USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 510 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 NoAdj-H: A 12 ASNHD21 : A 12 ASN ND2 : A 101 CACA :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0 (180deg=-0.000631) USER MOD Single : A 7 LYS NZ :NH3+ -175:sc= 0.131 (180deg=0.122) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0958 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -143:sc= -0.767 (180deg=-2.52!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN :FLIP amide:sc= -4.84! C(o=-7.1!,f=-4.8!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.546 K(o=-0.55,f=-4.4!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -8.02! C(o=-8!,f=-14!) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 56 ASN : amide:sc= -0.338 X(o=-0.34,f=-0.044) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -47:sc= 1.11 USER MOD Single : A 66 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.031) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.453 3.467 -3.490 1.00 74.22 N ATOM 2 CA MET A 1 -0.348 3.127 -2.076 1.00 40.31 C ATOM 3 C MET A 1 1.093 3.252 -1.593 1.00 42.23 C ATOM 4 O MET A 1 1.749 2.252 -1.302 1.00 61.42 O ATOM 5 CB MET A 1 -0.859 1.706 -1.833 1.00 3.12 C ATOM 6 CG MET A 1 -2.374 1.591 -1.865 1.00 23.32 C ATOM 7 SD MET A 1 -2.949 -0.094 -1.579 1.00 21.21 S ATOM 8 CE MET A 1 -4.713 0.106 -1.809 1.00 14.41 C ATOM 0 H1 MET A 1 -1.445 3.391 -3.792 1.00 74.22 H new ATOM 0 H2 MET A 1 -0.119 4.441 -3.639 1.00 74.22 H new ATOM 0 H3 MET A 1 0.130 2.812 -4.049 1.00 74.22 H new ATOM 0 HA MET A 1 -0.963 3.828 -1.512 1.00 40.31 H new ATOM 0 HB2 MET A 1 -0.437 1.043 -2.588 1.00 3.12 H new ATOM 0 HB3 MET A 1 -0.497 1.359 -0.865 1.00 3.12 H new ATOM 0 HG2 MET A 1 -2.801 2.250 -1.108 1.00 23.32 H new ATOM 0 HG3 MET A 1 -2.740 1.937 -2.832 1.00 23.32 H new ATOM 0 HE1 MET A 1 -5.210 -0.853 -1.664 1.00 14.41 H new ATOM 0 HE2 MET A 1 -5.095 0.825 -1.085 1.00 14.41 H new ATOM 0 HE3 MET A 1 -4.910 0.468 -2.818 1.00 14.41 H new ATOM 18 N ALA A 2 1.580 4.486 -1.508 1.00 75.24 N ATOM 19 CA ALA A 2 2.942 4.741 -1.058 1.00 65.33 C ATOM 20 C ALA A 2 2.952 5.549 0.235 1.00 14.31 C ATOM 21 O ALA A 2 3.237 5.017 1.307 1.00 71.22 O ATOM 22 CB ALA A 2 3.729 5.465 -2.140 1.00 74.52 C ATOM 0 H ALA A 2 1.050 5.325 -1.745 1.00 75.24 H new ATOM 0 HA ALA A 2 3.417 3.780 -0.859 1.00 65.33 H new ATOM 0 HB1 ALA A 2 4.745 5.649 -1.790 1.00 74.52 H new ATOM 0 HB2 ALA A 2 3.761 4.850 -3.040 1.00 74.52 H new ATOM 0 HB3 ALA A 2 3.246 6.415 -2.367 1.00 74.52 H new ATOM 28 N GLU A 3 2.636 6.836 0.126 1.00 64.52 N ATOM 29 CA GLU A 3 2.611 7.716 1.288 1.00 44.31 C ATOM 30 C GLU A 3 1.175 8.035 1.697 1.00 65.24 C ATOM 31 O GLU A 3 0.915 8.421 2.836 1.00 32.14 O ATOM 32 CB GLU A 3 3.367 9.012 0.991 1.00 65.44 C ATOM 33 CG GLU A 3 2.674 9.902 -0.026 1.00 62.34 C ATOM 34 CD GLU A 3 3.576 10.271 -1.189 1.00 21.02 C ATOM 35 OE1 GLU A 3 3.915 9.370 -1.985 1.00 41.00 O ATOM 36 OE2 GLU A 3 3.942 11.460 -1.303 1.00 34.34 O ATOM 0 H GLU A 3 2.394 7.291 -0.754 1.00 64.52 H new ATOM 0 HA GLU A 3 3.101 7.199 2.114 1.00 44.31 H new ATOM 0 HB2 GLU A 3 3.496 9.568 1.920 1.00 65.44 H new ATOM 0 HB3 GLU A 3 4.364 8.765 0.626 1.00 65.44 H new ATOM 0 HG2 GLU A 3 1.788 9.392 -0.405 1.00 62.34 H new ATOM 0 HG3 GLU A 3 2.332 10.812 0.467 1.00 62.34 H new ATOM 43 N ALA A 4 0.249 7.872 0.758 1.00 63.22 N ATOM 44 CA ALA A 4 -1.159 8.142 1.020 1.00 1.23 C ATOM 45 C ALA A 4 -1.647 7.374 2.244 1.00 65.50 C ATOM 46 O ALA A 4 -2.607 7.777 2.901 1.00 61.02 O ATOM 47 CB ALA A 4 -1.999 7.786 -0.198 1.00 14.53 C ATOM 0 H ALA A 4 0.449 7.554 -0.191 1.00 63.22 H new ATOM 0 HA ALA A 4 -1.268 9.207 1.225 1.00 1.23 H new ATOM 0 HB1 ALA A 4 -3.049 7.992 0.011 1.00 14.53 H new ATOM 0 HB2 ALA A 4 -1.675 8.383 -1.051 1.00 14.53 H new ATOM 0 HB3 ALA A 4 -1.876 6.728 -0.428 1.00 14.53 H new ATOM 53 N LEU A 5 -0.979 6.264 2.545 1.00 74.12 N ATOM 54 CA LEU A 5 -1.345 5.439 3.691 1.00 53.31 C ATOM 55 C LEU A 5 -1.181 6.214 4.995 1.00 34.33 C ATOM 56 O LEU A 5 -2.000 6.094 5.907 1.00 65.42 O ATOM 57 CB LEU A 5 -0.488 4.172 3.725 1.00 12.34 C ATOM 58 CG LEU A 5 -0.163 3.544 2.370 1.00 61.44 C ATOM 59 CD1 LEU A 5 0.555 2.217 2.554 1.00 10.41 C ATOM 60 CD2 LEU A 5 -1.432 3.357 1.551 1.00 73.54 C ATOM 0 H LEU A 5 -0.182 5.916 2.012 1.00 74.12 H new ATOM 0 HA LEU A 5 -2.393 5.159 3.587 1.00 53.31 H new ATOM 0 HB2 LEU A 5 0.450 4.406 4.229 1.00 12.34 H new ATOM 0 HB3 LEU A 5 -1.000 3.427 4.334 1.00 12.34 H new ATOM 0 HG LEU A 5 0.499 4.219 1.828 1.00 61.44 H new ATOM 0 HD11 LEU A 5 0.778 1.785 1.578 1.00 10.41 H new ATOM 0 HD12 LEU A 5 1.484 2.379 3.100 1.00 10.41 H new ATOM 0 HD13 LEU A 5 -0.082 1.534 3.116 1.00 10.41 H new ATOM 0 HD21 LEU A 5 -1.182 2.909 0.589 1.00 73.54 H new ATOM 0 HD22 LEU A 5 -2.119 2.703 2.088 1.00 73.54 H new ATOM 0 HD23 LEU A 5 -1.906 4.325 1.388 1.00 73.54 H new ATOM 72 N PHE A 6 -0.120 7.009 5.075 1.00 73.54 N ATOM 73 CA PHE A 6 0.151 7.805 6.266 1.00 33.32 C ATOM 74 C PHE A 6 -0.956 8.829 6.499 1.00 4.21 C ATOM 75 O PHE A 6 -1.457 8.975 7.614 1.00 42.23 O ATOM 76 CB PHE A 6 1.499 8.516 6.134 1.00 63.11 C ATOM 77 CG PHE A 6 1.645 9.700 7.048 1.00 12.14 C ATOM 78 CD1 PHE A 6 1.103 10.928 6.703 1.00 20.12 C ATOM 79 CD2 PHE A 6 2.323 9.584 8.251 1.00 61.34 C ATOM 80 CE1 PHE A 6 1.235 12.018 7.541 1.00 55.33 C ATOM 81 CE2 PHE A 6 2.458 10.672 9.092 1.00 12.34 C ATOM 82 CZ PHE A 6 1.913 11.891 8.737 1.00 21.40 C ATOM 0 H PHE A 6 0.567 7.119 4.329 1.00 73.54 H new ATOM 0 HA PHE A 6 0.185 7.132 7.123 1.00 33.32 H new ATOM 0 HB2 PHE A 6 2.298 7.805 6.344 1.00 63.11 H new ATOM 0 HB3 PHE A 6 1.628 8.845 5.103 1.00 63.11 H new ATOM 0 HD1 PHE A 6 0.572 11.034 5.769 1.00 20.12 H new ATOM 0 HD2 PHE A 6 2.750 8.633 8.534 1.00 61.34 H new ATOM 0 HE1 PHE A 6 0.808 12.970 7.261 1.00 55.33 H new ATOM 0 HE2 PHE A 6 2.989 10.570 10.027 1.00 12.34 H new ATOM 0 HZ PHE A 6 2.017 12.742 9.393 1.00 21.40 H new ATOM 92 N LYS A 7 -1.333 9.537 5.439 1.00 24.34 N ATOM 93 CA LYS A 7 -2.380 10.546 5.526 1.00 45.34 C ATOM 94 C LYS A 7 -3.753 9.897 5.657 1.00 3.43 C ATOM 95 O LYS A 7 -4.677 10.485 6.219 1.00 64.24 O ATOM 96 CB LYS A 7 -2.348 11.451 4.292 1.00 40.32 C ATOM 97 CG LYS A 7 -1.486 12.689 4.467 1.00 63.33 C ATOM 98 CD LYS A 7 -2.079 13.642 5.492 1.00 20.53 C ATOM 99 CE LYS A 7 -3.430 14.176 5.040 1.00 22.21 C ATOM 100 NZ LYS A 7 -4.534 13.711 5.923 1.00 71.20 N ATOM 0 H LYS A 7 -0.928 9.430 4.509 1.00 24.34 H new ATOM 0 HA LYS A 7 -2.196 11.148 6.416 1.00 45.34 H new ATOM 0 HB2 LYS A 7 -1.978 10.878 3.442 1.00 40.32 H new ATOM 0 HB3 LYS A 7 -3.366 11.758 4.051 1.00 40.32 H new ATOM 0 HG2 LYS A 7 -0.484 12.395 4.780 1.00 63.33 H new ATOM 0 HG3 LYS A 7 -1.384 13.200 3.510 1.00 63.33 H new ATOM 0 HD2 LYS A 7 -2.191 13.128 6.447 1.00 20.53 H new ATOM 0 HD3 LYS A 7 -1.394 14.474 5.656 1.00 20.53 H new ATOM 0 HE2 LYS A 7 -3.406 15.266 5.032 1.00 22.21 H new ATOM 0 HE3 LYS A 7 -3.624 13.854 4.017 1.00 22.21 H new ATOM 0 HZ1 LYS A 7 -5.446 14.026 5.534 1.00 71.20 H new ATOM 0 HZ2 LYS A 7 -4.521 12.673 5.978 1.00 71.20 H new ATOM 0 HZ3 LYS A 7 -4.408 14.109 6.875 1.00 71.20 H new ATOM 114 N GLU A 8 -3.879 8.679 5.139 1.00 74.54 N ATOM 115 CA GLU A 8 -5.140 7.950 5.199 1.00 32.14 C ATOM 116 C GLU A 8 -5.463 7.540 6.633 1.00 34.52 C ATOM 117 O GLU A 8 -6.607 7.644 7.077 1.00 34.14 O ATOM 118 CB GLU A 8 -5.082 6.711 4.303 1.00 14.41 C ATOM 119 CG GLU A 8 -6.413 5.988 4.177 1.00 74.15 C ATOM 120 CD GLU A 8 -7.086 6.235 2.841 1.00 54.01 C ATOM 121 OE1 GLU A 8 -7.315 7.414 2.499 1.00 12.31 O ATOM 122 OE2 GLU A 8 -7.385 5.248 2.135 1.00 44.41 O ATOM 0 H GLU A 8 -3.123 8.177 4.673 1.00 74.54 H new ATOM 0 HA GLU A 8 -5.930 8.611 4.841 1.00 32.14 H new ATOM 0 HB2 GLU A 8 -4.743 7.007 3.310 1.00 14.41 H new ATOM 0 HB3 GLU A 8 -4.339 6.020 4.701 1.00 14.41 H new ATOM 0 HG2 GLU A 8 -6.255 4.917 4.308 1.00 74.15 H new ATOM 0 HG3 GLU A 8 -7.076 6.312 4.979 1.00 74.15 H new ATOM 129 N ILE A 9 -4.447 7.074 7.351 1.00 4.14 N ATOM 130 CA ILE A 9 -4.622 6.649 8.735 1.00 73.33 C ATOM 131 C ILE A 9 -4.934 7.836 9.639 1.00 14.33 C ATOM 132 O ILE A 9 -5.526 7.677 10.708 1.00 23.31 O ATOM 133 CB ILE A 9 -3.368 5.929 9.266 1.00 73.35 C ATOM 134 CG1 ILE A 9 -3.138 4.626 8.498 1.00 30.43 C ATOM 135 CG2 ILE A 9 -3.505 5.656 10.755 1.00 2.33 C ATOM 136 CD1 ILE A 9 -4.208 3.584 8.743 1.00 71.11 C ATOM 0 H ILE A 9 -3.495 6.981 6.998 1.00 4.14 H new ATOM 0 HA ILE A 9 -5.462 5.955 8.748 1.00 73.33 H new ATOM 0 HB ILE A 9 -2.504 6.575 9.114 1.00 73.35 H new ATOM 0 HG12 ILE A 9 -3.093 4.845 7.431 1.00 30.43 H new ATOM 0 HG13 ILE A 9 -2.169 4.214 8.780 1.00 30.43 H new ATOM 0 HG21 ILE A 9 -2.611 5.147 11.115 1.00 2.33 H new ATOM 0 HG22 ILE A 9 -3.625 6.599 11.288 1.00 2.33 H new ATOM 0 HG23 ILE A 9 -4.377 5.026 10.931 1.00 2.33 H new ATOM 0 HD11 ILE A 9 -3.981 2.687 8.167 1.00 71.11 H new ATOM 0 HD12 ILE A 9 -4.238 3.336 9.804 1.00 71.11 H new ATOM 0 HD13 ILE A 9 -5.177 3.978 8.435 1.00 71.11 H new ATOM 148 N ASP A 10 -4.535 9.026 9.203 1.00 50.50 N ATOM 149 CA ASP A 10 -4.774 10.242 9.972 1.00 13.35 C ATOM 150 C ASP A 10 -6.244 10.647 9.904 1.00 75.10 C ATOM 151 O ASP A 10 -6.606 11.589 9.198 1.00 72.22 O ATOM 152 CB ASP A 10 -3.894 11.379 9.455 1.00 41.34 C ATOM 153 CG ASP A 10 -2.556 11.443 10.166 1.00 73.35 C ATOM 154 OD1 ASP A 10 -2.291 10.565 11.013 1.00 70.43 O ATOM 155 OD2 ASP A 10 -1.773 12.373 9.874 1.00 3.02 O ATOM 0 H ASP A 10 -4.045 9.174 8.321 1.00 50.50 H new ATOM 0 HA ASP A 10 -4.519 10.041 11.012 1.00 13.35 H new ATOM 0 HB2 ASP A 10 -3.728 11.249 8.386 1.00 41.34 H new ATOM 0 HB3 ASP A 10 -4.417 12.327 9.584 1.00 41.34 H new ATOM 160 N VAL A 11 -7.086 9.929 10.640 1.00 71.24 N ATOM 161 CA VAL A 11 -8.515 10.215 10.662 1.00 14.25 C ATOM 162 C VAL A 11 -8.788 11.619 11.190 1.00 23.02 C ATOM 163 O VAL A 11 -9.872 12.167 10.995 1.00 32.24 O ATOM 164 CB VAL A 11 -9.278 9.196 11.529 1.00 4.15 C ATOM 165 CG1 VAL A 11 -10.780 9.377 11.372 1.00 62.33 C ATOM 166 CG2 VAL A 11 -8.863 7.777 11.171 1.00 10.44 C ATOM 0 H VAL A 11 -6.803 9.145 11.229 1.00 71.24 H new ATOM 0 HA VAL A 11 -8.867 10.142 9.633 1.00 14.25 H new ATOM 0 HB VAL A 11 -9.024 9.372 12.574 1.00 4.15 H new ATOM 0 HG11 VAL A 11 -11.301 8.648 11.992 1.00 62.33 H new ATOM 0 HG12 VAL A 11 -11.060 10.384 11.683 1.00 62.33 H new ATOM 0 HG13 VAL A 11 -11.057 9.229 10.328 1.00 62.33 H new ATOM 0 HG21 VAL A 11 -9.412 7.070 11.793 1.00 10.44 H new ATOM 0 HG22 VAL A 11 -9.086 7.586 10.121 1.00 10.44 H new ATOM 0 HG23 VAL A 11 -7.793 7.657 11.342 1.00 10.44 H new ATOM 176 N ASN A 12 -7.796 12.195 11.861 1.00 72.43 N ATOM 177 CA ASN A 12 -7.928 13.537 12.417 1.00 4.12 C ATOM 178 C ASN A 12 -7.518 14.594 11.396 1.00 24.34 C ATOM 179 O ASN A 12 -7.578 15.792 11.668 1.00 24.11 O ATOM 180 CB ASN A 12 -7.074 13.674 13.680 1.00 31.12 C ATOM 181 CG ASN A 12 -5.822 12.821 13.626 1.00 60.21 C ATOM 182 OD1 ASN A 12 -5.499 12.111 14.579 1.00 11.12 O ATOM 183 ND2 ASN A 12 -5.108 12.887 12.508 1.00 12.44 N ATOM 0 H ASN A 12 -6.892 11.754 12.033 1.00 72.43 H new ATOM 0 HA ASN A 12 -8.975 13.694 12.674 1.00 4.12 H new ATOM 0 HB2 ASN A 12 -6.793 14.719 13.814 1.00 31.12 H new ATOM 0 HB3 ASN A 12 -7.667 13.389 14.549 1.00 31.12 H new ATOM 0 HD22 ASN A 12 -5.413 13.489 11.743 1.00 12.44 H new ATOM 190 N GLY A 13 -7.101 14.139 10.217 1.00 13.43 N ATOM 191 CA GLY A 13 -6.688 15.057 9.172 1.00 44.22 C ATOM 192 C GLY A 13 -5.683 16.080 9.664 1.00 20.33 C ATOM 193 O GLY A 13 -5.824 17.275 9.402 1.00 1.31 O ATOM 0 H GLY A 13 -7.042 13.152 9.968 1.00 13.43 H new ATOM 0 HA2 GLY A 13 -6.253 14.492 8.347 1.00 44.22 H new ATOM 0 HA3 GLY A 13 -7.564 15.573 8.778 1.00 44.22 H new ATOM 197 N ASP A 14 -4.666 15.612 10.378 1.00 22.00 N ATOM 198 CA ASP A 14 -3.633 16.494 10.908 1.00 0.31 C ATOM 199 C ASP A 14 -2.340 16.357 10.111 1.00 64.34 C ATOM 200 O ASP A 14 -1.448 17.200 10.205 1.00 53.04 O ATOM 201 CB ASP A 14 -3.373 16.183 12.383 1.00 15.11 C ATOM 202 CG ASP A 14 -2.868 14.769 12.596 1.00 64.53 C ATOM 203 OD1 ASP A 14 -2.805 14.007 11.608 1.00 5.00 O ATOM 204 OD2 ASP A 14 -2.535 14.424 13.749 1.00 52.54 O ATOM 0 H ASP A 14 -4.535 14.626 10.603 1.00 22.00 H new ATOM 0 HA ASP A 14 -3.987 17.521 10.819 1.00 0.31 H new ATOM 0 HB2 ASP A 14 -2.643 16.890 12.777 1.00 15.11 H new ATOM 0 HB3 ASP A 14 -4.293 16.326 12.949 1.00 15.11 H new ATOM 209 N GLY A 15 -2.244 15.288 9.327 1.00 34.43 N ATOM 210 CA GLY A 15 -1.056 15.060 8.525 1.00 4.51 C ATOM 211 C GLY A 15 0.164 14.755 9.371 1.00 45.53 C ATOM 212 O GLY A 15 1.295 14.836 8.894 1.00 61.55 O ATOM 0 H GLY A 15 -2.968 14.575 9.233 1.00 34.43 H new ATOM 0 HA2 GLY A 15 -1.237 14.231 7.841 1.00 4.51 H new ATOM 0 HA3 GLY A 15 -0.860 15.941 7.913 1.00 4.51 H new ATOM 216 N ALA A 16 -0.064 14.406 10.633 1.00 54.42 N ATOM 217 CA ALA A 16 1.025 14.089 11.547 1.00 1.45 C ATOM 218 C ALA A 16 0.727 12.819 12.337 1.00 51.44 C ATOM 219 O ALA A 16 -0.391 12.621 12.815 1.00 23.23 O ATOM 220 CB ALA A 16 1.276 15.254 12.493 1.00 43.02 C ATOM 0 H ALA A 16 -0.994 14.336 11.045 1.00 54.42 H new ATOM 0 HA ALA A 16 1.924 13.915 10.955 1.00 1.45 H new ATOM 0 HB1 ALA A 16 2.092 15.003 13.170 1.00 43.02 H new ATOM 0 HB2 ALA A 16 1.542 16.140 11.917 1.00 43.02 H new ATOM 0 HB3 ALA A 16 0.374 15.454 13.071 1.00 43.02 H new ATOM 226 N VAL A 17 1.733 11.961 12.472 1.00 21.41 N ATOM 227 CA VAL A 17 1.578 10.710 13.204 1.00 31.03 C ATOM 228 C VAL A 17 2.619 10.590 14.312 1.00 13.14 C ATOM 229 O VAL A 17 3.812 10.452 14.045 1.00 62.32 O ATOM 230 CB VAL A 17 1.698 9.493 12.268 1.00 61.20 C ATOM 231 CG1 VAL A 17 1.767 8.204 13.074 1.00 34.42 C ATOM 232 CG2 VAL A 17 0.535 9.458 11.288 1.00 70.40 C ATOM 0 H VAL A 17 2.664 12.110 12.084 1.00 21.41 H new ATOM 0 HA VAL A 17 0.581 10.722 13.645 1.00 31.03 H new ATOM 0 HB VAL A 17 2.622 9.585 11.697 1.00 61.20 H new ATOM 0 HG11 VAL A 17 1.852 7.355 12.396 1.00 34.42 H new ATOM 0 HG12 VAL A 17 2.636 8.232 13.731 1.00 34.42 H new ATOM 0 HG13 VAL A 17 0.863 8.101 13.673 1.00 34.42 H new ATOM 0 HG21 VAL A 17 0.636 8.592 10.634 1.00 70.40 H new ATOM 0 HG22 VAL A 17 -0.403 9.390 11.839 1.00 70.40 H new ATOM 0 HG23 VAL A 17 0.538 10.368 10.688 1.00 70.40 H new ATOM 242 N SER A 18 2.157 10.641 15.558 1.00 54.15 N ATOM 243 CA SER A 18 3.048 10.542 16.708 1.00 31.05 C ATOM 244 C SER A 18 3.351 9.082 17.036 1.00 14.11 C ATOM 245 O SER A 18 2.804 8.169 16.416 1.00 12.22 O ATOM 246 CB SER A 18 2.425 11.231 17.923 1.00 62.42 C ATOM 247 OG SER A 18 1.062 11.540 17.691 1.00 24.10 O ATOM 0 H SER A 18 1.171 10.750 15.796 1.00 54.15 H new ATOM 0 HA SER A 18 3.984 11.042 16.456 1.00 31.05 H new ATOM 0 HB2 SER A 18 2.511 10.584 18.796 1.00 62.42 H new ATOM 0 HB3 SER A 18 2.975 12.145 18.149 1.00 62.42 H new ATOM 0 HG SER A 18 0.686 11.978 18.483 1.00 24.10 H new ATOM 253 N TYR A 19 4.224 8.871 18.014 1.00 61.32 N ATOM 254 CA TYR A 19 4.602 7.524 18.424 1.00 75.10 C ATOM 255 C TYR A 19 3.367 6.656 18.648 1.00 63.04 C ATOM 256 O TYR A 19 3.305 5.517 18.189 1.00 73.11 O ATOM 257 CB TYR A 19 5.443 7.573 19.700 1.00 53.22 C ATOM 258 CG TYR A 19 4.743 8.244 20.861 1.00 21.35 C ATOM 259 CD1 TYR A 19 4.726 9.628 20.982 1.00 13.14 C ATOM 260 CD2 TYR A 19 4.099 7.492 21.836 1.00 51.10 C ATOM 261 CE1 TYR A 19 4.088 10.244 22.042 1.00 30.41 C ATOM 262 CE2 TYR A 19 3.457 8.100 22.897 1.00 1.42 C ATOM 263 CZ TYR A 19 3.455 9.476 22.996 1.00 1.12 C ATOM 264 OH TYR A 19 2.818 10.085 24.053 1.00 11.12 O ATOM 0 H TYR A 19 4.684 9.616 18.538 1.00 61.32 H new ATOM 0 HA TYR A 19 5.195 7.081 17.624 1.00 75.10 H new ATOM 0 HB2 TYR A 19 5.712 6.557 19.987 1.00 53.22 H new ATOM 0 HB3 TYR A 19 6.373 8.102 19.492 1.00 53.22 H new ATOM 0 HD1 TYR A 19 5.220 10.232 20.235 1.00 13.14 H new ATOM 0 HD2 TYR A 19 4.101 6.414 21.763 1.00 51.10 H new ATOM 0 HE1 TYR A 19 4.085 11.321 22.123 1.00 30.41 H new ATOM 0 HE2 TYR A 19 2.959 7.501 23.645 1.00 1.42 H new ATOM 0 HH TYR A 19 2.422 9.402 24.634 1.00 11.12 H new ATOM 274 N GLU A 20 2.386 7.207 19.358 1.00 23.24 N ATOM 275 CA GLU A 20 1.153 6.483 19.644 1.00 3.02 C ATOM 276 C GLU A 20 0.436 6.098 18.353 1.00 25.32 C ATOM 277 O GLU A 20 0.047 4.945 18.169 1.00 12.33 O ATOM 278 CB GLU A 20 0.230 7.332 20.520 1.00 54.13 C ATOM 279 CG GLU A 20 0.285 6.971 21.994 1.00 31.11 C ATOM 280 CD GLU A 20 -1.092 6.822 22.610 1.00 12.43 C ATOM 281 OE1 GLU A 20 -2.007 7.569 22.205 1.00 33.32 O ATOM 282 OE2 GLU A 20 -1.255 5.960 23.499 1.00 30.24 O ATOM 0 H GLU A 20 2.422 8.150 19.745 1.00 23.24 H new ATOM 0 HA GLU A 20 1.413 5.570 20.180 1.00 3.02 H new ATOM 0 HB2 GLU A 20 0.497 8.382 20.402 1.00 54.13 H new ATOM 0 HB3 GLU A 20 -0.795 7.222 20.166 1.00 54.13 H new ATOM 0 HG2 GLU A 20 0.836 6.038 22.115 1.00 31.11 H new ATOM 0 HG3 GLU A 20 0.838 7.741 22.532 1.00 31.11 H new ATOM 289 N GLU A 21 0.267 7.071 17.464 1.00 63.30 N ATOM 290 CA GLU A 21 -0.403 6.834 16.191 1.00 14.23 C ATOM 291 C GLU A 21 0.287 5.719 15.412 1.00 33.05 C ATOM 292 O GLU A 21 -0.367 4.905 14.758 1.00 63.21 O ATOM 293 CB GLU A 21 -0.428 8.115 15.355 1.00 43.03 C ATOM 294 CG GLU A 21 -1.614 9.015 15.656 1.00 42.32 C ATOM 295 CD GLU A 21 -2.192 9.656 14.409 1.00 41.33 C ATOM 296 OE1 GLU A 21 -1.701 10.735 14.015 1.00 23.11 O ATOM 297 OE2 GLU A 21 -3.134 9.079 13.828 1.00 53.12 O ATOM 0 H GLU A 21 0.585 8.030 17.602 1.00 63.30 H new ATOM 0 HA GLU A 21 -1.427 6.527 16.402 1.00 14.23 H new ATOM 0 HB2 GLU A 21 0.493 8.671 15.530 1.00 43.03 H new ATOM 0 HB3 GLU A 21 -0.444 7.849 14.298 1.00 43.03 H new ATOM 0 HG2 GLU A 21 -2.390 8.433 16.154 1.00 42.32 H new ATOM 0 HG3 GLU A 21 -1.306 9.796 16.351 1.00 42.32 H new ATOM 304 N VAL A 22 1.613 5.687 15.485 1.00 65.31 N ATOM 305 CA VAL A 22 2.394 4.672 14.788 1.00 64.11 C ATOM 306 C VAL A 22 2.085 3.277 15.322 1.00 72.24 C ATOM 307 O VAL A 22 1.722 2.377 14.566 1.00 64.23 O ATOM 308 CB VAL A 22 3.906 4.937 14.920 1.00 54.50 C ATOM 309 CG1 VAL A 22 4.704 3.749 14.404 1.00 4.32 C ATOM 310 CG2 VAL A 22 4.291 6.209 14.181 1.00 15.42 C ATOM 0 H VAL A 22 2.170 6.353 16.020 1.00 65.31 H new ATOM 0 HA VAL A 22 2.114 4.725 13.736 1.00 64.11 H new ATOM 0 HB VAL A 22 4.142 5.072 15.976 1.00 54.50 H new ATOM 0 HG11 VAL A 22 5.770 3.955 14.505 1.00 4.32 H new ATOM 0 HG12 VAL A 22 4.449 2.861 14.982 1.00 4.32 H new ATOM 0 HG13 VAL A 22 4.466 3.579 13.354 1.00 4.32 H new ATOM 0 HG21 VAL A 22 5.362 6.380 14.285 1.00 15.42 H new ATOM 0 HG22 VAL A 22 4.041 6.106 13.125 1.00 15.42 H new ATOM 0 HG23 VAL A 22 3.746 7.054 14.602 1.00 15.42 H new ATOM 320 N LYS A 23 2.231 3.106 16.632 1.00 53.11 N ATOM 321 CA LYS A 23 1.967 1.822 17.270 1.00 0.41 C ATOM 322 C LYS A 23 0.558 1.334 16.946 1.00 52.52 C ATOM 323 O LYS A 23 0.335 0.140 16.748 1.00 54.41 O ATOM 324 CB LYS A 23 2.142 1.937 18.786 1.00 41.12 C ATOM 325 CG LYS A 23 3.328 1.152 19.321 1.00 12.23 C ATOM 326 CD LYS A 23 3.019 -0.334 19.406 1.00 3.21 C ATOM 327 CE LYS A 23 1.959 -0.624 20.457 1.00 55.35 C ATOM 328 NZ LYS A 23 2.529 -1.321 21.644 1.00 71.12 N ATOM 0 H LYS A 23 2.531 3.841 17.272 1.00 53.11 H new ATOM 0 HA LYS A 23 2.683 1.097 16.882 1.00 0.41 H new ATOM 0 HB2 LYS A 23 2.262 2.987 19.051 1.00 41.12 H new ATOM 0 HB3 LYS A 23 1.234 1.587 19.276 1.00 41.12 H new ATOM 0 HG2 LYS A 23 4.191 1.309 18.674 1.00 12.23 H new ATOM 0 HG3 LYS A 23 3.598 1.526 20.309 1.00 12.23 H new ATOM 0 HD2 LYS A 23 2.677 -0.692 18.435 1.00 3.21 H new ATOM 0 HD3 LYS A 23 3.930 -0.883 19.645 1.00 3.21 H new ATOM 0 HE2 LYS A 23 1.496 0.311 20.773 1.00 55.35 H new ATOM 0 HE3 LYS A 23 1.172 -1.238 20.019 1.00 55.35 H new ATOM 0 HZ1 LYS A 23 1.844 -2.018 21.999 1.00 71.12 H new ATOM 0 HZ2 LYS A 23 3.408 -1.806 21.373 1.00 71.12 H new ATOM 0 HZ3 LYS A 23 2.733 -0.626 22.390 1.00 71.12 H new ATOM 342 N ALA A 24 -0.388 2.266 16.894 1.00 55.00 N ATOM 343 CA ALA A 24 -1.774 1.931 16.591 1.00 32.02 C ATOM 344 C ALA A 24 -1.924 1.463 15.147 1.00 61.44 C ATOM 345 O ALA A 24 -2.647 0.508 14.864 1.00 52.42 O ATOM 346 CB ALA A 24 -2.677 3.126 16.856 1.00 11.42 C ATOM 0 H ALA A 24 -0.220 3.259 17.058 1.00 55.00 H new ATOM 0 HA ALA A 24 -2.073 1.111 17.244 1.00 32.02 H new ATOM 0 HB1 ALA A 24 -3.709 2.861 16.625 1.00 11.42 H new ATOM 0 HB2 ALA A 24 -2.602 3.413 17.905 1.00 11.42 H new ATOM 0 HB3 ALA A 24 -2.368 3.962 16.228 1.00 11.42 H new ATOM 352 N PHE A 25 -1.235 2.143 14.236 1.00 31.13 N ATOM 353 CA PHE A 25 -1.292 1.798 12.820 1.00 65.14 C ATOM 354 C PHE A 25 -0.998 0.316 12.609 1.00 3.13 C ATOM 355 O PHE A 25 -1.760 -0.393 11.952 1.00 53.01 O ATOM 356 CB PHE A 25 -0.295 2.646 12.027 1.00 71.00 C ATOM 357 CG PHE A 25 -0.435 2.499 10.539 1.00 75.41 C ATOM 358 CD1 PHE A 25 -1.513 1.820 9.994 1.00 13.21 C ATOM 359 CD2 PHE A 25 0.511 3.040 9.683 1.00 43.14 C ATOM 360 CE1 PHE A 25 -1.645 1.683 8.625 1.00 65.22 C ATOM 361 CE2 PHE A 25 0.386 2.908 8.313 1.00 1.43 C ATOM 362 CZ PHE A 25 -0.694 2.228 7.784 1.00 74.34 C ATOM 0 H PHE A 25 -0.631 2.936 14.453 1.00 31.13 H new ATOM 0 HA PHE A 25 -2.300 2.004 12.461 1.00 65.14 H new ATOM 0 HB2 PHE A 25 -0.428 3.694 12.295 1.00 71.00 H new ATOM 0 HB3 PHE A 25 0.718 2.369 12.318 1.00 71.00 H new ATOM 0 HD1 PHE A 25 -2.259 1.392 10.647 1.00 13.21 H new ATOM 0 HD2 PHE A 25 1.357 3.572 10.092 1.00 43.14 H new ATOM 0 HE1 PHE A 25 -2.490 1.151 8.213 1.00 65.22 H new ATOM 0 HE2 PHE A 25 1.131 3.335 7.658 1.00 1.43 H new ATOM 0 HZ PHE A 25 -0.795 2.123 6.714 1.00 74.34 H new ATOM 372 N VAL A 26 0.115 -0.146 13.172 1.00 34.02 N ATOM 373 CA VAL A 26 0.511 -1.544 13.046 1.00 21.04 C ATOM 374 C VAL A 26 -0.420 -2.452 13.842 1.00 23.15 C ATOM 375 O VAL A 26 -0.627 -3.611 13.484 1.00 12.25 O ATOM 376 CB VAL A 26 1.958 -1.762 13.526 1.00 61.31 C ATOM 377 CG1 VAL A 26 1.980 -2.155 14.996 1.00 33.02 C ATOM 378 CG2 VAL A 26 2.648 -2.816 12.674 1.00 72.32 C ATOM 0 H VAL A 26 0.757 0.427 13.719 1.00 34.02 H new ATOM 0 HA VAL A 26 0.445 -1.799 11.988 1.00 21.04 H new ATOM 0 HB VAL A 26 2.504 -0.825 13.417 1.00 61.31 H new ATOM 0 HG11 VAL A 26 3.011 -2.305 15.317 1.00 33.02 H new ATOM 0 HG12 VAL A 26 1.526 -1.363 15.591 1.00 33.02 H new ATOM 0 HG13 VAL A 26 1.419 -3.079 15.134 1.00 33.02 H new ATOM 0 HG21 VAL A 26 3.670 -2.958 13.027 1.00 72.32 H new ATOM 0 HG22 VAL A 26 2.104 -3.758 12.749 1.00 72.32 H new ATOM 0 HG23 VAL A 26 2.665 -2.489 11.634 1.00 72.32 H new ATOM 388 N SER A 27 -0.977 -1.918 14.923 1.00 11.20 N ATOM 389 CA SER A 27 -1.884 -2.682 15.773 1.00 54.23 C ATOM 390 C SER A 27 -3.151 -3.061 15.012 1.00 11.21 C ATOM 391 O SER A 27 -3.838 -4.020 15.366 1.00 53.35 O ATOM 392 CB SER A 27 -2.247 -1.875 17.022 1.00 33.44 C ATOM 393 OG SER A 27 -1.423 -2.232 18.116 1.00 3.15 O ATOM 0 H SER A 27 -0.817 -0.959 15.232 1.00 11.20 H new ATOM 0 HA SER A 27 -1.375 -3.597 16.076 1.00 54.23 H new ATOM 0 HB2 SER A 27 -2.140 -0.810 16.815 1.00 33.44 H new ATOM 0 HB3 SER A 27 -3.292 -2.047 17.279 1.00 33.44 H new ATOM 0 HG SER A 27 -1.673 -1.702 18.901 1.00 3.15 H new ATOM 399 N LYS A 28 -3.454 -2.302 13.965 1.00 73.15 N ATOM 400 CA LYS A 28 -4.638 -2.557 13.151 1.00 24.31 C ATOM 401 C LYS A 28 -4.448 -3.802 12.292 1.00 73.11 C ATOM 402 O LYS A 28 -5.383 -4.268 11.640 1.00 20.01 O ATOM 403 CB LYS A 28 -4.939 -1.350 12.259 1.00 44.42 C ATOM 404 CG LYS A 28 -5.540 -0.174 13.011 1.00 71.12 C ATOM 405 CD LYS A 28 -6.925 -0.502 13.543 1.00 74.34 C ATOM 406 CE LYS A 28 -7.896 -0.812 12.414 1.00 14.02 C ATOM 407 NZ LYS A 28 -9.281 -0.367 12.736 1.00 61.54 N ATOM 0 H LYS A 28 -2.896 -1.505 13.659 1.00 73.15 H new ATOM 0 HA LYS A 28 -5.481 -2.724 13.822 1.00 24.31 H new ATOM 0 HB2 LYS A 28 -4.017 -1.028 11.774 1.00 44.42 H new ATOM 0 HB3 LYS A 28 -5.625 -1.655 11.469 1.00 44.42 H new ATOM 0 HG2 LYS A 28 -4.887 0.102 13.839 1.00 71.12 H new ATOM 0 HG3 LYS A 28 -5.598 0.690 12.350 1.00 71.12 H new ATOM 0 HD2 LYS A 28 -6.864 -1.356 14.217 1.00 74.34 H new ATOM 0 HD3 LYS A 28 -7.300 0.339 14.127 1.00 74.34 H new ATOM 0 HE2 LYS A 28 -7.560 -0.321 11.501 1.00 14.02 H new ATOM 0 HE3 LYS A 28 -7.895 -1.884 12.218 1.00 14.02 H new ATOM 0 HZ1 LYS A 28 -9.913 -0.596 11.942 1.00 61.54 H new ATOM 0 HZ2 LYS A 28 -9.612 -0.854 13.593 1.00 61.54 H new ATOM 0 HZ3 LYS A 28 -9.287 0.660 12.898 1.00 61.54 H new ATOM 421 N LYS A 29 -3.233 -4.338 12.295 1.00 23.35 N ATOM 422 CA LYS A 29 -2.920 -5.533 11.518 1.00 54.32 C ATOM 423 C LYS A 29 -2.729 -6.741 12.430 1.00 74.24 C ATOM 424 O LYS A 29 -2.858 -7.886 11.994 1.00 51.35 O ATOM 425 CB LYS A 29 -1.658 -5.307 10.682 1.00 52.03 C ATOM 426 CG LYS A 29 -1.602 -3.939 10.024 1.00 71.11 C ATOM 427 CD LYS A 29 -2.851 -3.662 9.205 1.00 14.23 C ATOM 428 CE LYS A 29 -3.021 -4.679 8.086 1.00 45.53 C ATOM 429 NZ LYS A 29 -4.245 -4.416 7.280 1.00 33.15 N ATOM 0 H LYS A 29 -2.447 -3.964 12.827 1.00 23.35 H new ATOM 0 HA LYS A 29 -3.759 -5.732 10.851 1.00 54.32 H new ATOM 0 HB2 LYS A 29 -0.783 -5.430 11.320 1.00 52.03 H new ATOM 0 HB3 LYS A 29 -1.601 -6.075 9.910 1.00 52.03 H new ATOM 0 HG2 LYS A 29 -1.490 -3.171 10.789 1.00 71.11 H new ATOM 0 HG3 LYS A 29 -0.724 -3.879 9.381 1.00 71.11 H new ATOM 0 HD2 LYS A 29 -3.726 -3.685 9.855 1.00 14.23 H new ATOM 0 HD3 LYS A 29 -2.795 -2.659 8.781 1.00 14.23 H new ATOM 0 HE2 LYS A 29 -2.146 -4.654 7.436 1.00 45.53 H new ATOM 0 HE3 LYS A 29 -3.074 -5.681 8.511 1.00 45.53 H new ATOM 0 HZ1 LYS A 29 -4.326 -5.130 6.528 1.00 33.15 H new ATOM 0 HZ2 LYS A 29 -5.083 -4.465 7.895 1.00 33.15 H new ATOM 0 HZ3 LYS A 29 -4.183 -3.469 6.854 1.00 33.15 H new ATOM 443 N ARG A 30 -2.423 -6.478 13.696 1.00 70.31 N ATOM 444 CA ARG A 30 -2.214 -7.545 14.668 1.00 35.21 C ATOM 445 C ARG A 30 -1.974 -6.970 16.061 1.00 22.20 C ATOM 446 O ARG A 30 -2.082 -5.764 16.273 1.00 42.15 O ATOM 447 CB ARG A 30 -1.031 -8.418 14.253 1.00 25.41 C ATOM 448 CG ARG A 30 0.242 -7.632 13.980 1.00 11.11 C ATOM 449 CD ARG A 30 0.896 -8.063 12.678 1.00 34.42 C ATOM 450 NE ARG A 30 0.985 -9.517 12.565 1.00 4.31 N ATOM 451 CZ ARG A 30 1.159 -10.156 11.414 1.00 63.13 C ATOM 452 NH1 ARG A 30 1.263 -9.472 10.282 1.00 5.44 N ATOM 453 NH2 ARG A 30 1.231 -11.480 11.393 1.00 33.21 N ATOM 0 H ARG A 30 -2.314 -5.536 14.073 1.00 70.31 H new ATOM 0 HA ARG A 30 -3.115 -8.158 14.697 1.00 35.21 H new ATOM 0 HB2 ARG A 30 -0.836 -9.147 15.039 1.00 25.41 H new ATOM 0 HB3 ARG A 30 -1.301 -8.978 13.358 1.00 25.41 H new ATOM 0 HG2 ARG A 30 0.011 -6.568 13.937 1.00 11.11 H new ATOM 0 HG3 ARG A 30 0.942 -7.774 14.804 1.00 11.11 H new ATOM 0 HD2 ARG A 30 0.325 -7.668 11.838 1.00 34.42 H new ATOM 0 HD3 ARG A 30 1.895 -7.633 12.615 1.00 34.42 H new ATOM 0 HE ARG A 30 0.909 -10.072 13.417 1.00 4.31 H new ATOM 0 HH11 ARG A 30 1.209 -8.453 10.295 1.00 5.44 H new ATOM 0 HH12 ARG A 30 1.397 -9.965 9.399 1.00 5.44 H new ATOM 0 HH21 ARG A 30 1.153 -12.009 12.262 1.00 33.21 H new ATOM 0 HH22 ARG A 30 1.365 -11.970 10.508 1.00 33.21 H new ATOM 467 N ALA A 31 -1.646 -7.845 17.007 1.00 13.33 N ATOM 468 CA ALA A 31 -1.388 -7.425 18.378 1.00 43.41 C ATOM 469 C ALA A 31 0.065 -7.675 18.765 1.00 2.30 C ATOM 470 O ALA A 31 0.424 -8.775 19.188 1.00 73.31 O ATOM 471 CB ALA A 31 -2.324 -8.148 19.337 1.00 64.32 C ATOM 0 H ALA A 31 -1.553 -8.848 16.848 1.00 13.33 H new ATOM 0 HA ALA A 31 -1.575 -6.353 18.444 1.00 43.41 H new ATOM 0 HB1 ALA A 31 -2.120 -7.824 20.358 1.00 64.32 H new ATOM 0 HB2 ALA A 31 -3.358 -7.914 19.082 1.00 64.32 H new ATOM 0 HB3 ALA A 31 -2.165 -9.224 19.259 1.00 64.32 H new ATOM 477 N ILE A 32 0.897 -6.650 18.619 1.00 74.55 N ATOM 478 CA ILE A 32 2.312 -6.760 18.953 1.00 73.25 C ATOM 479 C ILE A 32 2.775 -5.566 19.780 1.00 10.20 C ATOM 480 O ILE A 32 3.008 -4.480 19.249 1.00 61.32 O ATOM 481 CB ILE A 32 3.182 -6.861 17.686 1.00 25.44 C ATOM 482 CG1 ILE A 32 2.781 -5.785 16.676 1.00 21.23 C ATOM 483 CG2 ILE A 32 3.060 -8.247 17.070 1.00 22.20 C ATOM 484 CD1 ILE A 32 3.960 -5.071 16.053 1.00 72.01 C ATOM 0 H ILE A 32 0.616 -5.733 18.271 1.00 74.55 H new ATOM 0 HA ILE A 32 2.429 -7.672 19.538 1.00 73.25 H new ATOM 0 HB ILE A 32 4.223 -6.698 17.965 1.00 25.44 H new ATOM 0 HG12 ILE A 32 2.186 -6.243 15.886 1.00 21.23 H new ATOM 0 HG13 ILE A 32 2.144 -5.053 17.171 1.00 21.23 H new ATOM 0 HG21 ILE A 32 3.680 -8.303 16.175 1.00 22.20 H new ATOM 0 HG22 ILE A 32 3.392 -8.995 17.790 1.00 22.20 H new ATOM 0 HG23 ILE A 32 2.020 -8.436 16.803 1.00 22.20 H new ATOM 0 HD11 ILE A 32 3.600 -4.322 15.347 1.00 72.01 H new ATOM 0 HD12 ILE A 32 4.544 -4.583 16.834 1.00 72.01 H new ATOM 0 HD13 ILE A 32 4.587 -5.792 15.528 1.00 72.01 H new ATOM 496 N LYS A 33 2.909 -5.774 21.085 1.00 23.14 N ATOM 497 CA LYS A 33 3.348 -4.718 21.989 1.00 75.32 C ATOM 498 C LYS A 33 4.869 -4.604 21.994 1.00 4.52 C ATOM 499 O LYS A 33 5.560 -5.430 22.589 1.00 35.31 O ATOM 500 CB LYS A 33 2.841 -4.986 23.407 1.00 11.15 C ATOM 501 CG LYS A 33 3.185 -6.373 23.923 1.00 14.14 C ATOM 502 CD LYS A 33 1.940 -7.137 24.342 1.00 54.25 C ATOM 503 CE LYS A 33 1.572 -6.852 25.790 1.00 2.21 C ATOM 504 NZ LYS A 33 0.576 -7.828 26.312 1.00 21.13 N ATOM 0 H LYS A 33 2.719 -6.666 21.541 1.00 23.14 H new ATOM 0 HA LYS A 33 2.931 -3.775 21.634 1.00 75.32 H new ATOM 0 HB2 LYS A 33 3.263 -4.241 24.082 1.00 11.15 H new ATOM 0 HB3 LYS A 33 1.759 -4.858 23.427 1.00 11.15 H new ATOM 0 HG2 LYS A 33 3.711 -6.930 23.148 1.00 14.14 H new ATOM 0 HG3 LYS A 33 3.864 -6.288 24.772 1.00 14.14 H new ATOM 0 HD2 LYS A 33 1.108 -6.863 23.693 1.00 54.25 H new ATOM 0 HD3 LYS A 33 2.107 -8.206 24.212 1.00 54.25 H new ATOM 0 HE2 LYS A 33 2.470 -6.885 26.406 1.00 2.21 H new ATOM 0 HE3 LYS A 33 1.168 -5.843 25.870 1.00 2.21 H new ATOM 0 HZ1 LYS A 33 0.352 -7.599 27.301 1.00 21.13 H new ATOM 0 HZ2 LYS A 33 -0.291 -7.779 25.740 1.00 21.13 H new ATOM 0 HZ3 LYS A 33 0.971 -8.789 26.260 1.00 21.13 H new ATOM 518 N ASN A 34 5.384 -3.574 21.331 1.00 42.25 N ATOM 519 CA ASN A 34 6.824 -3.351 21.261 1.00 4.14 C ATOM 520 C ASN A 34 7.186 -1.963 21.778 1.00 23.22 C ATOM 521 O ASN A 34 7.025 -0.967 21.074 1.00 62.10 O ATOM 522 CB ASN A 34 7.316 -3.517 19.822 1.00 61.25 C ATOM 523 CG ASN A 34 7.015 -4.894 19.262 1.00 32.42 C ATOM 524 OD1 ASN A 34 6.186 -4.942 18.226 1.00 73.32 O flip ATOM 525 ND2 ASN A 34 7.522 -5.902 19.756 1.00 24.22 N flip ATOM 0 H ASN A 34 4.826 -2.880 20.834 1.00 42.25 H new ATOM 0 HA ASN A 34 7.313 -4.092 21.893 1.00 4.14 H new ATOM 0 HB2 ASN A 34 6.848 -2.761 19.192 1.00 61.25 H new ATOM 0 HB3 ASN A 34 8.391 -3.340 19.786 1.00 61.25 H new ATOM 0 HD21 ASN A 34 8.154 -5.817 20.552 1.00 24.22 H new ATOM 0 HD22 ASN A 34 7.310 -6.822 19.369 1.00 24.22 H new ATOM 532 N GLU A 35 7.676 -1.906 23.013 1.00 35.51 N ATOM 533 CA GLU A 35 8.061 -0.640 23.623 1.00 40.52 C ATOM 534 C GLU A 35 9.376 -0.131 23.040 1.00 40.12 C ATOM 535 O GLU A 35 9.525 1.059 22.765 1.00 72.52 O ATOM 536 CB GLU A 35 8.190 -0.797 25.140 1.00 34.43 C ATOM 537 CG GLU A 35 7.084 -0.105 25.920 1.00 25.24 C ATOM 538 CD GLU A 35 7.617 0.925 26.897 1.00 21.45 C ATOM 539 OE1 GLU A 35 8.625 0.634 27.574 1.00 0.32 O ATOM 540 OE2 GLU A 35 7.027 2.021 26.984 1.00 15.51 O ATOM 0 H GLU A 35 7.815 -2.722 23.609 1.00 35.51 H new ATOM 0 HA GLU A 35 7.281 0.090 23.405 1.00 40.52 H new ATOM 0 HB2 GLU A 35 8.189 -1.858 25.388 1.00 34.43 H new ATOM 0 HB3 GLU A 35 9.153 -0.396 25.458 1.00 34.43 H new ATOM 0 HG2 GLU A 35 6.401 0.380 25.223 1.00 25.24 H new ATOM 0 HG3 GLU A 35 6.506 -0.852 26.464 1.00 25.24 H new ATOM 547 N GLN A 36 10.326 -1.043 22.856 1.00 43.13 N ATOM 548 CA GLN A 36 11.630 -0.686 22.308 1.00 35.13 C ATOM 549 C GLN A 36 11.522 -0.351 20.824 1.00 71.10 C ATOM 550 O GLN A 36 12.020 0.681 20.372 1.00 12.01 O ATOM 551 CB GLN A 36 12.623 -1.831 22.513 1.00 30.00 C ATOM 552 CG GLN A 36 14.043 -1.363 22.788 1.00 14.13 C ATOM 553 CD GLN A 36 15.052 -1.966 21.831 1.00 15.41 C ATOM 554 OE1 GLN A 36 15.628 -1.267 20.996 1.00 3.32 O ATOM 555 NE2 GLN A 36 15.272 -3.271 21.948 1.00 74.44 N ATOM 0 H GLN A 36 10.218 -2.033 23.078 1.00 43.13 H new ATOM 0 HA GLN A 36 11.990 0.197 22.837 1.00 35.13 H new ATOM 0 HB2 GLN A 36 12.285 -2.449 23.345 1.00 30.00 H new ATOM 0 HB3 GLN A 36 12.623 -2.464 21.626 1.00 30.00 H new ATOM 0 HG2 GLN A 36 14.084 -0.276 22.715 1.00 14.13 H new ATOM 0 HG3 GLN A 36 14.316 -1.625 23.810 1.00 14.13 H new ATOM 0 HE21 GLN A 36 14.772 -3.811 22.654 1.00 74.44 H new ATOM 0 HE22 GLN A 36 15.941 -3.733 21.332 1.00 74.44 H new ATOM 564 N LEU A 37 10.869 -1.228 20.070 1.00 34.05 N ATOM 565 CA LEU A 37 10.696 -1.026 18.636 1.00 72.54 C ATOM 566 C LEU A 37 9.904 0.247 18.357 1.00 52.52 C ATOM 567 O LEU A 37 10.186 0.970 17.400 1.00 33.01 O ATOM 568 CB LEU A 37 9.985 -2.229 18.012 1.00 11.31 C ATOM 569 CG LEU A 37 10.538 -3.604 18.388 1.00 21.53 C ATOM 570 CD1 LEU A 37 9.801 -4.700 17.635 1.00 13.30 C ATOM 571 CD2 LEU A 37 12.032 -3.672 18.106 1.00 23.33 C ATOM 0 H LEU A 37 10.450 -2.086 20.428 1.00 34.05 H new ATOM 0 HA LEU A 37 11.684 -0.923 18.188 1.00 72.54 H new ATOM 0 HB2 LEU A 37 8.933 -2.192 18.297 1.00 11.31 H new ATOM 0 HB3 LEU A 37 10.025 -2.127 16.928 1.00 11.31 H new ATOM 0 HG LEU A 37 10.382 -3.758 19.456 1.00 21.53 H new ATOM 0 HD11 LEU A 37 10.208 -5.671 17.915 1.00 13.30 H new ATOM 0 HD12 LEU A 37 8.741 -4.665 17.886 1.00 13.30 H new ATOM 0 HD13 LEU A 37 9.925 -4.551 16.562 1.00 13.30 H new ATOM 0 HD21 LEU A 37 12.409 -4.657 18.379 1.00 23.33 H new ATOM 0 HD22 LEU A 37 12.210 -3.497 17.045 1.00 23.33 H new ATOM 0 HD23 LEU A 37 12.548 -2.911 18.691 1.00 23.33 H new ATOM 583 N LEU A 38 8.913 0.518 19.199 1.00 5.21 N ATOM 584 CA LEU A 38 8.081 1.705 19.046 1.00 52.35 C ATOM 585 C LEU A 38 8.915 2.976 19.180 1.00 54.12 C ATOM 586 O LEU A 38 8.810 3.887 18.360 1.00 74.41 O ATOM 587 CB LEU A 38 6.960 1.705 20.088 1.00 53.34 C ATOM 588 CG LEU A 38 6.084 2.958 20.131 1.00 2.43 C ATOM 589 CD1 LEU A 38 6.736 4.036 20.983 1.00 3.01 C ATOM 590 CD2 LEU A 38 5.821 3.474 18.724 1.00 74.01 C ATOM 0 H LEU A 38 8.666 -0.069 19.996 1.00 5.21 H new ATOM 0 HA LEU A 38 7.642 1.684 18.049 1.00 52.35 H new ATOM 0 HB2 LEU A 38 6.318 0.844 19.902 1.00 53.34 H new ATOM 0 HB3 LEU A 38 7.406 1.564 21.072 1.00 53.34 H new ATOM 0 HG LEU A 38 5.128 2.694 20.584 1.00 2.43 H new ATOM 0 HD11 LEU A 38 6.098 4.920 21.002 1.00 3.01 H new ATOM 0 HD12 LEU A 38 6.872 3.665 21.999 1.00 3.01 H new ATOM 0 HD13 LEU A 38 7.706 4.297 20.560 1.00 3.01 H new ATOM 0 HD21 LEU A 38 5.196 4.366 18.774 1.00 74.01 H new ATOM 0 HD22 LEU A 38 6.768 3.721 18.244 1.00 74.01 H new ATOM 0 HD23 LEU A 38 5.310 2.705 18.144 1.00 74.01 H new ATOM 602 N GLN A 39 9.743 3.027 20.218 1.00 41.04 N ATOM 603 CA GLN A 39 10.597 4.185 20.457 1.00 40.40 C ATOM 604 C GLN A 39 11.598 4.368 19.322 1.00 33.14 C ATOM 605 O GLN A 39 11.714 5.453 18.751 1.00 2.35 O ATOM 606 CB GLN A 39 11.338 4.032 21.787 1.00 52.31 C ATOM 607 CG GLN A 39 10.848 4.981 22.869 1.00 52.54 C ATOM 608 CD GLN A 39 11.213 6.426 22.587 1.00 52.41 C ATOM 609 OE1 GLN A 39 11.191 6.871 21.439 1.00 24.24 O ATOM 610 NE2 GLN A 39 11.550 7.167 23.636 1.00 64.23 N ATOM 0 H GLN A 39 9.841 2.281 20.907 1.00 41.04 H new ATOM 0 HA GLN A 39 9.962 5.070 20.502 1.00 40.40 H new ATOM 0 HB2 GLN A 39 11.229 3.006 22.138 1.00 52.31 H new ATOM 0 HB3 GLN A 39 12.402 4.201 21.622 1.00 52.31 H new ATOM 0 HG2 GLN A 39 9.765 4.895 22.960 1.00 52.54 H new ATOM 0 HG3 GLN A 39 11.273 4.683 23.828 1.00 52.54 H new ATOM 0 HE21 GLN A 39 11.555 6.757 24.570 1.00 64.23 H new ATOM 0 HE22 GLN A 39 11.804 8.146 23.508 1.00 64.23 H new ATOM 619 N LEU A 40 12.319 3.300 18.999 1.00 75.43 N ATOM 620 CA LEU A 40 13.312 3.342 17.930 1.00 52.43 C ATOM 621 C LEU A 40 12.659 3.683 16.594 1.00 65.42 C ATOM 622 O LEU A 40 13.095 4.599 15.896 1.00 52.35 O ATOM 623 CB LEU A 40 14.038 2.000 17.829 1.00 52.25 C ATOM 624 CG LEU A 40 15.540 2.069 17.550 1.00 70.34 C ATOM 625 CD1 LEU A 40 16.118 0.671 17.390 1.00 74.11 C ATOM 626 CD2 LEU A 40 15.814 2.907 16.309 1.00 31.04 C ATOM 0 H LEU A 40 12.235 2.395 19.461 1.00 75.43 H new ATOM 0 HA LEU A 40 14.035 4.122 18.169 1.00 52.43 H new ATOM 0 HB2 LEU A 40 13.887 1.457 18.762 1.00 52.25 H new ATOM 0 HB3 LEU A 40 13.568 1.414 17.039 1.00 52.25 H new ATOM 0 HG LEU A 40 16.027 2.546 18.401 1.00 70.34 H new ATOM 0 HD11 LEU A 40 17.188 0.740 17.192 1.00 74.11 H new ATOM 0 HD12 LEU A 40 15.954 0.103 18.306 1.00 74.11 H new ATOM 0 HD13 LEU A 40 15.627 0.167 16.558 1.00 74.11 H new ATOM 0 HD21 LEU A 40 16.888 2.945 16.126 1.00 31.04 H new ATOM 0 HD22 LEU A 40 15.315 2.459 15.450 1.00 31.04 H new ATOM 0 HD23 LEU A 40 15.436 3.918 16.462 1.00 31.04 H new ATOM 638 N ILE A 41 11.614 2.942 16.246 1.00 33.04 N ATOM 639 CA ILE A 41 10.900 3.168 14.996 1.00 32.24 C ATOM 640 C ILE A 41 10.285 4.563 14.958 1.00 0.24 C ATOM 641 O ILE A 41 10.183 5.179 13.897 1.00 12.32 O ATOM 642 CB ILE A 41 9.788 2.123 14.785 1.00 30.52 C ATOM 643 CG1 ILE A 41 10.397 0.737 14.560 1.00 71.01 C ATOM 644 CG2 ILE A 41 8.907 2.518 13.610 1.00 14.53 C ATOM 645 CD1 ILE A 41 9.422 -0.396 14.793 1.00 31.01 C ATOM 0 H ILE A 41 11.242 2.179 16.812 1.00 33.04 H new ATOM 0 HA ILE A 41 11.632 3.074 14.194 1.00 32.24 H new ATOM 0 HB ILE A 41 9.169 2.086 15.681 1.00 30.52 H new ATOM 0 HG12 ILE A 41 10.775 0.676 13.539 1.00 71.01 H new ATOM 0 HG13 ILE A 41 11.252 0.612 15.224 1.00 71.01 H new ATOM 0 HG21 ILE A 41 8.126 1.770 13.473 1.00 14.53 H new ATOM 0 HG22 ILE A 41 8.450 3.488 13.808 1.00 14.53 H new ATOM 0 HG23 ILE A 41 9.513 2.580 12.706 1.00 14.53 H new ATOM 0 HD11 ILE A 41 9.922 -1.348 14.615 1.00 31.01 H new ATOM 0 HD12 ILE A 41 9.063 -0.361 15.821 1.00 31.01 H new ATOM 0 HD13 ILE A 41 8.578 -0.296 14.110 1.00 31.01 H new ATOM 657 N PHE A 42 9.880 5.056 16.123 1.00 14.11 N ATOM 658 CA PHE A 42 9.275 6.379 16.225 1.00 74.53 C ATOM 659 C PHE A 42 10.239 7.456 15.737 1.00 60.05 C ATOM 660 O PHE A 42 9.888 8.287 14.900 1.00 71.44 O ATOM 661 CB PHE A 42 8.862 6.665 17.670 1.00 44.12 C ATOM 662 CG PHE A 42 8.470 8.095 17.909 1.00 1.41 C ATOM 663 CD1 PHE A 42 7.432 8.672 17.196 1.00 35.15 C ATOM 664 CD2 PHE A 42 9.139 8.863 18.848 1.00 63.15 C ATOM 665 CE1 PHE A 42 7.068 9.987 17.413 1.00 10.33 C ATOM 666 CE2 PHE A 42 8.780 10.179 19.070 1.00 13.25 C ATOM 667 CZ PHE A 42 7.744 10.742 18.352 1.00 14.02 C ATOM 0 H PHE A 42 9.960 4.559 17.010 1.00 14.11 H new ATOM 0 HA PHE A 42 8.388 6.395 15.592 1.00 74.53 H new ATOM 0 HB2 PHE A 42 8.026 6.018 17.935 1.00 44.12 H new ATOM 0 HB3 PHE A 42 9.688 6.407 18.333 1.00 44.12 H new ATOM 0 HD1 PHE A 42 6.900 8.086 16.461 1.00 35.15 H new ATOM 0 HD2 PHE A 42 9.950 8.428 19.413 1.00 63.15 H new ATOM 0 HE1 PHE A 42 6.257 10.424 16.850 1.00 10.33 H new ATOM 0 HE2 PHE A 42 9.310 10.767 19.805 1.00 13.25 H new ATOM 0 HZ PHE A 42 7.463 11.770 18.524 1.00 14.02 H new ATOM 677 N LYS A 43 11.458 7.436 16.267 1.00 22.12 N ATOM 678 CA LYS A 43 12.475 8.408 15.887 1.00 60.35 C ATOM 679 C LYS A 43 12.994 8.130 14.481 1.00 72.55 C ATOM 680 O LYS A 43 13.383 9.050 13.759 1.00 31.24 O ATOM 681 CB LYS A 43 13.635 8.380 16.885 1.00 44.31 C ATOM 682 CG LYS A 43 14.093 9.761 17.324 1.00 41.42 C ATOM 683 CD LYS A 43 14.983 9.688 18.553 1.00 14.20 C ATOM 684 CE LYS A 43 16.226 10.550 18.392 1.00 2.24 C ATOM 685 NZ LYS A 43 17.420 9.924 19.025 1.00 24.42 N ATOM 0 H LYS A 43 11.765 6.756 16.962 1.00 22.12 H new ATOM 0 HA LYS A 43 12.018 9.398 15.898 1.00 60.35 H new ATOM 0 HB2 LYS A 43 13.334 7.810 17.764 1.00 44.31 H new ATOM 0 HB3 LYS A 43 14.477 7.853 16.436 1.00 44.31 H new ATOM 0 HG2 LYS A 43 14.635 10.242 16.509 1.00 41.42 H new ATOM 0 HG3 LYS A 43 13.224 10.382 17.539 1.00 41.42 H new ATOM 0 HD2 LYS A 43 14.423 10.015 19.429 1.00 14.20 H new ATOM 0 HD3 LYS A 43 15.277 8.653 18.730 1.00 14.20 H new ATOM 0 HE2 LYS A 43 16.420 10.713 17.332 1.00 2.24 H new ATOM 0 HE3 LYS A 43 16.050 11.529 18.838 1.00 2.24 H new ATOM 0 HZ1 LYS A 43 18.246 10.542 18.894 1.00 24.42 H new ATOM 0 HZ2 LYS A 43 17.245 9.791 20.042 1.00 24.42 H new ATOM 0 HZ3 LYS A 43 17.604 9.001 18.582 1.00 24.42 H new ATOM 699 N SER A 44 12.997 6.858 14.096 1.00 21.41 N ATOM 700 CA SER A 44 13.471 6.460 12.775 1.00 64.31 C ATOM 701 C SER A 44 12.521 6.948 11.687 1.00 71.20 C ATOM 702 O SER A 44 12.947 7.554 10.703 1.00 54.44 O ATOM 703 CB SER A 44 13.614 4.939 12.699 1.00 4.12 C ATOM 704 OG SER A 44 14.635 4.566 11.790 1.00 14.10 O ATOM 0 H SER A 44 12.677 6.085 14.680 1.00 21.41 H new ATOM 0 HA SER A 44 14.447 6.918 12.613 1.00 64.31 H new ATOM 0 HB2 SER A 44 13.841 4.542 13.688 1.00 4.12 H new ATOM 0 HB3 SER A 44 12.667 4.497 12.388 1.00 4.12 H new ATOM 0 HG SER A 44 14.707 3.589 11.762 1.00 14.10 H new ATOM 710 N ILE A 45 11.233 6.680 11.870 1.00 4.40 N ATOM 711 CA ILE A 45 10.222 7.092 10.905 1.00 73.22 C ATOM 712 C ILE A 45 10.111 8.612 10.841 1.00 32.04 C ATOM 713 O ILE A 45 9.848 9.181 9.782 1.00 40.03 O ATOM 714 CB ILE A 45 8.842 6.502 11.248 1.00 51.33 C ATOM 715 CG1 ILE A 45 8.863 4.979 11.102 1.00 42.24 C ATOM 716 CG2 ILE A 45 7.768 7.109 10.357 1.00 63.32 C ATOM 717 CD1 ILE A 45 7.534 4.324 11.400 1.00 15.42 C ATOM 0 H ILE A 45 10.865 6.179 12.678 1.00 4.40 H new ATOM 0 HA ILE A 45 10.539 6.711 9.934 1.00 73.22 H new ATOM 0 HB ILE A 45 8.608 6.746 12.284 1.00 51.33 H new ATOM 0 HG12 ILE A 45 9.165 4.724 10.086 1.00 42.24 H new ATOM 0 HG13 ILE A 45 9.619 4.569 11.771 1.00 42.24 H new ATOM 0 HG21 ILE A 45 6.799 6.681 10.613 1.00 63.32 H new ATOM 0 HG22 ILE A 45 7.739 8.188 10.506 1.00 63.32 H new ATOM 0 HG23 ILE A 45 7.996 6.893 9.313 1.00 63.32 H new ATOM 0 HD11 ILE A 45 7.624 3.245 11.276 1.00 15.42 H new ATOM 0 HD12 ILE A 45 7.240 4.548 12.425 1.00 15.42 H new ATOM 0 HD13 ILE A 45 6.778 4.706 10.714 1.00 15.42 H new ATOM 729 N ASP A 46 10.314 9.263 11.982 1.00 34.40 N ATOM 730 CA ASP A 46 10.240 10.717 12.055 1.00 42.02 C ATOM 731 C ASP A 46 11.559 11.351 11.626 1.00 43.12 C ATOM 732 O ASP A 46 12.605 11.095 12.220 1.00 11.21 O ATOM 733 CB ASP A 46 9.886 11.160 13.475 1.00 4.43 C ATOM 734 CG ASP A 46 9.090 12.450 13.499 1.00 63.14 C ATOM 735 OD1 ASP A 46 9.177 13.218 12.518 1.00 55.53 O ATOM 736 OD2 ASP A 46 8.382 12.693 14.498 1.00 3.43 O ATOM 0 H ASP A 46 10.531 8.806 12.868 1.00 34.40 H new ATOM 0 HA ASP A 46 9.458 11.051 11.373 1.00 42.02 H new ATOM 0 HB2 ASP A 46 9.312 10.374 13.965 1.00 4.43 H new ATOM 0 HB3 ASP A 46 10.802 11.292 14.050 1.00 4.43 H new ATOM 741 N ALA A 47 11.501 12.181 10.589 1.00 31.43 N ATOM 742 CA ALA A 47 12.691 12.852 10.080 1.00 11.31 C ATOM 743 C ALA A 47 13.253 13.826 11.109 1.00 22.32 C ATOM 744 O ALA A 47 14.468 13.923 11.288 1.00 12.15 O ATOM 745 CB ALA A 47 12.373 13.578 8.781 1.00 42.23 C ATOM 0 H ALA A 47 10.643 12.405 10.085 1.00 31.43 H new ATOM 0 HA ALA A 47 13.449 12.094 9.883 1.00 11.31 H new ATOM 0 HB1 ALA A 47 13.271 14.074 8.412 1.00 42.23 H new ATOM 0 HB2 ALA A 47 12.025 12.860 8.039 1.00 42.23 H new ATOM 0 HB3 ALA A 47 11.595 14.321 8.960 1.00 42.23 H new ATOM 751 N ASP A 48 12.364 14.546 11.783 1.00 51.44 N ATOM 752 CA ASP A 48 12.772 15.514 12.794 1.00 44.42 C ATOM 753 C ASP A 48 12.423 15.016 14.194 1.00 51.52 C ATOM 754 O ASP A 48 12.927 15.532 15.191 1.00 73.40 O ATOM 755 CB ASP A 48 12.103 16.866 12.539 1.00 22.05 C ATOM 756 CG ASP A 48 10.590 16.765 12.503 1.00 4.21 C ATOM 757 OD1 ASP A 48 10.067 15.645 12.675 1.00 33.14 O ATOM 758 OD2 ASP A 48 9.931 17.807 12.304 1.00 43.20 O ATOM 0 H ASP A 48 11.355 14.478 11.648 1.00 51.44 H new ATOM 0 HA ASP A 48 13.853 15.636 12.729 1.00 44.42 H new ATOM 0 HB2 ASP A 48 12.399 17.568 13.319 1.00 22.05 H new ATOM 0 HB3 ASP A 48 12.460 17.272 11.593 1.00 22.05 H new ATOM 763 N GLY A 49 11.554 14.011 14.260 1.00 63.40 N ATOM 764 CA GLY A 49 11.152 13.462 15.541 1.00 62.13 C ATOM 765 C GLY A 49 10.510 14.500 16.441 1.00 64.33 C ATOM 766 O GLY A 49 10.657 14.448 17.662 1.00 2.13 O ATOM 0 H GLY A 49 11.122 13.568 13.449 1.00 63.40 H new ATOM 0 HA2 GLY A 49 10.451 12.643 15.378 1.00 62.13 H new ATOM 0 HA3 GLY A 49 12.024 13.040 16.042 1.00 62.13 H new ATOM 770 N ASN A 50 9.801 15.447 15.837 1.00 12.23 N ATOM 771 CA ASN A 50 9.136 16.503 16.593 1.00 65.33 C ATOM 772 C ASN A 50 7.766 16.044 17.081 1.00 70.21 C ATOM 773 O ASN A 50 6.741 16.376 16.489 1.00 53.14 O ATOM 774 CB ASN A 50 8.989 17.759 15.731 1.00 43.12 C ATOM 775 CG ASN A 50 8.194 17.501 14.465 1.00 64.03 C ATOM 776 OD1 ASN A 50 8.007 16.354 14.059 1.00 71.45 O ATOM 777 ND2 ASN A 50 7.722 18.571 13.835 1.00 43.50 N ATOM 0 H ASN A 50 9.672 15.506 14.827 1.00 12.23 H new ATOM 0 HA ASN A 50 9.751 16.736 17.462 1.00 65.33 H new ATOM 0 HB2 ASN A 50 8.499 18.540 16.312 1.00 43.12 H new ATOM 0 HB3 ASN A 50 9.978 18.132 15.466 1.00 43.12 H new ATOM 0 HD21 ASN A 50 7.180 18.460 12.978 1.00 43.50 H new ATOM 0 HD22 ASN A 50 7.902 19.503 14.208 1.00 43.50 H new ATOM 784 N GLY A 51 7.757 15.276 18.167 1.00 3.10 N ATOM 785 CA GLY A 51 6.508 14.784 18.717 1.00 50.42 C ATOM 786 C GLY A 51 5.839 13.764 17.816 1.00 23.11 C ATOM 787 O GLY A 51 5.383 12.720 18.283 1.00 74.53 O ATOM 0 H GLY A 51 8.593 14.986 18.675 1.00 3.10 H new ATOM 0 HA2 GLY A 51 6.696 14.335 19.692 1.00 50.42 H new ATOM 0 HA3 GLY A 51 5.830 15.622 18.878 1.00 50.42 H new ATOM 791 N GLU A 52 5.781 14.067 16.524 1.00 31.32 N ATOM 792 CA GLU A 52 5.161 13.168 15.556 1.00 45.13 C ATOM 793 C GLU A 52 5.779 13.348 14.173 1.00 55.44 C ATOM 794 O GLU A 52 6.466 14.336 13.912 1.00 32.21 O ATOM 795 CB GLU A 52 3.653 13.417 15.490 1.00 15.13 C ATOM 796 CG GLU A 52 3.278 14.889 15.487 1.00 60.33 C ATOM 797 CD GLU A 52 4.074 15.692 14.476 1.00 23.53 C ATOM 798 OE1 GLU A 52 4.042 15.338 13.279 1.00 22.44 O ATOM 799 OE2 GLU A 52 4.731 16.673 14.883 1.00 12.43 O ATOM 0 H GLU A 52 6.155 14.927 16.122 1.00 31.32 H new ATOM 0 HA GLU A 52 5.339 12.144 15.883 1.00 45.13 H new ATOM 0 HB2 GLU A 52 3.255 12.948 14.590 1.00 15.13 H new ATOM 0 HB3 GLU A 52 3.176 12.931 16.341 1.00 15.13 H new ATOM 0 HG2 GLU A 52 2.215 14.989 15.269 1.00 60.33 H new ATOM 0 HG3 GLU A 52 3.439 15.303 16.482 1.00 60.33 H new ATOM 806 N ILE A 53 5.528 12.387 13.290 1.00 12.13 N ATOM 807 CA ILE A 53 6.058 12.439 11.934 1.00 72.22 C ATOM 808 C ILE A 53 5.077 13.119 10.986 1.00 74.35 C ATOM 809 O ILE A 53 3.956 12.649 10.793 1.00 13.54 O ATOM 810 CB ILE A 53 6.378 11.031 11.399 1.00 64.11 C ATOM 811 CG1 ILE A 53 7.034 10.185 12.491 1.00 4.23 C ATOM 812 CG2 ILE A 53 7.281 11.121 10.177 1.00 31.34 C ATOM 813 CD1 ILE A 53 6.134 9.099 13.038 1.00 10.01 C ATOM 0 H ILE A 53 4.961 11.563 13.490 1.00 12.13 H new ATOM 0 HA ILE A 53 6.979 13.020 11.978 1.00 72.22 H new ATOM 0 HB ILE A 53 5.446 10.550 11.103 1.00 64.11 H new ATOM 0 HG12 ILE A 53 7.939 9.728 12.091 1.00 4.23 H new ATOM 0 HG13 ILE A 53 7.341 10.837 13.309 1.00 4.23 H new ATOM 0 HG21 ILE A 53 7.498 10.118 9.810 1.00 31.34 H new ATOM 0 HG22 ILE A 53 6.780 11.692 9.396 1.00 31.34 H new ATOM 0 HG23 ILE A 53 8.212 11.618 10.449 1.00 31.34 H new ATOM 0 HD11 ILE A 53 6.665 8.540 13.808 1.00 10.01 H new ATOM 0 HD12 ILE A 53 5.240 9.550 13.469 1.00 10.01 H new ATOM 0 HD13 ILE A 53 5.847 8.424 12.232 1.00 10.01 H new ATOM 825 N ASP A 54 5.506 14.228 10.393 1.00 70.24 N ATOM 826 CA ASP A 54 4.667 14.973 9.462 1.00 12.04 C ATOM 827 C ASP A 54 4.602 14.272 8.108 1.00 62.10 C ATOM 828 O ASP A 54 5.469 13.464 7.777 1.00 32.23 O ATOM 829 CB ASP A 54 5.199 16.396 9.288 1.00 15.34 C ATOM 830 CG ASP A 54 5.343 17.126 10.609 1.00 4.15 C ATOM 831 OD1 ASP A 54 6.150 16.675 11.450 1.00 50.10 O ATOM 832 OD2 ASP A 54 4.651 18.146 10.802 1.00 65.01 O ATOM 0 H ASP A 54 6.431 14.631 10.541 1.00 70.24 H new ATOM 0 HA ASP A 54 3.660 15.018 9.876 1.00 12.04 H new ATOM 0 HB2 ASP A 54 6.167 16.360 8.789 1.00 15.34 H new ATOM 0 HB3 ASP A 54 4.526 16.956 8.639 1.00 15.34 H new ATOM 837 N GLN A 55 3.569 14.586 7.333 1.00 23.32 N ATOM 838 CA GLN A 55 3.391 13.984 6.017 1.00 5.24 C ATOM 839 C GLN A 55 4.650 14.145 5.170 1.00 10.44 C ATOM 840 O GLN A 55 5.103 13.199 4.529 1.00 22.14 O ATOM 841 CB GLN A 55 2.197 14.616 5.301 1.00 52.41 C ATOM 842 CG GLN A 55 2.248 16.134 5.257 1.00 50.30 C ATOM 843 CD GLN A 55 0.961 16.746 4.738 1.00 41.12 C ATOM 844 OE1 GLN A 55 -0.082 16.671 5.388 1.00 1.25 O ATOM 845 NE2 GLN A 55 1.029 17.358 3.562 1.00 15.14 N ATOM 0 H GLN A 55 2.843 15.253 7.593 1.00 23.32 H new ATOM 0 HA GLN A 55 3.201 12.920 6.155 1.00 5.24 H new ATOM 0 HB2 GLN A 55 2.151 14.233 4.282 1.00 52.41 H new ATOM 0 HB3 GLN A 55 1.279 14.306 5.800 1.00 52.41 H new ATOM 0 HG2 GLN A 55 2.450 16.516 6.258 1.00 50.30 H new ATOM 0 HG3 GLN A 55 3.077 16.448 4.623 1.00 50.30 H new ATOM 0 HE21 GLN A 55 1.915 17.396 3.057 1.00 15.14 H new ATOM 0 HE22 GLN A 55 0.196 17.790 3.163 1.00 15.14 H new ATOM 854 N ASN A 56 5.209 15.351 5.174 1.00 23.14 N ATOM 855 CA ASN A 56 6.415 15.636 4.405 1.00 55.10 C ATOM 856 C ASN A 56 7.558 14.718 4.825 1.00 41.11 C ATOM 857 O ASN A 56 8.207 14.094 3.987 1.00 73.51 O ATOM 858 CB ASN A 56 6.827 17.098 4.587 1.00 52.13 C ATOM 859 CG ASN A 56 7.409 17.697 3.321 1.00 4.31 C ATOM 860 OD1 ASN A 56 8.511 18.245 3.331 1.00 65.14 O ATOM 861 ND2 ASN A 56 6.670 17.595 2.223 1.00 1.23 N ATOM 0 H ASN A 56 4.847 16.146 5.701 1.00 23.14 H new ATOM 0 HA ASN A 56 6.196 15.455 3.353 1.00 55.10 H new ATOM 0 HB2 ASN A 56 5.960 17.681 4.896 1.00 52.13 H new ATOM 0 HB3 ASN A 56 7.561 17.169 5.390 1.00 52.13 H new ATOM 0 HD21 ASN A 56 7.010 17.979 1.342 1.00 1.23 H new ATOM 0 HD22 ASN A 56 5.762 17.132 2.261 1.00 1.23 H new ATOM 868 N GLU A 57 7.797 14.639 6.131 1.00 65.03 N ATOM 869 CA GLU A 57 8.863 13.797 6.662 1.00 54.35 C ATOM 870 C GLU A 57 8.622 12.332 6.315 1.00 32.43 C ATOM 871 O GLU A 57 9.546 11.612 5.935 1.00 41.20 O ATOM 872 CB GLU A 57 8.964 13.962 8.180 1.00 65.41 C ATOM 873 CG GLU A 57 9.174 15.400 8.623 1.00 62.03 C ATOM 874 CD GLU A 57 8.575 15.684 9.987 1.00 21.41 C ATOM 875 OE1 GLU A 57 8.190 14.719 10.679 1.00 15.25 O ATOM 876 OE2 GLU A 57 8.491 16.873 10.362 1.00 24.41 O ATOM 0 H GLU A 57 7.268 15.147 6.839 1.00 65.03 H new ATOM 0 HA GLU A 57 9.802 14.111 6.205 1.00 54.35 H new ATOM 0 HB2 GLU A 57 8.053 13.578 8.640 1.00 65.41 H new ATOM 0 HB3 GLU A 57 9.789 13.353 8.549 1.00 65.41 H new ATOM 0 HG2 GLU A 57 10.242 15.616 8.647 1.00 62.03 H new ATOM 0 HG3 GLU A 57 8.729 16.071 7.888 1.00 62.03 H new ATOM 883 N PHE A 58 7.374 11.895 6.446 1.00 53.34 N ATOM 884 CA PHE A 58 7.010 10.515 6.147 1.00 5.32 C ATOM 885 C PHE A 58 7.222 10.205 4.668 1.00 2.25 C ATOM 886 O PHE A 58 7.746 9.149 4.314 1.00 1.12 O ATOM 887 CB PHE A 58 5.553 10.255 6.531 1.00 14.45 C ATOM 888 CG PHE A 58 5.222 8.796 6.679 1.00 73.34 C ATOM 889 CD1 PHE A 58 4.848 8.042 5.578 1.00 41.12 C ATOM 890 CD2 PHE A 58 5.286 8.180 7.918 1.00 62.41 C ATOM 891 CE1 PHE A 58 4.543 6.701 5.711 1.00 43.53 C ATOM 892 CE2 PHE A 58 4.984 6.839 8.057 1.00 52.31 C ATOM 893 CZ PHE A 58 4.613 6.098 6.952 1.00 54.20 C ATOM 0 H PHE A 58 6.597 12.477 6.758 1.00 53.34 H new ATOM 0 HA PHE A 58 7.655 9.860 6.733 1.00 5.32 H new ATOM 0 HB2 PHE A 58 5.336 10.765 7.469 1.00 14.45 H new ATOM 0 HB3 PHE A 58 4.903 10.692 5.773 1.00 14.45 H new ATOM 0 HD1 PHE A 58 4.794 8.508 4.605 1.00 41.12 H new ATOM 0 HD2 PHE A 58 5.575 8.755 8.785 1.00 62.41 H new ATOM 0 HE1 PHE A 58 4.250 6.125 4.846 1.00 43.53 H new ATOM 0 HE2 PHE A 58 5.038 6.371 9.029 1.00 52.31 H new ATOM 0 HZ PHE A 58 4.378 5.049 7.058 1.00 54.20 H new ATOM 903 N ALA A 59 6.810 11.132 3.810 1.00 42.23 N ATOM 904 CA ALA A 59 6.956 10.960 2.371 1.00 32.15 C ATOM 905 C ALA A 59 8.421 10.795 1.983 1.00 24.41 C ATOM 906 O ALA A 59 8.788 9.848 1.286 1.00 50.04 O ATOM 907 CB ALA A 59 6.342 12.140 1.632 1.00 3.24 C ATOM 0 H ALA A 59 6.372 12.010 4.087 1.00 42.23 H new ATOM 0 HA ALA A 59 6.427 10.051 2.084 1.00 32.15 H new ATOM 0 HB1 ALA A 59 6.459 11.997 0.558 1.00 3.24 H new ATOM 0 HB2 ALA A 59 5.282 12.210 1.876 1.00 3.24 H new ATOM 0 HB3 ALA A 59 6.845 13.059 1.933 1.00 3.24 H new ATOM 913 N LYS A 60 9.257 11.723 2.438 1.00 31.22 N ATOM 914 CA LYS A 60 10.684 11.681 2.140 1.00 72.30 C ATOM 915 C LYS A 60 11.342 10.471 2.795 1.00 2.15 C ATOM 916 O LYS A 60 12.376 9.989 2.333 1.00 4.34 O ATOM 917 CB LYS A 60 11.363 12.966 2.619 1.00 43.02 C ATOM 918 CG LYS A 60 11.374 14.072 1.579 1.00 54.43 C ATOM 919 CD LYS A 60 11.838 15.392 2.173 1.00 74.34 C ATOM 920 CE LYS A 60 12.349 16.338 1.098 1.00 71.44 C ATOM 921 NZ LYS A 60 12.822 17.628 1.673 1.00 20.04 N ATOM 0 H LYS A 60 8.970 12.514 3.015 1.00 31.22 H new ATOM 0 HA LYS A 60 10.802 11.595 1.060 1.00 72.30 H new ATOM 0 HB2 LYS A 60 10.853 13.325 3.513 1.00 43.02 H new ATOM 0 HB3 LYS A 60 12.390 12.739 2.907 1.00 43.02 H new ATOM 0 HG2 LYS A 60 12.031 13.792 0.756 1.00 54.43 H new ATOM 0 HG3 LYS A 60 10.374 14.191 1.163 1.00 54.43 H new ATOM 0 HD2 LYS A 60 11.013 15.861 2.709 1.00 74.34 H new ATOM 0 HD3 LYS A 60 12.627 15.207 2.901 1.00 74.34 H new ATOM 0 HE2 LYS A 60 13.165 15.862 0.554 1.00 71.44 H new ATOM 0 HE3 LYS A 60 11.555 16.531 0.377 1.00 71.44 H new ATOM 0 HZ1 LYS A 60 13.162 18.245 0.908 1.00 20.04 H new ATOM 0 HZ2 LYS A 60 12.037 18.095 2.171 1.00 20.04 H new ATOM 0 HZ3 LYS A 60 13.597 17.446 2.342 1.00 20.04 H new ATOM 935 N PHE A 61 10.735 9.984 3.872 1.00 50.43 N ATOM 936 CA PHE A 61 11.261 8.829 4.590 1.00 61.12 C ATOM 937 C PHE A 61 10.878 7.531 3.887 1.00 21.24 C ATOM 938 O PHE A 61 11.638 6.562 3.891 1.00 62.32 O ATOM 939 CB PHE A 61 10.742 8.816 6.030 1.00 32.40 C ATOM 940 CG PHE A 61 10.760 7.453 6.661 1.00 55.34 C ATOM 941 CD1 PHE A 61 11.939 6.730 6.744 1.00 52.41 C ATOM 942 CD2 PHE A 61 9.598 6.896 7.171 1.00 42.03 C ATOM 943 CE1 PHE A 61 11.959 5.476 7.325 1.00 11.42 C ATOM 944 CE2 PHE A 61 9.614 5.643 7.754 1.00 11.42 C ATOM 945 CZ PHE A 61 10.794 4.932 7.829 1.00 4.43 C ATOM 0 H PHE A 61 9.878 10.371 4.267 1.00 50.43 H new ATOM 0 HA PHE A 61 12.348 8.906 4.604 1.00 61.12 H new ATOM 0 HB2 PHE A 61 11.347 9.494 6.632 1.00 32.40 H new ATOM 0 HB3 PHE A 61 9.722 9.201 6.044 1.00 32.40 H new ATOM 0 HD1 PHE A 61 12.852 7.151 6.350 1.00 52.41 H new ATOM 0 HD2 PHE A 61 8.671 7.447 7.112 1.00 42.03 H new ATOM 0 HE1 PHE A 61 12.884 4.922 7.385 1.00 11.42 H new ATOM 0 HE2 PHE A 61 8.703 5.220 8.151 1.00 11.42 H new ATOM 0 HZ PHE A 61 10.807 3.951 8.281 1.00 4.43 H new ATOM 955 N TYR A 62 9.694 7.518 3.287 1.00 34.33 N ATOM 956 CA TYR A 62 9.207 6.338 2.582 1.00 1.23 C ATOM 957 C TYR A 62 10.098 6.010 1.389 1.00 34.54 C ATOM 958 O TYR A 62 10.239 6.810 0.465 1.00 4.51 O ATOM 959 CB TYR A 62 7.767 6.556 2.113 1.00 24.23 C ATOM 960 CG TYR A 62 7.248 5.452 1.220 1.00 34.44 C ATOM 961 CD1 TYR A 62 7.407 5.512 -0.159 1.00 55.54 C ATOM 962 CD2 TYR A 62 6.598 4.345 1.756 1.00 53.34 C ATOM 963 CE1 TYR A 62 6.932 4.507 -0.978 1.00 1.14 C ATOM 964 CE2 TYR A 62 6.122 3.334 0.944 1.00 30.20 C ATOM 965 CZ TYR A 62 6.291 3.420 -0.422 1.00 22.34 C ATOM 966 OH TYR A 62 5.820 2.415 -1.235 1.00 15.44 O ATOM 0 H TYR A 62 9.053 8.311 3.274 1.00 34.33 H new ATOM 0 HA TYR A 62 9.233 5.496 3.274 1.00 1.23 H new ATOM 0 HB2 TYR A 62 7.119 6.642 2.985 1.00 24.23 H new ATOM 0 HB3 TYR A 62 7.708 7.503 1.577 1.00 24.23 H new ATOM 0 HD1 TYR A 62 7.911 6.360 -0.598 1.00 55.54 H new ATOM 0 HD2 TYR A 62 6.463 4.275 2.825 1.00 53.34 H new ATOM 0 HE1 TYR A 62 7.062 4.572 -2.048 1.00 1.14 H new ATOM 0 HE2 TYR A 62 5.620 2.481 1.376 1.00 30.20 H new ATOM 0 HH TYR A 62 5.395 1.723 -0.687 1.00 15.44 H new ATOM 976 N GLY A 63 10.698 4.823 1.414 1.00 54.21 N ATOM 977 CA GLY A 63 11.568 4.408 0.330 1.00 33.12 C ATOM 978 C GLY A 63 12.977 4.948 0.477 1.00 31.53 C ATOM 979 O GLY A 63 13.822 4.742 -0.394 1.00 21.14 O ATOM 0 H GLY A 63 10.596 4.142 2.166 1.00 54.21 H new ATOM 0 HA2 GLY A 63 11.602 3.319 0.292 1.00 33.12 H new ATOM 0 HA3 GLY A 63 11.149 4.747 -0.618 1.00 33.12 H new ATOM 983 N SER A 64 13.230 5.642 1.581 1.00 52.43 N ATOM 984 CA SER A 64 14.544 6.219 1.837 1.00 44.31 C ATOM 985 C SER A 64 15.398 5.274 2.678 1.00 11.32 C ATOM 986 O SER A 64 16.310 5.705 3.383 1.00 61.25 O ATOM 987 CB SER A 64 14.404 7.567 2.548 1.00 0.24 C ATOM 988 OG SER A 64 15.671 8.161 2.769 1.00 43.11 O ATOM 0 H SER A 64 12.542 5.819 2.313 1.00 52.43 H new ATOM 0 HA SER A 64 15.039 6.372 0.878 1.00 44.31 H new ATOM 0 HB2 SER A 64 13.785 8.235 1.949 1.00 0.24 H new ATOM 0 HB3 SER A 64 13.893 7.428 3.501 1.00 0.24 H new ATOM 0 HG SER A 64 16.286 7.492 3.137 1.00 43.11 H new ATOM 994 N ILE A 65 15.094 3.983 2.597 1.00 50.45 N ATOM 995 CA ILE A 65 15.833 2.977 3.349 1.00 4.30 C ATOM 996 C ILE A 65 16.977 2.401 2.521 1.00 14.32 C ATOM 997 O ILE A 65 17.523 1.349 2.848 1.00 33.55 O ATOM 998 CB ILE A 65 14.915 1.827 3.804 1.00 33.34 C ATOM 999 CG1 ILE A 65 13.560 2.376 4.256 1.00 13.31 C ATOM 1000 CG2 ILE A 65 15.572 1.035 4.924 1.00 11.20 C ATOM 1001 CD1 ILE A 65 12.509 2.363 3.168 1.00 21.35 C ATOM 0 H ILE A 65 14.342 3.609 2.019 1.00 50.45 H new ATOM 0 HA ILE A 65 16.240 3.477 4.228 1.00 4.30 H new ATOM 0 HB ILE A 65 14.752 1.157 2.960 1.00 33.34 H new ATOM 0 HG12 ILE A 65 13.203 1.788 5.102 1.00 13.31 H new ATOM 0 HG13 ILE A 65 13.691 3.398 4.611 1.00 13.31 H new ATOM 0 HG21 ILE A 65 14.910 0.226 5.234 1.00 11.20 H new ATOM 0 HG22 ILE A 65 16.515 0.617 4.570 1.00 11.20 H new ATOM 0 HG23 ILE A 65 15.763 1.693 5.772 1.00 11.20 H new ATOM 0 HD11 ILE A 65 11.575 2.766 3.560 1.00 21.35 H new ATOM 0 HD12 ILE A 65 12.845 2.974 2.330 1.00 21.35 H new ATOM 0 HD13 ILE A 65 12.349 1.339 2.829 1.00 21.35 H new ATOM 1013 N GLN A 66 17.333 3.101 1.448 1.00 44.21 N ATOM 1014 CA GLN A 66 18.413 2.660 0.574 1.00 20.34 C ATOM 1015 C GLN A 66 19.741 2.624 1.323 1.00 1.02 C ATOM 1016 O GLN A 66 20.003 3.517 2.128 1.00 72.21 O ATOM 1017 CB GLN A 66 18.525 3.584 -0.640 1.00 71.00 C ATOM 1018 CG GLN A 66 17.849 3.035 -1.887 1.00 43.41 C ATOM 1019 CD GLN A 66 18.805 2.899 -3.056 1.00 25.02 C ATOM 1020 OE1 GLN A 66 18.839 1.867 -3.727 1.00 73.41 O ATOM 1021 NE2 GLN A 66 19.588 3.942 -3.305 1.00 21.35 N ATOM 0 H GLN A 66 16.890 3.975 1.164 1.00 44.21 H new ATOM 0 HA GLN A 66 18.181 1.651 0.234 1.00 20.34 H new ATOM 0 HB2 GLN A 66 18.084 4.550 -0.393 1.00 71.00 H new ATOM 0 HB3 GLN A 66 19.579 3.761 -0.856 1.00 71.00 H new ATOM 0 HG2 GLN A 66 17.415 2.061 -1.662 1.00 43.41 H new ATOM 0 HG3 GLN A 66 17.027 3.692 -2.169 1.00 43.41 H new ATOM 0 HE21 GLN A 66 19.526 4.777 -2.723 1.00 21.35 H new ATOM 0 HE22 GLN A 66 20.252 3.908 -4.079 1.00 21.35 H new TER 1030 GLN A 66 HETATM 1031 CA CA A 101 -3.085 11.811 13.115 1.00 4.43 CA HETATM 1032 CA CA A 102 7.359 15.667 13.126 1.00 12.22 CA