USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=16 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= -0.133 K(o=0.55,f=-0.6) USER MOD Set 1.2: A 65 ASN : amide:sc= -0.653! C(o=0.55!,f=-4.8!) USER MOD Set 1.3: A 70 THR OG1 : rot 88:sc= 1.33 USER MOD Single : A 7 THR OG1 : rot 30:sc= 0.0403 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.381 K(o=-0.38,f=-1.3) 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 22 GLN : amide:sc= -0.747 K(o=-0.75,f=-1.4) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN :FLIP amide:sc= -1.92 F(o=-3.5!,f=-1.9) USER MOD Single : A 34 GLN : amide:sc= -0.0303 X(o=-0.03,f=-0.35) USER MOD Single : A 37 GLN : amide:sc= -0.622 K(o=-0.62,f=-5.1!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0029 USER MOD Single : A 46 SER OG : rot 180:sc= -0.071 USER MOD Single : A 57 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.063) 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 68 ASN : amide:sc= -0.605 K(o=-0.6,f=-3.4!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.736 USER MOD Single : A 73 ASN : amide:sc= 2.12 K(o=2.1,f=-8.1!) USER MOD Single : A 74 ASN : amide:sc= -0.0601 X(o=-0.06,f=-0.06) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -169:sc= 0 (180deg=-0.19) USER MOD Single : A 100 HIS : no HD1:sc= -0.034 X(o=-0.034,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 7 -3.281 -8.662 2.362 1.00 31.24 N ATOM 63 CA THR A 7 -3.502 -7.435 3.053 1.00 14.21 C ATOM 64 C THR A 7 -3.909 -6.342 2.078 1.00 4.30 C ATOM 65 O THR A 7 -3.184 -6.038 1.146 1.00 12.23 O ATOM 66 CB THR A 7 -2.224 -7.017 3.825 1.00 12.10 C ATOM 67 OG1 THR A 7 -1.905 -8.013 4.818 1.00 42.03 O ATOM 68 CG2 THR A 7 -2.400 -5.672 4.500 1.00 50.34 C ATOM 0 HA THR A 7 -4.312 -7.580 3.768 1.00 14.21 H new ATOM 0 HB THR A 7 -1.410 -6.935 3.105 1.00 12.10 H new ATOM 0 HG1 THR A 7 -2.211 -8.892 4.510 1.00 42.03 H new ATOM 0 HG21 THR A 7 -1.486 -5.409 5.032 1.00 50.34 H new ATOM 0 HG22 THR A 7 -2.613 -4.912 3.748 1.00 50.34 H new ATOM 0 HG23 THR A 7 -3.228 -5.725 5.207 1.00 50.34 H new ATOM 76 N SER A 8 -5.082 -5.798 2.264 1.00 15.01 N ATOM 77 CA SER A 8 -5.507 -4.687 1.473 1.00 11.34 C ATOM 78 C SER A 8 -5.129 -3.428 2.237 1.00 72.24 C ATOM 79 O SER A 8 -5.617 -3.200 3.340 1.00 41.15 O ATOM 80 CB SER A 8 -7.016 -4.749 1.263 1.00 33.33 C ATOM 81 OG SER A 8 -7.410 -6.020 0.752 1.00 70.03 O ATOM 0 H SER A 8 -5.758 -6.111 2.960 1.00 15.01 H new ATOM 0 HA SER A 8 -5.033 -4.697 0.491 1.00 11.34 H new ATOM 0 HB2 SER A 8 -7.526 -4.559 2.207 1.00 33.33 H new ATOM 0 HB3 SER A 8 -7.323 -3.964 0.572 1.00 33.33 H new ATOM 0 HG SER A 8 -8.382 -6.036 0.627 1.00 70.03 H new ATOM 87 N VAL A 9 -4.251 -2.648 1.702 1.00 0.21 N ATOM 88 CA VAL A 9 -3.805 -1.469 2.386 1.00 4.32 C ATOM 89 C VAL A 9 -4.413 -0.227 1.755 1.00 54.34 C ATOM 90 O VAL A 9 -4.266 0.034 0.564 1.00 72.41 O ATOM 91 CB VAL A 9 -2.250 -1.406 2.533 1.00 24.24 C ATOM 92 CG1 VAL A 9 -1.554 -1.601 1.215 1.00 4.12 C ATOM 93 CG2 VAL A 9 -1.806 -0.112 3.191 1.00 21.40 C ATOM 0 H VAL A 9 -3.823 -2.802 0.789 1.00 0.21 H new ATOM 0 HA VAL A 9 -4.170 -1.514 3.412 1.00 4.32 H new ATOM 0 HB VAL A 9 -1.961 -2.232 3.183 1.00 24.24 H new ATOM 0 HG11 VAL A 9 -0.475 -1.550 1.362 1.00 4.12 H new ATOM 0 HG12 VAL A 9 -1.819 -2.575 0.805 1.00 4.12 H new ATOM 0 HG13 VAL A 9 -1.863 -0.819 0.521 1.00 4.12 H new ATOM 0 HG21 VAL A 9 -0.719 -0.102 3.277 1.00 21.40 H new ATOM 0 HG22 VAL A 9 -2.130 0.734 2.585 1.00 21.40 H new ATOM 0 HG23 VAL A 9 -2.250 -0.038 4.184 1.00 21.40 H new ATOM 103 N THR A 10 -5.127 0.494 2.554 1.00 61.44 N ATOM 104 CA THR A 10 -5.895 1.609 2.128 1.00 14.42 C ATOM 105 C THR A 10 -5.410 2.866 2.839 1.00 20.15 C ATOM 106 O THR A 10 -5.087 2.832 4.033 1.00 53.15 O ATOM 107 CB THR A 10 -7.368 1.327 2.469 1.00 3.53 C ATOM 108 OG1 THR A 10 -7.671 -0.007 2.023 1.00 55.42 O ATOM 109 CG2 THR A 10 -8.302 2.305 1.773 1.00 41.41 C ATOM 0 H THR A 10 -5.192 0.314 3.556 1.00 61.44 H new ATOM 0 HA THR A 10 -5.788 1.765 1.055 1.00 14.42 H new ATOM 0 HB THR A 10 -7.513 1.436 3.544 1.00 3.53 H new ATOM 0 HG1 THR A 10 -8.606 -0.216 2.229 1.00 55.42 H new ATOM 0 HG21 THR A 10 -9.334 2.074 2.038 1.00 41.41 H new ATOM 0 HG22 THR A 10 -8.065 3.321 2.088 1.00 41.41 H new ATOM 0 HG23 THR A 10 -8.177 2.221 0.693 1.00 41.41 H new ATOM 117 N LEU A 11 -5.309 3.935 2.107 1.00 31.23 N ATOM 118 CA LEU A 11 -4.892 5.186 2.658 1.00 2.12 C ATOM 119 C LEU A 11 -6.121 6.035 2.971 1.00 61.31 C ATOM 120 O LEU A 11 -7.079 6.041 2.196 1.00 71.50 O ATOM 121 CB LEU A 11 -3.867 5.886 1.708 1.00 2.22 C ATOM 122 CG LEU A 11 -4.301 6.228 0.252 1.00 61.10 C ATOM 123 CD1 LEU A 11 -5.161 7.490 0.166 1.00 44.35 C ATOM 124 CD2 LEU A 11 -3.091 6.350 -0.655 1.00 35.33 C ATOM 0 H LEU A 11 -5.514 3.962 1.108 1.00 31.23 H new ATOM 0 HA LEU A 11 -4.365 5.032 3.600 1.00 2.12 H new ATOM 0 HB2 LEU A 11 -3.556 6.815 2.186 1.00 2.22 H new ATOM 0 HB3 LEU A 11 -2.985 5.248 1.648 1.00 2.22 H new ATOM 0 HG LEU A 11 -4.922 5.399 -0.087 1.00 61.10 H new ATOM 0 HD11 LEU A 11 -5.432 7.676 -0.873 1.00 44.35 H new ATOM 0 HD12 LEU A 11 -6.066 7.354 0.758 1.00 44.35 H new ATOM 0 HD13 LEU A 11 -4.599 8.340 0.552 1.00 44.35 H new ATOM 0 HD21 LEU A 11 -3.418 6.589 -1.667 1.00 35.33 H new ATOM 0 HD22 LEU A 11 -2.439 7.142 -0.287 1.00 35.33 H new ATOM 0 HD23 LEU A 11 -2.546 5.406 -0.663 1.00 35.33 H new ATOM 136 N GLN A 12 -6.116 6.667 4.114 1.00 22.41 N ATOM 137 CA GLN A 12 -7.203 7.522 4.551 1.00 53.11 C ATOM 138 C GLN A 12 -6.652 8.938 4.591 1.00 22.33 C ATOM 139 O GLN A 12 -5.722 9.233 5.357 1.00 41.30 O ATOM 140 CB GLN A 12 -7.680 7.077 5.953 1.00 42.43 C ATOM 141 CG GLN A 12 -9.085 7.550 6.387 1.00 63.33 C ATOM 142 CD GLN A 12 -9.248 9.057 6.483 1.00 14.31 C ATOM 143 OE1 GLN A 12 -9.634 9.709 5.533 1.00 71.32 O ATOM 144 NE2 GLN A 12 -8.942 9.608 7.623 1.00 32.25 N ATOM 0 H GLN A 12 -5.348 6.606 4.783 1.00 22.41 H new ATOM 0 HA GLN A 12 -8.059 7.464 3.878 1.00 53.11 H new ATOM 0 HB2 GLN A 12 -7.661 5.988 5.990 1.00 42.43 H new ATOM 0 HB3 GLN A 12 -6.958 7.434 6.688 1.00 42.43 H new ATOM 0 HG2 GLN A 12 -9.818 7.164 5.679 1.00 63.33 H new ATOM 0 HG3 GLN A 12 -9.317 7.111 7.357 1.00 63.33 H new ATOM 0 HE21 GLN A 12 -8.621 9.029 8.399 1.00 32.25 H new ATOM 0 HE22 GLN A 12 -9.023 10.618 7.739 1.00 32.25 H new ATOM 153 N LEU A 13 -7.190 9.782 3.762 1.00 62.31 N ATOM 154 CA LEU A 13 -6.719 11.130 3.603 1.00 14.44 C ATOM 155 C LEU A 13 -7.659 12.127 4.221 1.00 62.21 C ATOM 156 O LEU A 13 -8.885 12.068 3.994 1.00 44.54 O ATOM 157 CB LEU A 13 -6.595 11.451 2.111 1.00 21.52 C ATOM 158 CG LEU A 13 -6.284 12.906 1.770 1.00 23.41 C ATOM 159 CD1 LEU A 13 -4.890 13.310 2.218 1.00 73.50 C ATOM 160 CD2 LEU A 13 -6.508 13.186 0.303 1.00 53.52 C ATOM 0 H LEU A 13 -7.984 9.551 3.165 1.00 62.31 H new ATOM 0 HA LEU A 13 -5.754 11.202 4.104 1.00 14.44 H new ATOM 0 HB2 LEU A 13 -5.812 10.822 1.687 1.00 21.52 H new ATOM 0 HB3 LEU A 13 -7.528 11.173 1.620 1.00 21.52 H new ATOM 0 HG LEU A 13 -6.983 13.526 2.330 1.00 23.41 H new ATOM 0 HD11 LEU A 13 -4.711 14.353 1.955 1.00 73.50 H new ATOM 0 HD12 LEU A 13 -4.805 13.188 3.298 1.00 73.50 H new ATOM 0 HD13 LEU A 13 -4.152 12.679 1.723 1.00 73.50 H new ATOM 0 HD21 LEU A 13 -6.278 14.230 0.093 1.00 53.52 H new ATOM 0 HD22 LEU A 13 -5.859 12.544 -0.293 1.00 53.52 H new ATOM 0 HD23 LEU A 13 -7.549 12.986 0.049 1.00 53.52 H new ATOM 172 N ASP A 14 -7.101 13.084 4.960 1.00 34.05 N ATOM 173 CA ASP A 14 -7.898 14.172 5.442 1.00 4.12 C ATOM 174 C ASP A 14 -8.109 15.075 4.279 1.00 34.04 C ATOM 175 O ASP A 14 -7.209 15.811 3.854 1.00 3.32 O ATOM 176 CB ASP A 14 -7.246 14.950 6.582 1.00 41.43 C ATOM 177 CG ASP A 14 -8.080 16.164 6.955 1.00 11.22 C ATOM 178 OD1 ASP A 14 -9.202 15.991 7.463 1.00 44.42 O ATOM 179 OD2 ASP A 14 -7.642 17.311 6.691 1.00 22.04 O ATOM 0 H ASP A 14 -6.117 13.115 5.226 1.00 34.05 H new ATOM 0 HA ASP A 14 -8.828 13.778 5.852 1.00 4.12 H new ATOM 0 HB2 ASP A 14 -7.131 14.302 7.451 1.00 41.43 H new ATOM 0 HB3 ASP A 14 -6.246 15.267 6.286 1.00 41.43 H new ATOM 184 N ASP A 15 -9.242 14.934 3.718 1.00 61.12 N ATOM 185 CA ASP A 15 -9.624 15.647 2.545 1.00 43.33 C ATOM 186 C ASP A 15 -10.789 16.595 2.857 1.00 31.43 C ATOM 187 O ASP A 15 -11.368 17.243 1.981 1.00 24.42 O ATOM 188 CB ASP A 15 -9.995 14.598 1.494 1.00 50.21 C ATOM 189 CG ASP A 15 -10.544 15.144 0.219 1.00 64.22 C ATOM 190 OD1 ASP A 15 -9.769 15.635 -0.613 1.00 63.45 O ATOM 191 OD2 ASP A 15 -11.766 15.025 -0.007 1.00 11.55 O ATOM 0 H ASP A 15 -9.962 14.300 4.065 1.00 61.12 H new ATOM 0 HA ASP A 15 -8.815 16.273 2.170 1.00 43.33 H new ATOM 0 HB2 ASP A 15 -9.109 14.006 1.266 1.00 50.21 H new ATOM 0 HB3 ASP A 15 -10.729 13.918 1.926 1.00 50.21 H new ATOM 196 N GLY A 16 -11.088 16.697 4.120 1.00 53.12 N ATOM 197 CA GLY A 16 -12.197 17.493 4.565 1.00 11.23 C ATOM 198 C GLY A 16 -13.046 16.686 5.487 1.00 70.11 C ATOM 199 O GLY A 16 -13.409 17.130 6.568 1.00 12.25 O ATOM 0 H GLY A 16 -10.573 16.233 4.868 1.00 53.12 H new ATOM 0 HA2 GLY A 16 -11.836 18.387 5.074 1.00 11.23 H new ATOM 0 HA3 GLY A 16 -12.785 17.828 3.710 1.00 11.23 H new ATOM 203 N SER A 17 -13.352 15.487 5.062 1.00 12.02 N ATOM 204 CA SER A 17 -14.083 14.555 5.881 1.00 52.44 C ATOM 205 C SER A 17 -13.315 13.243 5.943 1.00 14.33 C ATOM 206 O SER A 17 -13.230 12.608 6.991 1.00 35.31 O ATOM 207 CB SER A 17 -15.486 14.340 5.324 1.00 0.25 C ATOM 208 OG SER A 17 -16.128 15.589 5.133 1.00 2.53 O ATOM 0 H SER A 17 -13.102 15.130 4.140 1.00 12.02 H new ATOM 0 HA SER A 17 -14.187 14.957 6.889 1.00 52.44 H new ATOM 0 HB2 SER A 17 -15.432 13.801 4.378 1.00 0.25 H new ATOM 0 HB3 SER A 17 -16.068 13.724 6.009 1.00 0.25 H new ATOM 0 HG SER A 17 -17.028 15.443 4.773 1.00 2.53 H new ATOM 214 N GLY A 18 -12.742 12.849 4.819 1.00 70.13 N ATOM 215 CA GLY A 18 -11.954 11.665 4.789 1.00 53.15 C ATOM 216 C GLY A 18 -12.254 10.824 3.582 1.00 23.51 C ATOM 217 O GLY A 18 -13.387 10.388 3.389 1.00 62.21 O ATOM 0 H GLY A 18 -12.817 13.340 3.928 1.00 70.13 H new ATOM 0 HA2 GLY A 18 -10.897 11.932 4.792 1.00 53.15 H new ATOM 0 HA3 GLY A 18 -12.138 11.083 5.692 1.00 53.15 H new ATOM 221 N ARG A 19 -11.272 10.656 2.746 1.00 72.41 N ATOM 222 CA ARG A 19 -11.388 9.783 1.591 1.00 72.24 C ATOM 223 C ARG A 19 -10.388 8.676 1.676 1.00 22.11 C ATOM 224 O ARG A 19 -9.358 8.816 2.326 1.00 44.31 O ATOM 225 CB ARG A 19 -11.215 10.497 0.259 1.00 1.52 C ATOM 226 CG ARG A 19 -12.425 11.277 -0.225 1.00 55.15 C ATOM 227 CD ARG A 19 -12.196 11.801 -1.644 1.00 43.14 C ATOM 228 NE ARG A 19 -11.148 12.816 -1.695 1.00 74.13 N ATOM 229 CZ ARG A 19 -9.993 12.736 -2.393 1.00 60.43 C ATOM 230 NH1 ARG A 19 -9.659 11.632 -3.050 1.00 62.32 N ATOM 231 NH2 ARG A 19 -9.159 13.755 -2.378 1.00 42.33 N ATOM 0 H ARG A 19 -10.365 11.115 2.836 1.00 72.41 H new ATOM 0 HA ARG A 19 -12.406 9.394 1.619 1.00 72.24 H new ATOM 0 HB2 ARG A 19 -10.371 11.182 0.340 1.00 1.52 H new ATOM 0 HB3 ARG A 19 -10.954 9.758 -0.499 1.00 1.52 H new ATOM 0 HG2 ARG A 19 -13.308 10.638 -0.206 1.00 55.15 H new ATOM 0 HG3 ARG A 19 -12.620 12.111 0.449 1.00 55.15 H new ATOM 0 HD2 ARG A 19 -11.927 10.971 -2.297 1.00 43.14 H new ATOM 0 HD3 ARG A 19 -13.125 12.221 -2.029 1.00 43.14 H new ATOM 0 HE ARG A 19 -11.302 13.666 -1.153 1.00 74.13 H new ATOM 0 HH11 ARG A 19 -10.279 10.822 -3.035 1.00 62.32 H new ATOM 0 HH12 ARG A 19 -8.783 11.594 -3.570 1.00 62.32 H new ATOM 0 HH21 ARG A 19 -9.387 14.593 -1.844 1.00 42.33 H new ATOM 0 HH22 ARG A 19 -8.285 13.706 -2.901 1.00 42.33 H new ATOM 245 N THR A 20 -10.669 7.599 1.003 1.00 2.44 N ATOM 246 CA THR A 20 -9.815 6.458 1.031 1.00 21.11 C ATOM 247 C THR A 20 -9.440 6.036 -0.381 1.00 2.04 C ATOM 248 O THR A 20 -10.163 6.342 -1.347 1.00 10.13 O ATOM 249 CB THR A 20 -10.484 5.286 1.792 1.00 64.35 C ATOM 250 OG1 THR A 20 -11.796 5.044 1.262 1.00 33.12 O ATOM 251 CG2 THR A 20 -10.593 5.595 3.277 1.00 74.43 C ATOM 0 H THR A 20 -11.499 7.491 0.420 1.00 2.44 H new ATOM 0 HA THR A 20 -8.903 6.730 1.562 1.00 21.11 H new ATOM 0 HB THR A 20 -9.863 4.399 1.662 1.00 64.35 H new ATOM 0 HG1 THR A 20 -12.213 4.301 1.746 1.00 33.12 H new ATOM 0 HG21 THR A 20 -11.066 4.757 3.789 1.00 74.43 H new ATOM 0 HG22 THR A 20 -9.597 5.757 3.689 1.00 74.43 H new ATOM 0 HG23 THR A 20 -11.194 6.493 3.419 1.00 74.43 H new ATOM 259 N TYR A 21 -8.304 5.416 -0.509 1.00 44.11 N ATOM 260 CA TYR A 21 -7.830 4.881 -1.766 1.00 63.34 C ATOM 261 C TYR A 21 -7.015 3.651 -1.435 1.00 24.44 C ATOM 262 O TYR A 21 -6.181 3.695 -0.525 1.00 44.22 O ATOM 263 CB TYR A 21 -6.958 5.925 -2.490 1.00 55.30 C ATOM 264 CG TYR A 21 -6.514 5.545 -3.888 1.00 72.43 C ATOM 265 CD1 TYR A 21 -7.287 5.877 -4.986 1.00 53.25 C ATOM 266 CD2 TYR A 21 -5.316 4.870 -4.109 1.00 45.22 C ATOM 267 CE1 TYR A 21 -6.888 5.552 -6.262 1.00 72.44 C ATOM 268 CE2 TYR A 21 -4.913 4.537 -5.386 1.00 74.31 C ATOM 269 CZ TYR A 21 -5.702 4.883 -6.460 1.00 45.32 C ATOM 270 OH TYR A 21 -5.310 4.552 -7.738 1.00 14.32 O ATOM 0 H TYR A 21 -7.663 5.261 0.269 1.00 44.11 H new ATOM 0 HA TYR A 21 -8.660 4.631 -2.427 1.00 63.34 H new ATOM 0 HB2 TYR A 21 -7.513 6.861 -2.546 1.00 55.30 H new ATOM 0 HB3 TYR A 21 -6.072 6.115 -1.885 1.00 55.30 H new ATOM 0 HD1 TYR A 21 -8.220 6.401 -4.839 1.00 53.25 H new ATOM 0 HD2 TYR A 21 -4.693 4.603 -3.268 1.00 45.22 H new ATOM 0 HE1 TYR A 21 -7.505 5.822 -7.107 1.00 72.44 H new ATOM 0 HE2 TYR A 21 -3.984 4.008 -5.542 1.00 74.31 H new ATOM 0 HH TYR A 21 -4.450 4.084 -7.705 1.00 14.32 H new ATOM 280 N GLN A 22 -7.261 2.565 -2.108 1.00 4.51 N ATOM 281 CA GLN A 22 -6.540 1.360 -1.811 1.00 22.21 C ATOM 282 C GLN A 22 -5.307 1.269 -2.691 1.00 34.44 C ATOM 283 O GLN A 22 -5.384 1.475 -3.906 1.00 74.12 O ATOM 284 CB GLN A 22 -7.427 0.129 -1.985 1.00 11.42 C ATOM 285 CG GLN A 22 -6.859 -1.126 -1.339 1.00 0.14 C ATOM 286 CD GLN A 22 -7.750 -2.327 -1.522 1.00 4.42 C ATOM 287 OE1 GLN A 22 -8.656 -2.574 -0.720 1.00 71.45 O ATOM 288 NE2 GLN A 22 -7.474 -3.109 -2.525 1.00 23.33 N ATOM 0 H GLN A 22 -7.947 2.487 -2.858 1.00 4.51 H new ATOM 0 HA GLN A 22 -6.226 1.391 -0.768 1.00 22.21 H new ATOM 0 HB2 GLN A 22 -8.408 0.335 -1.558 1.00 11.42 H new ATOM 0 HB3 GLN A 22 -7.575 -0.055 -3.049 1.00 11.42 H new ATOM 0 HG2 GLN A 22 -5.878 -1.338 -1.766 1.00 0.14 H new ATOM 0 HG3 GLN A 22 -6.711 -0.947 -0.274 1.00 0.14 H new ATOM 0 HE21 GLN A 22 -6.717 -2.869 -3.165 1.00 23.33 H new ATOM 0 HE22 GLN A 22 -8.015 -3.962 -2.671 1.00 23.33 H new ATOM 297 N LEU A 23 -4.179 0.987 -2.073 1.00 4.12 N ATOM 298 CA LEU A 23 -2.926 0.857 -2.775 1.00 62.13 C ATOM 299 C LEU A 23 -2.972 -0.380 -3.636 1.00 0.23 C ATOM 300 O LEU A 23 -3.626 -1.367 -3.283 1.00 55.34 O ATOM 301 CB LEU A 23 -1.770 0.747 -1.785 1.00 51.30 C ATOM 302 CG LEU A 23 -1.538 1.950 -0.855 1.00 12.35 C ATOM 303 CD1 LEU A 23 -0.426 1.648 0.125 1.00 3.12 C ATOM 304 CD2 LEU A 23 -1.195 3.197 -1.649 1.00 25.10 C ATOM 0 H LEU A 23 -4.109 0.842 -1.066 1.00 4.12 H new ATOM 0 HA LEU A 23 -2.770 1.739 -3.396 1.00 62.13 H new ATOM 0 HB2 LEU A 23 -1.936 -0.135 -1.166 1.00 51.30 H new ATOM 0 HB3 LEU A 23 -0.854 0.572 -2.350 1.00 51.30 H new ATOM 0 HG LEU A 23 -2.463 2.133 -0.307 1.00 12.35 H new ATOM 0 HD11 LEU A 23 -0.272 2.508 0.777 1.00 3.12 H new ATOM 0 HD12 LEU A 23 -0.697 0.780 0.726 1.00 3.12 H new ATOM 0 HD13 LEU A 23 0.493 1.438 -0.421 1.00 3.12 H new ATOM 0 HD21 LEU A 23 -1.036 4.031 -0.966 1.00 25.10 H new ATOM 0 HD22 LEU A 23 -0.287 3.023 -2.226 1.00 25.10 H new ATOM 0 HD23 LEU A 23 -2.015 3.434 -2.327 1.00 25.10 H new ATOM 316 N ARG A 24 -2.319 -0.337 -4.750 1.00 13.31 N ATOM 317 CA ARG A 24 -2.336 -1.444 -5.660 1.00 20.33 C ATOM 318 C ARG A 24 -0.946 -1.959 -5.816 1.00 44.44 C ATOM 319 O ARG A 24 0.014 -1.192 -5.648 1.00 14.34 O ATOM 320 CB ARG A 24 -2.927 -1.030 -7.014 1.00 3.51 C ATOM 321 CG ARG A 24 -4.321 -0.424 -6.907 1.00 14.00 C ATOM 322 CD ARG A 24 -5.295 -1.387 -6.243 1.00 61.43 C ATOM 323 NE ARG A 24 -6.595 -0.775 -6.014 1.00 34.42 N ATOM 324 CZ ARG A 24 -7.736 -1.436 -5.836 1.00 21.33 C ATOM 325 NH1 ARG A 24 -7.765 -2.766 -5.922 1.00 74.44 N ATOM 326 NH2 ARG A 24 -8.846 -0.761 -5.583 1.00 10.02 N ATOM 0 H ARG A 24 -1.761 0.459 -5.058 1.00 13.31 H new ATOM 0 HA ARG A 24 -2.971 -2.235 -5.260 1.00 20.33 H new ATOM 0 HB2 ARG A 24 -2.261 -0.309 -7.487 1.00 3.51 H new ATOM 0 HB3 ARG A 24 -2.967 -1.902 -7.666 1.00 3.51 H new ATOM 0 HG2 ARG A 24 -4.274 0.502 -6.333 1.00 14.00 H new ATOM 0 HG3 ARG A 24 -4.684 -0.165 -7.901 1.00 14.00 H new ATOM 0 HD2 ARG A 24 -5.416 -2.271 -6.870 1.00 61.43 H new ATOM 0 HD3 ARG A 24 -4.881 -1.724 -5.293 1.00 61.43 H new ATOM 0 HE ARG A 24 -6.635 0.244 -5.988 1.00 34.42 H new ATOM 0 HH11 ARG A 24 -6.909 -3.283 -6.125 1.00 74.44 H new ATOM 0 HH12 ARG A 24 -8.643 -3.267 -5.785 1.00 74.44 H new ATOM 0 HH21 ARG A 24 -8.822 0.257 -5.526 1.00 10.02 H new ATOM 0 HH22 ARG A 24 -9.725 -1.259 -5.445 1.00 10.02 H new ATOM 340 N GLU A 25 -0.847 -3.245 -6.086 1.00 52.34 N ATOM 341 CA GLU A 25 0.412 -3.941 -6.257 1.00 25.51 C ATOM 342 C GLU A 25 1.318 -3.277 -7.291 1.00 73.45 C ATOM 343 O GLU A 25 0.993 -3.178 -8.478 1.00 33.22 O ATOM 344 CB GLU A 25 0.175 -5.421 -6.550 1.00 12.10 C ATOM 345 CG GLU A 25 -0.760 -5.710 -7.713 1.00 65.23 C ATOM 346 CD GLU A 25 -0.983 -7.179 -7.889 1.00 12.12 C ATOM 347 OE1 GLU A 25 -0.191 -7.833 -8.583 1.00 10.12 O ATOM 348 OE2 GLU A 25 -1.942 -7.725 -7.311 1.00 64.34 O ATOM 0 H GLU A 25 -1.661 -3.850 -6.195 1.00 52.34 H new ATOM 0 HA GLU A 25 0.953 -3.873 -5.313 1.00 25.51 H new ATOM 0 HB2 GLU A 25 1.136 -5.893 -6.752 1.00 12.10 H new ATOM 0 HB3 GLU A 25 -0.230 -5.892 -5.654 1.00 12.10 H new ATOM 0 HG2 GLU A 25 -1.716 -5.214 -7.544 1.00 65.23 H new ATOM 0 HG3 GLU A 25 -0.342 -5.293 -8.629 1.00 65.23 H new ATOM 355 N GLY A 26 2.429 -2.833 -6.813 1.00 12.10 N ATOM 356 CA GLY A 26 3.367 -2.093 -7.577 1.00 60.23 C ATOM 357 C GLY A 26 3.717 -0.865 -6.797 1.00 74.13 C ATOM 358 O GLY A 26 3.319 -0.745 -5.629 1.00 72.44 O ATOM 0 H GLY A 26 2.717 -2.982 -5.846 1.00 12.10 H new ATOM 0 HA2 GLY A 26 4.258 -2.690 -7.772 1.00 60.23 H new ATOM 0 HA3 GLY A 26 2.945 -1.824 -8.545 1.00 60.23 H new ATOM 362 N SER A 27 4.445 0.029 -7.358 1.00 63.31 N ATOM 363 CA SER A 27 4.758 1.209 -6.639 1.00 74.55 C ATOM 364 C SER A 27 3.982 2.397 -7.172 1.00 12.24 C ATOM 365 O SER A 27 3.861 2.595 -8.385 1.00 40.25 O ATOM 366 CB SER A 27 6.264 1.446 -6.599 1.00 63.42 C ATOM 367 OG SER A 27 6.824 1.417 -7.910 1.00 32.55 O ATOM 0 H SER A 27 4.831 -0.031 -8.300 1.00 63.31 H new ATOM 0 HA SER A 27 4.442 1.077 -5.604 1.00 74.55 H new ATOM 0 HB2 SER A 27 6.471 2.409 -6.133 1.00 63.42 H new ATOM 0 HB3 SER A 27 6.739 0.684 -5.981 1.00 63.42 H new ATOM 0 HG SER A 27 7.790 1.573 -7.857 1.00 32.55 H new ATOM 373 N ASN A 28 3.430 3.154 -6.284 1.00 51.41 N ATOM 374 CA ASN A 28 2.687 4.322 -6.651 1.00 74.41 C ATOM 375 C ASN A 28 3.496 5.536 -6.329 1.00 53.12 C ATOM 376 O ASN A 28 3.953 5.713 -5.205 1.00 22.51 O ATOM 377 CB ASN A 28 1.284 4.359 -6.003 1.00 14.24 C ATOM 378 CG ASN A 28 1.288 4.251 -4.490 1.00 21.54 C ATOM 379 OD1 ASN A 28 1.263 3.036 -3.990 1.00 11.40 O flip ATOM 380 ND2 ASN A 28 1.316 5.242 -3.783 1.00 72.13 N flip ATOM 0 H ASN A 28 3.479 2.983 -5.280 1.00 51.41 H new ATOM 0 HA ASN A 28 2.503 4.297 -7.725 1.00 74.41 H new ATOM 0 HB2 ASN A 28 0.791 5.288 -6.287 1.00 14.24 H new ATOM 0 HB3 ASN A 28 0.687 3.544 -6.411 1.00 14.24 H new ATOM 0 HD21 ASN A 28 1.335 6.170 -4.206 1.00 72.13 H new ATOM 0 HD22 ASN A 28 1.321 5.144 -2.768 1.00 72.13 H new ATOM 387 N ILE A 29 3.741 6.321 -7.330 1.00 1.34 N ATOM 388 CA ILE A 29 4.553 7.492 -7.190 1.00 64.44 C ATOM 389 C ILE A 29 3.670 8.661 -6.795 1.00 52.12 C ATOM 390 O ILE A 29 2.712 8.988 -7.511 1.00 33.50 O ATOM 391 CB ILE A 29 5.276 7.825 -8.524 1.00 64.24 C ATOM 392 CG1 ILE A 29 5.979 6.575 -9.113 1.00 34.33 C ATOM 393 CG2 ILE A 29 6.278 8.965 -8.336 1.00 11.11 C ATOM 394 CD1 ILE A 29 7.012 5.935 -8.208 1.00 3.03 C ATOM 0 H ILE A 29 3.383 6.169 -8.273 1.00 1.34 H new ATOM 0 HA ILE A 29 5.306 7.308 -6.423 1.00 64.44 H new ATOM 0 HB ILE A 29 4.516 8.150 -9.235 1.00 64.24 H new ATOM 0 HG12 ILE A 29 5.220 5.831 -9.356 1.00 34.33 H new ATOM 0 HG13 ILE A 29 6.462 6.856 -10.049 1.00 34.33 H new ATOM 0 HG21 ILE A 29 6.770 9.177 -9.285 1.00 11.11 H new ATOM 0 HG22 ILE A 29 5.754 9.857 -7.991 1.00 11.11 H new ATOM 0 HG23 ILE A 29 7.025 8.675 -7.597 1.00 11.11 H new ATOM 0 HD11 ILE A 29 7.447 5.070 -8.708 1.00 3.03 H new ATOM 0 HD12 ILE A 29 7.797 6.657 -7.984 1.00 3.03 H new ATOM 0 HD13 ILE A 29 6.536 5.617 -7.280 1.00 3.03 H new ATOM 406 N ILE A 30 3.971 9.250 -5.675 1.00 65.21 N ATOM 407 CA ILE A 30 3.262 10.389 -5.162 1.00 0.22 C ATOM 408 C ILE A 30 4.098 11.640 -5.413 1.00 74.13 C ATOM 409 O ILE A 30 5.300 11.695 -5.075 1.00 65.23 O ATOM 410 CB ILE A 30 2.952 10.235 -3.634 1.00 24.12 C ATOM 411 CG1 ILE A 30 2.036 9.019 -3.390 1.00 43.40 C ATOM 412 CG2 ILE A 30 2.355 11.512 -3.040 1.00 14.01 C ATOM 413 CD1 ILE A 30 1.713 8.751 -1.933 1.00 61.11 C ATOM 0 H ILE A 30 4.737 8.944 -5.075 1.00 65.21 H new ATOM 0 HA ILE A 30 2.305 10.470 -5.677 1.00 0.22 H new ATOM 0 HB ILE A 30 3.897 10.061 -3.119 1.00 24.12 H new ATOM 0 HG12 ILE A 30 1.103 9.169 -3.933 1.00 43.40 H new ATOM 0 HG13 ILE A 30 2.511 8.133 -3.812 1.00 43.40 H new ATOM 0 HG21 ILE A 30 2.155 11.361 -1.979 1.00 14.01 H new ATOM 0 HG22 ILE A 30 3.060 12.335 -3.163 1.00 14.01 H new ATOM 0 HG23 ILE A 30 1.424 11.752 -3.554 1.00 14.01 H new ATOM 0 HD11 ILE A 30 1.064 7.878 -1.859 1.00 61.11 H new ATOM 0 HD12 ILE A 30 2.636 8.565 -1.384 1.00 61.11 H new ATOM 0 HD13 ILE A 30 1.206 9.617 -1.507 1.00 61.11 H new ATOM 425 N GLY A 31 3.499 12.600 -6.043 1.00 0.15 N ATOM 426 CA GLY A 31 4.162 13.834 -6.319 1.00 4.32 C ATOM 427 C GLY A 31 3.418 14.598 -7.349 1.00 22.14 C ATOM 428 O GLY A 31 2.224 14.377 -7.526 1.00 13.21 O ATOM 0 H GLY A 31 2.538 12.551 -6.380 1.00 0.15 H new ATOM 0 HA2 GLY A 31 4.242 14.424 -5.406 1.00 4.32 H new ATOM 0 HA3 GLY A 31 5.178 13.640 -6.663 1.00 4.32 H new ATOM 432 N ARG A 32 4.068 15.516 -7.999 1.00 33.13 N ATOM 433 CA ARG A 32 3.446 16.234 -9.087 1.00 2.11 C ATOM 434 C ARG A 32 4.370 16.189 -10.285 1.00 73.54 C ATOM 435 O ARG A 32 5.392 16.880 -10.324 1.00 13.32 O ATOM 436 CB ARG A 32 3.195 17.683 -8.683 1.00 43.32 C ATOM 437 CG ARG A 32 2.368 17.838 -7.423 1.00 52.31 C ATOM 438 CD ARG A 32 2.201 19.292 -7.056 1.00 53.12 C ATOM 439 NE ARG A 32 1.527 20.070 -8.101 1.00 53.32 N ATOM 440 CZ ARG A 32 1.628 21.397 -8.237 1.00 41.43 C ATOM 441 NH1 ARG A 32 2.458 22.087 -7.462 1.00 11.22 N ATOM 442 NH2 ARG A 32 0.923 22.028 -9.164 1.00 33.30 N ATOM 0 H ARG A 32 5.030 15.791 -7.800 1.00 33.13 H new ATOM 0 HA ARG A 32 2.490 15.772 -9.334 1.00 2.11 H new ATOM 0 HB2 ARG A 32 4.154 18.180 -8.539 1.00 43.32 H new ATOM 0 HB3 ARG A 32 2.690 18.195 -9.502 1.00 43.32 H new ATOM 0 HG2 ARG A 32 1.389 17.382 -7.569 1.00 52.31 H new ATOM 0 HG3 ARG A 32 2.848 17.306 -6.602 1.00 52.31 H new ATOM 0 HD2 ARG A 32 1.630 19.365 -6.130 1.00 53.12 H new ATOM 0 HD3 ARG A 32 3.181 19.727 -6.861 1.00 53.12 H new ATOM 0 HE ARG A 32 0.943 19.566 -8.768 1.00 53.32 H new ATOM 0 HH11 ARG A 32 3.021 21.605 -6.761 1.00 11.22 H new ATOM 0 HH12 ARG A 32 2.533 23.099 -7.568 1.00 11.22 H new ATOM 0 HH21 ARG A 32 0.300 21.502 -9.777 1.00 33.30 H new ATOM 0 HH22 ARG A 32 1.003 23.040 -9.265 1.00 33.30 H new ATOM 456 N GLY A 33 4.023 15.389 -11.244 1.00 54.32 N ATOM 457 CA GLY A 33 4.825 15.252 -12.402 1.00 70.44 C ATOM 458 C GLY A 33 4.258 14.219 -13.310 1.00 75.10 C ATOM 459 O GLY A 33 3.107 13.796 -13.131 1.00 54.53 O ATOM 0 H GLY A 33 3.178 14.818 -11.239 1.00 54.32 H new ATOM 0 HA2 GLY A 33 4.888 16.207 -12.923 1.00 70.44 H new ATOM 0 HA3 GLY A 33 5.841 14.977 -12.118 1.00 70.44 H new ATOM 463 N GLN A 34 5.061 13.779 -14.248 1.00 73.11 N ATOM 464 CA GLN A 34 4.657 12.762 -15.195 1.00 63.20 C ATOM 465 C GLN A 34 4.746 11.396 -14.531 1.00 73.02 C ATOM 466 O GLN A 34 3.880 10.541 -14.724 1.00 53.34 O ATOM 467 CB GLN A 34 5.561 12.786 -16.440 1.00 11.44 C ATOM 468 CG GLN A 34 5.633 14.132 -17.160 1.00 3.44 C ATOM 469 CD GLN A 34 4.287 14.652 -17.628 1.00 71.04 C ATOM 470 OE1 GLN A 34 3.373 13.887 -17.929 1.00 52.40 O ATOM 471 NE2 GLN A 34 4.161 15.955 -17.707 1.00 33.45 N ATOM 0 H GLN A 34 6.015 14.115 -14.379 1.00 73.11 H new ATOM 0 HA GLN A 34 3.632 12.961 -15.507 1.00 63.20 H new ATOM 0 HB2 GLN A 34 6.569 12.495 -16.144 1.00 11.44 H new ATOM 0 HB3 GLN A 34 5.205 12.033 -17.143 1.00 11.44 H new ATOM 0 HG2 GLN A 34 6.083 14.867 -16.492 1.00 3.44 H new ATOM 0 HG3 GLN A 34 6.294 14.037 -18.021 1.00 3.44 H new ATOM 0 HE21 GLN A 34 4.941 16.559 -17.449 1.00 33.45 H new ATOM 0 HE22 GLN A 34 3.283 16.364 -18.027 1.00 33.45 H new ATOM 480 N ASP A 35 5.788 11.227 -13.717 1.00 44.14 N ATOM 481 CA ASP A 35 6.087 9.964 -13.002 1.00 14.41 C ATOM 482 C ASP A 35 5.012 9.694 -11.987 1.00 31.13 C ATOM 483 O ASP A 35 4.622 8.552 -11.748 1.00 74.15 O ATOM 484 CB ASP A 35 7.389 10.102 -12.189 1.00 34.33 C ATOM 485 CG ASP A 35 8.588 10.570 -12.962 1.00 74.31 C ATOM 486 OD1 ASP A 35 8.583 11.719 -13.429 1.00 24.12 O ATOM 487 OD2 ASP A 35 9.582 9.813 -13.077 1.00 62.11 O ATOM 0 H ASP A 35 6.463 11.967 -13.526 1.00 44.14 H new ATOM 0 HA ASP A 35 6.162 9.174 -13.749 1.00 14.41 H new ATOM 0 HB2 ASP A 35 7.213 10.798 -11.369 1.00 34.33 H new ATOM 0 HB3 ASP A 35 7.622 9.136 -11.742 1.00 34.33 H new ATOM 492 N ALA A 36 4.556 10.767 -11.392 1.00 51.12 N ATOM 493 CA ALA A 36 3.586 10.739 -10.342 1.00 22.34 C ATOM 494 C ALA A 36 2.264 10.170 -10.810 1.00 51.42 C ATOM 495 O ALA A 36 1.616 10.711 -11.716 1.00 0.11 O ATOM 496 CB ALA A 36 3.413 12.124 -9.773 1.00 51.10 C ATOM 0 H ALA A 36 4.862 11.709 -11.637 1.00 51.12 H new ATOM 0 HA ALA A 36 3.951 10.076 -9.557 1.00 22.34 H new ATOM 0 HB1 ALA A 36 2.673 12.099 -8.973 1.00 51.10 H new ATOM 0 HB2 ALA A 36 4.365 12.476 -9.376 1.00 51.10 H new ATOM 0 HB3 ALA A 36 3.076 12.800 -10.558 1.00 51.10 H new ATOM 502 N GLN A 37 1.883 9.080 -10.194 1.00 41.12 N ATOM 503 CA GLN A 37 0.649 8.403 -10.485 1.00 23.15 C ATOM 504 C GLN A 37 -0.413 8.985 -9.574 1.00 1.04 C ATOM 505 O GLN A 37 -1.569 9.166 -9.952 1.00 41.24 O ATOM 506 CB GLN A 37 0.804 6.911 -10.188 1.00 24.23 C ATOM 507 CG GLN A 37 2.021 6.235 -10.830 1.00 32.52 C ATOM 508 CD GLN A 37 2.041 6.250 -12.359 1.00 52.53 C ATOM 509 OE1 GLN A 37 1.529 7.161 -13.015 1.00 64.13 O ATOM 510 NE2 GLN A 37 2.640 5.246 -12.931 1.00 52.41 N ATOM 0 H GLN A 37 2.434 8.631 -9.462 1.00 41.12 H new ATOM 0 HA GLN A 37 0.377 8.530 -11.533 1.00 23.15 H new ATOM 0 HB2 GLN A 37 0.863 6.777 -9.108 1.00 24.23 H new ATOM 0 HB3 GLN A 37 -0.096 6.396 -10.524 1.00 24.23 H new ATOM 0 HG2 GLN A 37 2.924 6.726 -10.466 1.00 32.52 H new ATOM 0 HG3 GLN A 37 2.062 5.200 -10.492 1.00 32.52 H new ATOM 0 HE21 GLN A 37 3.054 4.508 -12.362 1.00 52.41 H new ATOM 0 HE22 GLN A 37 2.695 5.198 -13.948 1.00 52.41 H new ATOM 519 N PHE A 38 0.010 9.271 -8.374 1.00 11.40 N ATOM 520 CA PHE A 38 -0.795 9.890 -7.379 1.00 2.42 C ATOM 521 C PHE A 38 -0.275 11.305 -7.273 1.00 1.15 C ATOM 522 O PHE A 38 0.878 11.534 -6.894 1.00 2.23 O ATOM 523 CB PHE A 38 -0.637 9.133 -6.058 1.00 22.34 C ATOM 524 CG PHE A 38 -1.471 9.640 -4.905 1.00 73.24 C ATOM 525 CD1 PHE A 38 -1.067 10.738 -4.175 1.00 62.13 C ATOM 526 CD2 PHE A 38 -2.631 8.983 -4.525 1.00 21.15 C ATOM 527 CE1 PHE A 38 -1.786 11.181 -3.099 1.00 52.03 C ATOM 528 CE2 PHE A 38 -3.370 9.428 -3.444 1.00 53.05 C ATOM 529 CZ PHE A 38 -2.944 10.529 -2.727 1.00 42.14 C ATOM 0 H PHE A 38 0.959 9.069 -8.059 1.00 11.40 H new ATOM 0 HA PHE A 38 -1.857 9.883 -7.623 1.00 2.42 H new ATOM 0 HB2 PHE A 38 -0.887 8.086 -6.229 1.00 22.34 H new ATOM 0 HB3 PHE A 38 0.412 9.167 -5.765 1.00 22.34 H new ATOM 0 HD1 PHE A 38 -0.164 11.259 -4.459 1.00 62.13 H new ATOM 0 HD2 PHE A 38 -2.961 8.116 -5.078 1.00 21.15 H new ATOM 0 HE1 PHE A 38 -1.447 12.041 -2.540 1.00 52.03 H new ATOM 0 HE2 PHE A 38 -4.278 8.916 -3.161 1.00 53.05 H new ATOM 0 HZ PHE A 38 -3.515 10.878 -1.879 1.00 42.14 H new ATOM 539 N ARG A 39 -1.086 12.231 -7.642 1.00 52.12 N ATOM 540 CA ARG A 39 -0.663 13.591 -7.754 1.00 51.12 C ATOM 541 C ARG A 39 -1.222 14.421 -6.631 1.00 52.31 C ATOM 542 O ARG A 39 -2.406 14.334 -6.312 1.00 1.30 O ATOM 543 CB ARG A 39 -1.038 14.113 -9.144 1.00 11.11 C ATOM 544 CG ARG A 39 -0.365 13.274 -10.226 1.00 63.11 C ATOM 545 CD ARG A 39 -0.833 13.567 -11.634 1.00 54.42 C ATOM 546 NE ARG A 39 -0.186 12.630 -12.572 1.00 1.13 N ATOM 547 CZ ARG A 39 -0.622 12.285 -13.783 1.00 20.21 C ATOM 548 NH1 ARG A 39 -1.714 12.837 -14.299 1.00 44.13 N ATOM 549 NH2 ARG A 39 0.049 11.375 -14.479 1.00 4.34 N ATOM 0 H ARG A 39 -2.066 12.072 -7.877 1.00 52.12 H new ATOM 0 HA ARG A 39 0.420 13.661 -7.656 1.00 51.12 H new ATOM 0 HB2 ARG A 39 -2.120 14.082 -9.271 1.00 11.11 H new ATOM 0 HB3 ARG A 39 -0.735 15.155 -9.242 1.00 11.11 H new ATOM 0 HG2 ARG A 39 0.712 13.435 -10.175 1.00 63.11 H new ATOM 0 HG3 ARG A 39 -0.540 12.220 -10.011 1.00 63.11 H new ATOM 0 HD2 ARG A 39 -1.917 13.470 -11.696 1.00 54.42 H new ATOM 0 HD3 ARG A 39 -0.589 14.595 -11.903 1.00 54.42 H new ATOM 0 HE ARG A 39 0.686 12.202 -12.261 1.00 1.13 H new ATOM 0 HH11 ARG A 39 -2.232 13.536 -13.767 1.00 44.13 H new ATOM 0 HH12 ARG A 39 -2.035 12.562 -15.227 1.00 44.13 H new ATOM 0 HH21 ARG A 39 0.888 10.949 -14.086 1.00 4.34 H new ATOM 0 HH22 ARG A 39 -0.274 11.102 -15.407 1.00 4.34 H new ATOM 563 N LEU A 40 -0.356 15.187 -6.007 1.00 63.11 N ATOM 564 CA LEU A 40 -0.737 16.011 -4.879 1.00 53.22 C ATOM 565 C LEU A 40 -1.307 17.348 -5.332 1.00 12.33 C ATOM 566 O LEU A 40 -0.870 17.907 -6.342 1.00 71.14 O ATOM 567 CB LEU A 40 0.439 16.214 -3.909 1.00 42.52 C ATOM 568 CG LEU A 40 0.907 14.967 -3.150 1.00 70.13 C ATOM 569 CD1 LEU A 40 2.085 15.295 -2.261 1.00 3.33 C ATOM 570 CD2 LEU A 40 -0.224 14.388 -2.313 1.00 1.13 C ATOM 0 H LEU A 40 0.628 15.257 -6.264 1.00 63.11 H new ATOM 0 HA LEU A 40 -1.523 15.480 -4.342 1.00 53.22 H new ATOM 0 HB2 LEU A 40 1.284 16.611 -4.472 1.00 42.52 H new ATOM 0 HB3 LEU A 40 0.156 16.974 -3.180 1.00 42.52 H new ATOM 0 HG LEU A 40 1.215 14.224 -3.885 1.00 70.13 H new ATOM 0 HD11 LEU A 40 2.402 14.397 -1.731 1.00 3.33 H new ATOM 0 HD12 LEU A 40 2.909 15.666 -2.871 1.00 3.33 H new ATOM 0 HD13 LEU A 40 1.795 16.059 -1.539 1.00 3.33 H new ATOM 0 HD21 LEU A 40 0.131 13.504 -1.783 1.00 1.13 H new ATOM 0 HD22 LEU A 40 -0.561 15.132 -1.592 1.00 1.13 H new ATOM 0 HD23 LEU A 40 -1.054 14.112 -2.964 1.00 1.13 H new ATOM 582 N PRO A 41 -2.305 17.869 -4.602 1.00 32.43 N ATOM 583 CA PRO A 41 -2.961 19.126 -4.945 1.00 31.33 C ATOM 584 C PRO A 41 -2.301 20.378 -4.324 1.00 73.52 C ATOM 585 O PRO A 41 -2.822 21.493 -4.472 1.00 10.43 O ATOM 586 CB PRO A 41 -4.357 18.924 -4.365 1.00 31.25 C ATOM 587 CG PRO A 41 -4.137 18.101 -3.135 1.00 50.11 C ATOM 588 CD PRO A 41 -2.928 17.234 -3.410 1.00 74.41 C ATOM 0 HA PRO A 41 -2.920 19.320 -6.017 1.00 31.33 H new ATOM 0 HB2 PRO A 41 -4.829 19.877 -4.126 1.00 31.25 H new ATOM 0 HB3 PRO A 41 -5.011 18.413 -5.072 1.00 31.25 H new ATOM 0 HG2 PRO A 41 -3.968 18.738 -2.267 1.00 50.11 H new ATOM 0 HG3 PRO A 41 -5.012 17.489 -2.916 1.00 50.11 H new ATOM 0 HD2 PRO A 41 -2.245 17.218 -2.561 1.00 74.41 H new ATOM 0 HD3 PRO A 41 -3.213 16.201 -3.609 1.00 74.41 H new ATOM 596 N ASP A 42 -1.174 20.221 -3.657 1.00 33.12 N ATOM 597 CA ASP A 42 -0.533 21.377 -3.024 1.00 51.23 C ATOM 598 C ASP A 42 0.872 21.553 -3.598 1.00 24.33 C ATOM 599 O ASP A 42 1.272 20.797 -4.487 1.00 54.01 O ATOM 600 CB ASP A 42 -0.483 21.230 -1.494 1.00 14.31 C ATOM 601 CG ASP A 42 -0.508 22.583 -0.782 1.00 34.22 C ATOM 602 OD1 ASP A 42 0.523 23.286 -0.740 1.00 22.33 O ATOM 603 OD2 ASP A 42 -1.579 22.990 -0.292 1.00 64.44 O ATOM 0 H ASP A 42 -0.687 19.333 -3.536 1.00 33.12 H new ATOM 0 HA ASP A 42 -1.127 22.265 -3.240 1.00 51.23 H new ATOM 0 HB2 ASP A 42 -1.330 20.630 -1.161 1.00 14.31 H new ATOM 0 HB3 ASP A 42 0.421 20.690 -1.212 1.00 14.31 H new ATOM 608 N THR A 43 1.621 22.495 -3.089 1.00 11.53 N ATOM 609 CA THR A 43 2.914 22.809 -3.635 1.00 61.40 C ATOM 610 C THR A 43 4.042 22.291 -2.708 1.00 15.42 C ATOM 611 O THR A 43 3.773 21.748 -1.626 1.00 35.31 O ATOM 612 CB THR A 43 3.040 24.348 -3.894 1.00 5.14 C ATOM 613 OG1 THR A 43 4.254 24.660 -4.610 1.00 41.51 O ATOM 614 CG2 THR A 43 3.010 25.122 -2.583 1.00 72.41 C ATOM 0 H THR A 43 1.353 23.065 -2.287 1.00 11.53 H new ATOM 0 HA THR A 43 3.021 22.301 -4.594 1.00 61.40 H new ATOM 0 HB THR A 43 2.187 24.646 -4.504 1.00 5.14 H new ATOM 0 HG1 THR A 43 4.306 25.627 -4.760 1.00 41.51 H new ATOM 0 HG21 THR A 43 3.099 26.189 -2.788 1.00 72.41 H new ATOM 0 HG22 THR A 43 2.069 24.929 -2.068 1.00 72.41 H new ATOM 0 HG23 THR A 43 3.840 24.803 -1.953 1.00 72.41 H new ATOM 622 N GLY A 44 5.285 22.447 -3.144 1.00 51.54 N ATOM 623 CA GLY A 44 6.426 21.969 -2.389 1.00 72.32 C ATOM 624 C GLY A 44 6.711 20.529 -2.709 1.00 64.25 C ATOM 625 O GLY A 44 7.574 19.890 -2.107 1.00 43.43 O ATOM 0 H GLY A 44 5.525 22.905 -4.023 1.00 51.54 H new ATOM 0 HA2 GLY A 44 7.301 22.577 -2.619 1.00 72.32 H new ATOM 0 HA3 GLY A 44 6.233 22.078 -1.322 1.00 72.32 H new ATOM 629 N VAL A 45 5.999 20.032 -3.676 1.00 14.03 N ATOM 630 CA VAL A 45 6.069 18.658 -4.055 1.00 61.41 C ATOM 631 C VAL A 45 6.879 18.514 -5.337 1.00 44.21 C ATOM 632 O VAL A 45 6.642 19.228 -6.317 1.00 23.31 O ATOM 633 CB VAL A 45 4.656 18.089 -4.290 1.00 3.11 C ATOM 634 CG1 VAL A 45 4.702 16.609 -4.513 1.00 14.12 C ATOM 635 CG2 VAL A 45 3.723 18.428 -3.147 1.00 52.32 C ATOM 0 H VAL A 45 5.343 20.582 -4.231 1.00 14.03 H new ATOM 0 HA VAL A 45 6.550 18.105 -3.248 1.00 61.41 H new ATOM 0 HB VAL A 45 4.262 18.559 -5.191 1.00 3.11 H new ATOM 0 HG11 VAL A 45 3.692 16.234 -4.676 1.00 14.12 H new ATOM 0 HG12 VAL A 45 5.315 16.392 -5.388 1.00 14.12 H new ATOM 0 HG13 VAL A 45 5.133 16.122 -3.638 1.00 14.12 H new ATOM 0 HG21 VAL A 45 2.736 18.011 -3.347 1.00 52.32 H new ATOM 0 HG22 VAL A 45 4.114 18.007 -2.221 1.00 52.32 H new ATOM 0 HG23 VAL A 45 3.646 19.511 -3.049 1.00 52.32 H new ATOM 645 N SER A 46 7.822 17.618 -5.317 1.00 3.21 N ATOM 646 CA SER A 46 8.633 17.322 -6.465 1.00 33.04 C ATOM 647 C SER A 46 7.832 16.415 -7.428 1.00 61.14 C ATOM 648 O SER A 46 6.680 16.036 -7.135 1.00 41.24 O ATOM 649 CB SER A 46 9.935 16.631 -5.991 1.00 32.15 C ATOM 650 OG SER A 46 10.838 16.375 -7.061 1.00 3.52 O ATOM 0 H SER A 46 8.054 17.064 -4.492 1.00 3.21 H new ATOM 0 HA SER A 46 8.900 18.235 -6.998 1.00 33.04 H new ATOM 0 HB2 SER A 46 10.426 17.260 -5.248 1.00 32.15 H new ATOM 0 HB3 SER A 46 9.685 15.691 -5.498 1.00 32.15 H new ATOM 0 HG SER A 46 11.644 15.940 -6.712 1.00 3.52 H new ATOM 656 N ARG A 47 8.428 16.068 -8.561 1.00 30.50 N ATOM 657 CA ARG A 47 7.791 15.179 -9.532 1.00 42.53 C ATOM 658 C ARG A 47 7.673 13.780 -8.949 1.00 33.54 C ATOM 659 O ARG A 47 6.738 13.035 -9.240 1.00 73.43 O ATOM 660 CB ARG A 47 8.535 15.190 -10.877 1.00 31.42 C ATOM 661 CG ARG A 47 10.022 14.903 -10.777 1.00 11.41 C ATOM 662 CD ARG A 47 10.717 15.021 -12.126 1.00 30.34 C ATOM 663 NE ARG A 47 10.270 14.008 -13.095 1.00 13.51 N ATOM 664 CZ ARG A 47 10.740 13.866 -14.343 1.00 40.13 C ATOM 665 NH1 ARG A 47 11.694 14.668 -14.811 1.00 23.22 N ATOM 666 NH2 ARG A 47 10.254 12.898 -15.103 1.00 61.11 N ATOM 0 H ARG A 47 9.357 16.389 -8.834 1.00 30.50 H new ATOM 0 HA ARG A 47 6.785 15.544 -9.738 1.00 42.53 H new ATOM 0 HB2 ARG A 47 8.079 14.451 -11.536 1.00 31.42 H new ATOM 0 HB3 ARG A 47 8.397 16.164 -11.346 1.00 31.42 H new ATOM 0 HG2 ARG A 47 10.479 15.597 -10.072 1.00 11.41 H new ATOM 0 HG3 ARG A 47 10.172 13.900 -10.378 1.00 11.41 H new ATOM 0 HD2 ARG A 47 10.534 16.014 -12.537 1.00 30.34 H new ATOM 0 HD3 ARG A 47 11.794 14.928 -11.983 1.00 30.34 H new ATOM 0 HE ARG A 47 9.542 13.360 -12.793 1.00 13.51 H new ATOM 0 HH11 ARG A 47 12.078 15.404 -14.218 1.00 23.22 H new ATOM 0 HH12 ARG A 47 12.041 14.547 -15.763 1.00 23.22 H new ATOM 0 HH21 ARG A 47 9.534 12.275 -14.737 1.00 61.11 H new ATOM 0 HH22 ARG A 47 10.599 12.775 -16.055 1.00 61.11 H new ATOM 680 N ARG A 48 8.627 13.457 -8.112 1.00 0.34 N ATOM 681 CA ARG A 48 8.627 12.254 -7.339 1.00 0.21 C ATOM 682 C ARG A 48 8.992 12.679 -5.955 1.00 41.42 C ATOM 683 O ARG A 48 10.148 12.990 -5.690 1.00 70.34 O ATOM 684 CB ARG A 48 9.653 11.233 -7.859 1.00 5.11 C ATOM 685 CG ARG A 48 9.464 10.863 -9.310 1.00 31.34 C ATOM 686 CD ARG A 48 10.521 9.890 -9.798 1.00 44.40 C ATOM 687 NE ARG A 48 10.297 8.529 -9.337 1.00 51.03 N ATOM 688 CZ ARG A 48 10.111 7.472 -10.140 1.00 74.24 C ATOM 689 NH1 ARG A 48 9.929 7.628 -11.457 1.00 43.53 N ATOM 690 NH2 ARG A 48 10.063 6.268 -9.622 1.00 34.13 N ATOM 0 H ARG A 48 9.445 14.044 -7.950 1.00 0.34 H new ATOM 0 HA ARG A 48 7.656 11.762 -7.390 1.00 0.21 H new ATOM 0 HB2 ARG A 48 10.656 11.639 -7.725 1.00 5.11 H new ATOM 0 HB3 ARG A 48 9.592 10.329 -7.253 1.00 5.11 H new ATOM 0 HG2 ARG A 48 8.477 10.421 -9.444 1.00 31.34 H new ATOM 0 HG3 ARG A 48 9.495 11.766 -9.920 1.00 31.34 H new ATOM 0 HD2 ARG A 48 10.541 9.900 -10.888 1.00 44.40 H new ATOM 0 HD3 ARG A 48 11.501 10.226 -9.458 1.00 44.40 H new ATOM 0 HE ARG A 48 10.280 8.367 -8.330 1.00 51.03 H new ATOM 0 HH11 ARG A 48 9.930 8.563 -11.865 1.00 43.53 H new ATOM 0 HH12 ARG A 48 9.789 6.812 -12.053 1.00 43.53 H new ATOM 0 HH21 ARG A 48 10.167 6.141 -8.615 1.00 34.13 H new ATOM 0 HH22 ARG A 48 9.922 5.458 -10.226 1.00 34.13 H new ATOM 704 N HIS A 49 8.007 12.795 -5.120 1.00 45.13 N ATOM 705 CA HIS A 49 8.198 13.237 -3.753 1.00 70.41 C ATOM 706 C HIS A 49 8.336 12.034 -2.862 1.00 0.32 C ATOM 707 O HIS A 49 9.133 12.014 -1.951 1.00 65.54 O ATOM 708 CB HIS A 49 7.007 14.149 -3.307 1.00 3.25 C ATOM 709 CG HIS A 49 6.950 14.505 -1.826 1.00 53.34 C ATOM 710 ND1 HIS A 49 7.316 15.743 -1.364 1.00 63.45 N ATOM 711 CD2 HIS A 49 6.534 13.752 -0.775 1.00 42.22 C ATOM 712 CE1 HIS A 49 7.118 15.708 -0.048 1.00 73.04 C ATOM 713 NE2 HIS A 49 6.649 14.522 0.348 1.00 40.05 N ATOM 0 H HIS A 49 7.037 12.587 -5.359 1.00 45.13 H new ATOM 0 HA HIS A 49 9.109 13.831 -3.678 1.00 70.41 H new ATOM 0 HB2 HIS A 49 7.051 15.075 -3.880 1.00 3.25 H new ATOM 0 HB3 HIS A 49 6.075 13.652 -3.576 1.00 3.25 H new ATOM 0 HD2 HIS A 49 6.178 12.733 -0.819 1.00 42.22 H new ATOM 0 HE1 HIS A 49 7.313 16.536 0.617 1.00 73.04 H new ATOM 0 HE2 HIS A 49 6.421 14.245 1.303 1.00 40.05 H new ATOM 721 N LEU A 50 7.569 11.032 -3.153 1.00 64.13 N ATOM 722 CA LEU A 50 7.539 9.846 -2.364 1.00 45.21 C ATOM 723 C LEU A 50 6.894 8.759 -3.186 1.00 70.12 C ATOM 724 O LEU A 50 6.200 9.049 -4.145 1.00 44.23 O ATOM 725 CB LEU A 50 6.768 10.168 -1.049 1.00 33.14 C ATOM 726 CG LEU A 50 6.483 9.049 -0.046 1.00 5.31 C ATOM 727 CD1 LEU A 50 6.352 9.655 1.334 1.00 11.21 C ATOM 728 CD2 LEU A 50 5.172 8.360 -0.388 1.00 3.31 C ATOM 0 H LEU A 50 6.939 11.016 -3.955 1.00 64.13 H new ATOM 0 HA LEU A 50 8.532 9.496 -2.083 1.00 45.21 H new ATOM 0 HB2 LEU A 50 7.328 10.942 -0.524 1.00 33.14 H new ATOM 0 HB3 LEU A 50 5.810 10.604 -1.331 1.00 33.14 H new ATOM 0 HG LEU A 50 7.297 8.325 -0.080 1.00 5.31 H new ATOM 0 HD11 LEU A 50 6.148 8.867 2.059 1.00 11.21 H new ATOM 0 HD12 LEU A 50 7.280 10.161 1.599 1.00 11.21 H new ATOM 0 HD13 LEU A 50 5.533 10.374 1.339 1.00 11.21 H new ATOM 0 HD21 LEU A 50 4.980 7.565 0.333 1.00 3.31 H new ATOM 0 HD22 LEU A 50 4.360 9.086 -0.353 1.00 3.31 H new ATOM 0 HD23 LEU A 50 5.235 7.934 -1.389 1.00 3.31 H new ATOM 740 N GLU A 51 7.175 7.546 -2.875 1.00 53.00 N ATOM 741 CA GLU A 51 6.559 6.436 -3.532 1.00 12.40 C ATOM 742 C GLU A 51 6.187 5.411 -2.511 1.00 70.45 C ATOM 743 O GLU A 51 6.843 5.283 -1.460 1.00 21.34 O ATOM 744 CB GLU A 51 7.487 5.803 -4.572 1.00 41.33 C ATOM 745 CG GLU A 51 8.762 5.208 -3.998 1.00 31.21 C ATOM 746 CD GLU A 51 9.627 4.580 -5.047 1.00 14.11 C ATOM 747 OE1 GLU A 51 9.281 3.495 -5.549 1.00 51.33 O ATOM 748 OE2 GLU A 51 10.663 5.180 -5.416 1.00 11.22 O ATOM 0 H GLU A 51 7.845 7.286 -2.151 1.00 53.00 H new ATOM 0 HA GLU A 51 5.673 6.799 -4.053 1.00 12.40 H new ATOM 0 HB2 GLU A 51 6.941 5.021 -5.100 1.00 41.33 H new ATOM 0 HB3 GLU A 51 7.754 6.559 -5.311 1.00 41.33 H new ATOM 0 HG2 GLU A 51 9.325 5.989 -3.487 1.00 31.21 H new ATOM 0 HG3 GLU A 51 8.504 4.459 -3.249 1.00 31.21 H new ATOM 755 N ILE A 52 5.137 4.732 -2.766 1.00 15.20 N ATOM 756 CA ILE A 52 4.752 3.656 -1.945 1.00 51.12 C ATOM 757 C ILE A 52 4.818 2.401 -2.766 1.00 1.24 C ATOM 758 O ILE A 52 4.056 2.238 -3.722 1.00 41.14 O ATOM 759 CB ILE A 52 3.326 3.823 -1.367 1.00 63.30 C ATOM 760 CG1 ILE A 52 3.235 5.102 -0.517 1.00 22.53 C ATOM 761 CG2 ILE A 52 2.970 2.598 -0.537 1.00 3.43 C ATOM 762 CD1 ILE A 52 1.854 5.379 0.054 1.00 73.31 C ATOM 0 H ILE A 52 4.516 4.909 -3.556 1.00 15.20 H new ATOM 0 HA ILE A 52 5.431 3.615 -1.093 1.00 51.12 H new ATOM 0 HB ILE A 52 2.614 3.915 -2.188 1.00 63.30 H new ATOM 0 HG12 ILE A 52 3.947 5.029 0.305 1.00 22.53 H new ATOM 0 HG13 ILE A 52 3.540 5.952 -1.128 1.00 22.53 H new ATOM 0 HG21 ILE A 52 1.966 2.714 -0.129 1.00 3.43 H new ATOM 0 HG22 ILE A 52 3.005 1.709 -1.167 1.00 3.43 H new ATOM 0 HG23 ILE A 52 3.684 2.492 0.280 1.00 3.43 H new ATOM 0 HD11 ILE A 52 1.880 6.298 0.639 1.00 73.31 H new ATOM 0 HD12 ILE A 52 1.138 5.488 -0.761 1.00 73.31 H new ATOM 0 HD13 ILE A 52 1.552 4.550 0.694 1.00 73.31 H new ATOM 774 N ARG A 53 5.743 1.549 -2.456 1.00 30.33 N ATOM 775 CA ARG A 53 5.805 0.303 -3.128 1.00 60.34 C ATOM 776 C ARG A 53 4.999 -0.673 -2.352 1.00 2.10 C ATOM 777 O ARG A 53 5.285 -0.955 -1.186 1.00 53.00 O ATOM 778 CB ARG A 53 7.228 -0.239 -3.344 1.00 63.42 C ATOM 779 CG ARG A 53 7.201 -1.612 -4.023 1.00 61.04 C ATOM 780 CD ARG A 53 8.565 -2.258 -4.155 1.00 54.33 C ATOM 781 NE ARG A 53 8.429 -3.636 -4.676 1.00 72.22 N ATOM 782 CZ ARG A 53 9.390 -4.354 -5.278 1.00 72.04 C ATOM 783 NH1 ARG A 53 10.615 -3.861 -5.416 1.00 44.04 N ATOM 784 NH2 ARG A 53 9.123 -5.585 -5.702 1.00 11.22 N ATOM 0 H ARG A 53 6.459 1.697 -1.745 1.00 30.33 H new ATOM 0 HA ARG A 53 5.408 0.456 -4.132 1.00 60.34 H new ATOM 0 HB2 ARG A 53 7.798 0.461 -3.956 1.00 63.42 H new ATOM 0 HB3 ARG A 53 7.741 -0.315 -2.385 1.00 63.42 H new ATOM 0 HG2 ARG A 53 6.549 -2.275 -3.454 1.00 61.04 H new ATOM 0 HG3 ARG A 53 6.762 -1.507 -5.015 1.00 61.04 H new ATOM 0 HD2 ARG A 53 9.191 -1.668 -4.824 1.00 54.33 H new ATOM 0 HD3 ARG A 53 9.063 -2.275 -3.185 1.00 54.33 H new ATOM 0 HE ARG A 53 7.519 -4.083 -4.567 1.00 72.22 H new ATOM 0 HH11 ARG A 53 10.832 -2.929 -5.063 1.00 44.04 H new ATOM 0 HH12 ARG A 53 11.339 -4.414 -5.875 1.00 44.04 H new ATOM 0 HH21 ARG A 53 8.192 -5.979 -5.569 1.00 11.22 H new ATOM 0 HH22 ARG A 53 9.849 -6.135 -6.160 1.00 11.22 H new ATOM 798 N TRP A 54 3.972 -1.128 -2.947 1.00 12.01 N ATOM 799 CA TRP A 54 3.184 -2.105 -2.348 1.00 73.01 C ATOM 800 C TRP A 54 3.394 -3.403 -3.077 1.00 35.40 C ATOM 801 O TRP A 54 2.970 -3.575 -4.220 1.00 53.24 O ATOM 802 CB TRP A 54 1.704 -1.694 -2.309 1.00 13.04 C ATOM 803 CG TRP A 54 0.791 -2.813 -1.864 1.00 13.25 C ATOM 804 CD1 TRP A 54 -0.245 -3.349 -2.562 1.00 20.24 C ATOM 805 CD2 TRP A 54 0.880 -3.571 -0.642 1.00 52.24 C ATOM 806 NE1 TRP A 54 -0.811 -4.377 -1.848 1.00 40.12 N ATOM 807 CE2 TRP A 54 -0.134 -4.536 -0.675 1.00 64.13 C ATOM 808 CE3 TRP A 54 1.718 -3.523 0.470 1.00 4.31 C ATOM 809 CZ2 TRP A 54 -0.330 -5.445 0.355 1.00 0.42 C ATOM 810 CZ3 TRP A 54 1.521 -4.428 1.495 1.00 22.22 C ATOM 811 CH2 TRP A 54 0.505 -5.378 1.429 1.00 31.33 C ATOM 0 H TRP A 54 3.657 -0.827 -3.869 1.00 12.01 H new ATOM 0 HA TRP A 54 3.484 -2.230 -1.308 1.00 73.01 H new ATOM 0 HB2 TRP A 54 1.586 -0.846 -1.634 1.00 13.04 H new ATOM 0 HB3 TRP A 54 1.400 -1.357 -3.300 1.00 13.04 H new ATOM 0 HD1 TRP A 54 -0.575 -3.016 -3.535 1.00 20.24 H new ATOM 0 HE1 TRP A 54 -1.611 -4.934 -2.148 1.00 40.12 H new ATOM 0 HE3 TRP A 54 2.509 -2.790 0.530 1.00 4.31 H new ATOM 0 HZ2 TRP A 54 -1.119 -6.181 0.307 1.00 0.42 H new ATOM 0 HZ3 TRP A 54 2.165 -4.398 2.361 1.00 22.22 H new ATOM 0 HH2 TRP A 54 0.377 -6.074 2.244 1.00 31.33 H new ATOM 822 N ASP A 55 4.089 -4.279 -2.448 1.00 71.42 N ATOM 823 CA ASP A 55 4.319 -5.582 -2.994 1.00 45.31 C ATOM 824 C ASP A 55 3.589 -6.534 -2.083 1.00 63.30 C ATOM 825 O ASP A 55 3.123 -6.117 -1.016 1.00 71.02 O ATOM 826 CB ASP A 55 5.822 -5.900 -3.020 1.00 65.03 C ATOM 827 CG ASP A 55 6.180 -7.001 -3.996 1.00 64.52 C ATOM 828 OD1 ASP A 55 5.967 -8.193 -3.699 1.00 25.52 O ATOM 829 OD2 ASP A 55 6.683 -6.676 -5.099 1.00 24.23 O ATOM 0 H ASP A 55 4.519 -4.120 -1.537 1.00 71.42 H new ATOM 0 HA ASP A 55 3.966 -5.658 -4.022 1.00 45.31 H new ATOM 0 HB2 ASP A 55 6.374 -4.997 -3.282 1.00 65.03 H new ATOM 0 HB3 ASP A 55 6.143 -6.191 -2.020 1.00 65.03 H new ATOM 834 N GLY A 56 3.507 -7.780 -2.432 1.00 41.43 N ATOM 835 CA GLY A 56 2.773 -8.714 -1.619 1.00 11.24 C ATOM 836 C GLY A 56 3.594 -9.217 -0.452 1.00 63.35 C ATOM 837 O GLY A 56 3.911 -10.399 -0.380 1.00 2.12 O ATOM 0 H GLY A 56 3.935 -8.178 -3.268 1.00 41.43 H new ATOM 0 HA2 GLY A 56 1.867 -8.236 -1.246 1.00 11.24 H new ATOM 0 HA3 GLY A 56 2.458 -9.559 -2.232 1.00 11.24 H new ATOM 841 N GLN A 57 3.963 -8.314 0.428 1.00 22.00 N ATOM 842 CA GLN A 57 4.714 -8.636 1.621 1.00 23.21 C ATOM 843 C GLN A 57 4.603 -7.473 2.600 1.00 11.05 C ATOM 844 O GLN A 57 3.958 -7.583 3.635 1.00 23.22 O ATOM 845 CB GLN A 57 6.195 -8.900 1.293 1.00 10.45 C ATOM 846 CG GLN A 57 7.008 -9.437 2.468 1.00 32.41 C ATOM 847 CD GLN A 57 6.588 -10.838 2.889 1.00 22.32 C ATOM 848 OE1 GLN A 57 7.111 -11.823 2.377 1.00 11.34 O ATOM 849 NE2 GLN A 57 5.682 -10.939 3.829 1.00 22.23 N ATOM 0 H GLN A 57 3.747 -7.322 0.334 1.00 22.00 H new ATOM 0 HA GLN A 57 4.302 -9.544 2.062 1.00 23.21 H new ATOM 0 HB2 GLN A 57 6.252 -9.612 0.470 1.00 10.45 H new ATOM 0 HB3 GLN A 57 6.650 -7.973 0.944 1.00 10.45 H new ATOM 0 HG2 GLN A 57 8.064 -9.446 2.199 1.00 32.41 H new ATOM 0 HG3 GLN A 57 6.901 -8.761 3.316 1.00 32.41 H new ATOM 0 HE21 GLN A 57 5.269 -10.098 4.232 1.00 22.23 H new ATOM 0 HE22 GLN A 57 5.389 -11.859 4.159 1.00 22.23 H new ATOM 858 N VAL A 58 5.213 -6.354 2.248 1.00 42.50 N ATOM 859 CA VAL A 58 5.205 -5.163 3.081 1.00 4.12 C ATOM 860 C VAL A 58 4.989 -3.930 2.218 1.00 53.22 C ATOM 861 O VAL A 58 5.253 -3.953 0.997 1.00 13.42 O ATOM 862 CB VAL A 58 6.525 -4.981 3.914 1.00 0.20 C ATOM 863 CG1 VAL A 58 6.677 -6.063 4.975 1.00 71.33 C ATOM 864 CG2 VAL A 58 7.755 -4.950 3.008 1.00 13.20 C ATOM 0 H VAL A 58 5.729 -6.245 1.375 1.00 42.50 H new ATOM 0 HA VAL A 58 4.387 -5.288 3.791 1.00 4.12 H new ATOM 0 HB VAL A 58 6.448 -4.020 4.422 1.00 0.20 H new ATOM 0 HG11 VAL A 58 7.602 -5.902 5.529 1.00 71.33 H new ATOM 0 HG12 VAL A 58 5.831 -6.021 5.661 1.00 71.33 H new ATOM 0 HG13 VAL A 58 6.707 -7.041 4.495 1.00 71.33 H new ATOM 0 HG21 VAL A 58 8.651 -4.823 3.615 1.00 13.20 H new ATOM 0 HG22 VAL A 58 7.822 -5.886 2.453 1.00 13.20 H new ATOM 0 HG23 VAL A 58 7.670 -4.119 2.308 1.00 13.20 H new ATOM 874 N ALA A 59 4.506 -2.888 2.832 1.00 74.04 N ATOM 875 CA ALA A 59 4.280 -1.634 2.173 1.00 64.42 C ATOM 876 C ALA A 59 5.478 -0.752 2.402 1.00 43.33 C ATOM 877 O ALA A 59 5.700 -0.236 3.507 1.00 54.43 O ATOM 878 CB ALA A 59 3.009 -0.982 2.688 1.00 51.23 C ATOM 0 H ALA A 59 4.254 -2.886 3.820 1.00 74.04 H new ATOM 0 HA ALA A 59 4.149 -1.793 1.103 1.00 64.42 H new ATOM 0 HB1 ALA A 59 2.854 -0.032 2.176 1.00 51.23 H new ATOM 0 HB2 ALA A 59 2.160 -1.639 2.498 1.00 51.23 H new ATOM 0 HB3 ALA A 59 3.099 -0.806 3.760 1.00 51.23 H new ATOM 884 N LEU A 60 6.248 -0.601 1.382 1.00 70.24 N ATOM 885 CA LEU A 60 7.481 0.108 1.447 1.00 41.12 C ATOM 886 C LEU A 60 7.226 1.573 1.134 1.00 52.41 C ATOM 887 O LEU A 60 6.805 1.928 0.035 1.00 75.52 O ATOM 888 CB LEU A 60 8.453 -0.549 0.449 1.00 15.43 C ATOM 889 CG LEU A 60 9.943 -0.157 0.457 1.00 43.34 C ATOM 890 CD1 LEU A 60 10.687 -1.108 -0.445 1.00 50.43 C ATOM 891 CD2 LEU A 60 10.171 1.260 -0.041 1.00 73.11 C ATOM 0 H LEU A 60 6.035 -0.975 0.457 1.00 70.24 H new ATOM 0 HA LEU A 60 7.926 0.064 2.441 1.00 41.12 H new ATOM 0 HB2 LEU A 60 8.400 -1.626 0.605 1.00 15.43 H new ATOM 0 HB3 LEU A 60 8.071 -0.353 -0.553 1.00 15.43 H new ATOM 0 HG LEU A 60 10.300 -0.209 1.486 1.00 43.34 H new ATOM 0 HD11 LEU A 60 11.746 -0.848 -0.454 1.00 50.43 H new ATOM 0 HD12 LEU A 60 10.567 -2.127 -0.078 1.00 50.43 H new ATOM 0 HD13 LEU A 60 10.288 -1.038 -1.457 1.00 50.43 H new ATOM 0 HD21 LEU A 60 11.237 1.487 -0.016 1.00 73.11 H new ATOM 0 HD22 LEU A 60 9.805 1.350 -1.064 1.00 73.11 H new ATOM 0 HD23 LEU A 60 9.635 1.961 0.599 1.00 73.11 H new ATOM 903 N LEU A 61 7.452 2.387 2.102 1.00 70.43 N ATOM 904 CA LEU A 61 7.300 3.806 1.999 1.00 11.31 C ATOM 905 C LEU A 61 8.681 4.374 1.722 1.00 43.41 C ATOM 906 O LEU A 61 9.594 4.193 2.526 1.00 64.23 O ATOM 907 CB LEU A 61 6.712 4.317 3.355 1.00 60.33 C ATOM 908 CG LEU A 61 6.349 5.816 3.549 1.00 54.01 C ATOM 909 CD1 LEU A 61 7.556 6.752 3.520 1.00 54.24 C ATOM 910 CD2 LEU A 61 5.299 6.237 2.547 1.00 64.24 C ATOM 0 H LEU A 61 7.759 2.078 3.024 1.00 70.43 H new ATOM 0 HA LEU A 61 6.625 4.113 1.200 1.00 11.31 H new ATOM 0 HB2 LEU A 61 5.808 3.740 3.550 1.00 60.33 H new ATOM 0 HB3 LEU A 61 7.429 4.058 4.134 1.00 60.33 H new ATOM 0 HG LEU A 61 5.939 5.907 4.555 1.00 54.01 H new ATOM 0 HD11 LEU A 61 7.223 7.780 3.662 1.00 54.24 H new ATOM 0 HD12 LEU A 61 8.246 6.481 4.319 1.00 54.24 H new ATOM 0 HD13 LEU A 61 8.062 6.664 2.558 1.00 54.24 H new ATOM 0 HD21 LEU A 61 5.055 7.289 2.696 1.00 64.24 H new ATOM 0 HD22 LEU A 61 5.681 6.092 1.537 1.00 64.24 H new ATOM 0 HD23 LEU A 61 4.402 5.634 2.685 1.00 64.24 H new ATOM 922 N ALA A 62 8.850 5.003 0.589 1.00 73.02 N ATOM 923 CA ALA A 62 10.120 5.599 0.243 1.00 21.11 C ATOM 924 C ALA A 62 9.924 7.055 -0.113 1.00 2.23 C ATOM 925 O ALA A 62 9.159 7.384 -1.007 1.00 25.24 O ATOM 926 CB ALA A 62 10.781 4.845 -0.904 1.00 70.20 C ATOM 0 H ALA A 62 8.122 5.118 -0.116 1.00 73.02 H new ATOM 0 HA ALA A 62 10.782 5.535 1.106 1.00 21.11 H new ATOM 0 HB1 ALA A 62 11.735 5.313 -1.145 1.00 70.20 H new ATOM 0 HB2 ALA A 62 10.949 3.809 -0.609 1.00 70.20 H new ATOM 0 HB3 ALA A 62 10.132 4.872 -1.779 1.00 70.20 H new ATOM 932 N ASP A 63 10.587 7.904 0.595 1.00 30.34 N ATOM 933 CA ASP A 63 10.507 9.337 0.394 1.00 33.53 C ATOM 934 C ASP A 63 11.662 9.782 -0.504 1.00 32.22 C ATOM 935 O ASP A 63 12.817 9.403 -0.272 1.00 41.31 O ATOM 936 CB ASP A 63 10.534 10.034 1.782 1.00 14.43 C ATOM 937 CG ASP A 63 10.613 11.557 1.763 1.00 74.33 C ATOM 938 OD1 ASP A 63 9.588 12.240 1.541 1.00 12.52 O ATOM 939 OD2 ASP A 63 11.696 12.086 2.052 1.00 14.42 O ATOM 0 H ASP A 63 11.217 7.630 1.349 1.00 30.34 H new ATOM 0 HA ASP A 63 9.579 9.616 -0.105 1.00 33.53 H new ATOM 0 HB2 ASP A 63 9.638 9.743 2.330 1.00 14.43 H new ATOM 0 HB3 ASP A 63 11.388 9.652 2.342 1.00 14.43 H new ATOM 944 N LEU A 64 11.336 10.505 -1.551 1.00 34.31 N ATOM 945 CA LEU A 64 12.310 11.037 -2.519 1.00 63.53 C ATOM 946 C LEU A 64 12.341 12.527 -2.289 1.00 61.11 C ATOM 947 O LEU A 64 11.774 13.304 -3.082 1.00 62.32 O ATOM 948 CB LEU A 64 11.825 10.809 -3.989 1.00 72.23 C ATOM 949 CG LEU A 64 11.740 9.386 -4.583 1.00 54.14 C ATOM 950 CD1 LEU A 64 13.107 8.762 -4.735 1.00 74.04 C ATOM 951 CD2 LEU A 64 10.812 8.475 -3.797 1.00 31.32 C ATOM 0 H LEU A 64 10.371 10.753 -1.771 1.00 34.31 H new ATOM 0 HA LEU A 64 13.275 10.548 -2.387 1.00 63.53 H new ATOM 0 HB2 LEU A 64 10.831 11.249 -4.070 1.00 72.23 H new ATOM 0 HB3 LEU A 64 12.484 11.387 -4.637 1.00 72.23 H new ATOM 0 HG LEU A 64 11.307 9.499 -5.577 1.00 54.14 H new ATOM 0 HD11 LEU A 64 13.006 7.762 -5.156 1.00 74.04 H new ATOM 0 HD12 LEU A 64 13.715 9.375 -5.400 1.00 74.04 H new ATOM 0 HD13 LEU A 64 13.588 8.698 -3.759 1.00 74.04 H new ATOM 0 HD21 LEU A 64 10.792 7.489 -4.261 1.00 31.32 H new ATOM 0 HD22 LEU A 64 11.171 8.387 -2.772 1.00 31.32 H new ATOM 0 HD23 LEU A 64 9.806 8.895 -3.794 1.00 31.32 H new ATOM 963 N ASN A 65 13.015 12.943 -1.247 1.00 61.24 N ATOM 964 CA ASN A 65 12.843 14.291 -0.752 1.00 1.14 C ATOM 965 C ASN A 65 13.760 14.542 0.438 1.00 43.02 C ATOM 966 O ASN A 65 13.872 13.717 1.316 1.00 42.43 O ATOM 967 CB ASN A 65 11.368 14.359 -0.337 1.00 31.55 C ATOM 968 CG ASN A 65 10.945 15.460 0.550 1.00 4.21 C ATOM 969 OD1 ASN A 65 11.477 16.587 0.534 1.00 55.24 O ATOM 970 ND2 ASN A 65 9.977 15.134 1.353 1.00 64.44 N ATOM 0 H ASN A 65 13.684 12.375 -0.726 1.00 61.24 H new ATOM 0 HA ASN A 65 13.095 15.048 -1.495 1.00 1.14 H new ATOM 0 HB2 ASN A 65 10.768 14.414 -1.246 1.00 31.55 H new ATOM 0 HB3 ASN A 65 11.116 13.419 0.155 1.00 31.55 H new ATOM 0 HD21 ASN A 65 9.613 15.818 2.017 1.00 64.44 H new ATOM 0 HD22 ASN A 65 9.581 14.195 1.320 1.00 64.44 H new ATOM 977 N SER A 66 14.463 15.640 0.436 1.00 53.24 N ATOM 978 CA SER A 66 15.320 15.954 1.553 1.00 75.12 C ATOM 979 C SER A 66 14.800 17.130 2.406 1.00 65.05 C ATOM 980 O SER A 66 14.594 16.993 3.618 1.00 54.41 O ATOM 981 CB SER A 66 16.760 16.166 1.072 1.00 4.43 C ATOM 982 OG SER A 66 16.801 17.062 -0.031 1.00 64.33 O ATOM 0 H SER A 66 14.463 16.329 -0.317 1.00 53.24 H new ATOM 0 HA SER A 66 15.310 15.096 2.226 1.00 75.12 H new ATOM 0 HB2 SER A 66 17.366 16.560 1.888 1.00 4.43 H new ATOM 0 HB3 SER A 66 17.196 15.209 0.785 1.00 4.43 H new ATOM 0 HG SER A 66 17.730 17.183 -0.320 1.00 64.33 H new ATOM 988 N THR A 67 14.529 18.259 1.762 1.00 14.02 N ATOM 989 CA THR A 67 14.161 19.482 2.471 1.00 24.33 C ATOM 990 C THR A 67 12.741 19.432 3.092 1.00 1.10 C ATOM 991 O THR A 67 12.520 19.923 4.190 1.00 20.45 O ATOM 992 CB THR A 67 14.356 20.753 1.571 1.00 2.24 C ATOM 993 OG1 THR A 67 14.020 21.946 2.292 1.00 3.12 O ATOM 994 CG2 THR A 67 13.524 20.676 0.294 1.00 42.53 C ATOM 0 H THR A 67 14.557 18.354 0.747 1.00 14.02 H new ATOM 0 HA THR A 67 14.850 19.558 3.312 1.00 24.33 H new ATOM 0 HB THR A 67 15.409 20.786 1.292 1.00 2.24 H new ATOM 0 HG1 THR A 67 14.150 22.726 1.713 1.00 3.12 H new ATOM 0 HG21 THR A 67 13.687 21.574 -0.301 1.00 42.53 H new ATOM 0 HG22 THR A 67 13.822 19.800 -0.282 1.00 42.53 H new ATOM 0 HG23 THR A 67 12.468 20.598 0.552 1.00 42.53 H new ATOM 1002 N ASN A 68 11.824 18.778 2.434 1.00 73.12 N ATOM 1003 CA ASN A 68 10.423 18.719 2.872 1.00 43.53 C ATOM 1004 C ASN A 68 10.126 17.343 3.408 1.00 32.30 C ATOM 1005 O ASN A 68 8.984 16.880 3.329 1.00 72.21 O ATOM 1006 CB ASN A 68 9.448 19.053 1.706 1.00 71.02 C ATOM 1007 CG ASN A 68 9.436 20.527 1.298 1.00 13.21 C ATOM 1008 OD1 ASN A 68 10.429 21.238 1.432 1.00 10.03 O ATOM 1009 ND2 ASN A 68 8.319 20.988 0.785 1.00 13.33 N ATOM 0 H ASN A 68 12.010 18.263 1.573 1.00 73.12 H new ATOM 0 HA ASN A 68 10.276 19.464 3.654 1.00 43.53 H new ATOM 0 HB2 ASN A 68 9.717 18.450 0.839 1.00 71.02 H new ATOM 0 HB3 ASN A 68 8.439 18.760 1.997 1.00 71.02 H new ATOM 0 HD21 ASN A 68 8.259 21.961 0.485 1.00 13.33 H new ATOM 0 HD22 ASN A 68 7.511 20.373 0.686 1.00 13.33 H new ATOM 1016 N GLY A 69 11.166 16.697 3.953 1.00 43.14 N ATOM 1017 CA GLY A 69 11.135 15.283 4.361 1.00 63.21 C ATOM 1018 C GLY A 69 9.869 14.839 5.075 1.00 34.20 C ATOM 1019 O GLY A 69 9.394 15.489 6.020 1.00 72.30 O ATOM 0 H GLY A 69 12.065 17.147 4.126 1.00 43.14 H new ATOM 0 HA2 GLY A 69 11.268 14.663 3.474 1.00 63.21 H new ATOM 0 HA3 GLY A 69 11.986 15.092 5.014 1.00 63.21 H new ATOM 1023 N THR A 70 9.322 13.760 4.586 1.00 24.24 N ATOM 1024 CA THR A 70 8.094 13.202 5.079 1.00 34.51 C ATOM 1025 C THR A 70 8.307 12.500 6.442 1.00 62.13 C ATOM 1026 O THR A 70 9.337 11.830 6.671 1.00 71.40 O ATOM 1027 CB THR A 70 7.546 12.216 4.025 1.00 71.52 C ATOM 1028 OG1 THR A 70 7.419 12.903 2.756 1.00 71.34 O ATOM 1029 CG2 THR A 70 6.198 11.654 4.430 1.00 50.40 C ATOM 0 H THR A 70 9.729 13.232 3.814 1.00 24.24 H new ATOM 0 HA THR A 70 7.370 14.000 5.244 1.00 34.51 H new ATOM 0 HB THR A 70 8.244 11.383 3.942 1.00 71.52 H new ATOM 0 HG1 THR A 70 8.263 12.838 2.263 1.00 71.34 H new ATOM 0 HG21 THR A 70 5.846 10.965 3.663 1.00 50.40 H new ATOM 0 HG22 THR A 70 6.295 11.124 5.378 1.00 50.40 H new ATOM 0 HG23 THR A 70 5.483 12.469 4.541 1.00 50.40 H new ATOM 1037 N THR A 71 7.369 12.687 7.341 1.00 4.44 N ATOM 1038 CA THR A 71 7.435 12.104 8.638 1.00 52.35 C ATOM 1039 C THR A 71 6.513 10.911 8.756 1.00 72.03 C ATOM 1040 O THR A 71 5.410 10.897 8.210 1.00 11.02 O ATOM 1041 CB THR A 71 7.081 13.131 9.729 1.00 62.31 C ATOM 1042 OG1 THR A 71 5.851 13.800 9.409 1.00 51.43 O ATOM 1043 CG2 THR A 71 8.187 14.135 9.888 1.00 35.12 C ATOM 0 H THR A 71 6.537 13.254 7.180 1.00 4.44 H new ATOM 0 HA THR A 71 8.463 11.770 8.782 1.00 52.35 H new ATOM 0 HB THR A 71 6.956 12.598 10.671 1.00 62.31 H new ATOM 0 HG1 THR A 71 5.639 14.448 10.112 1.00 51.43 H new ATOM 0 HG21 THR A 71 7.918 14.852 10.663 1.00 35.12 H new ATOM 0 HG22 THR A 71 9.106 13.622 10.171 1.00 35.12 H new ATOM 0 HG23 THR A 71 8.340 14.660 8.945 1.00 35.12 H new ATOM 1051 N VAL A 72 6.977 9.918 9.437 1.00 14.23 N ATOM 1052 CA VAL A 72 6.210 8.765 9.740 1.00 1.33 C ATOM 1053 C VAL A 72 6.070 8.698 11.246 1.00 11.11 C ATOM 1054 O VAL A 72 7.065 8.682 11.977 1.00 74.30 O ATOM 1055 CB VAL A 72 6.846 7.464 9.178 1.00 51.31 C ATOM 1056 CG1 VAL A 72 6.882 7.510 7.657 1.00 14.32 C ATOM 1057 CG2 VAL A 72 8.252 7.271 9.710 1.00 53.42 C ATOM 0 H VAL A 72 7.927 9.889 9.807 1.00 14.23 H new ATOM 0 HA VAL A 72 5.233 8.843 9.263 1.00 1.33 H new ATOM 0 HB VAL A 72 6.232 6.624 9.503 1.00 51.31 H new ATOM 0 HG11 VAL A 72 7.330 6.592 7.276 1.00 14.32 H new ATOM 0 HG12 VAL A 72 5.867 7.605 7.272 1.00 14.32 H new ATOM 0 HG13 VAL A 72 7.475 8.365 7.333 1.00 14.32 H new ATOM 0 HG21 VAL A 72 8.673 6.353 9.300 1.00 53.42 H new ATOM 0 HG22 VAL A 72 8.872 8.118 9.415 1.00 53.42 H new ATOM 0 HG23 VAL A 72 8.223 7.203 10.798 1.00 53.42 H new ATOM 1067 N ASN A 73 4.845 8.786 11.708 1.00 62.44 N ATOM 1068 CA ASN A 73 4.522 8.780 13.135 1.00 50.22 C ATOM 1069 C ASN A 73 5.271 9.906 13.849 1.00 34.44 C ATOM 1070 O ASN A 73 5.694 9.763 14.997 1.00 40.23 O ATOM 1071 CB ASN A 73 4.813 7.407 13.771 1.00 4.20 C ATOM 1072 CG ASN A 73 3.934 6.303 13.215 1.00 32.02 C ATOM 1073 OD1 ASN A 73 2.796 6.540 12.812 1.00 72.53 O ATOM 1074 ND2 ASN A 73 4.441 5.107 13.183 1.00 10.32 N ATOM 0 H ASN A 73 4.027 8.865 11.104 1.00 62.44 H new ATOM 0 HA ASN A 73 3.453 8.959 13.249 1.00 50.22 H new ATOM 0 HB2 ASN A 73 5.859 7.150 13.606 1.00 4.20 H new ATOM 0 HB3 ASN A 73 4.667 7.473 14.849 1.00 4.20 H new ATOM 0 HD21 ASN A 73 3.892 4.330 12.816 1.00 10.32 H new ATOM 0 HD22 ASN A 73 5.388 4.945 13.525 1.00 10.32 H new ATOM 1081 N ASN A 74 5.429 11.030 13.111 1.00 2.54 N ATOM 1082 CA ASN A 74 6.089 12.276 13.562 1.00 41.34 C ATOM 1083 C ASN A 74 7.631 12.258 13.351 1.00 62.03 C ATOM 1084 O ASN A 74 8.290 13.296 13.435 1.00 12.02 O ATOM 1085 CB ASN A 74 5.676 12.680 15.021 1.00 64.41 C ATOM 1086 CG ASN A 74 6.265 13.999 15.508 1.00 4.33 C ATOM 1087 OD1 ASN A 74 5.699 15.062 15.276 1.00 22.01 O ATOM 1088 ND2 ASN A 74 7.365 13.942 16.218 1.00 34.22 N ATOM 0 H ASN A 74 5.088 11.095 12.152 1.00 2.54 H new ATOM 0 HA ASN A 74 5.715 13.067 12.912 1.00 41.34 H new ATOM 0 HB2 ASN A 74 4.589 12.742 15.072 1.00 64.41 H new ATOM 0 HB3 ASN A 74 5.982 11.887 15.703 1.00 64.41 H new ATOM 0 HD21 ASN A 74 7.774 14.797 16.595 1.00 34.22 H new ATOM 0 HD22 ASN A 74 7.812 13.042 16.394 1.00 34.22 H new ATOM 1095 N ALA A 75 8.186 11.107 13.009 1.00 63.10 N ATOM 1096 CA ALA A 75 9.634 10.988 12.809 1.00 23.02 C ATOM 1097 C ALA A 75 10.000 11.096 11.316 1.00 24.31 C ATOM 1098 O ALA A 75 9.452 10.370 10.501 1.00 54.44 O ATOM 1099 CB ALA A 75 10.129 9.664 13.373 1.00 73.33 C ATOM 0 H ALA A 75 7.665 10.242 12.863 1.00 63.10 H new ATOM 0 HA ALA A 75 10.119 11.809 13.337 1.00 23.02 H new ATOM 0 HB1 ALA A 75 11.205 9.583 13.221 1.00 73.33 H new ATOM 0 HB2 ALA A 75 9.909 9.618 14.440 1.00 73.33 H new ATOM 0 HB3 ALA A 75 9.628 8.841 12.863 1.00 73.33 H new ATOM 1105 N PRO A 76 10.899 12.021 10.925 1.00 13.31 N ATOM 1106 CA PRO A 76 11.322 12.169 9.522 1.00 32.54 C ATOM 1107 C PRO A 76 12.251 11.026 9.091 1.00 73.40 C ATOM 1108 O PRO A 76 13.293 10.775 9.727 1.00 55.24 O ATOM 1109 CB PRO A 76 12.089 13.509 9.503 1.00 50.04 C ATOM 1110 CG PRO A 76 11.868 14.127 10.846 1.00 21.55 C ATOM 1111 CD PRO A 76 11.568 13.001 11.790 1.00 64.31 C ATOM 0 HA PRO A 76 10.475 12.146 8.836 1.00 32.54 H new ATOM 0 HB2 PRO A 76 13.151 13.349 9.317 1.00 50.04 H new ATOM 0 HB3 PRO A 76 11.721 14.159 8.709 1.00 50.04 H new ATOM 0 HG2 PRO A 76 12.751 14.679 11.169 1.00 21.55 H new ATOM 0 HG3 PRO A 76 11.042 14.837 10.815 1.00 21.55 H new ATOM 0 HD2 PRO A 76 12.476 12.594 12.236 1.00 64.31 H new ATOM 0 HD3 PRO A 76 10.926 13.321 12.611 1.00 64.31 H new ATOM 1119 N VAL A 77 11.898 10.348 8.020 1.00 45.23 N ATOM 1120 CA VAL A 77 12.670 9.206 7.536 1.00 41.02 C ATOM 1121 C VAL A 77 12.844 9.290 6.037 1.00 51.51 C ATOM 1122 O VAL A 77 12.264 10.158 5.388 1.00 40.23 O ATOM 1123 CB VAL A 77 11.986 7.844 7.864 1.00 5.23 C ATOM 1124 CG1 VAL A 77 11.868 7.619 9.364 1.00 11.51 C ATOM 1125 CG2 VAL A 77 10.622 7.757 7.191 1.00 70.25 C ATOM 0 H VAL A 77 11.075 10.565 7.458 1.00 45.23 H new ATOM 0 HA VAL A 77 13.633 9.247 8.045 1.00 41.02 H new ATOM 0 HB VAL A 77 12.620 7.051 7.468 1.00 5.23 H new ATOM 0 HG11 VAL A 77 11.386 6.659 9.551 1.00 11.51 H new ATOM 0 HG12 VAL A 77 12.862 7.619 9.811 1.00 11.51 H new ATOM 0 HG13 VAL A 77 11.271 8.417 9.806 1.00 11.51 H new ATOM 0 HG21 VAL A 77 10.159 6.800 7.430 1.00 70.25 H new ATOM 0 HG22 VAL A 77 9.987 8.567 7.549 1.00 70.25 H new ATOM 0 HG23 VAL A 77 10.743 7.841 6.111 1.00 70.25 H new ATOM 1135 N GLN A 78 13.639 8.403 5.507 1.00 64.21 N ATOM 1136 CA GLN A 78 13.839 8.302 4.082 1.00 62.43 C ATOM 1137 C GLN A 78 13.040 7.124 3.547 1.00 55.23 C ATOM 1138 O GLN A 78 12.496 7.176 2.447 1.00 62.55 O ATOM 1139 CB GLN A 78 15.325 8.158 3.759 1.00 42.32 C ATOM 1140 CG GLN A 78 16.141 9.364 4.192 1.00 20.44 C ATOM 1141 CD GLN A 78 17.620 9.227 3.912 1.00 41.44 C ATOM 1142 OE1 GLN A 78 18.038 8.550 2.973 1.00 34.12 O ATOM 1143 NE2 GLN A 78 18.420 9.889 4.705 1.00 64.32 N ATOM 0 H GLN A 78 14.171 7.724 6.052 1.00 64.21 H new ATOM 0 HA GLN A 78 13.487 9.213 3.598 1.00 62.43 H new ATOM 0 HB2 GLN A 78 15.714 7.266 4.250 1.00 42.32 H new ATOM 0 HB3 GLN A 78 15.446 8.009 2.686 1.00 42.32 H new ATOM 0 HG2 GLN A 78 15.764 10.250 3.681 1.00 20.44 H new ATOM 0 HG3 GLN A 78 15.996 9.526 5.260 1.00 20.44 H new ATOM 0 HE21 GLN A 78 18.036 10.439 5.473 1.00 64.32 H new ATOM 0 HE22 GLN A 78 19.428 9.855 4.556 1.00 64.32 H new ATOM 1152 N GLU A 79 12.954 6.076 4.344 1.00 24.13 N ATOM 1153 CA GLU A 79 12.168 4.916 4.008 1.00 34.12 C ATOM 1154 C GLU A 79 11.656 4.249 5.276 1.00 5.23 C ATOM 1155 O GLU A 79 12.296 4.333 6.326 1.00 23.40 O ATOM 1156 CB GLU A 79 12.936 3.943 3.099 1.00 14.31 C ATOM 1157 CG GLU A 79 14.270 3.476 3.637 1.00 30.15 C ATOM 1158 CD GLU A 79 14.978 2.576 2.664 1.00 60.30 C ATOM 1159 OE1 GLU A 79 14.736 1.350 2.681 1.00 51.43 O ATOM 1160 OE2 GLU A 79 15.803 3.070 1.861 1.00 11.04 O ATOM 0 H GLU A 79 13.430 6.010 5.244 1.00 24.13 H new ATOM 0 HA GLU A 79 11.304 5.241 3.428 1.00 34.12 H new ATOM 0 HB2 GLU A 79 12.310 3.070 2.917 1.00 14.31 H new ATOM 0 HB3 GLU A 79 13.100 4.424 2.135 1.00 14.31 H new ATOM 0 HG2 GLU A 79 14.897 4.340 3.855 1.00 30.15 H new ATOM 0 HG3 GLU A 79 14.118 2.947 4.578 1.00 30.15 H new ATOM 1167 N TRP A 80 10.511 3.626 5.176 1.00 10.25 N ATOM 1168 CA TRP A 80 9.808 3.042 6.308 1.00 55.05 C ATOM 1169 C TRP A 80 8.845 1.997 5.781 1.00 34.21 C ATOM 1170 O TRP A 80 8.439 2.064 4.626 1.00 11.21 O ATOM 1171 CB TRP A 80 9.044 4.185 7.030 1.00 62.04 C ATOM 1172 CG TRP A 80 8.134 3.818 8.175 1.00 11.44 C ATOM 1173 CD1 TRP A 80 6.796 3.541 8.103 1.00 2.34 C ATOM 1174 CD2 TRP A 80 8.476 3.758 9.562 1.00 3.51 C ATOM 1175 NE1 TRP A 80 6.295 3.293 9.354 1.00 61.54 N ATOM 1176 CE2 TRP A 80 7.304 3.423 10.267 1.00 1.21 C ATOM 1177 CE3 TRP A 80 9.662 3.949 10.278 1.00 63.02 C ATOM 1178 CZ2 TRP A 80 7.282 3.283 11.646 1.00 2.22 C ATOM 1179 CZ3 TRP A 80 9.635 3.808 11.649 1.00 61.35 C ATOM 1180 CH2 TRP A 80 8.452 3.477 12.317 1.00 72.43 C ATOM 0 H TRP A 80 10.023 3.503 4.289 1.00 10.25 H new ATOM 0 HA TRP A 80 10.492 2.566 7.010 1.00 55.05 H new ATOM 0 HB2 TRP A 80 9.782 4.895 7.405 1.00 62.04 H new ATOM 0 HB3 TRP A 80 8.447 4.710 6.284 1.00 62.04 H new ATOM 0 HD1 TRP A 80 6.218 3.521 7.191 1.00 2.34 H new ATOM 0 HE1 TRP A 80 5.328 3.051 9.569 1.00 61.54 H new ATOM 0 HE3 TRP A 80 10.580 4.202 9.768 1.00 63.02 H new ATOM 0 HZ2 TRP A 80 6.372 3.030 12.169 1.00 2.22 H new ATOM 0 HZ3 TRP A 80 10.542 3.956 12.216 1.00 61.35 H new ATOM 0 HH2 TRP A 80 8.466 3.372 13.392 1.00 72.43 H new ATOM 1191 N GLN A 81 8.534 1.013 6.568 1.00 71.30 N ATOM 1192 CA GLN A 81 7.531 0.064 6.160 1.00 0.14 C ATOM 1193 C GLN A 81 6.244 0.313 6.927 1.00 11.45 C ATOM 1194 O GLN A 81 6.182 0.161 8.156 1.00 30.23 O ATOM 1195 CB GLN A 81 8.007 -1.394 6.216 1.00 22.14 C ATOM 1196 CG GLN A 81 8.482 -1.881 7.563 1.00 45.22 C ATOM 1197 CD GLN A 81 8.929 -3.323 7.516 1.00 44.30 C ATOM 1198 OE1 GLN A 81 9.414 -3.816 6.491 1.00 75.14 O ATOM 1199 NE2 GLN A 81 8.777 -4.010 8.604 1.00 61.31 N ATOM 0 H GLN A 81 8.950 0.843 7.484 1.00 71.30 H new ATOM 0 HA GLN A 81 7.327 0.227 5.102 1.00 0.14 H new ATOM 0 HB2 GLN A 81 7.190 -2.036 5.887 1.00 22.14 H new ATOM 0 HB3 GLN A 81 8.819 -1.519 5.499 1.00 22.14 H new ATOM 0 HG2 GLN A 81 9.307 -1.256 7.904 1.00 45.22 H new ATOM 0 HG3 GLN A 81 7.678 -1.774 8.292 1.00 45.22 H new ATOM 0 HE21 GLN A 81 8.373 -3.572 9.432 1.00 61.31 H new ATOM 0 HE22 GLN A 81 9.061 -4.989 8.633 1.00 61.31 H new ATOM 1208 N LEU A 82 5.256 0.764 6.189 1.00 31.31 N ATOM 1209 CA LEU A 82 3.949 1.174 6.709 1.00 3.13 C ATOM 1210 C LEU A 82 3.246 0.054 7.460 1.00 11.24 C ATOM 1211 O LEU A 82 3.211 -1.086 7.002 1.00 15.32 O ATOM 1212 CB LEU A 82 3.049 1.589 5.541 1.00 74.33 C ATOM 1213 CG LEU A 82 3.596 2.667 4.616 1.00 22.51 C ATOM 1214 CD1 LEU A 82 2.663 2.886 3.435 1.00 5.42 C ATOM 1215 CD2 LEU A 82 3.787 3.953 5.374 1.00 14.05 C ATOM 0 H LEU A 82 5.331 0.863 5.177 1.00 31.31 H new ATOM 0 HA LEU A 82 4.124 1.999 7.399 1.00 3.13 H new ATOM 0 HB2 LEU A 82 2.834 0.703 4.944 1.00 74.33 H new ATOM 0 HB3 LEU A 82 2.100 1.937 5.948 1.00 74.33 H new ATOM 0 HG LEU A 82 4.562 2.336 4.234 1.00 22.51 H new ATOM 0 HD11 LEU A 82 3.073 3.660 2.786 1.00 5.42 H new ATOM 0 HD12 LEU A 82 2.563 1.957 2.873 1.00 5.42 H new ATOM 0 HD13 LEU A 82 1.684 3.197 3.798 1.00 5.42 H new ATOM 0 HD21 LEU A 82 4.179 4.717 4.702 1.00 14.05 H new ATOM 0 HD22 LEU A 82 2.830 4.282 5.779 1.00 14.05 H new ATOM 0 HD23 LEU A 82 4.491 3.793 6.191 1.00 14.05 H new ATOM 1227 N ALA A 83 2.706 0.377 8.594 1.00 1.12 N ATOM 1228 CA ALA A 83 1.878 -0.534 9.336 1.00 0.42 C ATOM 1229 C ALA A 83 0.507 0.085 9.502 1.00 65.34 C ATOM 1230 O ALA A 83 0.328 1.295 9.277 1.00 40.55 O ATOM 1231 CB ALA A 83 2.488 -0.859 10.694 1.00 75.34 C ATOM 0 H ALA A 83 2.826 1.287 9.038 1.00 1.12 H new ATOM 0 HA ALA A 83 1.798 -1.473 8.788 1.00 0.42 H new ATOM 0 HB1 ALA A 83 1.837 -1.550 11.229 1.00 75.34 H new ATOM 0 HB2 ALA A 83 3.467 -1.318 10.553 1.00 75.34 H new ATOM 0 HB3 ALA A 83 2.597 0.058 11.273 1.00 75.34 H new ATOM 1237 N ASP A 84 -0.456 -0.724 9.868 1.00 32.44 N ATOM 1238 CA ASP A 84 -1.821 -0.263 10.069 1.00 34.55 C ATOM 1239 C ASP A 84 -1.906 0.674 11.265 1.00 11.31 C ATOM 1240 O ASP A 84 -1.641 0.281 12.402 1.00 31.33 O ATOM 1241 CB ASP A 84 -2.770 -1.451 10.238 1.00 12.23 C ATOM 1242 CG ASP A 84 -4.196 -1.050 10.575 1.00 74.00 C ATOM 1243 OD1 ASP A 84 -4.932 -0.551 9.704 1.00 45.23 O ATOM 1244 OD2 ASP A 84 -4.624 -1.256 11.710 1.00 50.04 O ATOM 0 H ASP A 84 -0.323 -1.721 10.037 1.00 32.44 H new ATOM 0 HA ASP A 84 -2.127 0.295 9.184 1.00 34.55 H new ATOM 0 HB2 ASP A 84 -2.774 -2.035 9.318 1.00 12.23 H new ATOM 0 HB3 ASP A 84 -2.389 -2.100 11.026 1.00 12.23 H new ATOM 1249 N GLY A 85 -2.230 1.911 10.987 1.00 73.33 N ATOM 1250 CA GLY A 85 -2.351 2.911 12.007 1.00 22.20 C ATOM 1251 C GLY A 85 -1.214 3.918 11.974 1.00 32.31 C ATOM 1252 O GLY A 85 -1.155 4.820 12.822 1.00 43.04 O ATOM 0 H GLY A 85 -2.417 2.250 10.043 1.00 73.33 H new ATOM 0 HA2 GLY A 85 -3.299 3.435 11.887 1.00 22.20 H new ATOM 0 HA3 GLY A 85 -2.375 2.428 12.984 1.00 22.20 H new ATOM 1256 N ASP A 86 -0.288 3.760 11.031 1.00 5.12 N ATOM 1257 CA ASP A 86 0.828 4.711 10.899 1.00 25.33 C ATOM 1258 C ASP A 86 0.362 6.039 10.343 1.00 4.15 C ATOM 1259 O ASP A 86 -0.527 6.091 9.473 1.00 72.41 O ATOM 1260 CB ASP A 86 2.010 4.179 10.053 1.00 11.31 C ATOM 1261 CG ASP A 86 2.905 3.183 10.769 1.00 20.20 C ATOM 1262 OD1 ASP A 86 2.904 3.137 12.020 1.00 10.13 O ATOM 1263 OD2 ASP A 86 3.670 2.456 10.093 1.00 21.45 O ATOM 0 H ASP A 86 -0.281 2.997 10.354 1.00 5.12 H new ATOM 0 HA ASP A 86 1.200 4.849 11.914 1.00 25.33 H new ATOM 0 HB2 ASP A 86 1.613 3.709 9.154 1.00 11.31 H new ATOM 0 HB3 ASP A 86 2.617 5.025 9.729 1.00 11.31 H new ATOM 1268 N VAL A 87 0.949 7.100 10.856 1.00 65.10 N ATOM 1269 CA VAL A 87 0.638 8.461 10.450 1.00 20.32 C ATOM 1270 C VAL A 87 1.754 8.978 9.571 1.00 53.25 C ATOM 1271 O VAL A 87 2.868 9.149 10.026 1.00 74.25 O ATOM 1272 CB VAL A 87 0.506 9.414 11.679 1.00 21.14 C ATOM 1273 CG1 VAL A 87 0.098 10.820 11.243 1.00 11.53 C ATOM 1274 CG2 VAL A 87 -0.473 8.859 12.707 1.00 2.10 C ATOM 0 H VAL A 87 1.667 7.044 11.578 1.00 65.10 H new ATOM 0 HA VAL A 87 -0.313 8.443 9.918 1.00 20.32 H new ATOM 0 HB VAL A 87 1.486 9.478 12.152 1.00 21.14 H new ATOM 0 HG11 VAL A 87 0.014 11.463 12.119 1.00 11.53 H new ATOM 0 HG12 VAL A 87 0.852 11.225 10.568 1.00 11.53 H new ATOM 0 HG13 VAL A 87 -0.863 10.777 10.730 1.00 11.53 H new ATOM 0 HG21 VAL A 87 -0.543 9.546 13.551 1.00 2.10 H new ATOM 0 HG22 VAL A 87 -1.456 8.745 12.249 1.00 2.10 H new ATOM 0 HG23 VAL A 87 -0.122 7.888 13.057 1.00 2.10 H new ATOM 1284 N ILE A 88 1.474 9.217 8.338 1.00 44.15 N ATOM 1285 CA ILE A 88 2.483 9.702 7.436 1.00 50.45 C ATOM 1286 C ILE A 88 2.153 11.139 7.075 1.00 54.12 C ATOM 1287 O ILE A 88 1.096 11.414 6.501 1.00 71.51 O ATOM 1288 CB ILE A 88 2.614 8.810 6.143 1.00 44.13 C ATOM 1289 CG1 ILE A 88 3.108 7.380 6.459 1.00 24.22 C ATOM 1290 CG2 ILE A 88 3.528 9.450 5.110 1.00 53.24 C ATOM 1291 CD1 ILE A 88 2.109 6.481 7.156 1.00 23.01 C ATOM 0 H ILE A 88 0.553 9.087 7.920 1.00 44.15 H new ATOM 0 HA ILE A 88 3.451 9.652 7.935 1.00 50.45 H new ATOM 0 HB ILE A 88 1.609 8.736 5.728 1.00 44.13 H new ATOM 0 HG12 ILE A 88 3.408 6.904 5.525 1.00 24.22 H new ATOM 0 HG13 ILE A 88 4.000 7.452 7.081 1.00 24.22 H new ATOM 0 HG21 ILE A 88 3.593 8.806 4.233 1.00 53.24 H new ATOM 0 HG22 ILE A 88 3.125 10.420 4.819 1.00 53.24 H new ATOM 0 HG23 ILE A 88 4.522 9.584 5.537 1.00 53.24 H new ATOM 0 HD11 ILE A 88 2.559 5.503 7.329 1.00 23.01 H new ATOM 0 HD12 ILE A 88 1.825 6.924 8.110 1.00 23.01 H new ATOM 0 HD13 ILE A 88 1.224 6.367 6.531 1.00 23.01 H new ATOM 1303 N ARG A 89 3.011 12.051 7.440 1.00 61.21 N ATOM 1304 CA ARG A 89 2.753 13.441 7.195 1.00 20.42 C ATOM 1305 C ARG A 89 3.795 14.025 6.265 1.00 52.20 C ATOM 1306 O ARG A 89 4.997 13.856 6.455 1.00 22.40 O ATOM 1307 CB ARG A 89 2.673 14.236 8.500 1.00 22.04 C ATOM 1308 CG ARG A 89 2.286 15.698 8.304 1.00 75.40 C ATOM 1309 CD ARG A 89 2.238 16.443 9.617 1.00 2.23 C ATOM 1310 NE ARG A 89 1.801 17.838 9.440 1.00 52.10 N ATOM 1311 CZ ARG A 89 2.325 18.898 10.075 1.00 43.01 C ATOM 1312 NH1 ARG A 89 3.395 18.759 10.853 1.00 11.22 N ATOM 1313 NH2 ARG A 89 1.793 20.100 9.907 1.00 62.23 N ATOM 0 H ARG A 89 3.896 11.856 7.909 1.00 61.21 H new ATOM 0 HA ARG A 89 1.781 13.517 6.707 1.00 20.42 H new ATOM 0 HB2 ARG A 89 1.946 13.762 9.160 1.00 22.04 H new ATOM 0 HB3 ARG A 89 3.639 14.189 9.003 1.00 22.04 H new ATOM 0 HG2 ARG A 89 3.003 16.178 7.639 1.00 75.40 H new ATOM 0 HG3 ARG A 89 1.312 15.755 7.817 1.00 75.40 H new ATOM 0 HD2 ARG A 89 1.558 15.933 10.299 1.00 2.23 H new ATOM 0 HD3 ARG A 89 3.225 16.427 10.080 1.00 2.23 H new ATOM 0 HE ARG A 89 1.040 18.012 8.783 1.00 52.10 H new ATOM 0 HH11 ARG A 89 3.824 17.841 10.971 1.00 11.22 H new ATOM 0 HH12 ARG A 89 3.786 19.570 11.332 1.00 11.22 H new ATOM 0 HH21 ARG A 89 0.986 20.219 9.295 1.00 62.23 H new ATOM 0 HH22 ARG A 89 2.191 20.906 10.389 1.00 62.23 H new ATOM 1327 N LEU A 90 3.322 14.694 5.279 1.00 14.44 N ATOM 1328 CA LEU A 90 4.124 15.326 4.282 1.00 32.32 C ATOM 1329 C LEU A 90 3.628 16.739 4.128 1.00 24.22 C ATOM 1330 O LEU A 90 2.566 17.054 4.658 1.00 4.01 O ATOM 1331 CB LEU A 90 4.149 14.548 2.924 1.00 4.14 C ATOM 1332 CG LEU A 90 2.809 14.220 2.214 1.00 23.43 C ATOM 1333 CD1 LEU A 90 3.092 13.723 0.812 1.00 25.33 C ATOM 1334 CD2 LEU A 90 2.021 13.139 2.957 1.00 54.51 C ATOM 0 H LEU A 90 2.321 14.826 5.133 1.00 14.44 H new ATOM 0 HA LEU A 90 5.165 15.328 4.605 1.00 32.32 H new ATOM 0 HB2 LEU A 90 4.757 15.125 2.227 1.00 4.14 H new ATOM 0 HB3 LEU A 90 4.669 13.605 3.096 1.00 4.14 H new ATOM 0 HG LEU A 90 2.215 15.134 2.195 1.00 23.43 H new ATOM 0 HD11 LEU A 90 2.152 13.492 0.311 1.00 25.33 H new ATOM 0 HD12 LEU A 90 3.621 14.494 0.252 1.00 25.33 H new ATOM 0 HD13 LEU A 90 3.707 12.824 0.862 1.00 25.33 H new ATOM 0 HD21 LEU A 90 1.090 12.939 2.427 1.00 54.51 H new ATOM 0 HD22 LEU A 90 2.614 12.226 3.006 1.00 54.51 H new ATOM 0 HD23 LEU A 90 1.797 13.481 3.967 1.00 54.51 H new ATOM 1346 N GLY A 91 4.422 17.590 3.504 1.00 33.52 N ATOM 1347 CA GLY A 91 4.084 19.002 3.325 1.00 24.31 C ATOM 1348 C GLY A 91 2.637 19.269 2.908 1.00 64.41 C ATOM 1349 O GLY A 91 2.272 19.125 1.744 1.00 22.32 O ATOM 0 H GLY A 91 5.323 17.327 3.104 1.00 33.52 H new ATOM 0 HA2 GLY A 91 4.281 19.529 4.259 1.00 24.31 H new ATOM 0 HA3 GLY A 91 4.748 19.427 2.573 1.00 24.31 H new ATOM 1353 N HIS A 92 1.829 19.611 3.914 1.00 71.12 N ATOM 1354 CA HIS A 92 0.421 19.991 3.789 1.00 74.35 C ATOM 1355 C HIS A 92 -0.517 18.821 3.528 1.00 52.53 C ATOM 1356 O HIS A 92 -1.673 19.016 3.120 1.00 34.51 O ATOM 1357 CB HIS A 92 0.203 21.162 2.806 1.00 4.23 C ATOM 1358 CG HIS A 92 0.772 22.450 3.319 1.00 11.43 C ATOM 1359 ND1 HIS A 92 0.016 23.523 3.731 1.00 51.34 N ATOM 1360 CD2 HIS A 92 2.059 22.813 3.508 1.00 34.54 C ATOM 1361 CE1 HIS A 92 0.853 24.478 4.149 1.00 61.30 C ATOM 1362 NE2 HIS A 92 2.108 24.093 4.037 1.00 65.11 N ATOM 0 H HIS A 92 2.153 19.631 4.881 1.00 71.12 H new ATOM 0 HA HIS A 92 0.142 20.360 4.776 1.00 74.35 H new ATOM 0 HB2 HIS A 92 0.664 20.920 1.848 1.00 4.23 H new ATOM 0 HB3 HIS A 92 -0.864 21.286 2.624 1.00 4.23 H new ATOM 0 HD2 HIS A 92 2.919 22.200 3.282 1.00 34.54 H new ATOM 0 HE1 HIS A 92 0.541 25.440 4.529 1.00 61.30 H new ATOM 0 HE2 HIS A 92 2.941 24.626 4.287 1.00 65.11 H new ATOM 1370 N SER A 93 -0.074 17.622 3.832 1.00 51.02 N ATOM 1371 CA SER A 93 -0.920 16.476 3.686 1.00 70.51 C ATOM 1372 C SER A 93 -0.561 15.436 4.744 1.00 0.35 C ATOM 1373 O SER A 93 0.603 15.222 5.051 1.00 64.41 O ATOM 1374 CB SER A 93 -0.791 15.896 2.269 1.00 14.03 C ATOM 1375 OG SER A 93 -1.846 14.992 1.982 1.00 52.42 O ATOM 0 H SER A 93 0.864 17.423 4.180 1.00 51.02 H new ATOM 0 HA SER A 93 -1.959 16.771 3.831 1.00 70.51 H new ATOM 0 HB2 SER A 93 -0.796 16.707 1.540 1.00 14.03 H new ATOM 0 HB3 SER A 93 0.166 15.384 2.169 1.00 14.03 H new ATOM 0 HG SER A 93 -1.738 14.641 1.073 1.00 52.42 H new ATOM 1381 N GLU A 94 -1.550 14.833 5.320 1.00 1.41 N ATOM 1382 CA GLU A 94 -1.340 13.814 6.312 1.00 34.22 C ATOM 1383 C GLU A 94 -2.228 12.625 6.023 1.00 53.41 C ATOM 1384 O GLU A 94 -3.467 12.737 5.953 1.00 73.03 O ATOM 1385 CB GLU A 94 -1.499 14.374 7.731 1.00 64.21 C ATOM 1386 CG GLU A 94 -2.760 15.178 7.956 1.00 20.51 C ATOM 1387 CD GLU A 94 -2.768 15.839 9.302 1.00 55.44 C ATOM 1388 OE1 GLU A 94 -2.200 16.933 9.442 1.00 41.33 O ATOM 1389 OE2 GLU A 94 -3.367 15.283 10.244 1.00 1.44 O ATOM 0 H GLU A 94 -2.531 15.029 5.120 1.00 1.41 H new ATOM 0 HA GLU A 94 -0.310 13.460 6.258 1.00 34.22 H new ATOM 0 HB2 GLU A 94 -1.482 13.545 8.438 1.00 64.21 H new ATOM 0 HB3 GLU A 94 -0.638 15.003 7.957 1.00 64.21 H new ATOM 0 HG2 GLU A 94 -2.851 15.936 7.178 1.00 20.51 H new ATOM 0 HG3 GLU A 94 -3.628 14.525 7.867 1.00 20.51 H new ATOM 1396 N ILE A 95 -1.600 11.508 5.827 1.00 52.32 N ATOM 1397 CA ILE A 95 -2.266 10.327 5.385 1.00 12.12 C ATOM 1398 C ILE A 95 -2.181 9.231 6.468 1.00 52.23 C ATOM 1399 O ILE A 95 -1.165 9.109 7.176 1.00 22.32 O ATOM 1400 CB ILE A 95 -1.626 9.837 4.029 1.00 43.41 C ATOM 1401 CG1 ILE A 95 -2.477 8.797 3.349 1.00 62.25 C ATOM 1402 CG2 ILE A 95 -0.209 9.327 4.196 1.00 0.01 C ATOM 1403 CD1 ILE A 95 -3.738 9.369 2.790 1.00 51.10 C ATOM 0 H ILE A 95 -0.597 11.391 5.972 1.00 52.32 H new ATOM 0 HA ILE A 95 -3.320 10.546 5.212 1.00 12.12 H new ATOM 0 HB ILE A 95 -1.582 10.719 3.391 1.00 43.41 H new ATOM 0 HG12 ILE A 95 -1.905 8.332 2.546 1.00 62.25 H new ATOM 0 HG13 ILE A 95 -2.723 8.010 4.062 1.00 62.25 H new ATOM 0 HG21 ILE A 95 0.178 9.004 3.229 1.00 0.01 H new ATOM 0 HG22 ILE A 95 0.421 10.124 4.591 1.00 0.01 H new ATOM 0 HG23 ILE A 95 -0.205 8.485 4.888 1.00 0.01 H new ATOM 0 HD11 ILE A 95 -4.315 8.578 2.311 1.00 51.10 H new ATOM 0 HD12 ILE A 95 -4.326 9.810 3.595 1.00 51.10 H new ATOM 0 HD13 ILE A 95 -3.495 10.137 2.056 1.00 51.10 H new ATOM 1415 N ILE A 96 -3.253 8.498 6.639 1.00 74.41 N ATOM 1416 CA ILE A 96 -3.283 7.404 7.585 1.00 64.01 C ATOM 1417 C ILE A 96 -3.339 6.101 6.812 1.00 3.14 C ATOM 1418 O ILE A 96 -4.041 6.005 5.803 1.00 22.02 O ATOM 1419 CB ILE A 96 -4.515 7.494 8.538 1.00 14.04 C ATOM 1420 CG1 ILE A 96 -4.553 8.844 9.274 1.00 32.33 C ATOM 1421 CG2 ILE A 96 -4.526 6.338 9.545 1.00 12.52 C ATOM 1422 CD1 ILE A 96 -3.348 9.123 10.155 1.00 24.22 C ATOM 0 H ILE A 96 -4.126 8.639 6.131 1.00 74.41 H new ATOM 0 HA ILE A 96 -2.385 7.455 8.201 1.00 64.01 H new ATOM 0 HB ILE A 96 -5.409 7.416 7.919 1.00 14.04 H new ATOM 0 HG12 ILE A 96 -4.639 9.642 8.536 1.00 32.33 H new ATOM 0 HG13 ILE A 96 -5.452 8.881 9.889 1.00 32.33 H new ATOM 0 HG21 ILE A 96 -5.397 6.429 10.194 1.00 12.52 H new ATOM 0 HG22 ILE A 96 -4.571 5.390 9.010 1.00 12.52 H new ATOM 0 HG23 ILE A 96 -3.619 6.372 10.148 1.00 12.52 H new ATOM 0 HD11 ILE A 96 -3.464 10.096 10.632 1.00 24.22 H new ATOM 0 HD12 ILE A 96 -3.270 8.351 10.920 1.00 24.22 H new ATOM 0 HD13 ILE A 96 -2.444 9.123 9.546 1.00 24.22 H new ATOM 1434 N VAL A 97 -2.592 5.132 7.254 1.00 60.01 N ATOM 1435 CA VAL A 97 -2.547 3.839 6.613 1.00 75.12 C ATOM 1436 C VAL A 97 -3.410 2.827 7.362 1.00 2.51 C ATOM 1437 O VAL A 97 -3.251 2.630 8.561 1.00 41.31 O ATOM 1438 CB VAL A 97 -1.084 3.334 6.506 1.00 13.43 C ATOM 1439 CG1 VAL A 97 -1.027 1.899 6.022 1.00 0.34 C ATOM 1440 CG2 VAL A 97 -0.314 4.221 5.553 1.00 12.42 C ATOM 0 H VAL A 97 -1.991 5.211 8.074 1.00 60.01 H new ATOM 0 HA VAL A 97 -2.950 3.947 5.606 1.00 75.12 H new ATOM 0 HB VAL A 97 -0.637 3.373 7.499 1.00 13.43 H new ATOM 0 HG11 VAL A 97 0.013 1.577 5.959 1.00 0.34 H new ATOM 0 HG12 VAL A 97 -1.563 1.258 6.721 1.00 0.34 H new ATOM 0 HG13 VAL A 97 -1.489 1.828 5.037 1.00 0.34 H new ATOM 0 HG21 VAL A 97 0.714 3.867 5.477 1.00 12.42 H new ATOM 0 HG22 VAL A 97 -0.782 4.191 4.569 1.00 12.42 H new ATOM 0 HG23 VAL A 97 -0.319 5.245 5.925 1.00 12.42 H new ATOM 1450 N ARG A 98 -4.330 2.222 6.657 1.00 35.15 N ATOM 1451 CA ARG A 98 -5.198 1.208 7.202 1.00 42.01 C ATOM 1452 C ARG A 98 -5.012 -0.065 6.410 1.00 62.35 C ATOM 1453 O ARG A 98 -4.837 -0.027 5.205 1.00 55.21 O ATOM 1454 CB ARG A 98 -6.653 1.663 7.134 1.00 54.35 C ATOM 1455 CG ARG A 98 -6.993 2.865 8.011 1.00 54.40 C ATOM 1456 CD ARG A 98 -7.394 2.491 9.448 1.00 14.03 C ATOM 1457 NE ARG A 98 -6.366 1.801 10.269 1.00 64.00 N ATOM 1458 CZ ARG A 98 -6.168 2.066 11.583 1.00 71.21 C ATOM 1459 NH1 ARG A 98 -6.661 3.179 12.124 1.00 30.43 N ATOM 1460 NH2 ARG A 98 -5.454 1.244 12.345 1.00 3.14 N ATOM 0 H ARG A 98 -4.501 2.423 5.672 1.00 35.15 H new ATOM 0 HA ARG A 98 -4.946 1.033 8.248 1.00 42.01 H new ATOM 0 HB2 ARG A 98 -6.894 1.907 6.099 1.00 54.35 H new ATOM 0 HB3 ARG A 98 -7.293 0.829 7.422 1.00 54.35 H new ATOM 0 HG2 ARG A 98 -6.132 3.533 8.046 1.00 54.40 H new ATOM 0 HG3 ARG A 98 -7.809 3.421 7.549 1.00 54.40 H new ATOM 0 HD2 ARG A 98 -7.689 3.403 9.967 1.00 14.03 H new ATOM 0 HD3 ARG A 98 -8.276 1.852 9.400 1.00 14.03 H new ATOM 0 HE ARG A 98 -5.782 1.094 9.822 1.00 64.00 H new ATOM 0 HH11 ARG A 98 -7.189 3.835 11.549 1.00 30.43 H new ATOM 0 HH12 ARG A 98 -6.510 3.375 13.113 1.00 30.43 H new ATOM 0 HH21 ARG A 98 -5.046 0.400 11.942 1.00 3.14 H new ATOM 0 HH22 ARG A 98 -5.314 1.457 13.333 1.00 3.14 H new ATOM 1474 N MET A 99 -4.993 -1.167 7.079 1.00 20.04 N ATOM 1475 CA MET A 99 -4.829 -2.452 6.440 1.00 73.52 C ATOM 1476 C MET A 99 -5.981 -3.364 6.778 1.00 14.52 C ATOM 1477 O MET A 99 -6.470 -3.376 7.919 1.00 51.12 O ATOM 1478 CB MET A 99 -3.498 -3.096 6.818 1.00 71.01 C ATOM 1479 CG MET A 99 -2.288 -2.331 6.313 1.00 54.01 C ATOM 1480 SD MET A 99 -0.727 -3.106 6.744 1.00 63.03 S ATOM 1481 CE MET A 99 0.410 -2.056 5.846 1.00 33.31 C ATOM 0 H MET A 99 -5.091 -1.215 8.093 1.00 20.04 H new ATOM 0 HA MET A 99 -4.823 -2.290 5.362 1.00 73.52 H new ATOM 0 HB2 MET A 99 -3.439 -3.178 7.903 1.00 71.01 H new ATOM 0 HB3 MET A 99 -3.468 -4.110 6.420 1.00 71.01 H new ATOM 0 HG2 MET A 99 -2.352 -2.238 5.229 1.00 54.01 H new ATOM 0 HG3 MET A 99 -2.309 -1.321 6.722 1.00 54.01 H new ATOM 0 HE1 MET A 99 1.401 -2.510 5.845 1.00 33.31 H new ATOM 0 HE2 MET A 99 0.063 -1.939 4.819 1.00 33.31 H new ATOM 0 HE3 MET A 99 0.459 -1.079 6.326 1.00 33.31 H new ATOM 1491 N HIS A 100 -6.440 -4.076 5.791 1.00 12.23 N ATOM 1492 CA HIS A 100 -7.557 -4.977 5.917 1.00 30.25 C ATOM 1493 C HIS A 100 -7.106 -6.370 5.487 1.00 51.40 C ATOM 1494 O HIS A 100 -6.878 -7.239 6.363 1.00 53.45 O ATOM 1495 CB HIS A 100 -8.739 -4.508 5.030 1.00 73.41 C ATOM 1496 CG HIS A 100 -9.237 -3.106 5.294 1.00 64.34 C ATOM 1497 ND1 HIS A 100 -10.459 -2.811 5.849 1.00 23.45 N ATOM 1498 CD2 HIS A 100 -8.657 -1.905 5.024 1.00 73.21 C ATOM 1499 CE1 HIS A 100 -10.582 -1.481 5.901 1.00 31.23 C ATOM 1500 NE2 HIS A 100 -9.513 -0.883 5.413 1.00 4.25 N ATOM 1501 OXT HIS A 100 -6.908 -6.589 4.271 1.00 37.85 O ATOM 0 H HIS A 100 -6.041 -4.049 4.852 1.00 12.23 H new ATOM 0 HA HIS A 100 -7.896 -4.994 6.953 1.00 30.25 H new ATOM 0 HB2 HIS A 100 -8.435 -4.576 3.985 1.00 73.41 H new ATOM 0 HB3 HIS A 100 -9.569 -5.201 5.166 1.00 73.41 H new ATOM 0 HD2 HIS A 100 -7.683 -1.768 4.577 1.00 73.21 H new ATOM 0 HE1 HIS A 100 -11.445 -0.963 6.292 1.00 31.23 H new ATOM 0 HE2 HIS A 100 -9.349 0.121 5.337 1.00 4.25 H new