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 46 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 49 HIS : no HD1:sc= -2.63 K(o=-1.6,f=-4.4!) USER MOD Set 1.3: A 70 THR OG1 : rot 84:sc= 1.08 USER MOD Set 2.1: A 66 SER OG : rot -37:sc= 1.16 USER MOD Set 2.2: A 78 GLN : amide:sc= -0.19 X(o=0.97,f=1.1) USER MOD Set 3.1: A 10 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 100 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.41) USER MOD Single : A 7 THR OG1 : rot 39:sc= 0.407 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.06 K(o=-1.1,f=-2) 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 0:sc= 0.824 USER MOD Single : A 22 GLN : amide:sc= -0.816 K(o=-0.82,f=-1.7) USER MOD Single : A 27 SER OG : rot 37:sc= 0.135 USER MOD Single : A 28 ASN :FLIP amide:sc= -1.46 F(o=-2.4,f=-1.5) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 37 GLN : amide:sc= -0.0307 K(o=-0.031,f=-0.57) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0.142 X(o=0.14,f=-0.14) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0544 USER MOD Single : A 73 ASN : amide:sc= 0.75 K(o=0.75,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.0142 X(o=-0.014,f=-0.011) USER MOD Single : A 81 GLN : amide:sc= -0.229 K(o=-0.23,f=-1.4) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 93 SER OG : rot -130:sc= -0.0271 USER MOD Single : A 99 MET CE :methyl 143:sc= -0.0812 (180deg=-0.429) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 7 -5.036 -8.349 3.229 1.00 72.43 N ATOM 63 CA THR A 7 -4.555 -7.064 3.606 1.00 61.22 C ATOM 64 C THR A 7 -4.923 -6.004 2.568 1.00 74.42 C ATOM 65 O THR A 7 -4.512 -6.084 1.410 1.00 24.03 O ATOM 66 CB THR A 7 -3.038 -7.164 3.671 1.00 33.00 C ATOM 67 OG1 THR A 7 -2.669 -8.343 4.421 1.00 4.13 O ATOM 68 CG2 THR A 7 -2.421 -5.923 4.294 1.00 44.11 C ATOM 0 HA THR A 7 -4.997 -6.773 4.559 1.00 61.22 H new ATOM 0 HB THR A 7 -2.653 -7.240 2.654 1.00 33.00 H new ATOM 0 HG1 THR A 7 -3.277 -9.078 4.195 1.00 4.13 H new ATOM 0 HG21 THR A 7 -1.337 -6.031 4.323 1.00 44.11 H new ATOM 0 HG22 THR A 7 -2.682 -5.048 3.698 1.00 44.11 H new ATOM 0 HG23 THR A 7 -2.801 -5.798 5.308 1.00 44.11 H new ATOM 76 N SER A 8 -5.707 -5.066 2.968 1.00 42.11 N ATOM 77 CA SER A 8 -6.032 -3.960 2.136 1.00 74.15 C ATOM 78 C SER A 8 -5.475 -2.698 2.796 1.00 45.24 C ATOM 79 O SER A 8 -5.891 -2.327 3.891 1.00 24.42 O ATOM 80 CB SER A 8 -7.543 -3.883 2.000 1.00 11.21 C ATOM 81 OG SER A 8 -8.069 -5.163 1.633 1.00 61.20 O ATOM 0 H SER A 8 -6.145 -5.044 3.889 1.00 42.11 H new ATOM 0 HA SER A 8 -5.601 -4.065 1.141 1.00 74.15 H new ATOM 0 HB2 SER A 8 -7.985 -3.556 2.941 1.00 11.21 H new ATOM 0 HB3 SER A 8 -7.811 -3.141 1.247 1.00 11.21 H new ATOM 0 HG SER A 8 -9.044 -5.104 1.549 1.00 61.20 H new ATOM 87 N VAL A 9 -4.524 -2.068 2.164 1.00 44.24 N ATOM 88 CA VAL A 9 -3.917 -0.885 2.738 1.00 45.42 C ATOM 89 C VAL A 9 -4.671 0.321 2.248 1.00 73.14 C ATOM 90 O VAL A 9 -4.687 0.604 1.058 1.00 20.10 O ATOM 91 CB VAL A 9 -2.420 -0.750 2.377 1.00 32.23 C ATOM 92 CG1 VAL A 9 -1.795 0.413 3.137 1.00 12.23 C ATOM 93 CG2 VAL A 9 -1.676 -2.045 2.662 1.00 24.13 C ATOM 0 H VAL A 9 -4.150 -2.346 1.257 1.00 44.24 H new ATOM 0 HA VAL A 9 -3.972 -0.967 3.824 1.00 45.42 H new ATOM 0 HB VAL A 9 -2.340 -0.546 1.309 1.00 32.23 H new ATOM 0 HG11 VAL A 9 -0.741 0.496 2.873 1.00 12.23 H new ATOM 0 HG12 VAL A 9 -2.309 1.338 2.874 1.00 12.23 H new ATOM 0 HG13 VAL A 9 -1.888 0.239 4.209 1.00 12.23 H new ATOM 0 HG21 VAL A 9 -0.625 -1.926 2.400 1.00 24.13 H new ATOM 0 HG22 VAL A 9 -1.761 -2.288 3.721 1.00 24.13 H new ATOM 0 HG23 VAL A 9 -2.108 -2.851 2.069 1.00 24.13 H new ATOM 103 N THR A 10 -5.285 1.002 3.152 1.00 73.35 N ATOM 104 CA THR A 10 -6.137 2.085 2.849 1.00 21.10 C ATOM 105 C THR A 10 -5.600 3.370 3.474 1.00 11.14 C ATOM 106 O THR A 10 -5.262 3.414 4.665 1.00 72.41 O ATOM 107 CB THR A 10 -7.546 1.777 3.372 1.00 50.23 C ATOM 108 OG1 THR A 10 -7.951 0.487 2.876 1.00 10.55 O ATOM 109 CG2 THR A 10 -8.536 2.812 2.899 1.00 51.30 C ATOM 0 H THR A 10 -5.202 0.810 4.150 1.00 73.35 H new ATOM 0 HA THR A 10 -6.179 2.227 1.769 1.00 21.10 H new ATOM 0 HB THR A 10 -7.525 1.787 4.462 1.00 50.23 H new ATOM 0 HG1 THR A 10 -8.850 0.278 3.205 1.00 10.55 H new ATOM 0 HG21 THR A 10 -9.527 2.570 3.284 1.00 51.30 H new ATOM 0 HG22 THR A 10 -8.236 3.795 3.262 1.00 51.30 H new ATOM 0 HG23 THR A 10 -8.562 2.820 1.809 1.00 51.30 H new ATOM 117 N LEU A 11 -5.474 4.364 2.654 1.00 43.14 N ATOM 118 CA LEU A 11 -5.023 5.664 3.046 1.00 24.31 C ATOM 119 C LEU A 11 -6.223 6.488 3.426 1.00 14.25 C ATOM 120 O LEU A 11 -7.132 6.657 2.621 1.00 11.44 O ATOM 121 CB LEU A 11 -4.311 6.312 1.871 1.00 45.44 C ATOM 122 CG LEU A 11 -3.161 5.518 1.287 1.00 54.24 C ATOM 123 CD1 LEU A 11 -2.603 6.209 0.054 1.00 21.05 C ATOM 124 CD2 LEU A 11 -2.064 5.290 2.319 1.00 21.34 C ATOM 0 H LEU A 11 -5.689 4.292 1.660 1.00 43.14 H new ATOM 0 HA LEU A 11 -4.338 5.594 3.891 1.00 24.31 H new ATOM 0 HB2 LEU A 11 -5.041 6.495 1.082 1.00 45.44 H new ATOM 0 HB3 LEU A 11 -3.934 7.284 2.188 1.00 45.44 H new ATOM 0 HG LEU A 11 -3.547 4.543 0.991 1.00 54.24 H new ATOM 0 HD11 LEU A 11 -1.778 5.622 -0.350 1.00 21.05 H new ATOM 0 HD12 LEU A 11 -3.386 6.299 -0.698 1.00 21.05 H new ATOM 0 HD13 LEU A 11 -2.244 7.202 0.325 1.00 21.05 H new ATOM 0 HD21 LEU A 11 -1.254 4.717 1.868 1.00 21.34 H new ATOM 0 HD22 LEU A 11 -1.682 6.251 2.662 1.00 21.34 H new ATOM 0 HD23 LEU A 11 -2.471 4.738 3.166 1.00 21.34 H new ATOM 136 N GLN A 12 -6.228 6.961 4.627 1.00 3.23 N ATOM 137 CA GLN A 12 -7.346 7.732 5.156 1.00 23.01 C ATOM 138 C GLN A 12 -6.962 9.226 5.198 1.00 32.04 C ATOM 139 O GLN A 12 -6.036 9.629 5.935 1.00 25.11 O ATOM 140 CB GLN A 12 -7.693 7.210 6.572 1.00 75.21 C ATOM 141 CG GLN A 12 -9.118 7.511 7.086 1.00 34.04 C ATOM 142 CD GLN A 12 -9.432 8.984 7.250 1.00 55.15 C ATOM 143 OE1 GLN A 12 -9.921 9.631 6.339 1.00 21.44 O ATOM 144 NE2 GLN A 12 -9.157 9.518 8.406 1.00 22.54 N ATOM 0 H GLN A 12 -5.461 6.833 5.287 1.00 3.23 H new ATOM 0 HA GLN A 12 -8.221 7.619 4.516 1.00 23.01 H new ATOM 0 HB2 GLN A 12 -7.547 6.130 6.583 1.00 75.21 H new ATOM 0 HB3 GLN A 12 -6.979 7.635 7.277 1.00 75.21 H new ATOM 0 HG2 GLN A 12 -9.839 7.074 6.395 1.00 34.04 H new ATOM 0 HG3 GLN A 12 -9.256 7.015 8.047 1.00 34.04 H new ATOM 0 HE21 GLN A 12 -8.748 8.948 9.147 1.00 22.54 H new ATOM 0 HE22 GLN A 12 -9.350 10.506 8.570 1.00 22.54 H new ATOM 153 N LEU A 13 -7.647 10.018 4.399 1.00 42.22 N ATOM 154 CA LEU A 13 -7.447 11.442 4.314 1.00 64.23 C ATOM 155 C LEU A 13 -8.720 12.164 4.725 1.00 52.31 C ATOM 156 O LEU A 13 -9.729 12.153 3.999 1.00 42.40 O ATOM 157 CB LEU A 13 -7.072 11.849 2.884 1.00 51.15 C ATOM 158 CG LEU A 13 -7.005 13.354 2.618 1.00 31.03 C ATOM 159 CD1 LEU A 13 -5.932 14.028 3.461 1.00 64.14 C ATOM 160 CD2 LEU A 13 -6.802 13.638 1.145 1.00 54.34 C ATOM 0 H LEU A 13 -8.378 9.675 3.775 1.00 42.22 H new ATOM 0 HA LEU A 13 -6.633 11.718 4.985 1.00 64.23 H new ATOM 0 HB2 LEU A 13 -6.102 11.413 2.644 1.00 51.15 H new ATOM 0 HB3 LEU A 13 -7.797 11.410 2.199 1.00 51.15 H new ATOM 0 HG LEU A 13 -7.964 13.780 2.914 1.00 31.03 H new ATOM 0 HD11 LEU A 13 -5.916 15.096 3.243 1.00 64.14 H new ATOM 0 HD12 LEU A 13 -6.151 13.876 4.518 1.00 64.14 H new ATOM 0 HD13 LEU A 13 -4.960 13.595 3.226 1.00 64.14 H new ATOM 0 HD21 LEU A 13 -6.758 14.715 0.985 1.00 54.34 H new ATOM 0 HD22 LEU A 13 -5.869 13.183 0.812 1.00 54.34 H new ATOM 0 HD23 LEU A 13 -7.633 13.220 0.576 1.00 54.34 H new ATOM 172 N ASP A 14 -8.688 12.781 5.857 1.00 25.04 N ATOM 173 CA ASP A 14 -9.833 13.488 6.338 1.00 70.22 C ATOM 174 C ASP A 14 -9.686 14.946 6.006 1.00 61.25 C ATOM 175 O ASP A 14 -8.906 15.664 6.641 1.00 71.33 O ATOM 176 CB ASP A 14 -9.998 13.319 7.853 1.00 13.14 C ATOM 177 CG ASP A 14 -11.272 13.953 8.397 1.00 44.33 C ATOM 178 OD1 ASP A 14 -11.432 15.179 8.351 1.00 44.20 O ATOM 179 OD2 ASP A 14 -12.118 13.224 8.920 1.00 1.04 O ATOM 0 H ASP A 14 -7.876 12.812 6.473 1.00 25.04 H new ATOM 0 HA ASP A 14 -10.720 13.078 5.855 1.00 70.22 H new ATOM 0 HB2 ASP A 14 -9.998 12.256 8.095 1.00 13.14 H new ATOM 0 HB3 ASP A 14 -9.138 13.760 8.356 1.00 13.14 H new ATOM 184 N ASP A 15 -10.366 15.376 4.978 1.00 71.22 N ATOM 185 CA ASP A 15 -10.398 16.795 4.657 1.00 51.34 C ATOM 186 C ASP A 15 -11.660 17.398 5.234 1.00 41.04 C ATOM 187 O ASP A 15 -11.939 18.587 5.076 1.00 0.13 O ATOM 188 CB ASP A 15 -10.317 17.063 3.141 1.00 23.34 C ATOM 189 CG ASP A 15 -11.571 16.751 2.343 1.00 42.12 C ATOM 190 OD1 ASP A 15 -11.741 15.604 1.922 1.00 65.33 O ATOM 191 OD2 ASP A 15 -12.393 17.670 2.095 1.00 30.03 O ATOM 0 H ASP A 15 -10.903 14.780 4.349 1.00 71.22 H new ATOM 0 HA ASP A 15 -9.518 17.262 5.099 1.00 51.34 H new ATOM 0 HB2 ASP A 15 -10.066 18.113 2.990 1.00 23.34 H new ATOM 0 HB3 ASP A 15 -9.494 16.477 2.732 1.00 23.34 H new ATOM 196 N GLY A 16 -12.371 16.580 5.964 1.00 74.54 N ATOM 197 CA GLY A 16 -13.622 16.949 6.526 1.00 14.20 C ATOM 198 C GLY A 16 -14.464 15.730 6.766 1.00 63.42 C ATOM 199 O GLY A 16 -15.111 15.601 7.806 1.00 21.35 O ATOM 0 H GLY A 16 -12.084 15.626 6.182 1.00 74.54 H new ATOM 0 HA2 GLY A 16 -13.464 17.481 7.464 1.00 14.20 H new ATOM 0 HA3 GLY A 16 -14.142 17.633 5.855 1.00 14.20 H new ATOM 203 N SER A 17 -14.431 14.808 5.836 1.00 20.52 N ATOM 204 CA SER A 17 -15.261 13.612 5.961 1.00 44.03 C ATOM 205 C SER A 17 -14.439 12.336 6.188 1.00 60.04 C ATOM 206 O SER A 17 -14.713 11.569 7.118 1.00 20.41 O ATOM 207 CB SER A 17 -16.170 13.469 4.743 1.00 21.04 C ATOM 208 OG SER A 17 -16.948 14.646 4.559 1.00 55.15 O ATOM 0 H SER A 17 -13.854 14.850 4.996 1.00 20.52 H new ATOM 0 HA SER A 17 -15.876 13.741 6.851 1.00 44.03 H new ATOM 0 HB2 SER A 17 -15.569 13.281 3.854 1.00 21.04 H new ATOM 0 HB3 SER A 17 -16.827 12.609 4.871 1.00 21.04 H new ATOM 0 HG SER A 17 -17.524 14.538 3.773 1.00 55.15 H new ATOM 214 N GLY A 18 -13.453 12.109 5.359 1.00 63.31 N ATOM 215 CA GLY A 18 -12.649 10.927 5.484 1.00 64.11 C ATOM 216 C GLY A 18 -12.636 10.115 4.211 1.00 63.55 C ATOM 217 O GLY A 18 -13.409 9.155 4.062 1.00 15.55 O ATOM 0 H GLY A 18 -13.190 12.728 4.592 1.00 63.31 H new ATOM 0 HA2 GLY A 18 -11.629 11.208 5.745 1.00 64.11 H new ATOM 0 HA3 GLY A 18 -13.030 10.314 6.301 1.00 64.11 H new ATOM 221 N ARG A 19 -11.795 10.504 3.284 1.00 64.21 N ATOM 222 CA ARG A 19 -11.647 9.796 2.033 1.00 23.13 C ATOM 223 C ARG A 19 -10.613 8.733 2.165 1.00 61.44 C ATOM 224 O ARG A 19 -9.670 8.871 2.934 1.00 15.14 O ATOM 225 CB ARG A 19 -11.282 10.713 0.882 1.00 20.20 C ATOM 226 CG ARG A 19 -12.435 11.509 0.306 1.00 12.32 C ATOM 227 CD ARG A 19 -13.516 10.582 -0.236 1.00 22.34 C ATOM 228 NE ARG A 19 -14.528 11.290 -1.020 1.00 32.44 N ATOM 229 CZ ARG A 19 -15.801 10.906 -1.161 1.00 63.42 C ATOM 230 NH1 ARG A 19 -16.283 9.889 -0.444 1.00 41.55 N ATOM 231 NH2 ARG A 19 -16.594 11.555 -2.002 1.00 51.54 N ATOM 0 H ARG A 19 -11.192 11.322 3.375 1.00 64.21 H new ATOM 0 HA ARG A 19 -12.617 9.353 1.806 1.00 23.13 H new ATOM 0 HB2 ARG A 19 -10.514 11.408 1.221 1.00 20.20 H new ATOM 0 HB3 ARG A 19 -10.841 10.114 0.086 1.00 20.20 H new ATOM 0 HG2 ARG A 19 -12.857 12.156 1.076 1.00 12.32 H new ATOM 0 HG3 ARG A 19 -12.072 12.157 -0.492 1.00 12.32 H new ATOM 0 HD2 ARG A 19 -13.053 9.815 -0.857 1.00 22.34 H new ATOM 0 HD3 ARG A 19 -14.000 10.070 0.596 1.00 22.34 H new ATOM 0 HE ARG A 19 -14.240 12.144 -1.497 1.00 32.44 H new ATOM 0 HH11 ARG A 19 -15.679 9.399 0.217 1.00 41.55 H new ATOM 0 HH12 ARG A 19 -17.255 9.601 -0.556 1.00 41.55 H new ATOM 0 HH21 ARG A 19 -16.232 12.344 -2.538 1.00 51.54 H new ATOM 0 HH22 ARG A 19 -17.566 11.266 -2.113 1.00 51.54 H new ATOM 245 N THR A 20 -10.770 7.693 1.421 1.00 0.41 N ATOM 246 CA THR A 20 -9.905 6.578 1.515 1.00 24.52 C ATOM 247 C THR A 20 -9.462 6.107 0.131 1.00 4.10 C ATOM 248 O THR A 20 -10.204 6.242 -0.848 1.00 41.50 O ATOM 249 CB THR A 20 -10.615 5.446 2.282 1.00 3.21 C ATOM 250 OG1 THR A 20 -11.927 5.226 1.722 1.00 52.24 O ATOM 251 CG2 THR A 20 -10.748 5.790 3.761 1.00 61.33 C ATOM 0 H THR A 20 -11.510 7.596 0.726 1.00 0.41 H new ATOM 0 HA THR A 20 -9.007 6.870 2.060 1.00 24.52 H new ATOM 0 HB THR A 20 -10.015 4.541 2.187 1.00 3.21 H new ATOM 0 HG1 THR A 20 -12.375 4.504 2.211 1.00 52.24 H new ATOM 0 HG21 THR A 20 -11.252 4.975 4.280 1.00 61.33 H new ATOM 0 HG22 THR A 20 -9.757 5.936 4.191 1.00 61.33 H new ATOM 0 HG23 THR A 20 -11.330 6.705 3.871 1.00 61.33 H new ATOM 259 N TYR A 21 -8.240 5.625 0.043 1.00 61.04 N ATOM 260 CA TYR A 21 -7.710 5.060 -1.187 1.00 63.12 C ATOM 261 C TYR A 21 -6.932 3.807 -0.846 1.00 65.44 C ATOM 262 O TYR A 21 -6.091 3.836 0.043 1.00 55.01 O ATOM 263 CB TYR A 21 -6.793 6.071 -1.921 1.00 24.04 C ATOM 264 CG TYR A 21 -6.183 5.520 -3.205 1.00 14.14 C ATOM 265 CD1 TYR A 21 -6.914 5.486 -4.386 1.00 14.40 C ATOM 266 CD2 TYR A 21 -4.885 5.008 -3.226 1.00 44.02 C ATOM 267 CE1 TYR A 21 -6.380 4.954 -5.544 1.00 54.15 C ATOM 268 CE2 TYR A 21 -4.343 4.482 -4.384 1.00 24.23 C ATOM 269 CZ TYR A 21 -5.095 4.458 -5.539 1.00 34.22 C ATOM 270 OH TYR A 21 -4.572 3.892 -6.685 1.00 42.13 O ATOM 0 H TYR A 21 -7.582 5.612 0.822 1.00 61.04 H new ATOM 0 HA TYR A 21 -8.538 4.822 -1.855 1.00 63.12 H new ATOM 0 HB2 TYR A 21 -7.369 6.966 -2.157 1.00 24.04 H new ATOM 0 HB3 TYR A 21 -5.991 6.376 -1.249 1.00 24.04 H new ATOM 0 HD1 TYR A 21 -7.918 5.883 -4.399 1.00 14.40 H new ATOM 0 HD2 TYR A 21 -4.294 5.023 -2.322 1.00 44.02 H new ATOM 0 HE1 TYR A 21 -6.968 4.927 -6.450 1.00 54.15 H new ATOM 0 HE2 TYR A 21 -3.336 4.092 -4.384 1.00 24.23 H new ATOM 0 HH TYR A 21 -5.241 3.923 -7.400 1.00 42.13 H new ATOM 280 N GLN A 22 -7.208 2.724 -1.521 1.00 14.44 N ATOM 281 CA GLN A 22 -6.504 1.491 -1.259 1.00 14.11 C ATOM 282 C GLN A 22 -5.303 1.393 -2.188 1.00 32.55 C ATOM 283 O GLN A 22 -5.411 1.707 -3.372 1.00 5.23 O ATOM 284 CB GLN A 22 -7.446 0.291 -1.424 1.00 4.52 C ATOM 285 CG GLN A 22 -6.820 -1.061 -1.096 1.00 13.14 C ATOM 286 CD GLN A 22 -7.828 -2.190 -1.150 1.00 44.10 C ATOM 287 OE1 GLN A 22 -9.008 -1.999 -0.883 1.00 53.25 O ATOM 288 NE2 GLN A 22 -7.391 -3.361 -1.518 1.00 2.51 N ATOM 0 H GLN A 22 -7.913 2.667 -2.256 1.00 14.44 H new ATOM 0 HA GLN A 22 -6.147 1.482 -0.229 1.00 14.11 H new ATOM 0 HB2 GLN A 22 -8.316 0.438 -0.784 1.00 4.52 H new ATOM 0 HB3 GLN A 22 -7.807 0.269 -2.452 1.00 4.52 H new ATOM 0 HG2 GLN A 22 -6.012 -1.265 -1.799 1.00 13.14 H new ATOM 0 HG3 GLN A 22 -6.375 -1.021 -0.102 1.00 13.14 H new ATOM 0 HE21 GLN A 22 -6.403 -3.492 -1.734 1.00 2.51 H new ATOM 0 HE22 GLN A 22 -8.037 -4.147 -1.590 1.00 2.51 H new ATOM 297 N LEU A 23 -4.163 1.011 -1.648 1.00 64.20 N ATOM 298 CA LEU A 23 -2.940 0.888 -2.431 1.00 61.43 C ATOM 299 C LEU A 23 -3.084 -0.121 -3.553 1.00 61.04 C ATOM 300 O LEU A 23 -3.691 -1.185 -3.389 1.00 52.43 O ATOM 301 CB LEU A 23 -1.732 0.538 -1.563 1.00 72.25 C ATOM 302 CG LEU A 23 -1.250 1.613 -0.585 1.00 13.31 C ATOM 303 CD1 LEU A 23 -0.034 1.116 0.168 1.00 50.32 C ATOM 304 CD2 LEU A 23 -0.915 2.909 -1.317 1.00 32.52 C ATOM 0 H LEU A 23 -4.054 0.777 -0.661 1.00 64.20 H new ATOM 0 HA LEU A 23 -2.766 1.869 -2.873 1.00 61.43 H new ATOM 0 HB2 LEU A 23 -1.973 -0.358 -0.991 1.00 72.25 H new ATOM 0 HB3 LEU A 23 -0.903 0.282 -2.222 1.00 72.25 H new ATOM 0 HG LEU A 23 -2.055 1.819 0.121 1.00 13.31 H new ATOM 0 HD11 LEU A 23 0.304 1.886 0.862 1.00 50.32 H new ATOM 0 HD12 LEU A 23 -0.293 0.215 0.724 1.00 50.32 H new ATOM 0 HD13 LEU A 23 0.764 0.889 -0.539 1.00 50.32 H new ATOM 0 HD21 LEU A 23 -0.575 3.655 -0.599 1.00 32.52 H new ATOM 0 HD22 LEU A 23 -0.127 2.722 -2.046 1.00 32.52 H new ATOM 0 HD23 LEU A 23 -1.803 3.277 -1.830 1.00 32.52 H new ATOM 316 N ARG A 24 -2.528 0.219 -4.681 1.00 64.43 N ATOM 317 CA ARG A 24 -2.602 -0.618 -5.842 1.00 2.32 C ATOM 318 C ARG A 24 -1.352 -1.472 -5.939 1.00 22.43 C ATOM 319 O ARG A 24 -0.399 -1.266 -5.200 1.00 54.53 O ATOM 320 CB ARG A 24 -2.839 0.228 -7.113 1.00 21.43 C ATOM 321 CG ARG A 24 -1.792 1.307 -7.391 1.00 11.54 C ATOM 322 CD ARG A 24 -2.234 2.195 -8.546 1.00 62.11 C ATOM 323 NE ARG A 24 -1.280 3.281 -8.845 1.00 24.44 N ATOM 324 CZ ARG A 24 -1.595 4.598 -8.902 1.00 71.42 C ATOM 325 NH1 ARG A 24 -2.758 5.045 -8.428 1.00 30.10 N ATOM 326 NH2 ARG A 24 -0.724 5.466 -9.386 1.00 1.21 N ATOM 0 H ARG A 24 -2.010 1.086 -4.821 1.00 64.43 H new ATOM 0 HA ARG A 24 -3.455 -1.290 -5.752 1.00 2.32 H new ATOM 0 HB2 ARG A 24 -2.881 -0.442 -7.972 1.00 21.43 H new ATOM 0 HB3 ARG A 24 -3.815 0.706 -7.033 1.00 21.43 H new ATOM 0 HG2 ARG A 24 -1.639 1.912 -6.497 1.00 11.54 H new ATOM 0 HG3 ARG A 24 -0.836 0.841 -7.628 1.00 11.54 H new ATOM 0 HD2 ARG A 24 -2.366 1.581 -9.437 1.00 62.11 H new ATOM 0 HD3 ARG A 24 -3.206 2.629 -8.311 1.00 62.11 H new ATOM 0 HE ARG A 24 -0.310 3.020 -9.022 1.00 24.44 H new ATOM 0 HH11 ARG A 24 -3.425 4.393 -8.015 1.00 30.10 H new ATOM 0 HH12 ARG A 24 -2.981 6.039 -8.478 1.00 30.10 H new ATOM 0 HH21 ARG A 24 0.186 5.145 -9.717 1.00 1.21 H new ATOM 0 HH22 ARG A 24 -0.962 6.457 -9.429 1.00 1.21 H new ATOM 340 N GLU A 25 -1.375 -2.412 -6.812 1.00 65.41 N ATOM 341 CA GLU A 25 -0.279 -3.321 -7.032 1.00 4.13 C ATOM 342 C GLU A 25 0.851 -2.632 -7.793 1.00 2.23 C ATOM 343 O GLU A 25 0.646 -2.114 -8.897 1.00 64.24 O ATOM 344 CB GLU A 25 -0.747 -4.615 -7.763 1.00 33.23 C ATOM 345 CG GLU A 25 -1.664 -4.418 -8.985 1.00 60.32 C ATOM 346 CD GLU A 25 -3.073 -4.011 -8.604 1.00 13.50 C ATOM 347 OE1 GLU A 25 -3.892 -4.885 -8.293 1.00 73.24 O ATOM 348 OE2 GLU A 25 -3.372 -2.806 -8.549 1.00 0.03 O ATOM 0 H GLU A 25 -2.176 -2.586 -7.419 1.00 65.41 H new ATOM 0 HA GLU A 25 0.105 -3.622 -6.057 1.00 4.13 H new ATOM 0 HB2 GLU A 25 0.138 -5.164 -8.085 1.00 33.23 H new ATOM 0 HB3 GLU A 25 -1.269 -5.245 -7.042 1.00 33.23 H new ATOM 0 HG2 GLU A 25 -1.235 -3.657 -9.636 1.00 60.32 H new ATOM 0 HG3 GLU A 25 -1.701 -5.344 -9.558 1.00 60.32 H new ATOM 355 N GLY A 26 2.022 -2.623 -7.214 1.00 1.42 N ATOM 356 CA GLY A 26 3.142 -1.947 -7.817 1.00 12.45 C ATOM 357 C GLY A 26 3.542 -0.758 -6.994 1.00 44.43 C ATOM 358 O GLY A 26 3.144 -0.640 -5.825 1.00 75.31 O ATOM 0 H GLY A 26 2.226 -3.077 -6.324 1.00 1.42 H new ATOM 0 HA2 GLY A 26 3.983 -2.634 -7.907 1.00 12.45 H new ATOM 0 HA3 GLY A 26 2.881 -1.627 -8.826 1.00 12.45 H new ATOM 362 N SER A 27 4.319 0.105 -7.549 1.00 34.22 N ATOM 363 CA SER A 27 4.728 1.272 -6.849 1.00 12.41 C ATOM 364 C SER A 27 4.044 2.510 -7.390 1.00 14.20 C ATOM 365 O SER A 27 3.802 2.628 -8.592 1.00 1.11 O ATOM 366 CB SER A 27 6.241 1.405 -6.859 1.00 44.34 C ATOM 367 OG SER A 27 6.680 2.598 -6.226 1.00 54.12 O ATOM 0 H SER A 27 4.688 0.023 -8.497 1.00 34.22 H new ATOM 0 HA SER A 27 4.417 1.170 -5.809 1.00 12.41 H new ATOM 0 HB2 SER A 27 6.683 0.545 -6.355 1.00 44.34 H new ATOM 0 HB3 SER A 27 6.598 1.390 -7.889 1.00 44.34 H new ATOM 0 HG SER A 27 6.109 2.787 -5.452 1.00 54.12 H new ATOM 373 N ASN A 28 3.713 3.408 -6.503 1.00 54.10 N ATOM 374 CA ASN A 28 3.114 4.656 -6.862 1.00 22.34 C ATOM 375 C ASN A 28 4.017 5.786 -6.448 1.00 54.05 C ATOM 376 O ASN A 28 4.371 5.931 -5.280 1.00 23.35 O ATOM 377 CB ASN A 28 1.683 4.814 -6.294 1.00 31.25 C ATOM 378 CG ASN A 28 1.578 4.757 -4.775 1.00 32.14 C ATOM 379 OD1 ASN A 28 1.463 3.570 -4.235 1.00 74.35 O flip ATOM 380 ND2 ASN A 28 1.615 5.770 -4.100 1.00 3.24 N flip ATOM 0 H ASN A 28 3.855 3.289 -5.500 1.00 54.10 H new ATOM 0 HA ASN A 28 2.999 4.680 -7.946 1.00 22.34 H new ATOM 0 HB2 ASN A 28 1.277 5.767 -6.635 1.00 31.25 H new ATOM 0 HB3 ASN A 28 1.053 4.030 -6.715 1.00 31.25 H new ATOM 0 HD21 ASN A 28 1.705 6.680 -4.551 1.00 3.24 H new ATOM 0 HD22 ASN A 28 1.556 5.708 -3.084 1.00 3.24 H new ATOM 387 N ILE A 29 4.459 6.519 -7.422 1.00 42.43 N ATOM 388 CA ILE A 29 5.318 7.650 -7.204 1.00 50.12 C ATOM 389 C ILE A 29 4.461 8.882 -7.055 1.00 2.13 C ATOM 390 O ILE A 29 3.794 9.292 -8.004 1.00 13.02 O ATOM 391 CB ILE A 29 6.301 7.829 -8.384 1.00 2.42 C ATOM 392 CG1 ILE A 29 7.158 6.564 -8.539 1.00 44.32 C ATOM 393 CG2 ILE A 29 7.180 9.065 -8.188 1.00 1.12 C ATOM 394 CD1 ILE A 29 8.086 6.594 -9.725 1.00 0.43 C ATOM 0 H ILE A 29 4.234 6.351 -8.402 1.00 42.43 H new ATOM 0 HA ILE A 29 5.905 7.489 -6.300 1.00 50.12 H new ATOM 0 HB ILE A 29 5.726 7.981 -9.298 1.00 2.42 H new ATOM 0 HG12 ILE A 29 7.747 6.424 -7.633 1.00 44.32 H new ATOM 0 HG13 ILE A 29 6.499 5.700 -8.628 1.00 44.32 H new ATOM 0 HG21 ILE A 29 7.861 9.165 -9.033 1.00 1.12 H new ATOM 0 HG22 ILE A 29 6.551 9.952 -8.122 1.00 1.12 H new ATOM 0 HG23 ILE A 29 7.756 8.960 -7.269 1.00 1.12 H new ATOM 0 HD11 ILE A 29 8.656 5.666 -9.765 1.00 0.43 H new ATOM 0 HD12 ILE A 29 7.504 6.702 -10.640 1.00 0.43 H new ATOM 0 HD13 ILE A 29 8.771 7.436 -9.630 1.00 0.43 H new ATOM 406 N ILE A 30 4.452 9.422 -5.880 1.00 72.25 N ATOM 407 CA ILE A 30 3.666 10.574 -5.552 1.00 32.24 C ATOM 408 C ILE A 30 4.469 11.843 -5.808 1.00 61.31 C ATOM 409 O ILE A 30 5.631 11.964 -5.372 1.00 43.23 O ATOM 410 CB ILE A 30 3.190 10.533 -4.065 1.00 10.41 C ATOM 411 CG1 ILE A 30 2.359 9.264 -3.795 1.00 20.50 C ATOM 412 CG2 ILE A 30 2.409 11.794 -3.702 1.00 50.11 C ATOM 413 CD1 ILE A 30 1.911 9.100 -2.355 1.00 4.14 C ATOM 0 H ILE A 30 5.004 9.067 -5.099 1.00 72.25 H new ATOM 0 HA ILE A 30 2.781 10.571 -6.189 1.00 32.24 H new ATOM 0 HB ILE A 30 4.073 10.499 -3.427 1.00 10.41 H new ATOM 0 HG12 ILE A 30 1.478 9.278 -4.437 1.00 20.50 H new ATOM 0 HG13 ILE A 30 2.947 8.392 -4.081 1.00 20.50 H new ATOM 0 HG21 ILE A 30 2.090 11.738 -2.661 1.00 50.11 H new ATOM 0 HG22 ILE A 30 3.045 12.668 -3.840 1.00 50.11 H new ATOM 0 HG23 ILE A 30 1.533 11.877 -4.346 1.00 50.11 H new ATOM 0 HD11 ILE A 30 1.333 8.181 -2.256 1.00 4.14 H new ATOM 0 HD12 ILE A 30 2.785 9.050 -1.705 1.00 4.14 H new ATOM 0 HD13 ILE A 30 1.293 9.950 -2.067 1.00 4.14 H new ATOM 425 N GLY A 31 3.881 12.740 -6.549 1.00 3.04 N ATOM 426 CA GLY A 31 4.470 14.010 -6.812 1.00 74.00 C ATOM 427 C GLY A 31 3.808 14.664 -7.970 1.00 35.42 C ATOM 428 O GLY A 31 2.918 14.077 -8.579 1.00 12.11 O ATOM 0 H GLY A 31 2.971 12.603 -6.989 1.00 3.04 H new ATOM 0 HA2 GLY A 31 4.385 14.646 -5.931 1.00 74.00 H new ATOM 0 HA3 GLY A 31 5.534 13.888 -7.016 1.00 74.00 H new ATOM 432 N ARG A 32 4.178 15.875 -8.266 1.00 43.12 N ATOM 433 CA ARG A 32 3.622 16.530 -9.410 1.00 40.24 C ATOM 434 C ARG A 32 4.681 16.642 -10.465 1.00 63.11 C ATOM 435 O ARG A 32 5.635 17.422 -10.342 1.00 74.42 O ATOM 436 CB ARG A 32 3.033 17.907 -9.086 1.00 70.53 C ATOM 437 CG ARG A 32 1.897 17.887 -8.077 1.00 21.42 C ATOM 438 CD ARG A 32 1.135 19.216 -8.067 1.00 14.52 C ATOM 439 NE ARG A 32 1.993 20.367 -7.740 1.00 54.32 N ATOM 440 CZ ARG A 32 1.831 21.622 -8.207 1.00 15.03 C ATOM 441 NH1 ARG A 32 0.856 21.908 -9.068 1.00 34.11 N ATOM 442 NH2 ARG A 32 2.668 22.579 -7.823 1.00 22.21 N ATOM 0 H ARG A 32 4.856 16.424 -7.737 1.00 43.12 H new ATOM 0 HA ARG A 32 2.789 15.926 -9.770 1.00 40.24 H new ATOM 0 HB2 ARG A 32 3.829 18.548 -8.705 1.00 70.53 H new ATOM 0 HB3 ARG A 32 2.673 18.360 -10.010 1.00 70.53 H new ATOM 0 HG2 ARG A 32 1.211 17.074 -8.315 1.00 21.42 H new ATOM 0 HG3 ARG A 32 2.295 17.687 -7.082 1.00 21.42 H new ATOM 0 HD2 ARG A 32 0.680 19.375 -9.044 1.00 14.52 H new ATOM 0 HD3 ARG A 32 0.323 19.158 -7.343 1.00 14.52 H new ATOM 0 HE ARG A 32 2.776 20.201 -7.107 1.00 54.32 H new ATOM 0 HH11 ARG A 32 0.221 21.174 -9.382 1.00 34.11 H new ATOM 0 HH12 ARG A 32 0.744 22.861 -9.414 1.00 34.11 H new ATOM 0 HH21 ARG A 32 3.428 22.363 -7.178 1.00 22.21 H new ATOM 0 HH22 ARG A 32 2.550 23.530 -8.173 1.00 22.21 H new ATOM 456 N GLY A 33 4.543 15.850 -11.468 1.00 13.12 N ATOM 457 CA GLY A 33 5.465 15.843 -12.533 1.00 31.32 C ATOM 458 C GLY A 33 5.091 14.785 -13.502 1.00 44.43 C ATOM 459 O GLY A 33 4.202 13.989 -13.220 1.00 3.14 O ATOM 0 H GLY A 33 3.777 15.184 -11.568 1.00 13.12 H new ATOM 0 HA2 GLY A 33 5.476 16.815 -13.026 1.00 31.32 H new ATOM 0 HA3 GLY A 33 6.472 15.666 -12.155 1.00 31.32 H new ATOM 463 N GLN A 34 5.770 14.742 -14.614 1.00 52.55 N ATOM 464 CA GLN A 34 5.481 13.764 -15.650 1.00 0.44 C ATOM 465 C GLN A 34 6.138 12.430 -15.321 1.00 10.53 C ATOM 466 O GLN A 34 5.787 11.398 -15.876 1.00 64.44 O ATOM 467 CB GLN A 34 5.969 14.268 -17.008 1.00 13.05 C ATOM 468 CG GLN A 34 5.296 15.551 -17.475 1.00 52.04 C ATOM 469 CD GLN A 34 5.846 16.044 -18.797 1.00 2.21 C ATOM 470 OE1 GLN A 34 6.292 15.257 -19.635 1.00 40.24 O ATOM 471 NE2 GLN A 34 5.822 17.328 -19.006 1.00 22.31 N ATOM 0 H GLN A 34 6.537 15.376 -14.837 1.00 52.55 H new ATOM 0 HA GLN A 34 4.402 13.620 -15.696 1.00 0.44 H new ATOM 0 HB2 GLN A 34 7.045 14.433 -16.956 1.00 13.05 H new ATOM 0 HB3 GLN A 34 5.801 13.491 -17.753 1.00 13.05 H new ATOM 0 HG2 GLN A 34 4.224 15.381 -17.572 1.00 52.04 H new ATOM 0 HG3 GLN A 34 5.429 16.324 -16.718 1.00 52.04 H new ATOM 0 HE21 GLN A 34 5.447 17.954 -18.293 1.00 22.31 H new ATOM 0 HE22 GLN A 34 6.178 17.709 -19.883 1.00 22.31 H new ATOM 480 N ASP A 35 7.088 12.467 -14.407 1.00 64.12 N ATOM 481 CA ASP A 35 7.825 11.271 -13.994 1.00 11.42 C ATOM 482 C ASP A 35 7.165 10.659 -12.744 1.00 53.32 C ATOM 483 O ASP A 35 7.661 9.706 -12.144 1.00 24.13 O ATOM 484 CB ASP A 35 9.295 11.654 -13.722 1.00 22.11 C ATOM 485 CG ASP A 35 10.232 10.468 -13.613 1.00 1.24 C ATOM 486 OD1 ASP A 35 10.467 9.785 -14.648 1.00 23.13 O ATOM 487 OD2 ASP A 35 10.783 10.210 -12.526 1.00 32.20 O ATOM 0 H ASP A 35 7.376 13.320 -13.927 1.00 64.12 H new ATOM 0 HA ASP A 35 7.802 10.522 -14.786 1.00 11.42 H new ATOM 0 HB2 ASP A 35 9.644 12.307 -14.522 1.00 22.11 H new ATOM 0 HB3 ASP A 35 9.345 12.229 -12.797 1.00 22.11 H new ATOM 492 N ALA A 36 6.033 11.223 -12.377 1.00 24.32 N ATOM 493 CA ALA A 36 5.272 10.776 -11.234 1.00 64.15 C ATOM 494 C ALA A 36 4.062 9.975 -11.693 1.00 14.34 C ATOM 495 O ALA A 36 3.640 10.069 -12.858 1.00 65.33 O ATOM 496 CB ALA A 36 4.826 11.963 -10.405 1.00 31.31 C ATOM 0 H ALA A 36 5.613 12.011 -12.870 1.00 24.32 H new ATOM 0 HA ALA A 36 5.906 10.137 -10.619 1.00 64.15 H new ATOM 0 HB1 ALA A 36 4.253 11.613 -9.546 1.00 31.31 H new ATOM 0 HB2 ALA A 36 5.700 12.513 -10.058 1.00 31.31 H new ATOM 0 HB3 ALA A 36 4.203 12.618 -11.014 1.00 31.31 H new ATOM 502 N GLN A 37 3.502 9.201 -10.788 1.00 65.31 N ATOM 503 CA GLN A 37 2.369 8.369 -11.080 1.00 10.11 C ATOM 504 C GLN A 37 1.133 8.926 -10.384 1.00 3.12 C ATOM 505 O GLN A 37 0.089 9.123 -10.993 1.00 75.40 O ATOM 506 CB GLN A 37 2.634 6.952 -10.581 1.00 72.23 C ATOM 507 CG GLN A 37 3.899 6.302 -11.137 1.00 51.35 C ATOM 508 CD GLN A 37 3.946 6.283 -12.651 1.00 70.33 C ATOM 509 OE1 GLN A 37 2.925 6.226 -13.323 1.00 3.51 O ATOM 510 NE2 GLN A 37 5.125 6.343 -13.191 1.00 60.01 N ATOM 0 H GLN A 37 3.827 9.136 -9.824 1.00 65.31 H new ATOM 0 HA GLN A 37 2.203 8.351 -12.157 1.00 10.11 H new ATOM 0 HB2 GLN A 37 2.701 6.972 -9.493 1.00 72.23 H new ATOM 0 HB3 GLN A 37 1.779 6.326 -10.836 1.00 72.23 H new ATOM 0 HG2 GLN A 37 4.770 6.837 -10.760 1.00 51.35 H new ATOM 0 HG3 GLN A 37 3.968 5.280 -10.765 1.00 51.35 H new ATOM 0 HE21 GLN A 37 5.955 6.390 -12.600 1.00 60.01 H new ATOM 0 HE22 GLN A 37 5.221 6.344 -14.206 1.00 60.01 H new ATOM 519 N PHE A 38 1.274 9.187 -9.114 1.00 14.44 N ATOM 520 CA PHE A 38 0.211 9.707 -8.298 1.00 24.04 C ATOM 521 C PHE A 38 0.525 11.161 -8.028 1.00 73.43 C ATOM 522 O PHE A 38 1.590 11.481 -7.528 1.00 5.10 O ATOM 523 CB PHE A 38 0.126 8.904 -6.988 1.00 3.21 C ATOM 524 CG PHE A 38 -0.976 9.314 -6.034 1.00 75.55 C ATOM 525 CD1 PHE A 38 -0.774 10.329 -5.115 1.00 45.04 C ATOM 526 CD2 PHE A 38 -2.199 8.666 -6.039 1.00 0.34 C ATOM 527 CE1 PHE A 38 -1.747 10.690 -4.228 1.00 22.34 C ATOM 528 CE2 PHE A 38 -3.190 9.023 -5.143 1.00 12.02 C ATOM 529 CZ PHE A 38 -2.963 10.038 -4.234 1.00 33.53 C ATOM 0 H PHE A 38 2.147 9.042 -8.607 1.00 14.44 H new ATOM 0 HA PHE A 38 -0.754 9.622 -8.798 1.00 24.04 H new ATOM 0 HB2 PHE A 38 -0.008 7.851 -7.237 1.00 3.21 H new ATOM 0 HB3 PHE A 38 1.081 8.990 -6.469 1.00 3.21 H new ATOM 0 HD1 PHE A 38 0.174 10.847 -5.099 1.00 45.04 H new ATOM 0 HD2 PHE A 38 -2.381 7.874 -6.750 1.00 0.34 H new ATOM 0 HE1 PHE A 38 -1.565 11.486 -3.521 1.00 22.34 H new ATOM 0 HE2 PHE A 38 -4.140 8.509 -5.154 1.00 12.02 H new ATOM 0 HZ PHE A 38 -3.733 10.320 -3.532 1.00 33.53 H new ATOM 539 N ARG A 39 -0.368 12.023 -8.363 1.00 33.14 N ATOM 540 CA ARG A 39 -0.111 13.423 -8.256 1.00 75.30 C ATOM 541 C ARG A 39 -0.955 14.036 -7.165 1.00 51.33 C ATOM 542 O ARG A 39 -2.157 13.756 -7.067 1.00 45.13 O ATOM 543 CB ARG A 39 -0.391 14.083 -9.602 1.00 71.41 C ATOM 544 CG ARG A 39 0.344 13.402 -10.748 1.00 42.33 C ATOM 545 CD ARG A 39 0.084 14.068 -12.073 1.00 25.33 C ATOM 546 NE ARG A 39 0.635 13.284 -13.184 1.00 2.32 N ATOM 547 CZ ARG A 39 1.220 13.788 -14.276 1.00 22.51 C ATOM 548 NH1 ARG A 39 1.406 15.100 -14.393 1.00 22.41 N ATOM 549 NH2 ARG A 39 1.639 12.979 -15.230 1.00 61.40 N ATOM 0 H ARG A 39 -1.294 11.784 -8.718 1.00 33.14 H new ATOM 0 HA ARG A 39 0.934 13.584 -7.990 1.00 75.30 H new ATOM 0 HB2 ARG A 39 -1.463 14.061 -9.798 1.00 71.41 H new ATOM 0 HB3 ARG A 39 -0.096 15.131 -9.557 1.00 71.41 H new ATOM 0 HG2 ARG A 39 1.415 13.409 -10.545 1.00 42.33 H new ATOM 0 HG3 ARG A 39 0.037 12.357 -10.803 1.00 42.33 H new ATOM 0 HD2 ARG A 39 -0.989 14.196 -12.213 1.00 25.33 H new ATOM 0 HD3 ARG A 39 0.526 15.064 -12.074 1.00 25.33 H new ATOM 0 HE ARG A 39 0.566 12.268 -13.118 1.00 2.32 H new ATOM 0 HH11 ARG A 39 1.102 15.727 -13.648 1.00 22.41 H new ATOM 0 HH12 ARG A 39 1.853 15.479 -15.228 1.00 22.41 H new ATOM 0 HH21 ARG A 39 1.517 11.971 -15.134 1.00 61.40 H new ATOM 0 HH22 ARG A 39 2.085 13.362 -16.064 1.00 61.40 H new ATOM 563 N LEU A 40 -0.327 14.840 -6.331 1.00 52.25 N ATOM 564 CA LEU A 40 -1.030 15.522 -5.267 1.00 72.11 C ATOM 565 C LEU A 40 -1.753 16.741 -5.805 1.00 74.31 C ATOM 566 O LEU A 40 -1.312 17.352 -6.786 1.00 33.13 O ATOM 567 CB LEU A 40 -0.091 15.917 -4.107 1.00 32.24 C ATOM 568 CG LEU A 40 0.454 14.774 -3.244 1.00 45.21 C ATOM 569 CD1 LEU A 40 1.327 15.326 -2.135 1.00 53.12 C ATOM 570 CD2 LEU A 40 -0.682 13.954 -2.647 1.00 53.11 C ATOM 0 H LEU A 40 0.673 15.037 -6.371 1.00 52.25 H new ATOM 0 HA LEU A 40 -1.763 14.823 -4.864 1.00 72.11 H new ATOM 0 HB2 LEU A 40 0.756 16.462 -4.525 1.00 32.24 H new ATOM 0 HB3 LEU A 40 -0.626 16.609 -3.457 1.00 32.24 H new ATOM 0 HG LEU A 40 1.052 14.123 -3.882 1.00 45.21 H new ATOM 0 HD11 LEU A 40 1.708 14.504 -1.529 1.00 53.12 H new ATOM 0 HD12 LEU A 40 2.163 15.875 -2.569 1.00 53.12 H new ATOM 0 HD13 LEU A 40 0.739 15.997 -1.508 1.00 53.12 H new ATOM 0 HD21 LEU A 40 -0.269 13.149 -2.039 1.00 53.11 H new ATOM 0 HD22 LEU A 40 -1.306 14.596 -2.025 1.00 53.11 H new ATOM 0 HD23 LEU A 40 -1.285 13.530 -3.450 1.00 53.11 H new ATOM 582 N PRO A 41 -2.880 17.098 -5.193 1.00 72.35 N ATOM 583 CA PRO A 41 -3.676 18.245 -5.620 1.00 31.32 C ATOM 584 C PRO A 41 -3.100 19.607 -5.188 1.00 71.14 C ATOM 585 O PRO A 41 -3.680 20.642 -5.506 1.00 43.43 O ATOM 586 CB PRO A 41 -5.031 18.001 -4.950 1.00 72.14 C ATOM 587 CG PRO A 41 -4.709 17.222 -3.721 1.00 43.12 C ATOM 588 CD PRO A 41 -3.515 16.371 -4.064 1.00 65.04 C ATOM 0 HA PRO A 41 -3.713 18.311 -6.707 1.00 31.32 H new ATOM 0 HB2 PRO A 41 -5.527 18.940 -4.705 1.00 72.14 H new ATOM 0 HB3 PRO A 41 -5.703 17.447 -5.605 1.00 72.14 H new ATOM 0 HG2 PRO A 41 -4.487 17.886 -2.886 1.00 43.12 H new ATOM 0 HG3 PRO A 41 -5.554 16.603 -3.420 1.00 43.12 H new ATOM 0 HD2 PRO A 41 -2.836 16.274 -3.217 1.00 65.04 H new ATOM 0 HD3 PRO A 41 -3.811 15.362 -4.353 1.00 65.04 H new ATOM 596 N ASP A 42 -1.970 19.629 -4.487 1.00 60.52 N ATOM 597 CA ASP A 42 -1.428 20.914 -4.045 1.00 11.13 C ATOM 598 C ASP A 42 0.087 20.986 -4.213 1.00 55.14 C ATOM 599 O ASP A 42 0.699 20.081 -4.780 1.00 54.42 O ATOM 600 CB ASP A 42 -1.815 21.238 -2.601 1.00 33.12 C ATOM 601 CG ASP A 42 -2.017 22.735 -2.420 1.00 55.25 C ATOM 602 OD1 ASP A 42 -1.040 23.461 -2.164 1.00 4.23 O ATOM 603 OD2 ASP A 42 -3.158 23.213 -2.614 1.00 63.31 O ATOM 0 H ASP A 42 -1.428 18.807 -4.220 1.00 60.52 H new ATOM 0 HA ASP A 42 -1.877 21.667 -4.692 1.00 11.13 H new ATOM 0 HB2 ASP A 42 -2.730 20.708 -2.337 1.00 33.12 H new ATOM 0 HB3 ASP A 42 -1.037 20.887 -1.923 1.00 33.12 H new ATOM 608 N THR A 43 0.665 22.058 -3.715 1.00 12.31 N ATOM 609 CA THR A 43 2.062 22.351 -3.833 1.00 65.21 C ATOM 610 C THR A 43 2.778 21.871 -2.542 1.00 41.20 C ATOM 611 O THR A 43 2.126 21.405 -1.621 1.00 50.35 O ATOM 612 CB THR A 43 2.214 23.885 -4.026 1.00 72.24 C ATOM 613 OG1 THR A 43 1.244 24.321 -4.998 1.00 52.55 O ATOM 614 CG2 THR A 43 3.594 24.266 -4.544 1.00 30.24 C ATOM 0 H THR A 43 0.149 22.771 -3.199 1.00 12.31 H new ATOM 0 HA THR A 43 2.511 21.840 -4.685 1.00 65.21 H new ATOM 0 HB THR A 43 2.067 24.359 -3.055 1.00 72.24 H new ATOM 0 HG1 THR A 43 1.326 25.289 -5.130 1.00 52.55 H new ATOM 0 HG21 THR A 43 3.652 25.348 -4.663 1.00 30.24 H new ATOM 0 HG22 THR A 43 4.353 23.938 -3.834 1.00 30.24 H new ATOM 0 HG23 THR A 43 3.767 23.785 -5.507 1.00 30.24 H new ATOM 622 N GLY A 44 4.103 21.949 -2.502 1.00 21.52 N ATOM 623 CA GLY A 44 4.857 21.499 -1.339 1.00 51.01 C ATOM 624 C GLY A 44 5.496 20.177 -1.636 1.00 73.11 C ATOM 625 O GLY A 44 6.482 19.766 -1.023 1.00 13.42 O ATOM 0 H GLY A 44 4.676 22.319 -3.260 1.00 21.52 H new ATOM 0 HA2 GLY A 44 5.620 22.233 -1.081 1.00 51.01 H new ATOM 0 HA3 GLY A 44 4.196 21.410 -0.477 1.00 51.01 H new ATOM 629 N VAL A 45 4.930 19.540 -2.605 1.00 30.24 N ATOM 630 CA VAL A 45 5.350 18.268 -3.074 1.00 51.03 C ATOM 631 C VAL A 45 6.354 18.468 -4.223 1.00 30.24 C ATOM 632 O VAL A 45 6.311 19.493 -4.926 1.00 65.42 O ATOM 633 CB VAL A 45 4.093 17.469 -3.547 1.00 31.30 C ATOM 634 CG1 VAL A 45 3.378 18.157 -4.697 1.00 33.20 C ATOM 635 CG2 VAL A 45 4.418 16.042 -3.899 1.00 51.53 C ATOM 0 H VAL A 45 4.127 19.911 -3.112 1.00 30.24 H new ATOM 0 HA VAL A 45 5.843 17.702 -2.283 1.00 51.03 H new ATOM 0 HB VAL A 45 3.413 17.449 -2.695 1.00 31.30 H new ATOM 0 HG11 VAL A 45 2.511 17.566 -4.992 1.00 33.20 H new ATOM 0 HG12 VAL A 45 3.051 19.148 -4.382 1.00 33.20 H new ATOM 0 HG13 VAL A 45 4.058 18.252 -5.544 1.00 33.20 H new ATOM 0 HG21 VAL A 45 3.511 15.531 -4.221 1.00 51.53 H new ATOM 0 HG22 VAL A 45 5.151 16.024 -4.706 1.00 51.53 H new ATOM 0 HG23 VAL A 45 4.828 15.536 -3.025 1.00 51.53 H new ATOM 645 N SER A 46 7.277 17.561 -4.365 1.00 53.32 N ATOM 646 CA SER A 46 8.230 17.606 -5.453 1.00 43.34 C ATOM 647 C SER A 46 7.646 16.855 -6.685 1.00 14.34 C ATOM 648 O SER A 46 6.465 16.472 -6.669 1.00 4.14 O ATOM 649 CB SER A 46 9.517 16.948 -4.978 1.00 34.14 C ATOM 650 OG SER A 46 9.943 17.504 -3.740 1.00 2.25 O ATOM 0 H SER A 46 7.396 16.768 -3.735 1.00 53.32 H new ATOM 0 HA SER A 46 8.434 18.635 -5.749 1.00 43.34 H new ATOM 0 HB2 SER A 46 9.362 15.875 -4.865 1.00 34.14 H new ATOM 0 HB3 SER A 46 10.296 17.080 -5.728 1.00 34.14 H new ATOM 0 HG SER A 46 10.771 17.066 -3.452 1.00 2.25 H new ATOM 656 N ARG A 47 8.444 16.674 -7.756 1.00 65.35 N ATOM 657 CA ARG A 47 7.985 15.882 -8.913 1.00 13.33 C ATOM 658 C ARG A 47 7.970 14.421 -8.511 1.00 2.45 C ATOM 659 O ARG A 47 7.052 13.689 -8.808 1.00 55.02 O ATOM 660 CB ARG A 47 8.839 16.116 -10.193 1.00 42.35 C ATOM 661 CG ARG A 47 10.326 15.846 -10.040 1.00 53.15 C ATOM 662 CD ARG A 47 11.071 16.003 -11.348 1.00 60.22 C ATOM 663 NE ARG A 47 12.517 15.859 -11.159 1.00 3.10 N ATOM 664 CZ ARG A 47 13.455 16.464 -11.907 1.00 4.11 C ATOM 665 NH1 ARG A 47 13.106 17.194 -12.975 1.00 44.23 N ATOM 666 NH2 ARG A 47 14.731 16.330 -11.591 1.00 3.23 N ATOM 0 H ARG A 47 9.386 17.055 -7.844 1.00 65.35 H new ATOM 0 HA ARG A 47 6.981 16.209 -9.181 1.00 13.33 H new ATOM 0 HB2 ARG A 47 8.451 15.481 -10.990 1.00 42.35 H new ATOM 0 HB3 ARG A 47 8.705 17.149 -10.515 1.00 42.35 H new ATOM 0 HG2 ARG A 47 10.744 16.530 -9.301 1.00 53.15 H new ATOM 0 HG3 ARG A 47 10.473 14.836 -9.659 1.00 53.15 H new ATOM 0 HD2 ARG A 47 10.719 15.257 -12.061 1.00 60.22 H new ATOM 0 HD3 ARG A 47 10.854 16.981 -11.777 1.00 60.22 H new ATOM 0 HE ARG A 47 12.836 15.254 -10.402 1.00 3.10 H new ATOM 0 HH11 ARG A 47 12.122 17.294 -13.225 1.00 44.23 H new ATOM 0 HH12 ARG A 47 13.824 17.650 -13.538 1.00 44.23 H new ATOM 0 HH21 ARG A 47 15.000 15.769 -10.783 1.00 3.23 H new ATOM 0 HH22 ARG A 47 15.447 16.787 -12.156 1.00 3.23 H new ATOM 680 N ARG A 48 9.001 14.036 -7.825 1.00 71.42 N ATOM 681 CA ARG A 48 9.084 12.780 -7.175 1.00 21.33 C ATOM 682 C ARG A 48 9.286 13.082 -5.739 1.00 25.25 C ATOM 683 O ARG A 48 10.371 13.488 -5.341 1.00 33.41 O ATOM 684 CB ARG A 48 10.239 11.917 -7.670 1.00 71.54 C ATOM 685 CG ARG A 48 10.042 11.254 -9.019 1.00 55.40 C ATOM 686 CD ARG A 48 11.160 10.248 -9.272 1.00 3.20 C ATOM 687 NE ARG A 48 11.358 9.374 -8.100 1.00 3.04 N ATOM 688 CZ ARG A 48 11.460 8.036 -8.093 1.00 22.25 C ATOM 689 NH1 ARG A 48 11.431 7.330 -9.215 1.00 14.33 N ATOM 690 NH2 ARG A 48 11.607 7.426 -6.933 1.00 75.12 N ATOM 0 H ARG A 48 9.833 14.613 -7.702 1.00 71.42 H new ATOM 0 HA ARG A 48 8.177 12.211 -7.377 1.00 21.33 H new ATOM 0 HB2 ARG A 48 11.134 12.537 -7.719 1.00 71.54 H new ATOM 0 HB3 ARG A 48 10.429 11.140 -6.930 1.00 71.54 H new ATOM 0 HG2 ARG A 48 9.075 10.751 -9.049 1.00 55.40 H new ATOM 0 HG3 ARG A 48 10.034 12.008 -9.806 1.00 55.40 H new ATOM 0 HD2 ARG A 48 10.919 9.642 -10.146 1.00 3.20 H new ATOM 0 HD3 ARG A 48 12.086 10.777 -9.497 1.00 3.20 H new ATOM 0 HE ARG A 48 11.425 9.838 -7.194 1.00 3.04 H new ATOM 0 HH11 ARG A 48 11.329 7.803 -10.113 1.00 14.33 H new ATOM 0 HH12 ARG A 48 11.511 6.314 -9.180 1.00 14.33 H new ATOM 0 HH21 ARG A 48 11.641 7.970 -6.071 1.00 75.12 H new ATOM 0 HH22 ARG A 48 11.687 6.410 -6.898 1.00 75.12 H new ATOM 704 N HIS A 49 8.256 12.974 -4.985 1.00 4.12 N ATOM 705 CA HIS A 49 8.321 13.310 -3.594 1.00 32.55 C ATOM 706 C HIS A 49 8.490 12.059 -2.773 1.00 23.23 C ATOM 707 O HIS A 49 9.299 12.011 -1.876 1.00 2.23 O ATOM 708 CB HIS A 49 7.055 14.059 -3.200 1.00 74.12 C ATOM 709 CG HIS A 49 7.025 14.566 -1.794 1.00 62.41 C ATOM 710 ND1 HIS A 49 7.345 15.866 -1.497 1.00 33.30 N ATOM 711 CD2 HIS A 49 6.688 13.918 -0.662 1.00 33.42 C ATOM 712 CE1 HIS A 49 7.196 15.972 -0.188 1.00 64.24 C ATOM 713 NE2 HIS A 49 6.799 14.812 0.356 1.00 15.14 N ATOM 0 H HIS A 49 7.342 12.652 -5.304 1.00 4.12 H new ATOM 0 HA HIS A 49 9.180 13.954 -3.406 1.00 32.55 H new ATOM 0 HB2 HIS A 49 6.927 14.904 -3.876 1.00 74.12 H new ATOM 0 HB3 HIS A 49 6.201 13.399 -3.349 1.00 74.12 H new ATOM 0 HD2 HIS A 49 6.387 12.884 -0.579 1.00 33.42 H new ATOM 0 HE1 HIS A 49 7.372 16.878 0.373 1.00 64.24 H new ATOM 0 HE2 HIS A 49 6.616 14.635 1.344 1.00 15.14 H new ATOM 721 N LEU A 50 7.742 11.046 -3.108 1.00 60.45 N ATOM 722 CA LEU A 50 7.779 9.811 -2.382 1.00 45.10 C ATOM 723 C LEU A 50 7.233 8.704 -3.247 1.00 44.23 C ATOM 724 O LEU A 50 6.455 8.960 -4.146 1.00 73.43 O ATOM 725 CB LEU A 50 6.998 9.977 -1.048 1.00 30.32 C ATOM 726 CG LEU A 50 6.725 8.726 -0.207 1.00 60.04 C ATOM 727 CD1 LEU A 50 6.613 9.113 1.232 1.00 51.33 C ATOM 728 CD2 LEU A 50 5.413 8.086 -0.625 1.00 34.12 C ATOM 0 H LEU A 50 7.090 11.054 -3.892 1.00 60.45 H new ATOM 0 HA LEU A 50 8.804 9.542 -2.126 1.00 45.10 H new ATOM 0 HB2 LEU A 50 7.549 10.683 -0.426 1.00 30.32 H new ATOM 0 HB3 LEU A 50 6.038 10.438 -1.280 1.00 30.32 H new ATOM 0 HG LEU A 50 7.544 8.022 -0.356 1.00 60.04 H new ATOM 0 HD11 LEU A 50 6.419 8.225 1.834 1.00 51.33 H new ATOM 0 HD12 LEU A 50 7.545 9.575 1.558 1.00 51.33 H new ATOM 0 HD13 LEU A 50 5.794 9.821 1.356 1.00 51.33 H new ATOM 0 HD21 LEU A 50 5.232 7.198 -0.019 1.00 34.12 H new ATOM 0 HD22 LEU A 50 4.599 8.796 -0.480 1.00 34.12 H new ATOM 0 HD23 LEU A 50 5.465 7.803 -1.676 1.00 34.12 H new ATOM 740 N GLU A 51 7.692 7.506 -3.029 1.00 71.44 N ATOM 741 CA GLU A 51 7.166 6.356 -3.738 1.00 22.21 C ATOM 742 C GLU A 51 6.731 5.269 -2.758 1.00 22.12 C ATOM 743 O GLU A 51 7.485 4.878 -1.848 1.00 44.03 O ATOM 744 CB GLU A 51 8.164 5.784 -4.768 1.00 71.04 C ATOM 745 CG GLU A 51 9.510 5.377 -4.188 1.00 72.03 C ATOM 746 CD GLU A 51 10.335 4.545 -5.135 1.00 54.44 C ATOM 747 OE1 GLU A 51 10.213 3.318 -5.108 1.00 1.43 O ATOM 748 OE2 GLU A 51 11.141 5.095 -5.905 1.00 75.53 O ATOM 0 H GLU A 51 8.434 7.290 -2.363 1.00 71.44 H new ATOM 0 HA GLU A 51 6.296 6.703 -4.295 1.00 22.21 H new ATOM 0 HB2 GLU A 51 7.713 4.916 -5.248 1.00 71.04 H new ATOM 0 HB3 GLU A 51 8.329 6.529 -5.547 1.00 71.04 H new ATOM 0 HG2 GLU A 51 10.069 6.273 -3.920 1.00 72.03 H new ATOM 0 HG3 GLU A 51 9.348 4.816 -3.268 1.00 72.03 H new ATOM 755 N ILE A 52 5.517 4.825 -2.907 1.00 71.23 N ATOM 756 CA ILE A 52 5.022 3.728 -2.123 1.00 34.11 C ATOM 757 C ILE A 52 5.090 2.491 -2.984 1.00 62.15 C ATOM 758 O ILE A 52 4.466 2.431 -4.038 1.00 12.41 O ATOM 759 CB ILE A 52 3.558 3.933 -1.657 1.00 50.14 C ATOM 760 CG1 ILE A 52 3.430 5.194 -0.794 1.00 22.55 C ATOM 761 CG2 ILE A 52 3.078 2.703 -0.887 1.00 51.41 C ATOM 762 CD1 ILE A 52 2.016 5.502 -0.336 1.00 43.45 C ATOM 0 H ILE A 52 4.845 5.209 -3.571 1.00 71.23 H new ATOM 0 HA ILE A 52 5.633 3.644 -1.224 1.00 34.11 H new ATOM 0 HB ILE A 52 2.929 4.065 -2.538 1.00 50.14 H new ATOM 0 HG12 ILE A 52 4.067 5.085 0.084 1.00 22.55 H new ATOM 0 HG13 ILE A 52 3.809 6.046 -1.359 1.00 22.55 H new ATOM 0 HG21 ILE A 52 2.048 2.855 -0.563 1.00 51.41 H new ATOM 0 HG22 ILE A 52 3.129 1.826 -1.533 1.00 51.41 H new ATOM 0 HG23 ILE A 52 3.714 2.549 -0.015 1.00 51.41 H new ATOM 0 HD11 ILE A 52 2.019 6.409 0.268 1.00 43.45 H new ATOM 0 HD12 ILE A 52 1.375 5.647 -1.206 1.00 43.45 H new ATOM 0 HD13 ILE A 52 1.637 4.671 0.259 1.00 43.45 H new ATOM 774 N ARG A 53 5.867 1.546 -2.582 1.00 70.01 N ATOM 775 CA ARG A 53 6.006 0.336 -3.333 1.00 51.13 C ATOM 776 C ARG A 53 5.269 -0.779 -2.629 1.00 72.32 C ATOM 777 O ARG A 53 5.653 -1.207 -1.530 1.00 53.01 O ATOM 778 CB ARG A 53 7.485 0.028 -3.553 1.00 34.21 C ATOM 779 CG ARG A 53 7.764 -1.142 -4.471 1.00 73.14 C ATOM 780 CD ARG A 53 9.230 -1.192 -4.858 1.00 14.30 C ATOM 781 NE ARG A 53 9.688 0.099 -5.423 1.00 30.34 N ATOM 782 CZ ARG A 53 10.300 0.278 -6.602 1.00 20.34 C ATOM 783 NH1 ARG A 53 10.566 -0.750 -7.391 1.00 50.31 N ATOM 784 NH2 ARG A 53 10.653 1.499 -6.971 1.00 61.01 N ATOM 0 H ARG A 53 6.424 1.584 -1.728 1.00 70.01 H new ATOM 0 HA ARG A 53 5.558 0.446 -4.321 1.00 51.13 H new ATOM 0 HB2 ARG A 53 7.969 0.915 -3.962 1.00 34.21 H new ATOM 0 HB3 ARG A 53 7.947 -0.170 -2.586 1.00 34.21 H new ATOM 0 HG2 ARG A 53 7.483 -2.072 -3.977 1.00 73.14 H new ATOM 0 HG3 ARG A 53 7.150 -1.060 -5.368 1.00 73.14 H new ATOM 0 HD2 ARG A 53 9.830 -1.440 -3.983 1.00 14.30 H new ATOM 0 HD3 ARG A 53 9.388 -1.986 -5.588 1.00 14.30 H new ATOM 0 HE ARG A 53 9.521 0.933 -4.860 1.00 30.34 H new ATOM 0 HH11 ARG A 53 10.305 -1.694 -7.105 1.00 50.31 H new ATOM 0 HH12 ARG A 53 11.032 -0.599 -8.286 1.00 50.31 H new ATOM 0 HH21 ARG A 53 10.459 2.293 -6.360 1.00 61.01 H new ATOM 0 HH22 ARG A 53 11.119 1.646 -7.866 1.00 61.01 H new ATOM 798 N TRP A 54 4.190 -1.203 -3.226 1.00 12.01 N ATOM 799 CA TRP A 54 3.360 -2.208 -2.648 1.00 0.21 C ATOM 800 C TRP A 54 3.562 -3.529 -3.356 1.00 70.24 C ATOM 801 O TRP A 54 3.583 -3.601 -4.591 1.00 40.43 O ATOM 802 CB TRP A 54 1.870 -1.769 -2.666 1.00 24.02 C ATOM 803 CG TRP A 54 0.890 -2.821 -2.177 1.00 24.33 C ATOM 804 CD1 TRP A 54 -0.111 -3.415 -2.898 1.00 2.30 C ATOM 805 CD2 TRP A 54 0.840 -3.415 -0.872 1.00 40.35 C ATOM 806 NE1 TRP A 54 -0.772 -4.334 -2.106 1.00 74.31 N ATOM 807 CE2 TRP A 54 -0.208 -4.347 -0.870 1.00 3.32 C ATOM 808 CE3 TRP A 54 1.573 -3.247 0.287 1.00 20.44 C ATOM 809 CZ2 TRP A 54 -0.530 -5.106 0.250 1.00 52.25 C ATOM 810 CZ3 TRP A 54 1.257 -4.000 1.396 1.00 1.51 C ATOM 811 CH2 TRP A 54 0.213 -4.919 1.372 1.00 54.03 C ATOM 0 H TRP A 54 3.866 -0.857 -4.129 1.00 12.01 H new ATOM 0 HA TRP A 54 3.647 -2.342 -1.605 1.00 0.21 H new ATOM 0 HB2 TRP A 54 1.761 -0.877 -2.049 1.00 24.02 H new ATOM 0 HB3 TRP A 54 1.601 -1.487 -3.684 1.00 24.02 H new ATOM 0 HD1 TRP A 54 -0.348 -3.198 -3.929 1.00 2.30 H new ATOM 0 HE1 TRP A 54 -1.559 -4.911 -2.402 1.00 74.31 H new ATOM 0 HE3 TRP A 54 2.384 -2.534 0.323 1.00 20.44 H new ATOM 0 HZ2 TRP A 54 -1.341 -5.818 0.229 1.00 52.25 H new ATOM 0 HZ3 TRP A 54 1.831 -3.875 2.302 1.00 1.51 H new ATOM 0 HH2 TRP A 54 -0.010 -5.493 2.259 1.00 54.03 H new ATOM 822 N ASP A 55 3.735 -4.539 -2.568 1.00 73.12 N ATOM 823 CA ASP A 55 3.900 -5.896 -3.013 1.00 35.24 C ATOM 824 C ASP A 55 3.191 -6.737 -1.982 1.00 13.42 C ATOM 825 O ASP A 55 2.847 -6.204 -0.914 1.00 62.33 O ATOM 826 CB ASP A 55 5.397 -6.255 -3.093 1.00 54.24 C ATOM 827 CG ASP A 55 5.671 -7.653 -3.619 1.00 2.42 C ATOM 828 OD1 ASP A 55 5.578 -7.877 -4.851 1.00 4.21 O ATOM 829 OD2 ASP A 55 6.018 -8.539 -2.826 1.00 15.15 O ATOM 0 H ASP A 55 3.768 -4.444 -1.553 1.00 73.12 H new ATOM 0 HA ASP A 55 3.491 -6.058 -4.010 1.00 35.24 H new ATOM 0 HB2 ASP A 55 5.899 -5.532 -3.735 1.00 54.24 H new ATOM 0 HB3 ASP A 55 5.836 -6.159 -2.100 1.00 54.24 H new ATOM 834 N GLY A 56 2.952 -7.998 -2.262 1.00 33.50 N ATOM 835 CA GLY A 56 2.225 -8.849 -1.342 1.00 0.31 C ATOM 836 C GLY A 56 3.044 -9.254 -0.131 1.00 21.51 C ATOM 837 O GLY A 56 3.375 -10.432 0.038 1.00 11.30 O ATOM 0 H GLY A 56 3.250 -8.460 -3.121 1.00 33.50 H new ATOM 0 HA2 GLY A 56 1.327 -8.329 -1.008 1.00 0.31 H new ATOM 0 HA3 GLY A 56 1.897 -9.746 -1.868 1.00 0.31 H new ATOM 841 N GLN A 57 3.388 -8.274 0.681 1.00 75.02 N ATOM 842 CA GLN A 57 4.119 -8.470 1.909 1.00 24.53 C ATOM 843 C GLN A 57 3.885 -7.254 2.811 1.00 14.10 C ATOM 844 O GLN A 57 3.040 -7.292 3.698 1.00 43.35 O ATOM 845 CB GLN A 57 5.624 -8.674 1.634 1.00 44.21 C ATOM 846 CG GLN A 57 6.431 -9.081 2.858 1.00 24.43 C ATOM 847 CD GLN A 57 7.896 -9.292 2.539 1.00 71.54 C ATOM 848 OE1 GLN A 57 8.306 -10.385 2.162 1.00 43.12 O ATOM 849 NE2 GLN A 57 8.700 -8.286 2.723 1.00 25.13 N ATOM 0 H GLN A 57 3.160 -7.297 0.497 1.00 75.02 H new ATOM 0 HA GLN A 57 3.762 -9.371 2.407 1.00 24.53 H new ATOM 0 HB2 GLN A 57 5.741 -9.437 0.865 1.00 44.21 H new ATOM 0 HB3 GLN A 57 6.037 -7.749 1.231 1.00 44.21 H new ATOM 0 HG2 GLN A 57 6.336 -8.312 3.625 1.00 24.43 H new ATOM 0 HG3 GLN A 57 6.017 -9.999 3.274 1.00 24.43 H new ATOM 0 HE21 GLN A 57 8.330 -7.389 3.037 1.00 25.13 H new ATOM 0 HE22 GLN A 57 9.700 -8.395 2.553 1.00 25.13 H new ATOM 858 N VAL A 58 4.578 -6.161 2.516 1.00 21.43 N ATOM 859 CA VAL A 58 4.478 -4.912 3.271 1.00 53.21 C ATOM 860 C VAL A 58 4.559 -3.751 2.306 1.00 32.24 C ATOM 861 O VAL A 58 5.018 -3.922 1.166 1.00 61.00 O ATOM 862 CB VAL A 58 5.599 -4.735 4.348 1.00 74.22 C ATOM 863 CG1 VAL A 58 5.477 -5.755 5.465 1.00 22.52 C ATOM 864 CG2 VAL A 58 6.983 -4.803 3.713 1.00 35.51 C ATOM 0 H VAL A 58 5.234 -6.114 1.737 1.00 21.43 H new ATOM 0 HA VAL A 58 3.526 -4.943 3.800 1.00 53.21 H new ATOM 0 HB VAL A 58 5.467 -3.746 4.787 1.00 74.22 H new ATOM 0 HG11 VAL A 58 6.274 -5.597 6.191 1.00 22.52 H new ATOM 0 HG12 VAL A 58 4.511 -5.642 5.957 1.00 22.52 H new ATOM 0 HG13 VAL A 58 5.558 -6.760 5.051 1.00 22.52 H new ATOM 0 HG21 VAL A 58 7.743 -4.677 4.484 1.00 35.51 H new ATOM 0 HG22 VAL A 58 7.114 -5.771 3.229 1.00 35.51 H new ATOM 0 HG23 VAL A 58 7.083 -4.010 2.972 1.00 35.51 H new ATOM 874 N ALA A 59 4.094 -2.604 2.725 1.00 54.41 N ATOM 875 CA ALA A 59 4.147 -1.431 1.897 1.00 20.35 C ATOM 876 C ALA A 59 5.428 -0.683 2.167 1.00 62.30 C ATOM 877 O ALA A 59 5.659 -0.179 3.283 1.00 13.21 O ATOM 878 CB ALA A 59 2.935 -0.549 2.118 1.00 0.14 C ATOM 0 H ALA A 59 3.672 -2.458 3.642 1.00 54.41 H new ATOM 0 HA ALA A 59 4.132 -1.735 0.850 1.00 20.35 H new ATOM 0 HB1 ALA A 59 3.003 0.331 1.478 1.00 0.14 H new ATOM 0 HB2 ALA A 59 2.030 -1.106 1.874 1.00 0.14 H new ATOM 0 HB3 ALA A 59 2.898 -0.236 3.162 1.00 0.14 H new ATOM 884 N LEU A 60 6.260 -0.647 1.172 1.00 51.14 N ATOM 885 CA LEU A 60 7.534 -0.017 1.249 1.00 13.33 C ATOM 886 C LEU A 60 7.390 1.473 0.987 1.00 50.12 C ATOM 887 O LEU A 60 7.102 1.902 -0.133 1.00 63.43 O ATOM 888 CB LEU A 60 8.471 -0.671 0.240 1.00 5.43 C ATOM 889 CG LEU A 60 9.876 -0.100 0.118 1.00 45.55 C ATOM 890 CD1 LEU A 60 10.631 -0.241 1.428 1.00 11.15 C ATOM 891 CD2 LEU A 60 10.608 -0.803 -1.003 1.00 44.25 C ATOM 0 H LEU A 60 6.063 -1.066 0.263 1.00 51.14 H new ATOM 0 HA LEU A 60 7.955 -0.139 2.247 1.00 13.33 H new ATOM 0 HB2 LEU A 60 8.557 -1.727 0.496 1.00 5.43 H new ATOM 0 HB3 LEU A 60 7.999 -0.618 -0.741 1.00 5.43 H new ATOM 0 HG LEU A 60 9.810 0.963 -0.112 1.00 45.55 H new ATOM 0 HD11 LEU A 60 11.633 0.174 1.317 1.00 11.15 H new ATOM 0 HD12 LEU A 60 10.100 0.297 2.214 1.00 11.15 H new ATOM 0 HD13 LEU A 60 10.703 -1.295 1.695 1.00 11.15 H new ATOM 0 HD21 LEU A 60 11.615 -0.395 -1.092 1.00 44.25 H new ATOM 0 HD22 LEU A 60 10.666 -1.870 -0.787 1.00 44.25 H new ATOM 0 HD23 LEU A 60 10.071 -0.651 -1.939 1.00 44.25 H new ATOM 903 N LEU A 61 7.548 2.227 2.019 1.00 62.14 N ATOM 904 CA LEU A 61 7.444 3.654 1.978 1.00 12.44 C ATOM 905 C LEU A 61 8.853 4.207 1.775 1.00 41.24 C ATOM 906 O LEU A 61 9.697 4.066 2.647 1.00 52.24 O ATOM 907 CB LEU A 61 6.811 4.109 3.334 1.00 44.44 C ATOM 908 CG LEU A 61 6.422 5.593 3.576 1.00 22.14 C ATOM 909 CD1 LEU A 61 7.614 6.544 3.582 1.00 1.52 C ATOM 910 CD2 LEU A 61 5.360 6.033 2.588 1.00 55.30 C ATOM 0 H LEU A 61 7.760 1.861 2.947 1.00 62.14 H new ATOM 0 HA LEU A 61 6.815 4.020 1.166 1.00 12.44 H new ATOM 0 HB2 LEU A 61 5.909 3.514 3.481 1.00 44.44 H new ATOM 0 HB3 LEU A 61 7.510 3.829 4.123 1.00 44.44 H new ATOM 0 HG LEU A 61 6.007 5.645 4.582 1.00 22.14 H new ATOM 0 HD11 LEU A 61 7.266 7.562 3.756 1.00 1.52 H new ATOM 0 HD12 LEU A 61 8.305 6.256 4.374 1.00 1.52 H new ATOM 0 HD13 LEU A 61 8.124 6.495 2.620 1.00 1.52 H new ATOM 0 HD21 LEU A 61 5.100 7.075 2.773 1.00 55.30 H new ATOM 0 HD22 LEU A 61 5.742 5.929 1.573 1.00 55.30 H new ATOM 0 HD23 LEU A 61 4.473 5.411 2.707 1.00 55.30 H new ATOM 922 N ALA A 62 9.116 4.770 0.618 1.00 14.44 N ATOM 923 CA ALA A 62 10.416 5.350 0.338 1.00 52.20 C ATOM 924 C ALA A 62 10.253 6.813 -0.029 1.00 4.23 C ATOM 925 O ALA A 62 9.582 7.150 -1.014 1.00 64.32 O ATOM 926 CB ALA A 62 11.133 4.582 -0.764 1.00 11.13 C ATOM 0 H ALA A 62 8.447 4.840 -0.149 1.00 14.44 H new ATOM 0 HA ALA A 62 11.033 5.280 1.234 1.00 52.20 H new ATOM 0 HB1 ALA A 62 12.104 5.039 -0.953 1.00 11.13 H new ATOM 0 HB2 ALA A 62 11.273 3.546 -0.454 1.00 11.13 H new ATOM 0 HB3 ALA A 62 10.535 4.610 -1.675 1.00 11.13 H new ATOM 932 N ASP A 63 10.850 7.664 0.751 1.00 24.22 N ATOM 933 CA ASP A 63 10.711 9.102 0.585 1.00 43.00 C ATOM 934 C ASP A 63 11.856 9.682 -0.245 1.00 0.50 C ATOM 935 O ASP A 63 13.011 9.216 -0.146 1.00 25.11 O ATOM 936 CB ASP A 63 10.650 9.762 1.959 1.00 22.15 C ATOM 937 CG ASP A 63 10.519 11.259 1.897 1.00 0.13 C ATOM 938 OD1 ASP A 63 9.474 11.754 1.439 1.00 14.42 O ATOM 939 OD2 ASP A 63 11.424 11.954 2.373 1.00 1.23 O ATOM 0 H ASP A 63 11.453 7.391 1.527 1.00 24.22 H new ATOM 0 HA ASP A 63 9.787 9.305 0.043 1.00 43.00 H new ATOM 0 HB2 ASP A 63 9.805 9.353 2.513 1.00 22.15 H new ATOM 0 HB3 ASP A 63 11.551 9.506 2.517 1.00 22.15 H new ATOM 944 N LEU A 64 11.532 10.637 -1.098 1.00 11.31 N ATOM 945 CA LEU A 64 12.513 11.316 -1.935 1.00 74.53 C ATOM 946 C LEU A 64 12.852 12.698 -1.367 1.00 62.31 C ATOM 947 O LEU A 64 12.087 13.664 -1.541 1.00 50.04 O ATOM 948 CB LEU A 64 12.051 11.457 -3.419 1.00 42.03 C ATOM 949 CG LEU A 64 12.016 10.197 -4.319 1.00 54.51 C ATOM 950 CD1 LEU A 64 13.382 9.544 -4.431 1.00 11.20 C ATOM 951 CD2 LEU A 64 10.964 9.194 -3.872 1.00 65.03 C ATOM 0 H LEU A 64 10.576 10.967 -1.233 1.00 11.31 H new ATOM 0 HA LEU A 64 13.404 10.689 -1.928 1.00 74.53 H new ATOM 0 HB2 LEU A 64 11.048 11.884 -3.412 1.00 42.03 H new ATOM 0 HB3 LEU A 64 12.704 12.186 -3.899 1.00 42.03 H new ATOM 0 HG LEU A 64 11.730 10.540 -5.313 1.00 54.51 H new ATOM 0 HD11 LEU A 64 13.313 8.664 -5.071 1.00 11.20 H new ATOM 0 HD12 LEU A 64 14.089 10.252 -4.862 1.00 11.20 H new ATOM 0 HD13 LEU A 64 13.725 9.246 -3.440 1.00 11.20 H new ATOM 0 HD21 LEU A 64 10.980 8.329 -4.536 1.00 65.03 H new ATOM 0 HD22 LEU A 64 11.177 8.873 -2.852 1.00 65.03 H new ATOM 0 HD23 LEU A 64 9.979 9.660 -3.907 1.00 65.03 H new ATOM 963 N ASN A 65 14.009 12.779 -0.710 1.00 61.52 N ATOM 964 CA ASN A 65 14.532 14.013 -0.086 1.00 12.42 C ATOM 965 C ASN A 65 13.685 14.444 1.096 1.00 13.43 C ATOM 966 O ASN A 65 12.801 15.308 0.970 1.00 5.31 O ATOM 967 CB ASN A 65 14.704 15.181 -1.087 1.00 51.22 C ATOM 968 CG ASN A 65 15.712 14.902 -2.181 1.00 40.43 C ATOM 969 OD1 ASN A 65 16.686 14.179 -1.984 1.00 3.11 O ATOM 970 ND2 ASN A 65 15.485 15.457 -3.343 1.00 5.30 N ATOM 0 H ASN A 65 14.628 11.977 -0.589 1.00 61.52 H new ATOM 0 HA ASN A 65 15.529 13.759 0.274 1.00 12.42 H new ATOM 0 HB2 ASN A 65 13.739 15.402 -1.542 1.00 51.22 H new ATOM 0 HB3 ASN A 65 15.011 16.073 -0.541 1.00 51.22 H new ATOM 0 HD21 ASN A 65 16.126 15.295 -4.120 1.00 5.30 H new ATOM 0 HD22 ASN A 65 14.667 16.052 -3.473 1.00 5.30 H new ATOM 977 N SER A 66 13.987 13.872 2.244 1.00 31.55 N ATOM 978 CA SER A 66 13.227 14.041 3.468 1.00 31.21 C ATOM 979 C SER A 66 13.243 15.468 4.026 1.00 74.32 C ATOM 980 O SER A 66 12.397 15.814 4.859 1.00 11.23 O ATOM 981 CB SER A 66 13.725 13.038 4.485 1.00 0.42 C ATOM 982 OG SER A 66 13.711 11.746 3.900 1.00 44.23 O ATOM 0 H SER A 66 14.793 13.257 2.355 1.00 31.55 H new ATOM 0 HA SER A 66 12.178 13.857 3.234 1.00 31.21 H new ATOM 0 HB2 SER A 66 14.734 13.296 4.806 1.00 0.42 H new ATOM 0 HB3 SER A 66 13.094 13.057 5.373 1.00 0.42 H new ATOM 0 HG SER A 66 12.931 11.662 3.312 1.00 44.23 H new ATOM 988 N THR A 67 14.160 16.304 3.536 1.00 31.01 N ATOM 989 CA THR A 67 14.245 17.713 3.937 1.00 30.44 C ATOM 990 C THR A 67 12.887 18.423 3.709 1.00 53.51 C ATOM 991 O THR A 67 12.441 19.255 4.508 1.00 31.42 O ATOM 992 CB THR A 67 15.375 18.455 3.137 1.00 72.23 C ATOM 993 OG1 THR A 67 15.446 19.832 3.533 1.00 20.10 O ATOM 994 CG2 THR A 67 15.138 18.372 1.615 1.00 74.43 C ATOM 0 H THR A 67 14.864 16.026 2.852 1.00 31.01 H new ATOM 0 HA THR A 67 14.491 17.747 4.998 1.00 30.44 H new ATOM 0 HB THR A 67 16.318 17.959 3.367 1.00 72.23 H new ATOM 0 HG1 THR A 67 16.155 20.282 3.028 1.00 20.10 H new ATOM 0 HG21 THR A 67 15.939 18.896 1.093 1.00 74.43 H new ATOM 0 HG22 THR A 67 15.126 17.327 1.305 1.00 74.43 H new ATOM 0 HG23 THR A 67 14.182 18.834 1.370 1.00 74.43 H new ATOM 1002 N ASN A 68 12.247 18.068 2.630 1.00 42.42 N ATOM 1003 CA ASN A 68 10.966 18.608 2.248 1.00 71.44 C ATOM 1004 C ASN A 68 9.982 17.453 2.126 1.00 62.13 C ATOM 1005 O ASN A 68 8.790 17.632 1.888 1.00 10.23 O ATOM 1006 CB ASN A 68 11.149 19.366 0.909 1.00 61.35 C ATOM 1007 CG ASN A 68 9.865 19.831 0.254 1.00 41.02 C ATOM 1008 OD1 ASN A 68 9.356 20.911 0.545 1.00 64.23 O ATOM 1009 ND2 ASN A 68 9.376 19.049 -0.666 1.00 40.54 N ATOM 0 H ASN A 68 12.609 17.377 1.973 1.00 42.42 H new ATOM 0 HA ASN A 68 10.575 19.308 2.986 1.00 71.44 H new ATOM 0 HB2 ASN A 68 11.784 20.234 1.085 1.00 61.35 H new ATOM 0 HB3 ASN A 68 11.680 18.718 0.212 1.00 61.35 H new ATOM 0 HD21 ASN A 68 8.538 19.325 -1.177 1.00 40.54 H new ATOM 0 HD22 ASN A 68 9.831 18.161 -0.875 1.00 40.54 H new ATOM 1016 N GLY A 69 10.500 16.280 2.396 1.00 10.22 N ATOM 1017 CA GLY A 69 9.803 15.054 2.160 1.00 15.20 C ATOM 1018 C GLY A 69 8.774 14.678 3.190 1.00 74.24 C ATOM 1019 O GLY A 69 7.986 15.515 3.675 1.00 22.01 O ATOM 0 H GLY A 69 11.432 16.156 2.792 1.00 10.22 H new ATOM 0 HA2 GLY A 69 9.311 15.118 1.189 1.00 15.20 H new ATOM 0 HA3 GLY A 69 10.535 14.249 2.094 1.00 15.20 H new ATOM 1023 N THR A 70 8.777 13.450 3.524 1.00 23.01 N ATOM 1024 CA THR A 70 7.741 12.872 4.305 1.00 15.12 C ATOM 1025 C THR A 70 8.216 12.410 5.687 1.00 52.41 C ATOM 1026 O THR A 70 9.390 12.103 5.907 1.00 74.42 O ATOM 1027 CB THR A 70 7.189 11.697 3.507 1.00 11.50 C ATOM 1028 OG1 THR A 70 6.955 12.151 2.164 1.00 30.12 O ATOM 1029 CG2 THR A 70 5.894 11.173 4.088 1.00 11.25 C ATOM 0 H THR A 70 9.513 12.795 3.260 1.00 23.01 H new ATOM 0 HA THR A 70 6.976 13.624 4.499 1.00 15.12 H new ATOM 0 HB THR A 70 7.912 10.882 3.537 1.00 11.50 H new ATOM 0 HG1 THR A 70 7.789 12.102 1.652 1.00 30.12 H new ATOM 0 HG21 THR A 70 5.538 10.336 3.487 1.00 11.25 H new ATOM 0 HG22 THR A 70 6.063 10.838 5.111 1.00 11.25 H new ATOM 0 HG23 THR A 70 5.146 11.966 4.085 1.00 11.25 H new ATOM 1037 N THR A 71 7.292 12.402 6.609 1.00 55.22 N ATOM 1038 CA THR A 71 7.519 11.947 7.931 1.00 24.44 C ATOM 1039 C THR A 71 6.571 10.810 8.271 1.00 63.11 C ATOM 1040 O THR A 71 5.414 10.825 7.868 1.00 1.41 O ATOM 1041 CB THR A 71 7.307 13.099 8.919 1.00 62.12 C ATOM 1042 OG1 THR A 71 6.139 13.866 8.557 1.00 43.15 O ATOM 1043 CG2 THR A 71 8.507 13.991 8.968 1.00 31.02 C ATOM 0 H THR A 71 6.338 12.723 6.445 1.00 55.22 H new ATOM 0 HA THR A 71 8.545 11.586 8.003 1.00 24.44 H new ATOM 0 HB THR A 71 7.156 12.668 9.909 1.00 62.12 H new ATOM 0 HG1 THR A 71 6.016 14.597 9.198 1.00 43.15 H new ATOM 0 HG21 THR A 71 8.330 14.800 9.677 1.00 31.02 H new ATOM 0 HG22 THR A 71 9.376 13.415 9.285 1.00 31.02 H new ATOM 0 HG23 THR A 71 8.690 14.409 7.978 1.00 31.02 H new ATOM 1051 N VAL A 72 7.065 9.837 8.980 1.00 53.15 N ATOM 1052 CA VAL A 72 6.254 8.753 9.474 1.00 44.40 C ATOM 1053 C VAL A 72 6.196 8.943 10.976 1.00 1.54 C ATOM 1054 O VAL A 72 7.229 9.148 11.623 1.00 54.21 O ATOM 1055 CB VAL A 72 6.832 7.348 9.088 1.00 13.20 C ATOM 1056 CG1 VAL A 72 6.934 7.227 7.578 1.00 22.11 C ATOM 1057 CG2 VAL A 72 8.196 7.131 9.710 1.00 64.21 C ATOM 0 H VAL A 72 8.050 9.769 9.236 1.00 53.15 H new ATOM 0 HA VAL A 72 5.260 8.774 9.026 1.00 44.40 H new ATOM 0 HB VAL A 72 6.154 6.585 9.470 1.00 13.20 H new ATOM 0 HG11 VAL A 72 7.336 6.248 7.318 1.00 22.11 H new ATOM 0 HG12 VAL A 72 5.944 7.342 7.136 1.00 22.11 H new ATOM 0 HG13 VAL A 72 7.595 8.004 7.194 1.00 22.11 H new ATOM 0 HG21 VAL A 72 8.573 6.149 9.426 1.00 64.21 H new ATOM 0 HG22 VAL A 72 8.883 7.900 9.357 1.00 64.21 H new ATOM 0 HG23 VAL A 72 8.114 7.188 10.795 1.00 64.21 H new ATOM 1067 N ASN A 73 5.002 9.015 11.506 1.00 33.54 N ATOM 1068 CA ASN A 73 4.760 9.321 12.931 1.00 62.24 C ATOM 1069 C ASN A 73 5.294 10.719 13.243 1.00 61.41 C ATOM 1070 O ASN A 73 5.606 11.042 14.384 1.00 10.32 O ATOM 1071 CB ASN A 73 5.405 8.274 13.880 1.00 53.41 C ATOM 1072 CG ASN A 73 4.871 6.885 13.658 1.00 11.33 C ATOM 1073 OD1 ASN A 73 3.865 6.489 14.257 1.00 31.23 O ATOM 1074 ND2 ASN A 73 5.539 6.133 12.823 1.00 43.43 N ATOM 0 H ASN A 73 4.147 8.864 10.971 1.00 33.54 H new ATOM 0 HA ASN A 73 3.685 9.282 13.104 1.00 62.24 H new ATOM 0 HB2 ASN A 73 6.485 8.272 13.732 1.00 53.41 H new ATOM 0 HB3 ASN A 73 5.225 8.567 14.914 1.00 53.41 H new ATOM 0 HD21 ASN A 73 5.235 5.176 12.643 1.00 43.43 H new ATOM 0 HD22 ASN A 73 6.364 6.503 12.351 1.00 43.43 H new ATOM 1081 N ASN A 74 5.376 11.544 12.177 1.00 4.33 N ATOM 1082 CA ASN A 74 5.867 12.931 12.213 1.00 34.01 C ATOM 1083 C ASN A 74 7.404 12.963 12.439 1.00 74.22 C ATOM 1084 O ASN A 74 7.990 13.972 12.843 1.00 53.11 O ATOM 1085 CB ASN A 74 5.071 13.789 13.242 1.00 40.40 C ATOM 1086 CG ASN A 74 5.228 15.295 13.033 1.00 74.24 C ATOM 1087 OD1 ASN A 74 4.528 15.881 12.199 1.00 4.35 O ATOM 1088 ND2 ASN A 74 6.054 15.939 13.817 1.00 62.44 N ATOM 0 H ASN A 74 5.093 11.251 11.242 1.00 4.33 H new ATOM 0 HA ASN A 74 5.687 13.392 11.242 1.00 34.01 H new ATOM 0 HB2 ASN A 74 4.014 13.530 13.178 1.00 40.40 H new ATOM 0 HB3 ASN A 74 5.402 13.534 14.249 1.00 40.40 H new ATOM 0 HD21 ASN A 74 6.134 16.954 13.750 1.00 62.44 H new ATOM 0 HD22 ASN A 74 6.618 15.426 14.495 1.00 62.44 H new ATOM 1095 N ALA A 75 8.052 11.843 12.134 1.00 33.40 N ATOM 1096 CA ALA A 75 9.504 11.722 12.191 1.00 31.32 C ATOM 1097 C ALA A 75 10.035 11.394 10.783 1.00 65.15 C ATOM 1098 O ALA A 75 9.496 10.514 10.110 1.00 2.40 O ATOM 1099 CB ALA A 75 9.905 10.633 13.183 1.00 42.40 C ATOM 0 H ALA A 75 7.581 10.988 11.838 1.00 33.40 H new ATOM 0 HA ALA A 75 9.937 12.663 12.530 1.00 31.32 H new ATOM 0 HB1 ALA A 75 10.992 10.553 13.216 1.00 42.40 H new ATOM 0 HB2 ALA A 75 9.530 10.888 14.174 1.00 42.40 H new ATOM 0 HB3 ALA A 75 9.480 9.680 12.868 1.00 42.40 H new ATOM 1105 N PRO A 76 11.052 12.123 10.295 1.00 63.42 N ATOM 1106 CA PRO A 76 11.605 11.916 8.940 1.00 22.45 C ATOM 1107 C PRO A 76 12.403 10.609 8.817 1.00 63.31 C ATOM 1108 O PRO A 76 13.189 10.253 9.711 1.00 35.11 O ATOM 1109 CB PRO A 76 12.519 13.126 8.739 1.00 41.43 C ATOM 1110 CG PRO A 76 12.916 13.542 10.116 1.00 4.15 C ATOM 1111 CD PRO A 76 11.752 13.211 11.014 1.00 61.22 C ATOM 0 HA PRO A 76 10.817 11.831 8.192 1.00 22.45 H new ATOM 0 HB2 PRO A 76 13.391 12.867 8.138 1.00 41.43 H new ATOM 0 HB3 PRO A 76 12.000 13.930 8.218 1.00 41.43 H new ATOM 0 HG2 PRO A 76 13.815 13.016 10.436 1.00 4.15 H new ATOM 0 HG3 PRO A 76 13.141 14.608 10.150 1.00 4.15 H new ATOM 0 HD2 PRO A 76 12.086 12.889 12.000 1.00 61.22 H new ATOM 0 HD3 PRO A 76 11.103 14.074 11.163 1.00 61.22 H new ATOM 1119 N VAL A 77 12.204 9.901 7.721 1.00 30.31 N ATOM 1120 CA VAL A 77 12.872 8.623 7.465 1.00 32.41 C ATOM 1121 C VAL A 77 13.193 8.509 5.990 1.00 51.33 C ATOM 1122 O VAL A 77 12.612 9.216 5.186 1.00 11.04 O ATOM 1123 CB VAL A 77 11.991 7.396 7.865 1.00 42.23 C ATOM 1124 CG1 VAL A 77 11.776 7.318 9.368 1.00 50.54 C ATOM 1125 CG2 VAL A 77 10.655 7.432 7.130 1.00 12.54 C ATOM 0 H VAL A 77 11.572 10.191 6.975 1.00 30.31 H new ATOM 0 HA VAL A 77 13.776 8.610 8.073 1.00 32.41 H new ATOM 0 HB VAL A 77 12.530 6.496 7.567 1.00 42.23 H new ATOM 0 HG11 VAL A 77 11.159 6.451 9.603 1.00 50.54 H new ATOM 0 HG12 VAL A 77 12.739 7.224 9.869 1.00 50.54 H new ATOM 0 HG13 VAL A 77 11.276 8.223 9.711 1.00 50.54 H new ATOM 0 HG21 VAL A 77 10.056 6.569 7.422 1.00 12.54 H new ATOM 0 HG22 VAL A 77 10.123 8.348 7.388 1.00 12.54 H new ATOM 0 HG23 VAL A 77 10.831 7.405 6.055 1.00 12.54 H new ATOM 1135 N GLN A 78 14.111 7.627 5.644 1.00 1.22 N ATOM 1136 CA GLN A 78 14.445 7.394 4.247 1.00 32.13 C ATOM 1137 C GLN A 78 13.480 6.372 3.674 1.00 25.44 C ATOM 1138 O GLN A 78 12.937 6.537 2.573 1.00 22.12 O ATOM 1139 CB GLN A 78 15.889 6.900 4.113 1.00 52.00 C ATOM 1140 CG GLN A 78 16.934 7.888 4.616 1.00 11.43 C ATOM 1141 CD GLN A 78 16.904 9.204 3.862 1.00 73.14 C ATOM 1142 OE1 GLN A 78 17.582 9.367 2.846 1.00 44.54 O ATOM 1143 NE2 GLN A 78 16.132 10.140 4.343 1.00 63.43 N ATOM 0 H GLN A 78 14.639 7.060 6.307 1.00 1.22 H new ATOM 0 HA GLN A 78 14.359 8.329 3.693 1.00 32.13 H new ATOM 0 HB2 GLN A 78 15.994 5.965 4.663 1.00 52.00 H new ATOM 0 HB3 GLN A 78 16.090 6.678 3.065 1.00 52.00 H new ATOM 0 HG2 GLN A 78 16.769 8.077 5.677 1.00 11.43 H new ATOM 0 HG3 GLN A 78 17.924 7.443 4.522 1.00 11.43 H new ATOM 0 HE21 GLN A 78 15.586 9.967 5.187 1.00 63.43 H new ATOM 0 HE22 GLN A 78 16.075 11.045 3.875 1.00 63.43 H new ATOM 1152 N GLU A 79 13.270 5.329 4.429 1.00 55.43 N ATOM 1153 CA GLU A 79 12.343 4.294 4.085 1.00 34.42 C ATOM 1154 C GLU A 79 11.703 3.773 5.354 1.00 71.30 C ATOM 1155 O GLU A 79 12.301 3.859 6.441 1.00 43.44 O ATOM 1156 CB GLU A 79 13.017 3.162 3.299 1.00 12.43 C ATOM 1157 CG GLU A 79 14.152 2.469 4.024 1.00 13.52 C ATOM 1158 CD GLU A 79 14.747 1.369 3.201 1.00 44.50 C ATOM 1159 OE1 GLU A 79 14.269 0.214 3.289 1.00 3.04 O ATOM 1160 OE2 GLU A 79 15.705 1.629 2.439 1.00 40.42 O ATOM 0 H GLU A 79 13.749 5.175 5.316 1.00 55.43 H new ATOM 0 HA GLU A 79 11.576 4.709 3.431 1.00 34.42 H new ATOM 0 HB2 GLU A 79 12.262 2.419 3.042 1.00 12.43 H new ATOM 0 HB3 GLU A 79 13.398 3.567 2.362 1.00 12.43 H new ATOM 0 HG2 GLU A 79 14.925 3.197 4.270 1.00 13.52 H new ATOM 0 HG3 GLU A 79 13.786 2.061 4.966 1.00 13.52 H new ATOM 1167 N TRP A 80 10.511 3.291 5.232 1.00 43.33 N ATOM 1168 CA TRP A 80 9.752 2.793 6.343 1.00 11.11 C ATOM 1169 C TRP A 80 8.808 1.741 5.831 1.00 31.42 C ATOM 1170 O TRP A 80 8.395 1.780 4.672 1.00 34.21 O ATOM 1171 CB TRP A 80 8.986 3.972 6.984 1.00 20.43 C ATOM 1172 CG TRP A 80 8.127 3.672 8.170 1.00 15.32 C ATOM 1173 CD1 TRP A 80 6.793 3.395 8.167 1.00 43.41 C ATOM 1174 CD2 TRP A 80 8.527 3.692 9.535 1.00 12.41 C ATOM 1175 NE1 TRP A 80 6.345 3.235 9.443 1.00 51.42 N ATOM 1176 CE2 TRP A 80 7.386 3.411 10.304 1.00 24.34 C ATOM 1177 CE3 TRP A 80 9.741 3.919 10.186 1.00 64.01 C ATOM 1178 CZ2 TRP A 80 7.419 3.358 11.687 1.00 44.14 C ATOM 1179 CZ3 TRP A 80 9.769 3.867 11.560 1.00 64.11 C ATOM 1180 CH2 TRP A 80 8.615 3.588 12.293 1.00 42.23 C ATOM 0 H TRP A 80 10.022 3.229 4.339 1.00 43.33 H new ATOM 0 HA TRP A 80 10.396 2.348 7.102 1.00 11.11 H new ATOM 0 HB2 TRP A 80 9.715 4.727 7.279 1.00 20.43 H new ATOM 0 HB3 TRP A 80 8.355 4.421 6.216 1.00 20.43 H new ATOM 0 HD1 TRP A 80 6.180 3.314 7.281 1.00 43.41 H new ATOM 0 HE1 TRP A 80 5.385 3.018 9.711 1.00 51.42 H new ATOM 0 HE3 TRP A 80 10.638 4.131 9.623 1.00 64.01 H new ATOM 0 HZ2 TRP A 80 6.531 3.143 12.262 1.00 44.14 H new ATOM 0 HZ3 TRP A 80 10.699 4.045 12.080 1.00 64.11 H new ATOM 0 HH2 TRP A 80 8.673 3.554 13.371 1.00 42.23 H new ATOM 1191 N GLN A 81 8.513 0.788 6.639 1.00 54.12 N ATOM 1192 CA GLN A 81 7.567 -0.219 6.272 1.00 72.31 C ATOM 1193 C GLN A 81 6.264 0.110 6.945 1.00 11.45 C ATOM 1194 O GLN A 81 6.152 0.030 8.178 1.00 42.44 O ATOM 1195 CB GLN A 81 8.062 -1.621 6.640 1.00 42.13 C ATOM 1196 CG GLN A 81 9.363 -2.000 5.944 1.00 11.24 C ATOM 1197 CD GLN A 81 9.825 -3.409 6.254 1.00 12.52 C ATOM 1198 OE1 GLN A 81 9.021 -4.314 6.497 1.00 53.34 O ATOM 1199 NE2 GLN A 81 11.110 -3.621 6.221 1.00 61.55 N ATOM 0 H GLN A 81 8.914 0.678 7.570 1.00 54.12 H new ATOM 0 HA GLN A 81 7.432 -0.228 5.190 1.00 72.31 H new ATOM 0 HB2 GLN A 81 8.205 -1.677 7.719 1.00 42.13 H new ATOM 0 HB3 GLN A 81 7.294 -2.350 6.382 1.00 42.13 H new ATOM 0 HG2 GLN A 81 9.233 -1.897 4.867 1.00 11.24 H new ATOM 0 HG3 GLN A 81 10.142 -1.297 6.239 1.00 11.24 H new ATOM 0 HE21 GLN A 81 11.749 -2.852 6.017 1.00 61.55 H new ATOM 0 HE22 GLN A 81 11.477 -4.556 6.399 1.00 61.55 H new ATOM 1208 N LEU A 82 5.307 0.554 6.145 1.00 51.03 N ATOM 1209 CA LEU A 82 4.003 0.980 6.642 1.00 4.12 C ATOM 1210 C LEU A 82 3.316 -0.118 7.422 1.00 21.44 C ATOM 1211 O LEU A 82 3.494 -1.312 7.140 1.00 24.32 O ATOM 1212 CB LEU A 82 3.083 1.402 5.501 1.00 13.14 C ATOM 1213 CG LEU A 82 3.579 2.518 4.585 1.00 42.21 C ATOM 1214 CD1 LEU A 82 2.561 2.809 3.493 1.00 14.24 C ATOM 1215 CD2 LEU A 82 3.847 3.763 5.384 1.00 24.05 C ATOM 0 H LEU A 82 5.410 0.630 5.133 1.00 51.03 H new ATOM 0 HA LEU A 82 4.191 1.830 7.298 1.00 4.12 H new ATOM 0 HB2 LEU A 82 2.881 0.524 4.887 1.00 13.14 H new ATOM 0 HB3 LEU A 82 2.132 1.715 5.931 1.00 13.14 H new ATOM 0 HG LEU A 82 4.506 2.190 4.115 1.00 42.21 H new ATOM 0 HD11 LEU A 82 2.934 3.607 2.851 1.00 14.24 H new ATOM 0 HD12 LEU A 82 2.399 1.910 2.898 1.00 14.24 H new ATOM 0 HD13 LEU A 82 1.619 3.118 3.947 1.00 14.24 H new ATOM 0 HD21 LEU A 82 4.200 4.552 4.720 1.00 24.05 H new ATOM 0 HD22 LEU A 82 2.928 4.085 5.874 1.00 24.05 H new ATOM 0 HD23 LEU A 82 4.607 3.555 6.137 1.00 24.05 H new ATOM 1227 N ALA A 83 2.549 0.293 8.389 1.00 34.21 N ATOM 1228 CA ALA A 83 1.800 -0.587 9.223 1.00 3.02 C ATOM 1229 C ALA A 83 0.526 0.119 9.611 1.00 3.53 C ATOM 1230 O ALA A 83 0.420 1.346 9.431 1.00 55.34 O ATOM 1231 CB ALA A 83 2.607 -0.974 10.450 1.00 33.21 C ATOM 0 H ALA A 83 2.427 1.279 8.622 1.00 34.21 H new ATOM 0 HA ALA A 83 1.565 -1.509 8.691 1.00 3.02 H new ATOM 0 HB1 ALA A 83 2.019 -1.646 11.075 1.00 33.21 H new ATOM 0 HB2 ALA A 83 3.523 -1.476 10.139 1.00 33.21 H new ATOM 0 HB3 ALA A 83 2.859 -0.078 11.017 1.00 33.21 H new ATOM 1237 N ASP A 84 -0.431 -0.629 10.101 1.00 74.11 N ATOM 1238 CA ASP A 84 -1.725 -0.084 10.492 1.00 63.04 C ATOM 1239 C ASP A 84 -1.597 0.920 11.612 1.00 72.31 C ATOM 1240 O ASP A 84 -1.088 0.606 12.696 1.00 21.04 O ATOM 1241 CB ASP A 84 -2.684 -1.184 10.927 1.00 44.25 C ATOM 1242 CG ASP A 84 -4.042 -0.632 11.300 1.00 71.42 C ATOM 1243 OD1 ASP A 84 -4.835 -0.356 10.394 1.00 75.34 O ATOM 1244 OD2 ASP A 84 -4.347 -0.489 12.504 1.00 43.33 O ATOM 0 H ASP A 84 -0.343 -1.635 10.244 1.00 74.11 H new ATOM 0 HA ASP A 84 -2.123 0.417 9.610 1.00 63.04 H new ATOM 0 HB2 ASP A 84 -2.796 -1.909 10.120 1.00 44.25 H new ATOM 0 HB3 ASP A 84 -2.262 -1.718 11.779 1.00 44.25 H new ATOM 1249 N GLY A 85 -2.019 2.120 11.340 1.00 44.21 N ATOM 1250 CA GLY A 85 -2.038 3.137 12.338 1.00 64.42 C ATOM 1251 C GLY A 85 -0.838 4.039 12.281 1.00 5.13 C ATOM 1252 O GLY A 85 -0.559 4.742 13.249 1.00 51.15 O ATOM 0 H GLY A 85 -2.357 2.416 10.424 1.00 44.21 H new ATOM 0 HA2 GLY A 85 -2.941 3.736 12.221 1.00 64.42 H new ATOM 0 HA3 GLY A 85 -2.089 2.671 13.322 1.00 64.42 H new ATOM 1256 N ASP A 86 -0.110 4.022 11.179 1.00 60.03 N ATOM 1257 CA ASP A 86 1.035 4.912 11.071 1.00 2.53 C ATOM 1258 C ASP A 86 0.583 6.207 10.414 1.00 3.43 C ATOM 1259 O ASP A 86 -0.333 6.193 9.556 1.00 35.23 O ATOM 1260 CB ASP A 86 2.177 4.281 10.268 1.00 50.31 C ATOM 1261 CG ASP A 86 3.514 4.801 10.712 1.00 61.44 C ATOM 1262 OD1 ASP A 86 3.871 5.929 10.371 1.00 52.43 O ATOM 1263 OD2 ASP A 86 4.214 4.060 11.466 1.00 61.02 O ATOM 0 H ASP A 86 -0.281 3.424 10.370 1.00 60.03 H new ATOM 0 HA ASP A 86 1.420 5.108 12.072 1.00 2.53 H new ATOM 0 HB2 ASP A 86 2.150 3.198 10.384 1.00 50.31 H new ATOM 0 HB3 ASP A 86 2.037 4.491 9.208 1.00 50.31 H new ATOM 1268 N VAL A 87 1.182 7.309 10.801 1.00 55.35 N ATOM 1269 CA VAL A 87 0.795 8.605 10.288 1.00 40.53 C ATOM 1270 C VAL A 87 1.882 9.119 9.370 1.00 13.10 C ATOM 1271 O VAL A 87 2.977 9.450 9.811 1.00 62.20 O ATOM 1272 CB VAL A 87 0.554 9.637 11.430 1.00 31.43 C ATOM 1273 CG1 VAL A 87 0.071 10.975 10.873 1.00 43.31 C ATOM 1274 CG2 VAL A 87 -0.441 9.095 12.448 1.00 11.23 C ATOM 0 H VAL A 87 1.946 7.334 11.476 1.00 55.35 H new ATOM 0 HA VAL A 87 -0.143 8.485 9.746 1.00 40.53 H new ATOM 0 HB VAL A 87 1.507 9.804 11.932 1.00 31.43 H new ATOM 0 HG11 VAL A 87 -0.088 11.674 11.694 1.00 43.31 H new ATOM 0 HG12 VAL A 87 0.821 11.378 10.193 1.00 43.31 H new ATOM 0 HG13 VAL A 87 -0.865 10.828 10.334 1.00 43.31 H new ATOM 0 HG21 VAL A 87 -0.594 9.833 13.236 1.00 11.23 H new ATOM 0 HG22 VAL A 87 -1.391 8.889 11.955 1.00 11.23 H new ATOM 0 HG23 VAL A 87 -0.051 8.175 12.883 1.00 11.23 H new ATOM 1284 N ILE A 88 1.570 9.214 8.125 1.00 51.40 N ATOM 1285 CA ILE A 88 2.514 9.620 7.125 1.00 70.22 C ATOM 1286 C ILE A 88 2.187 11.045 6.706 1.00 22.20 C ATOM 1287 O ILE A 88 1.081 11.325 6.259 1.00 11.22 O ATOM 1288 CB ILE A 88 2.487 8.637 5.881 1.00 12.31 C ATOM 1289 CG1 ILE A 88 3.187 7.288 6.173 1.00 54.32 C ATOM 1290 CG2 ILE A 88 3.094 9.264 4.636 1.00 2.20 C ATOM 1291 CD1 ILE A 88 2.571 6.432 7.258 1.00 32.20 C ATOM 0 H ILE A 88 0.640 9.010 7.760 1.00 51.40 H new ATOM 0 HA ILE A 88 3.523 9.582 7.536 1.00 70.22 H new ATOM 0 HB ILE A 88 1.431 8.442 5.693 1.00 12.31 H new ATOM 0 HG12 ILE A 88 3.209 6.707 5.251 1.00 54.32 H new ATOM 0 HG13 ILE A 88 4.222 7.492 6.445 1.00 54.32 H new ATOM 0 HG21 ILE A 88 3.052 8.551 3.812 1.00 2.20 H new ATOM 0 HG22 ILE A 88 2.533 10.160 4.370 1.00 2.20 H new ATOM 0 HG23 ILE A 88 4.132 9.531 4.832 1.00 2.20 H new ATOM 0 HD11 ILE A 88 3.149 5.515 7.370 1.00 32.20 H new ATOM 0 HD12 ILE A 88 2.575 6.980 8.200 1.00 32.20 H new ATOM 0 HD13 ILE A 88 1.545 6.183 6.987 1.00 32.20 H new ATOM 1303 N ARG A 89 3.105 11.953 6.889 1.00 12.34 N ATOM 1304 CA ARG A 89 2.840 13.306 6.516 1.00 25.43 C ATOM 1305 C ARG A 89 3.846 13.805 5.513 1.00 3.40 C ATOM 1306 O ARG A 89 5.045 13.870 5.786 1.00 13.50 O ATOM 1307 CB ARG A 89 2.734 14.230 7.728 1.00 11.24 C ATOM 1308 CG ARG A 89 2.286 15.629 7.354 1.00 0.43 C ATOM 1309 CD ARG A 89 1.956 16.465 8.566 1.00 2.42 C ATOM 1310 NE ARG A 89 1.366 17.738 8.166 1.00 32.22 N ATOM 1311 CZ ARG A 89 0.539 18.478 8.901 1.00 53.21 C ATOM 1312 NH1 ARG A 89 0.271 18.148 10.166 1.00 74.13 N ATOM 1313 NH2 ARG A 89 -0.002 19.568 8.375 1.00 74.11 N ATOM 0 H ARG A 89 4.028 11.781 7.288 1.00 12.34 H new ATOM 0 HA ARG A 89 1.863 13.320 6.032 1.00 25.43 H new ATOM 0 HB2 ARG A 89 2.030 13.806 8.444 1.00 11.24 H new ATOM 0 HB3 ARG A 89 3.702 14.283 8.226 1.00 11.24 H new ATOM 0 HG2 ARG A 89 3.072 16.119 6.780 1.00 0.43 H new ATOM 0 HG3 ARG A 89 1.410 15.568 6.708 1.00 0.43 H new ATOM 0 HD2 ARG A 89 1.264 15.924 9.210 1.00 2.42 H new ATOM 0 HD3 ARG A 89 2.860 16.644 9.148 1.00 2.42 H new ATOM 0 HE ARG A 89 1.609 18.092 7.241 1.00 32.22 H new ATOM 0 HH11 ARG A 89 0.702 17.321 10.579 1.00 74.13 H new ATOM 0 HH12 ARG A 89 -0.364 18.723 10.719 1.00 74.13 H new ATOM 0 HH21 ARG A 89 0.217 19.833 7.415 1.00 74.11 H new ATOM 0 HH22 ARG A 89 -0.637 20.141 8.931 1.00 74.11 H new ATOM 1327 N LEU A 90 3.346 14.121 4.362 1.00 74.33 N ATOM 1328 CA LEU A 90 4.107 14.635 3.258 1.00 65.34 C ATOM 1329 C LEU A 90 3.625 16.035 2.952 1.00 52.12 C ATOM 1330 O LEU A 90 2.606 16.445 3.507 1.00 54.33 O ATOM 1331 CB LEU A 90 4.092 13.712 1.998 1.00 21.40 C ATOM 1332 CG LEU A 90 2.744 13.306 1.362 1.00 4.43 C ATOM 1333 CD1 LEU A 90 3.002 12.718 -0.012 1.00 72.33 C ATOM 1334 CD2 LEU A 90 2.024 12.258 2.205 1.00 60.02 C ATOM 0 H LEU A 90 2.352 14.025 4.152 1.00 74.33 H new ATOM 0 HA LEU A 90 5.156 14.663 3.552 1.00 65.34 H new ATOM 0 HB2 LEU A 90 4.681 14.206 1.225 1.00 21.40 H new ATOM 0 HB3 LEU A 90 4.618 12.794 2.261 1.00 21.40 H new ATOM 0 HG LEU A 90 2.118 14.196 1.298 1.00 4.43 H new ATOM 0 HD11 LEU A 90 2.055 12.429 -0.468 1.00 72.33 H new ATOM 0 HD12 LEU A 90 3.495 13.461 -0.639 1.00 72.33 H new ATOM 0 HD13 LEU A 90 3.642 11.841 0.082 1.00 72.33 H new ATOM 0 HD21 LEU A 90 1.079 11.995 1.729 1.00 60.02 H new ATOM 0 HD22 LEU A 90 2.648 11.368 2.290 1.00 60.02 H new ATOM 0 HD23 LEU A 90 1.830 12.661 3.199 1.00 60.02 H new ATOM 1346 N GLY A 91 4.403 16.787 2.174 1.00 31.10 N ATOM 1347 CA GLY A 91 4.079 18.188 1.827 1.00 43.54 C ATOM 1348 C GLY A 91 2.591 18.447 1.555 1.00 62.32 C ATOM 1349 O GLY A 91 2.035 17.977 0.558 1.00 21.50 O ATOM 0 H GLY A 91 5.275 16.452 1.763 1.00 31.10 H new ATOM 0 HA2 GLY A 91 4.405 18.836 2.641 1.00 43.54 H new ATOM 0 HA3 GLY A 91 4.652 18.473 0.944 1.00 43.54 H new ATOM 1353 N HIS A 92 1.953 19.143 2.509 1.00 14.22 N ATOM 1354 CA HIS A 92 0.529 19.533 2.473 1.00 43.22 C ATOM 1355 C HIS A 92 -0.458 18.376 2.622 1.00 72.32 C ATOM 1356 O HIS A 92 -1.664 18.606 2.748 1.00 50.05 O ATOM 1357 CB HIS A 92 0.170 20.406 1.257 1.00 42.24 C ATOM 1358 CG HIS A 92 0.607 21.832 1.379 1.00 3.22 C ATOM 1359 ND1 HIS A 92 -0.272 22.882 1.524 1.00 43.02 N ATOM 1360 CD2 HIS A 92 1.847 22.380 1.363 1.00 4.23 C ATOM 1361 CE1 HIS A 92 0.429 24.004 1.588 1.00 42.44 C ATOM 1362 NE2 HIS A 92 1.736 23.764 1.498 1.00 3.25 N ATOM 0 H HIS A 92 2.426 19.461 3.355 1.00 14.22 H new ATOM 0 HA HIS A 92 0.415 20.142 3.369 1.00 43.22 H new ATOM 0 HB2 HIS A 92 0.624 19.973 0.366 1.00 42.24 H new ATOM 0 HB3 HIS A 92 -0.910 20.379 1.110 1.00 42.24 H new ATOM 0 HD2 HIS A 92 2.773 21.833 1.262 1.00 4.23 H new ATOM 0 HE1 HIS A 92 -0.004 24.987 1.699 1.00 42.44 H new ATOM 0 HE2 HIS A 92 2.494 24.446 1.523 1.00 3.25 H new ATOM 1370 N SER A 93 0.024 17.167 2.684 1.00 14.52 N ATOM 1371 CA SER A 93 -0.855 16.035 2.742 1.00 44.40 C ATOM 1372 C SER A 93 -0.482 15.100 3.890 1.00 73.33 C ATOM 1373 O SER A 93 0.587 14.495 3.900 1.00 33.33 O ATOM 1374 CB SER A 93 -0.798 15.284 1.421 1.00 13.00 C ATOM 1375 OG SER A 93 -0.976 16.176 0.324 1.00 21.21 O ATOM 0 H SER A 93 1.019 16.941 2.696 1.00 14.52 H new ATOM 0 HA SER A 93 -1.869 16.394 2.920 1.00 44.40 H new ATOM 0 HB2 SER A 93 0.161 14.774 1.329 1.00 13.00 H new ATOM 0 HB3 SER A 93 -1.571 14.516 1.400 1.00 13.00 H new ATOM 0 HG SER A 93 -1.663 15.821 -0.278 1.00 21.21 H new ATOM 1381 N GLU A 94 -1.336 15.015 4.858 1.00 53.14 N ATOM 1382 CA GLU A 94 -1.153 14.086 5.937 1.00 2.32 C ATOM 1383 C GLU A 94 -2.098 12.926 5.713 1.00 12.20 C ATOM 1384 O GLU A 94 -3.264 13.128 5.373 1.00 62.32 O ATOM 1385 CB GLU A 94 -1.350 14.759 7.304 1.00 1.34 C ATOM 1386 CG GLU A 94 -2.683 15.450 7.493 1.00 51.20 C ATOM 1387 CD GLU A 94 -2.775 16.144 8.820 1.00 75.34 C ATOM 1388 OE1 GLU A 94 -3.059 15.483 9.840 1.00 22.24 O ATOM 1389 OE2 GLU A 94 -2.597 17.374 8.874 1.00 42.24 O ATOM 0 H GLU A 94 -2.180 15.584 4.928 1.00 53.14 H new ATOM 0 HA GLU A 94 -0.128 13.715 5.949 1.00 2.32 H new ATOM 0 HB2 GLU A 94 -1.236 14.005 8.083 1.00 1.34 H new ATOM 0 HB3 GLU A 94 -0.555 15.491 7.449 1.00 1.34 H new ATOM 0 HG2 GLU A 94 -2.831 16.176 6.694 1.00 51.20 H new ATOM 0 HG3 GLU A 94 -3.486 14.717 7.411 1.00 51.20 H new ATOM 1396 N ILE A 95 -1.602 11.738 5.834 1.00 24.11 N ATOM 1397 CA ILE A 95 -2.381 10.588 5.525 1.00 42.11 C ATOM 1398 C ILE A 95 -2.210 9.529 6.628 1.00 65.14 C ATOM 1399 O ILE A 95 -1.113 9.363 7.190 1.00 10.21 O ATOM 1400 CB ILE A 95 -1.952 10.027 4.117 1.00 22.24 C ATOM 1401 CG1 ILE A 95 -2.960 9.055 3.557 1.00 22.44 C ATOM 1402 CG2 ILE A 95 -0.568 9.401 4.124 1.00 64.32 C ATOM 1403 CD1 ILE A 95 -4.231 9.722 3.107 1.00 70.11 C ATOM 0 H ILE A 95 -0.652 11.540 6.148 1.00 24.11 H new ATOM 0 HA ILE A 95 -3.437 10.856 5.479 1.00 42.11 H new ATOM 0 HB ILE A 95 -1.915 10.897 3.462 1.00 22.24 H new ATOM 0 HG12 ILE A 95 -2.516 8.525 2.714 1.00 22.44 H new ATOM 0 HG13 ILE A 95 -3.197 8.308 4.315 1.00 22.44 H new ATOM 0 HG21 ILE A 95 -0.330 9.033 3.126 1.00 64.32 H new ATOM 0 HG22 ILE A 95 0.168 10.148 4.420 1.00 64.32 H new ATOM 0 HG23 ILE A 95 -0.547 8.571 4.831 1.00 64.32 H new ATOM 0 HD11 ILE A 95 -4.916 8.971 2.714 1.00 70.11 H new ATOM 0 HD12 ILE A 95 -4.695 10.229 3.953 1.00 70.11 H new ATOM 0 HD13 ILE A 95 -4.004 10.449 2.328 1.00 70.11 H new ATOM 1415 N ILE A 96 -3.282 8.868 6.976 1.00 61.31 N ATOM 1416 CA ILE A 96 -3.223 7.811 7.955 1.00 22.03 C ATOM 1417 C ILE A 96 -3.284 6.493 7.216 1.00 5.35 C ATOM 1418 O ILE A 96 -4.152 6.301 6.358 1.00 73.22 O ATOM 1419 CB ILE A 96 -4.392 7.898 8.981 1.00 52.35 C ATOM 1420 CG1 ILE A 96 -4.362 9.254 9.703 1.00 31.52 C ATOM 1421 CG2 ILE A 96 -4.314 6.747 9.995 1.00 25.30 C ATOM 1422 CD1 ILE A 96 -5.503 9.463 10.679 1.00 25.11 C ATOM 0 H ILE A 96 -4.212 9.043 6.595 1.00 61.31 H new ATOM 0 HA ILE A 96 -2.297 7.903 8.522 1.00 22.03 H new ATOM 0 HB ILE A 96 -5.334 7.809 8.440 1.00 52.35 H new ATOM 0 HG12 ILE A 96 -3.418 9.346 10.240 1.00 31.52 H new ATOM 0 HG13 ILE A 96 -4.385 10.050 8.959 1.00 31.52 H new ATOM 0 HG21 ILE A 96 -5.140 6.828 10.702 1.00 25.30 H new ATOM 0 HG22 ILE A 96 -4.378 5.794 9.470 1.00 25.30 H new ATOM 0 HG23 ILE A 96 -3.368 6.801 10.535 1.00 25.30 H new ATOM 0 HD11 ILE A 96 -5.408 10.443 11.146 1.00 25.11 H new ATOM 0 HD12 ILE A 96 -6.452 9.405 10.147 1.00 25.11 H new ATOM 0 HD13 ILE A 96 -5.470 8.691 11.448 1.00 25.11 H new ATOM 1434 N VAL A 97 -2.358 5.619 7.500 1.00 62.03 N ATOM 1435 CA VAL A 97 -2.307 4.344 6.851 1.00 23.21 C ATOM 1436 C VAL A 97 -3.011 3.293 7.678 1.00 61.21 C ATOM 1437 O VAL A 97 -2.623 3.008 8.809 1.00 25.12 O ATOM 1438 CB VAL A 97 -0.848 3.910 6.566 1.00 21.12 C ATOM 1439 CG1 VAL A 97 -0.797 2.494 6.016 1.00 51.31 C ATOM 1440 CG2 VAL A 97 -0.224 4.861 5.570 1.00 31.31 C ATOM 0 H VAL A 97 -1.620 5.773 8.187 1.00 62.03 H new ATOM 0 HA VAL A 97 -2.823 4.443 5.896 1.00 23.21 H new ATOM 0 HB VAL A 97 -0.292 3.935 7.503 1.00 21.12 H new ATOM 0 HG11 VAL A 97 0.239 2.215 5.825 1.00 51.31 H new ATOM 0 HG12 VAL A 97 -1.230 1.806 6.742 1.00 51.31 H new ATOM 0 HG13 VAL A 97 -1.364 2.444 5.086 1.00 51.31 H new ATOM 0 HG21 VAL A 97 0.803 4.556 5.369 1.00 31.31 H new ATOM 0 HG22 VAL A 97 -0.796 4.843 4.642 1.00 31.31 H new ATOM 0 HG23 VAL A 97 -0.229 5.871 5.979 1.00 31.31 H new ATOM 1450 N ARG A 98 -4.053 2.761 7.134 1.00 71.34 N ATOM 1451 CA ARG A 98 -4.771 1.691 7.751 1.00 14.11 C ATOM 1452 C ARG A 98 -4.569 0.437 6.959 1.00 25.41 C ATOM 1453 O ARG A 98 -4.718 0.430 5.746 1.00 55.50 O ATOM 1454 CB ARG A 98 -6.261 2.020 7.884 1.00 11.03 C ATOM 1455 CG ARG A 98 -6.582 3.022 8.975 1.00 62.21 C ATOM 1456 CD ARG A 98 -6.257 2.438 10.336 1.00 15.23 C ATOM 1457 NE ARG A 98 -6.541 3.351 11.433 1.00 31.04 N ATOM 1458 CZ ARG A 98 -6.133 3.168 12.690 1.00 75.25 C ATOM 1459 NH1 ARG A 98 -5.438 2.067 13.026 1.00 14.12 N ATOM 1460 NH2 ARG A 98 -6.425 4.069 13.619 1.00 40.40 N ATOM 0 H ARG A 98 -4.437 3.059 6.237 1.00 71.34 H new ATOM 0 HA ARG A 98 -4.384 1.546 8.760 1.00 14.11 H new ATOM 0 HB2 ARG A 98 -6.622 2.409 6.932 1.00 11.03 H new ATOM 0 HB3 ARG A 98 -6.809 1.098 8.080 1.00 11.03 H new ATOM 0 HG2 ARG A 98 -6.010 3.937 8.818 1.00 62.21 H new ATOM 0 HG3 ARG A 98 -7.637 3.294 8.930 1.00 62.21 H new ATOM 0 HD2 ARG A 98 -6.829 1.521 10.477 1.00 15.23 H new ATOM 0 HD3 ARG A 98 -5.203 2.163 10.364 1.00 15.23 H new ATOM 0 HE ARG A 98 -7.089 4.187 11.227 1.00 31.04 H new ATOM 0 HH11 ARG A 98 -5.220 1.366 12.318 1.00 14.12 H new ATOM 0 HH12 ARG A 98 -5.129 1.933 13.989 1.00 14.12 H new ATOM 0 HH21 ARG A 98 -6.961 4.901 13.372 1.00 40.40 H new ATOM 0 HH22 ARG A 98 -6.113 3.930 14.580 1.00 40.40 H new ATOM 1474 N MET A 99 -4.199 -0.604 7.618 1.00 14.42 N ATOM 1475 CA MET A 99 -4.001 -1.858 6.957 1.00 30.22 C ATOM 1476 C MET A 99 -5.058 -2.779 7.413 1.00 62.34 C ATOM 1477 O MET A 99 -5.098 -3.187 8.574 1.00 53.11 O ATOM 1478 CB MET A 99 -2.608 -2.441 7.187 1.00 44.52 C ATOM 1479 CG MET A 99 -1.493 -1.580 6.611 1.00 63.23 C ATOM 1480 SD MET A 99 0.162 -2.272 6.841 1.00 23.23 S ATOM 1481 CE MET A 99 0.055 -3.823 5.954 1.00 42.22 C ATOM 0 H MET A 99 -4.025 -0.618 8.623 1.00 14.42 H new ATOM 0 HA MET A 99 -4.067 -1.706 5.880 1.00 30.22 H new ATOM 0 HB2 MET A 99 -2.446 -2.565 8.258 1.00 44.52 H new ATOM 0 HB3 MET A 99 -2.559 -3.434 6.740 1.00 44.52 H new ATOM 0 HG2 MET A 99 -1.671 -1.437 5.545 1.00 63.23 H new ATOM 0 HG3 MET A 99 -1.532 -0.595 7.075 1.00 63.23 H new ATOM 0 HE1 MET A 99 1.002 -4.022 5.453 1.00 42.22 H new ATOM 0 HE2 MET A 99 -0.161 -4.629 6.655 1.00 42.22 H new ATOM 0 HE3 MET A 99 -0.742 -3.764 5.213 1.00 42.22 H new ATOM 1491 N HIS A 100 -5.944 -3.044 6.543 1.00 62.11 N ATOM 1492 CA HIS A 100 -7.073 -3.851 6.840 1.00 14.55 C ATOM 1493 C HIS A 100 -6.793 -5.248 6.376 1.00 41.01 C ATOM 1494 O HIS A 100 -6.295 -6.054 7.179 1.00 65.31 O ATOM 1495 CB HIS A 100 -8.334 -3.293 6.164 1.00 1.14 C ATOM 1496 CG HIS A 100 -8.658 -1.873 6.532 1.00 4.15 C ATOM 1497 ND1 HIS A 100 -9.370 -1.513 7.643 1.00 43.12 N ATOM 1498 CD2 HIS A 100 -8.340 -0.715 5.905 1.00 74.42 C ATOM 1499 CE1 HIS A 100 -9.463 -0.184 7.666 1.00 60.24 C ATOM 1500 NE2 HIS A 100 -8.852 0.354 6.628 1.00 55.22 N ATOM 1501 OXT HIS A 100 -7.036 -5.543 5.209 1.00 37.30 O ATOM 0 H HIS A 100 -5.914 -2.704 5.582 1.00 62.11 H new ATOM 0 HA HIS A 100 -7.254 -3.851 7.915 1.00 14.55 H new ATOM 0 HB2 HIS A 100 -8.210 -3.356 5.083 1.00 1.14 H new ATOM 0 HB3 HIS A 100 -9.182 -3.926 6.425 1.00 1.14 H new ATOM 0 HD2 HIS A 100 -7.777 -0.636 4.987 1.00 74.42 H new ATOM 0 HE1 HIS A 100 -9.972 0.379 8.434 1.00 60.24 H new ATOM 0 HE2 HIS A 100 -8.773 1.346 6.404 1.00 55.22 H new