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 Single : A 1 GLU N :NH3+ 141:sc= 0.0749 (180deg=-0.0938) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc=-0.00792 K(o=-0.0079,f=-0.87) USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 12 SER OG : rot 75:sc= 1.27 USER MOD Single : A 13 TYR OH : rot 180:sc= -0.0545 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 16 LYS NZ :NH3+ -170:sc=-0.000832 (180deg=-0.096) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HE2:sc= 0.845 K(o=0.84,f=-2.7!) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.558 USER MOD Single : A 30 SER OG : rot 33:sc= 1.29 USER MOD Single : A 36 HIS : no HD1:sc=-0.00928 X(o=-0.0093,f=0) USER MOD Single : A 37 THR OG1 : rot 91:sc= 1.07 USER MOD Single : A 38 TYR OH : rot 180:sc= -0.202 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -2.17! C(o=-2.2!,f=-2.3!) USER MOD Single : A 44 HIS : no HE2:sc= 0.285 K(o=0.29,f=-6.2!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0365) USER MOD Single : A 53 MET CE :methyl 141:sc= -3.96! (180deg=-5.21!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 64:sc= 1.01 USER MOD Single : A 64 ASN : amide:sc= 1.18 K(o=1.2,f=-6.2!) USER MOD Single : A 69 GLN : amide:sc= -0.0251 K(o=-0.025,f=-0.68) USER MOD Single : A 74 SER OG : rot 81:sc= 0.782 USER MOD Single : A 78 GLN : amide:sc=-0.00135 X(o=-0.0014,f=-0.36) USER MOD Single : A 84 LYS NZ :NH3+ -173:sc= 1.24 (180deg=1.07) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 18.045 -17.125 2.007 1.00 44.11 N ATOM 2 CA GLU A 1 18.350 -15.858 1.382 1.00 14.50 C ATOM 3 C GLU A 1 19.235 -15.032 2.310 1.00 33.51 C ATOM 4 O GLU A 1 19.166 -15.177 3.538 1.00 14.52 O ATOM 5 CB GLU A 1 17.054 -15.099 1.026 1.00 14.43 C ATOM 6 CG GLU A 1 16.131 -14.825 2.210 1.00 71.34 C ATOM 7 CD GLU A 1 14.873 -14.093 1.813 1.00 63.31 C ATOM 8 OE1 GLU A 1 14.872 -12.843 1.819 1.00 60.51 O ATOM 9 OE2 GLU A 1 13.855 -14.752 1.499 1.00 53.32 O ATOM 0 H1 GLU A 1 17.057 -17.382 1.807 1.00 44.11 H new ATOM 0 H2 GLU A 1 18.677 -17.859 1.630 1.00 44.11 H new ATOM 0 H3 GLU A 1 18.181 -17.046 3.035 1.00 44.11 H new ATOM 0 HA GLU A 1 18.890 -16.038 0.452 1.00 14.50 H new ATOM 0 HB2 GLU A 1 17.321 -14.149 0.563 1.00 14.43 H new ATOM 0 HB3 GLU A 1 16.505 -15.674 0.280 1.00 14.43 H new ATOM 0 HG2 GLU A 1 15.862 -15.770 2.682 1.00 71.34 H new ATOM 0 HG3 GLU A 1 16.668 -14.238 2.955 1.00 71.34 H new ATOM 16 N SER A 2 20.054 -14.210 1.746 1.00 22.01 N ATOM 17 CA SER A 2 20.934 -13.369 2.501 1.00 22.10 C ATOM 18 C SER A 2 20.463 -11.942 2.353 1.00 70.31 C ATOM 19 O SER A 2 19.831 -11.613 1.337 1.00 11.04 O ATOM 20 CB SER A 2 22.357 -13.523 1.976 1.00 4.03 C ATOM 21 OG SER A 2 22.733 -14.895 1.969 1.00 41.50 O ATOM 0 H SER A 2 20.136 -14.098 0.735 1.00 22.01 H new ATOM 0 HA SER A 2 20.926 -13.648 3.555 1.00 22.10 H new ATOM 0 HB2 SER A 2 22.427 -13.114 0.968 1.00 4.03 H new ATOM 0 HB3 SER A 2 23.046 -12.953 2.599 1.00 4.03 H new ATOM 0 HG SER A 2 23.648 -14.982 1.628 1.00 41.50 H new ATOM 27 N ASP A 3 20.722 -11.122 3.373 1.00 11.11 N ATOM 28 CA ASP A 3 20.331 -9.702 3.398 1.00 74.01 C ATOM 29 C ASP A 3 18.789 -9.619 3.425 1.00 64.13 C ATOM 30 O ASP A 3 18.113 -10.610 3.750 1.00 44.24 O ATOM 31 CB ASP A 3 20.957 -8.945 2.173 1.00 31.24 C ATOM 32 CG ASP A 3 20.817 -7.428 2.216 1.00 44.11 C ATOM 33 OD1 ASP A 3 21.650 -6.752 2.847 1.00 53.44 O ATOM 34 OD2 ASP A 3 19.880 -6.882 1.621 1.00 3.45 O ATOM 0 H ASP A 3 21.213 -11.423 4.215 1.00 11.11 H new ATOM 0 HA ASP A 3 20.714 -9.211 4.292 1.00 74.01 H new ATOM 0 HB2 ASP A 3 22.016 -9.196 2.112 1.00 31.24 H new ATOM 0 HB3 ASP A 3 20.489 -9.313 1.260 1.00 31.24 H new ATOM 39 N SER A 4 18.244 -8.492 3.132 1.00 52.21 N ATOM 40 CA SER A 4 16.833 -8.299 3.099 1.00 24.25 C ATOM 41 C SER A 4 16.532 -7.495 1.855 1.00 31.23 C ATOM 42 O SER A 4 15.826 -6.519 1.893 1.00 30.33 O ATOM 43 CB SER A 4 16.372 -7.569 4.373 1.00 34.54 C ATOM 44 OG SER A 4 16.706 -8.309 5.546 1.00 75.04 O ATOM 0 H SER A 4 18.779 -7.655 2.902 1.00 52.21 H new ATOM 0 HA SER A 4 16.297 -9.248 3.069 1.00 24.25 H new ATOM 0 HB2 SER A 4 16.836 -6.584 4.418 1.00 34.54 H new ATOM 0 HB3 SER A 4 15.294 -7.412 4.334 1.00 34.54 H new ATOM 0 HG SER A 4 16.402 -7.820 6.339 1.00 75.04 H new ATOM 50 N VAL A 5 17.057 -7.977 0.750 1.00 34.15 N ATOM 51 CA VAL A 5 17.032 -7.310 -0.539 1.00 5.41 C ATOM 52 C VAL A 5 15.619 -6.936 -0.980 1.00 44.02 C ATOM 53 O VAL A 5 15.342 -5.778 -1.313 1.00 3.33 O ATOM 54 CB VAL A 5 17.649 -8.213 -1.615 1.00 52.21 C ATOM 55 CG1 VAL A 5 17.818 -7.453 -2.904 1.00 30.32 C ATOM 56 CG2 VAL A 5 18.963 -8.811 -1.145 1.00 51.41 C ATOM 0 H VAL A 5 17.532 -8.879 0.721 1.00 34.15 H new ATOM 0 HA VAL A 5 17.610 -6.393 -0.422 1.00 5.41 H new ATOM 0 HB VAL A 5 16.966 -9.043 -1.799 1.00 52.21 H new ATOM 0 HG11 VAL A 5 18.257 -8.107 -3.657 1.00 30.32 H new ATOM 0 HG12 VAL A 5 16.846 -7.102 -3.250 1.00 30.32 H new ATOM 0 HG13 VAL A 5 18.474 -6.598 -2.739 1.00 30.32 H new ATOM 0 HG21 VAL A 5 19.375 -9.446 -1.929 1.00 51.41 H new ATOM 0 HG22 VAL A 5 19.667 -8.010 -0.919 1.00 51.41 H new ATOM 0 HG23 VAL A 5 18.792 -9.407 -0.249 1.00 51.41 H new ATOM 66 N GLU A 6 14.729 -7.895 -0.939 1.00 4.34 N ATOM 67 CA GLU A 6 13.367 -7.689 -1.397 1.00 15.51 C ATOM 68 C GLU A 6 12.618 -6.762 -0.448 1.00 22.13 C ATOM 69 O GLU A 6 11.764 -5.960 -0.861 1.00 30.42 O ATOM 70 CB GLU A 6 12.659 -9.024 -1.544 1.00 2.23 C ATOM 71 CG GLU A 6 13.372 -9.963 -2.501 1.00 4.51 C ATOM 72 CD GLU A 6 13.535 -9.364 -3.878 1.00 70.15 C ATOM 73 OE1 GLU A 6 12.518 -9.178 -4.575 1.00 51.35 O ATOM 74 OE2 GLU A 6 14.686 -9.086 -4.300 1.00 0.34 O ATOM 0 H GLU A 6 14.920 -8.835 -0.591 1.00 4.34 H new ATOM 0 HA GLU A 6 13.390 -7.209 -2.375 1.00 15.51 H new ATOM 0 HB2 GLU A 6 12.581 -9.499 -0.566 1.00 2.23 H new ATOM 0 HB3 GLU A 6 11.642 -8.854 -1.898 1.00 2.23 H new ATOM 0 HG2 GLU A 6 14.353 -10.213 -2.098 1.00 4.51 H new ATOM 0 HG3 GLU A 6 12.812 -10.895 -2.577 1.00 4.51 H new ATOM 81 N PHE A 7 12.989 -6.842 0.804 1.00 42.03 N ATOM 82 CA PHE A 7 12.456 -6.017 1.849 1.00 13.05 C ATOM 83 C PHE A 7 12.990 -4.618 1.662 1.00 25.43 C ATOM 84 O PHE A 7 12.277 -3.687 1.813 1.00 65.32 O ATOM 85 CB PHE A 7 12.886 -6.614 3.177 1.00 12.51 C ATOM 86 CG PHE A 7 12.291 -6.027 4.413 1.00 40.23 C ATOM 87 CD1 PHE A 7 10.955 -6.200 4.691 1.00 24.13 C ATOM 88 CD2 PHE A 7 13.080 -5.336 5.311 1.00 24.41 C ATOM 89 CE1 PHE A 7 10.400 -5.689 5.850 1.00 43.53 C ATOM 90 CE2 PHE A 7 12.540 -4.824 6.477 1.00 4.15 C ATOM 91 CZ PHE A 7 11.195 -5.001 6.745 1.00 33.21 C ATOM 0 H PHE A 7 13.692 -7.505 1.131 1.00 42.03 H new ATOM 0 HA PHE A 7 11.367 -5.972 1.825 1.00 13.05 H new ATOM 0 HB2 PHE A 7 12.650 -7.678 3.161 1.00 12.51 H new ATOM 0 HB3 PHE A 7 13.970 -6.529 3.251 1.00 12.51 H new ATOM 0 HD1 PHE A 7 10.332 -6.742 3.995 1.00 24.13 H new ATOM 0 HD2 PHE A 7 14.130 -5.194 5.101 1.00 24.41 H new ATOM 0 HE1 PHE A 7 9.349 -5.828 6.054 1.00 43.53 H new ATOM 0 HE2 PHE A 7 13.166 -4.288 7.175 1.00 4.15 H new ATOM 0 HZ PHE A 7 10.767 -4.602 7.653 1.00 33.21 H new ATOM 101 N ASN A 8 14.243 -4.501 1.257 1.00 2.33 N ATOM 102 CA ASN A 8 14.871 -3.196 0.983 1.00 72.03 C ATOM 103 C ASN A 8 14.166 -2.495 -0.150 1.00 5.32 C ATOM 104 O ASN A 8 14.009 -1.279 -0.126 1.00 43.42 O ATOM 105 CB ASN A 8 16.373 -3.315 0.656 1.00 23.40 C ATOM 106 CG ASN A 8 17.228 -3.725 1.833 1.00 42.44 C ATOM 107 OD1 ASN A 8 16.918 -3.413 2.982 1.00 51.20 O ATOM 108 ND2 ASN A 8 18.307 -4.414 1.565 1.00 44.32 N ATOM 0 H ASN A 8 14.862 -5.298 1.106 1.00 2.33 H new ATOM 0 HA ASN A 8 14.776 -2.611 1.898 1.00 72.03 H new ATOM 0 HB2 ASN A 8 16.503 -4.042 -0.145 1.00 23.40 H new ATOM 0 HB3 ASN A 8 16.729 -2.357 0.278 1.00 23.40 H new ATOM 0 HD21 ASN A 8 18.923 -4.711 2.321 1.00 44.32 H new ATOM 0 HD22 ASN A 8 18.532 -4.654 0.600 1.00 44.32 H new ATOM 115 N ASN A 9 13.733 -3.262 -1.144 1.00 53.13 N ATOM 116 CA ASN A 9 12.946 -2.711 -2.260 1.00 2.12 C ATOM 117 C ASN A 9 11.647 -2.151 -1.719 1.00 54.45 C ATOM 118 O ASN A 9 11.208 -1.061 -2.094 1.00 54.13 O ATOM 119 CB ASN A 9 12.642 -3.778 -3.332 1.00 72.21 C ATOM 120 CG ASN A 9 13.877 -4.312 -4.028 1.00 61.31 C ATOM 121 OD1 ASN A 9 14.881 -3.619 -4.156 1.00 74.32 O ATOM 122 ND2 ASN A 9 13.810 -5.529 -4.498 1.00 42.20 N ATOM 0 H ASN A 9 13.909 -4.265 -1.207 1.00 53.13 H new ATOM 0 HA ASN A 9 13.534 -1.925 -2.735 1.00 2.12 H new ATOM 0 HB2 ASN A 9 12.111 -4.608 -2.865 1.00 72.21 H new ATOM 0 HB3 ASN A 9 11.972 -3.350 -4.078 1.00 72.21 H new ATOM 0 HD21 ASN A 9 14.609 -5.931 -4.989 1.00 42.20 H new ATOM 0 HD22 ASN A 9 12.959 -6.078 -4.374 1.00 42.20 H new ATOM 129 N ALA A 10 11.074 -2.890 -0.786 1.00 73.44 N ATOM 130 CA ALA A 10 9.857 -2.506 -0.113 1.00 61.42 C ATOM 131 C ALA A 10 10.106 -1.258 0.750 1.00 51.45 C ATOM 132 O ALA A 10 9.318 -0.310 0.738 1.00 51.12 O ATOM 133 CB ALA A 10 9.354 -3.680 0.740 1.00 54.41 C ATOM 0 H ALA A 10 11.450 -3.785 -0.474 1.00 73.44 H new ATOM 0 HA ALA A 10 9.091 -2.259 -0.848 1.00 61.42 H new ATOM 0 HB1 ALA A 10 8.434 -3.392 1.249 1.00 54.41 H new ATOM 0 HB2 ALA A 10 9.159 -4.539 0.098 1.00 54.41 H new ATOM 0 HB3 ALA A 10 10.111 -3.943 1.479 1.00 54.41 H new ATOM 139 N ILE A 11 11.232 -1.253 1.462 1.00 44.23 N ATOM 140 CA ILE A 11 11.602 -0.146 2.337 1.00 42.42 C ATOM 141 C ILE A 11 11.812 1.111 1.539 1.00 23.15 C ATOM 142 O ILE A 11 11.380 2.164 1.938 1.00 31.45 O ATOM 143 CB ILE A 11 12.893 -0.399 3.167 1.00 51.11 C ATOM 144 CG1 ILE A 11 12.834 -1.716 3.942 1.00 30.13 C ATOM 145 CG2 ILE A 11 13.159 0.759 4.126 1.00 75.41 C ATOM 146 CD1 ILE A 11 11.490 -2.070 4.534 1.00 32.11 C ATOM 0 H ILE A 11 11.910 -2.015 1.448 1.00 44.23 H new ATOM 0 HA ILE A 11 10.768 -0.046 3.032 1.00 42.42 H new ATOM 0 HB ILE A 11 13.715 -0.470 2.455 1.00 51.11 H new ATOM 0 HG12 ILE A 11 13.140 -2.522 3.275 1.00 30.13 H new ATOM 0 HG13 ILE A 11 13.566 -1.674 4.749 1.00 30.13 H new ATOM 0 HG21 ILE A 11 14.067 0.559 4.695 1.00 75.41 H new ATOM 0 HG22 ILE A 11 13.283 1.681 3.558 1.00 75.41 H new ATOM 0 HG23 ILE A 11 12.318 0.865 4.811 1.00 75.41 H new ATOM 0 HD11 ILE A 11 11.564 -3.022 5.060 1.00 32.11 H new ATOM 0 HD12 ILE A 11 11.184 -1.292 5.233 1.00 32.11 H new ATOM 0 HD13 ILE A 11 10.752 -2.153 3.737 1.00 32.11 H new ATOM 158 N SER A 12 12.460 0.984 0.396 1.00 72.35 N ATOM 159 CA SER A 12 12.739 2.120 -0.465 1.00 42.42 C ATOM 160 C SER A 12 11.438 2.835 -0.864 1.00 14.22 C ATOM 161 O SER A 12 11.385 4.076 -0.910 1.00 52.44 O ATOM 162 CB SER A 12 13.534 1.661 -1.689 1.00 24.34 C ATOM 163 OG SER A 12 14.753 1.033 -1.291 1.00 74.02 O ATOM 0 H SER A 12 12.807 0.094 0.038 1.00 72.35 H new ATOM 0 HA SER A 12 13.346 2.842 0.081 1.00 42.42 H new ATOM 0 HB2 SER A 12 12.936 0.966 -2.278 1.00 24.34 H new ATOM 0 HB3 SER A 12 13.751 2.516 -2.329 1.00 24.34 H new ATOM 0 HG SER A 12 14.561 0.138 -0.942 1.00 74.02 H new ATOM 169 N TYR A 13 10.391 2.053 -1.089 1.00 4.12 N ATOM 170 CA TYR A 13 9.080 2.585 -1.385 1.00 33.23 C ATOM 171 C TYR A 13 8.526 3.318 -0.161 1.00 64.34 C ATOM 172 O TYR A 13 8.099 4.473 -0.250 1.00 52.54 O ATOM 173 CB TYR A 13 8.131 1.445 -1.824 1.00 33.04 C ATOM 174 CG TYR A 13 6.665 1.832 -1.870 1.00 22.03 C ATOM 175 CD1 TYR A 13 6.172 2.661 -2.859 1.00 4.53 C ATOM 176 CD2 TYR A 13 5.781 1.369 -0.901 1.00 31.24 C ATOM 177 CE1 TYR A 13 4.844 3.022 -2.878 1.00 51.02 C ATOM 178 CE2 TYR A 13 4.451 1.723 -0.922 1.00 44.31 C ATOM 179 CZ TYR A 13 3.990 2.553 -1.911 1.00 53.33 C ATOM 180 OH TYR A 13 2.668 2.928 -1.927 1.00 24.24 O ATOM 0 H TYR A 13 10.433 1.034 -1.070 1.00 4.12 H new ATOM 0 HA TYR A 13 9.158 3.298 -2.206 1.00 33.23 H new ATOM 0 HB2 TYR A 13 8.433 1.097 -2.812 1.00 33.04 H new ATOM 0 HB3 TYR A 13 8.251 0.605 -1.140 1.00 33.04 H new ATOM 0 HD1 TYR A 13 6.836 3.030 -3.626 1.00 4.53 H new ATOM 0 HD2 TYR A 13 6.145 0.720 -0.118 1.00 31.24 H new ATOM 0 HE1 TYR A 13 4.473 3.675 -3.654 1.00 51.02 H new ATOM 0 HE2 TYR A 13 3.776 1.350 -0.166 1.00 44.31 H new ATOM 0 HH TYR A 13 2.200 2.508 -1.175 1.00 24.24 H new ATOM 190 N VAL A 14 8.587 2.656 0.976 1.00 15.04 N ATOM 191 CA VAL A 14 8.058 3.191 2.215 1.00 40.31 C ATOM 192 C VAL A 14 8.824 4.442 2.683 1.00 73.51 C ATOM 193 O VAL A 14 8.216 5.425 3.092 1.00 11.11 O ATOM 194 CB VAL A 14 8.040 2.128 3.339 1.00 75.03 C ATOM 195 CG1 VAL A 14 7.528 2.740 4.622 1.00 2.31 C ATOM 196 CG2 VAL A 14 7.171 0.942 2.942 1.00 22.42 C ATOM 0 H VAL A 14 9.005 1.730 1.068 1.00 15.04 H new ATOM 0 HA VAL A 14 7.030 3.485 2.003 1.00 40.31 H new ATOM 0 HB VAL A 14 9.058 1.773 3.496 1.00 75.03 H new ATOM 0 HG11 VAL A 14 7.519 1.984 5.407 1.00 2.31 H new ATOM 0 HG12 VAL A 14 8.179 3.563 4.918 1.00 2.31 H new ATOM 0 HG13 VAL A 14 6.516 3.115 4.468 1.00 2.31 H new ATOM 0 HG21 VAL A 14 7.171 0.206 3.746 1.00 22.42 H new ATOM 0 HG22 VAL A 14 6.151 1.282 2.762 1.00 22.42 H new ATOM 0 HG23 VAL A 14 7.568 0.488 2.034 1.00 22.42 H new ATOM 206 N ASN A 15 10.138 4.400 2.598 1.00 73.41 N ATOM 207 CA ASN A 15 11.004 5.470 3.000 1.00 32.32 C ATOM 208 C ASN A 15 10.699 6.724 2.193 1.00 4.12 C ATOM 209 O ASN A 15 10.711 7.847 2.720 1.00 10.02 O ATOM 210 CB ASN A 15 12.410 5.037 2.701 1.00 33.41 C ATOM 211 CG ASN A 15 13.440 6.001 3.159 1.00 72.23 C ATOM 212 OD1 ASN A 15 13.301 6.660 4.194 1.00 22.23 O ATOM 213 ND2 ASN A 15 14.454 6.125 2.394 1.00 2.55 N ATOM 0 H ASN A 15 10.641 3.590 2.234 1.00 73.41 H new ATOM 0 HA ASN A 15 10.865 5.691 4.058 1.00 32.32 H new ATOM 0 HB2 ASN A 15 12.592 4.072 3.174 1.00 33.41 H new ATOM 0 HB3 ASN A 15 12.515 4.890 1.626 1.00 33.41 H new ATOM 0 HD21 ASN A 15 15.191 6.790 2.628 1.00 2.55 H new ATOM 0 HD22 ASN A 15 14.527 5.559 1.548 1.00 2.55 H new ATOM 220 N LYS A 16 10.402 6.513 0.918 1.00 14.14 N ATOM 221 CA LYS A 16 10.064 7.566 0.020 1.00 73.14 C ATOM 222 C LYS A 16 8.782 8.233 0.508 1.00 44.10 C ATOM 223 O LYS A 16 8.702 9.448 0.574 1.00 14.22 O ATOM 224 CB LYS A 16 9.894 6.961 -1.354 1.00 31.23 C ATOM 225 CG LYS A 16 9.574 7.918 -2.474 1.00 11.05 C ATOM 226 CD LYS A 16 9.366 7.136 -3.752 1.00 20.41 C ATOM 227 CE LYS A 16 10.641 6.495 -4.291 1.00 30.52 C ATOM 228 NZ LYS A 16 11.665 7.491 -4.678 1.00 61.11 N ATOM 0 H LYS A 16 10.394 5.587 0.490 1.00 14.14 H new ATOM 0 HA LYS A 16 10.841 8.329 -0.024 1.00 73.14 H new ATOM 0 HB2 LYS A 16 10.811 6.431 -1.610 1.00 31.23 H new ATOM 0 HB3 LYS A 16 9.099 6.217 -1.303 1.00 31.23 H new ATOM 0 HG2 LYS A 16 8.678 8.491 -2.234 1.00 11.05 H new ATOM 0 HG3 LYS A 16 10.386 8.634 -2.600 1.00 11.05 H new ATOM 0 HD2 LYS A 16 8.625 6.357 -3.575 1.00 20.41 H new ATOM 0 HD3 LYS A 16 8.954 7.801 -4.512 1.00 20.41 H new ATOM 0 HE2 LYS A 16 11.056 5.830 -3.534 1.00 30.52 H new ATOM 0 HE3 LYS A 16 10.395 5.879 -5.156 1.00 30.52 H new ATOM 0 HZ1 LYS A 16 12.435 7.016 -5.190 1.00 61.11 H new ATOM 0 HZ2 LYS A 16 11.234 8.212 -5.292 1.00 61.11 H new ATOM 0 HZ3 LYS A 16 12.046 7.946 -3.824 1.00 61.11 H new ATOM 242 N ILE A 17 7.812 7.412 0.921 1.00 63.42 N ATOM 243 CA ILE A 17 6.566 7.892 1.484 1.00 30.34 C ATOM 244 C ILE A 17 6.855 8.694 2.753 1.00 3.10 C ATOM 245 O ILE A 17 6.415 9.840 2.884 1.00 72.04 O ATOM 246 CB ILE A 17 5.640 6.716 1.880 1.00 73.41 C ATOM 247 CG1 ILE A 17 5.311 5.819 0.692 1.00 15.14 C ATOM 248 CG2 ILE A 17 4.374 7.239 2.505 1.00 55.52 C ATOM 249 CD1 ILE A 17 4.462 4.621 1.063 1.00 73.31 C ATOM 0 H ILE A 17 7.878 6.395 0.870 1.00 63.42 H new ATOM 0 HA ILE A 17 6.077 8.506 0.728 1.00 30.34 H new ATOM 0 HB ILE A 17 6.178 6.108 2.607 1.00 73.41 H new ATOM 0 HG12 ILE A 17 4.789 6.406 -0.064 1.00 15.14 H new ATOM 0 HG13 ILE A 17 6.240 5.471 0.240 1.00 15.14 H new ATOM 0 HG21 ILE A 17 3.731 6.403 2.779 1.00 55.52 H new ATOM 0 HG22 ILE A 17 4.620 7.815 3.397 1.00 55.52 H new ATOM 0 HG23 ILE A 17 3.853 7.878 1.792 1.00 55.52 H new ATOM 0 HD11 ILE A 17 4.265 4.025 0.172 1.00 73.31 H new ATOM 0 HD12 ILE A 17 4.992 4.013 1.796 1.00 73.31 H new ATOM 0 HD13 ILE A 17 3.518 4.962 1.488 1.00 73.31 H new ATOM 261 N LYS A 18 7.624 8.073 3.665 1.00 22.22 N ATOM 262 CA LYS A 18 7.982 8.658 4.957 1.00 65.04 C ATOM 263 C LYS A 18 8.500 10.070 4.802 1.00 33.40 C ATOM 264 O LYS A 18 8.073 10.949 5.482 1.00 24.12 O ATOM 265 CB LYS A 18 9.060 7.831 5.690 1.00 64.43 C ATOM 266 CG LYS A 18 8.647 6.487 6.156 1.00 75.45 C ATOM 267 CD LYS A 18 9.742 5.870 6.991 1.00 64.42 C ATOM 268 CE LYS A 18 9.397 4.457 7.334 1.00 63.25 C ATOM 269 NZ LYS A 18 10.346 3.856 8.295 1.00 22.13 N ATOM 0 H LYS A 18 8.015 7.142 3.519 1.00 22.22 H new ATOM 0 HA LYS A 18 7.065 8.660 5.546 1.00 65.04 H new ATOM 0 HB2 LYS A 18 9.915 7.715 5.024 1.00 64.43 H new ATOM 0 HB3 LYS A 18 9.403 8.403 6.552 1.00 64.43 H new ATOM 0 HG2 LYS A 18 7.731 6.562 6.741 1.00 75.45 H new ATOM 0 HG3 LYS A 18 8.427 5.848 5.301 1.00 75.45 H new ATOM 0 HD2 LYS A 18 10.685 5.899 6.446 1.00 64.42 H new ATOM 0 HD3 LYS A 18 9.883 6.449 7.904 1.00 64.42 H new ATOM 0 HE2 LYS A 18 8.392 4.424 7.754 1.00 63.25 H new ATOM 0 HE3 LYS A 18 9.382 3.859 6.423 1.00 63.25 H new ATOM 0 HZ1 LYS A 18 10.061 2.877 8.498 1.00 22.13 H new ATOM 0 HZ2 LYS A 18 11.303 3.860 7.887 1.00 22.13 H new ATOM 0 HZ3 LYS A 18 10.343 4.408 9.177 1.00 22.13 H new ATOM 283 N THR A 19 9.428 10.238 3.899 1.00 4.01 N ATOM 284 CA THR A 19 10.058 11.490 3.615 1.00 33.41 C ATOM 285 C THR A 19 9.141 12.474 2.841 1.00 31.15 C ATOM 286 O THR A 19 9.118 13.669 3.134 1.00 33.32 O ATOM 287 CB THR A 19 11.352 11.173 2.845 1.00 52.15 C ATOM 288 OG1 THR A 19 12.414 10.830 3.744 1.00 55.41 O ATOM 289 CG2 THR A 19 11.755 12.238 1.863 1.00 35.13 C ATOM 0 H THR A 19 9.776 9.473 3.321 1.00 4.01 H new ATOM 0 HA THR A 19 10.280 12.011 4.547 1.00 33.41 H new ATOM 0 HB THR A 19 11.134 10.299 2.231 1.00 52.15 H new ATOM 0 HG1 THR A 19 13.225 10.631 3.231 1.00 55.41 H new ATOM 0 HG21 THR A 19 12.676 11.940 1.361 1.00 35.13 H new ATOM 0 HG22 THR A 19 10.965 12.369 1.124 1.00 35.13 H new ATOM 0 HG23 THR A 19 11.917 13.178 2.391 1.00 35.13 H new ATOM 297 N ARG A 20 8.403 11.977 1.880 1.00 14.23 N ATOM 298 CA ARG A 20 7.552 12.816 1.044 1.00 5.32 C ATOM 299 C ARG A 20 6.374 13.376 1.787 1.00 45.15 C ATOM 300 O ARG A 20 5.851 14.437 1.444 1.00 34.23 O ATOM 301 CB ARG A 20 7.122 12.046 -0.186 1.00 23.12 C ATOM 302 CG ARG A 20 8.203 11.967 -1.268 1.00 52.35 C ATOM 303 CD ARG A 20 8.327 13.259 -2.091 1.00 2.11 C ATOM 304 NE ARG A 20 8.734 14.450 -1.318 1.00 63.12 N ATOM 305 CZ ARG A 20 8.494 15.719 -1.694 1.00 54.12 C ATOM 306 NH1 ARG A 20 7.932 15.983 -2.876 1.00 72.23 N ATOM 307 NH2 ARG A 20 8.852 16.717 -0.905 1.00 10.42 N ATOM 0 H ARG A 20 8.369 10.984 1.648 1.00 14.23 H new ATOM 0 HA ARG A 20 8.141 13.679 0.734 1.00 5.32 H new ATOM 0 HB2 ARG A 20 6.840 11.035 0.108 1.00 23.12 H new ATOM 0 HB3 ARG A 20 6.233 12.516 -0.606 1.00 23.12 H new ATOM 0 HG2 ARG A 20 9.162 11.748 -0.799 1.00 52.35 H new ATOM 0 HG3 ARG A 20 7.979 11.137 -1.938 1.00 52.35 H new ATOM 0 HD2 ARG A 20 9.051 13.096 -2.889 1.00 2.11 H new ATOM 0 HD3 ARG A 20 7.368 13.463 -2.567 1.00 2.11 H new ATOM 0 HE ARG A 20 9.231 14.300 -0.440 1.00 63.12 H new ATOM 0 HH11 ARG A 20 7.680 15.219 -3.503 1.00 72.23 H new ATOM 0 HH12 ARG A 20 7.754 16.949 -3.152 1.00 72.23 H new ATOM 0 HH21 ARG A 20 9.309 16.524 -0.014 1.00 10.42 H new ATOM 0 HH22 ARG A 20 8.671 17.680 -1.187 1.00 10.42 H new ATOM 321 N PHE A 21 5.970 12.682 2.792 1.00 33.34 N ATOM 322 CA PHE A 21 4.867 13.082 3.604 1.00 32.30 C ATOM 323 C PHE A 21 5.337 13.138 5.032 1.00 14.15 C ATOM 324 O PHE A 21 4.590 12.882 5.967 1.00 25.25 O ATOM 325 CB PHE A 21 3.725 12.091 3.430 1.00 31.05 C ATOM 326 CG PHE A 21 3.287 11.946 1.997 1.00 34.05 C ATOM 327 CD1 PHE A 21 2.369 12.816 1.440 1.00 14.44 C ATOM 328 CD2 PHE A 21 3.792 10.930 1.213 1.00 71.42 C ATOM 329 CE1 PHE A 21 1.966 12.673 0.128 1.00 71.52 C ATOM 330 CE2 PHE A 21 3.401 10.778 -0.082 1.00 22.32 C ATOM 331 CZ PHE A 21 2.484 11.651 -0.635 1.00 1.11 C ATOM 0 H PHE A 21 6.402 11.804 3.081 1.00 33.34 H new ATOM 0 HA PHE A 21 4.499 14.065 3.312 1.00 32.30 H new ATOM 0 HB2 PHE A 21 4.035 11.117 3.810 1.00 31.05 H new ATOM 0 HB3 PHE A 21 2.876 12.413 4.033 1.00 31.05 H new ATOM 0 HD1 PHE A 21 1.962 13.617 2.039 1.00 14.44 H new ATOM 0 HD2 PHE A 21 4.511 10.243 1.634 1.00 71.42 H new ATOM 0 HE1 PHE A 21 1.248 13.359 -0.298 1.00 71.52 H new ATOM 0 HE2 PHE A 21 3.808 9.974 -0.678 1.00 22.32 H new ATOM 0 HZ PHE A 21 2.175 11.532 -1.663 1.00 1.11 H new ATOM 341 N LEU A 22 6.583 13.554 5.183 1.00 22.34 N ATOM 342 CA LEU A 22 7.255 13.634 6.466 1.00 30.13 C ATOM 343 C LEU A 22 6.581 14.695 7.326 1.00 42.52 C ATOM 344 O LEU A 22 6.558 14.619 8.551 1.00 53.51 O ATOM 345 CB LEU A 22 8.740 13.984 6.224 1.00 24.34 C ATOM 346 CG LEU A 22 9.785 13.079 6.835 1.00 53.24 C ATOM 347 CD1 LEU A 22 11.186 13.607 6.577 1.00 70.12 C ATOM 348 CD2 LEU A 22 9.538 12.919 8.276 1.00 62.10 C ATOM 0 H LEU A 22 7.166 13.851 4.401 1.00 22.34 H new ATOM 0 HA LEU A 22 7.194 12.680 6.990 1.00 30.13 H new ATOM 0 HB2 LEU A 22 8.907 14.010 5.147 1.00 24.34 H new ATOM 0 HB3 LEU A 22 8.911 14.994 6.597 1.00 24.34 H new ATOM 0 HG LEU A 22 9.712 12.100 6.361 1.00 53.24 H new ATOM 0 HD11 LEU A 22 11.917 12.936 7.028 1.00 70.12 H new ATOM 0 HD12 LEU A 22 11.361 13.665 5.503 1.00 70.12 H new ATOM 0 HD13 LEU A 22 11.287 14.600 7.015 1.00 70.12 H new ATOM 0 HD21 LEU A 22 10.297 12.265 8.705 1.00 62.10 H new ATOM 0 HD22 LEU A 22 9.581 13.893 8.763 1.00 62.10 H new ATOM 0 HD23 LEU A 22 8.552 12.480 8.430 1.00 62.10 H new ATOM 360 N ASP A 23 6.006 15.648 6.651 1.00 75.51 N ATOM 361 CA ASP A 23 5.291 16.748 7.262 1.00 44.20 C ATOM 362 C ASP A 23 3.869 16.336 7.651 1.00 42.44 C ATOM 363 O ASP A 23 3.211 16.988 8.470 1.00 64.14 O ATOM 364 CB ASP A 23 5.238 17.904 6.265 1.00 70.43 C ATOM 365 CG ASP A 23 4.452 19.083 6.754 1.00 1.52 C ATOM 366 OD1 ASP A 23 4.978 19.865 7.558 1.00 13.40 O ATOM 367 OD2 ASP A 23 3.287 19.264 6.318 1.00 52.13 O ATOM 0 H ASP A 23 6.018 15.689 5.632 1.00 75.51 H new ATOM 0 HA ASP A 23 5.811 17.050 8.171 1.00 44.20 H new ATOM 0 HB2 ASP A 23 6.255 18.225 6.039 1.00 70.43 H new ATOM 0 HB3 ASP A 23 4.801 17.548 5.332 1.00 70.43 H new ATOM 372 N HIS A 24 3.416 15.239 7.109 1.00 12.45 N ATOM 373 CA HIS A 24 2.042 14.806 7.311 1.00 42.04 C ATOM 374 C HIS A 24 1.929 13.321 7.622 1.00 53.32 C ATOM 375 O HIS A 24 1.651 12.499 6.737 1.00 20.13 O ATOM 376 CB HIS A 24 1.147 15.195 6.131 1.00 21.53 C ATOM 377 CG HIS A 24 0.396 16.485 6.304 1.00 12.34 C ATOM 378 ND1 HIS A 24 0.954 17.751 6.249 1.00 72.42 N ATOM 379 CD2 HIS A 24 -0.922 16.675 6.525 1.00 30.14 C ATOM 380 CE1 HIS A 24 -0.023 18.639 6.430 1.00 65.31 C ATOM 381 NE2 HIS A 24 -1.187 18.038 6.602 1.00 52.12 N ATOM 0 H HIS A 24 3.973 14.620 6.520 1.00 12.45 H new ATOM 0 HA HIS A 24 1.684 15.337 8.193 1.00 42.04 H new ATOM 0 HB2 HIS A 24 1.763 15.268 5.235 1.00 21.53 H new ATOM 0 HB3 HIS A 24 0.428 14.394 5.959 1.00 21.53 H new ATOM 0 HD1 HIS A 24 1.939 17.966 6.097 1.00 72.42 H new ATOM 0 HD2 HIS A 24 -1.657 15.890 6.626 1.00 30.14 H new ATOM 0 HE1 HIS A 24 0.118 19.710 6.435 1.00 65.31 H new ATOM 389 N PRO A 25 2.148 12.954 8.895 1.00 54.33 N ATOM 390 CA PRO A 25 2.082 11.564 9.361 1.00 53.43 C ATOM 391 C PRO A 25 0.708 10.926 9.128 1.00 44.23 C ATOM 392 O PRO A 25 0.601 9.699 9.003 1.00 71.20 O ATOM 393 CB PRO A 25 2.364 11.673 10.865 1.00 72.43 C ATOM 394 CG PRO A 25 3.090 12.954 11.019 1.00 34.42 C ATOM 395 CD PRO A 25 2.517 13.868 9.987 1.00 73.03 C ATOM 0 HA PRO A 25 2.786 10.929 8.822 1.00 53.43 H new ATOM 0 HB2 PRO A 25 1.440 11.670 11.443 1.00 72.43 H new ATOM 0 HB3 PRO A 25 2.963 10.833 11.218 1.00 72.43 H new ATOM 0 HG2 PRO A 25 2.957 13.362 12.021 1.00 34.42 H new ATOM 0 HG3 PRO A 25 4.161 12.818 10.870 1.00 34.42 H new ATOM 0 HD2 PRO A 25 1.652 14.412 10.367 1.00 73.03 H new ATOM 0 HD3 PRO A 25 3.243 14.612 9.661 1.00 73.03 H new ATOM 403 N GLU A 26 -0.333 11.756 9.044 1.00 25.33 N ATOM 404 CA GLU A 26 -1.684 11.284 8.832 1.00 71.33 C ATOM 405 C GLU A 26 -1.821 10.585 7.478 1.00 1.11 C ATOM 406 O GLU A 26 -2.544 9.631 7.355 1.00 24.31 O ATOM 407 CB GLU A 26 -2.676 12.434 8.929 1.00 21.41 C ATOM 408 CG GLU A 26 -2.553 13.445 7.813 1.00 31.04 C ATOM 409 CD GLU A 26 -3.527 14.572 7.942 1.00 25.32 C ATOM 410 OE1 GLU A 26 -3.308 15.460 8.779 1.00 51.21 O ATOM 411 OE2 GLU A 26 -4.527 14.598 7.207 1.00 53.44 O ATOM 0 H GLU A 26 -0.254 12.770 9.122 1.00 25.33 H new ATOM 0 HA GLU A 26 -1.907 10.559 9.615 1.00 71.33 H new ATOM 0 HB2 GLU A 26 -3.688 12.029 8.929 1.00 21.41 H new ATOM 0 HB3 GLU A 26 -2.536 12.942 9.883 1.00 21.41 H new ATOM 0 HG2 GLU A 26 -1.540 13.846 7.802 1.00 31.04 H new ATOM 0 HG3 GLU A 26 -2.708 12.945 6.857 1.00 31.04 H new ATOM 418 N ILE A 27 -1.075 11.052 6.492 1.00 72.00 N ATOM 419 CA ILE A 27 -1.113 10.501 5.146 1.00 51.43 C ATOM 420 C ILE A 27 -0.526 9.109 5.148 1.00 71.23 C ATOM 421 O ILE A 27 -1.058 8.186 4.534 1.00 43.12 O ATOM 422 CB ILE A 27 -0.350 11.444 4.189 1.00 63.24 C ATOM 423 CG1 ILE A 27 -1.109 12.783 4.152 1.00 71.34 C ATOM 424 CG2 ILE A 27 -0.170 10.840 2.789 1.00 42.24 C ATOM 425 CD1 ILE A 27 -0.561 13.803 3.201 1.00 53.41 C ATOM 0 H ILE A 27 -0.422 11.828 6.602 1.00 72.00 H new ATOM 0 HA ILE A 27 -2.143 10.424 4.798 1.00 51.43 H new ATOM 0 HB ILE A 27 0.664 11.600 4.558 1.00 63.24 H new ATOM 0 HG12 ILE A 27 -2.148 12.586 3.888 1.00 71.34 H new ATOM 0 HG13 ILE A 27 -1.110 13.209 5.155 1.00 71.34 H new ATOM 0 HG21 ILE A 27 0.372 11.543 2.156 1.00 42.24 H new ATOM 0 HG22 ILE A 27 0.394 9.910 2.864 1.00 42.24 H new ATOM 0 HG23 ILE A 27 -1.148 10.638 2.352 1.00 42.24 H new ATOM 0 HD11 ILE A 27 -1.166 14.709 3.251 1.00 53.41 H new ATOM 0 HD12 ILE A 27 0.468 14.038 3.473 1.00 53.41 H new ATOM 0 HD13 ILE A 27 -0.586 13.405 2.187 1.00 53.41 H new ATOM 437 N TYR A 28 0.522 8.962 5.916 1.00 60.42 N ATOM 438 CA TYR A 28 1.200 7.701 6.095 1.00 4.31 C ATOM 439 C TYR A 28 0.230 6.720 6.761 1.00 63.40 C ATOM 440 O TYR A 28 0.025 5.607 6.293 1.00 61.44 O ATOM 441 CB TYR A 28 2.391 7.930 7.017 1.00 25.01 C ATOM 442 CG TYR A 28 3.393 6.804 7.092 1.00 32.21 C ATOM 443 CD1 TYR A 28 4.459 6.738 6.209 1.00 34.25 C ATOM 444 CD2 TYR A 28 3.284 5.821 8.061 1.00 44.53 C ATOM 445 CE1 TYR A 28 5.383 5.730 6.294 1.00 2.12 C ATOM 446 CE2 TYR A 28 4.206 4.804 8.149 1.00 31.25 C ATOM 447 CZ TYR A 28 5.253 4.762 7.271 1.00 62.03 C ATOM 448 OH TYR A 28 6.196 3.763 7.384 1.00 73.30 O ATOM 0 H TYR A 28 0.937 9.729 6.445 1.00 60.42 H new ATOM 0 HA TYR A 28 1.536 7.300 5.139 1.00 4.31 H new ATOM 0 HB2 TYR A 28 2.910 8.831 6.691 1.00 25.01 H new ATOM 0 HB3 TYR A 28 2.016 8.124 8.022 1.00 25.01 H new ATOM 0 HD1 TYR A 28 4.563 7.492 5.443 1.00 34.25 H new ATOM 0 HD2 TYR A 28 2.461 5.853 8.760 1.00 44.53 H new ATOM 0 HE1 TYR A 28 6.210 5.692 5.600 1.00 2.12 H new ATOM 0 HE2 TYR A 28 4.103 4.043 8.908 1.00 31.25 H new ATOM 0 HH TYR A 28 5.954 3.166 8.123 1.00 73.30 H new ATOM 458 N ARG A 29 -0.399 7.191 7.827 1.00 52.40 N ATOM 459 CA ARG A 29 -1.311 6.389 8.626 1.00 75.33 C ATOM 460 C ARG A 29 -2.596 6.054 7.886 1.00 3.53 C ATOM 461 O ARG A 29 -3.089 4.934 7.955 1.00 34.35 O ATOM 462 CB ARG A 29 -1.617 7.099 9.910 1.00 61.05 C ATOM 463 CG ARG A 29 -0.439 7.157 10.839 1.00 73.10 C ATOM 464 CD ARG A 29 -0.660 8.193 11.881 1.00 2.43 C ATOM 465 NE ARG A 29 0.464 8.296 12.814 1.00 63.34 N ATOM 466 CZ ARG A 29 0.844 9.432 13.418 1.00 62.40 C ATOM 467 NH1 ARG A 29 0.110 10.541 13.287 1.00 2.13 N ATOM 468 NH2 ARG A 29 1.945 9.453 14.167 1.00 2.02 N ATOM 0 H ARG A 29 -0.290 8.148 8.164 1.00 52.40 H new ATOM 0 HA ARG A 29 -0.814 5.442 8.837 1.00 75.33 H new ATOM 0 HB2 ARG A 29 -1.949 8.113 9.689 1.00 61.05 H new ATOM 0 HB3 ARG A 29 -2.444 6.595 10.410 1.00 61.05 H new ATOM 0 HG2 ARG A 29 -0.288 6.185 11.308 1.00 73.10 H new ATOM 0 HG3 ARG A 29 0.467 7.384 10.276 1.00 73.10 H new ATOM 0 HD2 ARG A 29 -0.820 9.159 11.401 1.00 2.43 H new ATOM 0 HD3 ARG A 29 -1.569 7.958 12.436 1.00 2.43 H new ATOM 0 HE ARG A 29 0.993 7.448 13.018 1.00 63.34 H new ATOM 0 HH11 ARG A 29 -0.742 10.525 12.726 1.00 2.13 H new ATOM 0 HH12 ARG A 29 0.402 11.403 13.748 1.00 2.13 H new ATOM 0 HH21 ARG A 29 2.500 8.605 14.282 1.00 2.02 H new ATOM 0 HH22 ARG A 29 2.233 10.317 14.626 1.00 2.02 H new ATOM 482 N SER A 30 -3.119 7.023 7.166 1.00 5.40 N ATOM 483 CA SER A 30 -4.316 6.848 6.383 1.00 30.41 C ATOM 484 C SER A 30 -4.046 5.847 5.261 1.00 34.42 C ATOM 485 O SER A 30 -4.944 5.205 4.749 1.00 71.24 O ATOM 486 CB SER A 30 -4.806 8.195 5.831 1.00 23.23 C ATOM 487 OG SER A 30 -6.131 8.111 5.315 1.00 12.41 O ATOM 0 H SER A 30 -2.720 7.960 7.109 1.00 5.40 H new ATOM 0 HA SER A 30 -5.109 6.453 7.017 1.00 30.41 H new ATOM 0 HB2 SER A 30 -4.772 8.945 6.622 1.00 23.23 H new ATOM 0 HB3 SER A 30 -4.131 8.531 5.044 1.00 23.23 H new ATOM 0 HG SER A 30 -6.646 7.462 5.839 1.00 12.41 H new ATOM 493 N PHE A 31 -2.828 5.779 4.821 1.00 1.10 N ATOM 494 CA PHE A 31 -2.469 4.766 3.891 1.00 50.12 C ATOM 495 C PHE A 31 -2.351 3.396 4.572 1.00 41.52 C ATOM 496 O PHE A 31 -2.799 2.378 4.028 1.00 22.21 O ATOM 497 CB PHE A 31 -1.227 5.150 3.116 1.00 13.11 C ATOM 498 CG PHE A 31 -0.581 3.975 2.468 1.00 23.45 C ATOM 499 CD1 PHE A 31 -1.123 3.412 1.329 1.00 43.22 C ATOM 500 CD2 PHE A 31 0.542 3.405 3.034 1.00 31.21 C ATOM 501 CE1 PHE A 31 -0.554 2.302 0.759 1.00 12.53 C ATOM 502 CE2 PHE A 31 1.128 2.295 2.469 1.00 41.14 C ATOM 503 CZ PHE A 31 0.581 1.741 1.325 1.00 24.32 C ATOM 0 H PHE A 31 -2.074 6.410 5.091 1.00 1.10 H new ATOM 0 HA PHE A 31 -3.273 4.674 3.161 1.00 50.12 H new ATOM 0 HB2 PHE A 31 -1.489 5.884 2.354 1.00 13.11 H new ATOM 0 HB3 PHE A 31 -0.515 5.629 3.788 1.00 13.11 H new ATOM 0 HD1 PHE A 31 -2.004 3.850 0.883 1.00 43.22 H new ATOM 0 HD2 PHE A 31 0.965 3.835 3.930 1.00 31.21 H new ATOM 0 HE1 PHE A 31 -0.989 1.866 -0.128 1.00 12.53 H new ATOM 0 HE2 PHE A 31 2.009 1.859 2.916 1.00 41.14 H new ATOM 0 HZ PHE A 31 1.037 0.873 0.873 1.00 24.32 H new ATOM 513 N LEU A 32 -1.757 3.374 5.750 1.00 63.14 N ATOM 514 CA LEU A 32 -1.616 2.155 6.527 1.00 32.13 C ATOM 515 C LEU A 32 -2.967 1.520 6.807 1.00 33.30 C ATOM 516 O LEU A 32 -3.095 0.299 6.789 1.00 12.02 O ATOM 517 CB LEU A 32 -0.895 2.438 7.834 1.00 71.30 C ATOM 518 CG LEU A 32 0.547 2.911 7.722 1.00 60.44 C ATOM 519 CD1 LEU A 32 1.090 3.188 9.095 1.00 64.21 C ATOM 520 CD2 LEU A 32 1.415 1.882 6.997 1.00 41.21 C ATOM 0 H LEU A 32 -1.358 4.200 6.196 1.00 63.14 H new ATOM 0 HA LEU A 32 -1.025 1.454 5.938 1.00 32.13 H new ATOM 0 HB2 LEU A 32 -1.461 3.193 8.380 1.00 71.30 H new ATOM 0 HB3 LEU A 32 -0.911 1.530 8.437 1.00 71.30 H new ATOM 0 HG LEU A 32 0.568 3.828 7.133 1.00 60.44 H new ATOM 0 HD11 LEU A 32 2.123 3.527 9.016 1.00 64.21 H new ATOM 0 HD12 LEU A 32 0.490 3.961 9.574 1.00 64.21 H new ATOM 0 HD13 LEU A 32 1.052 2.277 9.692 1.00 64.21 H new ATOM 0 HD21 LEU A 32 2.439 2.250 6.933 1.00 41.21 H new ATOM 0 HD22 LEU A 32 1.401 0.941 7.548 1.00 41.21 H new ATOM 0 HD23 LEU A 32 1.025 1.720 5.992 1.00 41.21 H new ATOM 532 N GLU A 33 -3.978 2.351 7.008 1.00 34.11 N ATOM 533 CA GLU A 33 -5.322 1.874 7.271 1.00 44.51 C ATOM 534 C GLU A 33 -5.839 1.051 6.068 1.00 62.44 C ATOM 535 O GLU A 33 -6.587 0.090 6.234 1.00 0.53 O ATOM 536 CB GLU A 33 -6.261 3.052 7.600 1.00 63.12 C ATOM 537 CG GLU A 33 -6.843 3.796 6.402 1.00 42.24 C ATOM 538 CD GLU A 33 -7.742 4.935 6.802 1.00 14.20 C ATOM 539 OE1 GLU A 33 -8.872 4.671 7.257 1.00 22.32 O ATOM 540 OE2 GLU A 33 -7.350 6.123 6.658 1.00 51.42 O ATOM 0 H GLU A 33 -3.889 3.367 6.993 1.00 34.11 H new ATOM 0 HA GLU A 33 -5.303 1.219 8.142 1.00 44.51 H new ATOM 0 HB2 GLU A 33 -7.086 2.676 8.205 1.00 63.12 H new ATOM 0 HB3 GLU A 33 -5.714 3.766 8.216 1.00 63.12 H new ATOM 0 HG2 GLU A 33 -6.028 4.181 5.788 1.00 42.24 H new ATOM 0 HG3 GLU A 33 -7.405 3.096 5.784 1.00 42.24 H new ATOM 547 N ILE A 34 -5.385 1.417 4.873 1.00 61.42 N ATOM 548 CA ILE A 34 -5.736 0.748 3.656 1.00 14.44 C ATOM 549 C ILE A 34 -4.987 -0.553 3.576 1.00 23.24 C ATOM 550 O ILE A 34 -5.555 -1.578 3.271 1.00 14.31 O ATOM 551 CB ILE A 34 -5.341 1.619 2.451 1.00 40.52 C ATOM 552 CG1 ILE A 34 -6.078 2.951 2.508 1.00 44.32 C ATOM 553 CG2 ILE A 34 -5.595 0.887 1.134 1.00 40.15 C ATOM 554 CD1 ILE A 34 -5.581 3.957 1.515 1.00 22.23 C ATOM 0 H ILE A 34 -4.751 2.204 4.737 1.00 61.42 H new ATOM 0 HA ILE A 34 -6.811 0.568 3.642 1.00 14.44 H new ATOM 0 HB ILE A 34 -4.271 1.821 2.500 1.00 40.52 H new ATOM 0 HG12 ILE A 34 -7.140 2.776 2.335 1.00 44.32 H new ATOM 0 HG13 ILE A 34 -5.983 3.366 3.511 1.00 44.32 H new ATOM 0 HG21 ILE A 34 -5.306 1.527 0.300 1.00 40.15 H new ATOM 0 HG22 ILE A 34 -5.006 -0.030 1.108 1.00 40.15 H new ATOM 0 HG23 ILE A 34 -6.654 0.641 1.053 1.00 40.15 H new ATOM 0 HD11 ILE A 34 -6.153 4.880 1.615 1.00 22.23 H new ATOM 0 HD12 ILE A 34 -4.527 4.162 1.701 1.00 22.23 H new ATOM 0 HD13 ILE A 34 -5.702 3.563 0.506 1.00 22.23 H new ATOM 566 N LEU A 35 -3.712 -0.497 3.884 1.00 13.03 N ATOM 567 CA LEU A 35 -2.844 -1.631 3.793 1.00 24.23 C ATOM 568 C LEU A 35 -3.286 -2.721 4.794 1.00 45.12 C ATOM 569 O LEU A 35 -3.321 -3.898 4.460 1.00 73.13 O ATOM 570 CB LEU A 35 -1.415 -1.150 4.035 1.00 71.05 C ATOM 571 CG LEU A 35 -0.275 -1.908 3.345 1.00 70.24 C ATOM 572 CD1 LEU A 35 -0.115 -3.315 3.882 1.00 24.31 C ATOM 573 CD2 LEU A 35 -0.470 -1.934 1.825 1.00 33.43 C ATOM 0 H LEU A 35 -3.250 0.352 4.208 1.00 13.03 H new ATOM 0 HA LEU A 35 -2.893 -2.087 2.804 1.00 24.23 H new ATOM 0 HB2 LEU A 35 -1.357 -0.106 3.726 1.00 71.05 H new ATOM 0 HB3 LEU A 35 -1.231 -1.176 5.109 1.00 71.05 H new ATOM 0 HG LEU A 35 0.644 -1.366 3.570 1.00 70.24 H new ATOM 0 HD11 LEU A 35 0.704 -3.812 3.363 1.00 24.31 H new ATOM 0 HD12 LEU A 35 0.103 -3.275 4.949 1.00 24.31 H new ATOM 0 HD13 LEU A 35 -1.038 -3.873 3.721 1.00 24.31 H new ATOM 0 HD21 LEU A 35 0.353 -2.478 1.362 1.00 33.43 H new ATOM 0 HD22 LEU A 35 -1.411 -2.429 1.587 1.00 33.43 H new ATOM 0 HD23 LEU A 35 -0.491 -0.913 1.443 1.00 33.43 H new ATOM 585 N HIS A 36 -3.660 -2.311 5.996 1.00 34.50 N ATOM 586 CA HIS A 36 -4.186 -3.241 7.008 1.00 55.40 C ATOM 587 C HIS A 36 -5.515 -3.830 6.539 1.00 70.13 C ATOM 588 O HIS A 36 -5.748 -5.033 6.649 1.00 64.32 O ATOM 589 CB HIS A 36 -4.348 -2.547 8.365 1.00 71.45 C ATOM 590 CG HIS A 36 -3.058 -2.273 9.091 1.00 0.35 C ATOM 591 ND1 HIS A 36 -2.921 -2.370 10.453 1.00 51.13 N ATOM 592 CD2 HIS A 36 -1.847 -1.881 8.625 1.00 44.31 C ATOM 593 CE1 HIS A 36 -1.670 -2.048 10.771 1.00 51.21 C ATOM 594 NE2 HIS A 36 -0.972 -1.741 9.692 1.00 45.53 N ATOM 0 H HIS A 36 -3.612 -1.340 6.304 1.00 34.50 H new ATOM 0 HA HIS A 36 -3.469 -4.052 7.135 1.00 55.40 H new ATOM 0 HB2 HIS A 36 -4.872 -1.603 8.214 1.00 71.45 H new ATOM 0 HB3 HIS A 36 -4.982 -3.165 9.000 1.00 71.45 H new ATOM 0 HD2 HIS A 36 -1.602 -1.706 7.588 1.00 44.31 H new ATOM 0 HE1 HIS A 36 -1.277 -2.039 11.777 1.00 51.21 H new ATOM 0 HE2 HIS A 36 0.008 -1.459 9.652 1.00 45.53 H new ATOM 602 N THR A 37 -6.350 -2.969 5.980 1.00 22.13 N ATOM 603 CA THR A 37 -7.614 -3.347 5.370 1.00 20.30 C ATOM 604 C THR A 37 -7.383 -4.388 4.258 1.00 34.24 C ATOM 605 O THR A 37 -8.115 -5.390 4.134 1.00 3.11 O ATOM 606 CB THR A 37 -8.269 -2.054 4.803 1.00 11.14 C ATOM 607 OG1 THR A 37 -8.901 -1.289 5.844 1.00 53.11 O ATOM 608 CG2 THR A 37 -9.192 -2.268 3.622 1.00 2.43 C ATOM 0 H THR A 37 -6.164 -1.967 5.937 1.00 22.13 H new ATOM 0 HA THR A 37 -8.275 -3.805 6.106 1.00 20.30 H new ATOM 0 HB THR A 37 -7.441 -1.474 4.397 1.00 11.14 H new ATOM 0 HG1 THR A 37 -8.259 -0.648 6.215 1.00 53.11 H new ATOM 0 HG21 THR A 37 -9.598 -1.309 3.300 1.00 2.43 H new ATOM 0 HG22 THR A 37 -8.634 -2.720 2.802 1.00 2.43 H new ATOM 0 HG23 THR A 37 -10.008 -2.929 3.913 1.00 2.43 H new ATOM 616 N TYR A 38 -6.338 -4.163 3.515 1.00 21.04 N ATOM 617 CA TYR A 38 -5.967 -4.978 2.415 1.00 52.11 C ATOM 618 C TYR A 38 -5.474 -6.340 2.890 1.00 14.22 C ATOM 619 O TYR A 38 -5.895 -7.383 2.379 1.00 0.01 O ATOM 620 CB TYR A 38 -4.877 -4.274 1.622 1.00 45.34 C ATOM 621 CG TYR A 38 -4.516 -4.980 0.379 1.00 1.13 C ATOM 622 CD1 TYR A 38 -5.234 -4.738 -0.742 1.00 32.21 C ATOM 623 CD2 TYR A 38 -3.465 -5.879 0.325 1.00 74.42 C ATOM 624 CE1 TYR A 38 -4.948 -5.376 -1.932 1.00 45.51 C ATOM 625 CE2 TYR A 38 -3.156 -6.528 -0.844 1.00 43.35 C ATOM 626 CZ TYR A 38 -3.903 -6.279 -1.974 1.00 2.14 C ATOM 627 OH TYR A 38 -3.607 -6.948 -3.143 1.00 22.15 O ATOM 0 H TYR A 38 -5.705 -3.378 3.671 1.00 21.04 H new ATOM 0 HA TYR A 38 -6.839 -5.139 1.781 1.00 52.11 H new ATOM 0 HB2 TYR A 38 -5.209 -3.265 1.376 1.00 45.34 H new ATOM 0 HB3 TYR A 38 -3.989 -4.174 2.246 1.00 45.34 H new ATOM 0 HD1 TYR A 38 -6.049 -4.030 -0.705 1.00 32.21 H new ATOM 0 HD2 TYR A 38 -2.881 -6.072 1.213 1.00 74.42 H new ATOM 0 HE1 TYR A 38 -5.532 -5.172 -2.817 1.00 45.51 H new ATOM 0 HE2 TYR A 38 -2.334 -7.228 -0.878 1.00 43.35 H new ATOM 0 HH TYR A 38 -2.843 -7.543 -2.995 1.00 22.15 H new ATOM 637 N GLN A 39 -4.589 -6.333 3.867 1.00 62.44 N ATOM 638 CA GLN A 39 -4.026 -7.562 4.375 1.00 24.34 C ATOM 639 C GLN A 39 -5.050 -8.397 5.097 1.00 75.20 C ATOM 640 O GLN A 39 -4.938 -9.610 5.144 1.00 74.30 O ATOM 641 CB GLN A 39 -2.790 -7.331 5.231 1.00 54.21 C ATOM 642 CG GLN A 39 -1.632 -6.769 4.438 1.00 54.21 C ATOM 643 CD GLN A 39 -0.347 -6.672 5.224 1.00 1.04 C ATOM 644 OE1 GLN A 39 -0.343 -6.494 6.447 1.00 20.23 O ATOM 645 NE2 GLN A 39 0.753 -6.796 4.536 1.00 55.14 N ATOM 0 H GLN A 39 -4.246 -5.488 4.323 1.00 62.44 H new ATOM 0 HA GLN A 39 -3.701 -8.129 3.502 1.00 24.34 H new ATOM 0 HB2 GLN A 39 -3.037 -6.646 6.042 1.00 54.21 H new ATOM 0 HB3 GLN A 39 -2.489 -8.273 5.690 1.00 54.21 H new ATOM 0 HG2 GLN A 39 -1.465 -7.396 3.562 1.00 54.21 H new ATOM 0 HG3 GLN A 39 -1.900 -5.777 4.074 1.00 54.21 H new ATOM 0 HE21 GLN A 39 0.710 -6.942 3.527 1.00 55.14 H new ATOM 0 HE22 GLN A 39 1.657 -6.747 5.006 1.00 55.14 H new ATOM 654 N LYS A 40 -6.041 -7.760 5.667 1.00 35.45 N ATOM 655 CA LYS A 40 -7.102 -8.463 6.288 1.00 70.22 C ATOM 656 C LYS A 40 -7.961 -9.164 5.240 1.00 0.42 C ATOM 657 O LYS A 40 -8.430 -10.284 5.445 1.00 74.32 O ATOM 658 CB LYS A 40 -7.915 -7.497 7.055 1.00 13.03 C ATOM 659 CG LYS A 40 -8.922 -8.145 7.928 1.00 43.34 C ATOM 660 CD LYS A 40 -9.394 -7.146 8.876 1.00 11.13 C ATOM 661 CE LYS A 40 -10.396 -7.729 9.849 1.00 62.21 C ATOM 662 NZ LYS A 40 -10.949 -6.702 10.746 1.00 1.05 N ATOM 0 H LYS A 40 -6.123 -6.744 5.707 1.00 35.45 H new ATOM 0 HA LYS A 40 -6.700 -9.225 6.956 1.00 70.22 H new ATOM 0 HB2 LYS A 40 -7.255 -6.882 7.667 1.00 13.03 H new ATOM 0 HB3 LYS A 40 -8.423 -6.827 6.361 1.00 13.03 H new ATOM 0 HG2 LYS A 40 -9.751 -8.531 7.335 1.00 43.34 H new ATOM 0 HG3 LYS A 40 -8.484 -8.994 8.453 1.00 43.34 H new ATOM 0 HD2 LYS A 40 -8.547 -6.738 9.427 1.00 11.13 H new ATOM 0 HD3 LYS A 40 -9.851 -6.318 8.335 1.00 11.13 H new ATOM 0 HE2 LYS A 40 -11.207 -8.203 9.295 1.00 62.21 H new ATOM 0 HE3 LYS A 40 -9.916 -8.508 10.441 1.00 62.21 H new ATOM 0 HZ1 LYS A 40 -11.631 -7.141 11.397 1.00 1.05 H new ATOM 0 HZ2 LYS A 40 -10.179 -6.267 11.293 1.00 1.05 H new ATOM 0 HZ3 LYS A 40 -11.429 -5.971 10.183 1.00 1.05 H new ATOM 676 N GLU A 41 -8.103 -8.518 4.088 1.00 61.33 N ATOM 677 CA GLU A 41 -8.909 -9.028 2.996 1.00 62.30 C ATOM 678 C GLU A 41 -8.311 -10.324 2.453 1.00 33.13 C ATOM 679 O GLU A 41 -9.028 -11.267 2.112 1.00 53.33 O ATOM 680 CB GLU A 41 -9.003 -8.000 1.875 1.00 72.52 C ATOM 681 CG GLU A 41 -10.070 -8.325 0.862 1.00 31.42 C ATOM 682 CD GLU A 41 -11.433 -8.315 1.492 1.00 64.45 C ATOM 683 OE1 GLU A 41 -12.032 -7.235 1.605 1.00 1.11 O ATOM 684 OE2 GLU A 41 -11.927 -9.371 1.891 1.00 23.31 O ATOM 0 H GLU A 41 -7.658 -7.622 3.889 1.00 61.33 H new ATOM 0 HA GLU A 41 -9.910 -9.229 3.378 1.00 62.30 H new ATOM 0 HB2 GLU A 41 -9.206 -7.019 2.306 1.00 72.52 H new ATOM 0 HB3 GLU A 41 -8.039 -7.933 1.370 1.00 72.52 H new ATOM 0 HG2 GLU A 41 -10.036 -7.600 0.048 1.00 31.42 H new ATOM 0 HG3 GLU A 41 -9.875 -9.304 0.425 1.00 31.42 H new ATOM 691 N GLN A 42 -6.993 -10.392 2.418 1.00 31.13 N ATOM 692 CA GLN A 42 -6.326 -11.580 1.944 1.00 13.12 C ATOM 693 C GLN A 42 -6.340 -12.736 2.938 1.00 45.22 C ATOM 694 O GLN A 42 -5.795 -13.799 2.681 1.00 14.31 O ATOM 695 CB GLN A 42 -4.973 -11.289 1.394 1.00 43.13 C ATOM 696 CG GLN A 42 -4.008 -10.546 2.255 1.00 53.51 C ATOM 697 CD GLN A 42 -2.857 -10.118 1.393 1.00 45.32 C ATOM 698 OE1 GLN A 42 -2.201 -9.101 1.630 1.00 63.14 O ATOM 699 NE2 GLN A 42 -2.625 -10.889 0.358 1.00 61.52 N ATOM 0 H GLN A 42 -6.370 -9.640 2.712 1.00 31.13 H new ATOM 0 HA GLN A 42 -6.925 -11.937 1.106 1.00 13.12 H new ATOM 0 HB2 GLN A 42 -4.513 -12.239 1.121 1.00 43.13 H new ATOM 0 HB3 GLN A 42 -5.103 -10.721 0.473 1.00 43.13 H new ATOM 0 HG2 GLN A 42 -4.489 -9.679 2.707 1.00 53.51 H new ATOM 0 HG3 GLN A 42 -3.659 -11.179 3.071 1.00 53.51 H new ATOM 0 HE21 GLN A 42 -3.195 -11.721 0.204 1.00 61.52 H new ATOM 0 HE22 GLN A 42 -1.874 -10.657 -0.293 1.00 61.52 H new ATOM 708 N LEU A 43 -6.973 -12.516 4.082 1.00 72.50 N ATOM 709 CA LEU A 43 -7.237 -13.589 5.038 1.00 13.13 C ATOM 710 C LEU A 43 -8.681 -14.053 4.896 1.00 54.23 C ATOM 711 O LEU A 43 -9.113 -15.023 5.525 1.00 10.44 O ATOM 712 CB LEU A 43 -6.918 -13.195 6.499 1.00 32.23 C ATOM 713 CG LEU A 43 -5.473 -13.347 6.983 1.00 32.01 C ATOM 714 CD1 LEU A 43 -5.086 -14.787 6.942 1.00 10.24 C ATOM 715 CD2 LEU A 43 -4.503 -12.520 6.168 1.00 40.43 C ATOM 0 H LEU A 43 -7.316 -11.601 4.374 1.00 72.50 H new ATOM 0 HA LEU A 43 -6.563 -14.412 4.801 1.00 13.13 H new ATOM 0 HB2 LEU A 43 -7.209 -12.153 6.635 1.00 32.23 H new ATOM 0 HB3 LEU A 43 -7.554 -13.792 7.153 1.00 32.23 H new ATOM 0 HG LEU A 43 -5.423 -12.976 8.007 1.00 32.01 H new ATOM 0 HD11 LEU A 43 -4.058 -14.897 7.286 1.00 10.24 H new ATOM 0 HD12 LEU A 43 -5.749 -15.361 7.590 1.00 10.24 H new ATOM 0 HD13 LEU A 43 -5.168 -15.157 5.920 1.00 10.24 H new ATOM 0 HD21 LEU A 43 -3.492 -12.662 6.551 1.00 40.43 H new ATOM 0 HD22 LEU A 43 -4.544 -12.834 5.125 1.00 40.43 H new ATOM 0 HD23 LEU A 43 -4.773 -11.466 6.240 1.00 40.43 H new ATOM 727 N HIS A 44 -9.427 -13.337 4.080 1.00 15.20 N ATOM 728 CA HIS A 44 -10.779 -13.731 3.734 1.00 22.12 C ATOM 729 C HIS A 44 -10.673 -14.518 2.452 1.00 22.40 C ATOM 730 O HIS A 44 -11.238 -15.601 2.312 1.00 32.41 O ATOM 731 CB HIS A 44 -11.699 -12.516 3.498 1.00 1.44 C ATOM 732 CG HIS A 44 -11.794 -11.544 4.639 1.00 1.32 C ATOM 733 ND1 HIS A 44 -11.869 -10.183 4.463 1.00 2.51 N ATOM 734 CD2 HIS A 44 -11.865 -11.751 5.974 1.00 73.12 C ATOM 735 CE1 HIS A 44 -11.979 -9.609 5.659 1.00 45.21 C ATOM 736 NE2 HIS A 44 -11.981 -10.520 6.622 1.00 70.14 N ATOM 0 H HIS A 44 -9.117 -12.471 3.640 1.00 15.20 H new ATOM 0 HA HIS A 44 -11.213 -14.306 4.552 1.00 22.12 H new ATOM 0 HB2 HIS A 44 -11.346 -11.981 2.617 1.00 1.44 H new ATOM 0 HB3 HIS A 44 -12.701 -12.880 3.270 1.00 1.44 H new ATOM 0 HD1 HIS A 44 -11.845 -9.695 3.567 1.00 2.51 H new ATOM 0 HD2 HIS A 44 -11.836 -12.715 6.461 1.00 73.12 H new ATOM 0 HE1 HIS A 44 -12.056 -8.544 5.823 1.00 45.21 H new ATOM 744 N THR A 45 -9.924 -13.957 1.523 1.00 54.42 N ATOM 745 CA THR A 45 -9.619 -14.602 0.283 1.00 1.10 C ATOM 746 C THR A 45 -8.479 -15.563 0.512 1.00 64.45 C ATOM 747 O THR A 45 -7.318 -15.163 0.627 1.00 11.55 O ATOM 748 CB THR A 45 -9.251 -13.568 -0.799 1.00 73.43 C ATOM 749 OG1 THR A 45 -10.317 -12.618 -0.934 1.00 33.50 O ATOM 750 CG2 THR A 45 -8.996 -14.236 -2.141 1.00 41.31 C ATOM 0 H THR A 45 -9.510 -13.030 1.619 1.00 54.42 H new ATOM 0 HA THR A 45 -10.495 -15.145 -0.072 1.00 1.10 H new ATOM 0 HB THR A 45 -8.335 -13.064 -0.490 1.00 73.43 H new ATOM 0 HG1 THR A 45 -10.083 -11.959 -1.621 1.00 33.50 H new ATOM 0 HG21 THR A 45 -8.739 -13.479 -2.881 1.00 41.31 H new ATOM 0 HG22 THR A 45 -8.172 -14.943 -2.045 1.00 41.31 H new ATOM 0 HG23 THR A 45 -9.894 -14.766 -2.460 1.00 41.31 H new ATOM 758 N LYS A 46 -8.819 -16.806 0.618 1.00 74.12 N ATOM 759 CA LYS A 46 -7.865 -17.814 0.946 1.00 4.31 C ATOM 760 C LYS A 46 -8.186 -19.126 0.241 1.00 74.21 C ATOM 761 O LYS A 46 -7.282 -19.817 -0.245 1.00 31.21 O ATOM 762 CB LYS A 46 -7.825 -17.953 2.462 1.00 13.02 C ATOM 763 CG LYS A 46 -9.160 -18.313 3.094 1.00 23.24 C ATOM 764 CD LYS A 46 -9.085 -18.304 4.598 1.00 25.12 C ATOM 765 CE LYS A 46 -10.453 -18.531 5.212 1.00 14.25 C ATOM 766 NZ LYS A 46 -10.999 -19.873 4.926 1.00 72.34 N ATOM 0 H LYS A 46 -9.769 -17.152 0.479 1.00 74.12 H new ATOM 0 HA LYS A 46 -6.874 -17.529 0.594 1.00 4.31 H new ATOM 0 HB2 LYS A 46 -7.094 -18.717 2.726 1.00 13.02 H new ATOM 0 HB3 LYS A 46 -7.474 -17.015 2.892 1.00 13.02 H new ATOM 0 HG2 LYS A 46 -9.921 -17.606 2.763 1.00 23.24 H new ATOM 0 HG3 LYS A 46 -9.471 -19.300 2.751 1.00 23.24 H new ATOM 0 HD2 LYS A 46 -8.398 -19.079 4.936 1.00 25.12 H new ATOM 0 HD3 LYS A 46 -8.683 -17.350 4.940 1.00 25.12 H new ATOM 0 HE2 LYS A 46 -10.388 -18.394 6.291 1.00 14.25 H new ATOM 0 HE3 LYS A 46 -11.144 -17.776 4.836 1.00 14.25 H new ATOM 0 HZ1 LYS A 46 -11.886 -20.007 5.453 1.00 72.34 H new ATOM 0 HZ2 LYS A 46 -11.185 -19.962 3.907 1.00 72.34 H new ATOM 0 HZ3 LYS A 46 -10.311 -20.597 5.217 1.00 72.34 H new ATOM 780 N GLY A 47 -9.459 -19.464 0.165 1.00 52.52 N ATOM 781 CA GLY A 47 -9.852 -20.654 -0.542 1.00 33.01 C ATOM 782 C GLY A 47 -9.808 -20.426 -2.035 1.00 35.21 C ATOM 783 O GLY A 47 -9.154 -21.163 -2.770 1.00 32.53 O ATOM 0 H GLY A 47 -10.226 -18.935 0.581 1.00 52.52 H new ATOM 0 HA2 GLY A 47 -9.190 -21.477 -0.275 1.00 33.01 H new ATOM 0 HA3 GLY A 47 -10.859 -20.945 -0.243 1.00 33.01 H new ATOM 787 N ARG A 48 -10.484 -19.394 -2.463 1.00 33.43 N ATOM 788 CA ARG A 48 -10.559 -18.999 -3.847 1.00 4.41 C ATOM 789 C ARG A 48 -10.756 -17.481 -3.850 1.00 51.10 C ATOM 790 O ARG A 48 -11.190 -16.956 -2.821 1.00 30.43 O ATOM 791 CB ARG A 48 -11.785 -19.683 -4.504 1.00 52.11 C ATOM 792 CG ARG A 48 -11.858 -19.507 -6.000 1.00 22.05 C ATOM 793 CD ARG A 48 -13.131 -20.039 -6.601 1.00 71.45 C ATOM 794 NE ARG A 48 -13.070 -19.930 -8.059 1.00 1.04 N ATOM 795 CZ ARG A 48 -13.929 -19.273 -8.841 1.00 50.02 C ATOM 796 NH1 ARG A 48 -15.045 -18.771 -8.348 1.00 74.21 N ATOM 797 NH2 ARG A 48 -13.676 -19.158 -10.140 1.00 1.31 N ATOM 0 H ARG A 48 -11.015 -18.785 -1.840 1.00 33.43 H new ATOM 0 HA ARG A 48 -9.663 -19.284 -4.399 1.00 4.41 H new ATOM 0 HB2 ARG A 48 -11.760 -20.748 -4.275 1.00 52.11 H new ATOM 0 HB3 ARG A 48 -12.695 -19.282 -4.057 1.00 52.11 H new ATOM 0 HG2 ARG A 48 -11.767 -18.447 -6.239 1.00 22.05 H new ATOM 0 HG3 ARG A 48 -11.009 -20.012 -6.460 1.00 22.05 H new ATOM 0 HD2 ARG A 48 -13.275 -21.080 -6.310 1.00 71.45 H new ATOM 0 HD3 ARG A 48 -13.986 -19.480 -6.220 1.00 71.45 H new ATOM 0 HE ARG A 48 -12.295 -20.403 -8.523 1.00 1.04 H new ATOM 0 HH11 ARG A 48 -15.260 -18.883 -7.357 1.00 74.21 H new ATOM 0 HH12 ARG A 48 -15.692 -18.271 -8.958 1.00 74.21 H new ATOM 0 HH21 ARG A 48 -12.830 -19.570 -10.533 1.00 1.31 H new ATOM 0 HH22 ARG A 48 -14.328 -18.657 -10.744 1.00 1.31 H new ATOM 811 N PRO A 49 -10.357 -16.741 -4.937 1.00 60.13 N ATOM 812 CA PRO A 49 -10.686 -15.312 -5.099 1.00 61.54 C ATOM 813 C PRO A 49 -12.118 -15.016 -4.633 1.00 72.45 C ATOM 814 O PRO A 49 -13.099 -15.584 -5.157 1.00 2.30 O ATOM 815 CB PRO A 49 -10.555 -15.119 -6.604 1.00 44.14 C ATOM 816 CG PRO A 49 -9.432 -16.025 -6.988 1.00 14.24 C ATOM 817 CD PRO A 49 -9.473 -17.202 -6.030 1.00 44.44 C ATOM 0 HA PRO A 49 -10.049 -14.650 -4.513 1.00 61.54 H new ATOM 0 HB2 PRO A 49 -11.477 -15.384 -7.122 1.00 44.14 H new ATOM 0 HB3 PRO A 49 -10.335 -14.082 -6.856 1.00 44.14 H new ATOM 0 HG2 PRO A 49 -9.542 -16.361 -8.019 1.00 14.24 H new ATOM 0 HG3 PRO A 49 -8.476 -15.506 -6.922 1.00 14.24 H new ATOM 0 HD2 PRO A 49 -9.867 -18.096 -6.513 1.00 44.44 H new ATOM 0 HD3 PRO A 49 -8.478 -17.451 -5.661 1.00 44.44 H new ATOM 825 N PHE A 50 -12.223 -14.185 -3.626 1.00 2.14 N ATOM 826 CA PHE A 50 -13.474 -13.911 -2.983 1.00 22.32 C ATOM 827 C PHE A 50 -13.768 -12.420 -3.076 1.00 34.43 C ATOM 828 O PHE A 50 -12.854 -11.620 -3.290 1.00 55.11 O ATOM 829 CB PHE A 50 -13.398 -14.400 -1.524 1.00 1.34 C ATOM 830 CG PHE A 50 -14.698 -14.368 -0.773 1.00 33.41 C ATOM 831 CD1 PHE A 50 -15.764 -15.145 -1.187 1.00 12.52 C ATOM 832 CD2 PHE A 50 -14.855 -13.564 0.342 1.00 51.25 C ATOM 833 CE1 PHE A 50 -16.957 -15.123 -0.508 1.00 52.11 C ATOM 834 CE2 PHE A 50 -16.049 -13.540 1.027 1.00 32.22 C ATOM 835 CZ PHE A 50 -17.101 -14.318 0.603 1.00 31.33 C ATOM 0 H PHE A 50 -11.432 -13.677 -3.229 1.00 2.14 H new ATOM 0 HA PHE A 50 -14.292 -14.439 -3.473 1.00 22.32 H new ATOM 0 HB2 PHE A 50 -13.018 -15.422 -1.519 1.00 1.34 H new ATOM 0 HB3 PHE A 50 -12.672 -13.788 -0.989 1.00 1.34 H new ATOM 0 HD1 PHE A 50 -15.657 -15.777 -2.056 1.00 12.52 H new ATOM 0 HD2 PHE A 50 -14.033 -12.949 0.678 1.00 51.25 H new ATOM 0 HE1 PHE A 50 -17.781 -15.735 -0.843 1.00 52.11 H new ATOM 0 HE2 PHE A 50 -16.160 -12.910 1.897 1.00 32.22 H new ATOM 0 HZ PHE A 50 -18.038 -14.299 1.139 1.00 31.33 H new ATOM 845 N ARG A 51 -15.024 -12.053 -2.926 1.00 65.55 N ATOM 846 CA ARG A 51 -15.436 -10.682 -3.104 1.00 4.44 C ATOM 847 C ARG A 51 -15.065 -9.887 -1.891 1.00 60.44 C ATOM 848 O ARG A 51 -15.427 -10.243 -0.760 1.00 43.31 O ATOM 849 CB ARG A 51 -16.952 -10.522 -3.376 1.00 22.03 C ATOM 850 CG ARG A 51 -17.515 -11.241 -4.611 1.00 1.34 C ATOM 851 CD ARG A 51 -17.515 -12.744 -4.425 1.00 45.54 C ATOM 852 NE ARG A 51 -18.222 -13.457 -5.472 1.00 21.13 N ATOM 853 CZ ARG A 51 -17.761 -14.547 -6.074 1.00 50.01 C ATOM 854 NH1 ARG A 51 -16.454 -14.806 -6.092 1.00 74.32 N ATOM 855 NH2 ARG A 51 -18.590 -15.323 -6.747 1.00 1.51 N ATOM 0 H ARG A 51 -15.780 -12.692 -2.680 1.00 65.55 H new ATOM 0 HA ARG A 51 -14.916 -10.313 -3.988 1.00 4.44 H new ATOM 0 HB2 ARG A 51 -17.494 -10.878 -2.500 1.00 22.03 H new ATOM 0 HB3 ARG A 51 -17.169 -9.458 -3.474 1.00 22.03 H new ATOM 0 HG2 ARG A 51 -18.531 -10.897 -4.802 1.00 1.34 H new ATOM 0 HG3 ARG A 51 -16.921 -10.982 -5.487 1.00 1.34 H new ATOM 0 HD2 ARG A 51 -16.485 -13.097 -4.388 1.00 45.54 H new ATOM 0 HD3 ARG A 51 -17.969 -12.983 -3.463 1.00 45.54 H new ATOM 0 HE ARG A 51 -19.131 -13.098 -5.764 1.00 21.13 H new ATOM 0 HH11 ARG A 51 -15.801 -14.165 -5.641 1.00 74.32 H new ATOM 0 HH12 ARG A 51 -16.107 -15.645 -6.556 1.00 74.32 H new ATOM 0 HH21 ARG A 51 -19.580 -15.084 -6.803 1.00 1.51 H new ATOM 0 HH22 ARG A 51 -18.240 -16.161 -7.211 1.00 1.51 H new ATOM 869 N GLY A 52 -14.370 -8.841 -2.121 1.00 41.20 N ATOM 870 CA GLY A 52 -13.919 -7.994 -1.082 1.00 71.03 C ATOM 871 C GLY A 52 -13.292 -6.812 -1.654 1.00 14.54 C ATOM 872 O GLY A 52 -13.676 -6.378 -2.752 1.00 43.24 O ATOM 0 H GLY A 52 -14.091 -8.541 -3.055 1.00 41.20 H new ATOM 0 HA2 GLY A 52 -14.756 -7.703 -0.447 1.00 71.03 H new ATOM 0 HA3 GLY A 52 -13.208 -8.525 -0.449 1.00 71.03 H new ATOM 876 N MET A 53 -12.357 -6.285 -0.944 1.00 41.43 N ATOM 877 CA MET A 53 -11.584 -5.168 -1.351 1.00 12.53 C ATOM 878 C MET A 53 -10.811 -5.573 -2.593 1.00 74.24 C ATOM 879 O MET A 53 -9.845 -6.333 -2.517 1.00 40.12 O ATOM 880 CB MET A 53 -10.610 -4.852 -0.244 1.00 31.53 C ATOM 881 CG MET A 53 -10.025 -3.473 -0.281 1.00 12.24 C ATOM 882 SD MET A 53 -8.523 -3.397 0.714 1.00 14.14 S ATOM 883 CE MET A 53 -8.088 -1.653 0.653 1.00 1.41 C ATOM 0 H MET A 53 -12.100 -6.638 -0.022 1.00 41.43 H new ATOM 0 HA MET A 53 -12.210 -4.301 -1.559 1.00 12.53 H new ATOM 0 HB2 MET A 53 -11.115 -4.989 0.712 1.00 31.53 H new ATOM 0 HB3 MET A 53 -9.796 -5.576 -0.281 1.00 31.53 H new ATOM 0 HG2 MET A 53 -9.801 -3.194 -1.311 1.00 12.24 H new ATOM 0 HG3 MET A 53 -10.753 -2.753 0.093 1.00 12.24 H new ATOM 0 HE1 MET A 53 -7.718 -1.336 1.628 1.00 1.41 H new ATOM 0 HE2 MET A 53 -7.313 -1.497 -0.098 1.00 1.41 H new ATOM 0 HE3 MET A 53 -8.969 -1.067 0.391 1.00 1.41 H new ATOM 893 N SER A 54 -11.268 -5.138 -3.725 1.00 72.11 N ATOM 894 CA SER A 54 -10.636 -5.503 -4.950 1.00 12.53 C ATOM 895 C SER A 54 -9.425 -4.602 -5.116 1.00 62.33 C ATOM 896 O SER A 54 -9.470 -3.458 -4.688 1.00 51.21 O ATOM 897 CB SER A 54 -11.642 -5.302 -6.060 1.00 21.20 C ATOM 898 OG SER A 54 -12.891 -5.878 -5.670 1.00 32.42 O ATOM 0 H SER A 54 -12.079 -4.528 -3.825 1.00 72.11 H new ATOM 0 HA SER A 54 -10.307 -6.542 -4.966 1.00 12.53 H new ATOM 0 HB2 SER A 54 -11.766 -4.239 -6.267 1.00 21.20 H new ATOM 0 HB3 SER A 54 -11.285 -5.766 -6.980 1.00 21.20 H new ATOM 0 HG SER A 54 -13.548 -5.749 -6.385 1.00 32.42 H new ATOM 904 N GLU A 55 -8.376 -5.082 -5.760 1.00 3.21 N ATOM 905 CA GLU A 55 -7.135 -4.356 -5.861 1.00 40.51 C ATOM 906 C GLU A 55 -7.326 -2.980 -6.521 1.00 44.55 C ATOM 907 O GLU A 55 -6.675 -2.010 -6.159 1.00 14.50 O ATOM 908 CB GLU A 55 -6.146 -5.185 -6.621 1.00 64.24 C ATOM 909 CG GLU A 55 -4.776 -4.631 -6.566 1.00 24.32 C ATOM 910 CD GLU A 55 -3.804 -5.437 -7.355 1.00 33.15 C ATOM 911 OE1 GLU A 55 -3.319 -6.473 -6.850 1.00 13.24 O ATOM 912 OE2 GLU A 55 -3.524 -5.073 -8.519 1.00 44.25 O ATOM 0 H GLU A 55 -8.367 -5.989 -6.227 1.00 3.21 H new ATOM 0 HA GLU A 55 -6.758 -4.167 -4.856 1.00 40.51 H new ATOM 0 HB2 GLU A 55 -6.141 -6.198 -6.218 1.00 64.24 H new ATOM 0 HB3 GLU A 55 -6.463 -5.258 -7.661 1.00 64.24 H new ATOM 0 HG2 GLU A 55 -4.786 -3.608 -6.943 1.00 24.32 H new ATOM 0 HG3 GLU A 55 -4.447 -4.585 -5.528 1.00 24.32 H new ATOM 919 N GLU A 56 -8.249 -2.919 -7.447 1.00 12.34 N ATOM 920 CA GLU A 56 -8.621 -1.694 -8.125 1.00 72.21 C ATOM 921 C GLU A 56 -9.132 -0.633 -7.124 1.00 51.21 C ATOM 922 O GLU A 56 -8.720 0.531 -7.166 1.00 31.14 O ATOM 923 CB GLU A 56 -9.687 -2.017 -9.161 1.00 51.13 C ATOM 924 CG GLU A 56 -10.183 -0.835 -9.956 1.00 14.01 C ATOM 925 CD GLU A 56 -11.145 -1.257 -11.023 1.00 72.50 C ATOM 926 OE1 GLU A 56 -12.346 -1.434 -10.731 1.00 44.20 O ATOM 927 OE2 GLU A 56 -10.711 -1.460 -12.168 1.00 54.42 O ATOM 0 H GLU A 56 -8.776 -3.734 -7.760 1.00 12.34 H new ATOM 0 HA GLU A 56 -7.744 -1.273 -8.617 1.00 72.21 H new ATOM 0 HB2 GLU A 56 -9.287 -2.759 -9.852 1.00 51.13 H new ATOM 0 HB3 GLU A 56 -10.536 -2.478 -8.655 1.00 51.13 H new ATOM 0 HG2 GLU A 56 -10.668 -0.123 -9.288 1.00 14.01 H new ATOM 0 HG3 GLU A 56 -9.337 -0.320 -10.410 1.00 14.01 H new ATOM 934 N GLU A 57 -9.974 -1.052 -6.181 1.00 24.20 N ATOM 935 CA GLU A 57 -10.535 -0.128 -5.215 1.00 51.25 C ATOM 936 C GLU A 57 -9.492 0.153 -4.147 1.00 41.32 C ATOM 937 O GLU A 57 -9.508 1.203 -3.493 1.00 22.41 O ATOM 938 CB GLU A 57 -11.815 -0.679 -4.601 1.00 35.55 C ATOM 939 CG GLU A 57 -11.576 -1.626 -3.480 1.00 2.41 C ATOM 940 CD GLU A 57 -12.827 -2.234 -2.950 1.00 73.15 C ATOM 941 OE1 GLU A 57 -13.310 -3.208 -3.541 1.00 22.41 O ATOM 942 OE2 GLU A 57 -13.365 -1.746 -1.948 1.00 22.34 O ATOM 0 H GLU A 57 -10.277 -2.020 -6.071 1.00 24.20 H new ATOM 0 HA GLU A 57 -10.801 0.802 -5.717 1.00 51.25 H new ATOM 0 HB2 GLU A 57 -12.423 0.151 -4.241 1.00 35.55 H new ATOM 0 HB3 GLU A 57 -12.392 -1.184 -5.376 1.00 35.55 H new ATOM 0 HG2 GLU A 57 -10.909 -2.419 -3.819 1.00 2.41 H new ATOM 0 HG3 GLU A 57 -11.064 -1.102 -2.673 1.00 2.41 H new ATOM 949 N VAL A 58 -8.575 -0.793 -3.988 1.00 52.33 N ATOM 950 CA VAL A 58 -7.482 -0.659 -3.104 1.00 74.01 C ATOM 951 C VAL A 58 -6.620 0.485 -3.579 1.00 51.04 C ATOM 952 O VAL A 58 -6.399 1.464 -2.857 1.00 62.25 O ATOM 953 CB VAL A 58 -6.672 -1.974 -3.045 1.00 61.24 C ATOM 954 CG1 VAL A 58 -5.379 -1.796 -2.322 1.00 42.12 C ATOM 955 CG2 VAL A 58 -7.493 -3.044 -2.388 1.00 61.54 C ATOM 0 H VAL A 58 -8.593 -1.681 -4.490 1.00 52.33 H new ATOM 0 HA VAL A 58 -7.841 -0.449 -2.096 1.00 74.01 H new ATOM 0 HB VAL A 58 -6.435 -2.271 -4.067 1.00 61.24 H new ATOM 0 HG11 VAL A 58 -4.840 -2.743 -2.302 1.00 42.12 H new ATOM 0 HG12 VAL A 58 -4.776 -1.046 -2.834 1.00 42.12 H new ATOM 0 HG13 VAL A 58 -5.575 -1.469 -1.301 1.00 42.12 H new ATOM 0 HG21 VAL A 58 -6.919 -3.970 -2.348 1.00 61.54 H new ATOM 0 HG22 VAL A 58 -7.752 -2.734 -1.376 1.00 61.54 H new ATOM 0 HG23 VAL A 58 -8.405 -3.207 -2.962 1.00 61.54 H new ATOM 965 N PHE A 59 -6.232 0.393 -4.834 1.00 42.45 N ATOM 966 CA PHE A 59 -5.403 1.372 -5.469 1.00 72.54 C ATOM 967 C PHE A 59 -6.084 2.737 -5.515 1.00 15.14 C ATOM 968 O PHE A 59 -5.415 3.743 -5.492 1.00 40.13 O ATOM 969 CB PHE A 59 -4.983 0.895 -6.869 1.00 4.24 C ATOM 970 CG PHE A 59 -4.124 1.879 -7.622 1.00 54.54 C ATOM 971 CD1 PHE A 59 -2.844 2.170 -7.187 1.00 40.01 C ATOM 972 CD2 PHE A 59 -4.610 2.526 -8.745 1.00 63.52 C ATOM 973 CE1 PHE A 59 -2.061 3.083 -7.861 1.00 53.03 C ATOM 974 CE2 PHE A 59 -3.833 3.442 -9.425 1.00 30.54 C ATOM 975 CZ PHE A 59 -2.556 3.721 -8.982 1.00 45.11 C ATOM 0 H PHE A 59 -6.493 -0.381 -5.444 1.00 42.45 H new ATOM 0 HA PHE A 59 -4.499 1.492 -4.872 1.00 72.54 H new ATOM 0 HB2 PHE A 59 -4.441 -0.046 -6.773 1.00 4.24 H new ATOM 0 HB3 PHE A 59 -5.879 0.688 -7.455 1.00 4.24 H new ATOM 0 HD1 PHE A 59 -2.453 1.677 -6.309 1.00 40.01 H new ATOM 0 HD2 PHE A 59 -5.609 2.311 -9.093 1.00 63.52 H new ATOM 0 HE1 PHE A 59 -1.062 3.299 -7.513 1.00 53.03 H new ATOM 0 HE2 PHE A 59 -4.223 3.939 -10.301 1.00 30.54 H new ATOM 0 HZ PHE A 59 -1.945 4.437 -9.511 1.00 45.11 H new ATOM 985 N THR A 60 -7.412 2.759 -5.514 1.00 21.40 N ATOM 986 CA THR A 60 -8.157 3.954 -5.530 1.00 4.51 C ATOM 987 C THR A 60 -7.807 4.856 -4.329 1.00 72.22 C ATOM 988 O THR A 60 -7.388 6.005 -4.516 1.00 44.30 O ATOM 989 CB THR A 60 -9.629 3.586 -5.491 1.00 53.15 C ATOM 990 OG1 THR A 60 -9.990 2.886 -6.691 1.00 64.51 O ATOM 991 CG2 THR A 60 -10.463 4.798 -5.322 1.00 54.54 C ATOM 0 H THR A 60 -7.986 1.916 -5.502 1.00 21.40 H new ATOM 0 HA THR A 60 -7.920 4.515 -6.434 1.00 4.51 H new ATOM 0 HB THR A 60 -9.806 2.932 -4.637 1.00 53.15 H new ATOM 0 HG1 THR A 60 -9.505 2.035 -6.732 1.00 64.51 H new ATOM 0 HG21 THR A 60 -11.515 4.515 -5.296 1.00 54.54 H new ATOM 0 HG22 THR A 60 -10.198 5.295 -4.389 1.00 54.54 H new ATOM 0 HG23 THR A 60 -10.291 5.478 -6.157 1.00 54.54 H new ATOM 999 N GLU A 61 -7.895 4.310 -3.114 1.00 52.00 N ATOM 1000 CA GLU A 61 -7.638 5.104 -1.929 1.00 3.41 C ATOM 1001 C GLU A 61 -6.157 5.434 -1.842 1.00 73.10 C ATOM 1002 O GLU A 61 -5.779 6.462 -1.316 1.00 63.55 O ATOM 1003 CB GLU A 61 -8.061 4.369 -0.657 1.00 21.40 C ATOM 1004 CG GLU A 61 -9.524 4.062 -0.528 1.00 33.14 C ATOM 1005 CD GLU A 61 -9.862 3.468 0.824 1.00 32.11 C ATOM 1006 OE1 GLU A 61 -9.555 2.283 1.061 1.00 55.43 O ATOM 1007 OE2 GLU A 61 -10.451 4.179 1.672 1.00 53.11 O ATOM 0 H GLU A 61 -8.139 3.336 -2.934 1.00 52.00 H new ATOM 0 HA GLU A 61 -8.225 6.019 -2.010 1.00 3.41 H new ATOM 0 HB2 GLU A 61 -7.508 3.432 -0.602 1.00 21.40 H new ATOM 0 HB3 GLU A 61 -7.759 4.968 0.202 1.00 21.40 H new ATOM 0 HG2 GLU A 61 -10.101 4.975 -0.677 1.00 33.14 H new ATOM 0 HG3 GLU A 61 -9.819 3.366 -1.314 1.00 33.14 H new ATOM 1014 N VAL A 62 -5.330 4.549 -2.361 1.00 1.03 N ATOM 1015 CA VAL A 62 -3.884 4.738 -2.349 1.00 23.20 C ATOM 1016 C VAL A 62 -3.473 5.847 -3.342 1.00 34.43 C ATOM 1017 O VAL A 62 -2.690 6.735 -3.007 1.00 13.31 O ATOM 1018 CB VAL A 62 -3.146 3.416 -2.668 1.00 14.13 C ATOM 1019 CG1 VAL A 62 -1.656 3.581 -2.527 1.00 44.42 C ATOM 1020 CG2 VAL A 62 -3.624 2.316 -1.745 1.00 42.12 C ATOM 0 H VAL A 62 -5.634 3.681 -2.802 1.00 1.03 H new ATOM 0 HA VAL A 62 -3.593 5.049 -1.346 1.00 23.20 H new ATOM 0 HB VAL A 62 -3.369 3.147 -3.700 1.00 14.13 H new ATOM 0 HG11 VAL A 62 -1.162 2.637 -2.757 1.00 44.42 H new ATOM 0 HG12 VAL A 62 -1.308 4.350 -3.217 1.00 44.42 H new ATOM 0 HG13 VAL A 62 -1.418 3.876 -1.505 1.00 44.42 H new ATOM 0 HG21 VAL A 62 -3.098 1.391 -1.979 1.00 42.12 H new ATOM 0 HG22 VAL A 62 -3.424 2.596 -0.711 1.00 42.12 H new ATOM 0 HG23 VAL A 62 -4.695 2.168 -1.880 1.00 42.12 H new ATOM 1030 N ALA A 63 -4.050 5.811 -4.534 1.00 33.44 N ATOM 1031 CA ALA A 63 -3.808 6.827 -5.568 1.00 41.21 C ATOM 1032 C ALA A 63 -4.324 8.169 -5.104 1.00 11.10 C ATOM 1033 O ALA A 63 -3.743 9.209 -5.379 1.00 23.11 O ATOM 1034 CB ALA A 63 -4.473 6.427 -6.878 1.00 53.24 C ATOM 0 H ALA A 63 -4.701 5.079 -4.820 1.00 33.44 H new ATOM 0 HA ALA A 63 -2.734 6.902 -5.739 1.00 41.21 H new ATOM 0 HB1 ALA A 63 -4.283 7.192 -7.631 1.00 53.24 H new ATOM 0 HB2 ALA A 63 -4.066 5.475 -7.217 1.00 53.24 H new ATOM 0 HB3 ALA A 63 -5.548 6.328 -6.725 1.00 53.24 H new ATOM 1040 N ASN A 64 -5.416 8.116 -4.401 1.00 50.14 N ATOM 1041 CA ASN A 64 -6.044 9.267 -3.793 1.00 75.05 C ATOM 1042 C ASN A 64 -5.257 9.775 -2.590 1.00 40.04 C ATOM 1043 O ASN A 64 -5.297 10.960 -2.267 1.00 62.53 O ATOM 1044 CB ASN A 64 -7.476 8.918 -3.444 1.00 11.23 C ATOM 1045 CG ASN A 64 -8.120 9.787 -2.400 1.00 52.42 C ATOM 1046 OD1 ASN A 64 -8.621 10.862 -2.692 1.00 45.54 O ATOM 1047 ND2 ASN A 64 -8.163 9.294 -1.189 1.00 44.53 N ATOM 0 H ASN A 64 -5.916 7.245 -4.225 1.00 50.14 H new ATOM 0 HA ASN A 64 -6.050 10.092 -4.505 1.00 75.05 H new ATOM 0 HB2 ASN A 64 -8.075 8.968 -4.353 1.00 11.23 H new ATOM 0 HB3 ASN A 64 -7.506 7.884 -3.099 1.00 11.23 H new ATOM 0 HD21 ASN A 64 -8.629 9.812 -0.444 1.00 44.53 H new ATOM 0 HD22 ASN A 64 -7.731 8.392 -0.990 1.00 44.53 H new ATOM 1054 N LEU A 65 -4.560 8.888 -1.930 1.00 44.42 N ATOM 1055 CA LEU A 65 -3.750 9.257 -0.805 1.00 12.33 C ATOM 1056 C LEU A 65 -2.543 10.035 -1.322 1.00 45.12 C ATOM 1057 O LEU A 65 -2.302 11.181 -0.944 1.00 72.11 O ATOM 1058 CB LEU A 65 -3.233 8.006 -0.109 1.00 1.12 C ATOM 1059 CG LEU A 65 -2.928 8.115 1.383 1.00 44.34 C ATOM 1060 CD1 LEU A 65 -3.105 9.502 1.910 1.00 11.11 C ATOM 1061 CD2 LEU A 65 -3.846 7.261 2.116 1.00 12.31 C ATOM 0 H LEU A 65 -4.539 7.894 -2.158 1.00 44.42 H new ATOM 0 HA LEU A 65 -4.341 9.852 -0.109 1.00 12.33 H new ATOM 0 HB2 LEU A 65 -3.969 7.214 -0.247 1.00 1.12 H new ATOM 0 HB3 LEU A 65 -2.323 7.688 -0.618 1.00 1.12 H new ATOM 0 HG LEU A 65 -1.887 7.820 1.514 1.00 44.34 H new ATOM 0 HD11 LEU A 65 -2.874 9.519 2.975 1.00 11.11 H new ATOM 0 HD12 LEU A 65 -2.434 10.180 1.383 1.00 11.11 H new ATOM 0 HD13 LEU A 65 -4.136 9.821 1.757 1.00 11.11 H new ATOM 0 HD21 LEU A 65 -3.636 7.332 3.183 1.00 12.31 H new ATOM 0 HD22 LEU A 65 -4.871 7.580 1.926 1.00 12.31 H new ATOM 0 HD23 LEU A 65 -3.722 6.228 1.790 1.00 12.31 H new ATOM 1073 N PHE A 66 -1.829 9.412 -2.236 1.00 22.52 N ATOM 1074 CA PHE A 66 -0.605 9.961 -2.782 1.00 51.02 C ATOM 1075 C PHE A 66 -0.878 10.602 -4.135 1.00 43.42 C ATOM 1076 O PHE A 66 -0.131 10.372 -5.096 1.00 50.21 O ATOM 1077 CB PHE A 66 0.428 8.841 -2.973 1.00 64.35 C ATOM 1078 CG PHE A 66 0.653 7.966 -1.764 1.00 55.01 C ATOM 1079 CD1 PHE A 66 0.947 8.518 -0.530 1.00 64.13 C ATOM 1080 CD2 PHE A 66 0.567 6.590 -1.870 1.00 10.11 C ATOM 1081 CE1 PHE A 66 1.150 7.719 0.572 1.00 33.02 C ATOM 1082 CE2 PHE A 66 0.771 5.786 -0.770 1.00 43.23 C ATOM 1083 CZ PHE A 66 1.064 6.351 0.451 1.00 1.14 C ATOM 0 H PHE A 66 -2.083 8.504 -2.624 1.00 22.52 H new ATOM 0 HA PHE A 66 -0.222 10.710 -2.089 1.00 51.02 H new ATOM 0 HB2 PHE A 66 0.109 8.211 -3.804 1.00 64.35 H new ATOM 0 HB3 PHE A 66 1.379 9.290 -3.260 1.00 64.35 H new ATOM 0 HD1 PHE A 66 1.018 9.591 -0.430 1.00 64.13 H new ATOM 0 HD2 PHE A 66 0.338 6.141 -2.825 1.00 10.11 H new ATOM 0 HE1 PHE A 66 1.376 8.165 1.529 1.00 33.02 H new ATOM 0 HE2 PHE A 66 0.701 4.712 -0.865 1.00 43.23 H new ATOM 0 HZ PHE A 66 1.226 5.721 1.313 1.00 1.14 H new ATOM 1093 N ARG A 67 -1.923 11.424 -4.214 1.00 13.02 N ATOM 1094 CA ARG A 67 -2.277 12.068 -5.481 1.00 50.11 C ATOM 1095 C ARG A 67 -1.113 12.918 -5.979 1.00 41.22 C ATOM 1096 O ARG A 67 -0.599 13.776 -5.249 1.00 44.32 O ATOM 1097 CB ARG A 67 -3.505 12.971 -5.375 1.00 32.11 C ATOM 1098 CG ARG A 67 -4.779 12.338 -4.911 1.00 15.20 C ATOM 1099 CD ARG A 67 -5.880 13.377 -4.916 1.00 1.05 C ATOM 1100 NE ARG A 67 -7.170 12.885 -4.438 1.00 12.53 N ATOM 1101 CZ ARG A 67 -8.332 13.533 -4.625 1.00 35.52 C ATOM 1102 NH1 ARG A 67 -8.373 14.625 -5.380 1.00 52.15 N ATOM 1103 NH2 ARG A 67 -9.443 13.068 -4.077 1.00 10.04 N ATOM 0 H ARG A 67 -2.532 11.658 -3.430 1.00 13.02 H new ATOM 0 HA ARG A 67 -2.507 11.259 -6.175 1.00 50.11 H new ATOM 0 HB2 ARG A 67 -3.266 13.788 -4.695 1.00 32.11 H new ATOM 0 HB3 ARG A 67 -3.685 13.414 -6.355 1.00 32.11 H new ATOM 0 HG2 ARG A 67 -5.045 11.506 -5.563 1.00 15.20 H new ATOM 0 HG3 ARG A 67 -4.652 11.929 -3.908 1.00 15.20 H new ATOM 0 HD2 ARG A 67 -5.572 14.219 -4.296 1.00 1.05 H new ATOM 0 HD3 ARG A 67 -6.002 13.756 -5.931 1.00 1.05 H new ATOM 0 HE ARG A 67 -7.190 11.999 -3.933 1.00 12.53 H new ATOM 0 HH11 ARG A 67 -7.521 14.973 -5.819 1.00 52.15 H new ATOM 0 HH12 ARG A 67 -9.256 15.115 -5.520 1.00 52.15 H new ATOM 0 HH21 ARG A 67 -9.417 12.218 -3.513 1.00 10.04 H new ATOM 0 HH22 ARG A 67 -10.326 13.559 -4.218 1.00 10.04 H new ATOM 1117 N GLY A 68 -0.681 12.650 -7.176 1.00 64.53 N ATOM 1118 CA GLY A 68 0.400 13.389 -7.768 1.00 0.22 C ATOM 1119 C GLY A 68 1.684 12.603 -7.746 1.00 14.12 C ATOM 1120 O GLY A 68 2.484 12.668 -8.678 1.00 12.14 O ATOM 0 H GLY A 68 -1.065 11.915 -7.770 1.00 64.53 H new ATOM 0 HA2 GLY A 68 0.147 13.645 -8.797 1.00 0.22 H new ATOM 0 HA3 GLY A 68 0.538 14.327 -7.231 1.00 0.22 H new ATOM 1124 N GLN A 69 1.874 11.823 -6.703 1.00 60.35 N ATOM 1125 CA GLN A 69 3.068 11.046 -6.549 1.00 22.10 C ATOM 1126 C GLN A 69 2.929 9.735 -7.294 1.00 3.44 C ATOM 1127 O GLN A 69 2.760 8.672 -6.695 1.00 14.44 O ATOM 1128 CB GLN A 69 3.338 10.789 -5.078 1.00 52.12 C ATOM 1129 CG GLN A 69 3.340 12.046 -4.229 1.00 22.04 C ATOM 1130 CD GLN A 69 4.391 13.051 -4.649 1.00 53.53 C ATOM 1131 OE1 GLN A 69 5.440 12.690 -5.182 1.00 4.24 O ATOM 1132 NE2 GLN A 69 4.135 14.299 -4.392 1.00 41.13 N ATOM 0 H GLN A 69 1.202 11.715 -5.944 1.00 60.35 H new ATOM 0 HA GLN A 69 3.909 11.601 -6.965 1.00 22.10 H new ATOM 0 HB2 GLN A 69 2.583 10.103 -4.694 1.00 52.12 H new ATOM 0 HB3 GLN A 69 4.302 10.291 -4.976 1.00 52.12 H new ATOM 0 HG2 GLN A 69 2.357 12.514 -4.283 1.00 22.04 H new ATOM 0 HG3 GLN A 69 3.505 11.772 -3.187 1.00 22.04 H new ATOM 0 HE21 GLN A 69 3.254 14.558 -3.949 1.00 41.13 H new ATOM 0 HE22 GLN A 69 4.816 15.019 -4.633 1.00 41.13 H new ATOM 1141 N GLU A 70 2.986 9.821 -8.610 1.00 64.51 N ATOM 1142 CA GLU A 70 2.830 8.667 -9.496 1.00 15.03 C ATOM 1143 C GLU A 70 3.924 7.640 -9.275 1.00 44.10 C ATOM 1144 O GLU A 70 3.769 6.465 -9.623 1.00 34.04 O ATOM 1145 CB GLU A 70 2.813 9.114 -10.942 1.00 24.34 C ATOM 1146 CG GLU A 70 1.715 10.106 -11.238 1.00 11.34 C ATOM 1147 CD GLU A 70 1.667 10.499 -12.679 1.00 22.22 C ATOM 1148 OE1 GLU A 70 2.339 11.490 -13.066 1.00 22.30 O ATOM 1149 OE2 GLU A 70 0.946 9.841 -13.462 1.00 45.44 O ATOM 0 H GLU A 70 3.143 10.699 -9.105 1.00 64.51 H new ATOM 0 HA GLU A 70 1.878 8.193 -9.258 1.00 15.03 H new ATOM 0 HB2 GLU A 70 3.776 9.561 -11.190 1.00 24.34 H new ATOM 0 HB3 GLU A 70 2.691 8.242 -11.585 1.00 24.34 H new ATOM 0 HG2 GLU A 70 0.755 9.676 -10.951 1.00 11.34 H new ATOM 0 HG3 GLU A 70 1.861 10.997 -10.627 1.00 11.34 H new ATOM 1156 N ASP A 71 5.015 8.098 -8.687 1.00 3.31 N ATOM 1157 CA ASP A 71 6.153 7.267 -8.320 1.00 32.14 C ATOM 1158 C ASP A 71 5.681 6.186 -7.397 1.00 14.41 C ATOM 1159 O ASP A 71 5.794 4.995 -7.681 1.00 2.34 O ATOM 1160 CB ASP A 71 7.172 8.090 -7.557 1.00 61.42 C ATOM 1161 CG ASP A 71 7.531 9.389 -8.214 1.00 55.51 C ATOM 1162 OD1 ASP A 71 6.781 10.384 -8.041 1.00 3.03 O ATOM 1163 OD2 ASP A 71 8.557 9.466 -8.893 1.00 1.43 O ATOM 0 H ASP A 71 5.139 9.081 -8.445 1.00 3.31 H new ATOM 0 HA ASP A 71 6.597 6.857 -9.227 1.00 32.14 H new ATOM 0 HB2 ASP A 71 6.783 8.296 -6.560 1.00 61.42 H new ATOM 0 HB3 ASP A 71 8.078 7.498 -7.429 1.00 61.42 H new ATOM 1168 N LEU A 72 5.068 6.628 -6.318 1.00 5.13 N ATOM 1169 CA LEU A 72 4.563 5.767 -5.285 1.00 4.22 C ATOM 1170 C LEU A 72 3.439 4.919 -5.799 1.00 41.14 C ATOM 1171 O LEU A 72 3.323 3.789 -5.442 1.00 64.05 O ATOM 1172 CB LEU A 72 4.085 6.598 -4.095 1.00 70.32 C ATOM 1173 CG LEU A 72 5.163 7.387 -3.361 1.00 11.11 C ATOM 1174 CD1 LEU A 72 4.542 8.266 -2.301 1.00 72.52 C ATOM 1175 CD2 LEU A 72 6.164 6.442 -2.732 1.00 11.14 C ATOM 0 H LEU A 72 4.907 7.619 -6.137 1.00 5.13 H new ATOM 0 HA LEU A 72 5.371 5.111 -4.963 1.00 4.22 H new ATOM 0 HB2 LEU A 72 3.325 7.297 -4.446 1.00 70.32 H new ATOM 0 HB3 LEU A 72 3.600 5.931 -3.382 1.00 70.32 H new ATOM 0 HG LEU A 72 5.680 8.021 -4.081 1.00 11.11 H new ATOM 0 HD11 LEU A 72 5.325 8.823 -1.786 1.00 72.52 H new ATOM 0 HD12 LEU A 72 3.847 8.964 -2.768 1.00 72.52 H new ATOM 0 HD13 LEU A 72 4.005 7.646 -1.583 1.00 72.52 H new ATOM 0 HD21 LEU A 72 6.929 7.017 -2.211 1.00 11.14 H new ATOM 0 HD22 LEU A 72 5.653 5.790 -2.023 1.00 11.14 H new ATOM 0 HD23 LEU A 72 6.631 5.837 -3.509 1.00 11.14 H new ATOM 1187 N LEU A 73 2.667 5.457 -6.698 1.00 71.12 N ATOM 1188 CA LEU A 73 1.497 4.757 -7.195 1.00 0.32 C ATOM 1189 C LEU A 73 1.918 3.596 -8.083 1.00 20.01 C ATOM 1190 O LEU A 73 1.342 2.509 -8.027 1.00 0.04 O ATOM 1191 CB LEU A 73 0.577 5.738 -7.927 1.00 12.51 C ATOM 1192 CG LEU A 73 0.178 6.981 -7.111 1.00 43.42 C ATOM 1193 CD1 LEU A 73 -0.782 7.873 -7.853 1.00 53.31 C ATOM 1194 CD2 LEU A 73 -0.383 6.604 -5.759 1.00 31.35 C ATOM 0 H LEU A 73 2.819 6.379 -7.108 1.00 71.12 H new ATOM 0 HA LEU A 73 0.937 4.339 -6.359 1.00 0.32 H new ATOM 0 HB2 LEU A 73 1.072 6.065 -8.842 1.00 12.51 H new ATOM 0 HB3 LEU A 73 -0.329 5.211 -8.226 1.00 12.51 H new ATOM 0 HG LEU A 73 1.095 7.549 -6.954 1.00 43.42 H new ATOM 0 HD11 LEU A 73 -1.031 8.734 -7.233 1.00 53.31 H new ATOM 0 HD12 LEU A 73 -0.320 8.214 -8.780 1.00 53.31 H new ATOM 0 HD13 LEU A 73 -1.691 7.317 -8.084 1.00 53.31 H new ATOM 0 HD21 LEU A 73 -0.653 7.508 -5.212 1.00 31.35 H new ATOM 0 HD22 LEU A 73 -1.268 5.982 -5.893 1.00 31.35 H new ATOM 0 HD23 LEU A 73 0.367 6.050 -5.195 1.00 31.35 H new ATOM 1206 N SER A 74 2.959 3.813 -8.845 1.00 43.22 N ATOM 1207 CA SER A 74 3.499 2.796 -9.703 1.00 71.31 C ATOM 1208 C SER A 74 4.302 1.777 -8.894 1.00 11.33 C ATOM 1209 O SER A 74 4.164 0.569 -9.093 1.00 65.20 O ATOM 1210 CB SER A 74 4.360 3.442 -10.768 1.00 23.33 C ATOM 1211 OG SER A 74 3.592 4.372 -11.534 1.00 22.25 O ATOM 0 H SER A 74 3.456 4.703 -8.886 1.00 43.22 H new ATOM 0 HA SER A 74 2.681 2.262 -10.186 1.00 71.31 H new ATOM 0 HB2 SER A 74 5.203 3.953 -10.303 1.00 23.33 H new ATOM 0 HB3 SER A 74 4.774 2.676 -11.424 1.00 23.33 H new ATOM 0 HG SER A 74 3.515 5.216 -11.042 1.00 22.25 H new ATOM 1217 N GLU A 75 5.112 2.257 -7.958 1.00 34.22 N ATOM 1218 CA GLU A 75 5.910 1.364 -7.132 1.00 10.05 C ATOM 1219 C GLU A 75 5.048 0.612 -6.112 1.00 32.31 C ATOM 1220 O GLU A 75 5.459 -0.418 -5.594 1.00 43.03 O ATOM 1221 CB GLU A 75 7.099 2.085 -6.480 1.00 62.11 C ATOM 1222 CG GLU A 75 8.133 2.573 -7.496 1.00 70.03 C ATOM 1223 CD GLU A 75 9.368 3.186 -6.863 1.00 4.33 C ATOM 1224 OE1 GLU A 75 10.218 2.420 -6.339 1.00 31.34 O ATOM 1225 OE2 GLU A 75 9.540 4.431 -6.925 1.00 62.40 O ATOM 0 H GLU A 75 5.232 3.249 -7.754 1.00 34.22 H new ATOM 0 HA GLU A 75 6.337 0.612 -7.795 1.00 10.05 H new ATOM 0 HB2 GLU A 75 6.731 2.936 -5.907 1.00 62.11 H new ATOM 0 HB3 GLU A 75 7.583 1.411 -5.773 1.00 62.11 H new ATOM 0 HG2 GLU A 75 8.435 1.735 -8.124 1.00 70.03 H new ATOM 0 HG3 GLU A 75 7.667 3.310 -8.150 1.00 70.03 H new ATOM 1232 N PHE A 76 3.843 1.122 -5.856 1.00 55.42 N ATOM 1233 CA PHE A 76 2.869 0.459 -4.987 1.00 0.44 C ATOM 1234 C PHE A 76 2.432 -0.855 -5.607 1.00 4.14 C ATOM 1235 O PHE A 76 2.274 -1.847 -4.914 1.00 44.23 O ATOM 1236 CB PHE A 76 1.644 1.364 -4.742 1.00 35.13 C ATOM 1237 CG PHE A 76 0.570 0.744 -3.888 1.00 23.22 C ATOM 1238 CD1 PHE A 76 0.789 0.509 -2.544 1.00 34.31 C ATOM 1239 CD2 PHE A 76 -0.647 0.385 -4.438 1.00 14.35 C ATOM 1240 CE1 PHE A 76 -0.183 -0.067 -1.758 1.00 22.35 C ATOM 1241 CE2 PHE A 76 -1.631 -0.199 -3.655 1.00 42.31 C ATOM 1242 CZ PHE A 76 -1.393 -0.424 -2.307 1.00 55.22 C ATOM 0 H PHE A 76 3.514 2.006 -6.245 1.00 55.42 H new ATOM 0 HA PHE A 76 3.344 0.261 -4.026 1.00 0.44 H new ATOM 0 HB2 PHE A 76 1.979 2.287 -4.269 1.00 35.13 H new ATOM 0 HB3 PHE A 76 1.212 1.638 -5.705 1.00 35.13 H new ATOM 0 HD1 PHE A 76 1.737 0.781 -2.104 1.00 34.31 H new ATOM 0 HD2 PHE A 76 -0.833 0.561 -5.487 1.00 14.35 H new ATOM 0 HE1 PHE A 76 0.004 -0.239 -0.708 1.00 22.35 H new ATOM 0 HE2 PHE A 76 -2.578 -0.477 -4.093 1.00 42.31 H new ATOM 0 HZ PHE A 76 -2.155 -0.878 -1.691 1.00 55.22 H new ATOM 1252 N GLY A 77 2.272 -0.854 -6.922 1.00 0.14 N ATOM 1253 CA GLY A 77 1.888 -2.060 -7.618 1.00 35.44 C ATOM 1254 C GLY A 77 2.944 -3.126 -7.467 1.00 42.54 C ATOM 1255 O GLY A 77 2.647 -4.256 -7.143 1.00 30.41 O ATOM 0 H GLY A 77 2.402 -0.037 -7.519 1.00 0.14 H new ATOM 0 HA2 GLY A 77 0.938 -2.425 -7.226 1.00 35.44 H new ATOM 0 HA3 GLY A 77 1.734 -1.842 -8.675 1.00 35.44 H new ATOM 1259 N GLN A 78 4.188 -2.713 -7.617 1.00 54.21 N ATOM 1260 CA GLN A 78 5.358 -3.594 -7.509 1.00 41.41 C ATOM 1261 C GLN A 78 5.529 -4.086 -6.071 1.00 14.43 C ATOM 1262 O GLN A 78 6.084 -5.150 -5.824 1.00 55.12 O ATOM 1263 CB GLN A 78 6.593 -2.814 -7.907 1.00 30.42 C ATOM 1264 CG GLN A 78 6.512 -2.202 -9.284 1.00 42.12 C ATOM 1265 CD GLN A 78 7.637 -1.241 -9.544 1.00 32.42 C ATOM 1266 OE1 GLN A 78 8.748 -1.393 -9.022 1.00 23.20 O ATOM 1267 NE2 GLN A 78 7.365 -0.245 -10.328 1.00 30.24 N ATOM 0 H GLN A 78 4.428 -1.743 -7.821 1.00 54.21 H new ATOM 0 HA GLN A 78 5.216 -4.454 -8.163 1.00 41.41 H new ATOM 0 HB2 GLN A 78 6.761 -2.022 -7.177 1.00 30.42 H new ATOM 0 HB3 GLN A 78 7.458 -3.476 -7.864 1.00 30.42 H new ATOM 0 HG2 GLN A 78 6.532 -2.993 -10.033 1.00 42.12 H new ATOM 0 HG3 GLN A 78 5.560 -1.683 -9.394 1.00 42.12 H new ATOM 0 HE21 GLN A 78 6.435 -0.158 -10.738 1.00 30.24 H new ATOM 0 HE22 GLN A 78 8.081 0.451 -10.535 1.00 30.24 H new ATOM 1276 N PHE A 79 5.056 -3.280 -5.143 1.00 50.32 N ATOM 1277 CA PHE A 79 5.103 -3.561 -3.715 1.00 20.35 C ATOM 1278 C PHE A 79 4.073 -4.644 -3.372 1.00 74.43 C ATOM 1279 O PHE A 79 4.153 -5.309 -2.328 1.00 3.02 O ATOM 1280 CB PHE A 79 4.795 -2.250 -2.957 1.00 10.01 C ATOM 1281 CG PHE A 79 4.930 -2.295 -1.460 1.00 33.40 C ATOM 1282 CD1 PHE A 79 6.158 -2.093 -0.866 1.00 0.35 C ATOM 1283 CD2 PHE A 79 3.825 -2.510 -0.646 1.00 31.14 C ATOM 1284 CE1 PHE A 79 6.291 -2.108 0.502 1.00 3.42 C ATOM 1285 CE2 PHE A 79 3.957 -2.525 0.728 1.00 60.02 C ATOM 1286 CZ PHE A 79 5.198 -2.322 1.300 1.00 24.33 C ATOM 0 H PHE A 79 4.616 -2.387 -5.363 1.00 50.32 H new ATOM 0 HA PHE A 79 6.088 -3.926 -3.424 1.00 20.35 H new ATOM 0 HB2 PHE A 79 5.458 -1.472 -3.336 1.00 10.01 H new ATOM 0 HB3 PHE A 79 3.776 -1.947 -3.199 1.00 10.01 H new ATOM 0 HD1 PHE A 79 7.027 -1.921 -1.484 1.00 0.35 H new ATOM 0 HD2 PHE A 79 2.854 -2.667 -1.092 1.00 31.14 H new ATOM 0 HE1 PHE A 79 7.261 -1.950 0.950 1.00 3.42 H new ATOM 0 HE2 PHE A 79 3.093 -2.695 1.354 1.00 60.02 H new ATOM 0 HZ PHE A 79 5.306 -2.332 2.374 1.00 24.33 H new ATOM 1296 N LEU A 80 3.118 -4.813 -4.249 1.00 62.02 N ATOM 1297 CA LEU A 80 2.048 -5.741 -4.041 1.00 1.34 C ATOM 1298 C LEU A 80 2.263 -7.092 -4.707 1.00 54.51 C ATOM 1299 O LEU A 80 3.049 -7.229 -5.648 1.00 72.30 O ATOM 1300 CB LEU A 80 0.712 -5.154 -4.459 1.00 71.03 C ATOM 1301 CG LEU A 80 -0.131 -4.613 -3.328 1.00 14.24 C ATOM 1302 CD1 LEU A 80 0.429 -3.345 -2.745 1.00 53.42 C ATOM 1303 CD2 LEU A 80 -1.555 -4.480 -3.768 1.00 32.34 C ATOM 0 H LEU A 80 3.065 -4.305 -5.132 1.00 62.02 H new ATOM 0 HA LEU A 80 2.037 -5.925 -2.967 1.00 1.34 H new ATOM 0 HB2 LEU A 80 0.893 -4.351 -5.173 1.00 71.03 H new ATOM 0 HB3 LEU A 80 0.142 -5.923 -4.981 1.00 71.03 H new ATOM 0 HG LEU A 80 -0.104 -5.331 -2.509 1.00 14.24 H new ATOM 0 HD11 LEU A 80 -0.216 -3.000 -1.937 1.00 53.42 H new ATOM 0 HD12 LEU A 80 1.429 -3.534 -2.356 1.00 53.42 H new ATOM 0 HD13 LEU A 80 0.480 -2.580 -3.520 1.00 53.42 H new ATOM 0 HD21 LEU A 80 -2.155 -4.089 -2.946 1.00 32.34 H new ATOM 0 HD22 LEU A 80 -1.612 -3.797 -4.615 1.00 32.34 H new ATOM 0 HD23 LEU A 80 -1.937 -5.457 -4.064 1.00 32.34 H new ATOM 1315 N PRO A 81 1.558 -8.122 -4.203 1.00 73.52 N ATOM 1316 CA PRO A 81 1.629 -9.473 -4.740 1.00 31.44 C ATOM 1317 C PRO A 81 0.926 -9.611 -6.089 1.00 42.32 C ATOM 1318 O PRO A 81 -0.091 -8.932 -6.344 1.00 34.10 O ATOM 1319 CB PRO A 81 0.861 -10.302 -3.699 1.00 53.03 C ATOM 1320 CG PRO A 81 -0.086 -9.332 -3.077 1.00 4.33 C ATOM 1321 CD PRO A 81 0.630 -8.044 -3.042 1.00 65.34 C ATOM 0 HA PRO A 81 2.662 -9.778 -4.907 1.00 31.44 H new ATOM 0 HB2 PRO A 81 0.330 -11.132 -4.165 1.00 53.03 H new ATOM 0 HB3 PRO A 81 1.535 -10.731 -2.957 1.00 53.03 H new ATOM 0 HG2 PRO A 81 -1.005 -9.254 -3.658 1.00 4.33 H new ATOM 0 HG3 PRO A 81 -0.370 -9.650 -2.074 1.00 4.33 H new ATOM 0 HD2 PRO A 81 -0.056 -7.202 -3.134 1.00 65.34 H new ATOM 0 HD3 PRO A 81 1.171 -7.913 -2.105 1.00 65.34 H new ATOM 1329 N GLU A 82 1.490 -10.462 -6.955 1.00 31.54 N ATOM 1330 CA GLU A 82 0.867 -10.873 -8.222 1.00 22.42 C ATOM 1331 C GLU A 82 0.626 -9.654 -9.158 1.00 34.43 C ATOM 1332 O GLU A 82 -0.285 -9.640 -9.985 1.00 61.14 O ATOM 1333 CB GLU A 82 -0.452 -11.616 -7.893 1.00 12.01 C ATOM 1334 CG GLU A 82 -0.996 -12.449 -9.022 1.00 11.33 C ATOM 1335 CD GLU A 82 -0.003 -13.493 -9.458 1.00 34.25 C ATOM 1336 OE1 GLU A 82 0.877 -13.195 -10.287 1.00 23.05 O ATOM 1337 OE2 GLU A 82 -0.070 -14.626 -8.973 1.00 25.42 O ATOM 0 H GLU A 82 2.402 -10.890 -6.795 1.00 31.54 H new ATOM 0 HA GLU A 82 1.535 -11.542 -8.764 1.00 22.42 H new ATOM 0 HB2 GLU A 82 -0.286 -12.260 -7.030 1.00 12.01 H new ATOM 0 HB3 GLU A 82 -1.205 -10.883 -7.603 1.00 12.01 H new ATOM 0 HG2 GLU A 82 -1.921 -12.932 -8.707 1.00 11.33 H new ATOM 0 HG3 GLU A 82 -1.244 -11.805 -9.866 1.00 11.33 H new ATOM 1344 N ALA A 83 1.526 -8.704 -9.080 1.00 32.44 N ATOM 1345 CA ALA A 83 1.410 -7.431 -9.776 1.00 41.43 C ATOM 1346 C ALA A 83 1.459 -7.541 -11.299 1.00 51.24 C ATOM 1347 O ALA A 83 0.893 -6.698 -11.999 1.00 31.34 O ATOM 1348 CB ALA A 83 2.462 -6.473 -9.279 1.00 32.44 C ATOM 0 H ALA A 83 2.377 -8.788 -8.523 1.00 32.44 H new ATOM 0 HA ALA A 83 0.416 -7.049 -9.544 1.00 41.43 H new ATOM 0 HB1 ALA A 83 2.367 -5.523 -9.806 1.00 32.44 H new ATOM 0 HB2 ALA A 83 2.329 -6.310 -8.210 1.00 32.44 H new ATOM 0 HB3 ALA A 83 3.451 -6.892 -9.462 1.00 32.44 H new ATOM 1354 N LYS A 84 2.128 -8.550 -11.826 1.00 31.44 N ATOM 1355 CA LYS A 84 2.218 -8.692 -13.249 1.00 62.42 C ATOM 1356 C LYS A 84 0.981 -9.392 -13.818 1.00 53.21 C ATOM 1357 O LYS A 84 0.726 -9.347 -15.021 1.00 54.32 O ATOM 1358 CB LYS A 84 3.510 -9.428 -13.641 1.00 52.31 C ATOM 1359 CG LYS A 84 3.600 -10.927 -13.300 1.00 2.12 C ATOM 1360 CD LYS A 84 3.498 -11.265 -11.824 1.00 71.05 C ATOM 1361 CE LYS A 84 3.759 -12.745 -11.588 1.00 33.35 C ATOM 1362 NZ LYS A 84 3.549 -13.125 -10.181 1.00 34.02 N ATOM 0 H LYS A 84 2.609 -9.271 -11.288 1.00 31.44 H new ATOM 0 HA LYS A 84 2.254 -7.694 -13.686 1.00 62.42 H new ATOM 0 HB2 LYS A 84 3.648 -9.318 -14.717 1.00 52.31 H new ATOM 0 HB3 LYS A 84 4.346 -8.922 -13.159 1.00 52.31 H new ATOM 0 HG2 LYS A 84 2.806 -11.452 -13.831 1.00 2.12 H new ATOM 0 HG3 LYS A 84 4.546 -11.313 -13.679 1.00 2.12 H new ATOM 0 HD2 LYS A 84 4.216 -10.670 -11.260 1.00 71.05 H new ATOM 0 HD3 LYS A 84 2.507 -11.003 -11.454 1.00 71.05 H new ATOM 0 HE2 LYS A 84 3.100 -13.335 -12.225 1.00 33.35 H new ATOM 0 HE3 LYS A 84 4.782 -12.984 -11.879 1.00 33.35 H new ATOM 0 HZ1 LYS A 84 3.850 -14.110 -10.039 1.00 34.02 H new ATOM 0 HZ2 LYS A 84 4.107 -12.500 -9.565 1.00 34.02 H new ATOM 0 HZ3 LYS A 84 2.541 -13.034 -9.944 1.00 34.02 H new ATOM 1376 N ARG A 85 0.233 -10.042 -12.947 1.00 63.11 N ATOM 1377 CA ARG A 85 -0.953 -10.780 -13.344 1.00 33.14 C ATOM 1378 C ARG A 85 -2.212 -10.041 -12.894 1.00 64.15 C ATOM 1379 O ARG A 85 -2.250 -8.801 -12.889 1.00 31.11 O ATOM 1380 CB ARG A 85 -0.868 -12.202 -12.780 1.00 61.05 C ATOM 1381 CG ARG A 85 -1.894 -13.208 -13.300 1.00 45.04 C ATOM 1382 CD ARG A 85 -3.228 -13.144 -12.587 1.00 73.15 C ATOM 1383 NE ARG A 85 -4.161 -14.137 -13.124 1.00 30.50 N ATOM 1384 CZ ARG A 85 -5.183 -14.686 -12.459 1.00 52.05 C ATOM 1385 NH1 ARG A 85 -5.498 -14.274 -11.228 1.00 32.34 N ATOM 1386 NH2 ARG A 85 -5.910 -15.631 -13.044 1.00 33.14 N ATOM 0 H ARG A 85 0.429 -10.074 -11.946 1.00 63.11 H new ATOM 0 HA ARG A 85 -1.009 -10.854 -14.430 1.00 33.14 H new ATOM 0 HB2 ARG A 85 0.128 -12.592 -12.989 1.00 61.05 H new ATOM 0 HB3 ARG A 85 -0.966 -12.145 -11.696 1.00 61.05 H new ATOM 0 HG2 ARG A 85 -2.053 -13.034 -14.364 1.00 45.04 H new ATOM 0 HG3 ARG A 85 -1.486 -14.214 -13.199 1.00 45.04 H new ATOM 0 HD2 ARG A 85 -3.083 -13.316 -11.521 1.00 73.15 H new ATOM 0 HD3 ARG A 85 -3.653 -12.146 -12.693 1.00 73.15 H new ATOM 0 HE ARG A 85 -4.019 -14.436 -14.089 1.00 30.50 H new ATOM 0 HH11 ARG A 85 -4.957 -13.532 -10.784 1.00 32.34 H new ATOM 0 HH12 ARG A 85 -6.280 -14.701 -10.732 1.00 32.34 H new ATOM 0 HH21 ARG A 85 -5.687 -15.932 -13.993 1.00 33.14 H new ATOM 0 HH22 ARG A 85 -6.691 -16.056 -12.545 1.00 33.14 H new TER 1400 ARG A 85