USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 686 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 36 HIS : no HE2:sc= 1.07 K(o=2.4,f=-5.1) USER MOD Set 1.2: A 40 LYS NZ :NH3+ -168:sc= 1.32 (180deg=0) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -1:sc= 0.564 USER MOD Single : A 4 SER OG : rot 90:sc= 1.23 USER MOD Single : A 8 ASN : amide:sc= 0.43 X(o=0.43,f=-0.0081) USER MOD Single : A 9 ASN : amide:sc= 0.473 K(o=0.47,f=-0.97) USER MOD Single : A 12 SER OG : rot 56:sc= 1.24 USER MOD Single : A 13 TYR OH : rot -9:sc= 0.502 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 16 LYS NZ :NH3+ 172:sc= 1.05 (180deg=1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 87:sc= 0.394 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 28 TYR OH : rot 180:sc= -1.18 USER MOD Single : A 30 SER OG : rot 80:sc= 0.224 USER MOD Single : A 37 THR OG1 : rot 180:sc=-0.000719 USER MOD Single : A 38 TYR OH : rot -128:sc= 1.17 USER MOD Single : A 39 GLN : amide:sc= 0.537 K(o=0.54,f=0) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.0718 F(o=-0.9,f=-0.072) USER MOD Single : A 44 HIS : no HE2:sc= -0.408 K(o=-0.41,f=-4.9!) USER MOD Single : A 45 THR OG1 : rot 170:sc= 0.0128 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -144:sc= -3.18! (180deg=-5.89!) USER MOD Single : A 54 SER OG : rot 31:sc= 0.353 USER MOD Single : A 60 THR OG1 : rot 87:sc= 1.24 USER MOD Single : A 64 ASN : amide:sc= 0.121 X(o=0.12,f=-0.13) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 74 SER OG : rot 81:sc= 0.726 USER MOD Single : A 78 GLN : amide:sc= -0.186 K(o=-0.19,f=-0.87) USER MOD Single : A 84 LYS NZ :NH3+ 169:sc= 0.24 (180deg=-0.0743) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 25.642 -1.345 6.039 1.00 14.32 N ATOM 2 CA GLU A 1 25.178 -2.450 6.853 1.00 50.21 C ATOM 3 C GLU A 1 23.713 -2.681 6.551 1.00 64.40 C ATOM 4 O GLU A 1 22.854 -1.842 6.874 1.00 15.23 O ATOM 5 CB GLU A 1 25.414 -2.138 8.353 1.00 30.32 C ATOM 6 CG GLU A 1 25.158 -3.288 9.356 1.00 10.33 C ATOM 7 CD GLU A 1 23.704 -3.688 9.512 1.00 51.14 C ATOM 8 OE1 GLU A 1 22.921 -2.901 10.071 1.00 2.34 O ATOM 9 OE2 GLU A 1 23.324 -4.820 9.101 1.00 60.24 O ATOM 0 H1 GLU A 1 26.649 -1.170 6.232 1.00 14.32 H new ATOM 0 H2 GLU A 1 25.518 -1.579 5.033 1.00 14.32 H new ATOM 0 H3 GLU A 1 25.093 -0.492 6.266 1.00 14.32 H new ATOM 0 HA GLU A 1 25.733 -3.359 6.622 1.00 50.21 H new ATOM 0 HB2 GLU A 1 26.446 -1.807 8.472 1.00 30.32 H new ATOM 0 HB3 GLU A 1 24.776 -1.299 8.629 1.00 30.32 H new ATOM 0 HG2 GLU A 1 25.728 -4.161 9.038 1.00 10.33 H new ATOM 0 HG3 GLU A 1 25.545 -2.993 10.331 1.00 10.33 H new ATOM 16 N SER A 2 23.436 -3.751 5.871 1.00 25.34 N ATOM 17 CA SER A 2 22.096 -4.116 5.545 1.00 13.04 C ATOM 18 C SER A 2 21.980 -5.619 5.389 1.00 74.05 C ATOM 19 O SER A 2 22.980 -6.322 5.193 1.00 31.43 O ATOM 20 CB SER A 2 21.627 -3.409 4.255 1.00 62.41 C ATOM 21 OG SER A 2 21.617 -1.993 4.419 1.00 71.12 O ATOM 0 H SER A 2 24.142 -4.400 5.524 1.00 25.34 H new ATOM 0 HA SER A 2 21.451 -3.796 6.364 1.00 13.04 H new ATOM 0 HB2 SER A 2 22.286 -3.678 3.429 1.00 62.41 H new ATOM 0 HB3 SER A 2 20.628 -3.754 3.990 1.00 62.41 H new ATOM 0 HG SER A 2 21.900 -1.767 5.330 1.00 71.12 H new ATOM 27 N ASP A 3 20.792 -6.092 5.546 1.00 14.52 N ATOM 28 CA ASP A 3 20.413 -7.462 5.298 1.00 74.51 C ATOM 29 C ASP A 3 18.997 -7.356 4.871 1.00 24.24 C ATOM 30 O ASP A 3 18.394 -6.314 5.134 1.00 62.12 O ATOM 31 CB ASP A 3 20.511 -8.367 6.549 1.00 11.13 C ATOM 32 CG ASP A 3 19.456 -8.093 7.606 1.00 52.31 C ATOM 33 OD1 ASP A 3 18.358 -8.684 7.536 1.00 71.52 O ATOM 34 OD2 ASP A 3 19.720 -7.305 8.551 1.00 51.30 O ATOM 0 H ASP A 3 20.013 -5.516 5.866 1.00 14.52 H new ATOM 0 HA ASP A 3 21.077 -7.922 4.567 1.00 74.51 H new ATOM 0 HB2 ASP A 3 20.432 -9.408 6.236 1.00 11.13 H new ATOM 0 HB3 ASP A 3 21.497 -8.242 6.996 1.00 11.13 H new ATOM 39 N SER A 4 18.469 -8.368 4.224 1.00 75.20 N ATOM 40 CA SER A 4 17.118 -8.332 3.704 1.00 54.31 C ATOM 41 C SER A 4 17.018 -7.224 2.644 1.00 61.30 C ATOM 42 O SER A 4 16.512 -6.119 2.900 1.00 42.32 O ATOM 43 CB SER A 4 16.089 -8.164 4.837 1.00 41.45 C ATOM 44 OG SER A 4 16.301 -9.142 5.852 1.00 13.52 O ATOM 0 H SER A 4 18.963 -9.242 4.042 1.00 75.20 H new ATOM 0 HA SER A 4 16.882 -9.283 3.226 1.00 54.31 H new ATOM 0 HB2 SER A 4 16.169 -7.164 5.264 1.00 41.45 H new ATOM 0 HB3 SER A 4 15.080 -8.259 4.437 1.00 41.45 H new ATOM 0 HG SER A 4 16.923 -8.789 6.522 1.00 13.52 H new ATOM 50 N VAL A 5 17.606 -7.501 1.491 1.00 24.43 N ATOM 51 CA VAL A 5 17.688 -6.564 0.394 1.00 31.24 C ATOM 52 C VAL A 5 16.311 -6.166 -0.102 1.00 55.32 C ATOM 53 O VAL A 5 16.008 -4.988 -0.214 1.00 73.04 O ATOM 54 CB VAL A 5 18.507 -7.153 -0.772 1.00 53.43 C ATOM 55 CG1 VAL A 5 18.622 -6.158 -1.898 1.00 63.22 C ATOM 56 CG2 VAL A 5 19.877 -7.564 -0.294 1.00 22.42 C ATOM 0 H VAL A 5 18.046 -8.400 1.293 1.00 24.43 H new ATOM 0 HA VAL A 5 18.191 -5.673 0.770 1.00 31.24 H new ATOM 0 HB VAL A 5 17.987 -8.035 -1.146 1.00 53.43 H new ATOM 0 HG11 VAL A 5 19.204 -6.594 -2.710 1.00 63.22 H new ATOM 0 HG12 VAL A 5 17.626 -5.902 -2.261 1.00 63.22 H new ATOM 0 HG13 VAL A 5 19.119 -5.257 -1.538 1.00 63.22 H new ATOM 0 HG21 VAL A 5 20.444 -7.978 -1.128 1.00 22.42 H new ATOM 0 HG22 VAL A 5 20.400 -6.694 0.104 1.00 22.42 H new ATOM 0 HG23 VAL A 5 19.779 -8.317 0.488 1.00 22.42 H new ATOM 66 N GLU A 6 15.468 -7.149 -0.329 1.00 52.15 N ATOM 67 CA GLU A 6 14.124 -6.911 -0.848 1.00 71.53 C ATOM 68 C GLU A 6 13.295 -6.158 0.169 1.00 71.31 C ATOM 69 O GLU A 6 12.454 -5.341 -0.180 1.00 0.41 O ATOM 70 CB GLU A 6 13.465 -8.225 -1.233 1.00 2.54 C ATOM 71 CG GLU A 6 14.224 -8.981 -2.305 1.00 25.25 C ATOM 72 CD GLU A 6 14.179 -8.305 -3.663 1.00 33.03 C ATOM 73 OE1 GLU A 6 14.669 -7.174 -3.816 1.00 23.24 O ATOM 74 OE2 GLU A 6 13.635 -8.902 -4.619 1.00 31.10 O ATOM 0 H GLU A 6 15.685 -8.132 -0.163 1.00 52.15 H new ATOM 0 HA GLU A 6 14.195 -6.297 -1.746 1.00 71.53 H new ATOM 0 HB2 GLU A 6 13.377 -8.854 -0.347 1.00 2.54 H new ATOM 0 HB3 GLU A 6 12.452 -8.027 -1.585 1.00 2.54 H new ATOM 0 HG2 GLU A 6 15.263 -9.090 -1.996 1.00 25.25 H new ATOM 0 HG3 GLU A 6 13.810 -9.986 -2.393 1.00 25.25 H new ATOM 81 N PHE A 7 13.574 -6.414 1.423 1.00 13.40 N ATOM 82 CA PHE A 7 12.951 -5.714 2.506 1.00 63.41 C ATOM 83 C PHE A 7 13.424 -4.286 2.494 1.00 30.02 C ATOM 84 O PHE A 7 12.636 -3.403 2.545 1.00 55.13 O ATOM 85 CB PHE A 7 13.291 -6.408 3.805 1.00 35.43 C ATOM 86 CG PHE A 7 12.749 -5.794 5.048 1.00 65.03 C ATOM 87 CD1 PHE A 7 11.447 -6.021 5.428 1.00 41.30 C ATOM 88 CD2 PHE A 7 13.557 -5.016 5.846 1.00 53.30 C ATOM 89 CE1 PHE A 7 10.947 -5.476 6.595 1.00 25.12 C ATOM 90 CE2 PHE A 7 13.073 -4.466 7.017 1.00 72.44 C ATOM 91 CZ PHE A 7 11.762 -4.697 7.393 1.00 72.31 C ATOM 0 H PHE A 7 14.247 -7.122 1.718 1.00 13.40 H new ATOM 0 HA PHE A 7 11.866 -5.715 2.400 1.00 63.41 H new ATOM 0 HB2 PHE A 7 12.931 -7.435 3.747 1.00 35.43 H new ATOM 0 HB3 PHE A 7 14.376 -6.455 3.893 1.00 35.43 H new ATOM 0 HD1 PHE A 7 10.808 -6.632 4.807 1.00 41.30 H new ATOM 0 HD2 PHE A 7 14.580 -4.834 5.553 1.00 53.30 H new ATOM 0 HE1 PHE A 7 9.922 -5.659 6.882 1.00 25.12 H new ATOM 0 HE2 PHE A 7 13.716 -3.858 7.637 1.00 72.44 H new ATOM 0 HZ PHE A 7 11.377 -4.270 8.307 1.00 72.31 H new ATOM 101 N ASN A 8 14.718 -4.073 2.360 1.00 2.41 N ATOM 102 CA ASN A 8 15.272 -2.713 2.282 1.00 45.02 C ATOM 103 C ASN A 8 14.776 -1.965 1.066 1.00 11.20 C ATOM 104 O ASN A 8 14.602 -0.749 1.109 1.00 33.45 O ATOM 105 CB ASN A 8 16.794 -2.693 2.343 1.00 42.43 C ATOM 106 CG ASN A 8 17.321 -2.661 3.758 1.00 22.54 C ATOM 107 OD1 ASN A 8 17.524 -1.590 4.324 1.00 11.15 O ATOM 108 ND2 ASN A 8 17.536 -3.798 4.346 1.00 44.13 N ATOM 0 H ASN A 8 15.415 -4.816 2.302 1.00 2.41 H new ATOM 0 HA ASN A 8 14.906 -2.194 3.168 1.00 45.02 H new ATOM 0 HB2 ASN A 8 17.185 -3.574 1.834 1.00 42.43 H new ATOM 0 HB3 ASN A 8 17.164 -1.822 1.802 1.00 42.43 H new ATOM 0 HD21 ASN A 8 17.883 -3.819 5.305 1.00 44.13 H new ATOM 0 HD22 ASN A 8 17.358 -4.671 3.849 1.00 44.13 H new ATOM 115 N ASN A 9 14.548 -2.680 -0.013 1.00 62.04 N ATOM 116 CA ASN A 9 13.951 -2.104 -1.215 1.00 64.43 C ATOM 117 C ASN A 9 12.541 -1.659 -0.893 1.00 12.14 C ATOM 118 O ASN A 9 12.142 -0.529 -1.193 1.00 14.53 O ATOM 119 CB ASN A 9 13.959 -3.112 -2.378 1.00 32.23 C ATOM 120 CG ASN A 9 15.356 -3.384 -2.916 1.00 65.11 C ATOM 121 OD1 ASN A 9 16.225 -2.517 -2.888 1.00 72.22 O ATOM 122 ND2 ASN A 9 15.599 -4.585 -3.380 1.00 22.10 N ATOM 0 H ASN A 9 14.767 -3.673 -0.090 1.00 62.04 H new ATOM 0 HA ASN A 9 14.540 -1.244 -1.534 1.00 64.43 H new ATOM 0 HB2 ASN A 9 13.515 -4.049 -2.043 1.00 32.23 H new ATOM 0 HB3 ASN A 9 13.332 -2.733 -3.185 1.00 32.23 H new ATOM 0 HD21 ASN A 9 16.528 -4.818 -3.729 1.00 22.10 H new ATOM 0 HD22 ASN A 9 14.859 -5.287 -3.392 1.00 22.10 H new ATOM 129 N ALA A 10 11.818 -2.536 -0.217 1.00 3.52 N ATOM 130 CA ALA A 10 10.483 -2.262 0.273 1.00 34.34 C ATOM 131 C ALA A 10 10.510 -1.057 1.227 1.00 1.53 C ATOM 132 O ALA A 10 9.672 -0.158 1.136 1.00 52.31 O ATOM 133 CB ALA A 10 9.931 -3.506 0.983 1.00 41.35 C ATOM 0 H ALA A 10 12.150 -3.473 0.009 1.00 3.52 H new ATOM 0 HA ALA A 10 9.830 -2.019 -0.566 1.00 34.34 H new ATOM 0 HB1 ALA A 10 8.926 -3.299 1.351 1.00 41.35 H new ATOM 0 HB2 ALA A 10 9.896 -4.340 0.282 1.00 41.35 H new ATOM 0 HB3 ALA A 10 10.579 -3.764 1.821 1.00 41.35 H new ATOM 139 N ILE A 11 11.506 -1.028 2.112 1.00 55.14 N ATOM 140 CA ILE A 11 11.651 0.053 3.072 1.00 10.43 C ATOM 141 C ILE A 11 11.943 1.351 2.359 1.00 2.30 C ATOM 142 O ILE A 11 11.471 2.376 2.756 1.00 60.43 O ATOM 143 CB ILE A 11 12.763 -0.179 4.130 1.00 4.40 C ATOM 144 CG1 ILE A 11 12.637 -1.546 4.791 1.00 30.05 C ATOM 145 CG2 ILE A 11 12.734 0.917 5.193 1.00 52.05 C ATOM 146 CD1 ILE A 11 11.232 -1.994 5.149 1.00 55.13 C ATOM 0 H ILE A 11 12.226 -1.748 2.180 1.00 55.14 H new ATOM 0 HA ILE A 11 10.700 0.092 3.602 1.00 10.43 H new ATOM 0 HB ILE A 11 13.718 -0.144 3.606 1.00 4.40 H new ATOM 0 HG12 ILE A 11 13.074 -2.290 4.124 1.00 30.05 H new ATOM 0 HG13 ILE A 11 13.237 -1.542 5.701 1.00 30.05 H new ATOM 0 HG21 ILE A 11 13.521 0.735 5.925 1.00 52.05 H new ATOM 0 HG22 ILE A 11 12.894 1.886 4.721 1.00 52.05 H new ATOM 0 HG23 ILE A 11 11.766 0.913 5.693 1.00 52.05 H new ATOM 0 HD11 ILE A 11 11.271 -2.980 5.612 1.00 55.13 H new ATOM 0 HD12 ILE A 11 10.790 -1.283 5.847 1.00 55.13 H new ATOM 0 HD13 ILE A 11 10.624 -2.042 4.246 1.00 55.13 H new ATOM 158 N SER A 12 12.711 1.285 1.286 1.00 32.32 N ATOM 159 CA SER A 12 13.042 2.460 0.504 1.00 12.13 C ATOM 160 C SER A 12 11.780 3.084 -0.090 1.00 73.54 C ATOM 161 O SER A 12 11.626 4.306 -0.071 1.00 2.21 O ATOM 162 CB SER A 12 14.083 2.121 -0.566 1.00 74.35 C ATOM 163 OG SER A 12 15.287 1.633 0.047 1.00 61.02 O ATOM 0 H SER A 12 13.120 0.419 0.935 1.00 32.32 H new ATOM 0 HA SER A 12 13.490 3.206 1.160 1.00 12.13 H new ATOM 0 HB2 SER A 12 13.683 1.370 -1.247 1.00 74.35 H new ATOM 0 HB3 SER A 12 14.303 3.006 -1.162 1.00 74.35 H new ATOM 0 HG SER A 12 15.075 0.866 0.618 1.00 61.02 H new ATOM 169 N TYR A 13 10.863 2.233 -0.543 1.00 70.51 N ATOM 170 CA TYR A 13 9.564 2.671 -1.036 1.00 74.25 C ATOM 171 C TYR A 13 8.787 3.346 0.101 1.00 50.30 C ATOM 172 O TYR A 13 8.234 4.431 -0.066 1.00 23.13 O ATOM 173 CB TYR A 13 8.786 1.456 -1.589 1.00 41.13 C ATOM 174 CG TYR A 13 7.339 1.719 -1.993 1.00 44.40 C ATOM 175 CD1 TYR A 13 7.005 2.119 -3.279 1.00 52.11 C ATOM 176 CD2 TYR A 13 6.304 1.535 -1.079 1.00 54.13 C ATOM 177 CE1 TYR A 13 5.682 2.323 -3.639 1.00 55.21 C ATOM 178 CE2 TYR A 13 4.991 1.741 -1.431 1.00 2.12 C ATOM 179 CZ TYR A 13 4.682 2.132 -2.706 1.00 32.32 C ATOM 180 OH TYR A 13 3.372 2.324 -3.054 1.00 64.11 O ATOM 0 H TYR A 13 11.001 1.223 -0.578 1.00 70.51 H new ATOM 0 HA TYR A 13 9.696 3.393 -1.842 1.00 74.25 H new ATOM 0 HB2 TYR A 13 9.321 1.071 -2.457 1.00 41.13 H new ATOM 0 HB3 TYR A 13 8.795 0.669 -0.835 1.00 41.13 H new ATOM 0 HD1 TYR A 13 7.786 2.273 -4.009 1.00 52.11 H new ATOM 0 HD2 TYR A 13 6.538 1.224 -0.072 1.00 54.13 H new ATOM 0 HE1 TYR A 13 5.434 2.630 -4.644 1.00 55.21 H new ATOM 0 HE2 TYR A 13 4.206 1.595 -0.704 1.00 2.12 H new ATOM 0 HH TYR A 13 3.326 2.725 -3.947 1.00 64.11 H new ATOM 190 N VAL A 14 8.791 2.710 1.261 1.00 54.32 N ATOM 191 CA VAL A 14 8.100 3.228 2.429 1.00 71.32 C ATOM 192 C VAL A 14 8.743 4.531 2.935 1.00 11.12 C ATOM 193 O VAL A 14 8.051 5.485 3.244 1.00 23.32 O ATOM 194 CB VAL A 14 8.029 2.188 3.580 1.00 14.01 C ATOM 195 CG1 VAL A 14 7.355 2.797 4.791 1.00 1.52 C ATOM 196 CG2 VAL A 14 7.265 0.954 3.131 1.00 74.42 C ATOM 0 H VAL A 14 9.271 1.824 1.419 1.00 54.32 H new ATOM 0 HA VAL A 14 7.081 3.444 2.109 1.00 71.32 H new ATOM 0 HB VAL A 14 9.045 1.896 3.847 1.00 14.01 H new ATOM 0 HG11 VAL A 14 7.310 2.059 5.592 1.00 1.52 H new ATOM 0 HG12 VAL A 14 7.924 3.664 5.127 1.00 1.52 H new ATOM 0 HG13 VAL A 14 6.344 3.107 4.527 1.00 1.52 H new ATOM 0 HG21 VAL A 14 7.224 0.234 3.948 1.00 74.42 H new ATOM 0 HG22 VAL A 14 6.252 1.237 2.845 1.00 74.42 H new ATOM 0 HG23 VAL A 14 7.770 0.504 2.277 1.00 74.42 H new ATOM 206 N ASN A 15 10.058 4.558 2.997 1.00 10.31 N ATOM 207 CA ASN A 15 10.822 5.695 3.432 1.00 3.23 C ATOM 208 C ASN A 15 10.594 6.875 2.500 1.00 34.13 C ATOM 209 O ASN A 15 10.564 8.034 2.921 1.00 14.22 O ATOM 210 CB ASN A 15 12.263 5.288 3.393 1.00 13.34 C ATOM 211 CG ASN A 15 13.215 6.336 3.834 1.00 13.35 C ATOM 212 OD1 ASN A 15 12.914 7.184 4.677 1.00 31.53 O ATOM 213 ND2 ASN A 15 14.360 6.290 3.279 1.00 2.43 N ATOM 0 H ASN A 15 10.638 3.760 2.736 1.00 10.31 H new ATOM 0 HA ASN A 15 10.523 6.001 4.435 1.00 3.23 H new ATOM 0 HB2 ASN A 15 12.395 4.408 4.023 1.00 13.34 H new ATOM 0 HB3 ASN A 15 12.515 4.992 2.375 1.00 13.34 H new ATOM 0 HD21 ASN A 15 15.075 6.974 3.527 1.00 2.43 H new ATOM 0 HD22 ASN A 15 14.562 5.569 2.586 1.00 2.43 H new ATOM 220 N LYS A 16 10.431 6.553 1.240 1.00 25.41 N ATOM 221 CA LYS A 16 10.138 7.512 0.204 1.00 74.42 C ATOM 222 C LYS A 16 8.786 8.163 0.506 1.00 10.41 C ATOM 223 O LYS A 16 8.634 9.382 0.395 1.00 3.03 O ATOM 224 CB LYS A 16 10.115 6.771 -1.125 1.00 42.12 C ATOM 225 CG LYS A 16 9.956 7.594 -2.353 1.00 22.12 C ATOM 226 CD LYS A 16 9.970 6.664 -3.541 1.00 11.15 C ATOM 227 CE LYS A 16 9.717 7.382 -4.831 1.00 32.52 C ATOM 228 NZ LYS A 16 10.831 8.253 -5.260 1.00 64.21 N ATOM 0 H LYS A 16 10.500 5.594 0.899 1.00 25.41 H new ATOM 0 HA LYS A 16 10.891 8.299 0.158 1.00 74.42 H new ATOM 0 HB2 LYS A 16 11.043 6.205 -1.214 1.00 42.12 H new ATOM 0 HB3 LYS A 16 9.301 6.046 -1.095 1.00 42.12 H new ATOM 0 HG2 LYS A 16 9.022 8.154 -2.318 1.00 22.12 H new ATOM 0 HG3 LYS A 16 10.762 8.323 -2.430 1.00 22.12 H new ATOM 0 HD2 LYS A 16 10.935 6.159 -3.592 1.00 11.15 H new ATOM 0 HD3 LYS A 16 9.213 5.892 -3.404 1.00 11.15 H new ATOM 0 HE2 LYS A 16 9.522 6.647 -5.612 1.00 32.52 H new ATOM 0 HE3 LYS A 16 8.815 7.986 -4.729 1.00 32.52 H new ATOM 0 HZ1 LYS A 16 10.644 8.609 -6.219 1.00 64.21 H new ATOM 0 HZ2 LYS A 16 10.917 9.055 -4.604 1.00 64.21 H new ATOM 0 HZ3 LYS A 16 11.717 7.709 -5.259 1.00 64.21 H new ATOM 242 N ILE A 17 7.827 7.337 0.931 1.00 52.53 N ATOM 243 CA ILE A 17 6.531 7.801 1.359 1.00 71.14 C ATOM 244 C ILE A 17 6.699 8.677 2.596 1.00 34.35 C ATOM 245 O ILE A 17 6.207 9.809 2.625 1.00 42.22 O ATOM 246 CB ILE A 17 5.602 6.616 1.730 1.00 61.42 C ATOM 247 CG1 ILE A 17 5.379 5.681 0.544 1.00 24.52 C ATOM 248 CG2 ILE A 17 4.283 7.129 2.259 1.00 64.14 C ATOM 249 CD1 ILE A 17 4.529 4.469 0.870 1.00 13.42 C ATOM 0 H ILE A 17 7.941 6.325 0.983 1.00 52.53 H new ATOM 0 HA ILE A 17 6.083 8.359 0.537 1.00 71.14 H new ATOM 0 HB ILE A 17 6.095 6.039 2.512 1.00 61.42 H new ATOM 0 HG12 ILE A 17 4.904 6.240 -0.262 1.00 24.52 H new ATOM 0 HG13 ILE A 17 6.347 5.345 0.172 1.00 24.52 H new ATOM 0 HG21 ILE A 17 3.641 6.286 2.515 1.00 64.14 H new ATOM 0 HG22 ILE A 17 4.458 7.735 3.148 1.00 64.14 H new ATOM 0 HG23 ILE A 17 3.797 7.737 1.496 1.00 64.14 H new ATOM 0 HD11 ILE A 17 4.416 3.853 -0.022 1.00 13.42 H new ATOM 0 HD12 ILE A 17 5.012 3.886 1.654 1.00 13.42 H new ATOM 0 HD13 ILE A 17 3.547 4.795 1.213 1.00 13.42 H new ATOM 261 N LYS A 18 7.431 8.141 3.598 1.00 60.22 N ATOM 262 CA LYS A 18 7.675 8.834 4.866 1.00 21.03 C ATOM 263 C LYS A 18 8.180 10.234 4.601 1.00 32.10 C ATOM 264 O LYS A 18 7.618 11.166 5.048 1.00 1.25 O ATOM 265 CB LYS A 18 8.749 8.132 5.736 1.00 30.42 C ATOM 266 CG LYS A 18 8.471 6.733 6.162 1.00 11.21 C ATOM 267 CD LYS A 18 9.577 6.242 7.074 1.00 0.54 C ATOM 268 CE LYS A 18 9.459 4.768 7.318 1.00 11.15 C ATOM 269 NZ LYS A 18 10.466 4.277 8.281 1.00 4.42 N ATOM 0 H LYS A 18 7.864 7.219 3.543 1.00 60.22 H new ATOM 0 HA LYS A 18 6.723 8.834 5.396 1.00 21.03 H new ATOM 0 HB2 LYS A 18 9.688 8.136 5.182 1.00 30.42 H new ATOM 0 HB3 LYS A 18 8.904 8.733 6.632 1.00 30.42 H new ATOM 0 HG2 LYS A 18 7.513 6.685 6.679 1.00 11.21 H new ATOM 0 HG3 LYS A 18 8.394 6.086 5.288 1.00 11.21 H new ATOM 0 HD2 LYS A 18 10.546 6.464 6.627 1.00 0.54 H new ATOM 0 HD3 LYS A 18 9.534 6.776 8.023 1.00 0.54 H new ATOM 0 HE2 LYS A 18 8.461 4.543 7.693 1.00 11.15 H new ATOM 0 HE3 LYS A 18 9.572 4.235 6.374 1.00 11.15 H new ATOM 0 HZ1 LYS A 18 10.345 3.253 8.418 1.00 4.42 H new ATOM 0 HZ2 LYS A 18 11.420 4.467 7.913 1.00 4.42 H new ATOM 0 HZ3 LYS A 18 10.343 4.765 9.191 1.00 4.42 H new ATOM 283 N THR A 19 9.211 10.325 3.799 1.00 20.15 N ATOM 284 CA THR A 19 9.889 11.537 3.467 1.00 21.13 C ATOM 285 C THR A 19 8.994 12.537 2.704 1.00 73.24 C ATOM 286 O THR A 19 9.015 13.747 2.973 1.00 2.14 O ATOM 287 CB THR A 19 11.100 11.124 2.623 1.00 62.23 C ATOM 288 OG1 THR A 19 12.089 10.467 3.432 1.00 61.12 O ATOM 289 CG2 THR A 19 11.673 12.251 1.815 1.00 64.25 C ATOM 0 H THR A 19 9.615 9.509 3.340 1.00 20.15 H new ATOM 0 HA THR A 19 10.185 12.063 4.375 1.00 21.13 H new ATOM 0 HB THR A 19 10.742 10.404 1.887 1.00 62.23 H new ATOM 0 HG1 THR A 19 11.887 9.509 3.482 1.00 61.12 H new ATOM 0 HG21 THR A 19 12.527 11.890 1.242 1.00 64.25 H new ATOM 0 HG22 THR A 19 10.913 12.633 1.133 1.00 64.25 H new ATOM 0 HG23 THR A 19 11.996 13.050 2.483 1.00 64.25 H new ATOM 297 N ARG A 20 8.206 12.039 1.801 1.00 52.41 N ATOM 298 CA ARG A 20 7.378 12.878 0.969 1.00 54.11 C ATOM 299 C ARG A 20 6.199 13.456 1.703 1.00 75.35 C ATOM 300 O ARG A 20 5.620 14.455 1.280 1.00 24.23 O ATOM 301 CB ARG A 20 6.971 12.114 -0.275 1.00 4.23 C ATOM 302 CG ARG A 20 8.083 12.084 -1.324 1.00 4.41 C ATOM 303 CD ARG A 20 8.113 13.350 -2.209 1.00 74.22 C ATOM 304 NE ARG A 20 8.130 14.621 -1.450 1.00 43.34 N ATOM 305 CZ ARG A 20 9.077 15.575 -1.530 1.00 71.14 C ATOM 306 NH1 ARG A 20 10.161 15.394 -2.271 1.00 62.31 N ATOM 307 NH2 ARG A 20 8.918 16.717 -0.870 1.00 63.44 N ATOM 0 H ARG A 20 8.114 11.040 1.615 1.00 52.41 H new ATOM 0 HA ARG A 20 7.968 13.743 0.668 1.00 54.11 H new ATOM 0 HB2 ARG A 20 6.704 11.093 -0.001 1.00 4.23 H new ATOM 0 HB3 ARG A 20 6.080 12.572 -0.705 1.00 4.23 H new ATOM 0 HG2 ARG A 20 9.045 11.975 -0.823 1.00 4.41 H new ATOM 0 HG3 ARG A 20 7.953 11.207 -1.958 1.00 4.41 H new ATOM 0 HD2 ARG A 20 8.994 13.311 -2.850 1.00 74.22 H new ATOM 0 HD3 ARG A 20 7.242 13.343 -2.864 1.00 74.22 H new ATOM 0 HE ARG A 20 7.355 14.789 -0.809 1.00 43.34 H new ATOM 0 HH11 ARG A 20 10.285 14.524 -2.789 1.00 62.31 H new ATOM 0 HH12 ARG A 20 10.871 16.125 -2.323 1.00 62.31 H new ATOM 0 HH21 ARG A 20 8.082 16.868 -0.306 1.00 63.44 H new ATOM 0 HH22 ARG A 20 9.632 17.443 -0.927 1.00 63.44 H new ATOM 321 N PHE A 21 5.858 12.845 2.792 1.00 70.14 N ATOM 322 CA PHE A 21 4.752 13.270 3.605 1.00 0.01 C ATOM 323 C PHE A 21 5.220 13.311 5.045 1.00 21.41 C ATOM 324 O PHE A 21 4.461 13.071 5.972 1.00 14.42 O ATOM 325 CB PHE A 21 3.604 12.284 3.433 1.00 54.41 C ATOM 326 CG PHE A 21 3.154 12.130 2.002 1.00 15.33 C ATOM 327 CD1 PHE A 21 2.234 13.000 1.456 1.00 24.14 C ATOM 328 CD2 PHE A 21 3.644 11.102 1.215 1.00 11.22 C ATOM 329 CE1 PHE A 21 1.810 12.853 0.157 1.00 64.22 C ATOM 330 CE2 PHE A 21 3.228 10.945 -0.074 1.00 2.31 C ATOM 331 CZ PHE A 21 2.304 11.825 -0.610 1.00 15.23 C ATOM 0 H PHE A 21 6.344 12.024 3.151 1.00 70.14 H new ATOM 0 HA PHE A 21 4.401 14.259 3.311 1.00 0.01 H new ATOM 0 HB2 PHE A 21 3.911 11.311 3.816 1.00 54.41 H new ATOM 0 HB3 PHE A 21 2.759 12.613 4.038 1.00 54.41 H new ATOM 0 HD1 PHE A 21 1.842 13.807 2.057 1.00 24.14 H new ATOM 0 HD2 PHE A 21 4.367 10.414 1.628 1.00 11.22 H new ATOM 0 HE1 PHE A 21 1.091 13.543 -0.260 1.00 64.22 H new ATOM 0 HE2 PHE A 21 3.618 10.137 -0.675 1.00 2.31 H new ATOM 0 HZ PHE A 21 1.971 11.704 -1.630 1.00 15.23 H new ATOM 341 N LEU A 22 6.472 13.697 5.209 1.00 63.14 N ATOM 342 CA LEU A 22 7.173 13.647 6.475 1.00 20.41 C ATOM 343 C LEU A 22 6.577 14.577 7.521 1.00 42.30 C ATOM 344 O LEU A 22 6.718 14.349 8.713 1.00 51.34 O ATOM 345 CB LEU A 22 8.661 13.939 6.236 1.00 35.24 C ATOM 346 CG LEU A 22 9.665 12.899 6.686 1.00 11.34 C ATOM 347 CD1 LEU A 22 11.076 13.372 6.433 1.00 44.11 C ATOM 348 CD2 LEU A 22 9.477 12.576 8.115 1.00 24.53 C ATOM 0 H LEU A 22 7.042 14.062 4.446 1.00 63.14 H new ATOM 0 HA LEU A 22 7.061 12.644 6.886 1.00 20.41 H new ATOM 0 HB2 LEU A 22 8.803 14.102 5.168 1.00 35.24 H new ATOM 0 HB3 LEU A 22 8.903 14.877 6.736 1.00 35.24 H new ATOM 0 HG LEU A 22 9.498 11.993 6.103 1.00 11.34 H new ATOM 0 HD11 LEU A 22 11.780 12.609 6.764 1.00 44.11 H new ATOM 0 HD12 LEU A 22 11.213 13.554 5.367 1.00 44.11 H new ATOM 0 HD13 LEU A 22 11.255 14.295 6.985 1.00 44.11 H new ATOM 0 HD21 LEU A 22 10.208 11.827 8.418 1.00 24.53 H new ATOM 0 HD22 LEU A 22 9.612 13.478 8.713 1.00 24.53 H new ATOM 0 HD23 LEU A 22 8.471 12.185 8.270 1.00 24.53 H new ATOM 360 N ASP A 23 5.895 15.593 7.085 1.00 14.34 N ATOM 361 CA ASP A 23 5.291 16.528 8.015 1.00 61.30 C ATOM 362 C ASP A 23 3.819 16.182 8.195 1.00 43.41 C ATOM 363 O ASP A 23 3.110 16.775 9.008 1.00 14.51 O ATOM 364 CB ASP A 23 5.436 17.960 7.491 1.00 54.43 C ATOM 365 CG ASP A 23 5.162 19.002 8.548 1.00 25.15 C ATOM 366 OD1 ASP A 23 6.088 19.303 9.331 1.00 13.41 O ATOM 367 OD2 ASP A 23 4.038 19.555 8.613 1.00 40.21 O ATOM 0 H ASP A 23 5.738 15.804 6.100 1.00 14.34 H new ATOM 0 HA ASP A 23 5.798 16.458 8.977 1.00 61.30 H new ATOM 0 HB2 ASP A 23 6.445 18.099 7.103 1.00 54.43 H new ATOM 0 HB3 ASP A 23 4.751 18.107 6.656 1.00 54.43 H new ATOM 372 N HIS A 24 3.377 15.165 7.476 1.00 12.44 N ATOM 373 CA HIS A 24 1.974 14.796 7.438 1.00 22.00 C ATOM 374 C HIS A 24 1.771 13.315 7.805 1.00 55.04 C ATOM 375 O HIS A 24 1.560 12.469 6.921 1.00 42.32 O ATOM 376 CB HIS A 24 1.398 15.060 6.039 1.00 44.51 C ATOM 377 CG HIS A 24 1.432 16.494 5.593 1.00 1.33 C ATOM 378 ND1 HIS A 24 2.539 17.108 5.037 1.00 20.43 N ATOM 379 CD2 HIS A 24 0.470 17.434 5.632 1.00 72.45 C ATOM 380 CE1 HIS A 24 2.219 18.372 4.770 1.00 1.43 C ATOM 381 NE2 HIS A 24 0.972 18.627 5.112 1.00 20.41 N ATOM 0 H HIS A 24 3.979 14.573 6.904 1.00 12.44 H new ATOM 0 HA HIS A 24 1.450 15.406 8.174 1.00 22.00 H new ATOM 0 HB2 HIS A 24 1.950 14.459 5.317 1.00 44.51 H new ATOM 0 HB3 HIS A 24 0.365 14.714 6.018 1.00 44.51 H new ATOM 0 HD2 HIS A 24 -0.532 17.288 6.007 1.00 72.45 H new ATOM 0 HE1 HIS A 24 2.892 19.093 4.331 1.00 1.43 H new ATOM 0 HE2 HIS A 24 0.476 19.513 5.016 1.00 20.41 H new ATOM 389 N PRO A 25 1.843 12.969 9.110 1.00 33.22 N ATOM 390 CA PRO A 25 1.683 11.582 9.584 1.00 44.50 C ATOM 391 C PRO A 25 0.332 10.971 9.203 1.00 34.04 C ATOM 392 O PRO A 25 0.228 9.760 9.029 1.00 60.24 O ATOM 393 CB PRO A 25 1.801 11.699 11.108 1.00 71.45 C ATOM 394 CG PRO A 25 2.552 12.961 11.326 1.00 32.22 C ATOM 395 CD PRO A 25 2.122 13.885 10.228 1.00 52.12 C ATOM 0 HA PRO A 25 2.425 10.924 9.133 1.00 44.50 H new ATOM 0 HB2 PRO A 25 0.819 11.734 11.581 1.00 71.45 H new ATOM 0 HB3 PRO A 25 2.329 10.845 11.532 1.00 71.45 H new ATOM 0 HG2 PRO A 25 2.328 13.385 12.305 1.00 32.22 H new ATOM 0 HG3 PRO A 25 3.628 12.787 11.292 1.00 32.22 H new ATOM 0 HD2 PRO A 25 1.239 14.460 10.508 1.00 52.12 H new ATOM 0 HD3 PRO A 25 2.903 14.602 9.976 1.00 52.12 H new ATOM 403 N GLU A 26 -0.687 11.823 9.057 1.00 22.30 N ATOM 404 CA GLU A 26 -2.030 11.402 8.693 1.00 54.21 C ATOM 405 C GLU A 26 -2.034 10.612 7.373 1.00 42.21 C ATOM 406 O GLU A 26 -2.670 9.585 7.266 1.00 23.55 O ATOM 407 CB GLU A 26 -2.947 12.623 8.579 1.00 25.20 C ATOM 408 CG GLU A 26 -2.538 13.586 7.489 1.00 14.04 C ATOM 409 CD GLU A 26 -3.451 14.753 7.344 1.00 21.30 C ATOM 410 OE1 GLU A 26 -4.439 14.655 6.601 1.00 55.13 O ATOM 411 OE2 GLU A 26 -3.202 15.795 7.965 1.00 13.22 O ATOM 0 H GLU A 26 -0.596 12.830 9.191 1.00 22.30 H new ATOM 0 HA GLU A 26 -2.401 10.742 9.478 1.00 54.21 H new ATOM 0 HB2 GLU A 26 -3.966 12.285 8.391 1.00 25.20 H new ATOM 0 HB3 GLU A 26 -2.957 13.150 9.533 1.00 25.20 H new ATOM 0 HG2 GLU A 26 -1.531 13.948 7.696 1.00 14.04 H new ATOM 0 HG3 GLU A 26 -2.495 13.050 6.541 1.00 14.04 H new ATOM 418 N ILE A 27 -1.250 11.081 6.419 1.00 12.32 N ATOM 419 CA ILE A 27 -1.177 10.520 5.087 1.00 74.53 C ATOM 420 C ILE A 27 -0.535 9.159 5.136 1.00 42.04 C ATOM 421 O ILE A 27 -1.020 8.199 4.534 1.00 42.00 O ATOM 422 CB ILE A 27 -0.375 11.479 4.189 1.00 32.22 C ATOM 423 CG1 ILE A 27 -1.123 12.819 4.149 1.00 1.01 C ATOM 424 CG2 ILE A 27 -0.150 10.901 2.789 1.00 54.45 C ATOM 425 CD1 ILE A 27 -0.509 13.867 3.286 1.00 32.35 C ATOM 0 H ILE A 27 -0.633 11.882 6.555 1.00 12.32 H new ATOM 0 HA ILE A 27 -2.179 10.401 4.674 1.00 74.53 H new ATOM 0 HB ILE A 27 0.623 11.627 4.602 1.00 32.22 H new ATOM 0 HG12 ILE A 27 -2.141 12.638 3.803 1.00 1.01 H new ATOM 0 HG13 ILE A 27 -1.196 13.206 5.165 1.00 1.01 H new ATOM 0 HG21 ILE A 27 0.420 11.611 2.190 1.00 54.45 H new ATOM 0 HG22 ILE A 27 0.403 9.965 2.866 1.00 54.45 H new ATOM 0 HG23 ILE A 27 -1.113 10.715 2.313 1.00 54.45 H new ATOM 0 HD11 ILE A 27 -1.114 14.773 3.328 1.00 32.35 H new ATOM 0 HD12 ILE A 27 0.498 14.086 3.641 1.00 32.35 H new ATOM 0 HD13 ILE A 27 -0.462 13.509 2.257 1.00 32.35 H new ATOM 437 N TYR A 28 0.521 9.083 5.906 1.00 34.01 N ATOM 438 CA TYR A 28 1.253 7.862 6.117 1.00 22.04 C ATOM 439 C TYR A 28 0.311 6.840 6.761 1.00 2.24 C ATOM 440 O TYR A 28 0.127 5.733 6.258 1.00 3.14 O ATOM 441 CB TYR A 28 2.414 8.165 7.070 1.00 34.21 C ATOM 442 CG TYR A 28 3.456 7.082 7.182 1.00 3.22 C ATOM 443 CD1 TYR A 28 4.354 6.845 6.148 1.00 24.04 C ATOM 444 CD2 TYR A 28 3.544 6.298 8.319 1.00 5.33 C ATOM 445 CE1 TYR A 28 5.297 5.853 6.248 1.00 52.12 C ATOM 446 CE2 TYR A 28 4.491 5.305 8.428 1.00 51.43 C ATOM 447 CZ TYR A 28 5.362 5.082 7.393 1.00 4.25 C ATOM 448 OH TYR A 28 6.309 4.094 7.508 1.00 42.15 O ATOM 0 H TYR A 28 0.902 9.882 6.412 1.00 34.01 H new ATOM 0 HA TYR A 28 1.637 7.464 5.177 1.00 22.04 H new ATOM 0 HB2 TYR A 28 2.902 9.083 6.741 1.00 34.21 H new ATOM 0 HB3 TYR A 28 2.007 8.358 8.062 1.00 34.21 H new ATOM 0 HD1 TYR A 28 4.309 7.449 5.254 1.00 24.04 H new ATOM 0 HD2 TYR A 28 2.858 6.468 9.135 1.00 5.33 H new ATOM 0 HE1 TYR A 28 5.986 5.676 5.435 1.00 52.12 H new ATOM 0 HE2 TYR A 28 4.548 4.705 9.324 1.00 51.43 H new ATOM 0 HH TYR A 28 6.215 3.650 8.377 1.00 42.15 H new ATOM 458 N ARG A 29 -0.325 7.278 7.835 1.00 11.52 N ATOM 459 CA ARG A 29 -1.216 6.485 8.641 1.00 74.43 C ATOM 460 C ARG A 29 -2.409 5.965 7.825 1.00 54.44 C ATOM 461 O ARG A 29 -2.735 4.772 7.882 1.00 15.14 O ATOM 462 CB ARG A 29 -1.725 7.355 9.769 1.00 74.11 C ATOM 463 CG ARG A 29 -2.413 6.614 10.868 1.00 14.11 C ATOM 464 CD ARG A 29 -2.973 7.585 11.874 1.00 11.34 C ATOM 465 NE ARG A 29 -3.456 6.917 13.081 1.00 65.20 N ATOM 466 CZ ARG A 29 -4.621 7.147 13.695 1.00 14.35 C ATOM 467 NH1 ARG A 29 -5.552 7.912 13.130 1.00 72.22 N ATOM 468 NH2 ARG A 29 -4.853 6.592 14.876 1.00 41.51 N ATOM 0 H ARG A 29 -0.226 8.234 8.176 1.00 11.52 H new ATOM 0 HA ARG A 29 -0.673 5.620 9.021 1.00 74.43 H new ATOM 0 HB2 ARG A 29 -0.885 7.906 10.192 1.00 74.11 H new ATOM 0 HB3 ARG A 29 -2.416 8.092 9.358 1.00 74.11 H new ATOM 0 HG2 ARG A 29 -3.215 6.001 10.457 1.00 14.11 H new ATOM 0 HG3 ARG A 29 -1.712 5.937 11.356 1.00 14.11 H new ATOM 0 HD2 ARG A 29 -2.204 8.308 12.145 1.00 11.34 H new ATOM 0 HD3 ARG A 29 -3.790 8.145 11.419 1.00 11.34 H new ATOM 0 HE ARG A 29 -2.848 6.210 13.493 1.00 65.20 H new ATOM 0 HH11 ARG A 29 -5.381 8.332 12.216 1.00 72.22 H new ATOM 0 HH12 ARG A 29 -6.436 8.078 13.611 1.00 72.22 H new ATOM 0 HH21 ARG A 29 -4.146 5.996 15.307 1.00 41.51 H new ATOM 0 HH22 ARG A 29 -5.738 6.761 15.354 1.00 41.51 H new ATOM 482 N SER A 30 -3.058 6.860 7.088 1.00 3.52 N ATOM 483 CA SER A 30 -4.198 6.509 6.261 1.00 53.43 C ATOM 484 C SER A 30 -3.827 5.566 5.136 1.00 1.11 C ATOM 485 O SER A 30 -4.626 4.775 4.694 1.00 42.10 O ATOM 486 CB SER A 30 -4.889 7.759 5.733 1.00 11.25 C ATOM 487 OG SER A 30 -5.440 8.499 6.809 1.00 14.13 O ATOM 0 H SER A 30 -2.806 7.848 7.050 1.00 3.52 H new ATOM 0 HA SER A 30 -4.902 5.972 6.896 1.00 53.43 H new ATOM 0 HB2 SER A 30 -4.176 8.375 5.185 1.00 11.25 H new ATOM 0 HB3 SER A 30 -5.676 7.481 5.031 1.00 11.25 H new ATOM 0 HG SER A 30 -4.735 9.029 7.237 1.00 14.13 H new ATOM 493 N PHE A 31 -2.630 5.645 4.662 1.00 3.41 N ATOM 494 CA PHE A 31 -2.217 4.697 3.677 1.00 24.42 C ATOM 495 C PHE A 31 -1.960 3.332 4.314 1.00 53.15 C ATOM 496 O PHE A 31 -2.337 2.281 3.763 1.00 62.11 O ATOM 497 CB PHE A 31 -1.038 5.208 2.883 1.00 31.33 C ATOM 498 CG PHE A 31 -0.325 4.109 2.171 1.00 41.12 C ATOM 499 CD1 PHE A 31 -0.850 3.568 1.018 1.00 30.00 C ATOM 500 CD2 PHE A 31 0.843 3.585 2.692 1.00 43.25 C ATOM 501 CE1 PHE A 31 -0.227 2.526 0.381 1.00 62.14 C ATOM 502 CE2 PHE A 31 1.481 2.534 2.068 1.00 14.11 C ATOM 503 CZ PHE A 31 0.945 2.000 0.905 1.00 5.03 C ATOM 0 H PHE A 31 -1.932 6.338 4.931 1.00 3.41 H new ATOM 0 HA PHE A 31 -3.029 4.563 2.962 1.00 24.42 H new ATOM 0 HB2 PHE A 31 -1.382 5.946 2.158 1.00 31.33 H new ATOM 0 HB3 PHE A 31 -0.344 5.717 3.552 1.00 31.33 H new ATOM 0 HD1 PHE A 31 -1.765 3.970 0.610 1.00 30.00 H new ATOM 0 HD2 PHE A 31 1.260 4.003 3.596 1.00 43.25 H new ATOM 0 HE1 PHE A 31 -0.647 2.116 -0.526 1.00 62.14 H new ATOM 0 HE2 PHE A 31 2.393 2.129 2.482 1.00 14.11 H new ATOM 0 HZ PHE A 31 1.439 1.177 0.409 1.00 5.03 H new ATOM 513 N LEU A 32 -1.349 3.353 5.473 1.00 60.52 N ATOM 514 CA LEU A 32 -1.078 2.158 6.241 1.00 2.34 C ATOM 515 C LEU A 32 -2.362 1.409 6.589 1.00 73.21 C ATOM 516 O LEU A 32 -2.354 0.193 6.754 1.00 65.11 O ATOM 517 CB LEU A 32 -0.336 2.536 7.510 1.00 32.02 C ATOM 518 CG LEU A 32 1.088 3.038 7.347 1.00 61.34 C ATOM 519 CD1 LEU A 32 1.652 3.369 8.698 1.00 64.21 C ATOM 520 CD2 LEU A 32 1.966 2.017 6.622 1.00 40.13 C ATOM 0 H LEU A 32 -1.021 4.211 5.917 1.00 60.52 H new ATOM 0 HA LEU A 32 -0.464 1.492 5.634 1.00 2.34 H new ATOM 0 HB2 LEU A 32 -0.911 3.307 8.023 1.00 32.02 H new ATOM 0 HB3 LEU A 32 -0.316 1.664 8.164 1.00 32.02 H new ATOM 0 HG LEU A 32 1.074 3.937 6.731 1.00 61.34 H new ATOM 0 HD11 LEU A 32 2.674 3.730 8.587 1.00 64.21 H new ATOM 0 HD12 LEU A 32 1.043 4.142 9.167 1.00 64.21 H new ATOM 0 HD13 LEU A 32 1.648 2.476 9.323 1.00 64.21 H new ATOM 0 HD21 LEU A 32 2.977 2.411 6.524 1.00 40.13 H new ATOM 0 HD22 LEU A 32 1.992 1.089 7.193 1.00 40.13 H new ATOM 0 HD23 LEU A 32 1.555 1.822 5.631 1.00 40.13 H new ATOM 532 N GLU A 33 -3.464 2.131 6.686 1.00 22.52 N ATOM 533 CA GLU A 33 -4.736 1.527 7.021 1.00 73.33 C ATOM 534 C GLU A 33 -5.272 0.727 5.817 1.00 61.30 C ATOM 535 O GLU A 33 -5.918 -0.313 5.987 1.00 65.00 O ATOM 536 CB GLU A 33 -5.743 2.599 7.486 1.00 34.14 C ATOM 537 CG GLU A 33 -6.495 3.333 6.383 1.00 44.14 C ATOM 538 CD GLU A 33 -7.419 4.396 6.913 1.00 22.51 C ATOM 539 OE1 GLU A 33 -8.568 4.072 7.279 1.00 33.02 O ATOM 540 OE2 GLU A 33 -7.030 5.577 6.979 1.00 11.14 O ATOM 0 H GLU A 33 -3.501 3.139 6.537 1.00 22.52 H new ATOM 0 HA GLU A 33 -4.594 0.835 7.851 1.00 73.33 H new ATOM 0 HB2 GLU A 33 -6.473 2.123 8.141 1.00 34.14 H new ATOM 0 HB3 GLU A 33 -5.208 3.335 8.086 1.00 34.14 H new ATOM 0 HG2 GLU A 33 -5.777 3.789 5.702 1.00 44.14 H new ATOM 0 HG3 GLU A 33 -7.072 2.613 5.802 1.00 44.14 H new ATOM 547 N ILE A 34 -4.940 1.201 4.612 1.00 30.32 N ATOM 548 CA ILE A 34 -5.343 0.603 3.366 1.00 30.45 C ATOM 549 C ILE A 34 -4.630 -0.719 3.181 1.00 54.12 C ATOM 550 O ILE A 34 -5.251 -1.726 2.901 1.00 60.01 O ATOM 551 CB ILE A 34 -4.989 1.561 2.204 1.00 0.11 C ATOM 552 CG1 ILE A 34 -5.765 2.865 2.371 1.00 40.00 C ATOM 553 CG2 ILE A 34 -5.247 0.928 0.836 1.00 20.41 C ATOM 554 CD1 ILE A 34 -5.353 3.953 1.423 1.00 2.51 C ATOM 0 H ILE A 34 -4.367 2.036 4.489 1.00 30.32 H new ATOM 0 HA ILE A 34 -6.419 0.426 3.375 1.00 30.45 H new ATOM 0 HB ILE A 34 -3.920 1.772 2.244 1.00 0.11 H new ATOM 0 HG12 ILE A 34 -6.827 2.662 2.234 1.00 40.00 H new ATOM 0 HG13 ILE A 34 -5.638 3.222 3.393 1.00 40.00 H new ATOM 0 HG21 ILE A 34 -4.984 1.637 0.051 1.00 20.41 H new ATOM 0 HG22 ILE A 34 -4.640 0.029 0.731 1.00 20.41 H new ATOM 0 HG23 ILE A 34 -6.301 0.666 0.749 1.00 20.41 H new ATOM 0 HD11 ILE A 34 -5.953 4.844 1.609 1.00 2.51 H new ATOM 0 HD12 ILE A 34 -4.299 4.187 1.574 1.00 2.51 H new ATOM 0 HD13 ILE A 34 -5.507 3.619 0.397 1.00 2.51 H new ATOM 566 N LEU A 35 -3.332 -0.720 3.379 1.00 43.34 N ATOM 567 CA LEU A 35 -2.560 -1.947 3.238 1.00 42.35 C ATOM 568 C LEU A 35 -2.852 -2.928 4.342 1.00 45.04 C ATOM 569 O LEU A 35 -2.792 -4.146 4.139 1.00 50.25 O ATOM 570 CB LEU A 35 -1.066 -1.670 3.083 1.00 63.32 C ATOM 571 CG LEU A 35 -0.521 -1.783 1.648 1.00 74.45 C ATOM 572 CD1 LEU A 35 -0.517 -3.238 1.206 1.00 51.11 C ATOM 573 CD2 LEU A 35 -1.370 -0.963 0.680 1.00 3.54 C ATOM 0 H LEU A 35 -2.787 0.103 3.636 1.00 43.34 H new ATOM 0 HA LEU A 35 -2.883 -2.420 2.311 1.00 42.35 H new ATOM 0 HB2 LEU A 35 -0.859 -0.666 3.455 1.00 63.32 H new ATOM 0 HB3 LEU A 35 -0.517 -2.365 3.718 1.00 63.32 H new ATOM 0 HG LEU A 35 0.497 -1.395 1.640 1.00 74.45 H new ATOM 0 HD11 LEU A 35 -0.130 -3.308 0.190 1.00 51.11 H new ATOM 0 HD12 LEU A 35 0.115 -3.820 1.876 1.00 51.11 H new ATOM 0 HD13 LEU A 35 -1.534 -3.630 1.235 1.00 51.11 H new ATOM 0 HD21 LEU A 35 -0.966 -1.058 -0.328 1.00 3.54 H new ATOM 0 HD22 LEU A 35 -2.396 -1.330 0.696 1.00 3.54 H new ATOM 0 HD23 LEU A 35 -1.354 0.085 0.980 1.00 3.54 H new ATOM 585 N HIS A 36 -3.209 -2.412 5.486 1.00 2.05 N ATOM 586 CA HIS A 36 -3.588 -3.245 6.590 1.00 60.50 C ATOM 587 C HIS A 36 -4.925 -3.926 6.284 1.00 33.43 C ATOM 588 O HIS A 36 -5.059 -5.138 6.436 1.00 25.11 O ATOM 589 CB HIS A 36 -3.671 -2.421 7.880 1.00 4.22 C ATOM 590 CG HIS A 36 -4.000 -3.221 9.096 1.00 33.33 C ATOM 591 ND1 HIS A 36 -5.180 -3.108 9.788 1.00 44.11 N ATOM 592 CD2 HIS A 36 -3.268 -4.152 9.748 1.00 41.32 C ATOM 593 CE1 HIS A 36 -5.141 -3.946 10.814 1.00 32.44 C ATOM 594 NE2 HIS A 36 -3.994 -4.613 10.841 1.00 42.32 N ATOM 0 H HIS A 36 -3.245 -1.411 5.677 1.00 2.05 H new ATOM 0 HA HIS A 36 -2.830 -4.015 6.736 1.00 60.50 H new ATOM 0 HB2 HIS A 36 -2.718 -1.916 8.038 1.00 4.22 H new ATOM 0 HB3 HIS A 36 -4.426 -1.645 7.754 1.00 4.22 H new ATOM 0 HD1 HIS A 36 -5.954 -2.486 9.553 1.00 44.11 H new ATOM 0 HD2 HIS A 36 -2.280 -4.484 9.466 1.00 41.32 H new ATOM 0 HE1 HIS A 36 -5.937 -4.070 11.533 1.00 32.44 H new ATOM 602 N THR A 37 -5.882 -3.156 5.784 1.00 62.34 N ATOM 603 CA THR A 37 -7.193 -3.683 5.497 1.00 73.14 C ATOM 604 C THR A 37 -7.118 -4.606 4.266 1.00 52.13 C ATOM 605 O THR A 37 -7.863 -5.578 4.148 1.00 62.01 O ATOM 606 CB THR A 37 -8.231 -2.526 5.296 1.00 50.43 C ATOM 607 OG1 THR A 37 -9.555 -2.983 5.582 1.00 70.12 O ATOM 608 CG2 THR A 37 -8.207 -1.964 3.882 1.00 43.53 C ATOM 0 H THR A 37 -5.767 -2.165 5.571 1.00 62.34 H new ATOM 0 HA THR A 37 -7.538 -4.272 6.347 1.00 73.14 H new ATOM 0 HB THR A 37 -7.945 -1.733 5.988 1.00 50.43 H new ATOM 0 HG1 THR A 37 -10.190 -2.248 5.453 1.00 70.12 H new ATOM 0 HG21 THR A 37 -8.944 -1.166 3.795 1.00 43.53 H new ATOM 0 HG22 THR A 37 -7.215 -1.567 3.665 1.00 43.53 H new ATOM 0 HG23 THR A 37 -8.445 -2.756 3.172 1.00 43.53 H new ATOM 616 N TYR A 38 -6.163 -4.306 3.393 1.00 23.23 N ATOM 617 CA TYR A 38 -5.928 -5.058 2.180 1.00 53.40 C ATOM 618 C TYR A 38 -5.545 -6.491 2.530 1.00 41.10 C ATOM 619 O TYR A 38 -6.158 -7.458 2.068 1.00 2.04 O ATOM 620 CB TYR A 38 -4.778 -4.422 1.396 1.00 33.22 C ATOM 621 CG TYR A 38 -4.576 -5.006 0.033 1.00 24.25 C ATOM 622 CD1 TYR A 38 -5.415 -4.644 -0.969 1.00 12.51 C ATOM 623 CD2 TYR A 38 -3.546 -5.897 -0.251 1.00 24.04 C ATOM 624 CE1 TYR A 38 -5.263 -5.136 -2.258 1.00 13.02 C ATOM 625 CE2 TYR A 38 -3.372 -6.398 -1.534 1.00 63.45 C ATOM 626 CZ TYR A 38 -4.241 -6.009 -2.537 1.00 63.40 C ATOM 627 OH TYR A 38 -4.072 -6.471 -3.827 1.00 65.11 O ATOM 0 H TYR A 38 -5.524 -3.520 3.516 1.00 23.23 H new ATOM 0 HA TYR A 38 -6.837 -5.053 1.579 1.00 53.40 H new ATOM 0 HB2 TYR A 38 -4.966 -3.353 1.298 1.00 33.22 H new ATOM 0 HB3 TYR A 38 -3.857 -4.533 1.968 1.00 33.22 H new ATOM 0 HD1 TYR A 38 -6.221 -3.956 -0.759 1.00 12.51 H new ATOM 0 HD2 TYR A 38 -2.873 -6.203 0.537 1.00 24.04 H new ATOM 0 HE1 TYR A 38 -5.946 -4.833 -3.038 1.00 13.02 H new ATOM 0 HE2 TYR A 38 -2.566 -7.085 -1.747 1.00 63.45 H new ATOM 0 HH TYR A 38 -4.021 -7.450 -3.820 1.00 65.11 H new ATOM 637 N GLN A 39 -4.547 -6.605 3.395 1.00 62.53 N ATOM 638 CA GLN A 39 -4.030 -7.889 3.838 1.00 35.31 C ATOM 639 C GLN A 39 -5.075 -8.630 4.647 1.00 44.11 C ATOM 640 O GLN A 39 -5.117 -9.850 4.643 1.00 23.02 O ATOM 641 CB GLN A 39 -2.757 -7.692 4.655 1.00 23.34 C ATOM 642 CG GLN A 39 -1.612 -7.093 3.854 1.00 15.15 C ATOM 643 CD GLN A 39 -0.420 -6.746 4.711 1.00 33.41 C ATOM 644 OE1 GLN A 39 0.478 -7.560 4.919 1.00 51.44 O ATOM 645 NE2 GLN A 39 -0.395 -5.543 5.207 1.00 23.01 N ATOM 0 H GLN A 39 -4.072 -5.804 3.811 1.00 62.53 H new ATOM 0 HA GLN A 39 -3.788 -8.489 2.961 1.00 35.31 H new ATOM 0 HB2 GLN A 39 -2.975 -7.043 5.503 1.00 23.34 H new ATOM 0 HB3 GLN A 39 -2.442 -8.653 5.061 1.00 23.34 H new ATOM 0 HG2 GLN A 39 -1.306 -7.799 3.082 1.00 15.15 H new ATOM 0 HG3 GLN A 39 -1.961 -6.195 3.344 1.00 15.15 H new ATOM 0 HE21 GLN A 39 -1.158 -4.895 5.012 1.00 23.01 H new ATOM 0 HE22 GLN A 39 0.388 -5.248 5.790 1.00 23.01 H new ATOM 654 N LYS A 40 -5.930 -7.878 5.309 1.00 64.55 N ATOM 655 CA LYS A 40 -7.008 -8.434 6.088 1.00 24.31 C ATOM 656 C LYS A 40 -8.182 -8.915 5.261 1.00 61.42 C ATOM 657 O LYS A 40 -9.056 -9.584 5.769 1.00 41.24 O ATOM 658 CB LYS A 40 -7.423 -7.543 7.246 1.00 63.22 C ATOM 659 CG LYS A 40 -6.645 -7.868 8.517 1.00 64.42 C ATOM 660 CD LYS A 40 -5.138 -7.715 8.340 1.00 12.34 C ATOM 661 CE LYS A 40 -4.364 -8.214 9.546 1.00 30.43 C ATOM 662 NZ LYS A 40 -4.608 -7.415 10.765 1.00 55.22 N ATOM 0 H LYS A 40 -5.893 -6.859 5.319 1.00 64.55 H new ATOM 0 HA LYS A 40 -6.593 -9.337 6.535 1.00 24.31 H new ATOM 0 HB2 LYS A 40 -7.261 -6.499 6.978 1.00 63.22 H new ATOM 0 HB3 LYS A 40 -8.490 -7.663 7.432 1.00 63.22 H new ATOM 0 HG2 LYS A 40 -6.981 -7.213 9.321 1.00 64.42 H new ATOM 0 HG3 LYS A 40 -6.869 -8.890 8.824 1.00 64.42 H new ATOM 0 HD2 LYS A 40 -4.821 -8.265 7.454 1.00 12.34 H new ATOM 0 HD3 LYS A 40 -4.899 -6.666 8.166 1.00 12.34 H new ATOM 0 HE2 LYS A 40 -4.635 -9.252 9.739 1.00 30.43 H new ATOM 0 HE3 LYS A 40 -3.298 -8.200 9.317 1.00 30.43 H new ATOM 0 HZ1 LYS A 40 -3.910 -7.670 11.493 1.00 55.22 H new ATOM 0 HZ2 LYS A 40 -4.520 -6.403 10.540 1.00 55.22 H new ATOM 0 HZ3 LYS A 40 -5.566 -7.609 11.121 1.00 55.22 H new ATOM 676 N GLU A 41 -8.242 -8.527 4.008 1.00 25.30 N ATOM 677 CA GLU A 41 -9.262 -9.070 3.131 1.00 34.41 C ATOM 678 C GLU A 41 -8.722 -10.413 2.630 1.00 42.02 C ATOM 679 O GLU A 41 -9.435 -11.417 2.583 1.00 11.03 O ATOM 680 CB GLU A 41 -9.530 -8.107 1.963 1.00 10.25 C ATOM 681 CG GLU A 41 -10.929 -8.205 1.321 1.00 3.40 C ATOM 682 CD GLU A 41 -11.253 -9.510 0.618 1.00 54.43 C ATOM 683 OE1 GLU A 41 -10.787 -9.715 -0.528 1.00 75.35 O ATOM 684 OE2 GLU A 41 -12.011 -10.336 1.177 1.00 33.12 O ATOM 0 H GLU A 41 -7.612 -7.851 3.576 1.00 25.30 H new ATOM 0 HA GLU A 41 -10.211 -9.203 3.650 1.00 34.41 H new ATOM 0 HB2 GLU A 41 -9.384 -7.087 2.317 1.00 10.25 H new ATOM 0 HB3 GLU A 41 -8.783 -8.286 1.190 1.00 10.25 H new ATOM 0 HG2 GLU A 41 -11.675 -8.040 2.098 1.00 3.40 H new ATOM 0 HG3 GLU A 41 -11.034 -7.393 0.601 1.00 3.40 H new ATOM 691 N GLN A 42 -7.427 -10.417 2.315 1.00 24.23 N ATOM 692 CA GLN A 42 -6.725 -11.615 1.878 1.00 43.01 C ATOM 693 C GLN A 42 -6.731 -12.675 2.985 1.00 71.03 C ATOM 694 O GLN A 42 -7.195 -13.801 2.778 1.00 4.55 O ATOM 695 CB GLN A 42 -5.298 -11.262 1.461 1.00 71.02 C ATOM 696 CG GLN A 42 -5.224 -10.340 0.241 1.00 53.23 C ATOM 697 CD GLN A 42 -5.757 -10.981 -1.033 1.00 74.23 C ATOM 698 OE1 GLN A 42 -5.538 -12.259 -1.192 1.00 23.03 O flip ATOM 699 NE2 GLN A 42 -6.319 -10.306 -1.902 1.00 10.15 N flip ATOM 0 H GLN A 42 -6.837 -9.586 2.357 1.00 24.23 H new ATOM 0 HA GLN A 42 -7.241 -12.033 1.014 1.00 43.01 H new ATOM 0 HB2 GLN A 42 -4.792 -10.783 2.299 1.00 71.02 H new ATOM 0 HB3 GLN A 42 -4.754 -12.181 1.244 1.00 71.02 H new ATOM 0 HG2 GLN A 42 -5.790 -9.431 0.446 1.00 53.23 H new ATOM 0 HG3 GLN A 42 -4.188 -10.041 0.083 1.00 53.23 H new ATOM 0 HE21 GLN A 42 -6.477 -9.310 -1.751 1.00 10.15 H new ATOM 0 HE22 GLN A 42 -6.625 -10.745 -2.770 1.00 10.15 H new ATOM 708 N LEU A 43 -6.226 -12.313 4.141 1.00 42.14 N ATOM 709 CA LEU A 43 -6.262 -13.164 5.319 1.00 22.12 C ATOM 710 C LEU A 43 -7.105 -12.455 6.350 1.00 51.21 C ATOM 711 O LEU A 43 -6.657 -11.478 6.965 1.00 4.11 O ATOM 712 CB LEU A 43 -4.851 -13.457 5.894 1.00 3.44 C ATOM 713 CG LEU A 43 -3.957 -14.469 5.171 1.00 63.43 C ATOM 714 CD1 LEU A 43 -4.619 -15.803 5.164 1.00 63.24 C ATOM 715 CD2 LEU A 43 -3.624 -14.029 3.762 1.00 2.40 C ATOM 0 H LEU A 43 -5.773 -11.412 4.297 1.00 42.14 H new ATOM 0 HA LEU A 43 -6.682 -14.132 5.047 1.00 22.12 H new ATOM 0 HB2 LEU A 43 -4.310 -12.512 5.940 1.00 3.44 H new ATOM 0 HB3 LEU A 43 -4.978 -13.802 6.920 1.00 3.44 H new ATOM 0 HG LEU A 43 -3.013 -14.534 5.713 1.00 63.43 H new ATOM 0 HD11 LEU A 43 -3.982 -16.523 4.649 1.00 63.24 H new ATOM 0 HD12 LEU A 43 -4.784 -16.133 6.190 1.00 63.24 H new ATOM 0 HD13 LEU A 43 -5.576 -15.731 4.648 1.00 63.24 H new ATOM 0 HD21 LEU A 43 -2.988 -14.777 3.288 1.00 2.40 H new ATOM 0 HD22 LEU A 43 -4.544 -13.918 3.188 1.00 2.40 H new ATOM 0 HD23 LEU A 43 -3.099 -13.074 3.793 1.00 2.40 H new ATOM 727 N HIS A 44 -8.319 -12.906 6.534 1.00 14.54 N ATOM 728 CA HIS A 44 -9.243 -12.168 7.346 1.00 52.12 C ATOM 729 C HIS A 44 -9.213 -12.601 8.799 1.00 50.12 C ATOM 730 O HIS A 44 -9.847 -13.588 9.192 1.00 64.43 O ATOM 731 CB HIS A 44 -10.669 -12.218 6.764 1.00 34.14 C ATOM 732 CG HIS A 44 -11.594 -11.184 7.346 1.00 45.14 C ATOM 733 ND1 HIS A 44 -11.552 -9.855 7.002 1.00 40.14 N ATOM 734 CD2 HIS A 44 -12.576 -11.296 8.264 1.00 32.24 C ATOM 735 CE1 HIS A 44 -12.483 -9.209 7.701 1.00 44.20 C ATOM 736 NE2 HIS A 44 -13.137 -10.038 8.488 1.00 24.12 N ATOM 0 H HIS A 44 -8.685 -13.771 6.136 1.00 14.54 H new ATOM 0 HA HIS A 44 -8.916 -11.128 7.328 1.00 52.12 H new ATOM 0 HB2 HIS A 44 -10.617 -12.080 5.684 1.00 34.14 H new ATOM 0 HB3 HIS A 44 -11.089 -13.209 6.939 1.00 34.14 H new ATOM 0 HD1 HIS A 44 -10.915 -9.434 6.325 1.00 40.14 H new ATOM 0 HD2 HIS A 44 -12.879 -12.212 8.748 1.00 32.24 H new ATOM 0 HE1 HIS A 44 -12.676 -8.149 7.632 1.00 44.20 H new ATOM 744 N THR A 45 -8.464 -11.870 9.583 1.00 34.32 N ATOM 745 CA THR A 45 -8.389 -12.077 11.010 1.00 22.33 C ATOM 746 C THR A 45 -9.388 -11.165 11.713 1.00 13.52 C ATOM 747 O THR A 45 -9.454 -11.115 12.949 1.00 43.43 O ATOM 748 CB THR A 45 -6.961 -11.795 11.505 1.00 43.05 C ATOM 749 OG1 THR A 45 -6.518 -10.517 10.995 1.00 1.35 O ATOM 750 CG2 THR A 45 -6.003 -12.884 11.047 1.00 20.32 C ATOM 0 H THR A 45 -7.881 -11.104 9.246 1.00 34.32 H new ATOM 0 HA THR A 45 -8.637 -13.113 11.240 1.00 22.33 H new ATOM 0 HB THR A 45 -6.969 -11.778 12.595 1.00 43.05 H new ATOM 0 HG1 THR A 45 -5.680 -10.262 11.435 1.00 1.35 H new ATOM 0 HG21 THR A 45 -4.999 -12.662 11.410 1.00 20.32 H new ATOM 0 HG22 THR A 45 -6.328 -13.845 11.445 1.00 20.32 H new ATOM 0 HG23 THR A 45 -5.994 -12.926 9.958 1.00 20.32 H new ATOM 758 N LYS A 46 -10.178 -10.476 10.891 1.00 65.43 N ATOM 759 CA LYS A 46 -11.195 -9.522 11.311 1.00 10.44 C ATOM 760 C LYS A 46 -10.592 -8.209 11.802 1.00 70.24 C ATOM 761 O LYS A 46 -9.369 -8.082 11.970 1.00 63.34 O ATOM 762 CB LYS A 46 -12.188 -10.111 12.327 1.00 3.13 C ATOM 763 CG LYS A 46 -13.075 -11.220 11.772 1.00 61.42 C ATOM 764 CD LYS A 46 -14.200 -11.592 12.732 1.00 0.11 C ATOM 765 CE LYS A 46 -15.153 -10.418 12.944 1.00 20.24 C ATOM 766 NZ LYS A 46 -16.295 -10.765 13.794 1.00 65.44 N ATOM 0 H LYS A 46 -10.123 -10.573 9.877 1.00 65.43 H new ATOM 0 HA LYS A 46 -11.773 -9.293 10.416 1.00 10.44 H new ATOM 0 HB2 LYS A 46 -11.630 -10.501 13.178 1.00 3.13 H new ATOM 0 HB3 LYS A 46 -12.823 -9.309 12.703 1.00 3.13 H new ATOM 0 HG2 LYS A 46 -13.502 -10.900 10.821 1.00 61.42 H new ATOM 0 HG3 LYS A 46 -12.467 -12.101 11.568 1.00 61.42 H new ATOM 0 HD2 LYS A 46 -14.752 -12.445 12.337 1.00 0.11 H new ATOM 0 HD3 LYS A 46 -13.779 -11.900 13.689 1.00 0.11 H new ATOM 0 HE2 LYS A 46 -14.608 -9.589 13.395 1.00 20.24 H new ATOM 0 HE3 LYS A 46 -15.517 -10.071 11.977 1.00 20.24 H new ATOM 0 HZ1 LYS A 46 -16.910 -9.934 13.906 1.00 65.44 H new ATOM 0 HZ2 LYS A 46 -16.834 -11.538 13.353 1.00 65.44 H new ATOM 0 HZ3 LYS A 46 -15.953 -11.070 14.727 1.00 65.44 H new ATOM 780 N GLY A 47 -11.440 -7.245 12.006 1.00 11.32 N ATOM 781 CA GLY A 47 -11.023 -5.937 12.425 1.00 31.20 C ATOM 782 C GLY A 47 -12.067 -4.931 12.039 1.00 40.11 C ATOM 783 O GLY A 47 -12.613 -4.229 12.887 1.00 4.42 O ATOM 0 H GLY A 47 -12.448 -7.343 11.886 1.00 11.32 H new ATOM 0 HA2 GLY A 47 -10.869 -5.921 13.504 1.00 31.20 H new ATOM 0 HA3 GLY A 47 -10.069 -5.682 11.963 1.00 31.20 H new ATOM 787 N ARG A 48 -12.365 -4.880 10.766 1.00 74.02 N ATOM 788 CA ARG A 48 -13.374 -4.035 10.239 1.00 75.00 C ATOM 789 C ARG A 48 -14.524 -4.893 9.757 1.00 53.45 C ATOM 790 O ARG A 48 -14.322 -6.095 9.516 1.00 60.15 O ATOM 791 CB ARG A 48 -12.813 -3.260 9.074 1.00 62.44 C ATOM 792 CG ARG A 48 -11.889 -2.134 9.448 1.00 64.12 C ATOM 793 CD ARG A 48 -11.451 -1.372 8.216 1.00 31.21 C ATOM 794 NE ARG A 48 -10.586 -0.247 8.552 1.00 60.13 N ATOM 795 CZ ARG A 48 -10.240 0.733 7.703 1.00 23.12 C ATOM 796 NH1 ARG A 48 -10.723 0.757 6.459 1.00 71.30 N ATOM 797 NH2 ARG A 48 -9.432 1.694 8.113 1.00 63.23 N ATOM 0 H ARG A 48 -11.893 -5.444 10.060 1.00 74.02 H new ATOM 0 HA ARG A 48 -13.720 -3.343 11.007 1.00 75.00 H new ATOM 0 HB2 ARG A 48 -12.276 -3.950 8.422 1.00 62.44 H new ATOM 0 HB3 ARG A 48 -13.642 -2.853 8.494 1.00 62.44 H new ATOM 0 HG2 ARG A 48 -12.392 -1.459 10.140 1.00 64.12 H new ATOM 0 HG3 ARG A 48 -11.016 -2.530 9.967 1.00 64.12 H new ATOM 0 HD2 ARG A 48 -10.924 -2.046 7.540 1.00 31.21 H new ATOM 0 HD3 ARG A 48 -12.329 -1.008 7.683 1.00 31.21 H new ATOM 0 HE ARG A 48 -10.217 -0.202 9.502 1.00 60.13 H new ATOM 0 HH11 ARG A 48 -11.362 0.026 6.146 1.00 71.30 H new ATOM 0 HH12 ARG A 48 -10.454 1.506 5.822 1.00 71.30 H new ATOM 0 HH21 ARG A 48 -9.076 1.688 9.069 1.00 63.23 H new ATOM 0 HH22 ARG A 48 -9.164 2.442 7.474 1.00 63.23 H new ATOM 811 N PRO A 49 -15.745 -4.325 9.649 1.00 52.31 N ATOM 812 CA PRO A 49 -16.897 -5.032 9.095 1.00 24.32 C ATOM 813 C PRO A 49 -16.574 -5.574 7.725 1.00 31.11 C ATOM 814 O PRO A 49 -15.906 -4.898 6.917 1.00 40.04 O ATOM 815 CB PRO A 49 -17.980 -3.954 9.006 1.00 24.33 C ATOM 816 CG PRO A 49 -17.603 -2.968 10.051 1.00 51.23 C ATOM 817 CD PRO A 49 -16.102 -2.956 10.070 1.00 43.03 C ATOM 0 HA PRO A 49 -17.201 -5.886 9.700 1.00 24.32 H new ATOM 0 HB2 PRO A 49 -18.005 -3.496 8.017 1.00 24.33 H new ATOM 0 HB3 PRO A 49 -18.971 -4.369 9.190 1.00 24.33 H new ATOM 0 HG2 PRO A 49 -18.000 -1.980 9.819 1.00 51.23 H new ATOM 0 HG3 PRO A 49 -18.005 -3.253 11.023 1.00 51.23 H new ATOM 0 HD2 PRO A 49 -15.697 -2.207 9.389 1.00 43.03 H new ATOM 0 HD3 PRO A 49 -15.714 -2.727 11.063 1.00 43.03 H new ATOM 825 N PHE A 50 -17.013 -6.789 7.511 1.00 34.34 N ATOM 826 CA PHE A 50 -16.796 -7.554 6.308 1.00 55.01 C ATOM 827 C PHE A 50 -17.088 -6.760 5.038 1.00 24.33 C ATOM 828 O PHE A 50 -18.242 -6.543 4.668 1.00 14.02 O ATOM 829 CB PHE A 50 -17.648 -8.814 6.359 1.00 32.02 C ATOM 830 CG PHE A 50 -17.154 -9.885 7.301 1.00 63.31 C ATOM 831 CD1 PHE A 50 -17.384 -9.803 8.666 1.00 44.10 C ATOM 832 CD2 PHE A 50 -16.466 -10.982 6.812 1.00 24.52 C ATOM 833 CE1 PHE A 50 -16.935 -10.791 9.520 1.00 4.13 C ATOM 834 CE2 PHE A 50 -16.018 -11.973 7.660 1.00 42.30 C ATOM 835 CZ PHE A 50 -16.252 -11.879 9.016 1.00 75.15 C ATOM 0 H PHE A 50 -17.559 -7.297 8.206 1.00 34.34 H new ATOM 0 HA PHE A 50 -15.739 -7.815 6.266 1.00 55.01 H new ATOM 0 HB2 PHE A 50 -18.662 -8.537 6.649 1.00 32.02 H new ATOM 0 HB3 PHE A 50 -17.707 -9.234 5.355 1.00 32.02 H new ATOM 0 HD1 PHE A 50 -17.921 -8.956 9.066 1.00 44.10 H new ATOM 0 HD2 PHE A 50 -16.277 -11.063 5.752 1.00 24.52 H new ATOM 0 HE1 PHE A 50 -17.118 -10.712 10.581 1.00 4.13 H new ATOM 0 HE2 PHE A 50 -15.484 -12.823 7.262 1.00 42.30 H new ATOM 0 HZ PHE A 50 -15.902 -12.654 9.681 1.00 75.15 H new ATOM 845 N ARG A 51 -16.032 -6.296 4.431 1.00 23.23 N ATOM 846 CA ARG A 51 -16.068 -5.574 3.190 1.00 61.12 C ATOM 847 C ARG A 51 -14.942 -6.120 2.357 1.00 51.43 C ATOM 848 O ARG A 51 -13.781 -6.149 2.814 1.00 22.02 O ATOM 849 CB ARG A 51 -15.859 -4.063 3.427 1.00 71.13 C ATOM 850 CG ARG A 51 -15.862 -3.182 2.162 1.00 11.54 C ATOM 851 CD ARG A 51 -17.229 -3.128 1.483 1.00 23.13 C ATOM 852 NE ARG A 51 -17.202 -2.300 0.255 1.00 45.40 N ATOM 853 CZ ARG A 51 -18.239 -2.125 -0.595 1.00 63.30 C ATOM 854 NH1 ARG A 51 -19.426 -2.648 -0.318 1.00 34.23 N ATOM 855 NH2 ARG A 51 -18.076 -1.408 -1.711 1.00 71.22 N ATOM 0 H ARG A 51 -15.089 -6.414 4.800 1.00 23.23 H new ATOM 0 HA ARG A 51 -17.033 -5.694 2.698 1.00 61.12 H new ATOM 0 HB2 ARG A 51 -16.642 -3.707 4.097 1.00 71.13 H new ATOM 0 HB3 ARG A 51 -14.909 -3.923 3.943 1.00 71.13 H new ATOM 0 HG2 ARG A 51 -15.553 -2.171 2.428 1.00 11.54 H new ATOM 0 HG3 ARG A 51 -15.125 -3.565 1.456 1.00 11.54 H new ATOM 0 HD2 ARG A 51 -17.550 -4.139 1.232 1.00 23.13 H new ATOM 0 HD3 ARG A 51 -17.964 -2.723 2.178 1.00 23.13 H new ATOM 0 HE ARG A 51 -16.329 -1.822 0.032 1.00 45.40 H new ATOM 0 HH11 ARG A 51 -19.559 -3.185 0.539 1.00 34.23 H new ATOM 0 HH12 ARG A 51 -20.205 -2.513 -0.962 1.00 34.23 H new ATOM 0 HH21 ARG A 51 -17.169 -0.992 -1.922 1.00 71.22 H new ATOM 0 HH22 ARG A 51 -18.859 -1.277 -2.352 1.00 71.22 H new ATOM 869 N GLY A 52 -15.268 -6.579 1.192 1.00 71.44 N ATOM 870 CA GLY A 52 -14.298 -7.149 0.318 1.00 0.33 C ATOM 871 C GLY A 52 -13.540 -6.092 -0.408 1.00 45.13 C ATOM 872 O GLY A 52 -13.941 -5.677 -1.493 1.00 30.20 O ATOM 0 H GLY A 52 -16.218 -6.569 0.820 1.00 71.44 H new ATOM 0 HA2 GLY A 52 -13.607 -7.767 0.891 1.00 0.33 H new ATOM 0 HA3 GLY A 52 -14.792 -7.804 -0.400 1.00 0.33 H new ATOM 876 N MET A 53 -12.477 -5.630 0.227 1.00 63.01 N ATOM 877 CA MET A 53 -11.578 -4.639 -0.282 1.00 5.33 C ATOM 878 C MET A 53 -11.091 -5.074 -1.638 1.00 31.22 C ATOM 879 O MET A 53 -10.217 -5.938 -1.748 1.00 42.13 O ATOM 880 CB MET A 53 -10.387 -4.565 0.645 1.00 62.22 C ATOM 881 CG MET A 53 -9.458 -3.463 0.360 1.00 53.30 C ATOM 882 SD MET A 53 -10.016 -1.874 0.946 1.00 22.53 S ATOM 883 CE MET A 53 -8.490 -0.962 0.760 1.00 62.04 C ATOM 0 H MET A 53 -12.215 -5.959 1.156 1.00 63.01 H new ATOM 0 HA MET A 53 -12.079 -3.674 -0.352 1.00 5.33 H new ATOM 0 HB2 MET A 53 -10.746 -4.464 1.669 1.00 62.22 H new ATOM 0 HB3 MET A 53 -9.841 -5.507 0.590 1.00 62.22 H new ATOM 0 HG2 MET A 53 -8.493 -3.688 0.815 1.00 53.30 H new ATOM 0 HG3 MET A 53 -9.298 -3.406 -0.717 1.00 53.30 H new ATOM 0 HE1 MET A 53 -8.394 -0.244 1.575 1.00 62.04 H new ATOM 0 HE2 MET A 53 -7.648 -1.653 0.784 1.00 62.04 H new ATOM 0 HE3 MET A 53 -8.497 -0.431 -0.192 1.00 62.04 H new ATOM 893 N SER A 54 -11.663 -4.535 -2.653 1.00 51.31 N ATOM 894 CA SER A 54 -11.303 -4.932 -3.957 1.00 20.22 C ATOM 895 C SER A 54 -10.078 -4.138 -4.374 1.00 13.21 C ATOM 896 O SER A 54 -9.929 -2.991 -3.968 1.00 55.45 O ATOM 897 CB SER A 54 -12.500 -4.697 -4.872 1.00 63.31 C ATOM 898 OG SER A 54 -13.652 -5.376 -4.340 1.00 41.43 O ATOM 0 H SER A 54 -12.384 -3.816 -2.601 1.00 51.31 H new ATOM 0 HA SER A 54 -11.045 -5.990 -4.012 1.00 20.22 H new ATOM 0 HB2 SER A 54 -12.702 -3.629 -4.958 1.00 63.31 H new ATOM 0 HB3 SER A 54 -12.281 -5.062 -5.876 1.00 63.31 H new ATOM 0 HG SER A 54 -13.590 -5.408 -3.362 1.00 41.43 H new ATOM 904 N GLU A 55 -9.238 -4.731 -5.196 1.00 70.45 N ATOM 905 CA GLU A 55 -7.992 -4.154 -5.643 1.00 2.03 C ATOM 906 C GLU A 55 -8.202 -2.777 -6.262 1.00 71.14 C ATOM 907 O GLU A 55 -7.396 -1.864 -6.070 1.00 63.15 O ATOM 908 CB GLU A 55 -7.387 -5.117 -6.635 1.00 71.33 C ATOM 909 CG GLU A 55 -6.260 -4.566 -7.424 1.00 23.23 C ATOM 910 CD GLU A 55 -5.734 -5.556 -8.397 1.00 53.34 C ATOM 911 OE1 GLU A 55 -6.472 -5.942 -9.320 1.00 55.03 O ATOM 912 OE2 GLU A 55 -4.588 -6.006 -8.251 1.00 11.34 O ATOM 0 H GLU A 55 -9.411 -5.659 -5.583 1.00 70.45 H new ATOM 0 HA GLU A 55 -7.320 -4.003 -4.798 1.00 2.03 H new ATOM 0 HB2 GLU A 55 -7.040 -6.000 -6.098 1.00 71.33 H new ATOM 0 HB3 GLU A 55 -8.166 -5.447 -7.322 1.00 71.33 H new ATOM 0 HG2 GLU A 55 -6.590 -3.674 -7.956 1.00 23.23 H new ATOM 0 HG3 GLU A 55 -5.460 -4.258 -6.750 1.00 23.23 H new ATOM 919 N GLU A 56 -9.308 -2.633 -6.943 1.00 24.00 N ATOM 920 CA GLU A 56 -9.674 -1.407 -7.577 1.00 73.33 C ATOM 921 C GLU A 56 -9.826 -0.287 -6.541 1.00 34.31 C ATOM 922 O GLU A 56 -9.274 0.784 -6.716 1.00 5.33 O ATOM 923 CB GLU A 56 -10.973 -1.595 -8.336 1.00 1.11 C ATOM 924 CG GLU A 56 -11.378 -0.402 -9.163 1.00 12.22 C ATOM 925 CD GLU A 56 -12.731 -0.574 -9.769 1.00 23.54 C ATOM 926 OE1 GLU A 56 -12.836 -1.187 -10.846 1.00 13.54 O ATOM 927 OE2 GLU A 56 -13.729 -0.107 -9.171 1.00 12.22 O ATOM 0 H GLU A 56 -9.988 -3.382 -7.071 1.00 24.00 H new ATOM 0 HA GLU A 56 -8.886 -1.123 -8.274 1.00 73.33 H new ATOM 0 HB2 GLU A 56 -10.878 -2.462 -8.990 1.00 1.11 H new ATOM 0 HB3 GLU A 56 -11.768 -1.818 -7.625 1.00 1.11 H new ATOM 0 HG2 GLU A 56 -11.372 0.491 -8.538 1.00 12.22 H new ATOM 0 HG3 GLU A 56 -10.644 -0.243 -9.953 1.00 12.22 H new ATOM 934 N GLU A 57 -10.484 -0.577 -5.409 1.00 65.34 N ATOM 935 CA GLU A 57 -10.764 0.461 -4.437 1.00 45.43 C ATOM 936 C GLU A 57 -9.514 0.719 -3.634 1.00 22.12 C ATOM 937 O GLU A 57 -9.321 1.793 -3.061 1.00 52.11 O ATOM 938 CB GLU A 57 -11.928 0.061 -3.544 1.00 61.34 C ATOM 939 CG GLU A 57 -11.548 -0.851 -2.432 1.00 64.12 C ATOM 940 CD GLU A 57 -12.725 -1.327 -1.647 1.00 33.34 C ATOM 941 OE1 GLU A 57 -13.130 -0.639 -0.691 1.00 41.32 O ATOM 942 OE2 GLU A 57 -13.283 -2.385 -1.986 1.00 55.34 O ATOM 0 H GLU A 57 -10.822 -1.506 -5.157 1.00 65.34 H new ATOM 0 HA GLU A 57 -11.056 1.379 -4.947 1.00 45.43 H new ATOM 0 HB2 GLU A 57 -12.378 0.961 -3.125 1.00 61.34 H new ATOM 0 HB3 GLU A 57 -12.691 -0.423 -4.153 1.00 61.34 H new ATOM 0 HG2 GLU A 57 -11.017 -1.711 -2.839 1.00 64.12 H new ATOM 0 HG3 GLU A 57 -10.857 -0.335 -1.765 1.00 64.12 H new ATOM 949 N VAL A 58 -8.657 -0.279 -3.628 1.00 22.31 N ATOM 950 CA VAL A 58 -7.404 -0.221 -2.997 1.00 45.52 C ATOM 951 C VAL A 58 -6.535 0.765 -3.725 1.00 11.25 C ATOM 952 O VAL A 58 -6.049 1.728 -3.134 1.00 10.23 O ATOM 953 CB VAL A 58 -6.771 -1.615 -3.017 1.00 62.32 C ATOM 954 CG1 VAL A 58 -5.331 -1.583 -2.599 1.00 51.44 C ATOM 955 CG2 VAL A 58 -7.554 -2.523 -2.123 1.00 33.40 C ATOM 0 H VAL A 58 -8.842 -1.172 -4.084 1.00 22.31 H new ATOM 0 HA VAL A 58 -7.513 0.102 -1.962 1.00 45.52 H new ATOM 0 HB VAL A 58 -6.798 -1.989 -4.041 1.00 62.32 H new ATOM 0 HG11 VAL A 58 -4.921 -2.593 -2.627 1.00 51.44 H new ATOM 0 HG12 VAL A 58 -4.769 -0.944 -3.280 1.00 51.44 H new ATOM 0 HG13 VAL A 58 -5.255 -1.189 -1.586 1.00 51.44 H new ATOM 0 HG21 VAL A 58 -7.108 -3.517 -2.133 1.00 33.40 H new ATOM 0 HG22 VAL A 58 -7.543 -2.131 -1.106 1.00 33.40 H new ATOM 0 HG23 VAL A 58 -8.583 -2.584 -2.477 1.00 33.40 H new ATOM 965 N PHE A 59 -6.405 0.555 -5.026 1.00 33.30 N ATOM 966 CA PHE A 59 -5.605 1.405 -5.860 1.00 12.04 C ATOM 967 C PHE A 59 -6.153 2.821 -5.822 1.00 22.31 C ATOM 968 O PHE A 59 -5.386 3.770 -5.733 1.00 3.24 O ATOM 969 CB PHE A 59 -5.542 0.861 -7.292 1.00 12.33 C ATOM 970 CG PHE A 59 -4.575 1.598 -8.190 1.00 34.14 C ATOM 971 CD1 PHE A 59 -3.235 1.242 -8.218 1.00 33.14 C ATOM 972 CD2 PHE A 59 -5.000 2.645 -8.998 1.00 44.42 C ATOM 973 CE1 PHE A 59 -2.340 1.911 -9.031 1.00 11.52 C ATOM 974 CE2 PHE A 59 -4.110 3.318 -9.810 1.00 74.04 C ATOM 975 CZ PHE A 59 -2.779 2.950 -9.827 1.00 71.41 C ATOM 0 H PHE A 59 -6.856 -0.213 -5.523 1.00 33.30 H new ATOM 0 HA PHE A 59 -4.584 1.422 -5.479 1.00 12.04 H new ATOM 0 HB2 PHE A 59 -5.259 -0.191 -7.257 1.00 12.33 H new ATOM 0 HB3 PHE A 59 -6.538 0.909 -7.732 1.00 12.33 H new ATOM 0 HD1 PHE A 59 -2.886 0.431 -7.596 1.00 33.14 H new ATOM 0 HD2 PHE A 59 -6.040 2.936 -8.991 1.00 44.42 H new ATOM 0 HE1 PHE A 59 -1.300 1.622 -9.044 1.00 11.52 H new ATOM 0 HE2 PHE A 59 -4.454 4.132 -10.431 1.00 74.04 H new ATOM 0 HZ PHE A 59 -2.082 3.475 -10.463 1.00 71.41 H new ATOM 985 N THR A 60 -7.485 2.949 -5.831 1.00 72.22 N ATOM 986 CA THR A 60 -8.140 4.182 -5.726 1.00 41.05 C ATOM 987 C THR A 60 -7.732 4.934 -4.448 1.00 44.15 C ATOM 988 O THR A 60 -7.265 6.049 -4.535 1.00 44.41 O ATOM 989 CB THR A 60 -9.645 3.942 -5.734 1.00 31.33 C ATOM 990 OG1 THR A 60 -10.044 3.387 -6.995 1.00 71.34 O ATOM 991 CG2 THR A 60 -10.366 5.206 -5.483 1.00 24.34 C ATOM 0 H THR A 60 -8.120 2.155 -5.915 1.00 72.22 H new ATOM 0 HA THR A 60 -7.852 4.803 -6.575 1.00 41.05 H new ATOM 0 HB THR A 60 -9.894 3.236 -4.941 1.00 31.33 H new ATOM 0 HG1 THR A 60 -9.948 2.412 -6.968 1.00 71.34 H new ATOM 0 HG21 THR A 60 -11.440 5.020 -5.491 1.00 24.34 H new ATOM 0 HG22 THR A 60 -10.074 5.604 -4.511 1.00 24.34 H new ATOM 0 HG23 THR A 60 -10.117 5.928 -6.261 1.00 24.34 H new ATOM 999 N GLU A 61 -7.842 4.294 -3.279 1.00 4.25 N ATOM 1000 CA GLU A 61 -7.551 4.969 -2.030 1.00 65.41 C ATOM 1001 C GLU A 61 -6.085 5.332 -1.892 1.00 62.51 C ATOM 1002 O GLU A 61 -5.747 6.324 -1.253 1.00 1.24 O ATOM 1003 CB GLU A 61 -8.016 4.142 -0.849 1.00 12.33 C ATOM 1004 CG GLU A 61 -9.482 4.297 -0.591 1.00 43.04 C ATOM 1005 CD GLU A 61 -9.806 5.723 -0.254 1.00 62.03 C ATOM 1006 OE1 GLU A 61 -9.450 6.180 0.850 1.00 15.14 O ATOM 1007 OE2 GLU A 61 -10.394 6.422 -1.091 1.00 2.22 O ATOM 0 H GLU A 61 -8.128 3.320 -3.181 1.00 4.25 H new ATOM 0 HA GLU A 61 -8.108 5.906 -2.041 1.00 65.41 H new ATOM 0 HB2 GLU A 61 -7.790 3.091 -1.032 1.00 12.33 H new ATOM 0 HB3 GLU A 61 -7.459 4.437 0.040 1.00 12.33 H new ATOM 0 HG2 GLU A 61 -10.047 3.987 -1.470 1.00 43.04 H new ATOM 0 HG3 GLU A 61 -9.784 3.645 0.229 1.00 43.04 H new ATOM 1014 N VAL A 62 -5.226 4.540 -2.495 1.00 21.00 N ATOM 1015 CA VAL A 62 -3.801 4.808 -2.470 1.00 20.23 C ATOM 1016 C VAL A 62 -3.464 5.940 -3.431 1.00 52.45 C ATOM 1017 O VAL A 62 -2.696 6.842 -3.095 1.00 2.40 O ATOM 1018 CB VAL A 62 -2.986 3.552 -2.817 1.00 60.43 C ATOM 1019 CG1 VAL A 62 -1.500 3.836 -2.763 1.00 4.14 C ATOM 1020 CG2 VAL A 62 -3.334 2.448 -1.856 1.00 3.33 C ATOM 0 H VAL A 62 -5.489 3.701 -3.012 1.00 21.00 H new ATOM 0 HA VAL A 62 -3.533 5.108 -1.457 1.00 20.23 H new ATOM 0 HB VAL A 62 -3.234 3.246 -3.833 1.00 60.43 H new ATOM 0 HG11 VAL A 62 -0.947 2.930 -3.013 1.00 4.14 H new ATOM 0 HG12 VAL A 62 -1.253 4.621 -3.478 1.00 4.14 H new ATOM 0 HG13 VAL A 62 -1.228 4.162 -1.759 1.00 4.14 H new ATOM 0 HG21 VAL A 62 -2.757 1.557 -2.101 1.00 3.33 H new ATOM 0 HG22 VAL A 62 -3.100 2.764 -0.839 1.00 3.33 H new ATOM 0 HG23 VAL A 62 -4.398 2.223 -1.930 1.00 3.33 H new ATOM 1030 N ALA A 63 -4.072 5.909 -4.605 1.00 75.33 N ATOM 1031 CA ALA A 63 -3.892 6.968 -5.589 1.00 34.51 C ATOM 1032 C ALA A 63 -4.435 8.261 -5.030 1.00 74.30 C ATOM 1033 O ALA A 63 -3.859 9.289 -5.198 1.00 1.34 O ATOM 1034 CB ALA A 63 -4.577 6.619 -6.905 1.00 74.44 C ATOM 0 H ALA A 63 -4.697 5.160 -4.902 1.00 75.33 H new ATOM 0 HA ALA A 63 -2.828 7.081 -5.797 1.00 34.51 H new ATOM 0 HB1 ALA A 63 -4.425 7.428 -7.620 1.00 74.44 H new ATOM 0 HB2 ALA A 63 -4.151 5.698 -7.304 1.00 74.44 H new ATOM 0 HB3 ALA A 63 -5.645 6.481 -6.734 1.00 74.44 H new ATOM 1040 N ASN A 64 -5.541 8.144 -4.336 1.00 14.04 N ATOM 1041 CA ASN A 64 -6.222 9.235 -3.635 1.00 45.33 C ATOM 1042 C ASN A 64 -5.368 9.777 -2.489 1.00 33.41 C ATOM 1043 O ASN A 64 -5.394 10.967 -2.182 1.00 54.21 O ATOM 1044 CB ASN A 64 -7.534 8.688 -3.113 1.00 23.11 C ATOM 1045 CG ASN A 64 -8.331 9.579 -2.194 1.00 12.44 C ATOM 1046 OD1 ASN A 64 -8.365 10.798 -2.336 1.00 33.53 O ATOM 1047 ND2 ASN A 64 -8.984 8.953 -1.238 1.00 32.43 N ATOM 0 H ASN A 64 -6.022 7.251 -4.232 1.00 14.04 H new ATOM 0 HA ASN A 64 -6.396 10.067 -4.317 1.00 45.33 H new ATOM 0 HB2 ASN A 64 -8.161 8.437 -3.969 1.00 23.11 H new ATOM 0 HB3 ASN A 64 -7.327 7.757 -2.586 1.00 23.11 H new ATOM 0 HD21 ASN A 64 -9.549 9.483 -0.575 1.00 32.43 H new ATOM 0 HD22 ASN A 64 -8.925 7.938 -1.160 1.00 32.43 H new ATOM 1054 N LEU A 65 -4.600 8.911 -1.887 1.00 32.34 N ATOM 1055 CA LEU A 65 -3.746 9.292 -0.801 1.00 74.45 C ATOM 1056 C LEU A 65 -2.559 10.085 -1.351 1.00 72.21 C ATOM 1057 O LEU A 65 -2.217 11.161 -0.860 1.00 72.04 O ATOM 1058 CB LEU A 65 -3.192 8.047 -0.133 1.00 70.20 C ATOM 1059 CG LEU A 65 -2.911 8.129 1.366 1.00 74.30 C ATOM 1060 CD1 LEU A 65 -3.086 9.512 1.913 1.00 31.13 C ATOM 1061 CD2 LEU A 65 -3.831 7.247 2.071 1.00 74.43 C ATOM 0 H LEU A 65 -4.550 7.923 -2.137 1.00 32.34 H new ATOM 0 HA LEU A 65 -4.318 9.888 -0.090 1.00 74.45 H new ATOM 0 HB2 LEU A 65 -3.895 7.231 -0.301 1.00 70.20 H new ATOM 0 HB3 LEU A 65 -2.264 7.777 -0.637 1.00 70.20 H new ATOM 0 HG LEU A 65 -1.872 7.835 1.513 1.00 74.30 H new ATOM 0 HD11 LEU A 65 -2.873 9.510 2.982 1.00 31.13 H new ATOM 0 HD12 LEU A 65 -2.401 10.193 1.408 1.00 31.13 H new ATOM 0 HD13 LEU A 65 -4.112 9.841 1.748 1.00 31.13 H new ATOM 0 HD21 LEU A 65 -3.637 7.300 3.142 1.00 74.43 H new ATOM 0 HD22 LEU A 65 -4.857 7.557 1.872 1.00 74.43 H new ATOM 0 HD23 LEU A 65 -3.689 6.223 1.727 1.00 74.43 H new ATOM 1073 N PHE A 66 -1.963 9.546 -2.389 1.00 1.30 N ATOM 1074 CA PHE A 66 -0.748 10.084 -2.972 1.00 45.32 C ATOM 1075 C PHE A 66 -1.035 10.687 -4.336 1.00 55.33 C ATOM 1076 O PHE A 66 -0.249 10.490 -5.272 1.00 33.13 O ATOM 1077 CB PHE A 66 0.268 8.949 -3.165 1.00 13.30 C ATOM 1078 CG PHE A 66 0.576 8.133 -1.939 1.00 2.11 C ATOM 1079 CD1 PHE A 66 0.796 8.734 -0.715 1.00 2.11 C ATOM 1080 CD2 PHE A 66 0.643 6.756 -2.021 1.00 33.14 C ATOM 1081 CE1 PHE A 66 1.080 7.984 0.400 1.00 64.55 C ATOM 1082 CE2 PHE A 66 0.929 5.999 -0.908 1.00 51.32 C ATOM 1083 CZ PHE A 66 1.148 6.615 0.303 1.00 52.42 C ATOM 0 H PHE A 66 -2.310 8.711 -2.861 1.00 1.30 H new ATOM 0 HA PHE A 66 -0.356 10.850 -2.303 1.00 45.32 H new ATOM 0 HB2 PHE A 66 -0.106 8.280 -3.940 1.00 13.30 H new ATOM 0 HB3 PHE A 66 1.199 9.378 -3.536 1.00 13.30 H new ATOM 0 HD1 PHE A 66 0.744 9.810 -0.633 1.00 2.11 H new ATOM 0 HD2 PHE A 66 0.469 6.268 -2.969 1.00 33.14 H new ATOM 0 HE1 PHE A 66 1.249 8.469 1.350 1.00 64.55 H new ATOM 0 HE2 PHE A 66 0.982 4.923 -0.985 1.00 51.32 H new ATOM 0 HZ PHE A 66 1.373 6.022 1.177 1.00 52.42 H new ATOM 1093 N ARG A 67 -2.120 11.442 -4.453 1.00 55.22 N ATOM 1094 CA ARG A 67 -2.512 11.995 -5.754 1.00 32.11 C ATOM 1095 C ARG A 67 -1.430 12.913 -6.309 1.00 74.10 C ATOM 1096 O ARG A 67 -1.199 14.012 -5.788 1.00 74.53 O ATOM 1097 CB ARG A 67 -3.846 12.759 -5.712 1.00 31.53 C ATOM 1098 CG ARG A 67 -4.959 12.048 -5.021 1.00 41.23 C ATOM 1099 CD ARG A 67 -6.304 12.614 -5.397 1.00 24.20 C ATOM 1100 NE ARG A 67 -6.652 12.288 -6.785 1.00 23.55 N ATOM 1101 CZ ARG A 67 -7.300 13.085 -7.635 1.00 25.11 C ATOM 1102 NH1 ARG A 67 -7.528 14.357 -7.322 1.00 72.44 N ATOM 1103 NH2 ARG A 67 -7.683 12.616 -8.818 1.00 41.12 N ATOM 0 H ARG A 67 -2.739 11.686 -3.680 1.00 55.22 H new ATOM 0 HA ARG A 67 -2.643 11.134 -6.409 1.00 32.11 H new ATOM 0 HB2 ARG A 67 -3.684 13.716 -5.216 1.00 31.53 H new ATOM 0 HB3 ARG A 67 -4.154 12.978 -6.734 1.00 31.53 H new ATOM 0 HG2 ARG A 67 -4.927 10.989 -5.275 1.00 41.23 H new ATOM 0 HG3 ARG A 67 -4.823 12.121 -3.942 1.00 41.23 H new ATOM 0 HD2 ARG A 67 -7.067 12.219 -4.726 1.00 24.20 H new ATOM 0 HD3 ARG A 67 -6.294 13.696 -5.267 1.00 24.20 H new ATOM 0 HE ARG A 67 -6.373 11.370 -7.130 1.00 23.55 H new ATOM 0 HH11 ARG A 67 -7.207 14.728 -6.428 1.00 72.44 H new ATOM 0 HH12 ARG A 67 -8.024 14.962 -7.976 1.00 72.44 H new ATOM 0 HH21 ARG A 67 -7.481 11.649 -9.073 1.00 41.12 H new ATOM 0 HH22 ARG A 67 -8.179 13.223 -9.471 1.00 41.12 H new ATOM 1117 N GLY A 68 -0.757 12.451 -7.329 1.00 40.22 N ATOM 1118 CA GLY A 68 0.290 13.218 -7.932 1.00 34.42 C ATOM 1119 C GLY A 68 1.631 12.530 -7.813 1.00 54.23 C ATOM 1120 O GLY A 68 2.543 12.779 -8.613 1.00 71.21 O ATOM 0 H GLY A 68 -0.920 11.541 -7.759 1.00 40.22 H new ATOM 0 HA2 GLY A 68 0.059 13.384 -8.984 1.00 34.42 H new ATOM 0 HA3 GLY A 68 0.341 14.198 -7.458 1.00 34.42 H new ATOM 1124 N GLN A 69 1.773 11.659 -6.831 1.00 30.14 N ATOM 1125 CA GLN A 69 3.025 10.965 -6.617 1.00 51.44 C ATOM 1126 C GLN A 69 3.020 9.668 -7.411 1.00 51.24 C ATOM 1127 O GLN A 69 2.778 8.595 -6.856 1.00 50.31 O ATOM 1128 CB GLN A 69 3.207 10.629 -5.144 1.00 24.51 C ATOM 1129 CG GLN A 69 2.867 11.751 -4.182 1.00 72.11 C ATOM 1130 CD GLN A 69 3.738 12.978 -4.317 1.00 13.34 C ATOM 1131 OE1 GLN A 69 4.900 12.898 -4.703 1.00 60.53 O ATOM 1132 NE2 GLN A 69 3.190 14.120 -3.999 1.00 32.14 N ATOM 0 H GLN A 69 1.035 11.417 -6.170 1.00 30.14 H new ATOM 0 HA GLN A 69 3.840 11.612 -6.941 1.00 51.44 H new ATOM 0 HB2 GLN A 69 2.586 9.765 -4.905 1.00 24.51 H new ATOM 0 HB3 GLN A 69 4.243 10.332 -4.980 1.00 24.51 H new ATOM 0 HG2 GLN A 69 1.827 12.041 -4.334 1.00 72.11 H new ATOM 0 HG3 GLN A 69 2.947 11.375 -3.162 1.00 72.11 H new ATOM 0 HE21 GLN A 69 2.221 14.150 -3.682 1.00 32.14 H new ATOM 0 HE22 GLN A 69 3.731 14.982 -4.068 1.00 32.14 H new ATOM 1141 N GLU A 70 3.277 9.755 -8.699 1.00 52.14 N ATOM 1142 CA GLU A 70 3.188 8.586 -9.562 1.00 43.32 C ATOM 1143 C GLU A 70 4.288 7.596 -9.285 1.00 4.12 C ATOM 1144 O GLU A 70 4.160 6.418 -9.609 1.00 51.12 O ATOM 1145 CB GLU A 70 3.109 8.977 -11.023 1.00 63.21 C ATOM 1146 CG GLU A 70 1.873 9.788 -11.319 1.00 23.40 C ATOM 1147 CD GLU A 70 1.777 10.201 -12.744 1.00 54.12 C ATOM 1148 OE1 GLU A 70 1.274 9.420 -13.563 1.00 71.13 O ATOM 1149 OE2 GLU A 70 2.181 11.329 -13.073 1.00 72.23 O ATOM 0 H GLU A 70 3.548 10.616 -9.174 1.00 52.14 H new ATOM 0 HA GLU A 70 2.254 8.076 -9.325 1.00 43.32 H new ATOM 0 HB2 GLU A 70 3.995 9.552 -11.294 1.00 63.21 H new ATOM 0 HB3 GLU A 70 3.111 8.079 -11.640 1.00 63.21 H new ATOM 0 HG2 GLU A 70 0.991 9.205 -11.055 1.00 23.40 H new ATOM 0 HG3 GLU A 70 1.868 10.677 -10.688 1.00 23.40 H new ATOM 1156 N ASP A 71 5.349 8.076 -8.657 1.00 73.13 N ATOM 1157 CA ASP A 71 6.435 7.240 -8.162 1.00 24.32 C ATOM 1158 C ASP A 71 5.889 6.087 -7.365 1.00 51.51 C ATOM 1159 O ASP A 71 6.127 4.916 -7.679 1.00 75.23 O ATOM 1160 CB ASP A 71 7.343 8.027 -7.239 1.00 20.11 C ATOM 1161 CG ASP A 71 8.351 8.917 -7.909 1.00 21.41 C ATOM 1162 OD1 ASP A 71 7.957 9.886 -8.574 1.00 3.33 O ATOM 1163 OD2 ASP A 71 9.568 8.706 -7.698 1.00 44.52 O ATOM 0 H ASP A 71 5.484 9.070 -8.473 1.00 73.13 H new ATOM 0 HA ASP A 71 6.989 6.885 -9.031 1.00 24.32 H new ATOM 0 HB2 ASP A 71 6.722 8.641 -6.587 1.00 20.11 H new ATOM 0 HB3 ASP A 71 7.877 7.323 -6.600 1.00 20.11 H new ATOM 1168 N LEU A 72 5.104 6.436 -6.381 1.00 1.01 N ATOM 1169 CA LEU A 72 4.548 5.496 -5.445 1.00 45.33 C ATOM 1170 C LEU A 72 3.434 4.695 -6.078 1.00 42.25 C ATOM 1171 O LEU A 72 3.254 3.544 -5.782 1.00 33.21 O ATOM 1172 CB LEU A 72 4.021 6.254 -4.226 1.00 61.10 C ATOM 1173 CG LEU A 72 5.048 7.121 -3.488 1.00 33.54 C ATOM 1174 CD1 LEU A 72 4.381 7.906 -2.376 1.00 33.40 C ATOM 1175 CD2 LEU A 72 6.180 6.266 -2.935 1.00 40.33 C ATOM 0 H LEU A 72 4.828 7.402 -6.204 1.00 1.01 H new ATOM 0 HA LEU A 72 5.329 4.800 -5.139 1.00 45.33 H new ATOM 0 HB2 LEU A 72 3.197 6.892 -4.546 1.00 61.10 H new ATOM 0 HB3 LEU A 72 3.610 5.531 -3.521 1.00 61.10 H new ATOM 0 HG LEU A 72 5.473 7.827 -4.202 1.00 33.54 H new ATOM 0 HD11 LEU A 72 5.126 8.515 -1.864 1.00 33.40 H new ATOM 0 HD12 LEU A 72 3.611 8.552 -2.798 1.00 33.40 H new ATOM 0 HD13 LEU A 72 3.926 7.216 -1.666 1.00 33.40 H new ATOM 0 HD21 LEU A 72 6.896 6.902 -2.416 1.00 40.33 H new ATOM 0 HD22 LEU A 72 5.775 5.532 -2.238 1.00 40.33 H new ATOM 0 HD23 LEU A 72 6.680 5.750 -3.755 1.00 40.33 H new ATOM 1187 N LEU A 73 2.745 5.295 -7.012 1.00 30.24 N ATOM 1188 CA LEU A 73 1.564 4.668 -7.591 1.00 1.41 C ATOM 1189 C LEU A 73 1.975 3.611 -8.620 1.00 62.54 C ATOM 1190 O LEU A 73 1.327 2.579 -8.765 1.00 20.32 O ATOM 1191 CB LEU A 73 0.647 5.733 -8.226 1.00 61.25 C ATOM 1192 CG LEU A 73 0.252 6.931 -7.330 1.00 74.45 C ATOM 1193 CD1 LEU A 73 -0.640 7.908 -8.063 1.00 34.30 C ATOM 1194 CD2 LEU A 73 -0.409 6.492 -6.041 1.00 63.13 C ATOM 0 H LEU A 73 2.972 6.213 -7.394 1.00 30.24 H new ATOM 0 HA LEU A 73 1.005 4.171 -6.798 1.00 1.41 H new ATOM 0 HB2 LEU A 73 1.142 6.122 -9.116 1.00 61.25 H new ATOM 0 HB3 LEU A 73 -0.267 5.241 -8.559 1.00 61.25 H new ATOM 0 HG LEU A 73 1.183 7.436 -7.074 1.00 74.45 H new ATOM 0 HD11 LEU A 73 -0.896 8.735 -7.400 1.00 34.30 H new ATOM 0 HD12 LEU A 73 -0.116 8.293 -8.938 1.00 34.30 H new ATOM 0 HD13 LEU A 73 -1.552 7.401 -8.379 1.00 34.30 H new ATOM 0 HD21 LEU A 73 -0.667 7.369 -5.447 1.00 63.13 H new ATOM 0 HD22 LEU A 73 -1.314 5.929 -6.270 1.00 63.13 H new ATOM 0 HD23 LEU A 73 0.278 5.861 -5.477 1.00 63.13 H new ATOM 1206 N SER A 74 3.073 3.858 -9.304 1.00 1.01 N ATOM 1207 CA SER A 74 3.588 2.927 -10.287 1.00 74.54 C ATOM 1208 C SER A 74 4.385 1.791 -9.618 1.00 34.23 C ATOM 1209 O SER A 74 4.458 0.676 -10.134 1.00 55.34 O ATOM 1210 CB SER A 74 4.446 3.683 -11.287 1.00 71.22 C ATOM 1211 OG SER A 74 3.701 4.758 -11.865 1.00 71.33 O ATOM 0 H SER A 74 3.631 4.705 -9.195 1.00 1.01 H new ATOM 0 HA SER A 74 2.752 2.463 -10.810 1.00 74.54 H new ATOM 0 HB2 SER A 74 5.336 4.072 -10.792 1.00 71.22 H new ATOM 0 HB3 SER A 74 4.787 3.005 -12.070 1.00 71.22 H new ATOM 0 HG SER A 74 3.695 5.520 -11.249 1.00 71.33 H new ATOM 1217 N GLU A 75 4.970 2.071 -8.467 1.00 2.24 N ATOM 1218 CA GLU A 75 5.707 1.050 -7.731 1.00 20.42 C ATOM 1219 C GLU A 75 4.813 0.317 -6.757 1.00 73.23 C ATOM 1220 O GLU A 75 5.239 -0.652 -6.119 1.00 33.00 O ATOM 1221 CB GLU A 75 6.918 1.634 -7.011 1.00 64.21 C ATOM 1222 CG GLU A 75 8.068 1.969 -7.927 1.00 22.22 C ATOM 1223 CD GLU A 75 8.552 0.756 -8.682 1.00 54.34 C ATOM 1224 OE1 GLU A 75 9.054 -0.189 -8.053 1.00 63.41 O ATOM 1225 OE2 GLU A 75 8.452 0.730 -9.929 1.00 42.31 O ATOM 0 H GLU A 75 4.952 2.988 -8.021 1.00 2.24 H new ATOM 0 HA GLU A 75 6.071 0.332 -8.466 1.00 20.42 H new ATOM 0 HB2 GLU A 75 6.613 2.536 -6.481 1.00 64.21 H new ATOM 0 HB3 GLU A 75 7.260 0.923 -6.259 1.00 64.21 H new ATOM 0 HG2 GLU A 75 7.758 2.738 -8.634 1.00 22.22 H new ATOM 0 HG3 GLU A 75 8.889 2.386 -7.343 1.00 22.22 H new ATOM 1232 N PHE A 76 3.583 0.772 -6.670 1.00 61.12 N ATOM 1233 CA PHE A 76 2.584 0.232 -5.770 1.00 32.55 C ATOM 1234 C PHE A 76 2.378 -1.265 -5.996 1.00 72.30 C ATOM 1235 O PHE A 76 2.584 -2.073 -5.087 1.00 0.13 O ATOM 1236 CB PHE A 76 1.266 1.001 -5.957 1.00 64.33 C ATOM 1237 CG PHE A 76 0.159 0.535 -5.081 1.00 62.11 C ATOM 1238 CD1 PHE A 76 0.192 0.796 -3.738 1.00 15.40 C ATOM 1239 CD2 PHE A 76 -0.898 -0.186 -5.601 1.00 3.24 C ATOM 1240 CE1 PHE A 76 -0.812 0.350 -2.911 1.00 42.43 C ATOM 1241 CE2 PHE A 76 -1.908 -0.643 -4.783 1.00 11.21 C ATOM 1242 CZ PHE A 76 -1.864 -0.374 -3.434 1.00 23.42 C ATOM 0 H PHE A 76 3.239 1.547 -7.237 1.00 61.12 H new ATOM 0 HA PHE A 76 2.933 0.355 -4.745 1.00 32.55 H new ATOM 0 HB2 PHE A 76 1.445 2.059 -5.765 1.00 64.33 H new ATOM 0 HB3 PHE A 76 0.952 0.914 -6.997 1.00 64.33 H new ATOM 0 HD1 PHE A 76 1.015 1.358 -3.323 1.00 15.40 H new ATOM 0 HD2 PHE A 76 -0.933 -0.394 -6.660 1.00 3.24 H new ATOM 0 HE1 PHE A 76 -0.777 0.566 -1.853 1.00 42.43 H new ATOM 0 HE2 PHE A 76 -2.729 -1.209 -5.198 1.00 11.21 H new ATOM 0 HZ PHE A 76 -2.652 -0.729 -2.786 1.00 23.42 H new ATOM 1252 N GLY A 77 2.047 -1.637 -7.226 1.00 62.14 N ATOM 1253 CA GLY A 77 1.781 -3.033 -7.539 1.00 64.44 C ATOM 1254 C GLY A 77 3.015 -3.910 -7.440 1.00 71.20 C ATOM 1255 O GLY A 77 2.915 -5.126 -7.340 1.00 41.32 O ATOM 0 H GLY A 77 1.957 -0.998 -8.016 1.00 62.14 H new ATOM 0 HA2 GLY A 77 1.017 -3.412 -6.860 1.00 64.44 H new ATOM 0 HA3 GLY A 77 1.373 -3.102 -8.548 1.00 64.44 H new ATOM 1259 N GLN A 78 4.174 -3.289 -7.447 1.00 12.42 N ATOM 1260 CA GLN A 78 5.419 -4.016 -7.366 1.00 71.23 C ATOM 1261 C GLN A 78 5.813 -4.254 -5.917 1.00 42.14 C ATOM 1262 O GLN A 78 6.421 -5.270 -5.583 1.00 63.32 O ATOM 1263 CB GLN A 78 6.521 -3.285 -8.128 1.00 43.54 C ATOM 1264 CG GLN A 78 6.233 -3.147 -9.618 1.00 62.31 C ATOM 1265 CD GLN A 78 6.031 -4.493 -10.300 1.00 35.34 C ATOM 1266 OE1 GLN A 78 6.601 -5.510 -9.890 1.00 51.54 O ATOM 1267 NE2 GLN A 78 5.217 -4.521 -11.317 1.00 14.34 N ATOM 0 H GLN A 78 4.279 -2.276 -7.508 1.00 12.42 H new ATOM 0 HA GLN A 78 5.279 -4.990 -7.835 1.00 71.23 H new ATOM 0 HB2 GLN A 78 6.654 -2.293 -7.697 1.00 43.54 H new ATOM 0 HB3 GLN A 78 7.462 -3.819 -7.995 1.00 43.54 H new ATOM 0 HG2 GLN A 78 5.342 -2.535 -9.757 1.00 62.31 H new ATOM 0 HG3 GLN A 78 7.059 -2.621 -10.097 1.00 62.31 H new ATOM 0 HE21 GLN A 78 4.763 -3.663 -11.630 1.00 14.34 H new ATOM 0 HE22 GLN A 78 5.034 -5.401 -11.800 1.00 14.34 H new ATOM 1276 N PHE A 79 5.453 -3.315 -5.071 1.00 33.43 N ATOM 1277 CA PHE A 79 5.717 -3.385 -3.645 1.00 32.51 C ATOM 1278 C PHE A 79 4.795 -4.399 -2.970 1.00 72.23 C ATOM 1279 O PHE A 79 5.191 -5.110 -2.036 1.00 13.20 O ATOM 1280 CB PHE A 79 5.520 -1.990 -3.025 1.00 4.11 C ATOM 1281 CG PHE A 79 5.642 -1.935 -1.526 1.00 24.03 C ATOM 1282 CD1 PHE A 79 6.878 -1.886 -0.922 1.00 45.43 C ATOM 1283 CD2 PHE A 79 4.509 -1.914 -0.722 1.00 11.41 C ATOM 1284 CE1 PHE A 79 6.984 -1.822 0.444 1.00 41.35 C ATOM 1285 CE2 PHE A 79 4.618 -1.852 0.648 1.00 45.31 C ATOM 1286 CZ PHE A 79 5.863 -1.807 1.230 1.00 35.33 C ATOM 0 H PHE A 79 4.961 -2.468 -5.355 1.00 33.43 H new ATOM 0 HA PHE A 79 6.745 -3.712 -3.490 1.00 32.51 H new ATOM 0 HB2 PHE A 79 6.253 -1.310 -3.459 1.00 4.11 H new ATOM 0 HB3 PHE A 79 4.535 -1.620 -3.308 1.00 4.11 H new ATOM 0 HD1 PHE A 79 7.771 -1.898 -1.529 1.00 45.43 H new ATOM 0 HD2 PHE A 79 3.531 -1.947 -1.178 1.00 11.41 H new ATOM 0 HE1 PHE A 79 7.960 -1.783 0.904 1.00 41.35 H new ATOM 0 HE2 PHE A 79 3.730 -1.839 1.263 1.00 45.31 H new ATOM 0 HZ PHE A 79 5.956 -1.760 2.305 1.00 35.33 H new ATOM 1296 N LEU A 80 3.574 -4.445 -3.436 1.00 20.05 N ATOM 1297 CA LEU A 80 2.558 -5.300 -2.856 1.00 34.50 C ATOM 1298 C LEU A 80 2.785 -6.796 -3.060 1.00 64.31 C ATOM 1299 O LEU A 80 3.509 -7.212 -3.960 1.00 41.41 O ATOM 1300 CB LEU A 80 1.160 -4.914 -3.332 1.00 12.10 C ATOM 1301 CG LEU A 80 0.400 -3.987 -2.408 1.00 11.22 C ATOM 1302 CD1 LEU A 80 0.919 -2.575 -2.452 1.00 23.54 C ATOM 1303 CD2 LEU A 80 -1.074 -4.073 -2.670 1.00 31.23 C ATOM 0 H LEU A 80 3.250 -3.892 -4.229 1.00 20.05 H new ATOM 0 HA LEU A 80 2.642 -5.126 -1.783 1.00 34.50 H new ATOM 0 HB2 LEU A 80 1.244 -4.439 -4.309 1.00 12.10 H new ATOM 0 HB3 LEU A 80 0.576 -5.824 -3.469 1.00 12.10 H new ATOM 0 HG LEU A 80 0.571 -4.324 -1.386 1.00 11.22 H new ATOM 0 HD11 LEU A 80 0.339 -1.953 -1.771 1.00 23.54 H new ATOM 0 HD12 LEU A 80 1.967 -2.563 -2.151 1.00 23.54 H new ATOM 0 HD13 LEU A 80 0.828 -2.185 -3.466 1.00 23.54 H new ATOM 0 HD21 LEU A 80 -1.603 -3.399 -1.996 1.00 31.23 H new ATOM 0 HD22 LEU A 80 -1.277 -3.787 -3.702 1.00 31.23 H new ATOM 0 HD23 LEU A 80 -1.414 -5.095 -2.503 1.00 31.23 H new ATOM 1315 N PRO A 81 2.117 -7.636 -2.209 1.00 23.01 N ATOM 1316 CA PRO A 81 2.168 -9.116 -2.309 1.00 25.24 C ATOM 1317 C PRO A 81 1.341 -9.621 -3.499 1.00 33.50 C ATOM 1318 O PRO A 81 1.249 -10.822 -3.764 1.00 31.34 O ATOM 1319 CB PRO A 81 1.498 -9.567 -1.002 1.00 34.22 C ATOM 1320 CG PRO A 81 0.568 -8.449 -0.653 1.00 12.24 C ATOM 1321 CD PRO A 81 1.276 -7.204 -1.052 1.00 24.35 C ATOM 0 HA PRO A 81 3.181 -9.492 -2.452 1.00 25.24 H new ATOM 0 HB2 PRO A 81 0.959 -10.505 -1.135 1.00 34.22 H new ATOM 0 HB3 PRO A 81 2.234 -9.732 -0.215 1.00 34.22 H new ATOM 0 HG2 PRO A 81 -0.380 -8.548 -1.182 1.00 12.24 H new ATOM 0 HG3 PRO A 81 0.340 -8.446 0.413 1.00 12.24 H new ATOM 0 HD2 PRO A 81 0.576 -6.418 -1.336 1.00 24.35 H new ATOM 0 HD3 PRO A 81 1.885 -6.810 -0.238 1.00 24.35 H new ATOM 1329 N GLU A 82 0.754 -8.688 -4.194 1.00 53.35 N ATOM 1330 CA GLU A 82 -0.095 -8.927 -5.319 1.00 11.13 C ATOM 1331 C GLU A 82 0.767 -9.058 -6.575 1.00 55.22 C ATOM 1332 O GLU A 82 0.710 -8.225 -7.468 1.00 52.10 O ATOM 1333 CB GLU A 82 -1.106 -7.788 -5.464 1.00 34.35 C ATOM 1334 CG GLU A 82 -2.310 -8.150 -6.303 1.00 23.35 C ATOM 1335 CD GLU A 82 -3.088 -9.262 -5.671 1.00 71.12 C ATOM 1336 OE1 GLU A 82 -3.806 -9.015 -4.682 1.00 3.52 O ATOM 1337 OE2 GLU A 82 -2.984 -10.407 -6.127 1.00 22.52 O ATOM 0 H GLU A 82 0.861 -7.697 -3.979 1.00 53.35 H new ATOM 0 HA GLU A 82 -0.652 -9.853 -5.174 1.00 11.13 H new ATOM 0 HB2 GLU A 82 -1.443 -7.484 -4.473 1.00 34.35 H new ATOM 0 HB3 GLU A 82 -0.609 -6.927 -5.910 1.00 34.35 H new ATOM 0 HG2 GLU A 82 -2.950 -7.276 -6.424 1.00 23.35 H new ATOM 0 HG3 GLU A 82 -1.987 -8.448 -7.300 1.00 23.35 H new ATOM 1344 N ALA A 83 1.620 -10.076 -6.579 1.00 3.53 N ATOM 1345 CA ALA A 83 2.609 -10.344 -7.639 1.00 22.21 C ATOM 1346 C ALA A 83 2.037 -10.366 -9.069 1.00 51.21 C ATOM 1347 O ALA A 83 2.793 -10.284 -10.032 1.00 3.40 O ATOM 1348 CB ALA A 83 3.357 -11.628 -7.344 1.00 61.12 C ATOM 0 H ALA A 83 1.651 -10.763 -5.826 1.00 3.53 H new ATOM 0 HA ALA A 83 3.293 -9.496 -7.621 1.00 22.21 H new ATOM 0 HB1 ALA A 83 4.084 -11.815 -8.134 1.00 61.12 H new ATOM 0 HB2 ALA A 83 3.874 -11.537 -6.389 1.00 61.12 H new ATOM 0 HB3 ALA A 83 2.651 -12.457 -7.297 1.00 61.12 H new ATOM 1354 N LYS A 84 0.732 -10.497 -9.217 1.00 60.44 N ATOM 1355 CA LYS A 84 0.130 -10.428 -10.528 1.00 44.40 C ATOM 1356 C LYS A 84 0.053 -8.977 -11.052 1.00 71.22 C ATOM 1357 O LYS A 84 -0.254 -8.732 -12.218 1.00 75.05 O ATOM 1358 CB LYS A 84 -1.190 -11.211 -10.593 1.00 70.02 C ATOM 1359 CG LYS A 84 -2.259 -10.849 -9.571 1.00 42.25 C ATOM 1360 CD LYS A 84 -3.056 -9.631 -9.978 1.00 23.42 C ATOM 1361 CE LYS A 84 -4.296 -9.479 -9.126 1.00 34.43 C ATOM 1362 NZ LYS A 84 -5.128 -8.353 -9.561 1.00 74.33 N ATOM 0 H LYS A 84 0.076 -10.650 -8.451 1.00 60.44 H new ATOM 0 HA LYS A 84 0.788 -10.938 -11.231 1.00 44.40 H new ATOM 0 HB2 LYS A 84 -1.614 -11.078 -11.588 1.00 70.02 H new ATOM 0 HB3 LYS A 84 -0.961 -12.271 -10.483 1.00 70.02 H new ATOM 0 HG2 LYS A 84 -2.934 -11.695 -9.440 1.00 42.25 H new ATOM 0 HG3 LYS A 84 -1.788 -10.665 -8.606 1.00 42.25 H new ATOM 0 HD2 LYS A 84 -2.436 -8.739 -9.885 1.00 23.42 H new ATOM 0 HD3 LYS A 84 -3.340 -9.713 -11.027 1.00 23.42 H new ATOM 0 HE2 LYS A 84 -4.880 -10.399 -9.169 1.00 34.43 H new ATOM 0 HE3 LYS A 84 -4.005 -9.334 -8.086 1.00 34.43 H new ATOM 0 HZ1 LYS A 84 -6.049 -8.395 -9.079 1.00 74.33 H new ATOM 0 HZ2 LYS A 84 -4.653 -7.459 -9.324 1.00 74.33 H new ATOM 0 HZ3 LYS A 84 -5.273 -8.406 -10.589 1.00 74.33 H new ATOM 1376 N ARG A 85 0.236 -8.032 -10.157 1.00 32.11 N ATOM 1377 CA ARG A 85 0.363 -6.628 -10.511 1.00 33.32 C ATOM 1378 C ARG A 85 1.793 -6.144 -10.356 1.00 5.32 C ATOM 1379 O ARG A 85 2.652 -6.886 -9.847 1.00 72.45 O ATOM 1380 CB ARG A 85 -0.601 -5.757 -9.729 1.00 33.52 C ATOM 1381 CG ARG A 85 -2.025 -5.785 -10.267 1.00 62.04 C ATOM 1382 CD ARG A 85 -2.158 -5.077 -11.631 1.00 53.44 C ATOM 1383 NE ARG A 85 -1.425 -5.745 -12.729 1.00 11.22 N ATOM 1384 CZ ARG A 85 -0.911 -5.113 -13.797 1.00 64.41 C ATOM 1385 NH1 ARG A 85 -1.085 -3.795 -13.945 1.00 20.44 N ATOM 1386 NH2 ARG A 85 -0.222 -5.798 -14.715 1.00 13.43 N ATOM 0 H ARG A 85 0.302 -8.213 -9.155 1.00 32.11 H new ATOM 0 HA ARG A 85 0.095 -6.539 -11.564 1.00 33.32 H new ATOM 0 HB2 ARG A 85 -0.609 -6.082 -8.689 1.00 33.52 H new ATOM 0 HB3 ARG A 85 -0.238 -4.729 -9.739 1.00 33.52 H new ATOM 0 HG2 ARG A 85 -2.352 -6.820 -10.366 1.00 62.04 H new ATOM 0 HG3 ARG A 85 -2.691 -5.308 -9.548 1.00 62.04 H new ATOM 0 HD2 ARG A 85 -3.214 -5.017 -11.896 1.00 53.44 H new ATOM 0 HD3 ARG A 85 -1.795 -4.054 -11.535 1.00 53.44 H new ATOM 0 HE ARG A 85 -1.301 -6.756 -12.671 1.00 11.22 H new ATOM 0 HH11 ARG A 85 -1.609 -3.268 -13.246 1.00 20.44 H new ATOM 0 HH12 ARG A 85 -0.694 -3.317 -14.757 1.00 20.44 H new ATOM 0 HH21 ARG A 85 -0.086 -6.803 -14.605 1.00 13.43 H new ATOM 0 HH22 ARG A 85 0.167 -5.316 -15.525 1.00 13.43 H new TER 1400 ARG A 85