USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 599 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 56 MET CE :methyl 167:sc= -3.97! (180deg=-4.15!) USER MOD Set 1.2: A 75 TYR OH : rot 15:sc= -0.0108 USER MOD Set 2.1: A 64 LYS NZ :NH3+ 151:sc= -0.0728 (180deg=-2.1!) USER MOD Set 2.2: A 65 ASN : amide:sc= 0.434! C(o=0.36!,f=-9.2!) USER MOD Single : A 21 TYR OH : rot 71:sc= 2.2 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 23 GLN : amide:sc= -0.652! C(o=-0.65!,f=-5.3!) USER MOD Single : A 30 GLN : amide:sc= -1.04 K(o=-1,f=-2.9!) USER MOD Single : A 33 ASN : amide:sc= -0.0135 X(o=-0.013,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.612 K(o=0.61,f=-8!) USER MOD Single : A 38 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.56) USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=-0.00065) USER MOD Single : A 43 SER OG : rot 57:sc= 1.22 USER MOD Single : A 44 ASN : amide:sc= 0.0594 K(o=0.059,f=-14!) USER MOD Single : A 47 GLN : amide:sc= -1.05 K(o=-1,f=-2.5!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 85 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.73) USER MOD Single : A 87 MET CE :methyl -173:sc= -0.0191 (180deg=-0.144) USER MOD ----------------------------------------------------------------- ATOM 68 N ALA A 18 8.816 1.767 -3.807 1.00 64.14 N ATOM 69 CA ALA A 18 9.176 0.464 -3.224 1.00 62.13 C ATOM 70 C ALA A 18 8.523 -0.688 -4.015 1.00 43.24 C ATOM 71 O ALA A 18 8.923 -1.833 -3.913 1.00 44.31 O ATOM 72 CB ALA A 18 8.797 0.390 -1.763 1.00 72.45 C ATOM 0 HA ALA A 18 10.259 0.359 -3.292 1.00 62.13 H new ATOM 0 HB1 ALA A 18 9.077 -0.585 -1.364 1.00 72.45 H new ATOM 0 HB2 ALA A 18 9.320 1.172 -1.212 1.00 72.45 H new ATOM 0 HB3 ALA A 18 7.721 0.530 -1.659 1.00 72.45 H new ATOM 78 N ALA A 19 7.513 -0.353 -4.824 1.00 31.30 N ATOM 79 CA ALA A 19 6.864 -1.305 -5.709 1.00 61.55 C ATOM 80 C ALA A 19 7.826 -1.727 -6.829 1.00 31.45 C ATOM 81 O ALA A 19 7.659 -2.778 -7.445 1.00 41.42 O ATOM 82 CB ALA A 19 5.596 -0.702 -6.297 1.00 34.00 C ATOM 0 H ALA A 19 7.127 0.590 -4.878 1.00 31.30 H new ATOM 0 HA ALA A 19 6.591 -2.189 -5.133 1.00 61.55 H new ATOM 0 HB1 ALA A 19 5.121 -1.427 -6.958 1.00 34.00 H new ATOM 0 HB2 ALA A 19 4.910 -0.441 -5.491 1.00 34.00 H new ATOM 0 HB3 ALA A 19 5.848 0.195 -6.863 1.00 34.00 H new ATOM 88 N ASP A 20 8.858 -0.911 -7.068 1.00 74.44 N ATOM 89 CA ASP A 20 9.872 -1.204 -8.081 1.00 24.30 C ATOM 90 C ASP A 20 10.650 -2.454 -7.621 1.00 10.22 C ATOM 91 O ASP A 20 11.076 -3.266 -8.424 1.00 31.53 O ATOM 92 CB ASP A 20 10.798 0.022 -8.280 1.00 40.11 C ATOM 93 CG ASP A 20 11.715 -0.017 -9.513 1.00 44.22 C ATOM 94 OD1 ASP A 20 11.218 -0.127 -10.657 1.00 52.35 O ATOM 95 OD2 ASP A 20 12.926 0.223 -9.369 1.00 50.24 O ATOM 0 H ASP A 20 9.012 -0.036 -6.568 1.00 74.44 H new ATOM 0 HA ASP A 20 9.413 -1.407 -9.049 1.00 24.30 H new ATOM 0 HB2 ASP A 20 10.176 0.915 -8.343 1.00 40.11 H new ATOM 0 HB3 ASP A 20 11.421 0.129 -7.392 1.00 40.11 H new ATOM 100 N TYR A 21 10.714 -2.646 -6.276 1.00 65.34 N ATOM 101 CA TYR A 21 11.310 -3.848 -5.647 1.00 63.20 C ATOM 102 C TYR A 21 10.611 -5.126 -6.131 1.00 33.12 C ATOM 103 O TYR A 21 11.239 -6.187 -6.267 1.00 74.43 O ATOM 104 CB TYR A 21 11.251 -3.755 -4.079 1.00 4.21 C ATOM 105 CG TYR A 21 11.064 -5.100 -3.366 1.00 5.14 C ATOM 106 CD1 TYR A 21 12.139 -5.929 -3.064 1.00 32.10 C ATOM 107 CD2 TYR A 21 9.781 -5.553 -3.053 1.00 52.24 C ATOM 108 CE1 TYR A 21 11.930 -7.172 -2.480 1.00 53.12 C ATOM 109 CE2 TYR A 21 9.577 -6.777 -2.461 1.00 32.14 C ATOM 110 CZ TYR A 21 10.649 -7.583 -2.179 1.00 20.10 C ATOM 111 OH TYR A 21 10.432 -8.834 -1.649 1.00 52.44 O ATOM 0 H TYR A 21 10.354 -1.971 -5.602 1.00 65.34 H new ATOM 0 HA TYR A 21 12.357 -3.892 -5.948 1.00 63.20 H new ATOM 0 HB2 TYR A 21 12.171 -3.294 -3.721 1.00 4.21 H new ATOM 0 HB3 TYR A 21 10.432 -3.093 -3.798 1.00 4.21 H new ATOM 0 HD1 TYR A 21 13.145 -5.604 -3.285 1.00 32.10 H new ATOM 0 HD2 TYR A 21 8.930 -4.928 -3.281 1.00 52.24 H new ATOM 0 HE1 TYR A 21 12.770 -7.815 -2.262 1.00 53.12 H new ATOM 0 HE2 TYR A 21 8.576 -7.102 -2.219 1.00 32.14 H new ATOM 0 HH TYR A 21 10.760 -8.860 -0.726 1.00 52.44 H new ATOM 121 N GLN A 22 9.323 -5.024 -6.394 1.00 3.43 N ATOM 122 CA GLN A 22 8.544 -6.175 -6.846 1.00 53.14 C ATOM 123 C GLN A 22 9.045 -6.654 -8.205 1.00 41.25 C ATOM 124 O GLN A 22 9.106 -7.853 -8.474 1.00 23.40 O ATOM 125 CB GLN A 22 7.054 -5.841 -6.891 1.00 11.54 C ATOM 126 CG GLN A 22 6.472 -5.479 -5.531 1.00 2.22 C ATOM 127 CD GLN A 22 5.017 -5.075 -5.604 1.00 64.43 C ATOM 128 OE1 GLN A 22 4.695 -3.917 -5.776 1.00 74.23 O ATOM 129 NE2 GLN A 22 4.130 -6.027 -5.472 1.00 42.34 N ATOM 0 H GLN A 22 8.788 -4.160 -6.305 1.00 3.43 H new ATOM 0 HA GLN A 22 8.677 -6.986 -6.130 1.00 53.14 H new ATOM 0 HB2 GLN A 22 6.897 -5.009 -7.578 1.00 11.54 H new ATOM 0 HB3 GLN A 22 6.510 -6.695 -7.295 1.00 11.54 H new ATOM 0 HG2 GLN A 22 6.574 -6.331 -4.859 1.00 2.22 H new ATOM 0 HG3 GLN A 22 7.050 -4.662 -5.100 1.00 2.22 H new ATOM 0 HE21 GLN A 22 4.433 -6.990 -5.329 1.00 42.34 H new ATOM 0 HE22 GLN A 22 3.135 -5.806 -5.512 1.00 42.34 H new ATOM 138 N GLN A 23 9.476 -5.709 -9.018 1.00 62.05 N ATOM 139 CA GLN A 23 10.018 -6.011 -10.328 1.00 12.20 C ATOM 140 C GLN A 23 11.455 -6.529 -10.181 1.00 53.23 C ATOM 141 O GLN A 23 11.937 -7.295 -10.996 1.00 43.20 O ATOM 142 CB GLN A 23 10.007 -4.766 -11.210 1.00 22.24 C ATOM 143 CG GLN A 23 8.643 -4.151 -11.453 1.00 72.34 C ATOM 144 CD GLN A 23 8.743 -2.913 -12.325 1.00 43.11 C ATOM 145 OE1 GLN A 23 8.665 -2.990 -13.557 1.00 13.22 O ATOM 146 NE2 GLN A 23 8.956 -1.784 -11.716 1.00 35.33 N ATOM 0 H GLN A 23 9.460 -4.715 -8.790 1.00 62.05 H new ATOM 0 HA GLN A 23 9.399 -6.776 -10.797 1.00 12.20 H new ATOM 0 HB2 GLN A 23 10.650 -4.013 -10.754 1.00 22.24 H new ATOM 0 HB3 GLN A 23 10.448 -5.021 -12.174 1.00 22.24 H new ATOM 0 HG2 GLN A 23 7.992 -4.883 -11.931 1.00 72.34 H new ATOM 0 HG3 GLN A 23 8.184 -3.890 -10.499 1.00 72.34 H new ATOM 0 HE21 GLN A 23 9.015 -1.757 -10.698 1.00 35.33 H new ATOM 0 HE22 GLN A 23 9.064 -0.926 -12.256 1.00 35.33 H new ATOM 155 N LEU A 24 12.123 -6.100 -9.119 1.00 60.24 N ATOM 156 CA LEU A 24 13.494 -6.528 -8.822 1.00 5.23 C ATOM 157 C LEU A 24 13.457 -8.035 -8.512 1.00 20.14 C ATOM 158 O LEU A 24 14.290 -8.799 -9.006 1.00 10.21 O ATOM 159 CB LEU A 24 14.016 -5.732 -7.607 1.00 41.13 C ATOM 160 CG LEU A 24 15.525 -5.427 -7.514 1.00 43.43 C ATOM 161 CD1 LEU A 24 15.816 -4.657 -6.243 1.00 40.34 C ATOM 162 CD2 LEU A 24 16.379 -6.676 -7.581 1.00 33.20 C ATOM 0 H LEU A 24 11.736 -5.447 -8.437 1.00 60.24 H new ATOM 0 HA LEU A 24 14.160 -6.344 -9.665 1.00 5.23 H new ATOM 0 HB2 LEU A 24 13.484 -4.781 -7.582 1.00 41.13 H new ATOM 0 HB3 LEU A 24 13.733 -6.279 -6.707 1.00 41.13 H new ATOM 0 HG LEU A 24 15.787 -4.821 -8.381 1.00 43.43 H new ATOM 0 HD11 LEU A 24 16.883 -4.444 -6.183 1.00 40.34 H new ATOM 0 HD12 LEU A 24 15.259 -3.720 -6.250 1.00 40.34 H new ATOM 0 HD13 LEU A 24 15.515 -5.252 -5.380 1.00 40.34 H new ATOM 0 HD21 LEU A 24 17.431 -6.401 -7.511 1.00 33.20 H new ATOM 0 HD22 LEU A 24 16.121 -7.338 -6.754 1.00 33.20 H new ATOM 0 HD23 LEU A 24 16.200 -7.189 -8.526 1.00 33.20 H new ATOM 174 N ARG A 25 12.449 -8.443 -7.710 1.00 63.44 N ATOM 175 CA ARG A 25 12.192 -9.866 -7.398 1.00 63.14 C ATOM 176 C ARG A 25 12.136 -10.683 -8.695 1.00 43.34 C ATOM 177 O ARG A 25 12.813 -11.691 -8.839 1.00 44.43 O ATOM 178 CB ARG A 25 10.827 -10.035 -6.677 1.00 4.43 C ATOM 179 CG ARG A 25 10.797 -9.875 -5.152 1.00 13.23 C ATOM 180 CD ARG A 25 11.468 -11.062 -4.461 1.00 75.33 C ATOM 181 NE ARG A 25 11.199 -11.131 -3.006 1.00 20.43 N ATOM 182 CZ ARG A 25 11.295 -12.255 -2.248 1.00 52.50 C ATOM 183 NH1 ARG A 25 11.460 -13.455 -2.821 1.00 32.32 N ATOM 184 NH2 ARG A 25 11.165 -12.184 -0.936 1.00 12.44 N ATOM 0 H ARG A 25 11.795 -7.800 -7.264 1.00 63.44 H new ATOM 0 HA ARG A 25 12.999 -10.215 -6.754 1.00 63.14 H new ATOM 0 HB2 ARG A 25 10.132 -9.312 -7.103 1.00 4.43 H new ATOM 0 HB3 ARG A 25 10.442 -11.026 -6.917 1.00 4.43 H new ATOM 0 HG2 ARG A 25 11.304 -8.952 -4.870 1.00 13.23 H new ATOM 0 HG3 ARG A 25 9.765 -9.788 -4.813 1.00 13.23 H new ATOM 0 HD2 ARG A 25 11.126 -11.985 -4.929 1.00 75.33 H new ATOM 0 HD3 ARG A 25 12.545 -11.003 -4.621 1.00 75.33 H new ATOM 0 HE ARG A 25 10.920 -10.269 -2.537 1.00 20.43 H new ATOM 0 HH11 ARG A 25 11.515 -13.532 -3.837 1.00 32.32 H new ATOM 0 HH12 ARG A 25 11.531 -14.291 -2.242 1.00 32.32 H new ATOM 0 HH21 ARG A 25 10.992 -11.284 -0.489 1.00 12.44 H new ATOM 0 HH22 ARG A 25 11.238 -13.029 -0.370 1.00 12.44 H new ATOM 198 N GLU A 26 11.327 -10.201 -9.621 1.00 20.11 N ATOM 199 CA GLU A 26 11.093 -10.808 -10.911 1.00 64.12 C ATOM 200 C GLU A 26 12.390 -10.906 -11.734 1.00 11.42 C ATOM 201 O GLU A 26 12.753 -11.963 -12.235 1.00 24.10 O ATOM 202 CB GLU A 26 10.107 -9.905 -11.664 1.00 2.01 C ATOM 203 CG GLU A 26 9.726 -10.380 -13.041 1.00 52.12 C ATOM 204 CD GLU A 26 9.322 -9.233 -13.967 1.00 63.15 C ATOM 205 OE1 GLU A 26 8.359 -8.506 -13.676 1.00 73.22 O ATOM 206 OE2 GLU A 26 10.030 -8.998 -14.969 1.00 43.44 O ATOM 0 H GLU A 26 10.795 -9.341 -9.486 1.00 20.11 H new ATOM 0 HA GLU A 26 10.706 -11.817 -10.769 1.00 64.12 H new ATOM 0 HB2 GLU A 26 9.200 -9.807 -11.067 1.00 2.01 H new ATOM 0 HB3 GLU A 26 10.542 -8.909 -11.748 1.00 2.01 H new ATOM 0 HG2 GLU A 26 10.565 -10.919 -13.481 1.00 52.12 H new ATOM 0 HG3 GLU A 26 8.900 -11.087 -12.962 1.00 52.12 H new ATOM 213 N ARG A 27 13.083 -9.809 -11.825 1.00 45.23 N ATOM 214 CA ARG A 27 14.200 -9.679 -12.726 1.00 34.31 C ATOM 215 C ARG A 27 15.474 -10.338 -12.289 1.00 62.42 C ATOM 216 O ARG A 27 16.328 -10.644 -13.109 1.00 70.03 O ATOM 217 CB ARG A 27 14.282 -8.269 -13.225 1.00 50.51 C ATOM 218 CG ARG A 27 12.969 -8.048 -13.919 1.00 52.33 C ATOM 219 CD ARG A 27 12.672 -6.691 -14.379 1.00 64.32 C ATOM 220 NE ARG A 27 11.249 -6.685 -14.721 1.00 33.30 N ATOM 221 CZ ARG A 27 10.403 -5.687 -14.635 1.00 62.34 C ATOM 222 NH1 ARG A 27 10.835 -4.431 -14.553 1.00 22.13 N ATOM 223 NH2 ARG A 27 9.100 -5.949 -14.633 1.00 65.40 N ATOM 0 H ARG A 27 12.891 -8.972 -11.275 1.00 45.23 H new ATOM 0 HA ARG A 27 14.006 -10.297 -13.603 1.00 34.31 H new ATOM 0 HB2 ARG A 27 14.423 -7.564 -12.406 1.00 50.51 H new ATOM 0 HB3 ARG A 27 15.121 -8.136 -13.908 1.00 50.51 H new ATOM 0 HG2 ARG A 27 12.928 -8.713 -14.782 1.00 52.33 H new ATOM 0 HG3 ARG A 27 12.173 -8.356 -13.241 1.00 52.33 H new ATOM 0 HD2 ARG A 27 12.890 -5.959 -13.602 1.00 64.32 H new ATOM 0 HD3 ARG A 27 13.282 -6.429 -15.243 1.00 64.32 H new ATOM 0 HE ARG A 27 10.869 -7.565 -15.069 1.00 33.30 H new ATOM 0 HH11 ARG A 27 11.836 -4.235 -14.557 1.00 22.13 H new ATOM 0 HH12 ARG A 27 10.165 -3.665 -14.487 1.00 22.13 H new ATOM 0 HH21 ARG A 27 8.774 -6.913 -14.698 1.00 65.40 H new ATOM 0 HH22 ARG A 27 8.426 -5.186 -14.567 1.00 65.40 H new ATOM 237 N LEU A 28 15.592 -10.607 -11.003 1.00 62.02 N ATOM 238 CA LEU A 28 16.691 -11.438 -10.528 1.00 15.23 C ATOM 239 C LEU A 28 16.474 -12.845 -11.020 1.00 42.34 C ATOM 240 O LEU A 28 17.385 -13.516 -11.466 1.00 13.54 O ATOM 241 CB LEU A 28 16.766 -11.469 -9.004 1.00 43.11 C ATOM 242 CG LEU A 28 17.114 -10.169 -8.319 1.00 13.23 C ATOM 243 CD1 LEU A 28 17.216 -10.379 -6.831 1.00 52.01 C ATOM 244 CD2 LEU A 28 18.402 -9.624 -8.869 1.00 14.05 C ATOM 0 H LEU A 28 14.957 -10.272 -10.278 1.00 62.02 H new ATOM 0 HA LEU A 28 17.622 -11.017 -10.907 1.00 15.23 H new ATOM 0 HB2 LEU A 28 15.803 -11.809 -8.622 1.00 43.11 H new ATOM 0 HB3 LEU A 28 17.505 -12.216 -8.714 1.00 43.11 H new ATOM 0 HG LEU A 28 16.324 -9.443 -8.511 1.00 13.23 H new ATOM 0 HD11 LEU A 28 17.467 -9.435 -6.347 1.00 52.01 H new ATOM 0 HD12 LEU A 28 16.262 -10.740 -6.448 1.00 52.01 H new ATOM 0 HD13 LEU A 28 17.993 -11.114 -6.620 1.00 52.01 H new ATOM 0 HD21 LEU A 28 18.644 -8.686 -8.368 1.00 14.05 H new ATOM 0 HD22 LEU A 28 19.203 -10.343 -8.699 1.00 14.05 H new ATOM 0 HD23 LEU A 28 18.294 -9.447 -9.939 1.00 14.05 H new ATOM 256 N ILE A 29 15.225 -13.238 -11.002 1.00 44.13 N ATOM 257 CA ILE A 29 14.776 -14.574 -11.362 1.00 62.33 C ATOM 258 C ILE A 29 15.123 -14.947 -12.782 1.00 44.22 C ATOM 259 O ILE A 29 15.306 -16.116 -13.092 1.00 11.24 O ATOM 260 CB ILE A 29 13.247 -14.700 -11.088 1.00 2.42 C ATOM 261 CG1 ILE A 29 13.016 -15.382 -9.776 1.00 12.14 C ATOM 262 CG2 ILE A 29 12.438 -15.350 -12.216 1.00 31.33 C ATOM 263 CD1 ILE A 29 13.665 -14.709 -8.615 1.00 3.33 C ATOM 0 H ILE A 29 14.461 -12.621 -10.728 1.00 44.13 H new ATOM 0 HA ILE A 29 15.311 -15.288 -10.736 1.00 62.33 H new ATOM 0 HB ILE A 29 12.865 -13.680 -11.043 1.00 2.42 H new ATOM 0 HG12 ILE A 29 11.943 -15.441 -9.594 1.00 12.14 H new ATOM 0 HG13 ILE A 29 13.385 -16.405 -9.841 1.00 12.14 H new ATOM 0 HG21 ILE A 29 11.387 -15.393 -11.932 1.00 31.33 H new ATOM 0 HG22 ILE A 29 12.544 -14.760 -13.126 1.00 31.33 H new ATOM 0 HG23 ILE A 29 12.807 -16.360 -12.393 1.00 31.33 H new ATOM 0 HD11 ILE A 29 13.449 -15.266 -7.704 1.00 3.33 H new ATOM 0 HD12 ILE A 29 14.743 -14.673 -8.771 1.00 3.33 H new ATOM 0 HD13 ILE A 29 13.279 -13.694 -8.520 1.00 3.33 H new ATOM 275 N GLN A 30 15.248 -13.964 -13.617 1.00 40.23 N ATOM 276 CA GLN A 30 15.545 -14.192 -15.001 1.00 15.12 C ATOM 277 C GLN A 30 16.984 -14.645 -15.141 1.00 20.43 C ATOM 278 O GLN A 30 17.299 -15.511 -15.942 1.00 44.40 O ATOM 279 CB GLN A 30 15.350 -12.920 -15.782 1.00 73.21 C ATOM 280 CG GLN A 30 14.084 -12.187 -15.440 1.00 52.41 C ATOM 281 CD GLN A 30 13.844 -10.997 -16.346 1.00 74.41 C ATOM 282 OE1 GLN A 30 14.295 -9.900 -16.083 1.00 62.13 O ATOM 283 NE2 GLN A 30 13.122 -11.209 -17.414 1.00 20.44 N ATOM 0 H GLN A 30 15.148 -12.982 -13.362 1.00 40.23 H new ATOM 0 HA GLN A 30 14.876 -14.961 -15.387 1.00 15.12 H new ATOM 0 HB2 GLN A 30 16.200 -12.261 -15.604 1.00 73.21 H new ATOM 0 HB3 GLN A 30 15.347 -13.155 -16.846 1.00 73.21 H new ATOM 0 HG2 GLN A 30 13.239 -12.872 -15.513 1.00 52.41 H new ATOM 0 HG3 GLN A 30 14.131 -11.849 -14.405 1.00 52.41 H new ATOM 0 HE21 GLN A 30 12.758 -12.142 -17.606 1.00 20.44 H new ATOM 0 HE22 GLN A 30 12.922 -10.441 -18.055 1.00 20.44 H new ATOM 292 N GLU A 31 17.841 -14.058 -14.338 1.00 54.03 N ATOM 293 CA GLU A 31 19.254 -14.365 -14.381 1.00 35.43 C ATOM 294 C GLU A 31 19.574 -15.572 -13.514 1.00 42.45 C ATOM 295 O GLU A 31 20.517 -16.309 -13.781 1.00 24.01 O ATOM 296 CB GLU A 31 20.071 -13.160 -13.929 1.00 73.01 C ATOM 297 CG GLU A 31 19.678 -11.889 -14.647 1.00 43.21 C ATOM 298 CD GLU A 31 20.637 -10.764 -14.423 1.00 25.44 C ATOM 299 OE1 GLU A 31 20.474 -9.985 -13.475 1.00 63.05 O ATOM 300 OE2 GLU A 31 21.576 -10.614 -15.231 1.00 72.13 O ATOM 0 H GLU A 31 17.582 -13.359 -13.641 1.00 54.03 H new ATOM 0 HA GLU A 31 19.519 -14.605 -15.411 1.00 35.43 H new ATOM 0 HB2 GLU A 31 19.943 -13.021 -12.856 1.00 73.01 H new ATOM 0 HB3 GLU A 31 21.129 -13.358 -14.101 1.00 73.01 H new ATOM 0 HG2 GLU A 31 19.608 -12.090 -15.716 1.00 43.21 H new ATOM 0 HG3 GLU A 31 18.686 -11.584 -14.314 1.00 43.21 H new ATOM 307 N LEU A 32 18.782 -15.765 -12.475 1.00 51.14 N ATOM 308 CA LEU A 32 18.999 -16.840 -11.544 1.00 3.42 C ATOM 309 C LEU A 32 18.307 -18.126 -11.988 1.00 15.43 C ATOM 310 O LEU A 32 18.637 -19.203 -11.502 1.00 30.02 O ATOM 311 CB LEU A 32 18.485 -16.435 -10.161 1.00 33.33 C ATOM 312 CG LEU A 32 19.054 -15.137 -9.596 1.00 51.53 C ATOM 313 CD1 LEU A 32 18.515 -14.854 -8.206 1.00 32.43 C ATOM 314 CD2 LEU A 32 20.580 -15.115 -9.615 1.00 30.22 C ATOM 0 H LEU A 32 17.975 -15.179 -12.259 1.00 51.14 H new ATOM 0 HA LEU A 32 20.071 -17.033 -11.505 1.00 3.42 H new ATOM 0 HB2 LEU A 32 17.400 -16.343 -10.210 1.00 33.33 H new ATOM 0 HB3 LEU A 32 18.706 -17.241 -9.462 1.00 33.33 H new ATOM 0 HG LEU A 32 18.719 -14.335 -10.254 1.00 51.53 H new ATOM 0 HD11 LEU A 32 18.941 -13.922 -7.833 1.00 32.43 H new ATOM 0 HD12 LEU A 32 17.429 -14.766 -8.248 1.00 32.43 H new ATOM 0 HD13 LEU A 32 18.787 -15.670 -7.537 1.00 32.43 H new ATOM 0 HD21 LEU A 32 20.935 -14.171 -9.203 1.00 30.22 H new ATOM 0 HD22 LEU A 32 20.963 -15.940 -9.015 1.00 30.22 H new ATOM 0 HD23 LEU A 32 20.933 -15.219 -10.641 1.00 30.22 H new ATOM 326 N ASN A 33 17.353 -17.980 -12.917 1.00 43.52 N ATOM 327 CA ASN A 33 16.483 -19.071 -13.404 1.00 45.03 C ATOM 328 C ASN A 33 15.769 -19.711 -12.200 1.00 32.54 C ATOM 329 O ASN A 33 16.097 -20.818 -11.747 1.00 4.31 O ATOM 330 CB ASN A 33 17.259 -20.120 -14.243 1.00 32.34 C ATOM 331 CG ASN A 33 16.363 -21.195 -14.869 1.00 43.24 C ATOM 332 OD1 ASN A 33 15.880 -21.049 -15.983 1.00 11.45 O ATOM 333 ND2 ASN A 33 16.136 -22.270 -14.157 1.00 62.34 N ATOM 0 H ASN A 33 17.156 -17.084 -13.363 1.00 43.52 H new ATOM 0 HA ASN A 33 15.740 -18.651 -14.082 1.00 45.03 H new ATOM 0 HB2 ASN A 33 17.804 -19.607 -15.036 1.00 32.34 H new ATOM 0 HB3 ASN A 33 18.001 -20.603 -13.608 1.00 32.34 H new ATOM 0 HD21 ASN A 33 15.543 -23.012 -14.529 1.00 62.34 H new ATOM 0 HD22 ASN A 33 16.552 -22.365 -13.231 1.00 62.34 H new ATOM 340 N LEU A 34 14.849 -18.967 -11.646 1.00 63.33 N ATOM 341 CA LEU A 34 14.221 -19.304 -10.403 1.00 23.22 C ATOM 342 C LEU A 34 12.759 -18.809 -10.431 1.00 43.34 C ATOM 343 O LEU A 34 12.303 -18.331 -11.453 1.00 2.44 O ATOM 344 CB LEU A 34 15.039 -18.562 -9.345 1.00 2.24 C ATOM 345 CG LEU A 34 14.703 -18.734 -7.893 1.00 64.32 C ATOM 346 CD1 LEU A 34 14.949 -20.165 -7.463 1.00 41.52 C ATOM 347 CD2 LEU A 34 15.542 -17.767 -7.106 1.00 15.33 C ATOM 0 H LEU A 34 14.512 -18.096 -12.055 1.00 63.33 H new ATOM 0 HA LEU A 34 14.194 -20.375 -10.203 1.00 23.22 H new ATOM 0 HB2 LEU A 34 16.081 -18.853 -9.475 1.00 2.24 H new ATOM 0 HB3 LEU A 34 14.975 -17.498 -9.571 1.00 2.24 H new ATOM 0 HG LEU A 34 13.648 -18.525 -7.714 1.00 64.32 H new ATOM 0 HD11 LEU A 34 14.701 -20.275 -6.407 1.00 41.52 H new ATOM 0 HD12 LEU A 34 14.325 -20.835 -8.054 1.00 41.52 H new ATOM 0 HD13 LEU A 34 15.998 -20.416 -7.617 1.00 41.52 H new ATOM 0 HD21 LEU A 34 15.318 -17.871 -6.044 1.00 15.33 H new ATOM 0 HD22 LEU A 34 16.598 -17.979 -7.276 1.00 15.33 H new ATOM 0 HD23 LEU A 34 15.320 -16.749 -7.426 1.00 15.33 H new ATOM 359 N THR A 35 12.028 -18.966 -9.342 1.00 12.32 N ATOM 360 CA THR A 35 10.693 -18.421 -9.234 1.00 73.13 C ATOM 361 C THR A 35 10.812 -17.241 -8.239 1.00 55.14 C ATOM 362 O THR A 35 11.559 -17.352 -7.272 1.00 32.35 O ATOM 363 CB THR A 35 9.751 -19.485 -8.662 1.00 34.14 C ATOM 364 OG1 THR A 35 10.239 -20.779 -9.037 1.00 21.23 O ATOM 365 CG2 THR A 35 8.335 -19.340 -9.211 1.00 72.31 C ATOM 0 H THR A 35 12.343 -19.472 -8.514 1.00 12.32 H new ATOM 0 HA THR A 35 10.298 -18.104 -10.199 1.00 73.13 H new ATOM 0 HB THR A 35 9.721 -19.362 -7.579 1.00 34.14 H new ATOM 0 HG1 THR A 35 9.645 -21.470 -8.675 1.00 21.23 H new ATOM 0 HG21 THR A 35 7.697 -20.113 -8.781 1.00 72.31 H new ATOM 0 HG22 THR A 35 7.942 -18.358 -8.949 1.00 72.31 H new ATOM 0 HG23 THR A 35 8.353 -19.446 -10.296 1.00 72.31 H new ATOM 373 N PRO A 36 10.115 -16.108 -8.475 1.00 4.33 N ATOM 374 CA PRO A 36 10.264 -14.852 -7.679 1.00 24.50 C ATOM 375 C PRO A 36 10.172 -15.029 -6.154 1.00 11.42 C ATOM 376 O PRO A 36 10.863 -14.340 -5.389 1.00 1.22 O ATOM 377 CB PRO A 36 9.126 -13.950 -8.191 1.00 15.41 C ATOM 378 CG PRO A 36 8.270 -14.822 -9.057 1.00 2.12 C ATOM 379 CD PRO A 36 9.141 -15.949 -9.539 1.00 43.21 C ATOM 0 HA PRO A 36 11.264 -14.441 -7.820 1.00 24.50 H new ATOM 0 HB2 PRO A 36 8.551 -13.538 -7.362 1.00 15.41 H new ATOM 0 HB3 PRO A 36 9.521 -13.106 -8.756 1.00 15.41 H new ATOM 0 HG2 PRO A 36 7.418 -15.205 -8.496 1.00 2.12 H new ATOM 0 HG3 PRO A 36 7.870 -14.256 -9.898 1.00 2.12 H new ATOM 0 HD2 PRO A 36 8.566 -16.862 -9.695 1.00 43.21 H new ATOM 0 HD3 PRO A 36 9.620 -15.708 -10.488 1.00 43.21 H new ATOM 387 N GLN A 37 9.357 -15.958 -5.728 1.00 50.14 N ATOM 388 CA GLN A 37 9.121 -16.207 -4.320 1.00 30.15 C ATOM 389 C GLN A 37 10.180 -17.136 -3.746 1.00 55.42 C ATOM 390 O GLN A 37 10.332 -17.220 -2.546 1.00 34.42 O ATOM 391 CB GLN A 37 7.727 -16.837 -4.065 1.00 35.01 C ATOM 392 CG GLN A 37 6.533 -16.118 -4.703 1.00 60.11 C ATOM 393 CD GLN A 37 6.248 -16.561 -6.139 1.00 64.11 C ATOM 394 OE1 GLN A 37 7.140 -16.972 -6.879 1.00 44.22 O ATOM 395 NE2 GLN A 37 5.008 -16.481 -6.537 1.00 11.20 N ATOM 0 H GLN A 37 8.831 -16.572 -6.350 1.00 50.14 H new ATOM 0 HA GLN A 37 9.167 -15.236 -3.826 1.00 30.15 H new ATOM 0 HB2 GLN A 37 7.743 -17.864 -4.430 1.00 35.01 H new ATOM 0 HB3 GLN A 37 7.564 -16.883 -2.988 1.00 35.01 H new ATOM 0 HG2 GLN A 37 5.646 -16.294 -4.094 1.00 60.11 H new ATOM 0 HG3 GLN A 37 6.719 -15.044 -4.693 1.00 60.11 H new ATOM 0 HE21 GLN A 37 4.289 -16.136 -5.901 1.00 11.20 H new ATOM 0 HE22 GLN A 37 4.757 -16.763 -7.485 1.00 11.20 H new ATOM 404 N GLN A 38 10.937 -17.789 -4.613 1.00 4.25 N ATOM 405 CA GLN A 38 11.904 -18.791 -4.183 1.00 2.42 C ATOM 406 C GLN A 38 13.280 -18.186 -3.953 1.00 34.45 C ATOM 407 O GLN A 38 14.270 -18.899 -3.832 1.00 10.33 O ATOM 408 CB GLN A 38 11.987 -19.929 -5.209 1.00 4.51 C ATOM 409 CG GLN A 38 10.682 -20.698 -5.389 1.00 71.31 C ATOM 410 CD GLN A 38 10.210 -21.386 -4.117 1.00 21.32 C ATOM 411 OE1 GLN A 38 10.996 -21.783 -3.280 1.00 11.20 O ATOM 412 NE2 GLN A 38 8.918 -21.531 -3.974 1.00 1.22 N ATOM 0 H GLN A 38 10.902 -17.644 -5.622 1.00 4.25 H new ATOM 0 HA GLN A 38 11.558 -19.194 -3.231 1.00 2.42 H new ATOM 0 HB2 GLN A 38 12.289 -19.516 -6.171 1.00 4.51 H new ATOM 0 HB3 GLN A 38 12.768 -20.625 -4.902 1.00 4.51 H new ATOM 0 HG2 GLN A 38 9.908 -20.011 -5.731 1.00 71.31 H new ATOM 0 HG3 GLN A 38 10.814 -21.446 -6.171 1.00 71.31 H new ATOM 0 HE21 GLN A 38 8.283 -21.187 -4.695 1.00 1.22 H new ATOM 0 HE22 GLN A 38 8.545 -21.988 -3.142 1.00 1.22 H new ATOM 421 N LEU A 39 13.354 -16.877 -3.903 1.00 63.31 N ATOM 422 CA LEU A 39 14.612 -16.261 -3.609 1.00 51.12 C ATOM 423 C LEU A 39 14.572 -15.763 -2.186 1.00 3.11 C ATOM 424 O LEU A 39 13.495 -15.419 -1.664 1.00 73.12 O ATOM 425 CB LEU A 39 14.997 -15.131 -4.628 1.00 21.52 C ATOM 426 CG LEU A 39 14.366 -13.727 -4.480 1.00 31.44 C ATOM 427 CD1 LEU A 39 15.036 -12.933 -3.348 1.00 11.53 C ATOM 428 CD2 LEU A 39 14.506 -12.954 -5.769 1.00 55.30 C ATOM 0 H LEU A 39 12.575 -16.237 -4.059 1.00 63.31 H new ATOM 0 HA LEU A 39 15.403 -17.003 -3.715 1.00 51.12 H new ATOM 0 HB2 LEU A 39 16.079 -15.009 -4.587 1.00 21.52 H new ATOM 0 HB3 LEU A 39 14.755 -15.495 -5.627 1.00 21.52 H new ATOM 0 HG LEU A 39 13.311 -13.863 -4.240 1.00 31.44 H new ATOM 0 HD11 LEU A 39 14.571 -11.950 -3.268 1.00 11.53 H new ATOM 0 HD12 LEU A 39 14.915 -13.469 -2.407 1.00 11.53 H new ATOM 0 HD13 LEU A 39 16.098 -12.815 -3.565 1.00 11.53 H new ATOM 0 HD21 LEU A 39 14.058 -11.967 -5.652 1.00 55.30 H new ATOM 0 HD22 LEU A 39 15.562 -12.846 -6.016 1.00 55.30 H new ATOM 0 HD23 LEU A 39 13.999 -13.490 -6.571 1.00 55.30 H new ATOM 440 N HIS A 40 15.719 -15.675 -1.600 1.00 71.15 N ATOM 441 CA HIS A 40 15.879 -15.246 -0.238 1.00 50.10 C ATOM 442 C HIS A 40 16.127 -13.753 -0.217 1.00 75.13 C ATOM 443 O HIS A 40 17.137 -13.297 -0.759 1.00 5.04 O ATOM 444 CB HIS A 40 17.107 -15.913 0.333 1.00 54.11 C ATOM 445 CG HIS A 40 17.125 -17.419 0.265 1.00 71.12 C ATOM 446 ND1 HIS A 40 18.033 -18.142 -0.488 1.00 13.01 N ATOM 447 CD2 HIS A 40 16.350 -18.337 0.891 1.00 24.22 C ATOM 448 CE1 HIS A 40 17.781 -19.441 -0.301 1.00 54.24 C ATOM 449 NE2 HIS A 40 16.774 -19.617 0.525 1.00 43.31 N ATOM 0 H HIS A 40 16.599 -15.904 -2.062 1.00 71.15 H new ATOM 0 HA HIS A 40 14.987 -15.499 0.335 1.00 50.10 H new ATOM 0 HB2 HIS A 40 17.982 -15.533 -0.194 1.00 54.11 H new ATOM 0 HB3 HIS A 40 17.209 -15.614 1.376 1.00 54.11 H new ATOM 0 HD2 HIS A 40 15.535 -18.115 1.565 1.00 24.22 H new ATOM 0 HE1 HIS A 40 18.334 -20.243 -0.768 1.00 54.24 H new ATOM 0 HE2 HIS A 40 16.382 -20.506 0.835 1.00 43.31 H new ATOM 457 N GLU A 41 15.213 -12.976 0.325 1.00 14.20 N ATOM 458 CA GLU A 41 15.453 -11.545 0.377 1.00 3.13 C ATOM 459 C GLU A 41 16.245 -11.165 1.597 1.00 35.22 C ATOM 460 O GLU A 41 16.892 -10.126 1.625 1.00 13.12 O ATOM 461 CB GLU A 41 14.201 -10.690 0.265 1.00 34.35 C ATOM 462 CG GLU A 41 13.197 -10.800 1.378 1.00 32.40 C ATOM 463 CD GLU A 41 12.134 -9.752 1.202 1.00 35.33 C ATOM 464 OE1 GLU A 41 12.335 -8.623 1.647 1.00 14.42 O ATOM 465 OE2 GLU A 41 11.118 -10.044 0.545 1.00 54.44 O ATOM 0 H GLU A 41 14.328 -13.292 0.723 1.00 14.20 H new ATOM 0 HA GLU A 41 16.040 -11.328 -0.515 1.00 3.13 H new ATOM 0 HB2 GLU A 41 14.509 -9.647 0.189 1.00 34.35 H new ATOM 0 HB3 GLU A 41 13.700 -10.944 -0.669 1.00 34.35 H new ATOM 0 HG2 GLU A 41 12.747 -11.793 1.379 1.00 32.40 H new ATOM 0 HG3 GLU A 41 13.691 -10.673 2.341 1.00 32.40 H new ATOM 472 N GLU A 42 16.140 -11.991 2.598 1.00 43.43 N ATOM 473 CA GLU A 42 16.804 -11.816 3.869 1.00 61.42 C ATOM 474 C GLU A 42 18.202 -12.440 3.838 1.00 63.04 C ATOM 475 O GLU A 42 19.104 -12.016 4.561 1.00 11.35 O ATOM 476 CB GLU A 42 15.926 -12.407 5.014 1.00 61.24 C ATOM 477 CG GLU A 42 15.749 -13.942 5.026 1.00 40.12 C ATOM 478 CD GLU A 42 15.387 -14.532 3.674 1.00 62.51 C ATOM 479 OE1 GLU A 42 14.383 -14.116 3.069 1.00 44.05 O ATOM 480 OE2 GLU A 42 16.198 -15.299 3.150 1.00 33.25 O ATOM 0 H GLU A 42 15.571 -12.836 2.556 1.00 43.43 H new ATOM 0 HA GLU A 42 16.933 -10.751 4.063 1.00 61.42 H new ATOM 0 HB2 GLU A 42 16.361 -12.106 5.967 1.00 61.24 H new ATOM 0 HB3 GLU A 42 14.938 -11.950 4.957 1.00 61.24 H new ATOM 0 HG2 GLU A 42 16.673 -14.401 5.376 1.00 40.12 H new ATOM 0 HG3 GLU A 42 14.972 -14.202 5.745 1.00 40.12 H new ATOM 487 N SER A 43 18.367 -13.442 3.001 1.00 4.03 N ATOM 488 CA SER A 43 19.638 -14.067 2.810 1.00 31.30 C ATOM 489 C SER A 43 20.408 -13.336 1.727 1.00 45.11 C ATOM 490 O SER A 43 19.847 -12.511 0.992 1.00 14.31 O ATOM 491 CB SER A 43 19.471 -15.514 2.441 1.00 43.50 C ATOM 492 OG SER A 43 18.700 -16.204 3.415 1.00 51.02 O ATOM 0 H SER A 43 17.616 -13.840 2.437 1.00 4.03 H new ATOM 0 HA SER A 43 20.196 -14.018 3.745 1.00 31.30 H new ATOM 0 HB2 SER A 43 18.986 -15.591 1.468 1.00 43.50 H new ATOM 0 HB3 SER A 43 20.450 -15.984 2.348 1.00 43.50 H new ATOM 0 HG SER A 43 17.833 -15.760 3.520 1.00 51.02 H new ATOM 498 N ASN A 44 21.669 -13.650 1.608 1.00 33.04 N ATOM 499 CA ASN A 44 22.541 -12.903 0.738 1.00 62.12 C ATOM 500 C ASN A 44 22.358 -13.281 -0.727 1.00 3.55 C ATOM 501 O ASN A 44 22.387 -14.456 -1.098 1.00 1.52 O ATOM 502 CB ASN A 44 24.003 -13.046 1.180 1.00 33.23 C ATOM 503 CG ASN A 44 24.961 -12.019 0.578 1.00 2.12 C ATOM 504 OD1 ASN A 44 24.763 -11.513 -0.505 1.00 1.34 O ATOM 505 ND2 ASN A 44 26.024 -11.725 1.286 1.00 44.22 N ATOM 0 H ASN A 44 22.118 -14.420 2.103 1.00 33.04 H new ATOM 0 HA ASN A 44 22.263 -11.852 0.823 1.00 62.12 H new ATOM 0 HB2 ASN A 44 24.048 -12.970 2.266 1.00 33.23 H new ATOM 0 HB3 ASN A 44 24.351 -14.045 0.916 1.00 33.23 H new ATOM 0 HD21 ASN A 44 26.707 -11.057 0.928 1.00 44.22 H new ATOM 0 HD22 ASN A 44 26.169 -12.164 2.195 1.00 44.22 H new ATOM 512 N LEU A 45 22.210 -12.260 -1.542 1.00 65.12 N ATOM 513 CA LEU A 45 22.014 -12.399 -2.970 1.00 74.22 C ATOM 514 C LEU A 45 23.313 -12.762 -3.686 1.00 55.34 C ATOM 515 O LEU A 45 23.282 -13.358 -4.748 1.00 61.03 O ATOM 516 CB LEU A 45 21.457 -11.104 -3.556 1.00 74.24 C ATOM 517 CG LEU A 45 20.112 -10.629 -3.007 1.00 71.50 C ATOM 518 CD1 LEU A 45 19.746 -9.302 -3.625 1.00 12.02 C ATOM 519 CD2 LEU A 45 19.020 -11.658 -3.275 1.00 41.14 C ATOM 0 H LEU A 45 22.223 -11.290 -1.225 1.00 65.12 H new ATOM 0 HA LEU A 45 21.301 -13.210 -3.123 1.00 74.22 H new ATOM 0 HB2 LEU A 45 22.190 -10.314 -3.394 1.00 74.24 H new ATOM 0 HB3 LEU A 45 21.359 -11.232 -4.634 1.00 74.24 H new ATOM 0 HG LEU A 45 20.202 -10.507 -1.928 1.00 71.50 H new ATOM 0 HD11 LEU A 45 18.786 -8.969 -3.230 1.00 12.02 H new ATOM 0 HD12 LEU A 45 20.513 -8.565 -3.385 1.00 12.02 H new ATOM 0 HD13 LEU A 45 19.674 -9.412 -4.707 1.00 12.02 H new ATOM 0 HD21 LEU A 45 18.073 -11.296 -2.875 1.00 41.14 H new ATOM 0 HD22 LEU A 45 18.924 -11.815 -4.349 1.00 41.14 H new ATOM 0 HD23 LEU A 45 19.281 -12.600 -2.793 1.00 41.14 H new ATOM 531 N ILE A 46 24.455 -12.443 -3.077 1.00 62.35 N ATOM 532 CA ILE A 46 25.768 -12.728 -3.697 1.00 11.02 C ATOM 533 C ILE A 46 26.059 -14.243 -3.577 1.00 20.24 C ATOM 534 O ILE A 46 27.034 -14.764 -4.101 1.00 64.11 O ATOM 535 CB ILE A 46 26.933 -11.895 -3.035 1.00 51.14 C ATOM 536 CG1 ILE A 46 26.559 -10.411 -2.868 1.00 70.31 C ATOM 537 CG2 ILE A 46 28.221 -11.980 -3.859 1.00 71.23 C ATOM 538 CD1 ILE A 46 26.249 -9.660 -4.151 1.00 44.33 C ATOM 0 H ILE A 46 24.508 -11.991 -2.164 1.00 62.35 H new ATOM 0 HA ILE A 46 25.723 -12.432 -4.745 1.00 11.02 H new ATOM 0 HB ILE A 46 27.095 -12.336 -2.051 1.00 51.14 H new ATOM 0 HG12 ILE A 46 25.691 -10.346 -2.212 1.00 70.31 H new ATOM 0 HG13 ILE A 46 27.380 -9.904 -2.361 1.00 70.31 H new ATOM 0 HG21 ILE A 46 29.002 -11.395 -3.374 1.00 71.23 H new ATOM 0 HG22 ILE A 46 28.539 -13.020 -3.931 1.00 71.23 H new ATOM 0 HG23 ILE A 46 28.040 -11.586 -4.859 1.00 71.23 H new ATOM 0 HD11 ILE A 46 25.999 -8.626 -3.916 1.00 44.33 H new ATOM 0 HD12 ILE A 46 27.120 -9.683 -4.805 1.00 44.33 H new ATOM 0 HD13 ILE A 46 25.405 -10.132 -4.654 1.00 44.33 H new ATOM 550 N GLN A 47 25.196 -14.930 -2.850 1.00 20.40 N ATOM 551 CA GLN A 47 25.260 -16.369 -2.743 1.00 44.40 C ATOM 552 C GLN A 47 24.527 -17.037 -3.904 1.00 30.24 C ATOM 553 O GLN A 47 24.554 -18.255 -4.058 1.00 75.51 O ATOM 554 CB GLN A 47 24.777 -16.878 -1.379 1.00 24.01 C ATOM 555 CG GLN A 47 25.898 -17.037 -0.342 1.00 34.21 C ATOM 556 CD GLN A 47 26.686 -15.765 -0.062 1.00 31.51 C ATOM 557 OE1 GLN A 47 26.355 -15.001 0.827 1.00 24.14 O ATOM 558 NE2 GLN A 47 27.728 -15.532 -0.823 1.00 22.43 N ATOM 0 H GLN A 47 24.435 -14.504 -2.321 1.00 20.40 H new ATOM 0 HA GLN A 47 26.310 -16.653 -2.812 1.00 44.40 H new ATOM 0 HB2 GLN A 47 24.029 -16.188 -0.988 1.00 24.01 H new ATOM 0 HB3 GLN A 47 24.282 -17.840 -1.515 1.00 24.01 H new ATOM 0 HG2 GLN A 47 25.463 -17.393 0.592 1.00 34.21 H new ATOM 0 HG3 GLN A 47 26.587 -17.808 -0.687 1.00 34.21 H new ATOM 0 HE21 GLN A 47 27.979 -16.192 -1.559 1.00 22.43 H new ATOM 0 HE22 GLN A 47 28.287 -14.691 -0.679 1.00 22.43 H new ATOM 567 N ALA A 48 23.854 -16.225 -4.697 1.00 60.15 N ATOM 568 CA ALA A 48 23.178 -16.687 -5.879 1.00 33.25 C ATOM 569 C ALA A 48 24.061 -16.388 -7.089 1.00 21.23 C ATOM 570 O ALA A 48 25.115 -15.765 -6.949 1.00 50.41 O ATOM 571 CB ALA A 48 21.817 -16.015 -6.014 1.00 5.04 C ATOM 0 H ALA A 48 23.765 -15.222 -4.532 1.00 60.15 H new ATOM 0 HA ALA A 48 23.004 -17.761 -5.813 1.00 33.25 H new ATOM 0 HB1 ALA A 48 21.320 -16.377 -6.914 1.00 5.04 H new ATOM 0 HB2 ALA A 48 21.206 -16.251 -5.143 1.00 5.04 H new ATOM 0 HB3 ALA A 48 21.950 -14.935 -6.082 1.00 5.04 H new ATOM 577 N GLY A 49 23.639 -16.803 -8.265 1.00 61.24 N ATOM 578 CA GLY A 49 24.462 -16.604 -9.434 1.00 44.23 C ATOM 579 C GLY A 49 24.325 -15.218 -10.026 1.00 72.10 C ATOM 580 O GLY A 49 23.506 -14.989 -10.909 1.00 73.24 O ATOM 0 H GLY A 49 22.749 -17.271 -8.434 1.00 61.24 H new ATOM 0 HA2 GLY A 49 25.505 -16.779 -9.171 1.00 44.23 H new ATOM 0 HA3 GLY A 49 24.195 -17.343 -10.189 1.00 44.23 H new ATOM 584 N LEU A 50 25.130 -14.312 -9.549 1.00 12.33 N ATOM 585 CA LEU A 50 25.178 -12.975 -10.048 1.00 40.12 C ATOM 586 C LEU A 50 26.593 -12.444 -9.929 1.00 74.14 C ATOM 587 O LEU A 50 27.396 -12.982 -9.168 1.00 32.11 O ATOM 588 CB LEU A 50 24.136 -12.064 -9.339 1.00 55.21 C ATOM 589 CG LEU A 50 24.146 -11.959 -7.816 1.00 44.14 C ATOM 590 CD1 LEU A 50 25.302 -11.112 -7.301 1.00 12.24 C ATOM 591 CD2 LEU A 50 22.825 -11.402 -7.353 1.00 45.03 C ATOM 0 H LEU A 50 25.783 -14.490 -8.786 1.00 12.33 H new ATOM 0 HA LEU A 50 24.904 -12.975 -11.103 1.00 40.12 H new ATOM 0 HB2 LEU A 50 24.258 -11.057 -9.737 1.00 55.21 H new ATOM 0 HB3 LEU A 50 23.145 -12.407 -9.637 1.00 55.21 H new ATOM 0 HG LEU A 50 24.291 -12.958 -7.406 1.00 44.14 H new ATOM 0 HD11 LEU A 50 25.264 -11.068 -6.213 1.00 12.24 H new ATOM 0 HD12 LEU A 50 26.247 -11.557 -7.614 1.00 12.24 H new ATOM 0 HD13 LEU A 50 25.224 -10.104 -7.707 1.00 12.24 H new ATOM 0 HD21 LEU A 50 22.824 -11.324 -6.266 1.00 45.03 H new ATOM 0 HD22 LEU A 50 22.674 -10.414 -7.788 1.00 45.03 H new ATOM 0 HD23 LEU A 50 22.020 -12.065 -7.670 1.00 45.03 H new ATOM 603 N ASP A 51 26.881 -11.434 -10.674 1.00 12.20 N ATOM 604 CA ASP A 51 28.177 -10.787 -10.692 1.00 3.43 C ATOM 605 C ASP A 51 27.975 -9.296 -10.436 1.00 11.21 C ATOM 606 O ASP A 51 26.940 -8.896 -9.881 1.00 12.50 O ATOM 607 CB ASP A 51 28.916 -11.052 -12.030 1.00 31.24 C ATOM 608 CG ASP A 51 28.061 -10.798 -13.250 1.00 33.41 C ATOM 609 OD1 ASP A 51 27.464 -9.719 -13.368 1.00 71.00 O ATOM 610 OD2 ASP A 51 27.922 -11.707 -14.098 1.00 53.30 O ATOM 0 H ASP A 51 26.209 -11.010 -11.314 1.00 12.20 H new ATOM 0 HA ASP A 51 28.810 -11.200 -9.907 1.00 3.43 H new ATOM 0 HB2 ASP A 51 29.802 -10.419 -12.078 1.00 31.24 H new ATOM 0 HB3 ASP A 51 29.262 -12.086 -12.047 1.00 31.24 H new ATOM 680 N ILE A 53 27.946 -6.848 -12.708 1.00 32.12 N ATOM 681 CA ILE A 53 27.296 -6.153 -13.759 1.00 33.44 C ATOM 682 C ILE A 53 25.803 -6.193 -13.470 1.00 1.10 C ATOM 683 O ILE A 53 25.023 -5.327 -13.891 1.00 21.41 O ATOM 684 CB ILE A 53 27.670 -6.760 -15.149 1.00 63.03 C ATOM 685 CG1 ILE A 53 27.846 -5.671 -16.198 1.00 74.30 C ATOM 686 CG2 ILE A 53 26.671 -7.817 -15.647 1.00 71.32 C ATOM 687 CD1 ILE A 53 26.633 -4.799 -16.402 1.00 61.44 C ATOM 0 HA ILE A 53 27.622 -5.114 -13.807 1.00 33.44 H new ATOM 0 HB ILE A 53 28.621 -7.272 -14.998 1.00 63.03 H new ATOM 0 HG12 ILE A 53 28.687 -5.040 -15.911 1.00 74.30 H new ATOM 0 HG13 ILE A 53 28.107 -6.138 -17.148 1.00 74.30 H new ATOM 0 HG21 ILE A 53 26.994 -8.195 -16.617 1.00 71.32 H new ATOM 0 HG22 ILE A 53 26.626 -8.640 -14.934 1.00 71.32 H new ATOM 0 HG23 ILE A 53 25.683 -7.367 -15.744 1.00 71.32 H new ATOM 0 HD11 ILE A 53 26.847 -4.051 -17.166 1.00 61.44 H new ATOM 0 HD12 ILE A 53 25.792 -5.414 -16.722 1.00 61.44 H new ATOM 0 HD13 ILE A 53 26.382 -4.300 -15.466 1.00 61.44 H new ATOM 699 N ARG A 54 25.426 -7.183 -12.692 1.00 41.55 N ATOM 700 CA ARG A 54 24.075 -7.313 -12.255 1.00 12.25 C ATOM 701 C ARG A 54 23.841 -6.179 -11.298 1.00 41.22 C ATOM 702 O ARG A 54 22.923 -5.395 -11.469 1.00 4.13 O ATOM 703 CB ARG A 54 23.859 -8.642 -11.555 1.00 44.31 C ATOM 704 CG ARG A 54 24.558 -9.755 -12.255 1.00 4.33 C ATOM 705 CD ARG A 54 24.136 -9.983 -13.686 1.00 54.52 C ATOM 706 NE ARG A 54 25.115 -10.855 -14.328 1.00 11.22 N ATOM 707 CZ ARG A 54 24.876 -11.903 -15.110 1.00 73.25 C ATOM 708 NH1 ARG A 54 23.650 -12.166 -15.553 1.00 30.23 N ATOM 709 NH2 ARG A 54 25.896 -12.668 -15.470 1.00 62.44 N ATOM 0 H ARG A 54 26.053 -7.912 -12.352 1.00 41.55 H new ATOM 0 HA ARG A 54 23.384 -7.281 -13.097 1.00 12.25 H new ATOM 0 HB2 ARG A 54 24.219 -8.575 -10.528 1.00 44.31 H new ATOM 0 HB3 ARG A 54 22.792 -8.857 -11.505 1.00 44.31 H new ATOM 0 HG2 ARG A 54 25.630 -9.558 -12.237 1.00 4.33 H new ATOM 0 HG3 ARG A 54 24.394 -10.675 -11.694 1.00 4.33 H new ATOM 0 HD2 ARG A 54 23.146 -10.437 -13.720 1.00 54.52 H new ATOM 0 HD3 ARG A 54 24.070 -9.033 -14.217 1.00 54.52 H new ATOM 0 HE ARG A 54 26.096 -10.635 -14.157 1.00 11.22 H new ATOM 0 HH11 ARG A 54 22.873 -11.559 -15.294 1.00 30.23 H new ATOM 0 HH12 ARG A 54 23.487 -12.975 -16.152 1.00 30.23 H new ATOM 0 HH21 ARG A 54 26.838 -12.447 -15.148 1.00 62.44 H new ATOM 0 HH22 ARG A 54 25.739 -13.478 -16.070 1.00 62.44 H new ATOM 723 N LEU A 55 24.781 -6.039 -10.350 1.00 0.03 N ATOM 724 CA LEU A 55 24.740 -4.986 -9.333 1.00 61.20 C ATOM 725 C LEU A 55 24.708 -3.601 -9.948 1.00 53.13 C ATOM 726 O LEU A 55 23.833 -2.805 -9.615 1.00 21.04 O ATOM 727 CB LEU A 55 25.918 -5.094 -8.351 1.00 61.23 C ATOM 728 CG LEU A 55 25.717 -5.907 -7.055 1.00 32.14 C ATOM 729 CD1 LEU A 55 24.723 -5.223 -6.127 1.00 35.20 C ATOM 730 CD2 LEU A 55 25.292 -7.336 -7.342 1.00 1.05 C ATOM 0 H LEU A 55 25.590 -6.655 -10.270 1.00 0.03 H new ATOM 0 HA LEU A 55 23.813 -5.135 -8.780 1.00 61.20 H new ATOM 0 HB2 LEU A 55 26.761 -5.529 -8.889 1.00 61.23 H new ATOM 0 HB3 LEU A 55 26.208 -4.082 -8.067 1.00 61.23 H new ATOM 0 HG LEU A 55 26.682 -5.949 -6.551 1.00 32.14 H new ATOM 0 HD11 LEU A 55 24.601 -5.818 -5.222 1.00 35.20 H new ATOM 0 HD12 LEU A 55 25.094 -4.233 -5.863 1.00 35.20 H new ATOM 0 HD13 LEU A 55 23.761 -5.128 -6.631 1.00 35.20 H new ATOM 0 HD21 LEU A 55 25.162 -7.873 -6.402 1.00 1.05 H new ATOM 0 HD22 LEU A 55 24.350 -7.332 -7.891 1.00 1.05 H new ATOM 0 HD23 LEU A 55 26.058 -7.831 -7.939 1.00 1.05 H new ATOM 742 N MET A 56 25.635 -3.314 -10.861 1.00 14.01 N ATOM 743 CA MET A 56 25.684 -1.989 -11.496 1.00 14.00 C ATOM 744 C MET A 56 24.411 -1.685 -12.277 1.00 44.35 C ATOM 745 O MET A 56 23.988 -0.525 -12.367 1.00 64.41 O ATOM 746 CB MET A 56 26.936 -1.806 -12.361 1.00 5.24 C ATOM 747 CG MET A 56 28.252 -1.432 -11.625 1.00 45.14 C ATOM 748 SD MET A 56 28.753 -2.519 -10.254 1.00 2.14 S ATOM 749 CE MET A 56 27.817 -1.891 -8.876 1.00 52.52 C ATOM 0 H MET A 56 26.353 -3.966 -11.177 1.00 14.01 H new ATOM 0 HA MET A 56 25.749 -1.260 -10.689 1.00 14.00 H new ATOM 0 HB2 MET A 56 27.106 -2.732 -12.911 1.00 5.24 H new ATOM 0 HB3 MET A 56 26.728 -1.031 -13.099 1.00 5.24 H new ATOM 0 HG2 MET A 56 29.059 -1.413 -12.358 1.00 45.14 H new ATOM 0 HG3 MET A 56 28.150 -0.419 -11.237 1.00 45.14 H new ATOM 0 HE1 MET A 56 27.859 -2.604 -8.053 1.00 52.52 H new ATOM 0 HE2 MET A 56 28.238 -0.939 -8.554 1.00 52.52 H new ATOM 0 HE3 MET A 56 26.780 -1.745 -9.177 1.00 52.52 H new ATOM 759 N ARG A 57 23.784 -2.724 -12.809 1.00 22.23 N ATOM 760 CA ARG A 57 22.526 -2.583 -13.483 1.00 32.24 C ATOM 761 C ARG A 57 21.446 -2.212 -12.490 1.00 4.44 C ATOM 762 O ARG A 57 20.680 -1.286 -12.727 1.00 65.13 O ATOM 763 CB ARG A 57 22.147 -3.846 -14.129 1.00 50.45 C ATOM 764 CG ARG A 57 21.087 -3.609 -15.143 1.00 61.25 C ATOM 765 CD ARG A 57 20.331 -4.824 -15.338 1.00 33.10 C ATOM 766 NE ARG A 57 21.157 -5.928 -15.850 1.00 12.14 N ATOM 767 CZ ARG A 57 21.116 -7.196 -15.397 1.00 45.11 C ATOM 768 NH1 ARG A 57 20.359 -7.514 -14.352 1.00 21.31 N ATOM 769 NH2 ARG A 57 21.858 -8.128 -15.975 1.00 53.30 N ATOM 0 H ARG A 57 24.141 -3.679 -12.780 1.00 22.23 H new ATOM 0 HA ARG A 57 22.630 -1.801 -14.235 1.00 32.24 H new ATOM 0 HB2 ARG A 57 23.019 -4.296 -14.603 1.00 50.45 H new ATOM 0 HB3 ARG A 57 21.791 -4.553 -13.380 1.00 50.45 H new ATOM 0 HG2 ARG A 57 20.427 -2.806 -14.815 1.00 61.25 H new ATOM 0 HG3 ARG A 57 21.534 -3.290 -16.085 1.00 61.25 H new ATOM 0 HD2 ARG A 57 19.879 -5.122 -14.392 1.00 33.10 H new ATOM 0 HD3 ARG A 57 19.515 -4.632 -16.035 1.00 33.10 H new ATOM 0 HE ARG A 57 21.810 -5.718 -16.605 1.00 12.14 H new ATOM 0 HH11 ARG A 57 19.804 -6.796 -13.887 1.00 21.31 H new ATOM 0 HH12 ARG A 57 20.333 -8.476 -14.015 1.00 21.31 H new ATOM 0 HH21 ARG A 57 22.460 -7.885 -16.762 1.00 53.30 H new ATOM 0 HH22 ARG A 57 21.828 -9.089 -15.633 1.00 53.30 H new ATOM 783 N TRP A 58 21.409 -2.934 -11.364 1.00 73.34 N ATOM 784 CA TRP A 58 20.451 -2.680 -10.287 1.00 35.02 C ATOM 785 C TRP A 58 20.515 -1.267 -9.810 1.00 61.45 C ATOM 786 O TRP A 58 19.486 -0.596 -9.730 1.00 72.25 O ATOM 787 CB TRP A 58 20.599 -3.704 -9.152 1.00 63.34 C ATOM 788 CG TRP A 58 20.320 -5.092 -9.634 1.00 41.22 C ATOM 789 CD1 TRP A 58 21.062 -6.198 -9.390 1.00 64.13 C ATOM 790 CD2 TRP A 58 19.227 -5.514 -10.486 1.00 35.21 C ATOM 791 NE1 TRP A 58 20.540 -7.272 -10.068 1.00 1.35 N ATOM 792 CE2 TRP A 58 19.409 -6.876 -10.734 1.00 15.12 C ATOM 793 CE3 TRP A 58 18.117 -4.867 -11.067 1.00 72.54 C ATOM 794 CZ2 TRP A 58 18.541 -7.606 -11.537 1.00 25.12 C ATOM 795 CZ3 TRP A 58 17.258 -5.599 -11.851 1.00 75.25 C ATOM 796 CH2 TRP A 58 17.475 -6.952 -12.083 1.00 41.43 C ATOM 0 H TRP A 58 22.043 -3.710 -11.176 1.00 73.34 H new ATOM 0 HA TRP A 58 19.449 -2.814 -10.694 1.00 35.02 H new ATOM 0 HB2 TRP A 58 21.608 -3.654 -8.744 1.00 63.34 H new ATOM 0 HB3 TRP A 58 19.915 -3.454 -8.342 1.00 63.34 H new ATOM 0 HD1 TRP A 58 21.936 -6.231 -8.756 1.00 64.13 H new ATOM 0 HE1 TRP A 58 20.931 -8.214 -10.075 1.00 1.35 H new ATOM 0 HE3 TRP A 58 17.945 -3.814 -10.899 1.00 72.54 H new ATOM 0 HZ2 TRP A 58 18.705 -8.657 -11.723 1.00 25.12 H new ATOM 0 HZ3 TRP A 58 16.400 -5.115 -12.294 1.00 75.25 H new ATOM 0 HH2 TRP A 58 16.785 -7.498 -12.709 1.00 41.43 H new ATOM 807 N LEU A 59 21.719 -0.788 -9.585 1.00 53.30 N ATOM 808 CA LEU A 59 21.970 0.585 -9.129 1.00 11.43 C ATOM 809 C LEU A 59 21.262 1.614 -9.949 1.00 24.52 C ATOM 810 O LEU A 59 20.543 2.458 -9.422 1.00 64.41 O ATOM 811 CB LEU A 59 23.452 0.890 -9.166 1.00 15.32 C ATOM 812 CG LEU A 59 24.203 0.700 -7.881 1.00 2.32 C ATOM 813 CD1 LEU A 59 23.747 1.730 -6.859 1.00 53.13 C ATOM 814 CD2 LEU A 59 24.032 -0.709 -7.364 1.00 55.10 C ATOM 0 H LEU A 59 22.569 -1.338 -9.711 1.00 53.30 H new ATOM 0 HA LEU A 59 21.585 0.637 -8.111 1.00 11.43 H new ATOM 0 HB2 LEU A 59 23.912 0.260 -9.927 1.00 15.32 H new ATOM 0 HB3 LEU A 59 23.580 1.924 -9.488 1.00 15.32 H new ATOM 0 HG LEU A 59 25.267 0.850 -8.065 1.00 2.32 H new ATOM 0 HD11 LEU A 59 24.296 1.587 -5.928 1.00 53.13 H new ATOM 0 HD12 LEU A 59 23.938 2.732 -7.242 1.00 53.13 H new ATOM 0 HD13 LEU A 59 22.680 1.610 -6.673 1.00 53.13 H new ATOM 0 HD21 LEU A 59 24.585 -0.824 -6.432 1.00 55.10 H new ATOM 0 HD22 LEU A 59 22.975 -0.905 -7.185 1.00 55.10 H new ATOM 0 HD23 LEU A 59 24.413 -1.416 -8.101 1.00 55.10 H new ATOM 826 N HIS A 60 21.446 1.518 -11.221 1.00 1.23 N ATOM 827 CA HIS A 60 20.920 2.467 -12.151 1.00 34.50 C ATOM 828 C HIS A 60 19.416 2.226 -12.363 1.00 34.20 C ATOM 829 O HIS A 60 18.656 3.143 -12.672 1.00 3.04 O ATOM 830 CB HIS A 60 21.731 2.336 -13.433 1.00 31.11 C ATOM 831 CG HIS A 60 21.435 3.355 -14.510 1.00 50.13 C ATOM 832 ND1 HIS A 60 22.203 4.481 -14.733 1.00 33.40 N ATOM 833 CD2 HIS A 60 20.457 3.384 -15.450 1.00 24.54 C ATOM 834 CE1 HIS A 60 21.677 5.139 -15.773 1.00 4.41 C ATOM 835 NE2 HIS A 60 20.620 4.516 -16.243 1.00 70.14 N ATOM 0 H HIS A 60 21.977 0.763 -11.656 1.00 1.23 H new ATOM 0 HA HIS A 60 21.007 3.488 -11.780 1.00 34.50 H new ATOM 0 HB2 HIS A 60 22.789 2.402 -13.179 1.00 31.11 H new ATOM 0 HB3 HIS A 60 21.564 1.341 -13.846 1.00 31.11 H new ATOM 0 HD2 HIS A 60 19.677 2.646 -15.565 1.00 24.54 H new ATOM 0 HE1 HIS A 60 22.070 6.062 -16.174 1.00 4.41 H new ATOM 0 HE2 HIS A 60 20.037 4.804 -17.029 1.00 70.14 H new ATOM 843 N TRP A 61 19.004 1.013 -12.113 1.00 53.41 N ATOM 844 CA TRP A 61 17.640 0.603 -12.279 1.00 51.23 C ATOM 845 C TRP A 61 16.731 1.234 -11.195 1.00 71.12 C ATOM 846 O TRP A 61 15.727 1.840 -11.505 1.00 24.25 O ATOM 847 CB TRP A 61 17.576 -0.911 -12.270 1.00 63.40 C ATOM 848 CG TRP A 61 16.246 -1.449 -12.605 1.00 61.14 C ATOM 849 CD1 TRP A 61 15.663 -1.477 -13.832 1.00 50.13 C ATOM 850 CD2 TRP A 61 15.339 -2.046 -11.710 1.00 54.14 C ATOM 851 NE1 TRP A 61 14.427 -2.054 -13.749 1.00 0.20 N ATOM 852 CE2 TRP A 61 14.205 -2.418 -12.446 1.00 21.44 C ATOM 853 CE3 TRP A 61 15.377 -2.301 -10.349 1.00 75.10 C ATOM 854 CZ2 TRP A 61 13.122 -3.032 -11.860 1.00 4.34 C ATOM 855 CZ3 TRP A 61 14.307 -2.909 -9.770 1.00 23.15 C ATOM 856 CH2 TRP A 61 13.195 -3.269 -10.522 1.00 12.34 C ATOM 0 H TRP A 61 19.620 0.270 -11.782 1.00 53.41 H new ATOM 0 HA TRP A 61 17.264 0.960 -13.238 1.00 51.23 H new ATOM 0 HB2 TRP A 61 18.305 -1.301 -12.980 1.00 63.40 H new ATOM 0 HB3 TRP A 61 17.867 -1.272 -11.284 1.00 63.40 H new ATOM 0 HD1 TRP A 61 16.111 -1.099 -14.739 1.00 50.13 H new ATOM 0 HE1 TRP A 61 13.779 -2.191 -14.525 1.00 0.20 H new ATOM 0 HE3 TRP A 61 16.238 -2.023 -9.760 1.00 75.10 H new ATOM 0 HZ2 TRP A 61 12.253 -3.313 -12.436 1.00 4.34 H new ATOM 0 HZ3 TRP A 61 14.322 -3.115 -8.710 1.00 23.15 H new ATOM 0 HH2 TRP A 61 12.364 -3.751 -10.030 1.00 12.34 H new ATOM 867 N PHE A 62 17.081 1.102 -9.938 1.00 11.32 N ATOM 868 CA PHE A 62 16.319 1.808 -8.886 1.00 52.53 C ATOM 869 C PHE A 62 16.624 3.277 -8.877 1.00 14.30 C ATOM 870 O PHE A 62 15.861 4.076 -8.338 1.00 73.43 O ATOM 871 CB PHE A 62 16.347 1.190 -7.477 1.00 2.34 C ATOM 872 CG PHE A 62 17.389 0.204 -7.247 1.00 53.01 C ATOM 873 CD1 PHE A 62 18.645 0.594 -6.865 1.00 53.44 C ATOM 874 CD2 PHE A 62 17.111 -1.129 -7.423 1.00 40.24 C ATOM 875 CE1 PHE A 62 19.629 -0.356 -6.674 1.00 40.14 C ATOM 876 CE2 PHE A 62 18.063 -2.072 -7.231 1.00 43.55 C ATOM 877 CZ PHE A 62 19.324 -1.697 -6.862 1.00 41.02 C ATOM 0 H PHE A 62 17.861 0.535 -9.605 1.00 11.32 H new ATOM 0 HA PHE A 62 15.280 1.667 -9.182 1.00 52.53 H new ATOM 0 HB2 PHE A 62 16.464 1.993 -6.749 1.00 2.34 H new ATOM 0 HB3 PHE A 62 15.381 0.724 -7.285 1.00 2.34 H new ATOM 0 HD1 PHE A 62 18.865 1.640 -6.714 1.00 53.44 H new ATOM 0 HD2 PHE A 62 16.117 -1.430 -7.719 1.00 40.24 H new ATOM 0 HE1 PHE A 62 20.625 -0.059 -6.381 1.00 40.14 H new ATOM 0 HE2 PHE A 62 17.827 -3.117 -7.369 1.00 43.55 H new ATOM 0 HZ PHE A 62 20.087 -2.447 -6.716 1.00 41.02 H new ATOM 887 N ARG A 63 17.780 3.640 -9.430 1.00 13.43 N ATOM 888 CA ARG A 63 18.186 5.039 -9.549 1.00 42.01 C ATOM 889 C ARG A 63 17.107 5.847 -10.303 1.00 45.14 C ATOM 890 O ARG A 63 17.003 7.050 -10.113 1.00 44.34 O ATOM 891 CB ARG A 63 19.518 5.168 -10.277 1.00 52.22 C ATOM 892 CG ARG A 63 20.267 6.461 -10.016 1.00 21.01 C ATOM 893 CD ARG A 63 20.633 6.559 -8.545 1.00 1.34 C ATOM 894 NE ARG A 63 21.588 7.637 -8.258 1.00 4.24 N ATOM 895 CZ ARG A 63 22.567 7.537 -7.340 1.00 60.12 C ATOM 896 NH1 ARG A 63 22.659 6.440 -6.591 1.00 3.12 N ATOM 897 NH2 ARG A 63 23.434 8.539 -7.159 1.00 53.11 N ATOM 0 H ARG A 63 18.458 2.977 -9.806 1.00 13.43 H new ATOM 0 HA ARG A 63 18.302 5.437 -8.541 1.00 42.01 H new ATOM 0 HB2 ARG A 63 20.155 4.332 -9.989 1.00 52.22 H new ATOM 0 HB3 ARG A 63 19.340 5.079 -11.349 1.00 52.22 H new ATOM 0 HG2 ARG A 63 21.169 6.499 -10.627 1.00 21.01 H new ATOM 0 HG3 ARG A 63 19.651 7.313 -10.304 1.00 21.01 H new ATOM 0 HD2 ARG A 63 19.727 6.720 -7.961 1.00 1.34 H new ATOM 0 HD3 ARG A 63 21.058 5.610 -8.219 1.00 1.34 H new ATOM 0 HE ARG A 63 21.505 8.508 -8.782 1.00 4.24 H new ATOM 0 HH11 ARG A 63 21.989 5.681 -6.714 1.00 3.12 H new ATOM 0 HH12 ARG A 63 23.399 6.359 -5.894 1.00 3.12 H new ATOM 0 HH21 ARG A 63 23.356 9.388 -7.719 1.00 53.11 H new ATOM 0 HH22 ARG A 63 24.173 8.454 -6.461 1.00 53.11 H new ATOM 911 N LYS A 64 16.302 5.143 -11.151 1.00 73.21 N ATOM 912 CA LYS A 64 15.115 5.715 -11.828 1.00 43.34 C ATOM 913 C LYS A 64 14.239 6.459 -10.860 1.00 43.05 C ATOM 914 O LYS A 64 13.695 7.505 -11.152 1.00 24.43 O ATOM 915 CB LYS A 64 14.216 4.610 -12.329 1.00 43.41 C ATOM 916 CG LYS A 64 14.716 3.807 -13.485 1.00 21.22 C ATOM 917 CD LYS A 64 13.571 2.982 -14.033 1.00 23.02 C ATOM 918 CE LYS A 64 13.213 1.666 -13.231 1.00 32.22 C ATOM 919 NZ LYS A 64 12.904 1.843 -11.769 1.00 11.21 N ATOM 0 H LYS A 64 16.464 4.162 -11.380 1.00 73.21 H new ATOM 0 HA LYS A 64 15.503 6.356 -12.620 1.00 43.34 H new ATOM 0 HB2 LYS A 64 14.021 3.929 -11.501 1.00 43.41 H new ATOM 0 HB3 LYS A 64 13.260 5.051 -12.610 1.00 43.41 H new ATOM 0 HG2 LYS A 64 15.112 4.464 -14.259 1.00 21.22 H new ATOM 0 HG3 LYS A 64 15.533 3.158 -13.169 1.00 21.22 H new ATOM 0 HD2 LYS A 64 12.682 3.612 -14.072 1.00 23.02 H new ATOM 0 HD3 LYS A 64 13.810 2.704 -15.059 1.00 23.02 H new ATOM 0 HE2 LYS A 64 12.353 1.197 -13.709 1.00 32.22 H new ATOM 0 HE3 LYS A 64 14.047 0.971 -13.323 1.00 32.22 H new ATOM 0 HZ1 LYS A 64 12.244 1.101 -11.461 1.00 11.21 H new ATOM 0 HZ2 LYS A 64 13.783 1.774 -11.218 1.00 11.21 H new ATOM 0 HZ3 LYS A 64 12.471 2.776 -11.616 1.00 11.21 H new ATOM 933 N ASN A 65 14.143 5.886 -9.690 1.00 21.41 N ATOM 934 CA ASN A 65 13.208 6.291 -8.676 1.00 73.24 C ATOM 935 C ASN A 65 13.871 7.290 -7.736 1.00 23.35 C ATOM 936 O ASN A 65 13.303 7.662 -6.712 1.00 44.22 O ATOM 937 CB ASN A 65 12.801 5.052 -7.869 1.00 3.13 C ATOM 938 CG ASN A 65 12.551 3.784 -8.711 1.00 43.11 C ATOM 939 OD1 ASN A 65 12.100 3.828 -9.864 1.00 23.44 O ATOM 940 ND2 ASN A 65 12.903 2.655 -8.153 1.00 61.52 N ATOM 0 H ASN A 65 14.731 5.101 -9.408 1.00 21.41 H new ATOM 0 HA ASN A 65 12.337 6.752 -9.141 1.00 73.24 H new ATOM 0 HB2 ASN A 65 13.582 4.838 -7.140 1.00 3.13 H new ATOM 0 HB3 ASN A 65 11.895 5.283 -7.308 1.00 3.13 H new ATOM 0 HD21 ASN A 65 12.809 1.780 -8.669 1.00 61.52 H new ATOM 0 HD22 ASN A 65 13.271 2.649 -7.202 1.00 61.52 H new ATOM 947 N GLY A 66 15.086 7.695 -8.088 1.00 50.50 N ATOM 948 CA GLY A 66 15.836 8.635 -7.294 1.00 23.10 C ATOM 949 C GLY A 66 16.383 8.026 -6.019 1.00 53.44 C ATOM 950 O GLY A 66 16.457 8.694 -4.986 1.00 24.52 O ATOM 0 H GLY A 66 15.568 7.378 -8.929 1.00 50.50 H new ATOM 0 HA2 GLY A 66 16.662 9.026 -7.887 1.00 23.10 H new ATOM 0 HA3 GLY A 66 15.197 9.481 -7.041 1.00 23.10 H new ATOM 954 N TYR A 67 16.784 6.762 -6.066 1.00 11.43 N ATOM 955 CA TYR A 67 17.284 6.145 -4.873 1.00 52.15 C ATOM 956 C TYR A 67 18.717 6.502 -4.525 1.00 11.24 C ATOM 957 O TYR A 67 19.662 6.293 -5.305 1.00 51.31 O ATOM 958 CB TYR A 67 16.978 4.656 -4.773 1.00 2.04 C ATOM 959 CG TYR A 67 15.518 4.399 -4.463 1.00 61.00 C ATOM 960 CD1 TYR A 67 14.918 4.997 -3.361 1.00 43.32 C ATOM 961 CD2 TYR A 67 14.737 3.569 -5.252 1.00 51.34 C ATOM 962 CE1 TYR A 67 13.594 4.769 -3.062 1.00 63.44 C ATOM 963 CE2 TYR A 67 13.409 3.341 -4.945 1.00 1.43 C ATOM 964 CZ TYR A 67 12.851 3.944 -3.850 1.00 33.51 C ATOM 965 OH TYR A 67 11.548 3.703 -3.532 1.00 73.12 O ATOM 0 H TYR A 67 16.770 6.170 -6.896 1.00 11.43 H new ATOM 0 HA TYR A 67 16.699 6.606 -4.077 1.00 52.15 H new ATOM 0 HB2 TYR A 67 17.241 4.167 -5.711 1.00 2.04 H new ATOM 0 HB3 TYR A 67 17.598 4.209 -3.996 1.00 2.04 H new ATOM 0 HD1 TYR A 67 15.500 5.651 -2.729 1.00 43.32 H new ATOM 0 HD2 TYR A 67 15.172 3.094 -6.119 1.00 51.34 H new ATOM 0 HE1 TYR A 67 13.145 5.244 -2.203 1.00 63.44 H new ATOM 0 HE2 TYR A 67 12.813 2.689 -5.567 1.00 1.43 H new ATOM 0 HH TYR A 67 11.157 3.095 -4.194 1.00 73.12 H new ATOM 975 N ARG A 68 18.820 7.090 -3.353 1.00 13.22 N ATOM 976 CA ARG A 68 20.047 7.542 -2.709 1.00 44.45 C ATOM 977 C ARG A 68 20.947 6.346 -2.385 1.00 1.11 C ATOM 978 O ARG A 68 20.816 5.753 -1.327 1.00 32.00 O ATOM 979 CB ARG A 68 19.646 8.220 -1.392 1.00 64.43 C ATOM 980 CG ARG A 68 18.697 9.406 -1.550 1.00 22.23 C ATOM 981 CD ARG A 68 17.863 9.628 -0.283 1.00 14.24 C ATOM 982 NE ARG A 68 16.885 8.524 -0.072 1.00 54.02 N ATOM 983 CZ ARG A 68 16.054 8.387 0.986 1.00 32.43 C ATOM 984 NH1 ARG A 68 16.112 9.227 2.014 1.00 2.55 N ATOM 985 NH2 ARG A 68 15.187 7.375 1.019 1.00 54.40 N ATOM 0 H ARG A 68 17.997 7.280 -2.782 1.00 13.22 H new ATOM 0 HA ARG A 68 20.587 8.222 -3.367 1.00 44.45 H new ATOM 0 HB2 ARG A 68 19.176 7.479 -0.746 1.00 64.43 H new ATOM 0 HB3 ARG A 68 20.549 8.559 -0.884 1.00 64.43 H new ATOM 0 HG2 ARG A 68 19.271 10.306 -1.772 1.00 22.23 H new ATOM 0 HG3 ARG A 68 18.034 9.233 -2.398 1.00 22.23 H new ATOM 0 HD2 ARG A 68 18.524 9.700 0.581 1.00 14.24 H new ATOM 0 HD3 ARG A 68 17.332 10.577 -0.358 1.00 14.24 H new ATOM 0 HE ARG A 68 16.838 7.804 -0.793 1.00 54.02 H new ATOM 0 HH11 ARG A 68 16.790 9.989 2.013 1.00 2.55 H new ATOM 0 HH12 ARG A 68 15.478 9.110 2.805 1.00 2.55 H new ATOM 0 HH21 ARG A 68 15.152 6.708 0.248 1.00 54.40 H new ATOM 0 HH22 ARG A 68 14.558 7.268 1.815 1.00 54.40 H new ATOM 999 N LEU A 69 21.816 5.971 -3.296 1.00 1.43 N ATOM 1000 CA LEU A 69 22.659 4.801 -3.090 1.00 31.10 C ATOM 1001 C LEU A 69 24.053 4.987 -3.588 1.00 50.02 C ATOM 1002 O LEU A 69 24.295 5.638 -4.618 1.00 51.43 O ATOM 1003 CB LEU A 69 22.051 3.557 -3.748 1.00 1.32 C ATOM 1004 CG LEU A 69 20.704 3.076 -3.194 1.00 34.03 C ATOM 1005 CD1 LEU A 69 20.153 1.968 -4.044 1.00 21.14 C ATOM 1006 CD2 LEU A 69 20.851 2.598 -1.761 1.00 72.24 C ATOM 0 H LEU A 69 21.962 6.452 -4.184 1.00 1.43 H new ATOM 0 HA LEU A 69 22.708 4.662 -2.010 1.00 31.10 H new ATOM 0 HB2 LEU A 69 21.929 3.760 -4.812 1.00 1.32 H new ATOM 0 HB3 LEU A 69 22.767 2.740 -3.659 1.00 1.32 H new ATOM 0 HG LEU A 69 20.012 3.918 -3.213 1.00 34.03 H new ATOM 0 HD11 LEU A 69 19.197 1.638 -3.637 1.00 21.14 H new ATOM 0 HD12 LEU A 69 20.009 2.328 -5.063 1.00 21.14 H new ATOM 0 HD13 LEU A 69 20.852 1.132 -4.050 1.00 21.14 H new ATOM 0 HD21 LEU A 69 19.883 2.262 -1.389 1.00 72.24 H new ATOM 0 HD22 LEU A 69 21.561 1.772 -1.724 1.00 72.24 H new ATOM 0 HD23 LEU A 69 21.214 3.417 -1.140 1.00 72.24 H new ATOM 1018 N THR A 70 24.946 4.435 -2.843 1.00 65.12 N ATOM 1019 CA THR A 70 26.308 4.328 -3.188 1.00 61.43 C ATOM 1020 C THR A 70 26.522 2.834 -3.368 1.00 20.40 C ATOM 1021 O THR A 70 25.841 2.049 -2.727 1.00 50.05 O ATOM 1022 CB THR A 70 27.200 4.874 -2.053 1.00 1.32 C ATOM 1023 OG1 THR A 70 26.705 6.159 -1.653 1.00 22.14 O ATOM 1024 CG2 THR A 70 28.641 5.031 -2.521 1.00 73.54 C ATOM 0 H THR A 70 24.729 4.028 -1.933 1.00 65.12 H new ATOM 0 HA THR A 70 26.564 4.900 -4.080 1.00 61.43 H new ATOM 0 HB THR A 70 27.175 4.171 -1.221 1.00 1.32 H new ATOM 0 HG1 THR A 70 27.264 6.514 -0.931 1.00 22.14 H new ATOM 0 HG21 THR A 70 29.249 5.417 -1.703 1.00 73.54 H new ATOM 0 HG22 THR A 70 29.029 4.062 -2.836 1.00 73.54 H new ATOM 0 HG23 THR A 70 28.677 5.726 -3.360 1.00 73.54 H new ATOM 1032 N LEU A 71 27.448 2.455 -4.197 1.00 53.43 N ATOM 1033 CA LEU A 71 27.613 1.058 -4.624 1.00 50.32 C ATOM 1034 C LEU A 71 27.871 0.120 -3.457 1.00 41.11 C ATOM 1035 O LEU A 71 27.296 -0.960 -3.369 1.00 31.23 O ATOM 1036 CB LEU A 71 28.749 0.905 -5.643 1.00 35.14 C ATOM 1037 CG LEU A 71 28.669 1.718 -6.959 1.00 41.32 C ATOM 1038 CD1 LEU A 71 27.344 1.504 -7.617 1.00 4.04 C ATOM 1039 CD2 LEU A 71 28.908 3.202 -6.741 1.00 3.54 C ATOM 0 H LEU A 71 28.126 3.095 -4.611 1.00 53.43 H new ATOM 0 HA LEU A 71 26.668 0.782 -5.091 1.00 50.32 H new ATOM 0 HB2 LEU A 71 29.681 1.171 -5.144 1.00 35.14 H new ATOM 0 HB3 LEU A 71 28.818 -0.150 -5.908 1.00 35.14 H new ATOM 0 HG LEU A 71 29.465 1.355 -7.609 1.00 41.32 H new ATOM 0 HD11 LEU A 71 27.299 2.080 -8.541 1.00 4.04 H new ATOM 0 HD12 LEU A 71 27.217 0.445 -7.843 1.00 4.04 H new ATOM 0 HD13 LEU A 71 26.548 1.830 -6.947 1.00 4.04 H new ATOM 0 HD21 LEU A 71 28.841 3.725 -7.695 1.00 3.54 H new ATOM 0 HD22 LEU A 71 28.155 3.595 -6.058 1.00 3.54 H new ATOM 0 HD23 LEU A 71 29.900 3.352 -6.314 1.00 3.54 H new ATOM 1051 N ARG A 72 28.681 0.594 -2.547 1.00 44.13 N ATOM 1052 CA ARG A 72 29.140 -0.152 -1.374 1.00 15.03 C ATOM 1053 C ARG A 72 27.946 -0.573 -0.515 1.00 73.42 C ATOM 1054 O ARG A 72 27.976 -1.619 0.100 1.00 24.21 O ATOM 1055 CB ARG A 72 30.105 0.775 -0.572 1.00 75.11 C ATOM 1056 CG ARG A 72 30.996 0.139 0.530 1.00 22.05 C ATOM 1057 CD ARG A 72 30.234 -0.421 1.740 1.00 54.32 C ATOM 1058 NE ARG A 72 29.352 0.571 2.387 1.00 31.11 N ATOM 1059 CZ ARG A 72 29.025 0.604 3.683 1.00 71.23 C ATOM 1060 NH1 ARG A 72 29.610 -0.232 4.555 1.00 21.00 N ATOM 1061 NH2 ARG A 72 28.110 1.475 4.105 1.00 63.33 N ATOM 0 H ARG A 72 29.060 1.540 -2.591 1.00 44.13 H new ATOM 0 HA ARG A 72 29.661 -1.061 -1.675 1.00 15.03 H new ATOM 0 HB2 ARG A 72 30.763 1.267 -1.288 1.00 75.11 H new ATOM 0 HB3 ARG A 72 29.504 1.554 -0.104 1.00 75.11 H new ATOM 0 HG2 ARG A 72 31.580 -0.666 0.084 1.00 22.05 H new ATOM 0 HG3 ARG A 72 31.704 0.890 0.881 1.00 22.05 H new ATOM 0 HD2 ARG A 72 29.636 -1.274 1.420 1.00 54.32 H new ATOM 0 HD3 ARG A 72 30.951 -0.791 2.472 1.00 54.32 H new ATOM 0 HE ARG A 72 28.956 1.298 1.791 1.00 31.11 H new ATOM 0 HH11 ARG A 72 30.310 -0.899 4.231 1.00 21.00 H new ATOM 0 HH12 ARG A 72 29.355 -0.200 5.542 1.00 21.00 H new ATOM 0 HH21 ARG A 72 27.665 2.109 3.441 1.00 63.33 H new ATOM 0 HH22 ARG A 72 27.854 1.508 5.092 1.00 63.33 H new ATOM 1075 N GLU A 73 26.880 0.208 -0.544 1.00 0.32 N ATOM 1076 CA GLU A 73 25.754 -0.018 0.342 1.00 54.35 C ATOM 1077 C GLU A 73 25.008 -1.286 -0.056 1.00 20.03 C ATOM 1078 O GLU A 73 24.499 -2.019 0.786 1.00 73.44 O ATOM 1079 CB GLU A 73 24.821 1.186 0.332 1.00 70.30 C ATOM 1080 CG GLU A 73 25.562 2.515 0.418 1.00 3.03 C ATOM 1081 CD GLU A 73 26.560 2.603 1.552 1.00 23.40 C ATOM 1082 OE1 GLU A 73 26.171 2.894 2.698 1.00 35.01 O ATOM 1083 OE2 GLU A 73 27.753 2.373 1.308 1.00 14.12 O ATOM 0 H GLU A 73 26.772 1.004 -1.172 1.00 0.32 H new ATOM 0 HA GLU A 73 26.130 -0.150 1.357 1.00 54.35 H new ATOM 0 HB2 GLU A 73 24.223 1.168 -0.579 1.00 70.30 H new ATOM 0 HB3 GLU A 73 24.128 1.108 1.169 1.00 70.30 H new ATOM 0 HG2 GLU A 73 26.084 2.687 -0.523 1.00 3.03 H new ATOM 0 HG3 GLU A 73 24.832 3.317 0.529 1.00 3.03 H new ATOM 1090 N LEU A 74 25.019 -1.561 -1.350 1.00 72.24 N ATOM 1091 CA LEU A 74 24.360 -2.730 -1.914 1.00 11.35 C ATOM 1092 C LEU A 74 25.177 -3.959 -1.616 1.00 31.24 C ATOM 1093 O LEU A 74 24.647 -5.037 -1.437 1.00 35.24 O ATOM 1094 CB LEU A 74 24.204 -2.607 -3.444 1.00 14.02 C ATOM 1095 CG LEU A 74 23.308 -1.488 -4.001 1.00 74.54 C ATOM 1096 CD1 LEU A 74 21.911 -1.556 -3.425 1.00 33.11 C ATOM 1097 CD2 LEU A 74 23.927 -0.109 -3.817 1.00 2.22 C ATOM 0 H LEU A 74 25.487 -0.977 -2.043 1.00 72.24 H new ATOM 0 HA LEU A 74 23.370 -2.804 -1.464 1.00 11.35 H new ATOM 0 HB2 LEU A 74 25.199 -2.478 -3.870 1.00 14.02 H new ATOM 0 HB3 LEU A 74 23.819 -3.557 -3.816 1.00 14.02 H new ATOM 0 HG LEU A 74 23.226 -1.653 -5.075 1.00 74.54 H new ATOM 0 HD11 LEU A 74 21.306 -0.750 -3.841 1.00 33.11 H new ATOM 0 HD12 LEU A 74 21.460 -2.516 -3.677 1.00 33.11 H new ATOM 0 HD13 LEU A 74 21.959 -1.451 -2.341 1.00 33.11 H new ATOM 0 HD21 LEU A 74 23.258 0.648 -4.226 1.00 2.22 H new ATOM 0 HD22 LEU A 74 24.084 0.081 -2.755 1.00 2.22 H new ATOM 0 HD23 LEU A 74 24.883 -0.067 -4.338 1.00 2.22 H new ATOM 1109 N TYR A 75 26.471 -3.762 -1.555 1.00 60.20 N ATOM 1110 CA TYR A 75 27.431 -4.819 -1.315 1.00 51.21 C ATOM 1111 C TYR A 75 27.582 -5.124 0.147 1.00 5.24 C ATOM 1112 O TYR A 75 27.981 -6.223 0.514 1.00 10.52 O ATOM 1113 CB TYR A 75 28.777 -4.413 -1.881 1.00 44.45 C ATOM 1114 CG TYR A 75 28.846 -4.493 -3.360 1.00 30.43 C ATOM 1115 CD1 TYR A 75 28.692 -5.703 -3.992 1.00 32.24 C ATOM 1116 CD2 TYR A 75 29.061 -3.368 -4.124 1.00 72.41 C ATOM 1117 CE1 TYR A 75 28.755 -5.797 -5.353 1.00 20.23 C ATOM 1118 CE2 TYR A 75 29.128 -3.444 -5.500 1.00 4.13 C ATOM 1119 CZ TYR A 75 28.975 -4.666 -6.110 1.00 55.50 C ATOM 1120 OH TYR A 75 29.041 -4.770 -7.475 1.00 34.44 O ATOM 0 H TYR A 75 26.899 -2.843 -1.673 1.00 60.20 H new ATOM 0 HA TYR A 75 27.062 -5.719 -1.807 1.00 51.21 H new ATOM 0 HB2 TYR A 75 29.000 -3.393 -1.570 1.00 44.45 H new ATOM 0 HB3 TYR A 75 29.549 -5.053 -1.454 1.00 44.45 H new ATOM 0 HD1 TYR A 75 28.519 -6.592 -3.404 1.00 32.24 H new ATOM 0 HD2 TYR A 75 29.179 -2.411 -3.638 1.00 72.41 H new ATOM 0 HE1 TYR A 75 28.633 -6.756 -5.835 1.00 20.23 H new ATOM 0 HE2 TYR A 75 29.298 -2.555 -6.090 1.00 4.13 H new ATOM 0 HH TYR A 75 28.683 -5.638 -7.755 1.00 34.44 H new ATOM 1130 N ALA A 76 27.288 -4.153 0.977 1.00 23.30 N ATOM 1131 CA ALA A 76 27.434 -4.330 2.394 1.00 35.32 C ATOM 1132 C ALA A 76 26.350 -5.245 2.935 1.00 62.24 C ATOM 1133 O ALA A 76 26.602 -6.090 3.789 1.00 75.10 O ATOM 1134 CB ALA A 76 27.440 -2.995 3.122 1.00 13.25 C ATOM 0 H ALA A 76 26.947 -3.235 0.693 1.00 23.30 H new ATOM 0 HA ALA A 76 28.399 -4.804 2.575 1.00 35.32 H new ATOM 0 HB1 ALA A 76 27.552 -3.165 4.193 1.00 13.25 H new ATOM 0 HB2 ALA A 76 28.271 -2.388 2.762 1.00 13.25 H new ATOM 0 HB3 ALA A 76 26.501 -2.474 2.934 1.00 13.25 H new ATOM 1140 N ALA A 77 25.155 -5.069 2.433 1.00 62.11 N ATOM 1141 CA ALA A 77 24.053 -5.912 2.803 1.00 54.21 C ATOM 1142 C ALA A 77 23.249 -6.262 1.562 1.00 42.10 C ATOM 1143 O ALA A 77 22.219 -5.643 1.280 1.00 74.24 O ATOM 1144 CB ALA A 77 23.176 -5.253 3.865 1.00 20.43 C ATOM 0 H ALA A 77 24.921 -4.340 1.759 1.00 62.11 H new ATOM 0 HA ALA A 77 24.444 -6.829 3.244 1.00 54.21 H new ATOM 0 HB1 ALA A 77 22.352 -5.919 4.121 1.00 20.43 H new ATOM 0 HB2 ALA A 77 23.771 -5.053 4.756 1.00 20.43 H new ATOM 0 HB3 ALA A 77 22.778 -4.315 3.477 1.00 20.43 H new ATOM 1150 N PRO A 78 23.733 -7.215 0.755 1.00 13.13 N ATOM 1151 CA PRO A 78 23.070 -7.591 -0.468 1.00 20.30 C ATOM 1152 C PRO A 78 21.928 -8.533 -0.196 1.00 42.24 C ATOM 1153 O PRO A 78 22.079 -9.759 -0.203 1.00 54.22 O ATOM 1154 CB PRO A 78 24.165 -8.280 -1.292 1.00 64.13 C ATOM 1155 CG PRO A 78 25.407 -8.215 -0.444 1.00 2.42 C ATOM 1156 CD PRO A 78 24.948 -7.992 0.959 1.00 11.15 C ATOM 0 HA PRO A 78 22.634 -6.736 -0.985 1.00 20.30 H new ATOM 0 HB2 PRO A 78 23.896 -9.312 -1.516 1.00 64.13 H new ATOM 0 HB3 PRO A 78 24.314 -7.775 -2.246 1.00 64.13 H new ATOM 0 HG2 PRO A 78 25.980 -9.139 -0.523 1.00 2.42 H new ATOM 0 HG3 PRO A 78 26.060 -7.406 -0.772 1.00 2.42 H new ATOM 0 HD2 PRO A 78 24.751 -8.930 1.479 1.00 11.15 H new ATOM 0 HD3 PRO A 78 25.686 -7.449 1.549 1.00 11.15 H new ATOM 1164 N THR A 79 20.806 -7.942 0.071 1.00 0.45 N ATOM 1165 CA THR A 79 19.589 -8.612 0.404 1.00 10.22 C ATOM 1166 C THR A 79 18.479 -7.691 -0.068 1.00 0.51 C ATOM 1167 O THR A 79 18.615 -6.476 0.075 1.00 42.22 O ATOM 1168 CB THR A 79 19.477 -8.789 1.959 1.00 30.01 C ATOM 1169 OG1 THR A 79 19.683 -7.534 2.597 1.00 64.44 O ATOM 1170 CG2 THR A 79 20.482 -9.786 2.517 1.00 41.10 C ATOM 0 H THR A 79 20.710 -6.927 0.062 1.00 0.45 H new ATOM 0 HA THR A 79 19.539 -9.600 -0.054 1.00 10.22 H new ATOM 0 HB THR A 79 18.478 -9.176 2.160 1.00 30.01 H new ATOM 0 HG1 THR A 79 19.611 -7.645 3.568 1.00 64.44 H new ATOM 0 HG21 THR A 79 20.355 -9.865 3.597 1.00 41.10 H new ATOM 0 HG22 THR A 79 20.318 -10.762 2.060 1.00 41.10 H new ATOM 0 HG23 THR A 79 21.494 -9.446 2.295 1.00 41.10 H new ATOM 1178 N LEU A 80 17.403 -8.214 -0.631 1.00 62.33 N ATOM 1179 CA LEU A 80 16.337 -7.327 -1.103 1.00 52.33 C ATOM 1180 C LEU A 80 15.676 -6.658 0.053 1.00 42.21 C ATOM 1181 O LEU A 80 15.216 -5.536 -0.062 1.00 24.13 O ATOM 1182 CB LEU A 80 15.291 -8.041 -1.907 1.00 5.41 C ATOM 1183 CG LEU A 80 15.771 -8.783 -3.108 1.00 33.23 C ATOM 1184 CD1 LEU A 80 14.602 -9.441 -3.768 1.00 14.25 C ATOM 1185 CD2 LEU A 80 16.437 -7.852 -4.087 1.00 70.14 C ATOM 0 H LEU A 80 17.240 -9.211 -0.772 1.00 62.33 H new ATOM 0 HA LEU A 80 16.815 -6.595 -1.754 1.00 52.33 H new ATOM 0 HB2 LEU A 80 14.778 -8.746 -1.252 1.00 5.41 H new ATOM 0 HB3 LEU A 80 14.550 -7.310 -2.230 1.00 5.41 H new ATOM 0 HG LEU A 80 16.501 -9.528 -2.792 1.00 33.23 H new ATOM 0 HD11 LEU A 80 14.941 -9.987 -4.648 1.00 14.25 H new ATOM 0 HD12 LEU A 80 14.132 -10.134 -3.070 1.00 14.25 H new ATOM 0 HD13 LEU A 80 13.879 -8.682 -4.068 1.00 14.25 H new ATOM 0 HD21 LEU A 80 16.778 -8.418 -4.954 1.00 70.14 H new ATOM 0 HD22 LEU A 80 15.725 -7.091 -4.408 1.00 70.14 H new ATOM 0 HD23 LEU A 80 17.291 -7.371 -3.609 1.00 70.14 H new ATOM 1197 N ALA A 81 15.663 -7.357 1.170 1.00 42.32 N ATOM 1198 CA ALA A 81 15.102 -6.841 2.412 1.00 64.41 C ATOM 1199 C ALA A 81 15.793 -5.534 2.807 1.00 63.05 C ATOM 1200 O ALA A 81 15.135 -4.515 3.046 1.00 63.25 O ATOM 1201 CB ALA A 81 15.238 -7.870 3.527 1.00 73.34 C ATOM 0 H ALA A 81 16.041 -8.301 1.247 1.00 42.32 H new ATOM 0 HA ALA A 81 14.042 -6.640 2.254 1.00 64.41 H new ATOM 0 HB1 ALA A 81 14.814 -7.468 4.447 1.00 73.34 H new ATOM 0 HB2 ALA A 81 14.706 -8.780 3.249 1.00 73.34 H new ATOM 0 HB3 ALA A 81 16.292 -8.100 3.683 1.00 73.34 H new ATOM 1207 N ALA A 82 17.125 -5.549 2.824 1.00 34.30 N ATOM 1208 CA ALA A 82 17.870 -4.358 3.171 1.00 13.23 C ATOM 1209 C ALA A 82 17.811 -3.341 2.057 1.00 40.45 C ATOM 1210 O ALA A 82 17.792 -2.165 2.321 1.00 53.43 O ATOM 1211 CB ALA A 82 19.309 -4.666 3.537 1.00 73.33 C ATOM 0 H ALA A 82 17.697 -6.365 2.604 1.00 34.30 H new ATOM 0 HA ALA A 82 17.395 -3.934 4.056 1.00 13.23 H new ATOM 0 HB1 ALA A 82 19.826 -3.740 3.789 1.00 73.33 H new ATOM 0 HB2 ALA A 82 19.330 -5.339 4.394 1.00 73.33 H new ATOM 0 HB3 ALA A 82 19.806 -5.140 2.691 1.00 73.33 H new ATOM 1217 N TRP A 83 17.763 -3.796 0.812 1.00 24.03 N ATOM 1218 CA TRP A 83 17.670 -2.877 -0.326 1.00 54.14 C ATOM 1219 C TRP A 83 16.348 -2.114 -0.308 1.00 51.51 C ATOM 1220 O TRP A 83 16.317 -0.917 -0.581 1.00 54.32 O ATOM 1221 CB TRP A 83 17.885 -3.586 -1.676 1.00 0.13 C ATOM 1222 CG TRP A 83 19.280 -4.140 -1.888 1.00 34.53 C ATOM 1223 CD1 TRP A 83 20.336 -4.107 -1.012 1.00 13.54 C ATOM 1224 CD2 TRP A 83 19.765 -4.805 -3.062 1.00 12.43 C ATOM 1225 NE1 TRP A 83 21.430 -4.722 -1.566 1.00 64.51 N ATOM 1226 CE2 TRP A 83 21.109 -5.154 -2.824 1.00 72.04 C ATOM 1227 CE3 TRP A 83 19.189 -5.140 -4.289 1.00 43.01 C ATOM 1228 CZ2 TRP A 83 21.883 -5.822 -3.770 1.00 64.12 C ATOM 1229 CZ3 TRP A 83 19.958 -5.801 -5.227 1.00 43.40 C ATOM 1230 CH2 TRP A 83 21.291 -6.135 -4.963 1.00 22.23 C ATOM 0 H TRP A 83 17.786 -4.784 0.561 1.00 24.03 H new ATOM 0 HA TRP A 83 18.482 -2.158 -0.218 1.00 54.14 H new ATOM 0 HB2 TRP A 83 17.168 -4.403 -1.760 1.00 0.13 H new ATOM 0 HB3 TRP A 83 17.662 -2.883 -2.479 1.00 0.13 H new ATOM 0 HD1 TRP A 83 20.310 -3.661 -0.029 1.00 13.54 H new ATOM 0 HE1 TRP A 83 22.337 -4.838 -1.113 1.00 64.51 H new ATOM 0 HE3 TRP A 83 18.161 -4.887 -4.501 1.00 43.01 H new ATOM 0 HZ2 TRP A 83 22.912 -6.083 -3.569 1.00 64.12 H new ATOM 0 HZ3 TRP A 83 19.523 -6.064 -6.180 1.00 43.40 H new ATOM 0 HH2 TRP A 83 21.865 -6.651 -5.718 1.00 22.23 H new ATOM 1241 N ASN A 84 15.272 -2.810 0.031 1.00 42.21 N ATOM 1242 CA ASN A 84 13.944 -2.202 0.190 1.00 62.24 C ATOM 1243 C ASN A 84 13.984 -1.159 1.319 1.00 74.32 C ATOM 1244 O ASN A 84 13.441 -0.063 1.195 1.00 31.10 O ATOM 1245 CB ASN A 84 12.916 -3.305 0.507 1.00 72.40 C ATOM 1246 CG ASN A 84 11.489 -2.805 0.682 1.00 72.11 C ATOM 1247 OD1 ASN A 84 11.070 -1.824 0.084 1.00 14.23 O ATOM 1248 ND2 ASN A 84 10.729 -3.497 1.498 1.00 72.44 N ATOM 0 H ASN A 84 15.288 -3.815 0.206 1.00 42.21 H new ATOM 0 HA ASN A 84 13.652 -1.701 -0.733 1.00 62.24 H new ATOM 0 HB2 ASN A 84 12.934 -4.042 -0.296 1.00 72.40 H new ATOM 0 HB3 ASN A 84 13.222 -3.819 1.418 1.00 72.40 H new ATOM 0 HD21 ASN A 84 9.759 -3.221 1.648 1.00 72.44 H new ATOM 0 HD22 ASN A 84 11.109 -4.311 1.982 1.00 72.44 H new ATOM 1255 N GLN A 85 14.680 -1.502 2.396 1.00 32.44 N ATOM 1256 CA GLN A 85 14.854 -0.613 3.532 1.00 74.30 C ATOM 1257 C GLN A 85 15.695 0.607 3.100 1.00 2.24 C ATOM 1258 O GLN A 85 15.336 1.759 3.376 1.00 52.04 O ATOM 1259 CB GLN A 85 15.541 -1.392 4.660 1.00 64.23 C ATOM 1260 CG GLN A 85 15.605 -0.684 6.000 1.00 54.23 C ATOM 1261 CD GLN A 85 14.228 -0.332 6.550 1.00 2.43 C ATOM 1262 OE1 GLN A 85 13.232 -1.005 6.257 1.00 5.14 O ATOM 1263 NE2 GLN A 85 14.172 0.649 7.395 1.00 2.21 N ATOM 0 H GLN A 85 15.139 -2.406 2.504 1.00 32.44 H new ATOM 0 HA GLN A 85 13.891 -0.250 3.892 1.00 74.30 H new ATOM 0 HB2 GLN A 85 15.018 -2.339 4.794 1.00 64.23 H new ATOM 0 HB3 GLN A 85 16.557 -1.630 4.346 1.00 64.23 H new ATOM 0 HG2 GLN A 85 16.126 -1.319 6.717 1.00 54.23 H new ATOM 0 HG3 GLN A 85 16.193 0.228 5.896 1.00 54.23 H new ATOM 0 HE21 GLN A 85 15.013 1.183 7.613 1.00 2.21 H new ATOM 0 HE22 GLN A 85 13.287 0.887 7.842 1.00 2.21 H new ATOM 1272 N LEU A 86 16.799 0.330 2.376 1.00 42.43 N ATOM 1273 CA LEU A 86 17.670 1.362 1.819 1.00 31.31 C ATOM 1274 C LEU A 86 16.864 2.349 1.010 1.00 1.20 C ATOM 1275 O LEU A 86 16.982 3.553 1.209 1.00 5.10 O ATOM 1276 CB LEU A 86 18.760 0.762 0.916 1.00 54.23 C ATOM 1277 CG LEU A 86 19.870 -0.043 1.597 1.00 23.44 C ATOM 1278 CD1 LEU A 86 20.760 -0.665 0.552 1.00 51.01 C ATOM 1279 CD2 LEU A 86 20.717 0.848 2.477 1.00 65.10 C ATOM 0 H LEU A 86 17.104 -0.620 2.166 1.00 42.43 H new ATOM 0 HA LEU A 86 18.148 1.864 2.660 1.00 31.31 H new ATOM 0 HB2 LEU A 86 18.274 0.116 0.185 1.00 54.23 H new ATOM 0 HB3 LEU A 86 19.226 1.577 0.362 1.00 54.23 H new ATOM 0 HG LEU A 86 19.402 -0.815 2.208 1.00 23.44 H new ATOM 0 HD11 LEU A 86 21.549 -1.237 1.040 1.00 51.01 H new ATOM 0 HD12 LEU A 86 20.170 -1.327 -0.081 1.00 51.01 H new ATOM 0 HD13 LEU A 86 21.206 0.119 -0.060 1.00 51.01 H new ATOM 0 HD21 LEU A 86 21.499 0.254 2.950 1.00 65.10 H new ATOM 0 HD22 LEU A 86 21.173 1.631 1.871 1.00 65.10 H new ATOM 0 HD23 LEU A 86 20.091 1.302 3.245 1.00 65.10 H new ATOM 1291 N MET A 87 16.012 1.813 0.126 1.00 11.44 N ATOM 1292 CA MET A 87 15.152 2.604 -0.751 1.00 45.12 C ATOM 1293 C MET A 87 14.502 3.760 -0.026 1.00 42.24 C ATOM 1294 O MET A 87 14.788 4.946 -0.283 1.00 4.23 O ATOM 1295 CB MET A 87 14.005 1.763 -1.300 1.00 43.14 C ATOM 1296 CG MET A 87 14.361 0.783 -2.361 1.00 4.34 C ATOM 1297 SD MET A 87 12.895 -0.013 -3.000 1.00 33.14 S ATOM 1298 CE MET A 87 13.612 -0.933 -4.316 1.00 52.22 C ATOM 0 H MET A 87 15.903 0.807 0.002 1.00 11.44 H new ATOM 0 HA MET A 87 15.806 2.966 -1.544 1.00 45.12 H new ATOM 0 HB2 MET A 87 13.550 1.221 -0.471 1.00 43.14 H new ATOM 0 HB3 MET A 87 13.245 2.436 -1.696 1.00 43.14 H new ATOM 0 HG2 MET A 87 14.888 1.290 -3.170 1.00 4.34 H new ATOM 0 HG3 MET A 87 15.042 0.033 -1.958 1.00 4.34 H new ATOM 0 HE1 MET A 87 12.823 -1.398 -4.907 1.00 52.22 H new ATOM 0 HE2 MET A 87 14.196 -0.266 -4.950 1.00 52.22 H new ATOM 0 HE3 MET A 87 14.262 -1.706 -3.907 1.00 52.22 H new ATOM 1308 N LEU A 88 13.690 3.416 0.909 1.00 10.22 N ATOM 1309 CA LEU A 88 12.873 4.362 1.560 1.00 63.40 C ATOM 1310 C LEU A 88 13.536 5.170 2.651 1.00 13.21 C ATOM 1311 O LEU A 88 13.259 6.366 2.779 1.00 13.15 O ATOM 1312 CB LEU A 88 11.535 3.766 1.923 1.00 2.51 C ATOM 1313 CG LEU A 88 11.546 2.359 2.438 1.00 71.14 C ATOM 1314 CD1 LEU A 88 11.780 2.324 3.920 1.00 15.20 C ATOM 1315 CD2 LEU A 88 10.288 1.664 1.999 1.00 44.03 C ATOM 0 H LEU A 88 13.577 2.459 1.243 1.00 10.22 H new ATOM 0 HA LEU A 88 12.679 5.143 0.824 1.00 63.40 H new ATOM 0 HB2 LEU A 88 11.072 4.402 2.678 1.00 2.51 H new ATOM 0 HB3 LEU A 88 10.896 3.801 1.041 1.00 2.51 H new ATOM 0 HG LEU A 88 12.383 1.808 2.010 1.00 71.14 H new ATOM 0 HD11 LEU A 88 11.782 1.290 4.264 1.00 15.20 H new ATOM 0 HD12 LEU A 88 12.742 2.784 4.148 1.00 15.20 H new ATOM 0 HD13 LEU A 88 10.986 2.873 4.427 1.00 15.20 H new ATOM 0 HD21 LEU A 88 10.290 0.639 2.371 1.00 44.03 H new ATOM 0 HD22 LEU A 88 9.422 2.193 2.397 1.00 44.03 H new ATOM 0 HD23 LEU A 88 10.238 1.655 0.910 1.00 44.03 H new