USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 552 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 55 SER OG : rot -113:sc= 0.324 USER MOD Set 1.2: A 57 THR OG1 : rot 180:sc= 0.308 USER MOD Single : A 2 THR OG1 : rot 24:sc= -0.214 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 46:sc= -2.85! USER MOD Single : A 9 THR OG1 : rot -30:sc= 0.685 USER MOD Single : A 14 ASN : amide:sc= -1.94 K(o=-1.9,f=-4.9!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0786 USER MOD Single : A 26 TYR OH : rot 0:sc= 0.525 USER MOD Single : A 27 GLN : amide:sc= -2.37! C(o=-2.4!,f=-3.2!) USER MOD Single : A 29 MET CE :methyl -162:sc= -2.83! (180deg=-3.14!) USER MOD Single : A 32 THR OG1 : rot -85:sc= 0.556 USER MOD Single : A 33 LYS NZ :NH3+ -169:sc= 0.356 (180deg=0.196) USER MOD Single : A 34 SER OG : rot 56:sc= 0.574 USER MOD Single : A 35 SER OG : rot -33:sc= 1 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -125:sc= 0.0262 (180deg=-2.3!) USER MOD Single : A 45 LYS NZ :NH3+ -177:sc= 1.26 (180deg=1.23) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 56 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.035) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -118:sc= 0.0943 (180deg=-0.0442) USER MOD Single : A 62 SER OG : rot 74:sc= 0.885 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 0:sc= -1.31 USER MOD Single : A 68 GLN : amide:sc= -0.425 X(o=-0.42,f=-0.088) USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 2 -5.684 -2.051 -22.206 1.00 15.01 N ATOM 39 CA THR A 2 -5.788 -1.187 -21.075 1.00 32.33 C ATOM 40 C THR A 2 -6.713 -1.791 -20.030 1.00 13.35 C ATOM 41 O THR A 2 -7.901 -2.006 -20.285 1.00 63.05 O ATOM 42 CB THR A 2 -6.310 0.171 -21.526 1.00 64.42 C ATOM 43 OG1 THR A 2 -5.464 0.627 -22.591 1.00 5.34 O ATOM 44 CG2 THR A 2 -6.276 1.175 -20.387 1.00 14.42 C ATOM 0 HA THR A 2 -4.803 -1.062 -20.625 1.00 32.33 H new ATOM 0 HB THR A 2 -7.345 0.076 -21.855 1.00 64.42 H new ATOM 0 HG1 THR A 2 -5.030 -0.142 -23.016 1.00 5.34 H new ATOM 0 HG21 THR A 2 -6.654 2.135 -20.737 1.00 14.42 H new ATOM 0 HG22 THR A 2 -6.899 0.817 -19.567 1.00 14.42 H new ATOM 0 HG23 THR A 2 -5.250 1.294 -20.038 1.00 14.42 H new ATOM 52 N VAL A 3 -6.168 -2.070 -18.877 1.00 2.20 N ATOM 53 CA VAL A 3 -6.931 -2.646 -17.802 1.00 10.22 C ATOM 54 C VAL A 3 -7.116 -1.590 -16.729 1.00 50.52 C ATOM 55 O VAL A 3 -6.192 -0.812 -16.458 1.00 32.11 O ATOM 56 CB VAL A 3 -6.206 -3.852 -17.169 1.00 13.04 C ATOM 57 CG1 VAL A 3 -7.093 -4.558 -16.198 1.00 45.43 C ATOM 58 CG2 VAL A 3 -5.703 -4.826 -18.197 1.00 40.31 C ATOM 0 H VAL A 3 -5.186 -1.905 -18.656 1.00 2.20 H new ATOM 0 HA VAL A 3 -7.885 -2.988 -18.204 1.00 10.22 H new ATOM 0 HB VAL A 3 -5.341 -3.449 -16.643 1.00 13.04 H new ATOM 0 HG11 VAL A 3 -6.559 -5.404 -15.766 1.00 45.43 H new ATOM 0 HG12 VAL A 3 -7.385 -3.870 -15.405 1.00 45.43 H new ATOM 0 HG13 VAL A 3 -7.984 -4.917 -16.713 1.00 45.43 H new ATOM 0 HG21 VAL A 3 -5.201 -5.655 -17.698 1.00 40.31 H new ATOM 0 HG22 VAL A 3 -6.542 -5.207 -18.779 1.00 40.31 H new ATOM 0 HG23 VAL A 3 -5.000 -4.323 -18.861 1.00 40.31 H new ATOM 68 N TYR A 4 -8.288 -1.538 -16.143 1.00 2.25 N ATOM 69 CA TYR A 4 -8.564 -0.591 -15.105 1.00 74.14 C ATOM 70 C TYR A 4 -8.599 -1.300 -13.749 1.00 51.22 C ATOM 71 O TYR A 4 -9.242 -2.348 -13.597 1.00 62.24 O ATOM 72 CB TYR A 4 -9.883 0.114 -15.411 1.00 61.25 C ATOM 73 CG TYR A 4 -9.874 0.776 -16.778 1.00 65.44 C ATOM 74 CD1 TYR A 4 -9.428 2.075 -16.938 1.00 32.02 C ATOM 75 CD2 TYR A 4 -10.288 0.085 -17.910 1.00 44.44 C ATOM 76 CE1 TYR A 4 -9.393 2.665 -18.182 1.00 22.44 C ATOM 77 CE2 TYR A 4 -10.261 0.670 -19.152 1.00 44.22 C ATOM 78 CZ TYR A 4 -9.812 1.959 -19.284 1.00 12.42 C ATOM 79 OH TYR A 4 -9.763 2.540 -20.527 1.00 61.30 O ATOM 0 H TYR A 4 -9.070 -2.150 -16.375 1.00 2.25 H new ATOM 0 HA TYR A 4 -7.776 0.161 -15.060 1.00 74.14 H new ATOM 0 HB2 TYR A 4 -10.699 -0.608 -15.364 1.00 61.25 H new ATOM 0 HB3 TYR A 4 -10.078 0.866 -14.646 1.00 61.25 H new ATOM 0 HD1 TYR A 4 -9.102 2.636 -16.074 1.00 32.02 H new ATOM 0 HD2 TYR A 4 -10.638 -0.932 -17.811 1.00 44.44 H new ATOM 0 HE1 TYR A 4 -9.037 3.679 -18.291 1.00 22.44 H new ATOM 0 HE2 TYR A 4 -10.591 0.118 -20.020 1.00 44.22 H new ATOM 0 HH TYR A 4 -10.094 1.906 -21.197 1.00 61.30 H new ATOM 89 N ILE A 5 -7.878 -0.754 -12.783 1.00 4.02 N ATOM 90 CA ILE A 5 -7.786 -1.340 -11.447 1.00 64.34 C ATOM 91 C ILE A 5 -8.408 -0.380 -10.430 1.00 74.45 C ATOM 92 O ILE A 5 -7.951 0.750 -10.274 1.00 73.21 O ATOM 93 CB ILE A 5 -6.291 -1.547 -10.946 1.00 31.41 C ATOM 94 CG1 ILE A 5 -5.369 -2.386 -11.857 1.00 45.21 C ATOM 95 CG2 ILE A 5 -6.284 -2.190 -9.563 1.00 51.00 C ATOM 96 CD1 ILE A 5 -5.132 -1.889 -13.273 1.00 1.41 C ATOM 0 H ILE A 5 -7.340 0.105 -12.898 1.00 4.02 H new ATOM 0 HA ILE A 5 -8.291 -2.303 -11.517 1.00 64.34 H new ATOM 0 HB ILE A 5 -5.882 -0.537 -10.948 1.00 31.41 H new ATOM 0 HG12 ILE A 5 -4.400 -2.472 -11.365 1.00 45.21 H new ATOM 0 HG13 ILE A 5 -5.785 -3.392 -11.920 1.00 45.21 H new ATOM 0 HG21 ILE A 5 -5.255 -2.327 -9.231 1.00 51.00 H new ATOM 0 HG22 ILE A 5 -6.810 -1.545 -8.859 1.00 51.00 H new ATOM 0 HG23 ILE A 5 -6.782 -3.158 -9.610 1.00 51.00 H new ATOM 0 HD11 ILE A 5 -4.466 -2.577 -13.794 1.00 1.41 H new ATOM 0 HD12 ILE A 5 -6.083 -1.833 -13.803 1.00 1.41 H new ATOM 0 HD13 ILE A 5 -4.677 -0.899 -13.240 1.00 1.41 H new ATOM 108 N CYS A 6 -9.443 -0.791 -9.788 1.00 1.14 N ATOM 109 CA CYS A 6 -9.952 -0.070 -8.664 1.00 40.33 C ATOM 110 C CYS A 6 -10.100 -1.035 -7.504 1.00 54.05 C ATOM 111 O CYS A 6 -11.108 -1.733 -7.413 1.00 61.34 O ATOM 112 CB CYS A 6 -11.267 0.644 -8.954 1.00 73.15 C ATOM 113 SG CYS A 6 -11.836 1.701 -7.600 1.00 52.21 S ATOM 0 H CYS A 6 -9.965 -1.636 -10.023 1.00 1.14 H new ATOM 0 HA CYS A 6 -9.243 0.719 -8.416 1.00 40.33 H new ATOM 0 HB2 CYS A 6 -11.150 1.251 -9.852 1.00 73.15 H new ATOM 0 HB3 CYS A 6 -12.034 -0.100 -9.169 1.00 73.15 H new ATOM 0 HG CYS A 6 -10.843 2.415 -7.160 1.00 52.21 H new ATOM 119 N PRO A 7 -9.103 -1.132 -6.619 1.00 5.13 N ATOM 120 CA PRO A 7 -9.158 -2.054 -5.464 1.00 4.34 C ATOM 121 C PRO A 7 -10.238 -1.656 -4.453 1.00 72.24 C ATOM 122 O PRO A 7 -10.579 -2.415 -3.559 1.00 43.34 O ATOM 123 CB PRO A 7 -7.762 -1.912 -4.822 1.00 71.42 C ATOM 124 CG PRO A 7 -6.913 -1.258 -5.860 1.00 62.11 C ATOM 125 CD PRO A 7 -7.830 -0.385 -6.658 1.00 12.41 C ATOM 0 HA PRO A 7 -9.405 -3.070 -5.771 1.00 4.34 H new ATOM 0 HB2 PRO A 7 -7.806 -1.310 -3.914 1.00 71.42 H new ATOM 0 HB3 PRO A 7 -7.358 -2.885 -4.540 1.00 71.42 H new ATOM 0 HG2 PRO A 7 -6.118 -0.671 -5.400 1.00 62.11 H new ATOM 0 HG3 PRO A 7 -6.432 -2.002 -6.495 1.00 62.11 H new ATOM 0 HD2 PRO A 7 -7.929 0.607 -6.218 1.00 12.41 H new ATOM 0 HD3 PRO A 7 -7.472 -0.247 -7.678 1.00 12.41 H new ATOM 133 N GLU A 8 -10.777 -0.485 -4.640 1.00 65.41 N ATOM 134 CA GLU A 8 -11.724 0.118 -3.726 1.00 72.45 C ATOM 135 C GLU A 8 -13.134 -0.395 -3.957 1.00 41.44 C ATOM 136 O GLU A 8 -13.825 -0.801 -3.023 1.00 60.42 O ATOM 137 CB GLU A 8 -11.720 1.603 -3.976 1.00 62.34 C ATOM 138 CG GLU A 8 -10.336 2.169 -4.028 1.00 12.32 C ATOM 139 CD GLU A 8 -10.312 3.604 -4.390 1.00 23.45 C ATOM 140 OE1 GLU A 8 -10.362 4.465 -3.487 1.00 11.53 O ATOM 141 OE2 GLU A 8 -10.220 3.917 -5.603 1.00 11.53 O ATOM 0 H GLU A 8 -10.569 0.097 -5.451 1.00 65.41 H new ATOM 0 HA GLU A 8 -11.432 -0.131 -2.706 1.00 72.45 H new ATOM 0 HB2 GLU A 8 -12.231 1.812 -4.916 1.00 62.34 H new ATOM 0 HB3 GLU A 8 -12.285 2.103 -3.189 1.00 62.34 H new ATOM 0 HG2 GLU A 8 -9.858 2.037 -3.057 1.00 12.32 H new ATOM 0 HG3 GLU A 8 -9.746 1.607 -4.752 1.00 12.32 H new ATOM 148 N THR A 9 -13.563 -0.352 -5.195 1.00 42.22 N ATOM 149 CA THR A 9 -14.925 -0.683 -5.519 1.00 52.32 C ATOM 150 C THR A 9 -15.026 -1.666 -6.693 1.00 61.30 C ATOM 151 O THR A 9 -16.132 -2.010 -7.137 1.00 0.02 O ATOM 152 CB THR A 9 -15.732 0.619 -5.786 1.00 12.32 C ATOM 153 OG1 THR A 9 -17.097 0.342 -6.152 1.00 61.33 O ATOM 154 CG2 THR A 9 -15.060 1.472 -6.853 1.00 34.04 C ATOM 0 H THR A 9 -12.986 -0.090 -5.994 1.00 42.22 H new ATOM 0 HA THR A 9 -15.361 -1.197 -4.662 1.00 52.32 H new ATOM 0 HB THR A 9 -15.747 1.179 -4.851 1.00 12.32 H new ATOM 0 HG1 THR A 9 -17.142 -0.519 -6.618 1.00 61.33 H new ATOM 0 HG21 THR A 9 -15.646 2.376 -7.019 1.00 34.04 H new ATOM 0 HG22 THR A 9 -14.058 1.745 -6.523 1.00 34.04 H new ATOM 0 HG23 THR A 9 -14.994 0.907 -7.783 1.00 34.04 H new ATOM 162 N GLY A 10 -13.895 -2.100 -7.206 1.00 73.32 N ATOM 163 CA GLY A 10 -13.922 -3.119 -8.217 1.00 64.05 C ATOM 164 C GLY A 10 -13.574 -4.443 -7.594 1.00 53.23 C ATOM 165 O GLY A 10 -13.753 -4.621 -6.383 1.00 45.44 O ATOM 0 H GLY A 10 -12.967 -1.768 -6.943 1.00 73.32 H new ATOM 0 HA2 GLY A 10 -14.910 -3.168 -8.675 1.00 64.05 H new ATOM 0 HA3 GLY A 10 -13.214 -2.880 -9.011 1.00 64.05 H new ATOM 169 N ASP A 11 -13.049 -5.350 -8.369 1.00 55.53 N ATOM 170 CA ASP A 11 -12.736 -6.681 -7.899 1.00 54.23 C ATOM 171 C ASP A 11 -11.956 -7.424 -8.957 1.00 62.33 C ATOM 172 O ASP A 11 -12.111 -7.164 -10.135 1.00 22.34 O ATOM 173 CB ASP A 11 -14.004 -7.448 -7.539 1.00 51.20 C ATOM 174 CG ASP A 11 -13.695 -8.782 -6.950 1.00 22.41 C ATOM 175 OD1 ASP A 11 -13.374 -8.848 -5.748 1.00 10.03 O ATOM 176 OD2 ASP A 11 -13.753 -9.777 -7.668 1.00 13.53 O ATOM 0 H ASP A 11 -12.823 -5.191 -9.351 1.00 55.53 H new ATOM 0 HA ASP A 11 -12.129 -6.596 -6.997 1.00 54.23 H new ATOM 0 HB2 ASP A 11 -14.593 -6.865 -6.830 1.00 51.20 H new ATOM 0 HB3 ASP A 11 -14.616 -7.578 -8.431 1.00 51.20 H new ATOM 181 N ASP A 12 -11.111 -8.333 -8.541 1.00 40.10 N ATOM 182 CA ASP A 12 -10.248 -9.075 -9.466 1.00 33.23 C ATOM 183 C ASP A 12 -10.994 -10.198 -10.193 1.00 71.11 C ATOM 184 O ASP A 12 -10.404 -10.926 -10.985 1.00 51.40 O ATOM 185 CB ASP A 12 -9.017 -9.628 -8.749 1.00 2.53 C ATOM 186 CG ASP A 12 -9.349 -10.650 -7.690 1.00 3.51 C ATOM 187 OD1 ASP A 12 -9.907 -10.279 -6.654 1.00 22.00 O ATOM 188 OD2 ASP A 12 -9.056 -11.842 -7.890 1.00 4.13 O ATOM 0 H ASP A 12 -10.991 -8.589 -7.561 1.00 40.10 H new ATOM 0 HA ASP A 12 -9.921 -8.362 -10.223 1.00 33.23 H new ATOM 0 HB2 ASP A 12 -8.351 -10.080 -9.483 1.00 2.53 H new ATOM 0 HB3 ASP A 12 -8.472 -8.803 -8.289 1.00 2.53 H new ATOM 193 N GLY A 13 -12.270 -10.341 -9.912 1.00 24.02 N ATOM 194 CA GLY A 13 -13.078 -11.298 -10.630 1.00 43.23 C ATOM 195 C GLY A 13 -13.787 -10.645 -11.797 1.00 60.52 C ATOM 196 O GLY A 13 -14.453 -11.311 -12.590 1.00 61.43 O ATOM 0 H GLY A 13 -12.767 -9.810 -9.196 1.00 24.02 H new ATOM 0 HA2 GLY A 13 -12.449 -12.111 -10.992 1.00 43.23 H new ATOM 0 HA3 GLY A 13 -13.812 -11.738 -9.955 1.00 43.23 H new ATOM 200 N ASN A 14 -13.650 -9.337 -11.884 1.00 5.23 N ATOM 201 CA ASN A 14 -14.237 -8.539 -12.938 1.00 12.51 C ATOM 202 C ASN A 14 -13.502 -8.724 -14.265 1.00 25.12 C ATOM 203 O ASN A 14 -12.514 -9.454 -14.350 1.00 4.13 O ATOM 204 CB ASN A 14 -14.195 -7.073 -12.533 1.00 30.01 C ATOM 205 CG ASN A 14 -15.063 -6.753 -11.331 1.00 12.32 C ATOM 206 OD1 ASN A 14 -15.344 -7.598 -10.490 1.00 34.10 O ATOM 207 ND2 ASN A 14 -15.442 -5.535 -11.212 1.00 53.53 N ATOM 0 H ASN A 14 -13.116 -8.789 -11.209 1.00 5.23 H new ATOM 0 HA ASN A 14 -15.267 -8.866 -13.080 1.00 12.51 H new ATOM 0 HB2 ASN A 14 -13.165 -6.795 -12.312 1.00 30.01 H new ATOM 0 HB3 ASN A 14 -14.516 -6.462 -13.376 1.00 30.01 H new ATOM 0 HD21 ASN A 14 -15.992 -5.249 -10.402 1.00 53.53 H new ATOM 0 HD22 ASN A 14 -15.194 -4.852 -11.927 1.00 53.53 H new ATOM 214 N ASP A 15 -13.983 -8.045 -15.294 1.00 11.05 N ATOM 215 CA ASP A 15 -13.396 -8.139 -16.637 1.00 14.21 C ATOM 216 C ASP A 15 -12.269 -7.131 -16.802 1.00 42.11 C ATOM 217 O ASP A 15 -11.521 -7.156 -17.790 1.00 54.25 O ATOM 218 CB ASP A 15 -14.459 -7.867 -17.705 1.00 61.14 C ATOM 219 CG ASP A 15 -15.646 -8.787 -17.617 1.00 41.12 C ATOM 220 OD1 ASP A 15 -15.608 -9.892 -18.183 1.00 34.22 O ATOM 221 OD2 ASP A 15 -16.649 -8.416 -16.978 1.00 74.12 O ATOM 0 H ASP A 15 -14.784 -7.416 -15.232 1.00 11.05 H new ATOM 0 HA ASP A 15 -13.002 -9.148 -16.758 1.00 14.21 H new ATOM 0 HB2 ASP A 15 -14.801 -6.836 -17.612 1.00 61.14 H new ATOM 0 HB3 ASP A 15 -14.005 -7.965 -18.691 1.00 61.14 H new ATOM 226 N GLY A 16 -12.152 -6.245 -15.837 1.00 12.21 N ATOM 227 CA GLY A 16 -11.148 -5.210 -15.878 1.00 11.31 C ATOM 228 C GLY A 16 -11.505 -4.077 -16.805 1.00 53.21 C ATOM 229 O GLY A 16 -10.621 -3.383 -17.327 1.00 63.11 O ATOM 0 H GLY A 16 -12.747 -6.223 -15.008 1.00 12.21 H new ATOM 0 HA2 GLY A 16 -11.000 -4.816 -14.873 1.00 11.31 H new ATOM 0 HA3 GLY A 16 -10.199 -5.644 -16.193 1.00 11.31 H new ATOM 233 N SER A 17 -12.783 -3.896 -17.016 1.00 41.14 N ATOM 234 CA SER A 17 -13.285 -2.827 -17.835 1.00 14.41 C ATOM 235 C SER A 17 -13.269 -1.546 -16.989 1.00 54.11 C ATOM 236 O SER A 17 -12.950 -1.609 -15.805 1.00 23.34 O ATOM 237 CB SER A 17 -14.712 -3.172 -18.238 1.00 74.22 C ATOM 238 OG SER A 17 -14.777 -4.497 -18.771 1.00 64.31 O ATOM 0 H SER A 17 -13.510 -4.492 -16.620 1.00 41.14 H new ATOM 0 HA SER A 17 -12.681 -2.685 -18.731 1.00 14.41 H new ATOM 0 HB2 SER A 17 -15.370 -3.089 -17.373 1.00 74.22 H new ATOM 0 HB3 SER A 17 -15.069 -2.458 -18.980 1.00 74.22 H new ATOM 0 HG SER A 17 -15.701 -4.703 -19.023 1.00 64.31 H new ATOM 244 N GLU A 18 -13.613 -0.406 -17.561 1.00 14.44 N ATOM 245 CA GLU A 18 -13.621 0.818 -16.794 1.00 31.10 C ATOM 246 C GLU A 18 -14.719 0.767 -15.714 1.00 63.23 C ATOM 247 O GLU A 18 -14.515 1.192 -14.580 1.00 31.22 O ATOM 248 CB GLU A 18 -13.818 2.023 -17.705 1.00 51.04 C ATOM 249 CG GLU A 18 -13.797 3.329 -16.971 1.00 13.51 C ATOM 250 CD GLU A 18 -13.995 4.523 -17.864 1.00 15.52 C ATOM 251 OE1 GLU A 18 -15.163 4.866 -18.175 1.00 45.03 O ATOM 252 OE2 GLU A 18 -12.999 5.150 -18.260 1.00 14.34 O ATOM 0 H GLU A 18 -13.886 -0.306 -18.539 1.00 14.44 H new ATOM 0 HA GLU A 18 -12.655 0.921 -16.300 1.00 31.10 H new ATOM 0 HB2 GLU A 18 -13.036 2.028 -18.464 1.00 51.04 H new ATOM 0 HB3 GLU A 18 -14.769 1.923 -18.228 1.00 51.04 H new ATOM 0 HG2 GLU A 18 -14.577 3.321 -16.210 1.00 13.51 H new ATOM 0 HG3 GLU A 18 -12.845 3.429 -16.450 1.00 13.51 H new ATOM 259 N LEU A 19 -15.873 0.220 -16.079 1.00 35.20 N ATOM 260 CA LEU A 19 -16.971 0.077 -15.142 1.00 41.44 C ATOM 261 C LEU A 19 -16.899 -1.227 -14.365 1.00 31.04 C ATOM 262 O LEU A 19 -17.752 -1.521 -13.531 1.00 61.51 O ATOM 263 CB LEU A 19 -18.304 0.220 -15.834 1.00 51.42 C ATOM 264 CG LEU A 19 -18.583 1.598 -16.417 1.00 22.03 C ATOM 265 CD1 LEU A 19 -19.947 1.620 -16.993 1.00 44.23 C ATOM 266 CD2 LEU A 19 -18.441 2.687 -15.358 1.00 30.32 C ATOM 0 H LEU A 19 -16.068 -0.130 -17.017 1.00 35.20 H new ATOM 0 HA LEU A 19 -16.875 0.887 -14.419 1.00 41.44 H new ATOM 0 HB2 LEU A 19 -18.360 -0.515 -16.637 1.00 51.42 H new ATOM 0 HB3 LEU A 19 -19.093 -0.023 -15.123 1.00 51.42 H new ATOM 0 HG LEU A 19 -17.851 1.799 -17.199 1.00 22.03 H new ATOM 0 HD11 LEU A 19 -20.149 2.606 -17.411 1.00 44.23 H new ATOM 0 HD12 LEU A 19 -20.022 0.870 -17.780 1.00 44.23 H new ATOM 0 HD13 LEU A 19 -20.675 1.401 -16.212 1.00 44.23 H new ATOM 0 HD21 LEU A 19 -18.647 3.659 -15.806 1.00 30.32 H new ATOM 0 HD22 LEU A 19 -19.149 2.503 -14.550 1.00 30.32 H new ATOM 0 HD23 LEU A 19 -17.426 2.678 -14.961 1.00 30.32 H new ATOM 278 N LYS A 20 -15.878 -2.020 -14.643 1.00 13.30 N ATOM 279 CA LYS A 20 -15.632 -3.255 -13.909 1.00 63.23 C ATOM 280 C LYS A 20 -14.153 -3.382 -13.648 1.00 12.23 C ATOM 281 O LYS A 20 -13.506 -4.268 -14.198 1.00 60.31 O ATOM 282 CB LYS A 20 -16.101 -4.506 -14.666 1.00 73.13 C ATOM 283 CG LYS A 20 -17.566 -4.508 -15.061 1.00 4.21 C ATOM 284 CD LYS A 20 -17.957 -5.835 -15.671 1.00 61.42 C ATOM 285 CE LYS A 20 -19.429 -5.877 -16.014 1.00 73.34 C ATOM 286 NZ LYS A 20 -19.836 -7.201 -16.516 1.00 71.44 N ATOM 0 H LYS A 20 -15.198 -1.830 -15.379 1.00 13.30 H new ATOM 0 HA LYS A 20 -16.203 -3.197 -12.982 1.00 63.23 H new ATOM 0 HB2 LYS A 20 -15.498 -4.614 -15.567 1.00 73.13 H new ATOM 0 HB3 LYS A 20 -15.907 -5.381 -14.046 1.00 73.13 H new ATOM 0 HG2 LYS A 20 -18.184 -4.310 -14.185 1.00 4.21 H new ATOM 0 HG3 LYS A 20 -17.756 -3.705 -15.773 1.00 4.21 H new ATOM 0 HD2 LYS A 20 -17.368 -6.010 -16.571 1.00 61.42 H new ATOM 0 HD3 LYS A 20 -17.722 -6.640 -14.975 1.00 61.42 H new ATOM 0 HE2 LYS A 20 -20.016 -5.627 -15.130 1.00 73.34 H new ATOM 0 HE3 LYS A 20 -19.649 -5.120 -16.766 1.00 73.34 H new ATOM 0 HZ1 LYS A 20 -20.851 -7.190 -16.740 1.00 71.44 H new ATOM 0 HZ2 LYS A 20 -19.294 -7.428 -17.374 1.00 71.44 H new ATOM 0 HZ3 LYS A 20 -19.650 -7.920 -15.788 1.00 71.44 H new ATOM 300 N PRO A 21 -13.592 -2.508 -12.835 1.00 23.01 N ATOM 301 CA PRO A 21 -12.177 -2.513 -12.567 1.00 41.13 C ATOM 302 C PRO A 21 -11.768 -3.678 -11.683 1.00 23.21 C ATOM 303 O PRO A 21 -12.557 -4.171 -10.870 1.00 74.33 O ATOM 304 CB PRO A 21 -11.924 -1.184 -11.849 1.00 24.34 C ATOM 305 CG PRO A 21 -13.201 -0.425 -11.925 1.00 15.21 C ATOM 306 CD PRO A 21 -14.276 -1.435 -12.119 1.00 21.11 C ATOM 0 HA PRO A 21 -11.597 -2.623 -13.483 1.00 41.13 H new ATOM 0 HB2 PRO A 21 -11.631 -1.351 -10.813 1.00 24.34 H new ATOM 0 HB3 PRO A 21 -11.114 -0.632 -12.325 1.00 24.34 H new ATOM 0 HG2 PRO A 21 -13.367 0.149 -11.013 1.00 15.21 H new ATOM 0 HG3 PRO A 21 -13.182 0.286 -12.751 1.00 15.21 H new ATOM 0 HD2 PRO A 21 -14.683 -1.779 -11.168 1.00 21.11 H new ATOM 0 HD3 PRO A 21 -15.109 -1.032 -12.695 1.00 21.11 H new ATOM 314 N LEU A 22 -10.555 -4.110 -11.852 1.00 72.43 N ATOM 315 CA LEU A 22 -10.006 -5.195 -11.075 1.00 24.23 C ATOM 316 C LEU A 22 -9.540 -4.669 -9.752 1.00 4.23 C ATOM 317 O LEU A 22 -9.345 -3.479 -9.605 1.00 72.22 O ATOM 318 CB LEU A 22 -8.843 -5.812 -11.815 1.00 2.04 C ATOM 319 CG LEU A 22 -9.168 -6.357 -13.189 1.00 53.20 C ATOM 320 CD1 LEU A 22 -7.931 -6.862 -13.847 1.00 50.53 C ATOM 321 CD2 LEU A 22 -10.213 -7.450 -13.102 1.00 12.14 C ATOM 0 H LEU A 22 -9.908 -3.720 -12.537 1.00 72.43 H new ATOM 0 HA LEU A 22 -10.772 -5.954 -10.916 1.00 24.23 H new ATOM 0 HB2 LEU A 22 -8.058 -5.062 -11.916 1.00 2.04 H new ATOM 0 HB3 LEU A 22 -8.435 -6.621 -11.208 1.00 2.04 H new ATOM 0 HG LEU A 22 -9.578 -5.548 -13.793 1.00 53.20 H new ATOM 0 HD11 LEU A 22 -8.177 -7.252 -14.835 1.00 50.53 H new ATOM 0 HD12 LEU A 22 -7.214 -6.048 -13.947 1.00 50.53 H new ATOM 0 HD13 LEU A 22 -7.496 -7.657 -13.242 1.00 50.53 H new ATOM 0 HD21 LEU A 22 -10.430 -7.826 -14.102 1.00 12.14 H new ATOM 0 HD22 LEU A 22 -9.837 -8.264 -12.482 1.00 12.14 H new ATOM 0 HD23 LEU A 22 -11.124 -7.048 -12.660 1.00 12.14 H new ATOM 333 N ARG A 23 -9.359 -5.527 -8.788 1.00 62.25 N ATOM 334 CA ARG A 23 -8.895 -5.049 -7.511 1.00 52.14 C ATOM 335 C ARG A 23 -7.407 -5.298 -7.355 1.00 23.03 C ATOM 336 O ARG A 23 -6.797 -4.876 -6.380 1.00 24.22 O ATOM 337 CB ARG A 23 -9.666 -5.655 -6.334 1.00 5.10 C ATOM 338 CG ARG A 23 -9.425 -7.127 -6.084 1.00 13.54 C ATOM 339 CD ARG A 23 -10.000 -7.568 -4.741 1.00 35.10 C ATOM 340 NE ARG A 23 -11.441 -7.312 -4.602 1.00 32.22 N ATOM 341 CZ ARG A 23 -11.978 -6.446 -3.727 1.00 54.20 C ATOM 342 NH1 ARG A 23 -11.188 -5.666 -2.978 1.00 2.41 N ATOM 343 NH2 ARG A 23 -13.295 -6.358 -3.612 1.00 31.35 N ATOM 0 H ARG A 23 -9.519 -6.532 -8.854 1.00 62.25 H new ATOM 0 HA ARG A 23 -9.082 -3.975 -7.492 1.00 52.14 H new ATOM 0 HB2 ARG A 23 -9.406 -5.104 -5.430 1.00 5.10 H new ATOM 0 HB3 ARG A 23 -10.732 -5.503 -6.504 1.00 5.10 H new ATOM 0 HG2 ARG A 23 -9.878 -7.712 -6.885 1.00 13.54 H new ATOM 0 HG3 ARG A 23 -8.354 -7.330 -6.107 1.00 13.54 H new ATOM 0 HD2 ARG A 23 -9.815 -8.634 -4.609 1.00 35.10 H new ATOM 0 HD3 ARG A 23 -9.469 -7.051 -3.941 1.00 35.10 H new ATOM 0 HE ARG A 23 -12.076 -7.827 -5.212 1.00 32.22 H new ATOM 0 HH11 ARG A 23 -10.174 -5.728 -3.071 1.00 2.41 H new ATOM 0 HH12 ARG A 23 -11.600 -5.010 -2.315 1.00 2.41 H new ATOM 0 HH21 ARG A 23 -13.898 -6.947 -4.187 1.00 31.35 H new ATOM 0 HH22 ARG A 23 -13.706 -5.701 -2.949 1.00 31.35 H new ATOM 357 N THR A 24 -6.832 -5.990 -8.316 1.00 52.23 N ATOM 358 CA THR A 24 -5.428 -6.291 -8.293 1.00 12.14 C ATOM 359 C THR A 24 -4.796 -5.966 -9.632 1.00 33.42 C ATOM 360 O THR A 24 -5.430 -6.107 -10.691 1.00 14.41 O ATOM 361 CB THR A 24 -5.161 -7.786 -7.956 1.00 12.31 C ATOM 362 OG1 THR A 24 -5.886 -8.637 -8.862 1.00 21.33 O ATOM 363 CG2 THR A 24 -5.539 -8.121 -6.521 1.00 64.24 C ATOM 0 H THR A 24 -7.328 -6.355 -9.129 1.00 52.23 H new ATOM 0 HA THR A 24 -4.982 -5.676 -7.511 1.00 12.14 H new ATOM 0 HB THR A 24 -4.091 -7.959 -8.068 1.00 12.31 H new ATOM 0 HG1 THR A 24 -5.709 -9.575 -8.642 1.00 21.33 H new ATOM 0 HG21 THR A 24 -5.337 -9.174 -6.328 1.00 64.24 H new ATOM 0 HG22 THR A 24 -4.952 -7.507 -5.837 1.00 64.24 H new ATOM 0 HG23 THR A 24 -6.600 -7.921 -6.368 1.00 64.24 H new ATOM 371 N LEU A 25 -3.562 -5.533 -9.583 1.00 64.33 N ATOM 372 CA LEU A 25 -2.787 -5.257 -10.770 1.00 3.41 C ATOM 373 C LEU A 25 -2.294 -6.596 -11.326 1.00 62.10 C ATOM 374 O LEU A 25 -1.987 -6.738 -12.514 1.00 33.42 O ATOM 375 CB LEU A 25 -1.624 -4.335 -10.395 1.00 54.25 C ATOM 376 CG LEU A 25 -0.719 -3.844 -11.522 1.00 21.21 C ATOM 377 CD1 LEU A 25 -1.527 -3.127 -12.590 1.00 62.01 C ATOM 378 CD2 LEU A 25 0.329 -2.912 -10.948 1.00 35.31 C ATOM 0 H LEU A 25 -3.061 -5.360 -8.712 1.00 64.33 H new ATOM 0 HA LEU A 25 -3.379 -4.754 -11.534 1.00 3.41 H new ATOM 0 HB2 LEU A 25 -2.037 -3.461 -9.891 1.00 54.25 H new ATOM 0 HB3 LEU A 25 -1.002 -4.858 -9.668 1.00 54.25 H new ATOM 0 HG LEU A 25 -0.233 -4.702 -11.986 1.00 21.21 H new ATOM 0 HD11 LEU A 25 -0.861 -2.786 -13.383 1.00 62.01 H new ATOM 0 HD12 LEU A 25 -2.267 -3.810 -13.007 1.00 62.01 H new ATOM 0 HD13 LEU A 25 -2.034 -2.269 -12.148 1.00 62.01 H new ATOM 0 HD21 LEU A 25 0.979 -2.558 -11.748 1.00 35.31 H new ATOM 0 HD22 LEU A 25 -0.161 -2.061 -10.475 1.00 35.31 H new ATOM 0 HD23 LEU A 25 0.924 -3.446 -10.207 1.00 35.31 H new ATOM 390 N TYR A 26 -2.248 -7.571 -10.433 1.00 34.24 N ATOM 391 CA TYR A 26 -1.929 -8.942 -10.738 1.00 31.24 C ATOM 392 C TYR A 26 -2.918 -9.513 -11.764 1.00 25.02 C ATOM 393 O TYR A 26 -2.506 -10.072 -12.780 1.00 21.35 O ATOM 394 CB TYR A 26 -1.951 -9.756 -9.435 1.00 62.32 C ATOM 395 CG TYR A 26 -1.710 -11.232 -9.600 1.00 50.31 C ATOM 396 CD1 TYR A 26 -0.450 -11.719 -9.866 1.00 20.14 C ATOM 397 CD2 TYR A 26 -2.747 -12.142 -9.479 1.00 13.40 C ATOM 398 CE1 TYR A 26 -0.233 -13.057 -10.014 1.00 51.21 C ATOM 399 CE2 TYR A 26 -2.527 -13.489 -9.623 1.00 70.55 C ATOM 400 CZ TYR A 26 -1.265 -13.937 -9.890 1.00 10.33 C ATOM 401 OH TYR A 26 -1.029 -15.278 -10.042 1.00 41.43 O ATOM 0 H TYR A 26 -2.440 -7.416 -9.443 1.00 34.24 H new ATOM 0 HA TYR A 26 -0.934 -8.999 -11.180 1.00 31.24 H new ATOM 0 HB2 TYR A 26 -1.195 -9.353 -8.761 1.00 62.32 H new ATOM 0 HB3 TYR A 26 -2.918 -9.613 -8.952 1.00 62.32 H new ATOM 0 HD1 TYR A 26 0.378 -11.032 -9.959 1.00 20.14 H new ATOM 0 HD2 TYR A 26 -3.745 -11.786 -9.268 1.00 13.40 H new ATOM 0 HE1 TYR A 26 0.761 -13.420 -10.230 1.00 51.21 H new ATOM 0 HE2 TYR A 26 -3.344 -14.188 -9.526 1.00 70.55 H new ATOM 0 HH TYR A 26 -0.079 -15.423 -10.234 1.00 41.43 H new ATOM 411 N GLN A 27 -4.228 -9.343 -11.509 1.00 61.53 N ATOM 412 CA GLN A 27 -5.258 -9.835 -12.436 1.00 4.42 C ATOM 413 C GLN A 27 -5.158 -9.111 -13.781 1.00 63.43 C ATOM 414 O GLN A 27 -5.428 -9.695 -14.829 1.00 44.31 O ATOM 415 CB GLN A 27 -6.671 -9.705 -11.822 1.00 44.31 C ATOM 416 CG GLN A 27 -7.838 -10.144 -12.731 1.00 63.10 C ATOM 417 CD GLN A 27 -7.779 -11.593 -13.172 1.00 33.42 C ATOM 418 OE1 GLN A 27 -7.263 -12.451 -12.470 1.00 43.44 O ATOM 419 NE2 GLN A 27 -8.318 -11.867 -14.333 1.00 71.35 N ATOM 0 H GLN A 27 -4.593 -8.875 -10.680 1.00 61.53 H new ATOM 0 HA GLN A 27 -5.082 -10.896 -12.613 1.00 4.42 H new ATOM 0 HB2 GLN A 27 -6.705 -10.296 -10.907 1.00 44.31 H new ATOM 0 HB3 GLN A 27 -6.829 -8.665 -11.536 1.00 44.31 H new ATOM 0 HG2 GLN A 27 -8.777 -9.976 -12.203 1.00 63.10 H new ATOM 0 HG3 GLN A 27 -7.852 -9.508 -13.616 1.00 63.10 H new ATOM 0 HE21 GLN A 27 -8.739 -11.122 -14.889 1.00 71.35 H new ATOM 0 HE22 GLN A 27 -8.317 -12.825 -14.682 1.00 71.35 H new ATOM 428 N ALA A 28 -4.731 -7.847 -13.742 1.00 23.52 N ATOM 429 CA ALA A 28 -4.538 -7.063 -14.939 1.00 21.52 C ATOM 430 C ALA A 28 -3.501 -7.723 -15.838 1.00 32.01 C ATOM 431 O ALA A 28 -3.681 -7.816 -17.057 1.00 62.31 O ATOM 432 CB ALA A 28 -4.146 -5.635 -14.581 1.00 51.22 C ATOM 0 H ALA A 28 -4.513 -7.350 -12.878 1.00 23.52 H new ATOM 0 HA ALA A 28 -5.476 -7.017 -15.492 1.00 21.52 H new ATOM 0 HB1 ALA A 28 -4.004 -5.057 -15.494 1.00 51.22 H new ATOM 0 HB2 ALA A 28 -4.935 -5.180 -13.982 1.00 51.22 H new ATOM 0 HB3 ALA A 28 -3.218 -5.645 -14.010 1.00 51.22 H new ATOM 438 N MET A 29 -2.425 -8.198 -15.238 1.00 62.42 N ATOM 439 CA MET A 29 -1.435 -8.927 -15.966 1.00 10.11 C ATOM 440 C MET A 29 -1.898 -10.305 -16.380 1.00 73.12 C ATOM 441 O MET A 29 -1.493 -10.789 -17.426 1.00 25.54 O ATOM 442 CB MET A 29 -0.093 -8.967 -15.269 1.00 53.34 C ATOM 443 CG MET A 29 0.727 -7.706 -15.440 1.00 74.45 C ATOM 444 SD MET A 29 2.386 -7.893 -14.827 1.00 65.34 S ATOM 445 CE MET A 29 3.083 -6.357 -15.378 1.00 62.11 C ATOM 0 H MET A 29 -2.225 -8.085 -14.244 1.00 62.42 H new ATOM 0 HA MET A 29 -1.287 -8.362 -16.886 1.00 10.11 H new ATOM 0 HB2 MET A 29 -0.253 -9.143 -14.205 1.00 53.34 H new ATOM 0 HB3 MET A 29 0.478 -9.814 -15.650 1.00 53.34 H new ATOM 0 HG2 MET A 29 0.760 -7.437 -16.496 1.00 74.45 H new ATOM 0 HG3 MET A 29 0.239 -6.884 -14.917 1.00 74.45 H new ATOM 0 HE1 MET A 29 4.171 -6.428 -15.371 1.00 62.11 H new ATOM 0 HE2 MET A 29 2.740 -6.144 -16.390 1.00 62.11 H new ATOM 0 HE3 MET A 29 2.767 -5.554 -14.712 1.00 62.11 H new ATOM 455 N ILE A 30 -2.743 -10.936 -15.570 1.00 74.55 N ATOM 456 CA ILE A 30 -3.288 -12.255 -15.913 1.00 51.23 C ATOM 457 C ILE A 30 -4.071 -12.181 -17.215 1.00 51.43 C ATOM 458 O ILE A 30 -3.890 -13.001 -18.108 1.00 33.13 O ATOM 459 CB ILE A 30 -4.227 -12.830 -14.809 1.00 15.15 C ATOM 460 CG1 ILE A 30 -3.490 -12.996 -13.484 1.00 41.24 C ATOM 461 CG2 ILE A 30 -4.827 -14.167 -15.249 1.00 32.51 C ATOM 462 CD1 ILE A 30 -4.343 -13.589 -12.390 1.00 42.01 C ATOM 0 H ILE A 30 -3.066 -10.563 -14.677 1.00 74.55 H new ATOM 0 HA ILE A 30 -2.430 -12.920 -16.012 1.00 51.23 H new ATOM 0 HB ILE A 30 -5.036 -12.114 -14.661 1.00 15.15 H new ATOM 0 HG12 ILE A 30 -2.619 -13.632 -13.639 1.00 41.24 H new ATOM 0 HG13 ILE A 30 -3.121 -12.023 -13.159 1.00 41.24 H new ATOM 0 HG21 ILE A 30 -5.479 -14.550 -14.463 1.00 32.51 H new ATOM 0 HG22 ILE A 30 -5.405 -14.024 -16.162 1.00 32.51 H new ATOM 0 HG23 ILE A 30 -4.025 -14.882 -15.436 1.00 32.51 H new ATOM 0 HD11 ILE A 30 -3.754 -13.678 -11.477 1.00 42.01 H new ATOM 0 HD12 ILE A 30 -5.201 -12.942 -12.207 1.00 42.01 H new ATOM 0 HD13 ILE A 30 -4.691 -14.576 -12.695 1.00 42.01 H new ATOM 474 N ILE A 31 -4.926 -11.195 -17.312 1.00 35.32 N ATOM 475 CA ILE A 31 -5.760 -11.019 -18.470 1.00 43.41 C ATOM 476 C ILE A 31 -4.939 -10.647 -19.709 1.00 22.44 C ATOM 477 O ILE A 31 -5.115 -11.232 -20.792 1.00 72.25 O ATOM 478 CB ILE A 31 -6.816 -9.917 -18.228 1.00 42.01 C ATOM 479 CG1 ILE A 31 -7.651 -10.246 -17.000 1.00 71.23 C ATOM 480 CG2 ILE A 31 -7.716 -9.795 -19.431 1.00 62.02 C ATOM 481 CD1 ILE A 31 -8.722 -9.230 -16.706 1.00 22.05 C ATOM 0 H ILE A 31 -5.063 -10.490 -16.587 1.00 35.32 H new ATOM 0 HA ILE A 31 -6.255 -11.974 -18.646 1.00 43.41 H new ATOM 0 HB ILE A 31 -6.300 -8.971 -18.064 1.00 42.01 H new ATOM 0 HG12 ILE A 31 -8.117 -11.222 -17.139 1.00 71.23 H new ATOM 0 HG13 ILE A 31 -6.993 -10.327 -16.135 1.00 71.23 H new ATOM 0 HG21 ILE A 31 -8.458 -9.016 -19.253 1.00 62.02 H new ATOM 0 HG22 ILE A 31 -7.120 -9.536 -20.306 1.00 62.02 H new ATOM 0 HG23 ILE A 31 -8.222 -10.745 -19.605 1.00 62.02 H new ATOM 0 HD11 ILE A 31 -9.276 -9.532 -15.817 1.00 22.05 H new ATOM 0 HD12 ILE A 31 -8.263 -8.257 -16.534 1.00 22.05 H new ATOM 0 HD13 ILE A 31 -9.404 -9.165 -17.554 1.00 22.05 H new ATOM 493 N THR A 32 -4.010 -9.725 -19.546 1.00 34.12 N ATOM 494 CA THR A 32 -3.267 -9.215 -20.663 1.00 12.03 C ATOM 495 C THR A 32 -2.185 -10.176 -21.101 1.00 73.13 C ATOM 496 O THR A 32 -1.934 -10.326 -22.296 1.00 23.15 O ATOM 497 CB THR A 32 -2.656 -7.840 -20.336 1.00 64.14 C ATOM 498 OG1 THR A 32 -1.863 -7.943 -19.140 1.00 13.32 O ATOM 499 CG2 THR A 32 -3.750 -6.801 -20.131 1.00 63.12 C ATOM 0 H THR A 32 -3.757 -9.318 -18.645 1.00 34.12 H new ATOM 0 HA THR A 32 -3.968 -9.100 -21.489 1.00 12.03 H new ATOM 0 HB THR A 32 -2.030 -7.527 -21.172 1.00 64.14 H new ATOM 0 HG1 THR A 32 -2.440 -7.840 -18.355 1.00 13.32 H new ATOM 0 HG21 THR A 32 -3.297 -5.837 -19.901 1.00 63.12 H new ATOM 0 HG22 THR A 32 -4.345 -6.715 -21.040 1.00 63.12 H new ATOM 0 HG23 THR A 32 -4.392 -7.107 -19.305 1.00 63.12 H new ATOM 507 N LYS A 33 -1.524 -10.811 -20.119 1.00 4.44 N ATOM 508 CA LYS A 33 -0.428 -11.767 -20.357 1.00 50.52 C ATOM 509 C LYS A 33 0.721 -11.099 -21.109 1.00 34.23 C ATOM 510 O LYS A 33 1.604 -11.764 -21.644 1.00 63.23 O ATOM 511 CB LYS A 33 -0.939 -12.991 -21.145 1.00 2.10 C ATOM 512 CG LYS A 33 -1.980 -13.820 -20.407 1.00 71.43 C ATOM 513 CD LYS A 33 -2.483 -14.990 -21.247 1.00 54.00 C ATOM 514 CE LYS A 33 -3.255 -14.526 -22.478 1.00 22.12 C ATOM 515 NZ LYS A 33 -4.492 -13.792 -22.120 1.00 14.43 N ATOM 0 H LYS A 33 -1.736 -10.675 -19.131 1.00 4.44 H new ATOM 0 HA LYS A 33 -0.057 -12.104 -19.389 1.00 50.52 H new ATOM 0 HB2 LYS A 33 -1.366 -12.649 -22.088 1.00 2.10 H new ATOM 0 HB3 LYS A 33 -0.091 -13.630 -21.392 1.00 2.10 H new ATOM 0 HG2 LYS A 33 -1.550 -14.199 -19.480 1.00 71.43 H new ATOM 0 HG3 LYS A 33 -2.821 -13.184 -20.132 1.00 71.43 H new ATOM 0 HD2 LYS A 33 -1.636 -15.601 -21.560 1.00 54.00 H new ATOM 0 HD3 LYS A 33 -3.125 -15.625 -20.636 1.00 54.00 H new ATOM 0 HE2 LYS A 33 -2.616 -13.884 -23.084 1.00 22.12 H new ATOM 0 HE3 LYS A 33 -3.512 -15.390 -23.091 1.00 22.12 H new ATOM 0 HZ1 LYS A 33 -5.075 -13.659 -22.971 1.00 14.43 H new ATOM 0 HZ2 LYS A 33 -5.027 -14.337 -21.414 1.00 14.43 H new ATOM 0 HZ3 LYS A 33 -4.242 -12.864 -21.723 1.00 14.43 H new ATOM 529 N SER A 34 0.717 -9.783 -21.114 1.00 32.22 N ATOM 530 CA SER A 34 1.672 -9.039 -21.896 1.00 41.15 C ATOM 531 C SER A 34 2.861 -8.519 -21.074 1.00 52.34 C ATOM 532 O SER A 34 3.887 -8.183 -21.645 1.00 74.02 O ATOM 533 CB SER A 34 0.956 -7.892 -22.608 1.00 35.41 C ATOM 534 OG SER A 34 -0.119 -8.394 -23.406 1.00 55.31 O ATOM 0 H SER A 34 0.061 -9.209 -20.584 1.00 32.22 H new ATOM 0 HA SER A 34 2.099 -9.724 -22.628 1.00 41.15 H new ATOM 0 HB2 SER A 34 0.572 -7.183 -21.874 1.00 35.41 H new ATOM 0 HB3 SER A 34 1.662 -7.349 -23.237 1.00 35.41 H new ATOM 0 HG SER A 34 -0.730 -8.913 -22.843 1.00 55.31 H new ATOM 540 N SER A 35 2.720 -8.456 -19.732 1.00 24.04 N ATOM 541 CA SER A 35 3.805 -7.948 -18.840 1.00 0.00 C ATOM 542 C SER A 35 4.118 -6.451 -19.133 1.00 71.24 C ATOM 543 O SER A 35 5.161 -5.919 -18.711 1.00 74.13 O ATOM 544 CB SER A 35 5.084 -8.824 -19.001 1.00 64.23 C ATOM 545 OG SER A 35 6.167 -8.351 -18.202 1.00 64.52 O ATOM 0 H SER A 35 1.876 -8.746 -19.238 1.00 24.04 H new ATOM 0 HA SER A 35 3.462 -8.017 -17.808 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.854 -9.853 -18.725 1.00 64.23 H new ATOM 0 HB3 SER A 35 5.385 -8.834 -20.048 1.00 64.23 H new ATOM 0 HG SER A 35 6.122 -7.374 -18.136 1.00 64.52 H new ATOM 551 N LYS A 36 3.189 -5.786 -19.792 1.00 43.24 N ATOM 552 CA LYS A 36 3.330 -4.443 -20.233 1.00 14.33 C ATOM 553 C LYS A 36 1.998 -4.047 -20.792 1.00 51.43 C ATOM 554 O LYS A 36 1.132 -4.909 -20.990 1.00 22.32 O ATOM 555 CB LYS A 36 4.409 -4.338 -21.336 1.00 43.25 C ATOM 556 CG LYS A 36 4.095 -5.165 -22.584 1.00 24.41 C ATOM 557 CD LYS A 36 5.192 -5.085 -23.631 1.00 11.45 C ATOM 558 CE LYS A 36 5.396 -3.671 -24.145 1.00 25.23 C ATOM 559 NZ LYS A 36 6.428 -3.624 -25.198 1.00 5.34 N ATOM 0 H LYS A 36 2.288 -6.196 -20.036 1.00 43.24 H new ATOM 0 HA LYS A 36 3.638 -3.795 -19.413 1.00 14.33 H new ATOM 0 HB2 LYS A 36 4.522 -3.293 -21.623 1.00 43.25 H new ATOM 0 HB3 LYS A 36 5.366 -4.662 -20.928 1.00 43.25 H new ATOM 0 HG2 LYS A 36 3.947 -6.206 -22.297 1.00 24.41 H new ATOM 0 HG3 LYS A 36 3.158 -4.818 -23.019 1.00 24.41 H new ATOM 0 HD2 LYS A 36 6.125 -5.452 -23.205 1.00 11.45 H new ATOM 0 HD3 LYS A 36 4.943 -5.740 -24.466 1.00 11.45 H new ATOM 0 HE2 LYS A 36 4.455 -3.286 -24.538 1.00 25.23 H new ATOM 0 HE3 LYS A 36 5.686 -3.021 -23.320 1.00 25.23 H new ATOM 0 HZ1 LYS A 36 6.543 -2.644 -25.528 1.00 5.34 H new ATOM 0 HZ2 LYS A 36 7.331 -3.969 -24.815 1.00 5.34 H new ATOM 0 HZ3 LYS A 36 6.138 -4.226 -25.995 1.00 5.34 H new ATOM 573 N GLY A 37 1.830 -2.808 -21.025 1.00 73.12 N ATOM 574 CA GLY A 37 0.607 -2.311 -21.589 1.00 51.13 C ATOM 575 C GLY A 37 0.115 -1.133 -20.819 1.00 2.23 C ATOM 576 O GLY A 37 0.911 -0.443 -20.154 1.00 73.02 O ATOM 0 H GLY A 37 2.530 -2.091 -20.835 1.00 73.12 H new ATOM 0 HA2 GLY A 37 0.768 -2.031 -22.630 1.00 51.13 H new ATOM 0 HA3 GLY A 37 -0.148 -3.097 -21.584 1.00 51.13 H new ATOM 580 N ASP A 38 -1.163 -0.889 -20.876 1.00 2.14 N ATOM 581 CA ASP A 38 -1.733 0.215 -20.155 1.00 42.43 C ATOM 582 C ASP A 38 -2.487 -0.296 -18.976 1.00 72.24 C ATOM 583 O ASP A 38 -3.500 -0.980 -19.115 1.00 55.11 O ATOM 584 CB ASP A 38 -2.647 1.083 -21.027 1.00 20.54 C ATOM 585 CG ASP A 38 -1.928 1.797 -22.142 1.00 55.33 C ATOM 586 OD1 ASP A 38 -1.306 2.847 -21.883 1.00 44.41 O ATOM 587 OD2 ASP A 38 -1.993 1.345 -23.301 1.00 50.12 O ATOM 0 H ASP A 38 -1.831 -1.440 -21.415 1.00 2.14 H new ATOM 0 HA ASP A 38 -0.910 0.851 -19.829 1.00 42.43 H new ATOM 0 HB2 ASP A 38 -3.428 0.455 -21.455 1.00 20.54 H new ATOM 0 HB3 ASP A 38 -3.142 1.821 -20.396 1.00 20.54 H new ATOM 592 N PHE A 39 -2.000 0.007 -17.828 1.00 24.13 N ATOM 593 CA PHE A 39 -2.628 -0.401 -16.617 1.00 23.52 C ATOM 594 C PHE A 39 -2.982 0.833 -15.853 1.00 75.33 C ATOM 595 O PHE A 39 -2.099 1.562 -15.382 1.00 31.53 O ATOM 596 CB PHE A 39 -1.707 -1.315 -15.812 1.00 23.35 C ATOM 597 CG PHE A 39 -1.301 -2.563 -16.559 1.00 73.02 C ATOM 598 CD1 PHE A 39 -2.194 -3.596 -16.728 1.00 30.10 C ATOM 599 CD2 PHE A 39 -0.031 -2.692 -17.100 1.00 31.44 C ATOM 600 CE1 PHE A 39 -1.839 -4.739 -17.416 1.00 75.44 C ATOM 601 CE2 PHE A 39 0.331 -3.829 -17.787 1.00 4.41 C ATOM 602 CZ PHE A 39 -0.574 -4.856 -17.944 1.00 12.41 C ATOM 0 H PHE A 39 -1.147 0.550 -17.697 1.00 24.13 H new ATOM 0 HA PHE A 39 -3.530 -0.975 -16.827 1.00 23.52 H new ATOM 0 HB2 PHE A 39 -0.811 -0.761 -15.531 1.00 23.35 H new ATOM 0 HB3 PHE A 39 -2.208 -1.601 -14.887 1.00 23.35 H new ATOM 0 HD1 PHE A 39 -3.189 -3.511 -16.316 1.00 30.10 H new ATOM 0 HD2 PHE A 39 0.683 -1.891 -16.981 1.00 31.44 H new ATOM 0 HE1 PHE A 39 -2.553 -5.540 -17.540 1.00 75.44 H new ATOM 0 HE2 PHE A 39 1.324 -3.916 -18.203 1.00 4.41 H new ATOM 0 HZ PHE A 39 -0.291 -5.750 -18.480 1.00 12.41 H new ATOM 612 N LEU A 40 -4.251 1.097 -15.750 1.00 32.30 N ATOM 613 CA LEU A 40 -4.702 2.319 -15.148 1.00 41.25 C ATOM 614 C LEU A 40 -5.424 2.034 -13.866 1.00 13.14 C ATOM 615 O LEU A 40 -6.392 1.283 -13.840 1.00 63.11 O ATOM 616 CB LEU A 40 -5.607 3.103 -16.100 1.00 2.51 C ATOM 617 CG LEU A 40 -5.028 3.469 -17.481 1.00 64.02 C ATOM 618 CD1 LEU A 40 -6.048 4.240 -18.298 1.00 34.40 C ATOM 619 CD2 LEU A 40 -3.753 4.276 -17.343 1.00 31.22 C ATOM 0 H LEU A 40 -4.995 0.481 -16.076 1.00 32.30 H new ATOM 0 HA LEU A 40 -3.825 2.930 -14.933 1.00 41.25 H new ATOM 0 HB2 LEU A 40 -6.515 2.522 -16.258 1.00 2.51 H new ATOM 0 HB3 LEU A 40 -5.902 4.027 -15.602 1.00 2.51 H new ATOM 0 HG LEU A 40 -4.789 2.540 -17.999 1.00 64.02 H new ATOM 0 HD11 LEU A 40 -5.622 4.490 -19.270 1.00 34.40 H new ATOM 0 HD12 LEU A 40 -6.939 3.628 -18.439 1.00 34.40 H new ATOM 0 HD13 LEU A 40 -6.317 5.157 -17.773 1.00 34.40 H new ATOM 0 HD21 LEU A 40 -3.368 4.520 -18.333 1.00 31.22 H new ATOM 0 HD22 LEU A 40 -3.962 5.197 -16.798 1.00 31.22 H new ATOM 0 HD23 LEU A 40 -3.011 3.693 -16.798 1.00 31.22 H new ATOM 631 N ILE A 41 -4.966 2.625 -12.815 1.00 43.11 N ATOM 632 CA ILE A 41 -5.530 2.411 -11.527 1.00 45.13 C ATOM 633 C ILE A 41 -6.260 3.670 -11.076 1.00 54.23 C ATOM 634 O ILE A 41 -5.796 4.790 -11.335 1.00 2.30 O ATOM 635 CB ILE A 41 -4.436 1.981 -10.511 1.00 73.12 C ATOM 636 CG1 ILE A 41 -3.679 0.758 -11.098 1.00 32.12 C ATOM 637 CG2 ILE A 41 -5.054 1.669 -9.149 1.00 72.33 C ATOM 638 CD1 ILE A 41 -2.761 0.021 -10.160 1.00 74.53 C ATOM 0 H ILE A 41 -4.182 3.277 -12.827 1.00 43.11 H new ATOM 0 HA ILE A 41 -6.253 1.597 -11.579 1.00 45.13 H new ATOM 0 HB ILE A 41 -3.729 2.795 -10.351 1.00 73.12 H new ATOM 0 HG12 ILE A 41 -4.416 0.051 -11.479 1.00 32.12 H new ATOM 0 HG13 ILE A 41 -3.093 1.098 -11.952 1.00 32.12 H new ATOM 0 HG21 ILE A 41 -4.270 1.370 -8.453 1.00 72.33 H new ATOM 0 HG22 ILE A 41 -5.559 2.556 -8.767 1.00 72.33 H new ATOM 0 HG23 ILE A 41 -5.775 0.858 -9.254 1.00 72.33 H new ATOM 0 HD11 ILE A 41 -2.293 -0.810 -10.687 1.00 74.53 H new ATOM 0 HD12 ILE A 41 -1.990 0.701 -9.796 1.00 74.53 H new ATOM 0 HD13 ILE A 41 -3.334 -0.362 -9.316 1.00 74.53 H new ATOM 650 N ARG A 42 -7.429 3.481 -10.465 1.00 62.14 N ATOM 651 CA ARG A 42 -8.253 4.560 -10.008 1.00 31.55 C ATOM 652 C ARG A 42 -7.514 5.373 -8.949 1.00 73.32 C ATOM 653 O ARG A 42 -6.987 4.829 -7.994 1.00 74.31 O ATOM 654 CB ARG A 42 -9.562 4.024 -9.404 1.00 11.43 C ATOM 655 CG ARG A 42 -10.564 5.119 -9.136 1.00 65.24 C ATOM 656 CD ARG A 42 -11.213 5.597 -10.425 1.00 13.24 C ATOM 657 NE ARG A 42 -12.361 4.765 -10.820 1.00 22.53 N ATOM 658 CZ ARG A 42 -13.238 5.097 -11.788 1.00 23.01 C ATOM 659 NH1 ARG A 42 -13.133 6.276 -12.413 1.00 34.34 N ATOM 660 NH2 ARG A 42 -14.224 4.266 -12.116 1.00 24.43 N ATOM 0 H ARG A 42 -7.820 2.558 -10.279 1.00 62.14 H new ATOM 0 HA ARG A 42 -8.485 5.194 -10.864 1.00 31.55 H new ATOM 0 HB2 ARG A 42 -10.000 3.293 -10.084 1.00 11.43 H new ATOM 0 HB3 ARG A 42 -9.342 3.501 -8.473 1.00 11.43 H new ATOM 0 HG2 ARG A 42 -11.331 4.754 -8.453 1.00 65.24 H new ATOM 0 HG3 ARG A 42 -10.069 5.956 -8.643 1.00 65.24 H new ATOM 0 HD2 ARG A 42 -11.542 6.629 -10.302 1.00 13.24 H new ATOM 0 HD3 ARG A 42 -10.472 5.592 -11.225 1.00 13.24 H new ATOM 0 HE ARG A 42 -12.502 3.881 -10.330 1.00 22.53 H new ATOM 0 HH11 ARG A 42 -12.389 6.924 -12.157 1.00 34.34 H new ATOM 0 HH12 ARG A 42 -13.797 6.526 -13.145 1.00 34.34 H new ATOM 0 HH21 ARG A 42 -14.319 3.372 -11.634 1.00 24.43 H new ATOM 0 HH22 ARG A 42 -14.885 4.523 -12.849 1.00 24.43 H new ATOM 674 N THR A 43 -7.487 6.642 -9.133 1.00 63.23 N ATOM 675 CA THR A 43 -6.844 7.537 -8.234 1.00 55.31 C ATOM 676 C THR A 43 -7.773 8.717 -7.978 1.00 34.13 C ATOM 677 O THR A 43 -8.689 8.972 -8.780 1.00 12.24 O ATOM 678 CB THR A 43 -5.471 8.019 -8.777 1.00 43.11 C ATOM 679 OG1 THR A 43 -4.755 8.714 -7.754 1.00 75.35 O ATOM 680 CG2 THR A 43 -5.638 8.949 -9.962 1.00 32.43 C ATOM 0 H THR A 43 -7.922 7.102 -9.933 1.00 63.23 H new ATOM 0 HA THR A 43 -6.640 7.014 -7.300 1.00 55.31 H new ATOM 0 HB THR A 43 -4.919 7.135 -9.095 1.00 43.11 H new ATOM 0 HG1 THR A 43 -3.890 9.012 -8.105 1.00 75.35 H new ATOM 0 HG21 THR A 43 -4.657 9.267 -10.316 1.00 32.43 H new ATOM 0 HG22 THR A 43 -6.162 8.427 -10.763 1.00 32.43 H new ATOM 0 HG23 THR A 43 -6.215 9.823 -9.660 1.00 32.43 H new ATOM 688 N LYS A 44 -7.597 9.382 -6.872 1.00 10.14 N ATOM 689 CA LYS A 44 -8.383 10.544 -6.568 1.00 33.41 C ATOM 690 C LYS A 44 -7.477 11.699 -6.770 1.00 3.41 C ATOM 691 O LYS A 44 -6.435 11.811 -6.107 1.00 23.32 O ATOM 692 CB LYS A 44 -8.831 10.560 -5.109 1.00 10.44 C ATOM 693 CG LYS A 44 -9.486 9.300 -4.640 1.00 43.33 C ATOM 694 CD LYS A 44 -10.718 8.945 -5.433 1.00 74.30 C ATOM 695 CE LYS A 44 -11.268 7.628 -4.946 1.00 33.54 C ATOM 696 NZ LYS A 44 -10.248 6.575 -5.041 1.00 11.21 N ATOM 0 H LYS A 44 -6.909 9.136 -6.160 1.00 10.14 H new ATOM 0 HA LYS A 44 -9.275 10.564 -7.194 1.00 33.41 H new ATOM 0 HB2 LYS A 44 -7.964 10.758 -4.479 1.00 10.44 H new ATOM 0 HB3 LYS A 44 -9.525 11.389 -4.966 1.00 10.44 H new ATOM 0 HG2 LYS A 44 -8.771 8.480 -4.704 1.00 43.33 H new ATOM 0 HG3 LYS A 44 -9.755 9.407 -3.589 1.00 43.33 H new ATOM 0 HD2 LYS A 44 -11.470 9.727 -5.326 1.00 74.30 H new ATOM 0 HD3 LYS A 44 -10.474 8.880 -6.493 1.00 74.30 H new ATOM 0 HE2 LYS A 44 -11.601 7.727 -3.913 1.00 33.54 H new ATOM 0 HE3 LYS A 44 -12.141 7.351 -5.538 1.00 33.54 H new ATOM 0 HZ1 LYS A 44 -10.620 5.781 -5.600 1.00 11.21 H new ATOM 0 HZ2 LYS A 44 -9.398 6.956 -5.503 1.00 11.21 H new ATOM 0 HZ3 LYS A 44 -10.003 6.242 -4.087 1.00 11.21 H new ATOM 710 N LYS A 45 -7.814 12.518 -7.687 1.00 72.10 N ATOM 711 CA LYS A 45 -6.991 13.618 -8.001 1.00 53.33 C ATOM 712 C LYS A 45 -7.842 14.859 -8.091 1.00 33.41 C ATOM 713 O LYS A 45 -8.651 15.017 -9.018 1.00 22.33 O ATOM 714 CB LYS A 45 -6.241 13.318 -9.306 1.00 60.10 C ATOM 715 CG LYS A 45 -5.205 14.328 -9.718 1.00 31.32 C ATOM 716 CD LYS A 45 -4.356 13.770 -10.856 1.00 23.44 C ATOM 717 CE LYS A 45 -3.460 12.604 -10.390 1.00 73.21 C ATOM 718 NZ LYS A 45 -2.600 12.068 -11.478 1.00 50.10 N ATOM 0 H LYS A 45 -8.667 12.446 -8.242 1.00 72.10 H new ATOM 0 HA LYS A 45 -6.246 13.791 -7.225 1.00 53.33 H new ATOM 0 HB2 LYS A 45 -5.755 12.348 -9.207 1.00 60.10 H new ATOM 0 HB3 LYS A 45 -6.972 13.228 -10.110 1.00 60.10 H new ATOM 0 HG2 LYS A 45 -5.691 15.251 -10.034 1.00 31.32 H new ATOM 0 HG3 LYS A 45 -4.570 14.577 -8.868 1.00 31.32 H new ATOM 0 HD2 LYS A 45 -5.007 13.428 -11.660 1.00 23.44 H new ATOM 0 HD3 LYS A 45 -3.733 14.564 -11.267 1.00 23.44 H new ATOM 0 HE2 LYS A 45 -2.829 12.942 -9.568 1.00 73.21 H new ATOM 0 HE3 LYS A 45 -4.088 11.802 -10.001 1.00 73.21 H new ATOM 0 HZ1 LYS A 45 -2.057 11.255 -11.123 1.00 50.10 H new ATOM 0 HZ2 LYS A 45 -3.196 11.765 -12.274 1.00 50.10 H new ATOM 0 HZ3 LYS A 45 -1.944 12.809 -11.799 1.00 50.10 H new ATOM 732 N ASP A 46 -7.680 15.713 -7.086 1.00 73.33 N ATOM 733 CA ASP A 46 -8.404 16.987 -6.958 1.00 63.42 C ATOM 734 C ASP A 46 -9.906 16.794 -6.838 1.00 33.40 C ATOM 735 O ASP A 46 -10.703 17.637 -7.274 1.00 71.35 O ATOM 736 CB ASP A 46 -8.045 17.980 -8.064 1.00 64.33 C ATOM 737 CG ASP A 46 -6.625 18.468 -7.952 1.00 72.20 C ATOM 738 OD1 ASP A 46 -6.334 19.264 -7.038 1.00 35.00 O ATOM 739 OD2 ASP A 46 -5.781 18.082 -8.780 1.00 31.11 O ATOM 0 H ASP A 46 -7.030 15.542 -6.319 1.00 73.33 H new ATOM 0 HA ASP A 46 -8.068 17.428 -6.020 1.00 63.42 H new ATOM 0 HB2 ASP A 46 -8.189 17.507 -9.035 1.00 64.33 H new ATOM 0 HB3 ASP A 46 -8.724 18.831 -8.020 1.00 64.33 H new ATOM 744 N GLY A 47 -10.287 15.709 -6.198 1.00 53.12 N ATOM 745 CA GLY A 47 -11.675 15.435 -5.936 1.00 11.33 C ATOM 746 C GLY A 47 -12.349 14.696 -7.050 1.00 50.31 C ATOM 747 O GLY A 47 -13.563 14.539 -7.050 1.00 4.52 O ATOM 0 H GLY A 47 -9.644 14.999 -5.848 1.00 53.12 H new ATOM 0 HA2 GLY A 47 -11.757 14.851 -5.019 1.00 11.33 H new ATOM 0 HA3 GLY A 47 -12.198 16.375 -5.763 1.00 11.33 H new ATOM 751 N LYS A 48 -11.585 14.250 -8.000 1.00 41.21 N ATOM 752 CA LYS A 48 -12.130 13.490 -9.088 1.00 11.02 C ATOM 753 C LYS A 48 -11.549 12.116 -9.080 1.00 25.14 C ATOM 754 O LYS A 48 -10.350 11.943 -8.797 1.00 33.43 O ATOM 755 CB LYS A 48 -11.831 14.149 -10.429 1.00 34.22 C ATOM 756 CG LYS A 48 -12.405 15.535 -10.592 1.00 71.31 C ATOM 757 CD LYS A 48 -12.092 16.081 -11.965 1.00 23.24 C ATOM 758 CE LYS A 48 -12.660 17.467 -12.145 1.00 41.21 C ATOM 759 NZ LYS A 48 -12.404 17.996 -13.494 1.00 51.35 N ATOM 0 H LYS A 48 -10.577 14.399 -8.046 1.00 41.21 H new ATOM 0 HA LYS A 48 -13.211 13.444 -8.958 1.00 11.02 H new ATOM 0 HB2 LYS A 48 -10.750 14.200 -10.560 1.00 34.22 H new ATOM 0 HB3 LYS A 48 -12.219 13.514 -11.225 1.00 34.22 H new ATOM 0 HG2 LYS A 48 -13.484 15.507 -10.443 1.00 71.31 H new ATOM 0 HG3 LYS A 48 -11.995 16.197 -9.829 1.00 71.31 H new ATOM 0 HD2 LYS A 48 -11.012 16.106 -12.111 1.00 23.24 H new ATOM 0 HD3 LYS A 48 -12.501 15.416 -12.725 1.00 23.24 H new ATOM 0 HE2 LYS A 48 -13.734 17.445 -11.962 1.00 41.21 H new ATOM 0 HE3 LYS A 48 -12.224 18.137 -11.404 1.00 41.21 H new ATOM 0 HZ1 LYS A 48 -12.810 18.950 -13.576 1.00 51.35 H new ATOM 0 HZ2 LYS A 48 -11.378 18.041 -13.660 1.00 51.35 H new ATOM 0 HZ3 LYS A 48 -12.842 17.371 -14.201 1.00 51.35 H new ATOM 773 N GLN A 49 -12.368 11.131 -9.358 1.00 30.41 N ATOM 774 CA GLN A 49 -11.877 9.797 -9.481 1.00 53.35 C ATOM 775 C GLN A 49 -11.439 9.626 -10.908 1.00 64.41 C ATOM 776 O GLN A 49 -12.247 9.732 -11.827 1.00 3.51 O ATOM 777 CB GLN A 49 -12.967 8.784 -9.132 1.00 15.52 C ATOM 778 CG GLN A 49 -13.503 8.921 -7.722 1.00 42.22 C ATOM 779 CD GLN A 49 -14.572 7.901 -7.403 1.00 1.32 C ATOM 780 OE1 GLN A 49 -14.274 6.801 -6.938 1.00 14.33 O ATOM 781 NE2 GLN A 49 -15.812 8.251 -7.623 1.00 14.22 N ATOM 0 H GLN A 49 -13.372 11.236 -9.501 1.00 30.41 H new ATOM 0 HA GLN A 49 -11.049 9.626 -8.794 1.00 53.35 H new ATOM 0 HB2 GLN A 49 -13.792 8.895 -9.836 1.00 15.52 H new ATOM 0 HB3 GLN A 49 -12.569 7.778 -9.263 1.00 15.52 H new ATOM 0 HG2 GLN A 49 -12.682 8.814 -7.013 1.00 42.22 H new ATOM 0 HG3 GLN A 49 -13.911 9.923 -7.588 1.00 42.22 H new ATOM 0 HE21 GLN A 49 -16.021 9.171 -8.010 1.00 14.22 H new ATOM 0 HE22 GLN A 49 -16.570 7.604 -7.408 1.00 14.22 H new ATOM 790 N VAL A 50 -10.187 9.358 -11.099 1.00 33.51 N ATOM 791 CA VAL A 50 -9.627 9.278 -12.425 1.00 71.15 C ATOM 792 C VAL A 50 -8.702 8.104 -12.521 1.00 34.34 C ATOM 793 O VAL A 50 -8.436 7.441 -11.524 1.00 14.11 O ATOM 794 CB VAL A 50 -8.870 10.590 -12.846 1.00 74.34 C ATOM 795 CG1 VAL A 50 -9.820 11.779 -12.930 1.00 11.13 C ATOM 796 CG2 VAL A 50 -7.736 10.903 -11.885 1.00 73.40 C ATOM 0 H VAL A 50 -9.519 9.188 -10.347 1.00 33.51 H new ATOM 0 HA VAL A 50 -10.461 9.153 -13.115 1.00 71.15 H new ATOM 0 HB VAL A 50 -8.450 10.412 -13.836 1.00 74.34 H new ATOM 0 HG11 VAL A 50 -9.264 12.669 -13.223 1.00 11.13 H new ATOM 0 HG12 VAL A 50 -10.594 11.575 -13.670 1.00 11.13 H new ATOM 0 HG13 VAL A 50 -10.283 11.945 -11.957 1.00 11.13 H new ATOM 0 HG21 VAL A 50 -7.232 11.816 -12.202 1.00 73.40 H new ATOM 0 HG22 VAL A 50 -8.137 11.041 -10.881 1.00 73.40 H new ATOM 0 HG23 VAL A 50 -7.024 10.078 -11.881 1.00 73.40 H new ATOM 806 N TRP A 51 -8.244 7.838 -13.698 1.00 72.35 N ATOM 807 CA TRP A 51 -7.361 6.751 -13.942 1.00 45.21 C ATOM 808 C TRP A 51 -5.932 7.241 -14.025 1.00 14.00 C ATOM 809 O TRP A 51 -5.653 8.283 -14.630 1.00 3.32 O ATOM 810 CB TRP A 51 -7.775 6.038 -15.218 1.00 64.00 C ATOM 811 CG TRP A 51 -9.122 5.450 -15.123 1.00 11.11 C ATOM 812 CD1 TRP A 51 -10.212 5.850 -15.787 1.00 74.14 C ATOM 813 CD2 TRP A 51 -9.522 4.365 -14.289 1.00 74.42 C ATOM 814 NE1 TRP A 51 -11.288 5.082 -15.435 1.00 33.42 N ATOM 815 CE2 TRP A 51 -10.886 4.156 -14.512 1.00 50.12 C ATOM 816 CE3 TRP A 51 -8.856 3.547 -13.380 1.00 63.35 C ATOM 817 CZ2 TRP A 51 -11.598 3.164 -13.858 1.00 2.12 C ATOM 818 CZ3 TRP A 51 -9.567 2.561 -12.732 1.00 30.24 C ATOM 819 CH2 TRP A 51 -10.923 2.377 -12.972 1.00 61.31 C ATOM 0 H TRP A 51 -8.477 8.380 -14.530 1.00 72.35 H new ATOM 0 HA TRP A 51 -7.419 6.043 -13.115 1.00 45.21 H new ATOM 0 HB2 TRP A 51 -7.747 6.742 -16.049 1.00 64.00 H new ATOM 0 HB3 TRP A 51 -7.054 5.252 -15.442 1.00 64.00 H new ATOM 0 HD1 TRP A 51 -10.239 6.662 -16.498 1.00 74.14 H new ATOM 0 HE1 TRP A 51 -12.235 5.183 -15.801 1.00 33.42 H new ATOM 0 HE3 TRP A 51 -7.802 3.683 -13.187 1.00 63.35 H new ATOM 0 HZ2 TRP A 51 -12.652 3.019 -14.043 1.00 2.12 H new ATOM 0 HZ3 TRP A 51 -9.062 1.920 -12.025 1.00 30.24 H new ATOM 0 HH2 TRP A 51 -11.453 1.596 -12.447 1.00 61.31 H new ATOM 830 N GLU A 52 -5.046 6.526 -13.394 1.00 24.40 N ATOM 831 CA GLU A 52 -3.649 6.852 -13.398 1.00 32.55 C ATOM 832 C GLU A 52 -2.840 5.610 -13.705 1.00 31.24 C ATOM 833 O GLU A 52 -3.133 4.537 -13.193 1.00 50.00 O ATOM 834 CB GLU A 52 -3.255 7.451 -12.060 1.00 13.43 C ATOM 835 CG GLU A 52 -1.808 7.846 -11.957 1.00 24.34 C ATOM 836 CD GLU A 52 -1.493 8.506 -10.647 1.00 14.14 C ATOM 837 OE1 GLU A 52 -1.318 7.786 -9.645 1.00 32.31 O ATOM 838 OE2 GLU A 52 -1.434 9.761 -10.595 1.00 23.24 O ATOM 0 H GLU A 52 -5.276 5.690 -12.856 1.00 24.40 H new ATOM 0 HA GLU A 52 -3.445 7.593 -14.171 1.00 32.55 H new ATOM 0 HB2 GLU A 52 -3.873 8.329 -11.873 1.00 13.43 H new ATOM 0 HB3 GLU A 52 -3.479 6.731 -11.273 1.00 13.43 H new ATOM 0 HG2 GLU A 52 -1.182 6.961 -12.076 1.00 24.34 H new ATOM 0 HG3 GLU A 52 -1.559 8.525 -12.773 1.00 24.34 H new ATOM 845 N ALA A 53 -1.846 5.759 -14.550 1.00 70.33 N ATOM 846 CA ALA A 53 -1.021 4.643 -14.973 1.00 35.04 C ATOM 847 C ALA A 53 -0.177 4.082 -13.835 1.00 35.42 C ATOM 848 O ALA A 53 0.269 4.820 -12.946 1.00 61.00 O ATOM 849 CB ALA A 53 -0.135 5.054 -16.143 1.00 74.02 C ATOM 0 H ALA A 53 -1.584 6.653 -14.965 1.00 70.33 H new ATOM 0 HA ALA A 53 -1.693 3.847 -15.294 1.00 35.04 H new ATOM 0 HB1 ALA A 53 0.479 4.207 -16.450 1.00 74.02 H new ATOM 0 HB2 ALA A 53 -0.759 5.371 -16.978 1.00 74.02 H new ATOM 0 HB3 ALA A 53 0.510 5.878 -15.839 1.00 74.02 H new ATOM 855 N ALA A 54 -0.004 2.780 -13.860 1.00 64.23 N ATOM 856 CA ALA A 54 0.835 2.067 -12.922 1.00 31.12 C ATOM 857 C ALA A 54 2.325 2.343 -13.192 1.00 64.40 C ATOM 858 O ALA A 54 2.676 3.122 -14.083 1.00 30.53 O ATOM 859 CB ALA A 54 0.545 0.572 -12.999 1.00 11.44 C ATOM 0 H ALA A 54 -0.452 2.174 -14.547 1.00 64.23 H new ATOM 0 HA ALA A 54 0.608 2.421 -11.917 1.00 31.12 H new ATOM 0 HB1 ALA A 54 1.180 0.041 -12.290 1.00 11.44 H new ATOM 0 HB2 ALA A 54 -0.502 0.391 -12.754 1.00 11.44 H new ATOM 0 HB3 ALA A 54 0.749 0.213 -14.008 1.00 11.44 H new ATOM 865 N SER A 55 3.178 1.684 -12.451 1.00 0.03 N ATOM 866 CA SER A 55 4.595 1.883 -12.545 1.00 64.43 C ATOM 867 C SER A 55 5.247 0.553 -12.811 1.00 61.41 C ATOM 868 O SER A 55 4.715 -0.482 -12.394 1.00 61.13 O ATOM 869 CB SER A 55 5.113 2.483 -11.231 1.00 20.14 C ATOM 870 OG SER A 55 6.521 2.625 -11.236 1.00 73.50 O ATOM 0 H SER A 55 2.902 0.987 -11.759 1.00 0.03 H new ATOM 0 HA SER A 55 4.832 2.571 -13.357 1.00 64.43 H new ATOM 0 HB2 SER A 55 4.650 3.457 -11.069 1.00 20.14 H new ATOM 0 HB3 SER A 55 4.815 1.846 -10.398 1.00 20.14 H new ATOM 0 HG SER A 55 6.913 2.019 -10.573 1.00 73.50 H new ATOM 876 N LYS A 56 6.399 0.565 -13.481 1.00 31.32 N ATOM 877 CA LYS A 56 7.111 -0.664 -13.825 1.00 11.44 C ATOM 878 C LYS A 56 7.478 -1.453 -12.581 1.00 30.22 C ATOM 879 O LYS A 56 7.479 -2.680 -12.596 1.00 5.45 O ATOM 880 CB LYS A 56 8.373 -0.384 -14.651 1.00 20.42 C ATOM 881 CG LYS A 56 8.117 0.307 -15.985 1.00 0.31 C ATOM 882 CD LYS A 56 9.401 0.434 -16.813 1.00 52.20 C ATOM 883 CE LYS A 56 10.489 1.237 -16.100 1.00 62.35 C ATOM 884 NZ LYS A 56 10.068 2.628 -15.821 1.00 14.21 N ATOM 0 H LYS A 56 6.861 1.418 -13.798 1.00 31.32 H new ATOM 0 HA LYS A 56 6.430 -1.258 -14.434 1.00 11.44 H new ATOM 0 HB2 LYS A 56 9.048 0.234 -14.060 1.00 20.42 H new ATOM 0 HB3 LYS A 56 8.886 -1.327 -14.838 1.00 20.42 H new ATOM 0 HG2 LYS A 56 7.374 -0.256 -16.550 1.00 0.31 H new ATOM 0 HG3 LYS A 56 7.699 1.298 -15.807 1.00 0.31 H new ATOM 0 HD2 LYS A 56 9.781 -0.562 -17.040 1.00 52.20 H new ATOM 0 HD3 LYS A 56 9.168 0.911 -17.765 1.00 52.20 H new ATOM 0 HE2 LYS A 56 10.747 0.743 -15.163 1.00 62.35 H new ATOM 0 HE3 LYS A 56 11.390 1.248 -16.713 1.00 62.35 H new ATOM 0 HZ1 LYS A 56 10.870 3.162 -15.430 1.00 14.21 H new ATOM 0 HZ2 LYS A 56 9.750 3.078 -16.703 1.00 14.21 H new ATOM 0 HZ3 LYS A 56 9.288 2.623 -15.133 1.00 14.21 H new ATOM 898 N THR A 57 7.744 -0.746 -11.501 1.00 52.15 N ATOM 899 CA THR A 57 8.111 -1.373 -10.256 1.00 13.32 C ATOM 900 C THR A 57 6.914 -2.096 -9.618 1.00 52.14 C ATOM 901 O THR A 57 7.064 -3.149 -8.992 1.00 13.33 O ATOM 902 CB THR A 57 8.739 -0.349 -9.291 1.00 24.13 C ATOM 903 OG1 THR A 57 7.874 0.810 -9.170 1.00 61.32 O ATOM 904 CG2 THR A 57 10.102 0.087 -9.808 1.00 43.11 C ATOM 0 H THR A 57 7.711 0.273 -11.466 1.00 52.15 H new ATOM 0 HA THR A 57 8.865 -2.131 -10.470 1.00 13.32 H new ATOM 0 HB THR A 57 8.858 -0.815 -8.313 1.00 24.13 H new ATOM 0 HG1 THR A 57 8.278 1.457 -8.554 1.00 61.32 H new ATOM 0 HG21 THR A 57 10.538 0.811 -9.119 1.00 43.11 H new ATOM 0 HG22 THR A 57 10.757 -0.781 -9.885 1.00 43.11 H new ATOM 0 HG23 THR A 57 9.989 0.544 -10.791 1.00 43.11 H new ATOM 912 N ALA A 58 5.728 -1.532 -9.785 1.00 61.52 N ATOM 913 CA ALA A 58 4.504 -2.162 -9.300 1.00 72.24 C ATOM 914 C ALA A 58 4.128 -3.319 -10.209 1.00 24.24 C ATOM 915 O ALA A 58 3.696 -4.383 -9.752 1.00 53.24 O ATOM 916 CB ALA A 58 3.369 -1.154 -9.212 1.00 73.34 C ATOM 0 H ALA A 58 5.584 -0.637 -10.253 1.00 61.52 H new ATOM 0 HA ALA A 58 4.683 -2.545 -8.295 1.00 72.24 H new ATOM 0 HB1 ALA A 58 2.469 -1.650 -8.848 1.00 73.34 H new ATOM 0 HB2 ALA A 58 3.645 -0.354 -8.525 1.00 73.34 H new ATOM 0 HB3 ALA A 58 3.178 -0.734 -10.200 1.00 73.34 H new ATOM 922 N LEU A 59 4.308 -3.105 -11.495 1.00 74.24 N ATOM 923 CA LEU A 59 4.037 -4.106 -12.494 1.00 32.02 C ATOM 924 C LEU A 59 4.943 -5.325 -12.296 1.00 64.33 C ATOM 925 O LEU A 59 4.508 -6.461 -12.445 1.00 50.04 O ATOM 926 CB LEU A 59 4.217 -3.508 -13.896 1.00 4.25 C ATOM 927 CG LEU A 59 3.268 -2.373 -14.289 1.00 71.41 C ATOM 928 CD1 LEU A 59 3.644 -1.822 -15.654 1.00 53.25 C ATOM 929 CD2 LEU A 59 1.842 -2.864 -14.320 1.00 72.12 C ATOM 0 H LEU A 59 4.650 -2.222 -11.875 1.00 74.24 H new ATOM 0 HA LEU A 59 3.004 -4.439 -12.390 1.00 32.02 H new ATOM 0 HB2 LEU A 59 5.240 -3.140 -13.980 1.00 4.25 H new ATOM 0 HB3 LEU A 59 4.106 -4.311 -14.625 1.00 4.25 H new ATOM 0 HG LEU A 59 3.356 -1.582 -13.545 1.00 71.41 H new ATOM 0 HD11 LEU A 59 2.961 -1.016 -15.921 1.00 53.25 H new ATOM 0 HD12 LEU A 59 4.664 -1.439 -15.623 1.00 53.25 H new ATOM 0 HD13 LEU A 59 3.577 -2.616 -16.398 1.00 53.25 H new ATOM 0 HD21 LEU A 59 1.181 -2.044 -14.601 1.00 72.12 H new ATOM 0 HD22 LEU A 59 1.750 -3.670 -15.048 1.00 72.12 H new ATOM 0 HD23 LEU A 59 1.563 -3.233 -13.333 1.00 72.12 H new ATOM 941 N LYS A 60 6.185 -5.078 -11.911 1.00 21.11 N ATOM 942 CA LYS A 60 7.157 -6.122 -11.685 1.00 42.23 C ATOM 943 C LYS A 60 6.685 -7.019 -10.516 1.00 1.42 C ATOM 944 O LYS A 60 6.824 -8.244 -10.564 1.00 73.45 O ATOM 945 CB LYS A 60 8.538 -5.456 -11.416 1.00 43.34 C ATOM 946 CG LYS A 60 9.763 -6.368 -11.396 1.00 4.23 C ATOM 947 CD LYS A 60 9.798 -7.290 -10.204 1.00 44.42 C ATOM 948 CE LYS A 60 11.041 -8.139 -10.240 1.00 5.31 C ATOM 949 NZ LYS A 60 11.148 -9.054 -9.087 1.00 31.22 N ATOM 0 H LYS A 60 6.544 -4.138 -11.747 1.00 21.11 H new ATOM 0 HA LYS A 60 7.260 -6.767 -12.557 1.00 42.23 H new ATOM 0 HB2 LYS A 60 8.698 -4.692 -12.177 1.00 43.34 H new ATOM 0 HB3 LYS A 60 8.484 -4.943 -10.456 1.00 43.34 H new ATOM 0 HG2 LYS A 60 9.779 -6.964 -12.309 1.00 4.23 H new ATOM 0 HG3 LYS A 60 10.664 -5.755 -11.400 1.00 4.23 H new ATOM 0 HD2 LYS A 60 9.773 -6.707 -9.283 1.00 44.42 H new ATOM 0 HD3 LYS A 60 8.914 -7.927 -10.202 1.00 44.42 H new ATOM 0 HE2 LYS A 60 11.050 -8.722 -11.161 1.00 5.31 H new ATOM 0 HE3 LYS A 60 11.917 -7.490 -10.265 1.00 5.31 H new ATOM 0 HZ1 LYS A 60 12.022 -9.612 -9.166 1.00 31.22 H new ATOM 0 HZ2 LYS A 60 11.169 -8.502 -8.206 1.00 31.22 H new ATOM 0 HZ3 LYS A 60 10.329 -9.694 -9.075 1.00 31.22 H new ATOM 963 N LYS A 61 6.087 -6.406 -9.491 1.00 3.20 N ATOM 964 CA LYS A 61 5.583 -7.163 -8.338 1.00 52.21 C ATOM 965 C LYS A 61 4.353 -7.972 -8.733 1.00 35.35 C ATOM 966 O LYS A 61 4.075 -9.026 -8.165 1.00 63.03 O ATOM 967 CB LYS A 61 5.215 -6.232 -7.175 1.00 33.51 C ATOM 968 CG LYS A 61 6.349 -5.360 -6.684 1.00 25.31 C ATOM 969 CD LYS A 61 5.924 -4.532 -5.487 1.00 4.44 C ATOM 970 CE LYS A 61 7.027 -3.579 -5.043 1.00 15.32 C ATOM 971 NZ LYS A 61 7.347 -2.579 -6.086 1.00 31.03 N ATOM 0 H LYS A 61 5.940 -5.398 -9.434 1.00 3.20 H new ATOM 0 HA LYS A 61 6.380 -7.833 -8.014 1.00 52.21 H new ATOM 0 HB2 LYS A 61 4.390 -5.591 -7.487 1.00 33.51 H new ATOM 0 HB3 LYS A 61 4.853 -6.836 -6.344 1.00 33.51 H new ATOM 0 HG2 LYS A 61 7.201 -5.984 -6.414 1.00 25.31 H new ATOM 0 HG3 LYS A 61 6.679 -4.701 -7.487 1.00 25.31 H new ATOM 0 HD2 LYS A 61 5.029 -3.962 -5.737 1.00 4.44 H new ATOM 0 HD3 LYS A 61 5.660 -5.193 -4.662 1.00 4.44 H new ATOM 0 HE2 LYS A 61 6.719 -3.067 -4.132 1.00 15.32 H new ATOM 0 HE3 LYS A 61 7.923 -4.150 -4.800 1.00 15.32 H new ATOM 0 HZ1 LYS A 61 8.336 -2.694 -6.386 1.00 31.03 H new ATOM 0 HZ2 LYS A 61 6.719 -2.717 -6.904 1.00 31.03 H new ATOM 0 HZ3 LYS A 61 7.211 -1.622 -5.703 1.00 31.03 H new ATOM 985 N SER A 62 3.641 -7.480 -9.719 1.00 53.12 N ATOM 986 CA SER A 62 2.436 -8.109 -10.175 1.00 74.12 C ATOM 987 C SER A 62 2.760 -9.311 -11.060 1.00 15.10 C ATOM 988 O SER A 62 2.095 -10.340 -10.989 1.00 43.53 O ATOM 989 CB SER A 62 1.577 -7.077 -10.885 1.00 33.15 C ATOM 990 OG SER A 62 1.334 -5.983 -9.998 1.00 5.31 O ATOM 0 H SER A 62 3.886 -6.629 -10.226 1.00 53.12 H new ATOM 0 HA SER A 62 1.869 -8.494 -9.327 1.00 74.12 H new ATOM 0 HB2 SER A 62 2.079 -6.726 -11.787 1.00 33.15 H new ATOM 0 HB3 SER A 62 0.634 -7.524 -11.198 1.00 33.15 H new ATOM 0 HG SER A 62 2.146 -5.441 -9.917 1.00 5.31 H new ATOM 996 N TRP A 63 3.811 -9.195 -11.859 1.00 65.31 N ATOM 997 CA TRP A 63 4.245 -10.294 -12.667 1.00 72.43 C ATOM 998 C TRP A 63 4.939 -11.316 -11.788 1.00 25.21 C ATOM 999 O TRP A 63 4.919 -12.483 -12.078 1.00 25.32 O ATOM 1000 CB TRP A 63 5.168 -9.830 -13.808 1.00 61.40 C ATOM 1001 CG TRP A 63 5.660 -10.953 -14.694 1.00 42.23 C ATOM 1002 CD1 TRP A 63 6.785 -11.697 -14.509 1.00 35.00 C ATOM 1003 CD2 TRP A 63 5.036 -11.458 -15.886 1.00 20.44 C ATOM 1004 NE1 TRP A 63 6.916 -12.622 -15.512 1.00 33.24 N ATOM 1005 CE2 TRP A 63 5.857 -12.499 -16.370 1.00 54.34 C ATOM 1006 CE3 TRP A 63 3.872 -11.132 -16.593 1.00 44.43 C ATOM 1007 CZ2 TRP A 63 5.552 -13.213 -17.525 1.00 1.12 C ATOM 1008 CZ3 TRP A 63 3.572 -11.850 -17.741 1.00 31.14 C ATOM 1009 CH2 TRP A 63 4.408 -12.875 -18.193 1.00 43.52 C ATOM 0 H TRP A 63 4.369 -8.347 -11.956 1.00 65.31 H new ATOM 0 HA TRP A 63 3.372 -10.751 -13.133 1.00 72.43 H new ATOM 0 HB2 TRP A 63 4.634 -9.104 -14.421 1.00 61.40 H new ATOM 0 HB3 TRP A 63 6.028 -9.315 -13.380 1.00 61.40 H new ATOM 0 HD1 TRP A 63 7.476 -11.576 -13.688 1.00 35.00 H new ATOM 0 HE1 TRP A 63 7.679 -13.293 -15.604 1.00 33.24 H new ATOM 0 HE3 TRP A 63 3.223 -10.339 -16.252 1.00 44.43 H new ATOM 0 HZ2 TRP A 63 6.195 -14.005 -17.880 1.00 1.12 H new ATOM 0 HZ3 TRP A 63 2.676 -11.613 -18.296 1.00 31.14 H new ATOM 0 HH2 TRP A 63 4.144 -13.413 -19.092 1.00 43.52 H new ATOM 1020 N LYS A 64 5.530 -10.853 -10.690 1.00 34.05 N ATOM 1021 CA LYS A 64 6.265 -11.725 -9.784 1.00 52.20 C ATOM 1022 C LYS A 64 5.420 -12.903 -9.308 1.00 23.45 C ATOM 1023 O LYS A 64 5.859 -14.038 -9.382 1.00 24.50 O ATOM 1024 CB LYS A 64 6.817 -10.954 -8.581 1.00 60.12 C ATOM 1025 CG LYS A 64 7.597 -11.836 -7.619 1.00 22.44 C ATOM 1026 CD LYS A 64 8.186 -11.050 -6.476 1.00 11.42 C ATOM 1027 CE LYS A 64 8.996 -11.959 -5.575 1.00 62.04 C ATOM 1028 NZ LYS A 64 9.608 -11.232 -4.445 1.00 71.11 N ATOM 0 H LYS A 64 5.513 -9.873 -10.407 1.00 34.05 H new ATOM 0 HA LYS A 64 7.104 -12.122 -10.355 1.00 52.20 H new ATOM 0 HB2 LYS A 64 7.464 -10.152 -8.936 1.00 60.12 H new ATOM 0 HB3 LYS A 64 5.991 -10.485 -8.047 1.00 60.12 H new ATOM 0 HG2 LYS A 64 6.939 -12.610 -7.224 1.00 22.44 H new ATOM 0 HG3 LYS A 64 8.397 -12.342 -8.160 1.00 22.44 H new ATOM 0 HD2 LYS A 64 8.820 -10.252 -6.863 1.00 11.42 H new ATOM 0 HD3 LYS A 64 7.389 -10.575 -5.903 1.00 11.42 H new ATOM 0 HE2 LYS A 64 8.353 -12.750 -5.189 1.00 62.04 H new ATOM 0 HE3 LYS A 64 9.779 -12.442 -6.160 1.00 62.04 H new ATOM 0 HZ1 LYS A 64 10.151 -11.897 -3.858 1.00 71.11 H new ATOM 0 HZ2 LYS A 64 10.243 -10.494 -4.810 1.00 71.11 H new ATOM 0 HZ3 LYS A 64 8.861 -10.793 -3.870 1.00 71.11 H new ATOM 1042 N ARG A 65 4.207 -12.643 -8.864 1.00 1.44 N ATOM 1043 CA ARG A 65 3.356 -13.724 -8.368 1.00 1.04 C ATOM 1044 C ARG A 65 2.908 -14.586 -9.576 1.00 63.23 C ATOM 1045 O ARG A 65 2.780 -15.802 -9.479 1.00 53.42 O ATOM 1046 CB ARG A 65 2.145 -13.118 -7.599 1.00 23.42 C ATOM 1047 CG ARG A 65 1.379 -14.068 -6.630 1.00 65.41 C ATOM 1048 CD ARG A 65 0.672 -15.234 -7.314 1.00 61.40 C ATOM 1049 NE ARG A 65 -0.043 -16.097 -6.354 1.00 53.33 N ATOM 1050 CZ ARG A 65 -1.208 -16.732 -6.599 1.00 13.21 C ATOM 1051 NH1 ARG A 65 -1.806 -16.607 -7.782 1.00 63.43 N ATOM 1052 NH2 ARG A 65 -1.752 -17.509 -5.666 1.00 12.34 N ATOM 0 H ARG A 65 3.787 -11.714 -8.833 1.00 1.44 H new ATOM 0 HA ARG A 65 3.897 -14.363 -7.670 1.00 1.04 H new ATOM 0 HB2 ARG A 65 2.501 -12.263 -7.025 1.00 23.42 H new ATOM 0 HB3 ARG A 65 1.434 -12.736 -8.332 1.00 23.42 H new ATOM 0 HG2 ARG A 65 2.083 -14.465 -5.899 1.00 65.41 H new ATOM 0 HG3 ARG A 65 0.641 -13.485 -6.078 1.00 65.41 H new ATOM 0 HD2 ARG A 65 -0.035 -14.847 -8.048 1.00 61.40 H new ATOM 0 HD3 ARG A 65 1.404 -15.830 -7.860 1.00 61.40 H new ATOM 0 HE ARG A 65 0.376 -16.223 -5.433 1.00 53.33 H new ATOM 0 HH11 ARG A 65 -1.383 -16.029 -8.508 1.00 63.43 H new ATOM 0 HH12 ARG A 65 -2.687 -17.089 -7.962 1.00 63.43 H new ATOM 0 HH21 ARG A 65 -1.288 -17.625 -4.765 1.00 12.34 H new ATOM 0 HH22 ARG A 65 -2.633 -17.989 -5.852 1.00 12.34 H new ATOM 1066 N TYR A 66 2.745 -13.929 -10.714 1.00 51.23 N ATOM 1067 CA TYR A 66 2.309 -14.562 -11.953 1.00 55.21 C ATOM 1068 C TYR A 66 3.396 -15.534 -12.444 1.00 24.03 C ATOM 1069 O TYR A 66 3.107 -16.657 -12.879 1.00 21.20 O ATOM 1070 CB TYR A 66 2.042 -13.455 -12.988 1.00 13.42 C ATOM 1071 CG TYR A 66 1.336 -13.899 -14.242 1.00 70.21 C ATOM 1072 CD1 TYR A 66 -0.033 -14.095 -14.237 1.00 3.02 C ATOM 1073 CD2 TYR A 66 2.023 -14.099 -15.427 1.00 51.13 C ATOM 1074 CE1 TYR A 66 -0.704 -14.483 -15.370 1.00 50.14 C ATOM 1075 CE2 TYR A 66 1.357 -14.488 -16.575 1.00 14.42 C ATOM 1076 CZ TYR A 66 -0.008 -14.678 -16.541 1.00 75.22 C ATOM 1077 OH TYR A 66 -0.679 -15.065 -17.680 1.00 15.10 O ATOM 0 H TYR A 66 2.914 -12.927 -10.806 1.00 51.23 H new ATOM 0 HA TYR A 66 1.395 -15.135 -11.797 1.00 55.21 H new ATOM 0 HB2 TYR A 66 1.448 -12.674 -12.514 1.00 13.42 H new ATOM 0 HB3 TYR A 66 2.995 -13.005 -13.268 1.00 13.42 H new ATOM 0 HD1 TYR A 66 -0.586 -13.940 -13.322 1.00 3.02 H new ATOM 0 HD2 TYR A 66 3.092 -13.949 -15.455 1.00 51.13 H new ATOM 0 HE1 TYR A 66 -1.773 -14.634 -15.342 1.00 50.14 H new ATOM 0 HE2 TYR A 66 1.904 -14.642 -17.494 1.00 14.42 H new ATOM 0 HH TYR A 66 -1.635 -15.154 -17.482 1.00 15.10 H new ATOM 1087 N GLU A 67 4.652 -15.097 -12.348 1.00 13.43 N ATOM 1088 CA GLU A 67 5.780 -15.925 -12.710 1.00 42.22 C ATOM 1089 C GLU A 67 5.994 -17.027 -11.707 1.00 64.22 C ATOM 1090 O GLU A 67 6.471 -18.084 -12.071 1.00 42.14 O ATOM 1091 CB GLU A 67 7.070 -15.126 -13.014 1.00 35.14 C ATOM 1092 CG GLU A 67 7.617 -14.300 -11.876 1.00 54.44 C ATOM 1093 CD GLU A 67 8.920 -13.627 -12.223 1.00 13.12 C ATOM 1094 OE1 GLU A 67 9.937 -14.333 -12.398 1.00 0.51 O ATOM 1095 OE2 GLU A 67 8.965 -12.389 -12.293 1.00 61.23 O ATOM 0 H GLU A 67 4.905 -14.165 -12.019 1.00 13.43 H new ATOM 0 HA GLU A 67 5.523 -16.396 -13.659 1.00 42.22 H new ATOM 0 HB2 GLU A 67 7.842 -15.827 -13.332 1.00 35.14 H new ATOM 0 HB3 GLU A 67 6.874 -14.463 -13.857 1.00 35.14 H new ATOM 0 HG2 GLU A 67 6.884 -13.543 -11.596 1.00 54.44 H new ATOM 0 HG3 GLU A 67 7.763 -14.939 -11.005 1.00 54.44 H new ATOM 1102 N GLN A 68 5.622 -16.792 -10.443 1.00 43.13 N ATOM 1103 CA GLN A 68 5.700 -17.855 -9.438 1.00 53.35 C ATOM 1104 C GLN A 68 4.779 -18.988 -9.838 1.00 75.45 C ATOM 1105 O GLN A 68 5.143 -20.142 -9.756 1.00 40.53 O ATOM 1106 CB GLN A 68 5.317 -17.376 -8.027 1.00 0.03 C ATOM 1107 CG GLN A 68 6.170 -16.257 -7.465 1.00 31.33 C ATOM 1108 CD GLN A 68 7.643 -16.585 -7.405 1.00 31.31 C ATOM 1109 OE1 GLN A 68 8.139 -17.110 -6.411 1.00 13.13 O ATOM 1110 NE2 GLN A 68 8.358 -16.252 -8.450 1.00 53.14 N ATOM 0 H GLN A 68 5.272 -15.898 -10.099 1.00 43.13 H new ATOM 0 HA GLN A 68 6.738 -18.184 -9.400 1.00 53.35 H new ATOM 0 HB2 GLN A 68 4.279 -17.045 -8.044 1.00 0.03 H new ATOM 0 HB3 GLN A 68 5.369 -18.226 -7.347 1.00 0.03 H new ATOM 0 HG2 GLN A 68 6.031 -15.365 -8.075 1.00 31.33 H new ATOM 0 HG3 GLN A 68 5.820 -16.015 -6.462 1.00 31.33 H new ATOM 0 HE21 GLN A 68 7.910 -15.818 -9.257 1.00 53.14 H new ATOM 0 HE22 GLN A 68 9.363 -16.427 -8.457 1.00 53.14 H new ATOM 1119 N GLU A 69 3.593 -18.635 -10.316 1.00 71.44 N ATOM 1120 CA GLU A 69 2.610 -19.620 -10.737 1.00 43.11 C ATOM 1121 C GLU A 69 3.095 -20.484 -11.892 1.00 10.43 C ATOM 1122 O GLU A 69 3.024 -21.704 -11.812 1.00 21.14 O ATOM 1123 CB GLU A 69 1.262 -18.979 -11.053 1.00 51.42 C ATOM 1124 CG GLU A 69 0.586 -18.374 -9.839 1.00 11.33 C ATOM 1125 CD GLU A 69 0.316 -19.408 -8.769 1.00 55.10 C ATOM 1126 OE1 GLU A 69 1.195 -19.653 -7.939 1.00 21.14 O ATOM 1127 OE2 GLU A 69 -0.786 -19.999 -8.759 1.00 31.22 O ATOM 0 H GLU A 69 3.289 -17.667 -10.422 1.00 71.44 H new ATOM 0 HA GLU A 69 2.470 -20.287 -9.886 1.00 43.11 H new ATOM 0 HB2 GLU A 69 1.404 -18.203 -11.805 1.00 51.42 H new ATOM 0 HB3 GLU A 69 0.604 -19.730 -11.490 1.00 51.42 H new ATOM 0 HG2 GLU A 69 1.215 -17.584 -9.429 1.00 11.33 H new ATOM 0 HG3 GLU A 69 -0.353 -17.910 -10.140 1.00 11.33 H new