 C ATOM 1083 C ASN A 74 7.746 12.005 13.346 1.00 62.02 C ATOM 1084 O ASN A 74 8.418 12.904 13.849 1.00 74.05 O ATOM 1085 CB ASN A 74 5.480 12.939 14.216 1.00 50.51 C ATOM 1086 CG ASN A 74 5.955 14.390 14.403 1.00 21.41 C ATOM 1087 OD1 ASN A 74 6.435 15.040 13.468 1.00 25.11 O ATOM 1088 ND2 ASN A 74 5.786 14.909 15.587 1.00 22.31 N ATOM 0 H ASN A 74 5.376 10.756 11.812 1.00 61.52 H new ATOM 0 HA ASN A 74 6.126 12.783 12.200 1.00 4.25 H new ATOM 0 HB2 ASN A 74 4.413 12.944 13.994 1.00 50.51 H new ATOM 0 HB3 ASN A 74 5.607 12.403 15.157 1.00 50.51 H new ATOM 0 HD21 ASN A 74 6.053 15.878 15.762 1.00 22.31 H new ATOM 0 HD22 ASN A 74 5.387 14.346 16.338 1.00 22.31 H new ATOM 1095 N ALA A 75 8.289 10.862 12.956 1.00 45.30 N ATOM 1096 CA ALA A 75 9.714 10.624 13.035 1.00 73.11 C ATOM 1097 C ALA A 75 10.304 10.710 11.627 1.00 14.31 C ATOM 1098 O ALA A 75 9.827 10.018 10.715 1.00 70.31 O ATOM 1099 CB ALA A 75 9.987 9.258 13.631 1.00 11.44 C ATOM 0 H ALA A 75 7.754 10.080 12.578 1.00 45.30 H new ATOM 0 HA ALA A 75 10.176 11.374 13.677 1.00 73.11 H new ATOM 0 HB1 ALA A 75 11.063 9.093 13.684 1.00 11.44 H new ATOM 0 HB2 ALA A 75 9.562 9.207 14.633 1.00 11.44 H new ATOM 0 HB3 ALA A 75 9.533 8.490 13.005 1.00 11.44 H new ATOM 1105 N PRO A 76 11.302 11.580 11.396 1.00 1.21 N ATOM 1106 CA PRO A 76 11.911 11.737 10.069 1.00 14.54 C ATOM 1107 C PRO A 76 12.815 10.571 9.687 1.00 1.04 C ATOM 1108 O PRO A 76 13.778 10.241 10.396 1.00 43.24 O ATOM 1109 CB PRO A 76 12.740 13.032 10.183 1.00 35.13 C ATOM 1110 CG PRO A 76 12.390 13.626 11.516 1.00 52.04 C ATOM 1111 CD PRO A 76 11.904 12.497 12.376 1.00 73.11 C ATOM 0 HA PRO A 76 11.146 11.771 9.293 1.00 14.54 H new ATOM 0 HB2 PRO A 76 13.807 12.820 10.118 1.00 35.13 H new ATOM 0 HB3 PRO A 76 12.502 13.721 9.373 1.00 35.13 H new ATOM 0 HG2 PRO A 76 13.258 14.108 11.965 1.00 52.04 H new ATOM 0 HG3 PRO A 76 11.620 14.390 11.409 1.00 52.04 H new ATOM 0 HD2 PRO A 76 12.720 12.025 12.924 1.00 73.11 H new ATOM 0 HD3 PRO A 76 11.177 12.835 13.115 1.00 73.11 H new ATOM 1119 N VAL A 77 12.508 9.983 8.550 1.00 51.24 N ATOM 1120 CA VAL A 77 13.228 8.869 7.945 1.00 2.34 C ATOM 1121 C VAL A 77 12.906 8.950 6.475 1.00 61.13 C ATOM 1122 O VAL A 77 12.019 9.728 6.100 1.00 72.42 O ATOM 1123 CB VAL A 77 12.742 7.453 8.459 1.00 32.15 C ATOM 1124 CG1 VAL A 77 12.959 7.251 9.957 1.00 73.40 C ATOM 1125 CG2 VAL A 77 11.283 7.218 8.097 1.00 2.24 C ATOM 0 H VAL A 77 11.709 10.280 7.990 1.00 51.24 H new ATOM 0 HA VAL A 77 14.287 8.949 8.191 1.00 2.34 H new ATOM 0 HB VAL A 77 13.362 6.714 7.951 1.00 32.15 H new ATOM 0 HG11 VAL A 77 12.605 6.261 10.246 1.00 73.40 H new ATOM 0 HG12 VAL A 77 14.021 7.338 10.186 1.00 73.40 H new ATOM 0 HG13 VAL A 77 12.406 8.010 10.510 1.00 73.40 H new ATOM 0 HG21 VAL A 77 10.971 6.239 8.460 1.00 2.24 H new ATOM 0 HG22 VAL A 77 10.665 7.989 8.557 1.00 2.24 H new ATOM 0 HG23 VAL A 77 11.166 7.257 7.014 1.00 2.24 H new ATOM 1135 N GLN A 78 13.581 8.200 5.652 1.00 71.43 N ATOM 1136 CA GLN A 78 13.223 8.181 4.258 1.00 21.21 C ATOM 1137 C GLN A 78 12.675 6.843 3.819 1.00 33.32 C ATOM 1138 O GLN A 78 12.228 6.700 2.699 1.00 33.22 O ATOM 1139 CB GLN A 78 14.333 8.645 3.330 1.00 63.14 C ATOM 1140 CG GLN A 78 14.728 10.091 3.524 1.00 74.23 C ATOM 1141 CD GLN A 78 15.500 10.623 2.346 1.00 73.03 C ATOM 1142 OE1 GLN A 78 16.732 10.531 2.288 1.00 15.44 O ATOM 1143 NE2 GLN A 78 14.796 11.194 1.399 1.00 55.11 N ATOM 0 H GLN A 78 14.367 7.604 5.911 1.00 71.43 H new ATOM 0 HA GLN A 78 12.423 8.916 4.171 1.00 21.21 H new ATOM 0 HB2 GLN A 78 15.209 8.015 3.484 1.00 63.14 H new ATOM 0 HB3 GLN A 78 14.014 8.501 2.298 1.00 63.14 H new ATOM 0 HG2 GLN A 78 13.833 10.695 3.675 1.00 74.23 H new ATOM 0 HG3 GLN A 78 15.332 10.185 4.427 1.00 74.23 H new ATOM 0 HE21 GLN A 78 13.781 11.251 1.482 1.00 55.11 H new ATOM 0 HE22 GLN A 78 15.263 11.581 0.579 1.00 55.11 H new ATOM 1152 N GLU A 79 12.709 5.861 4.685 1.00 32.53 N ATOM 1153 CA GLU A 79 12.157 4.572 4.342 1.00 73.42 C ATOM 1154 C GLU A 79 11.658 3.834 5.555 1.00 33.03 C ATOM 1155 O GLU A 79 12.268 3.889 6.631 1.00 14.30 O ATOM 1156 CB GLU A 79 13.112 3.763 3.477 1.00 31.23 C ATOM 1157 CG GLU A 79 14.504 3.613 4.025 1.00 4.42 C ATOM 1158 CD GLU A 79 15.446 3.233 2.937 1.00 1.20 C ATOM 1159 OE1 GLU A 79 15.467 2.064 2.525 1.00 44.14 O ATOM 1160 OE2 GLU A 79 16.145 4.123 2.413 1.00 32.13 O ATOM 0 H GLU A 79 13.108 5.926 5.622 1.00 32.53 H new ATOM 0 HA GLU A 79 11.275 4.740 3.724 1.00 73.42 H new ATOM 0 HB2 GLU A 79 12.689 2.770 3.328 1.00 31.23 H new ATOM 0 HB3 GLU A 79 13.174 4.233 2.496 1.00 31.23 H new ATOM 0 HG2 GLU A 79 14.825 4.548 4.484 1.00 4.42 H new ATOM 0 HG3 GLU A 79 14.515 2.854 4.807 1.00 4.42 H new ATOM 1167 N TRP A 80 10.539 3.175 5.380 1.00 22.33 N ATOM 1168 CA TRP A 80 9.805 2.547 6.449 1.00 71.24 C ATOM 1169 C TRP A 80 8.828 1.555 5.836 1.00 74.54 C ATOM 1170 O TRP A 80 8.459 1.694 4.682 1.00 14.41 O ATOM 1171 CB TRP A 80 9.064 3.680 7.189 1.00 20.53 C ATOM 1172 CG TRP A 80 8.131 3.318 8.306 1.00 71.23 C ATOM 1173 CD1 TRP A 80 6.793 3.096 8.206 1.00 22.50 C ATOM 1174 CD2 TRP A 80 8.450 3.221 9.697 1.00 73.25 C ATOM 1175 NE1 TRP A 80 6.265 2.828 9.438 1.00 3.32 N ATOM 1176 CE2 TRP A 80 7.257 2.907 10.373 1.00 63.20 C ATOM 1177 CE3 TRP A 80 9.628 3.357 10.436 1.00 1.54 C ATOM 1178 CZ2 TRP A 80 7.208 2.734 11.749 1.00 41.33 C ATOM 1179 CZ3 TRP A 80 9.574 3.187 11.803 1.00 22.00 C ATOM 1180 CH2 TRP A 80 8.371 2.880 12.443 1.00 33.31 C ATOM 0 H TRP A 80 10.103 3.058 4.465 1.00 22.33 H new ATOM 0 HA TRP A 80 10.446 2.005 7.145 1.00 71.24 H new ATOM 0 HB2 TRP A 80 9.815 4.359 7.592 1.00 20.53 H new ATOM 0 HB3 TRP A 80 8.493 4.240 6.449 1.00 20.53 H new ATOM 0 HD1 TRP A 80 6.229 3.127 7.286 1.00 22.50 H new ATOM 0 HE1 TRP A 80 5.288 2.605 9.628 1.00 3.32 H new ATOM 0 HE3 TRP A 80 10.562 3.591 9.946 1.00 1.54 H new ATOM 0 HZ2 TRP A 80 6.283 2.493 12.251 1.00 41.33 H new ATOM 0 HZ3 TRP A 80 10.476 3.293 12.388 1.00 22.00 H new ATOM 0 HH2 TRP A 80 8.363 2.755 13.516 1.00 33.31 H new ATOM 1191 N GLN A 81 8.480 0.535 6.557 1.00 61.24 N ATOM 1192 CA GLN A 81 7.470 -0.388 6.085 1.00 1.35 C ATOM 1193 C GLN A 81 6.154 -0.062 6.766 1.00 53.13 C ATOM 1194 O GLN A 81 6.057 -0.102 7.988 1.00 63.31 O ATOM 1195 CB GLN A 81 7.880 -1.864 6.267 1.00 71.24 C ATOM 1196 CG GLN A 81 8.232 -2.280 7.687 1.00 70.53 C ATOM 1197 CD GLN A 81 8.646 -3.729 7.764 1.00 14.22 C ATOM 1198 OE1 GLN A 81 7.829 -4.622 7.980 1.00 71.41 O ATOM 1199 NE2 GLN A 81 9.910 -3.976 7.593 1.00 32.21 N ATOM 0 H GLN A 81 8.872 0.313 7.472 1.00 61.24 H new ATOM 0 HA GLN A 81 7.354 -0.262 5.008 1.00 1.35 H new ATOM 0 HB2 GLN A 81 7.064 -2.495 5.915 1.00 71.24 H new ATOM 0 HB3 GLN A 81 8.738 -2.065 5.626 1.00 71.24 H new ATOM 0 HG2 GLN A 81 9.041 -1.651 8.059 1.00 70.53 H new ATOM 0 HG3 GLN A 81 7.373 -2.113 8.337 1.00 70.53 H new ATOM 0 HE21 GLN A 81 10.560 -3.210 7.416 1.00 32.21 H new ATOM 0 HE22 GLN A 81 10.252 -4.936 7.636 1.00 32.21 H new ATOM 1208 N LEU A 82 5.187 0.327 5.981 1.00 74.14 N ATOM 1209 CA LEU A 82 3.883 0.762 6.483 1.00 41.21 C ATOM 1210 C LEU A 82 3.153 -0.331 7.237 1.00 32.55 C ATOM 1211 O LEU A 82 3.038 -1.467 6.758 1.00 14.23 O ATOM 1212 CB LEU A 82 2.990 1.220 5.339 1.00 20.44 C ATOM 1213 CG LEU A 82 3.537 2.312 4.444 1.00 52.51 C ATOM 1214 CD1 LEU A 82 2.556 2.630 3.329 1.00 15.11 C ATOM 1215 CD2 LEU A 82 3.826 3.541 5.256 1.00 63.31 C ATOM 0 H LEU A 82 5.268 0.357 4.965 1.00 74.14 H new ATOM 0 HA LEU A 82 4.087 1.585 7.168 1.00 41.21 H new ATOM 0 HB2 LEU A 82 2.762 0.354 4.718 1.00 20.44 H new ATOM 0 HB3 LEU A 82 2.047 1.567 5.761 1.00 20.44 H new ATOM 0 HG LEU A 82 4.465 1.962 3.991 1.00 52.51 H new ATOM 0 HD11 LEU A 82 2.967 3.417 2.696 1.00 15.11 H new ATOM 0 HD12 LEU A 82 2.384 1.736 2.730 1.00 15.11 H new ATOM 0 HD13 LEU A 82 1.612 2.966 3.759 1.00 15.11 H new ATOM 0 HD21 LEU A 82 4.219 4.323 4.606 1.00 63.31 H new ATOM 0 HD22 LEU A 82 2.907 3.890 5.728 1.00 63.31 H new ATOM 0 HD23 LEU A 82 4.562 3.304 6.025 1.00 63.31 H new ATOM 1227 N ALA A 83 2.683 0.003 8.402 1.00 11.31 N ATOM 1228 CA ALA A 83 1.855 -0.872 9.170 1.00 30.13 C ATOM 1229 C ALA A 83 0.585 -0.138 9.549 1.00 13.34 C ATOM 1230 O ALA A 83 0.491 1.092 9.378 1.00 63.12 O ATOM 1231 CB ALA A 83 2.581 -1.354 10.407 1.00 72.22 C ATOM 0 H ALA A 83 2.867 0.901 8.849 1.00 11.31 H new ATOM 0 HA ALA A 83 1.606 -1.749 8.573 1.00 30.13 H new ATOM 0 HB1 ALA A 83 1.930 -2.019 10.975 1.00 72.22 H new ATOM 0 HB2 ALA A 83 3.482 -1.892 10.113 1.00 72.22 H new ATOM 0 HB3 ALA A 83 2.855 -0.499 11.025 1.00 72.22 H new ATOM 1237 N ASP A 84 -0.390 -0.870 10.043 1.00 31.24 N ATOM 1238 CA ASP A 84 -1.655 -0.287 10.467 1.00 15.51 C ATOM 1239 C ASP A 84 -1.434 0.717 11.574 1.00 62.35 C ATOM 1240 O ASP A 84 -0.790 0.402 12.588 1.00 21.54 O ATOM 1241 CB ASP A 84 -2.627 -1.370 10.955 1.00 11.05 C ATOM 1242 CG ASP A 84 -3.906 -0.796 11.508 1.00 64.04 C ATOM 1243 OD1 ASP A 84 -4.759 -0.347 10.719 1.00 3.10 O ATOM 1244 OD2 ASP A 84 -4.084 -0.782 12.750 1.00 51.15 O ATOM 0 H ASP A 84 -0.334 -1.881 10.164 1.00 31.24 H new ATOM 0 HA ASP A 84 -2.090 0.215 9.603 1.00 15.51 H new ATOM 0 HB2 ASP A 84 -2.862 -2.041 10.129 1.00 11.05 H new ATOM 0 HB3 ASP A 84 -2.140 -1.970 11.724 1.00 11.05 H new ATOM 1249 N GLY A 85 -1.899 1.919 11.362 1.00 70.42 N ATOM 1250 CA GLY A 85 -1.825 2.925 12.384 1.00 62.43 C ATOM 1251 C GLY A 85 -0.730 3.931 12.161 1.00 51.04 C ATOM 1252 O GLY A 85 -0.659 4.932 12.888 1.00 55.01 O ATOM 0 H GLY A 85 -2.333 2.224 10.491 1.00 70.42 H new ATOM 0 HA2 GLY A 85 -2.781 3.447 12.438 1.00 62.43 H new ATOM 0 HA3 GLY A 85 -1.671 2.441 13.348 1.00 62.43 H new ATOM 1256 N ASP A 86 0.111 3.698 11.168 1.00 2.12 N ATOM 1257 CA ASP A 86 1.219 4.610 10.907 1.00 21.42 C ATOM 1258 C ASP A 86 0.743 5.888 10.275 1.00 74.10 C ATOM 1259 O ASP A 86 -0.104 5.873 9.359 1.00 2.24 O ATOM 1260 CB ASP A 86 2.337 3.987 10.053 1.00 21.35 C ATOM 1261 CG ASP A 86 3.129 2.921 10.771 1.00 51.43 C ATOM 1262 OD1 ASP A 86 3.251 2.980 12.016 1.00 64.20 O ATOM 1263 OD2 ASP A 86 3.682 2.021 10.103 1.00 73.54 O ATOM 0 H ASP A 86 0.053 2.899 10.536 1.00 2.12 H new ATOM 0 HA ASP A 86 1.648 4.831 11.884 1.00 21.42 H new ATOM 0 HB2 ASP A 86 1.897 3.556 9.154 1.00 21.35 H new ATOM 0 HB3 ASP A 86 3.016 4.775 9.729 1.00 21.35 H new ATOM 1268 N VAL A 87 1.255 6.989 10.776 1.00 51.22 N ATOM 1269 CA VAL A 87 0.919 8.296 10.254 1.00 74.24 C ATOM 1270 C VAL A 87 2.071 8.794 9.418 1.00 73.51 C ATOM 1271 O VAL A 87 3.147 9.064 9.933 1.00 13.10 O ATOM 1272 CB VAL A 87 0.656 9.334 11.389 1.00 71.54 C ATOM 1273 CG1 VAL A 87 0.234 10.684 10.808 1.00 33.34 C ATOM 1274 CG2 VAL A 87 -0.389 8.820 12.366 1.00 35.53 C ATOM 0 H VAL A 87 1.914 7.005 11.554 1.00 51.22 H new ATOM 0 HA VAL A 87 0.007 8.194 9.666 1.00 74.24 H new ATOM 0 HB VAL A 87 1.589 9.475 11.934 1.00 71.54 H new ATOM 0 HG11 VAL A 87 0.057 11.390 11.619 1.00 33.34 H new ATOM 0 HG12 VAL A 87 1.025 11.065 10.162 1.00 33.34 H new ATOM 0 HG13 VAL A 87 -0.681 10.561 10.228 1.00 33.34 H new ATOM 0 HG21 VAL A 87 -0.553 9.562 13.147 1.00 35.53 H new ATOM 0 HG22 VAL A 87 -1.324 8.638 11.836 1.00 35.53 H new ATOM 0 HG23 VAL A 87 -0.040 7.891 12.817 1.00 35.53 H new ATOM 1284 N ILE A 88 1.861 8.912 8.162 1.00 43.31 N ATOM 1285 CA ILE A 88 2.878 9.406 7.285 1.00 32.05 C ATOM 1286 C ILE A 88 2.580 10.878 7.063 1.00 73.41 C ATOM 1287 O ILE A 88 1.541 11.243 6.500 1.00 23.34 O ATOM 1288 CB ILE A 88 2.949 8.587 5.945 1.00 60.24 C ATOM 1289 CG1 ILE A 88 3.546 7.176 6.159 1.00 32.41 C ATOM 1290 CG2 ILE A 88 3.729 9.313 4.875 1.00 41.42 C ATOM 1291 CD1 ILE A 88 2.738 6.248 7.042 1.00 64.32 C ATOM 0 H ILE A 88 0.983 8.672 7.702 1.00 43.31 H new ATOM 0 HA ILE A 88 3.867 9.287 7.728 1.00 32.05 H new ATOM 0 HB ILE A 88 1.919 8.479 5.606 1.00 60.24 H new ATOM 0 HG12 ILE A 88 3.671 6.703 5.185 1.00 32.41 H new ATOM 0 HG13 ILE A 88 4.541 7.284 6.591 1.00 32.41 H new ATOM 0 HG21 ILE A 88 3.751 8.709 3.968 1.00 41.42 H new ATOM 0 HG22 ILE A 88 3.252 10.270 4.663 1.00 41.42 H new ATOM 0 HG23 ILE A 88 4.748 9.485 5.221 1.00 41.42 H new ATOM 0 HD11 ILE A 88 3.248 5.288 7.124 1.00 64.32 H new ATOM 0 HD12 ILE A 88 2.633 6.689 8.033 1.00 64.32 H new ATOM 0 HD13 ILE A 88 1.751 6.099 6.605 1.00 64.32 H new ATOM 1303 N ARG A 89 3.446 11.718 7.553 1.00 60.32 N ATOM 1304 CA ARG A 89 3.160 13.121 7.594 1.00 34.12 C ATOM 1305 C ARG A 89 4.114 13.902 6.707 1.00 54.45 C ATOM 1306 O ARG A 89 5.330 13.928 6.938 1.00 73.20 O ATOM 1307 CB ARG A 89 3.216 13.588 9.050 1.00 50.43 C ATOM 1308 CG ARG A 89 2.504 14.890 9.329 1.00 24.41 C ATOM 1309 CD ARG A 89 2.424 15.141 10.831 1.00 13.32 C ATOM 1310 NE ARG A 89 1.432 16.165 11.150 1.00 10.13 N ATOM 1311 CZ ARG A 89 0.139 15.908 11.440 1.00 23.13 C ATOM 1312 NH1 ARG A 89 -0.290 14.650 11.572 1.00 51.15 N ATOM 1313 NH2 ARG A 89 -0.716 16.905 11.631 1.00 21.40 N ATOM 0 H ARG A 89 4.356 11.454 7.930 1.00 60.32 H new ATOM 0 HA ARG A 89 2.160 13.306 7.202 1.00 34.12 H new ATOM 0 HB2 ARG A 89 2.784 12.812 9.682 1.00 50.43 H new ATOM 0 HB3 ARG A 89 4.261 13.692 9.343 1.00 50.43 H new ATOM 0 HG2 ARG A 89 3.032 15.711 8.844 1.00 24.41 H new ATOM 0 HG3 ARG A 89 1.500 14.861 8.905 1.00 24.41 H new ATOM 0 HD2 ARG A 89 2.169 14.213 11.343 1.00 13.32 H new ATOM 0 HD3 ARG A 89 3.401 15.451 11.202 1.00 13.32 H new ATOM 0 HE ARG A 89 1.737 17.138 11.154 1.00 10.13 H new ATOM 0 HH11 ARG A 89 0.361 13.874 11.454 1.00 51.15 H new ATOM 0 HH12 ARG A 89 -1.269 14.465 11.791 1.00 51.15 H new ATOM 0 HH21 ARG A 89 -0.397 17.871 11.559 1.00 21.40 H new ATOM 0 HH22 ARG A 89 -1.692 16.705 11.850 1.00 21.40 H new ATOM 1327 N LEU A 90 3.547 14.515 5.705 1.00 53.12 N ATOM 1328 CA LEU A 90 4.246 15.312 4.719 1.00 64.33 C ATOM 1329 C LEU A 90 3.633 16.699 4.704 1.00 64.00 C ATOM 1330 O LEU A 90 2.600 16.903 5.342 1.00 71.33 O ATOM 1331 CB LEU A 90 4.268 14.667 3.295 1.00 15.34 C ATOM 1332 CG LEU A 90 2.931 14.268 2.625 1.00 14.33 C ATOM 1333 CD1 LEU A 90 3.171 13.972 1.160 1.00 53.31 C ATOM 1334 CD2 LEU A 90 2.321 13.024 3.270 1.00 13.34 C ATOM 0 H LEU A 90 2.541 14.475 5.541 1.00 53.12 H new ATOM 0 HA LEU A 90 5.296 15.370 5.007 1.00 64.33 H new ATOM 0 HB2 LEU A 90 4.774 15.364 2.627 1.00 15.34 H new ATOM 0 HB3 LEU A 90 4.887 13.772 3.350 1.00 15.34 H new ATOM 0 HG LEU A 90 2.240 15.102 2.750 1.00 14.33 H new ATOM 0 HD11 LEU A 90 2.230 13.691 0.687 1.00 53.31 H new ATOM 0 HD12 LEU A 90 3.572 14.859 0.671 1.00 53.31 H new ATOM 0 HD13 LEU A 90 3.883 13.152 1.066 1.00 53.31 H new ATOM 0 HD21 LEU A 90 1.384 12.778 2.771 1.00 13.34 H new ATOM 0 HD22 LEU A 90 3.014 12.188 3.175 1.00 13.34 H new ATOM 0 HD23 LEU A 90 2.130 13.218 4.325 1.00 13.34 H new ATOM 1346 N GLY A 91 4.315 17.658 4.107 1.00 42.02 N ATOM 1347 CA GLY A 91 3.839 19.046 4.067 1.00 54.43 C ATOM 1348 C GLY A 91 2.353 19.202 3.731 1.00 5.03 C ATOM 1349 O GLY A 91 1.899 18.817 2.648 1.00 20.41 O ATOM 0 H GLY A 91 5.208 17.509 3.637 1.00 42.02 H new ATOM 0 HA2 GLY A 91 4.030 19.509 5.035 1.00 54.43 H new ATOM 0 HA3 GLY A 91 4.424 19.596 3.330 1.00 54.43 H new ATOM 1353 N HIS A 92 1.597 19.692 4.723 1.00 24.34 N ATOM 1354 CA HIS A 92 0.148 19.985 4.618 1.00 3.32 C ATOM 1355 C HIS A 92 -0.724 18.748 4.387 1.00 73.15 C ATOM 1356 O HIS A 92 -1.927 18.880 4.167 1.00 15.04 O ATOM 1357 CB HIS A 92 -0.164 21.041 3.533 1.00 62.55 C ATOM 1358 CG HIS A 92 0.392 22.408 3.794 1.00 70.43 C ATOM 1359 ND1 HIS A 92 1.246 23.065 2.939 1.00 1.40 N ATOM 1360 CD2 HIS A 92 0.177 23.254 4.828 1.00 61.20 C ATOM 1361 CE1 HIS A 92 1.528 24.255 3.464 1.00 20.05 C ATOM 1362 NE2 HIS A 92 0.900 24.426 4.622 1.00 54.01 N ATOM 0 H HIS A 92 1.978 19.903 5.645 1.00 24.34 H new ATOM 0 HA HIS A 92 -0.110 20.389 5.597 1.00 3.32 H new ATOM 0 HB2 HIS A 92 0.225 20.684 2.579 1.00 62.55 H new ATOM 0 HB3 HIS A 92 -1.246 21.121 3.427 1.00 62.55 H new ATOM 0 HD1 HIS A 92 1.602 22.702 2.055 1.00 1.40 H new ATOM 0 HD2 HIS A 92 -0.456 23.052 5.679 1.00 61.20 H new ATOM 0 HE1 HIS A 92 2.181 24.985 3.009 1.00 20.05 H new ATOM 1370 N SER A 93 -0.150 17.570 4.448 1.00 3.11 N ATOM 1371 CA SER A 93 -0.903 16.366 4.182 1.00 44.42 C ATOM 1372 C SER A 93 -0.495 15.245 5.136 1.00 13.22 C ATOM 1373 O SER A 93 0.689 14.925 5.263 1.00 14.14 O ATOM 1374 CB SER A 93 -0.673 15.931 2.727 1.00 55.22 C ATOM 1375 OG SER A 93 -0.911 17.011 1.822 1.00 24.22 O ATOM 0 H SER A 93 0.832 17.419 4.678 1.00 3.11 H new ATOM 0 HA SER A 93 -1.962 16.573 4.338 1.00 44.42 H new ATOM 0 HB2 SER A 93 0.350 15.573 2.609 1.00 55.22 H new ATOM 0 HB3 SER A 93 -1.333 15.098 2.485 1.00 55.22 H new ATOM 0 HG SER A 93 -1.510 16.712 1.106 1.00 24.22 H new ATOM 1381 N GLU A 94 -1.442 14.675 5.816 1.00 44.30 N ATOM 1382 CA GLU A 94 -1.161 13.561 6.675 1.00 24.22 C ATOM 1383 C GLU A 94 -1.939 12.359 6.198 1.00 31.50 C ATOM 1384 O GLU A 94 -3.163 12.403 6.052 1.00 64.01 O ATOM 1385 CB GLU A 94 -1.426 13.907 8.151 1.00 32.33 C ATOM 1386 CG GLU A 94 -2.851 14.329 8.477 1.00 13.35 C ATOM 1387 CD GLU A 94 -2.972 14.915 9.855 1.00 34.13 C ATOM 1388 OE1 GLU A 94 -2.912 14.164 10.853 1.00 74.14 O ATOM 1389 OE2 GLU A 94 -3.133 16.153 9.975 1.00 20.11 O ATOM 0 H GLU A 94 -2.420 14.963 5.794 1.00 44.30 H new ATOM 0 HA GLU A 94 -0.100 13.315 6.622 1.00 24.22 H new ATOM 0 HB2 GLU A 94 -1.174 13.040 8.761 1.00 32.33 H new ATOM 0 HB3 GLU A 94 -0.751 14.711 8.445 1.00 32.33 H new ATOM 0 HG2 GLU A 94 -3.188 15.061 7.743 1.00 13.35 H new ATOM 0 HG3 GLU A 94 -3.511 13.466 8.393 1.00 13.35 H new ATOM 1396 N ILE A 95 -1.232 11.319 5.894 1.00 4.25 N ATOM 1397 CA ILE A 95 -1.848 10.152 5.365 1.00 50.23 C ATOM 1398 C ILE A 95 -1.792 9.039 6.427 1.00 52.14 C ATOM 1399 O ILE A 95 -0.727 8.754 7.010 1.00 13.24 O ATOM 1400 CB ILE A 95 -1.185 9.723 3.995 1.00 52.50 C ATOM 1401 CG1 ILE A 95 -2.035 8.733 3.242 1.00 51.40 C ATOM 1402 CG2 ILE A 95 0.209 9.195 4.141 1.00 31.42 C ATOM 1403 CD1 ILE A 95 -3.208 9.380 2.572 1.00 61.42 C ATOM 0 H ILE A 95 -0.220 11.257 6.005 1.00 4.25 H new ATOM 0 HA ILE A 95 -2.894 10.356 5.135 1.00 50.23 H new ATOM 0 HB ILE A 95 -1.119 10.644 3.416 1.00 52.50 H new ATOM 0 HG12 ILE A 95 -1.424 8.230 2.492 1.00 51.40 H new ATOM 0 HG13 ILE A 95 -2.391 7.966 3.930 1.00 51.40 H new ATOM 0 HG21 ILE A 95 0.599 8.921 3.161 1.00 31.42 H new ATOM 0 HG22 ILE A 95 0.844 9.963 4.583 1.00 31.42 H new ATOM 0 HG23 ILE A 95 0.200 8.316 4.786 1.00 31.42 H new ATOM 0 HD11 ILE A 95 -3.788 8.623 2.043 1.00 61.42 H new ATOM 0 HD12 ILE A 95 -3.836 9.860 3.322 1.00 61.42 H new ATOM 0 HD13 ILE A 95 -2.855 10.128 1.862 1.00 61.42 H new ATOM 1415 N ILE A 96 -2.931 8.486 6.739 1.00 44.10 N ATOM 1416 CA ILE A 96 -3.018 7.441 7.748 1.00 61.33 C ATOM 1417 C ILE A 96 -3.154 6.094 7.060 1.00 41.11 C ATOM 1418 O ILE A 96 -3.989 5.937 6.159 1.00 61.45 O ATOM 1419 CB ILE A 96 -4.211 7.660 8.776 1.00 12.44 C ATOM 1420 CG1 ILE A 96 -4.031 8.941 9.642 1.00 70.24 C ATOM 1421 CG2 ILE A 96 -4.395 6.447 9.692 1.00 53.11 C ATOM 1422 CD1 ILE A 96 -4.188 10.264 8.910 1.00 74.02 C ATOM 0 H ILE A 96 -3.823 8.736 6.312 1.00 44.10 H new ATOM 0 HA ILE A 96 -2.101 7.478 8.336 1.00 61.33 H new ATOM 0 HB ILE A 96 -5.106 7.788 8.167 1.00 12.44 H new ATOM 0 HG12 ILE A 96 -4.755 8.910 10.456 1.00 70.24 H new ATOM 0 HG13 ILE A 96 -3.040 8.914 10.095 1.00 70.24 H new ATOM 0 HG21 ILE A 96 -5.219 6.633 10.381 1.00 53.11 H new ATOM 0 HG22 ILE A 96 -4.618 5.566 9.089 1.00 53.11 H new ATOM 0 HG23 ILE A 96 -3.480 6.277 10.259 1.00 53.11 H new ATOM 0 HD11 ILE A 96 -4.042 11.087 9.610 1.00 74.02 H new ATOM 0 HD12 ILE A 96 -3.447 10.329 8.114 1.00 74.02 H new ATOM 0 HD13 ILE A 96 -5.188 10.326 8.481 1.00 74.02 H new ATOM 1434 N VAL A 97 -2.318 5.151 7.446 1.00 45.11 N ATOM 1435 CA VAL A 97 -2.322 3.832 6.861 1.00 54.14 C ATOM 1436 C VAL A 97 -3.170 2.853 7.667 1.00 61.33 C ATOM 1437 O VAL A 97 -2.966 2.659 8.875 1.00 71.24 O ATOM 1438 CB VAL A 97 -0.882 3.287 6.694 1.00 64.23 C ATOM 1439 CG1 VAL A 97 -0.895 1.847 6.203 1.00 41.11 C ATOM 1440 CG2 VAL A 97 -0.121 4.153 5.715 1.00 35.42 C ATOM 0 H VAL A 97 -1.617 5.281 8.175 1.00 45.11 H new ATOM 0 HA VAL A 97 -2.773 3.927 5.873 1.00 54.14 H new ATOM 0 HB VAL A 97 -0.391 3.312 7.667 1.00 64.23 H new ATOM 0 HG11 VAL A 97 0.129 1.490 6.095 1.00 41.11 H new ATOM 0 HG12 VAL A 97 -1.423 1.222 6.923 1.00 41.11 H new ATOM 0 HG13 VAL A 97 -1.401 1.796 5.239 1.00 41.11 H new ATOM 0 HG21 VAL A 97 0.892 3.767 5.599 1.00 35.42 H new ATOM 0 HG22 VAL A 97 -0.626 4.141 4.749 1.00 35.42 H new ATOM 0 HG23 VAL A 97 -0.079 5.176 6.090 1.00 35.42 H new ATOM 1450 N ARG A 98 -4.117 2.260 6.995 1.00 22.32 N ATOM 1451 CA ARG A 98 -4.996 1.265 7.552 1.00 54.33 C ATOM 1452 C ARG A 98 -4.705 -0.061 6.892 1.00 3.32 C ATOM 1453 O ARG A 98 -4.812 -0.183 5.678 1.00 1.00 O ATOM 1454 CB ARG A 98 -6.447 1.652 7.275 1.00 73.14 C ATOM 1455 CG ARG A 98 -6.884 2.931 7.939 1.00 73.21 C ATOM 1456 CD ARG A 98 -7.043 2.765 9.431 1.00 11.14 C ATOM 1457 NE ARG A 98 -7.484 4.005 10.077 1.00 53.53 N ATOM 1458 CZ ARG A 98 -7.796 4.134 11.366 1.00 12.10 C ATOM 1459 NH1 ARG A 98 -7.854 3.067 12.153 1.00 60.41 N ATOM 1460 NH2 ARG A 98 -8.092 5.331 11.854 1.00 14.45 N ATOM 0 H ARG A 98 -4.306 2.461 6.013 1.00 22.32 H new ATOM 0 HA ARG A 98 -4.839 1.194 8.628 1.00 54.33 H new ATOM 0 HB2 ARG A 98 -6.586 1.749 6.198 1.00 73.14 H new ATOM 0 HB3 ARG A 98 -7.097 0.843 7.608 1.00 73.14 H new ATOM 0 HG2 ARG A 98 -6.152 3.713 7.737 1.00 73.21 H new ATOM 0 HG3 ARG A 98 -7.830 3.259 7.507 1.00 73.21 H new ATOM 0 HD2 ARG A 98 -7.765 1.974 9.633 1.00 11.14 H new ATOM 0 HD3 ARG A 98 -6.094 2.448 9.864 1.00 11.14 H new ATOM 0 HE ARG A 98 -7.558 4.837 9.492 1.00 53.53 H new ATOM 0 HH11 ARG A 98 -7.659 2.141 11.772 1.00 60.41 H new ATOM 0 HH12 ARG A 98 -8.093 3.173 13.139 1.00 60.41 H new ATOM 0 HH21 ARG A 98 -8.080 6.148 11.243 1.00 14.45 H new ATOM 0 HH22 ARG A 98 -8.331 5.435 12.840 1.00 14.45 H new ATOM 1474 N MET A 99 -4.310 -1.024 7.658 1.00 71.31 N ATOM 1475 CA MET A 99 -4.064 -2.355 7.103 1.00 11.42 C ATOM 1476 C MET A 99 -5.144 -3.304 7.514 1.00 20.55 C ATOM 1477 O MET A 99 -5.387 -3.519 8.702 1.00 23.42 O ATOM 1478 CB MET A 99 -2.681 -2.932 7.438 1.00 54.42 C ATOM 1479 CG MET A 99 -1.523 -2.236 6.747 1.00 22.23 C ATOM 1480 SD MET A 99 0.080 -2.982 7.127 1.00 10.34 S ATOM 1481 CE MET A 99 -0.155 -4.659 6.529 1.00 61.23 C ATOM 0 H MET A 99 -4.146 -0.937 8.661 1.00 71.31 H new ATOM 0 HA MET A 99 -4.077 -2.230 6.020 1.00 11.42 H new ATOM 0 HB2 MET A 99 -2.530 -2.877 8.516 1.00 54.42 H new ATOM 0 HB3 MET A 99 -2.667 -3.988 7.168 1.00 54.42 H new ATOM 0 HG2 MET A 99 -1.683 -2.261 5.669 1.00 22.23 H new ATOM 0 HG3 MET A 99 -1.508 -1.187 7.043 1.00 22.23 H new ATOM 0 HE1 MET A 99 0.816 -5.120 6.347 1.00 61.23 H new ATOM 0 HE2 MET A 99 -0.698 -5.239 7.276 1.00 61.23 H new ATOM 0 HE3 MET A 99 -0.726 -4.638 5.601 1.00 61.23 H new ATOM 1491 N HIS A 100 -5.792 -3.848 6.550 1.00 34.34 N ATOM 1492 CA HIS A 100 -6.890 -4.732 6.761 1.00 73.54 C ATOM 1493 C HIS A 100 -6.399 -6.123 6.478 1.00 71.34 C ATOM 1494 O HIS A 100 -6.333 -6.519 5.291 1.00 65.35 O ATOM 1495 CB HIS A 100 -8.064 -4.405 5.814 1.00 2.44 C ATOM 1496 CG HIS A 100 -8.476 -2.951 5.776 1.00 73.32 C ATOM 1497 ND1 HIS A 100 -9.575 -2.427 6.425 1.00 24.03 N ATOM 1498 CD2 HIS A 100 -7.909 -1.909 5.116 1.00 63.10 C ATOM 1499 CE1 HIS A 100 -9.635 -1.121 6.146 1.00 60.34 C ATOM 1500 NE2 HIS A 100 -8.642 -0.756 5.353 1.00 34.30 N ATOM 1501 OXT HIS A 100 -6.080 -6.848 7.428 1.00 38.25 O ATOM 0 H HIS A 100 -5.572 -3.690 5.567 1.00 34.34 H new ATOM 0 HA HIS A 100 -7.252 -4.631 7.784 1.00 73.54 H new ATOM 0 HB2 HIS A 100 -7.793 -4.715 4.805 1.00 2.44 H new ATOM 0 HB3 HIS A 100 -8.926 -5.002 6.111 1.00 2.44 H new ATOM 0 HD1 HIS A 100 -10.227 -2.945 7.014 1.00 24.03 H new ATOM 0 HD2 HIS A 100 -7.023 -1.969 4.501 1.00 63.10 H new ATOM 0 HE1 HIS A 100 -10.395 -0.451 6.520 1.00 60.34 H new