USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 596 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 28 TYR OH : rot 180:sc= 0.126 USER MOD Set 1.2: A 32 LYS NZ :NH3+ 142:sc= 0.219 (180deg=0) USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 168:sc= 0 (180deg=-0.133) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -45:sc= 1.74 USER MOD Single : A 9 TYR OH : rot 29:sc= 0.289 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.437 K(o=-0.44,f=-4.4!) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0151 USER MOD Single : A 20 GLN :FLIP amide:sc= -2.12 F(o=-2.9,f=-2.1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.754) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.584 X(o=-0.58,f=-0.22) USER MOD Single : A 33 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.106) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -0.858 K(o=-0.86,f=-3.3) USER MOD Single : A 38 THR OG1 : rot -44:sc= 0.179 USER MOD Single : A 39 ASN : amide:sc= -3.42! C(o=-3.4!,f=-4.6!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -153:sc= -0.145 (180deg=-0.735) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.501 K(o=-0.5,f=-1.8) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.64 X(o=-0.64,f=-0.31) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -41:sc= 0.00334 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 1.269 -4.015 2.732 1.00 22.15 N ATOM 2 CA HIS A 1 1.194 -4.558 1.381 1.00 51.23 C ATOM 3 C HIS A 1 -0.052 -4.051 0.661 1.00 73.53 C ATOM 4 O HIS A 1 -1.176 -4.384 1.037 1.00 41.51 O ATOM 5 CB HIS A 1 1.188 -6.086 1.422 1.00 72.23 C ATOM 6 CG HIS A 1 2.555 -6.693 1.348 1.00 2.22 C ATOM 7 ND1 HIS A 1 3.170 -7.020 0.158 1.00 5.23 N ATOM 8 CD2 HIS A 1 3.428 -7.030 2.326 1.00 32.14 C ATOM 9 CE1 HIS A 1 4.362 -7.534 0.408 1.00 53.32 C ATOM 10 NE2 HIS A 1 4.542 -7.551 1.716 1.00 4.41 N ATOM 0 H1 HIS A 1 2.124 -4.373 3.203 1.00 22.15 H new ATOM 0 H2 HIS A 1 1.307 -2.977 2.687 1.00 22.15 H new ATOM 0 H3 HIS A 1 0.429 -4.307 3.271 1.00 22.15 H new ATOM 0 HA HIS A 1 2.073 -4.221 0.831 1.00 51.23 H new ATOM 0 HB2 HIS A 1 0.703 -6.415 2.341 1.00 72.23 H new ATOM 0 HB3 HIS A 1 0.588 -6.461 0.593 1.00 72.23 H new ATOM 0 HD2 HIS A 1 3.276 -6.911 3.389 1.00 32.14 H new ATOM 0 HE1 HIS A 1 5.068 -7.881 -0.332 1.00 53.32 H new ATOM 0 HE2 HIS A 1 5.374 -7.895 2.195 1.00 4.41 H new ATOM 18 N MET A 2 0.155 -3.246 -0.376 1.00 3.34 N ATOM 19 CA MET A 2 -0.952 -2.694 -1.148 1.00 62.21 C ATOM 20 C MET A 2 -1.040 -3.355 -2.520 1.00 31.31 C ATOM 21 O MET A 2 -0.533 -2.825 -3.510 1.00 30.35 O ATOM 22 CB MET A 2 -0.787 -1.182 -1.308 1.00 2.43 C ATOM 23 CG MET A 2 -2.083 -0.460 -1.639 1.00 33.43 C ATOM 24 SD MET A 2 -3.246 -0.455 -0.261 1.00 14.10 S ATOM 25 CE MET A 2 -2.502 0.777 0.805 1.00 33.35 C ATOM 0 H MET A 2 1.079 -2.962 -0.701 1.00 3.34 H new ATOM 0 HA MET A 2 -1.876 -2.896 -0.606 1.00 62.21 H new ATOM 0 HB2 MET A 2 -0.377 -0.770 -0.386 1.00 2.43 H new ATOM 0 HB3 MET A 2 -0.060 -0.986 -2.096 1.00 2.43 H new ATOM 0 HG2 MET A 2 -1.859 0.568 -1.924 1.00 33.43 H new ATOM 0 HG3 MET A 2 -2.550 -0.936 -2.502 1.00 33.43 H new ATOM 0 HE1 MET A 2 -3.205 1.050 1.592 1.00 33.35 H new ATOM 0 HE2 MET A 2 -1.595 0.371 1.253 1.00 33.35 H new ATOM 0 HE3 MET A 2 -2.252 1.662 0.219 1.00 33.35 H new ATOM 35 N LEU A 3 -1.686 -4.515 -2.572 1.00 51.13 N ATOM 36 CA LEU A 3 -1.840 -5.249 -3.824 1.00 15.25 C ATOM 37 C LEU A 3 -3.096 -4.801 -4.566 1.00 25.40 C ATOM 38 O LEU A 3 -4.140 -4.572 -3.957 1.00 73.53 O ATOM 39 CB LEU A 3 -1.904 -6.753 -3.551 1.00 13.30 C ATOM 40 CG LEU A 3 -0.563 -7.486 -3.516 1.00 1.01 C ATOM 41 CD1 LEU A 3 0.089 -7.473 -4.890 1.00 12.41 C ATOM 42 CD2 LEU A 3 0.360 -6.861 -2.480 1.00 12.32 C ATOM 0 H LEU A 3 -2.111 -4.967 -1.763 1.00 51.13 H new ATOM 0 HA LEU A 3 -0.974 -5.036 -4.451 1.00 15.25 H new ATOM 0 HB2 LEU A 3 -2.405 -6.908 -2.595 1.00 13.30 H new ATOM 0 HB3 LEU A 3 -2.528 -7.215 -4.316 1.00 13.30 H new ATOM 0 HG LEU A 3 -0.745 -8.523 -3.233 1.00 1.01 H new ATOM 0 HD11 LEU A 3 1.042 -7.999 -4.845 1.00 12.41 H new ATOM 0 HD12 LEU A 3 -0.565 -7.968 -5.608 1.00 12.41 H new ATOM 0 HD13 LEU A 3 0.258 -6.443 -5.203 1.00 12.41 H new ATOM 0 HD21 LEU A 3 1.310 -7.396 -2.469 1.00 12.32 H new ATOM 0 HD22 LEU A 3 0.535 -5.815 -2.733 1.00 12.32 H new ATOM 0 HD23 LEU A 3 -0.103 -6.924 -1.495 1.00 12.32 H new ATOM 54 N ALA A 4 -2.985 -4.681 -5.885 1.00 12.11 N ATOM 55 CA ALA A 4 -4.112 -4.265 -6.711 1.00 20.31 C ATOM 56 C ALA A 4 -5.012 -5.449 -7.048 1.00 31.35 C ATOM 57 O ALA A 4 -4.533 -6.520 -7.421 1.00 33.44 O ATOM 58 CB ALA A 4 -3.615 -3.599 -7.985 1.00 42.21 C ATOM 0 H ALA A 4 -2.127 -4.866 -6.404 1.00 12.11 H new ATOM 0 HA ALA A 4 -4.700 -3.545 -6.143 1.00 20.31 H new ATOM 0 HB1 ALA A 4 -4.467 -3.294 -8.592 1.00 42.21 H new ATOM 0 HB2 ALA A 4 -3.019 -2.723 -7.729 1.00 42.21 H new ATOM 0 HB3 ALA A 4 -3.002 -4.303 -8.548 1.00 42.21 H new ATOM 64 N LYS A 5 -6.319 -5.250 -6.913 1.00 21.12 N ATOM 65 CA LYS A 5 -7.287 -6.301 -7.203 1.00 14.31 C ATOM 66 C LYS A 5 -8.119 -5.950 -8.433 1.00 3.22 C ATOM 67 O LYS A 5 -9.195 -5.365 -8.318 1.00 51.25 O ATOM 68 CB LYS A 5 -8.206 -6.522 -5.999 1.00 73.34 C ATOM 69 CG LYS A 5 -8.726 -5.234 -5.386 1.00 15.21 C ATOM 70 CD LYS A 5 -7.824 -4.745 -4.266 1.00 25.22 C ATOM 71 CE LYS A 5 -8.247 -5.314 -2.920 1.00 55.51 C ATOM 72 NZ LYS A 5 -7.643 -4.562 -1.785 1.00 63.34 N ATOM 0 H LYS A 5 -6.732 -4.370 -6.604 1.00 21.12 H new ATOM 0 HA LYS A 5 -6.738 -7.220 -7.407 1.00 14.31 H new ATOM 0 HB2 LYS A 5 -9.053 -7.136 -6.307 1.00 73.34 H new ATOM 0 HB3 LYS A 5 -7.665 -7.084 -5.238 1.00 73.34 H new ATOM 0 HG2 LYS A 5 -8.799 -4.467 -6.157 1.00 15.21 H new ATOM 0 HG3 LYS A 5 -9.733 -5.394 -5.000 1.00 15.21 H new ATOM 0 HD2 LYS A 5 -6.794 -5.032 -4.476 1.00 25.22 H new ATOM 0 HD3 LYS A 5 -7.850 -3.656 -4.226 1.00 25.22 H new ATOM 0 HE2 LYS A 5 -9.334 -5.284 -2.838 1.00 55.51 H new ATOM 0 HE3 LYS A 5 -7.952 -6.362 -2.860 1.00 55.51 H new ATOM 0 HZ1 LYS A 5 -7.956 -4.981 -0.886 1.00 63.34 H new ATOM 0 HZ2 LYS A 5 -6.606 -4.612 -1.848 1.00 63.34 H new ATOM 0 HZ3 LYS A 5 -7.945 -3.568 -1.827 1.00 63.34 H new ATOM 86 N GLU A 6 -7.612 -6.312 -9.607 1.00 71.52 N ATOM 87 CA GLU A 6 -8.310 -6.036 -10.857 1.00 43.34 C ATOM 88 C GLU A 6 -9.024 -7.283 -11.370 1.00 23.23 C ATOM 89 O GLU A 6 -8.444 -8.369 -11.415 1.00 14.40 O ATOM 90 CB GLU A 6 -7.327 -5.527 -11.914 1.00 24.30 C ATOM 91 CG GLU A 6 -6.300 -6.564 -12.339 1.00 3.44 C ATOM 92 CD GLU A 6 -5.124 -5.952 -13.075 1.00 3.00 C ATOM 93 OE1 GLU A 6 -5.353 -5.258 -14.088 1.00 22.25 O ATOM 94 OE2 GLU A 6 -3.974 -6.167 -12.638 1.00 23.42 O ATOM 0 H GLU A 6 -6.721 -6.797 -9.719 1.00 71.52 H new ATOM 0 HA GLU A 6 -9.056 -5.266 -10.663 1.00 43.34 H new ATOM 0 HB2 GLU A 6 -7.886 -5.201 -12.791 1.00 24.30 H new ATOM 0 HB3 GLU A 6 -6.807 -4.652 -11.524 1.00 24.30 H new ATOM 0 HG2 GLU A 6 -5.937 -7.093 -11.458 1.00 3.44 H new ATOM 0 HG3 GLU A 6 -6.780 -7.304 -12.980 1.00 3.44 H new ATOM 101 N ASP A 7 -10.285 -7.120 -11.754 1.00 1.12 N ATOM 102 CA ASP A 7 -11.079 -8.232 -12.263 1.00 50.35 C ATOM 103 C ASP A 7 -10.722 -8.534 -13.716 1.00 0.15 C ATOM 104 O ASP A 7 -10.258 -7.658 -14.446 1.00 61.44 O ATOM 105 CB ASP A 7 -12.571 -7.916 -12.147 1.00 71.12 C ATOM 106 CG ASP A 7 -12.931 -7.308 -10.806 1.00 54.21 C ATOM 107 OD1 ASP A 7 -12.792 -8.007 -9.781 1.00 63.12 O ATOM 108 OD2 ASP A 7 -13.354 -6.133 -10.782 1.00 0.35 O ATOM 0 H ASP A 7 -10.779 -6.228 -11.722 1.00 1.12 H new ATOM 0 HA ASP A 7 -10.854 -9.113 -11.661 1.00 50.35 H new ATOM 0 HB2 ASP A 7 -12.857 -7.228 -12.943 1.00 71.12 H new ATOM 0 HB3 ASP A 7 -13.146 -8.830 -12.294 1.00 71.12 H new ATOM 113 N TYR A 8 -10.940 -9.778 -14.126 1.00 74.13 N ATOM 114 CA TYR A 8 -10.638 -10.197 -15.490 1.00 14.21 C ATOM 115 C TYR A 8 -11.386 -9.335 -16.503 1.00 3.43 C ATOM 116 O TYR A 8 -10.951 -9.179 -17.644 1.00 25.40 O ATOM 117 CB TYR A 8 -11.006 -11.669 -15.687 1.00 4.41 C ATOM 118 CG TYR A 8 -10.478 -12.575 -14.598 1.00 64.33 C ATOM 119 CD1 TYR A 8 -11.271 -13.581 -14.060 1.00 22.14 C ATOM 120 CD2 TYR A 8 -9.186 -12.426 -14.108 1.00 15.04 C ATOM 121 CE1 TYR A 8 -10.793 -14.412 -13.064 1.00 51.43 C ATOM 122 CE2 TYR A 8 -8.700 -13.253 -13.114 1.00 1.33 C ATOM 123 CZ TYR A 8 -9.507 -14.244 -12.595 1.00 40.21 C ATOM 124 OH TYR A 8 -9.026 -15.068 -11.604 1.00 35.52 O ATOM 0 H TYR A 8 -11.325 -10.514 -13.534 1.00 74.13 H new ATOM 0 HA TYR A 8 -9.568 -10.072 -15.653 1.00 14.21 H new ATOM 0 HB2 TYR A 8 -12.091 -11.761 -15.730 1.00 4.41 H new ATOM 0 HB3 TYR A 8 -10.619 -12.006 -16.648 1.00 4.41 H new ATOM 0 HD1 TYR A 8 -12.278 -13.716 -14.426 1.00 22.14 H new ATOM 0 HD2 TYR A 8 -8.551 -11.651 -14.511 1.00 15.04 H new ATOM 0 HE1 TYR A 8 -11.423 -15.188 -12.656 1.00 51.43 H new ATOM 0 HE2 TYR A 8 -7.693 -13.124 -12.745 1.00 1.33 H new ATOM 0 HH TYR A 8 -9.700 -15.159 -10.898 1.00 35.52 H new ATOM 134 N TYR A 9 -12.513 -8.776 -16.076 1.00 43.43 N ATOM 135 CA TYR A 9 -13.323 -7.930 -16.945 1.00 22.10 C ATOM 136 C TYR A 9 -12.502 -6.767 -17.493 1.00 1.44 C ATOM 137 O TYR A 9 -12.524 -6.488 -18.691 1.00 50.20 O ATOM 138 CB TYR A 9 -14.538 -7.398 -16.184 1.00 54.32 C ATOM 139 CG TYR A 9 -15.401 -8.485 -15.584 1.00 52.14 C ATOM 140 CD1 TYR A 9 -15.372 -8.749 -14.221 1.00 31.42 C ATOM 141 CD2 TYR A 9 -16.246 -9.247 -16.382 1.00 34.03 C ATOM 142 CE1 TYR A 9 -16.158 -9.742 -13.669 1.00 31.31 C ATOM 143 CE2 TYR A 9 -17.037 -10.241 -15.838 1.00 51.01 C ATOM 144 CZ TYR A 9 -16.989 -10.485 -14.481 1.00 70.15 C ATOM 145 OH TYR A 9 -17.775 -11.474 -13.935 1.00 64.12 O ATOM 0 H TYR A 9 -12.886 -8.893 -15.134 1.00 43.43 H new ATOM 0 HA TYR A 9 -13.665 -8.536 -17.784 1.00 22.10 H new ATOM 0 HB2 TYR A 9 -14.196 -6.736 -15.388 1.00 54.32 H new ATOM 0 HB3 TYR A 9 -15.145 -6.796 -16.860 1.00 54.32 H new ATOM 0 HD1 TYR A 9 -14.724 -8.168 -13.582 1.00 31.42 H new ATOM 0 HD2 TYR A 9 -16.285 -9.059 -17.445 1.00 34.03 H new ATOM 0 HE1 TYR A 9 -16.122 -9.935 -12.607 1.00 31.31 H new ATOM 0 HE2 TYR A 9 -17.689 -10.824 -16.472 1.00 51.01 H new ATOM 0 HH TYR A 9 -17.993 -11.244 -13.008 1.00 64.12 H new ATOM 155 N GLN A 10 -11.778 -6.092 -16.605 1.00 32.21 N ATOM 156 CA GLN A 10 -10.950 -4.959 -16.999 1.00 3.35 C ATOM 157 C GLN A 10 -9.681 -5.430 -17.702 1.00 53.13 C ATOM 158 O GLN A 10 -9.143 -4.733 -18.563 1.00 64.52 O ATOM 159 CB GLN A 10 -10.585 -4.117 -15.774 1.00 52.04 C ATOM 160 CG GLN A 10 -11.771 -3.391 -15.160 1.00 51.34 C ATOM 161 CD GLN A 10 -11.501 -2.927 -13.743 1.00 32.15 C ATOM 162 OE1 GLN A 10 -10.481 -2.295 -13.467 1.00 64.53 O ATOM 163 NE2 GLN A 10 -12.417 -3.239 -12.833 1.00 51.20 N ATOM 0 H GLN A 10 -11.749 -6.310 -15.609 1.00 32.21 H new ATOM 0 HA GLN A 10 -11.524 -4.347 -17.695 1.00 3.35 H new ATOM 0 HB2 GLN A 10 -10.135 -4.763 -15.020 1.00 52.04 H new ATOM 0 HB3 GLN A 10 -9.829 -3.385 -16.059 1.00 52.04 H new ATOM 0 HG2 GLN A 10 -12.025 -2.530 -15.778 1.00 51.34 H new ATOM 0 HG3 GLN A 10 -12.638 -4.052 -15.163 1.00 51.34 H new ATOM 0 HE21 GLN A 10 -13.248 -3.764 -13.105 1.00 51.20 H new ATOM 0 HE22 GLN A 10 -12.289 -2.953 -11.862 1.00 51.20 H new ATOM 172 N ILE A 11 -9.210 -6.615 -17.330 1.00 62.14 N ATOM 173 CA ILE A 11 -8.005 -7.179 -17.927 1.00 13.11 C ATOM 174 C ILE A 11 -8.226 -7.516 -19.398 1.00 11.04 C ATOM 175 O ILE A 11 -7.276 -7.595 -20.177 1.00 41.24 O ATOM 176 CB ILE A 11 -7.550 -8.449 -17.184 1.00 12.45 C ATOM 177 CG1 ILE A 11 -7.280 -8.134 -15.711 1.00 23.43 C ATOM 178 CG2 ILE A 11 -6.309 -9.032 -17.843 1.00 35.33 C ATOM 179 CD1 ILE A 11 -7.056 -9.366 -14.861 1.00 55.12 C ATOM 0 H ILE A 11 -9.644 -7.203 -16.619 1.00 62.14 H new ATOM 0 HA ILE A 11 -7.227 -6.420 -17.843 1.00 13.11 H new ATOM 0 HB ILE A 11 -8.348 -9.190 -17.238 1.00 12.45 H new ATOM 0 HG12 ILE A 11 -6.404 -7.489 -15.640 1.00 23.43 H new ATOM 0 HG13 ILE A 11 -8.122 -7.572 -15.308 1.00 23.43 H new ATOM 0 HG21 ILE A 11 -6.000 -9.929 -17.307 1.00 35.33 H new ATOM 0 HG22 ILE A 11 -6.533 -9.288 -18.879 1.00 35.33 H new ATOM 0 HG23 ILE A 11 -5.504 -8.298 -17.817 1.00 35.33 H new ATOM 0 HD11 ILE A 11 -6.871 -9.067 -13.829 1.00 55.12 H new ATOM 0 HD12 ILE A 11 -7.941 -10.002 -14.901 1.00 55.12 H new ATOM 0 HD13 ILE A 11 -6.195 -9.917 -15.239 1.00 55.12 H new ATOM 191 N LEU A 12 -9.486 -7.712 -19.771 1.00 23.50 N ATOM 192 CA LEU A 12 -9.833 -8.039 -21.150 1.00 20.33 C ATOM 193 C LEU A 12 -10.582 -6.887 -21.810 1.00 55.33 C ATOM 194 O LEU A 12 -10.722 -6.843 -23.032 1.00 10.32 O ATOM 195 CB LEU A 12 -10.685 -9.309 -21.194 1.00 61.05 C ATOM 196 CG LEU A 12 -9.918 -10.630 -21.261 1.00 63.01 C ATOM 197 CD1 LEU A 12 -10.880 -11.808 -21.241 1.00 42.42 C ATOM 198 CD2 LEU A 12 -9.041 -10.676 -22.504 1.00 55.24 C ATOM 0 H LEU A 12 -10.284 -7.650 -19.138 1.00 23.50 H new ATOM 0 HA LEU A 12 -8.908 -8.210 -21.701 1.00 20.33 H new ATOM 0 HB2 LEU A 12 -11.322 -9.326 -20.309 1.00 61.05 H new ATOM 0 HB3 LEU A 12 -11.344 -9.250 -22.060 1.00 61.05 H new ATOM 0 HG LEU A 12 -9.274 -10.698 -20.384 1.00 63.01 H new ATOM 0 HD11 LEU A 12 -10.316 -12.739 -21.289 1.00 42.42 H new ATOM 0 HD12 LEU A 12 -11.464 -11.785 -20.321 1.00 42.42 H new ATOM 0 HD13 LEU A 12 -11.550 -11.745 -22.098 1.00 42.42 H new ATOM 0 HD21 LEU A 12 -8.503 -11.623 -22.535 1.00 55.24 H new ATOM 0 HD22 LEU A 12 -9.665 -10.584 -23.393 1.00 55.24 H new ATOM 0 HD23 LEU A 12 -8.326 -9.853 -22.476 1.00 55.24 H new ATOM 210 N GLY A 13 -11.062 -5.953 -20.993 1.00 64.44 N ATOM 211 CA GLY A 13 -11.789 -4.812 -21.517 1.00 11.02 C ATOM 212 C GLY A 13 -13.220 -5.154 -21.883 1.00 65.52 C ATOM 213 O GLY A 13 -13.730 -4.705 -22.910 1.00 23.53 O ATOM 0 H GLY A 13 -10.960 -5.967 -19.978 1.00 64.44 H new ATOM 0 HA2 GLY A 13 -11.788 -4.013 -20.776 1.00 11.02 H new ATOM 0 HA3 GLY A 13 -11.273 -4.430 -22.398 1.00 11.02 H new ATOM 217 N VAL A 14 -13.869 -5.954 -21.043 1.00 1.12 N ATOM 218 CA VAL A 14 -15.249 -6.357 -21.284 1.00 32.22 C ATOM 219 C VAL A 14 -16.132 -6.041 -20.082 1.00 22.34 C ATOM 220 O VAL A 14 -15.674 -5.994 -18.940 1.00 13.54 O ATOM 221 CB VAL A 14 -15.348 -7.862 -21.598 1.00 4.21 C ATOM 222 CG1 VAL A 14 -14.481 -8.215 -22.797 1.00 22.01 C ATOM 223 CG2 VAL A 14 -14.952 -8.686 -20.382 1.00 60.43 C ATOM 0 H VAL A 14 -13.461 -6.336 -20.190 1.00 1.12 H new ATOM 0 HA VAL A 14 -15.598 -5.790 -22.147 1.00 32.22 H new ATOM 0 HB VAL A 14 -16.383 -8.097 -21.847 1.00 4.21 H new ATOM 0 HG11 VAL A 14 -14.563 -9.282 -23.004 1.00 22.01 H new ATOM 0 HG12 VAL A 14 -14.815 -7.650 -23.667 1.00 22.01 H new ATOM 0 HG13 VAL A 14 -13.442 -7.967 -22.580 1.00 22.01 H new ATOM 0 HG21 VAL A 14 -15.028 -9.747 -20.621 1.00 60.43 H new ATOM 0 HG22 VAL A 14 -13.926 -8.450 -20.101 1.00 60.43 H new ATOM 0 HG23 VAL A 14 -15.619 -8.453 -19.552 1.00 60.43 H new ATOM 233 N PRO A 15 -17.429 -5.821 -20.342 1.00 0.43 N ATOM 234 CA PRO A 15 -18.404 -5.506 -19.293 1.00 73.33 C ATOM 235 C PRO A 15 -18.688 -6.701 -18.389 1.00 0.33 C ATOM 236 O PRO A 15 -18.199 -7.804 -18.631 1.00 32.45 O ATOM 237 CB PRO A 15 -19.659 -5.122 -20.080 1.00 55.44 C ATOM 238 CG PRO A 15 -19.518 -5.824 -21.386 1.00 71.43 C ATOM 239 CD PRO A 15 -18.044 -5.861 -21.679 1.00 64.32 C ATOM 0 HA PRO A 15 -18.046 -4.722 -18.625 1.00 73.33 H new ATOM 0 HB2 PRO A 15 -20.564 -5.434 -19.559 1.00 55.44 H new ATOM 0 HB3 PRO A 15 -19.726 -4.043 -20.216 1.00 55.44 H new ATOM 0 HG2 PRO A 15 -19.931 -6.831 -21.334 1.00 71.43 H new ATOM 0 HG3 PRO A 15 -20.059 -5.298 -22.172 1.00 71.43 H new ATOM 0 HD2 PRO A 15 -17.765 -6.764 -22.223 1.00 64.32 H new ATOM 0 HD3 PRO A 15 -17.734 -5.013 -22.289 1.00 64.32 H new ATOM 247 N ARG A 16 -19.481 -6.473 -17.347 1.00 2.33 N ATOM 248 CA ARG A 16 -19.829 -7.530 -16.406 1.00 23.44 C ATOM 249 C ARG A 16 -20.922 -8.429 -16.977 1.00 44.13 C ATOM 250 O ARG A 16 -21.251 -9.465 -16.401 1.00 54.33 O ATOM 251 CB ARG A 16 -20.291 -6.929 -15.077 1.00 52.34 C ATOM 252 CG ARG A 16 -19.238 -6.069 -14.399 1.00 3.24 C ATOM 253 CD ARG A 16 -19.870 -5.023 -13.493 1.00 74.45 C ATOM 254 NE ARG A 16 -18.985 -4.641 -12.397 1.00 10.12 N ATOM 255 CZ ARG A 16 -18.731 -5.420 -11.351 1.00 61.25 C ATOM 256 NH1 ARG A 16 -19.292 -6.618 -11.262 1.00 24.33 N ATOM 257 NH2 ARG A 16 -17.914 -5.002 -10.393 1.00 42.44 N ATOM 0 H ARG A 16 -19.894 -5.565 -17.133 1.00 2.33 H new ATOM 0 HA ARG A 16 -18.939 -8.134 -16.233 1.00 23.44 H new ATOM 0 HB2 ARG A 16 -21.183 -6.327 -15.251 1.00 52.34 H new ATOM 0 HB3 ARG A 16 -20.578 -7.736 -14.403 1.00 52.34 H new ATOM 0 HG2 ARG A 16 -18.571 -6.702 -13.815 1.00 3.24 H new ATOM 0 HG3 ARG A 16 -18.628 -5.576 -15.155 1.00 3.24 H new ATOM 0 HD2 ARG A 16 -20.122 -4.140 -14.080 1.00 74.45 H new ATOM 0 HD3 ARG A 16 -20.803 -5.412 -13.086 1.00 74.45 H new ATOM 0 HE ARG A 16 -18.537 -3.726 -12.436 1.00 10.12 H new ATOM 0 HH11 ARG A 16 -19.920 -6.943 -11.997 1.00 24.33 H new ATOM 0 HH12 ARG A 16 -19.096 -7.215 -10.458 1.00 24.33 H new ATOM 0 HH21 ARG A 16 -17.480 -4.081 -10.459 1.00 42.44 H new ATOM 0 HH22 ARG A 16 -17.720 -5.601 -9.591 1.00 42.44 H new ATOM 271 N ASN A 17 -21.479 -8.024 -18.114 1.00 14.35 N ATOM 272 CA ASN A 17 -22.536 -8.791 -18.763 1.00 21.44 C ATOM 273 C ASN A 17 -22.068 -9.328 -20.112 1.00 51.42 C ATOM 274 O ASN A 17 -22.846 -9.920 -20.859 1.00 63.53 O ATOM 275 CB ASN A 17 -23.783 -7.925 -18.950 1.00 20.00 C ATOM 276 CG ASN A 17 -23.468 -6.591 -19.598 1.00 41.30 C ATOM 277 OD1 ASN A 17 -22.582 -6.494 -20.447 1.00 62.32 O ATOM 278 ND2 ASN A 17 -24.194 -5.553 -19.199 1.00 32.12 N ATOM 0 H ASN A 17 -21.216 -7.169 -18.605 1.00 14.35 H new ATOM 0 HA ASN A 17 -22.783 -9.637 -18.121 1.00 21.44 H new ATOM 0 HB2 ASN A 17 -24.506 -8.462 -19.563 1.00 20.00 H new ATOM 0 HB3 ASN A 17 -24.252 -7.754 -17.981 1.00 20.00 H new ATOM 0 HD21 ASN A 17 -24.027 -4.630 -19.599 1.00 32.12 H new ATOM 0 HD22 ASN A 17 -24.919 -5.679 -18.492 1.00 32.12 H new ATOM 285 N ALA A 18 -20.792 -9.115 -20.417 1.00 71.20 N ATOM 286 CA ALA A 18 -20.220 -9.579 -21.675 1.00 23.13 C ATOM 287 C ALA A 18 -20.472 -11.070 -21.876 1.00 4.42 C ATOM 288 O ALA A 18 -20.739 -11.798 -20.920 1.00 54.04 O ATOM 289 CB ALA A 18 -18.728 -9.284 -21.716 1.00 43.33 C ATOM 0 H ALA A 18 -20.135 -8.624 -19.810 1.00 71.20 H new ATOM 0 HA ALA A 18 -20.708 -9.042 -22.488 1.00 23.13 H new ATOM 0 HB1 ALA A 18 -18.313 -9.636 -22.661 1.00 43.33 H new ATOM 0 HB2 ALA A 18 -18.567 -8.210 -21.627 1.00 43.33 H new ATOM 0 HB3 ALA A 18 -18.233 -9.795 -20.890 1.00 43.33 H new ATOM 295 N SER A 19 -20.385 -11.517 -23.125 1.00 4.54 N ATOM 296 CA SER A 19 -20.608 -12.920 -23.451 1.00 63.04 C ATOM 297 C SER A 19 -19.294 -13.611 -23.804 1.00 72.15 C ATOM 298 O SER A 19 -18.321 -12.960 -24.183 1.00 1.11 O ATOM 299 CB SER A 19 -21.592 -13.044 -24.616 1.00 64.14 C ATOM 300 OG SER A 19 -21.437 -11.973 -25.531 1.00 3.20 O ATOM 0 H SER A 19 -20.162 -10.928 -23.927 1.00 4.54 H new ATOM 0 HA SER A 19 -21.031 -13.409 -22.574 1.00 63.04 H new ATOM 0 HB2 SER A 19 -21.434 -13.992 -25.131 1.00 64.14 H new ATOM 0 HB3 SER A 19 -22.613 -13.055 -24.234 1.00 64.14 H new ATOM 0 HG SER A 19 -22.076 -12.076 -26.267 1.00 3.20 H new ATOM 306 N GLN A 20 -19.276 -14.934 -23.677 1.00 40.13 N ATOM 307 CA GLN A 20 -18.082 -15.714 -23.982 1.00 52.21 C ATOM 308 C GLN A 20 -17.565 -15.393 -25.380 1.00 61.25 C ATOM 309 O GLN A 20 -16.369 -15.501 -25.652 1.00 22.33 O ATOM 310 CB GLN A 20 -18.381 -17.210 -23.867 1.00 13.55 C ATOM 311 CG GLN A 20 -19.099 -17.589 -22.581 1.00 65.01 C ATOM 312 CD GLN A 20 -18.434 -17.007 -21.349 1.00 34.43 C ATOM 313 OE1 GLN A 20 -17.324 -17.607 -20.935 1.00 11.22 O flip ATOM 314 NE2 GLN A 20 -18.914 -16.030 -20.774 1.00 71.15 N flip ATOM 0 H GLN A 20 -20.074 -15.488 -23.365 1.00 40.13 H new ATOM 0 HA GLN A 20 -17.311 -15.448 -23.259 1.00 52.21 H new ATOM 0 HB2 GLN A 20 -18.990 -17.517 -24.717 1.00 13.55 H new ATOM 0 HB3 GLN A 20 -17.445 -17.765 -23.928 1.00 13.55 H new ATOM 0 HG2 GLN A 20 -20.131 -17.243 -22.630 1.00 65.01 H new ATOM 0 HG3 GLN A 20 -19.131 -18.675 -22.493 1.00 65.01 H new ATOM 0 HE21 GLN A 20 -19.769 -15.600 -21.127 1.00 71.15 H new ATOM 0 HE22 GLN A 20 -18.457 -15.651 -19.945 1.00 71.15 H new ATOM 323 N LYS A 21 -18.473 -14.998 -26.266 1.00 35.50 N ATOM 324 CA LYS A 21 -18.110 -14.661 -27.637 1.00 52.21 C ATOM 325 C LYS A 21 -17.424 -13.300 -27.699 1.00 12.22 C ATOM 326 O LYS A 21 -16.358 -13.159 -28.296 1.00 63.41 O ATOM 327 CB LYS A 21 -19.353 -14.658 -28.530 1.00 31.30 C ATOM 328 CG LYS A 21 -20.150 -15.949 -28.466 1.00 74.52 C ATOM 329 CD LYS A 21 -21.417 -15.864 -29.301 1.00 33.32 C ATOM 330 CE LYS A 21 -22.463 -16.863 -28.830 1.00 14.14 C ATOM 331 NZ LYS A 21 -23.843 -16.429 -29.183 1.00 73.14 N ATOM 0 H LYS A 21 -19.467 -14.903 -26.058 1.00 35.50 H new ATOM 0 HA LYS A 21 -17.413 -15.417 -27.998 1.00 52.21 H new ATOM 0 HB2 LYS A 21 -19.997 -13.828 -28.239 1.00 31.30 H new ATOM 0 HB3 LYS A 21 -19.049 -14.479 -29.561 1.00 31.30 H new ATOM 0 HG2 LYS A 21 -19.534 -16.776 -28.820 1.00 74.52 H new ATOM 0 HG3 LYS A 21 -20.410 -16.166 -27.430 1.00 74.52 H new ATOM 0 HD2 LYS A 21 -21.825 -14.855 -29.244 1.00 33.32 H new ATOM 0 HD3 LYS A 21 -21.178 -16.052 -30.348 1.00 33.32 H new ATOM 0 HE2 LYS A 21 -22.263 -17.837 -29.278 1.00 14.14 H new ATOM 0 HE3 LYS A 21 -22.386 -16.987 -27.750 1.00 14.14 H new ATOM 0 HZ1 LYS A 21 -24.526 -17.136 -28.845 1.00 73.14 H new ATOM 0 HZ2 LYS A 21 -24.044 -15.512 -28.735 1.00 73.14 H new ATOM 0 HZ3 LYS A 21 -23.924 -16.335 -30.216 1.00 73.14 H new ATOM 345 N GLU A 22 -18.043 -12.301 -27.076 1.00 71.44 N ATOM 346 CA GLU A 22 -17.490 -10.952 -27.061 1.00 73.10 C ATOM 347 C GLU A 22 -16.129 -10.930 -26.373 1.00 4.13 C ATOM 348 O GLU A 22 -15.246 -10.157 -26.746 1.00 4.14 O ATOM 349 CB GLU A 22 -18.448 -9.993 -26.352 1.00 13.43 C ATOM 350 CG GLU A 22 -17.935 -8.565 -26.277 1.00 3.42 C ATOM 351 CD GLU A 22 -17.781 -7.927 -27.644 1.00 75.32 C ATOM 352 OE1 GLU A 22 -18.214 -8.547 -28.639 1.00 22.03 O ATOM 353 OE2 GLU A 22 -17.230 -6.810 -27.720 1.00 45.22 O ATOM 0 H GLU A 22 -18.926 -12.401 -26.576 1.00 71.44 H new ATOM 0 HA GLU A 22 -17.361 -10.628 -28.094 1.00 73.10 H new ATOM 0 HB2 GLU A 22 -19.406 -9.999 -26.872 1.00 13.43 H new ATOM 0 HB3 GLU A 22 -18.632 -10.358 -25.341 1.00 13.43 H new ATOM 0 HG2 GLU A 22 -18.621 -7.968 -25.677 1.00 3.42 H new ATOM 0 HG3 GLU A 22 -16.973 -8.555 -25.765 1.00 3.42 H new ATOM 360 N ILE A 23 -15.967 -11.782 -25.366 1.00 61.45 N ATOM 361 CA ILE A 23 -14.714 -11.861 -24.627 1.00 24.25 C ATOM 362 C ILE A 23 -13.594 -12.416 -25.500 1.00 25.11 C ATOM 363 O ILE A 23 -12.430 -12.042 -25.350 1.00 13.33 O ATOM 364 CB ILE A 23 -14.855 -12.743 -23.371 1.00 53.55 C ATOM 365 CG1 ILE A 23 -15.873 -12.133 -22.406 1.00 15.23 C ATOM 366 CG2 ILE A 23 -13.506 -12.913 -22.689 1.00 72.32 C ATOM 367 CD1 ILE A 23 -16.325 -13.087 -21.322 1.00 50.22 C ATOM 0 H ILE A 23 -16.688 -12.427 -25.044 1.00 61.45 H new ATOM 0 HA ILE A 23 -14.464 -10.845 -24.322 1.00 24.25 H new ATOM 0 HB ILE A 23 -15.213 -13.727 -23.674 1.00 53.55 H new ATOM 0 HG12 ILE A 23 -15.437 -11.249 -21.942 1.00 15.23 H new ATOM 0 HG13 ILE A 23 -16.743 -11.800 -22.971 1.00 15.23 H new ATOM 0 HG21 ILE A 23 -13.622 -13.538 -21.804 1.00 72.32 H new ATOM 0 HG22 ILE A 23 -12.807 -13.386 -23.378 1.00 72.32 H new ATOM 0 HG23 ILE A 23 -13.121 -11.936 -22.395 1.00 72.32 H new ATOM 0 HD11 ILE A 23 -17.046 -12.587 -20.675 1.00 50.22 H new ATOM 0 HD12 ILE A 23 -16.791 -13.961 -21.777 1.00 50.22 H new ATOM 0 HD13 ILE A 23 -15.464 -13.401 -20.732 1.00 50.22 H new ATOM 379 N LYS A 24 -13.952 -13.310 -26.415 1.00 31.31 N ATOM 380 CA LYS A 24 -12.979 -13.916 -27.316 1.00 41.12 C ATOM 381 C LYS A 24 -12.350 -12.864 -28.224 1.00 52.13 C ATOM 382 O LYS A 24 -11.154 -12.911 -28.511 1.00 62.32 O ATOM 383 CB LYS A 24 -13.645 -15.003 -28.162 1.00 64.44 C ATOM 384 CG LYS A 24 -13.242 -16.414 -27.767 1.00 42.40 C ATOM 385 CD LYS A 24 -13.788 -17.444 -28.741 1.00 53.54 C ATOM 386 CE LYS A 24 -14.993 -18.171 -28.165 1.00 72.34 C ATOM 387 NZ LYS A 24 -15.345 -19.379 -28.963 1.00 11.14 N ATOM 0 H LYS A 24 -14.910 -13.631 -26.552 1.00 31.31 H new ATOM 0 HA LYS A 24 -12.192 -14.366 -26.711 1.00 41.12 H new ATOM 0 HB2 LYS A 24 -14.727 -14.906 -28.077 1.00 64.44 H new ATOM 0 HB3 LYS A 24 -13.392 -14.842 -29.210 1.00 64.44 H new ATOM 0 HG2 LYS A 24 -12.155 -16.486 -27.731 1.00 42.40 H new ATOM 0 HG3 LYS A 24 -13.609 -16.631 -26.764 1.00 42.40 H new ATOM 0 HD2 LYS A 24 -14.069 -16.953 -29.672 1.00 53.54 H new ATOM 0 HD3 LYS A 24 -13.008 -18.166 -28.984 1.00 53.54 H new ATOM 0 HE2 LYS A 24 -14.783 -18.464 -27.136 1.00 72.34 H new ATOM 0 HE3 LYS A 24 -15.846 -17.493 -28.136 1.00 72.34 H new ATOM 0 HZ1 LYS A 24 -16.171 -19.847 -28.538 1.00 11.14 H new ATOM 0 HZ2 LYS A 24 -15.570 -19.097 -29.938 1.00 11.14 H new ATOM 0 HZ3 LYS A 24 -14.540 -20.037 -28.970 1.00 11.14 H new ATOM 401 N LYS A 25 -13.164 -11.914 -28.673 1.00 45.11 N ATOM 402 CA LYS A 25 -12.687 -10.848 -29.547 1.00 13.05 C ATOM 403 C LYS A 25 -11.812 -9.864 -28.777 1.00 11.03 C ATOM 404 O LYS A 25 -10.731 -9.492 -29.233 1.00 15.22 O ATOM 405 CB LYS A 25 -13.871 -10.110 -30.176 1.00 44.34 C ATOM 406 CG LYS A 25 -14.617 -10.930 -31.214 1.00 65.24 C ATOM 407 CD LYS A 25 -16.007 -10.373 -31.472 1.00 24.24 C ATOM 408 CE LYS A 25 -15.980 -9.268 -32.516 1.00 43.03 C ATOM 409 NZ LYS A 25 -15.615 -7.952 -31.922 1.00 55.12 N ATOM 0 H LYS A 25 -14.157 -11.861 -28.446 1.00 45.11 H new ATOM 0 HA LYS A 25 -12.087 -11.300 -30.337 1.00 13.05 H new ATOM 0 HB2 LYS A 25 -14.566 -9.817 -29.389 1.00 44.34 H new ATOM 0 HB3 LYS A 25 -13.511 -9.192 -30.641 1.00 44.34 H new ATOM 0 HG2 LYS A 25 -14.050 -10.942 -32.145 1.00 65.24 H new ATOM 0 HG3 LYS A 25 -14.695 -11.963 -30.875 1.00 65.24 H new ATOM 0 HD2 LYS A 25 -16.665 -11.175 -31.807 1.00 24.24 H new ATOM 0 HD3 LYS A 25 -16.423 -9.986 -30.542 1.00 24.24 H new ATOM 0 HE2 LYS A 25 -15.265 -9.524 -33.298 1.00 43.03 H new ATOM 0 HE3 LYS A 25 -16.958 -9.193 -32.991 1.00 43.03 H new ATOM 0 HZ1 LYS A 25 -16.085 -7.190 -32.452 1.00 55.12 H new ATOM 0 HZ2 LYS A 25 -15.921 -7.923 -30.928 1.00 55.12 H new ATOM 0 HZ3 LYS A 25 -14.584 -7.823 -31.971 1.00 55.12 H new ATOM 423 N ALA A 26 -12.286 -9.448 -27.607 1.00 3.22 N ATOM 424 CA ALA A 26 -11.544 -8.510 -26.773 1.00 35.15 C ATOM 425 C ALA A 26 -10.188 -9.082 -26.375 1.00 60.44 C ATOM 426 O ALA A 26 -9.221 -8.343 -26.191 1.00 11.30 O ATOM 427 CB ALA A 26 -12.352 -8.153 -25.533 1.00 73.55 C ATOM 0 H ALA A 26 -13.180 -9.745 -27.215 1.00 3.22 H new ATOM 0 HA ALA A 26 -11.371 -7.605 -27.355 1.00 35.15 H new ATOM 0 HB1 ALA A 26 -11.786 -7.452 -24.919 1.00 73.55 H new ATOM 0 HB2 ALA A 26 -13.294 -7.694 -25.832 1.00 73.55 H new ATOM 0 HB3 ALA A 26 -12.555 -9.057 -24.958 1.00 73.55 H new ATOM 433 N TYR A 27 -10.124 -10.403 -26.245 1.00 3.34 N ATOM 434 CA TYR A 27 -8.886 -11.074 -25.866 1.00 2.21 C ATOM 435 C TYR A 27 -7.886 -11.063 -27.018 1.00 62.11 C ATOM 436 O TYR A 27 -6.677 -10.965 -26.805 1.00 71.32 O ATOM 437 CB TYR A 27 -9.172 -12.514 -25.438 1.00 73.21 C ATOM 438 CG TYR A 27 -7.925 -13.345 -25.236 1.00 74.32 C ATOM 439 CD1 TYR A 27 -6.926 -12.933 -24.363 1.00 34.44 C ATOM 440 CD2 TYR A 27 -7.746 -14.541 -25.920 1.00 23.55 C ATOM 441 CE1 TYR A 27 -5.785 -13.689 -24.175 1.00 51.04 C ATOM 442 CE2 TYR A 27 -6.608 -15.304 -25.737 1.00 74.24 C ATOM 443 CZ TYR A 27 -5.631 -14.874 -24.865 1.00 10.34 C ATOM 444 OH TYR A 27 -4.496 -15.630 -24.682 1.00 10.14 O ATOM 0 H TYR A 27 -10.914 -11.030 -26.396 1.00 3.34 H new ATOM 0 HA TYR A 27 -8.451 -10.532 -25.026 1.00 2.21 H new ATOM 0 HB2 TYR A 27 -9.744 -12.502 -24.510 1.00 73.21 H new ATOM 0 HB3 TYR A 27 -9.798 -12.991 -26.192 1.00 73.21 H new ATOM 0 HD1 TYR A 27 -7.043 -12.006 -23.822 1.00 34.44 H new ATOM 0 HD2 TYR A 27 -8.508 -14.880 -26.606 1.00 23.55 H new ATOM 0 HE1 TYR A 27 -5.018 -13.354 -23.492 1.00 51.04 H new ATOM 0 HE2 TYR A 27 -6.485 -16.233 -26.275 1.00 74.24 H new ATOM 0 HH TYR A 27 -4.545 -16.434 -25.241 1.00 10.14 H new ATOM 454 N TYR A 28 -8.399 -11.164 -28.239 1.00 52.40 N ATOM 455 CA TYR A 28 -7.553 -11.167 -29.426 1.00 63.42 C ATOM 456 C TYR A 28 -7.036 -9.765 -29.731 1.00 41.32 C ATOM 457 O TYR A 28 -5.845 -9.570 -29.975 1.00 34.21 O ATOM 458 CB TYR A 28 -8.327 -11.710 -30.629 1.00 22.45 C ATOM 459 CG TYR A 28 -7.549 -11.657 -31.924 1.00 2.21 C ATOM 460 CD1 TYR A 28 -8.058 -10.999 -33.037 1.00 12.04 C ATOM 461 CD2 TYR A 28 -6.304 -12.263 -32.035 1.00 24.53 C ATOM 462 CE1 TYR A 28 -7.351 -10.948 -34.222 1.00 71.32 C ATOM 463 CE2 TYR A 28 -5.589 -12.217 -33.216 1.00 2.40 C ATOM 464 CZ TYR A 28 -6.117 -11.558 -34.307 1.00 21.31 C ATOM 465 OH TYR A 28 -5.409 -11.509 -35.486 1.00 2.22 O ATOM 0 H TYR A 28 -9.397 -11.245 -28.433 1.00 52.40 H new ATOM 0 HA TYR A 28 -6.699 -11.815 -29.229 1.00 63.42 H new ATOM 0 HB2 TYR A 28 -8.614 -12.742 -30.430 1.00 22.45 H new ATOM 0 HB3 TYR A 28 -9.249 -11.139 -30.745 1.00 22.45 H new ATOM 0 HD1 TYR A 28 -9.023 -10.519 -32.974 1.00 12.04 H new ATOM 0 HD2 TYR A 28 -5.888 -12.779 -31.183 1.00 24.53 H new ATOM 0 HE1 TYR A 28 -7.762 -10.433 -35.078 1.00 71.32 H new ATOM 0 HE2 TYR A 28 -4.623 -12.694 -33.285 1.00 2.40 H new ATOM 0 HH TYR A 28 -4.560 -11.986 -35.378 1.00 2.22 H new ATOM 475 N GLN A 29 -7.941 -8.791 -29.715 1.00 23.32 N ATOM 476 CA GLN A 29 -7.577 -7.406 -29.990 1.00 20.34 C ATOM 477 C GLN A 29 -6.541 -6.907 -28.989 1.00 5.35 C ATOM 478 O GLN A 29 -5.669 -6.105 -29.329 1.00 34.14 O ATOM 479 CB GLN A 29 -8.818 -6.513 -29.946 1.00 2.32 C ATOM 480 CG GLN A 29 -9.306 -6.218 -28.537 1.00 31.43 C ATOM 481 CD GLN A 29 -10.493 -5.276 -28.515 1.00 52.24 C ATOM 482 OE1 GLN A 29 -10.384 -4.132 -28.073 1.00 52.34 O ATOM 483 NE2 GLN A 29 -11.636 -5.752 -28.994 1.00 74.14 N ATOM 0 H GLN A 29 -8.931 -8.936 -29.515 1.00 23.32 H new ATOM 0 HA GLN A 29 -7.141 -7.362 -30.988 1.00 20.34 H new ATOM 0 HB2 GLN A 29 -8.596 -5.572 -30.449 1.00 2.32 H new ATOM 0 HB3 GLN A 29 -9.620 -6.993 -30.506 1.00 2.32 H new ATOM 0 HG2 GLN A 29 -9.580 -7.153 -28.049 1.00 31.43 H new ATOM 0 HG3 GLN A 29 -8.491 -5.783 -27.958 1.00 31.43 H new ATOM 0 HE21 GLN A 29 -11.681 -6.707 -29.351 1.00 74.14 H new ATOM 0 HE22 GLN A 29 -12.469 -5.163 -29.005 1.00 74.14 H new ATOM 492 N LEU A 30 -6.640 -7.385 -27.753 1.00 54.31 N ATOM 493 CA LEU A 30 -5.711 -6.986 -26.701 1.00 73.43 C ATOM 494 C LEU A 30 -4.342 -7.624 -26.914 1.00 31.00 C ATOM 495 O LEU A 30 -3.311 -6.981 -26.724 1.00 5.44 O ATOM 496 CB LEU A 30 -6.263 -7.381 -25.330 1.00 62.11 C ATOM 497 CG LEU A 30 -6.688 -6.228 -24.421 1.00 13.15 C ATOM 498 CD1 LEU A 30 -7.640 -5.294 -25.152 1.00 71.30 C ATOM 499 CD2 LEU A 30 -7.333 -6.761 -23.150 1.00 31.25 C ATOM 0 H LEU A 30 -7.354 -8.049 -27.455 1.00 54.31 H new ATOM 0 HA LEU A 30 -5.597 -5.903 -26.742 1.00 73.43 H new ATOM 0 HB2 LEU A 30 -7.122 -8.034 -25.481 1.00 62.11 H new ATOM 0 HB3 LEU A 30 -5.505 -7.967 -24.810 1.00 62.11 H new ATOM 0 HG LEU A 30 -5.798 -5.663 -24.144 1.00 13.15 H new ATOM 0 HD11 LEU A 30 -7.931 -4.480 -24.489 1.00 71.30 H new ATOM 0 HD12 LEU A 30 -7.144 -4.885 -26.032 1.00 71.30 H new ATOM 0 HD13 LEU A 30 -8.528 -5.847 -25.459 1.00 71.30 H new ATOM 0 HD21 LEU A 30 -7.629 -5.926 -22.515 1.00 31.25 H new ATOM 0 HD22 LEU A 30 -8.213 -7.351 -23.408 1.00 31.25 H new ATOM 0 HD23 LEU A 30 -6.620 -7.388 -22.615 1.00 31.25 H new ATOM 511 N ALA A 31 -4.341 -8.892 -27.312 1.00 21.01 N ATOM 512 CA ALA A 31 -3.099 -9.615 -27.555 1.00 20.31 C ATOM 513 C ALA A 31 -2.244 -8.903 -28.597 1.00 5.30 C ATOM 514 O ALA A 31 -1.036 -8.741 -28.419 1.00 61.44 O ATOM 515 CB ALA A 31 -3.396 -11.040 -27.998 1.00 71.21 C ATOM 0 H ALA A 31 -5.186 -9.440 -27.473 1.00 21.01 H new ATOM 0 HA ALA A 31 -2.537 -9.646 -26.622 1.00 20.31 H new ATOM 0 HB1 ALA A 31 -2.459 -11.568 -28.176 1.00 71.21 H new ATOM 0 HB2 ALA A 31 -3.960 -11.553 -27.219 1.00 71.21 H new ATOM 0 HB3 ALA A 31 -3.982 -11.021 -28.917 1.00 71.21 H new ATOM 521 N LYS A 32 -2.877 -8.478 -29.685 1.00 64.13 N ATOM 522 CA LYS A 32 -2.174 -7.782 -30.757 1.00 14.22 C ATOM 523 C LYS A 32 -1.462 -6.542 -30.225 1.00 34.10 C ATOM 524 O LYS A 32 -0.481 -6.079 -30.807 1.00 31.31 O ATOM 525 CB LYS A 32 -3.155 -7.385 -31.863 1.00 4.20 C ATOM 526 CG LYS A 32 -3.738 -8.570 -32.613 1.00 2.11 C ATOM 527 CD LYS A 32 -5.171 -8.307 -33.044 1.00 1.41 C ATOM 528 CE LYS A 32 -5.226 -7.496 -34.330 1.00 32.02 C ATOM 529 NZ LYS A 32 -4.997 -8.345 -35.531 1.00 63.52 N ATOM 0 H LYS A 32 -3.876 -8.603 -29.848 1.00 64.13 H new ATOM 0 HA LYS A 32 -1.426 -8.460 -31.168 1.00 14.22 H new ATOM 0 HB2 LYS A 32 -3.969 -6.807 -31.425 1.00 4.20 H new ATOM 0 HB3 LYS A 32 -2.646 -6.732 -32.572 1.00 4.20 H new ATOM 0 HG2 LYS A 32 -3.127 -8.783 -33.490 1.00 2.11 H new ATOM 0 HG3 LYS A 32 -3.705 -9.456 -31.978 1.00 2.11 H new ATOM 0 HD2 LYS A 32 -5.689 -9.255 -33.188 1.00 1.41 H new ATOM 0 HD3 LYS A 32 -5.698 -7.773 -32.253 1.00 1.41 H new ATOM 0 HE2 LYS A 32 -6.197 -7.008 -34.410 1.00 32.02 H new ATOM 0 HE3 LYS A 32 -4.475 -6.707 -34.294 1.00 32.02 H new ATOM 0 HZ1 LYS A 32 -5.615 -8.026 -36.305 1.00 63.52 H new ATOM 0 HZ2 LYS A 32 -4.003 -8.267 -35.827 1.00 63.52 H new ATOM 0 HZ3 LYS A 32 -5.213 -9.336 -35.302 1.00 63.52 H new ATOM 543 N LYS A 33 -1.962 -6.009 -29.115 1.00 62.00 N ATOM 544 CA LYS A 33 -1.372 -4.825 -28.502 1.00 54.52 C ATOM 545 C LYS A 33 -0.083 -5.177 -27.767 1.00 13.41 C ATOM 546 O LYS A 33 0.897 -4.434 -27.822 1.00 41.24 O ATOM 547 CB LYS A 33 -2.365 -4.179 -27.533 1.00 31.24 C ATOM 548 CG LYS A 33 -3.754 -3.993 -28.119 1.00 31.15 C ATOM 549 CD LYS A 33 -4.452 -2.781 -27.525 1.00 43.43 C ATOM 550 CE LYS A 33 -4.278 -1.552 -28.405 1.00 2.23 C ATOM 551 NZ LYS A 33 -3.033 -0.805 -28.074 1.00 44.12 N ATOM 0 H LYS A 33 -2.775 -6.379 -28.622 1.00 62.00 H new ATOM 0 HA LYS A 33 -1.134 -4.116 -29.295 1.00 54.52 H new ATOM 0 HB2 LYS A 33 -2.438 -4.795 -26.636 1.00 31.24 H new ATOM 0 HB3 LYS A 33 -1.978 -3.208 -27.223 1.00 31.24 H new ATOM 0 HG2 LYS A 33 -3.681 -3.878 -29.201 1.00 31.15 H new ATOM 0 HG3 LYS A 33 -4.351 -4.886 -27.933 1.00 31.15 H new ATOM 0 HD2 LYS A 33 -5.514 -2.995 -27.402 1.00 43.43 H new ATOM 0 HD3 LYS A 33 -4.051 -2.579 -26.532 1.00 43.43 H new ATOM 0 HE2 LYS A 33 -4.252 -1.855 -29.452 1.00 2.23 H new ATOM 0 HE3 LYS A 33 -5.139 -0.894 -28.285 1.00 2.23 H new ATOM 0 HZ1 LYS A 33 -3.026 0.101 -28.584 1.00 44.12 H new ATOM 0 HZ2 LYS A 33 -2.997 -0.626 -27.050 1.00 44.12 H new ATOM 0 HZ3 LYS A 33 -2.205 -1.368 -28.356 1.00 44.12 H new ATOM 565 N TYR A 34 -0.091 -6.314 -27.080 1.00 51.33 N ATOM 566 CA TYR A 34 1.078 -6.763 -26.333 1.00 74.53 C ATOM 567 C TYR A 34 1.842 -7.832 -27.109 1.00 42.54 C ATOM 568 O TYR A 34 2.572 -8.635 -26.528 1.00 21.10 O ATOM 569 CB TYR A 34 0.657 -7.312 -24.969 1.00 12.12 C ATOM 570 CG TYR A 34 -0.095 -6.312 -24.120 1.00 2.42 C ATOM 571 CD1 TYR A 34 0.582 -5.444 -23.271 1.00 60.02 C ATOM 572 CD2 TYR A 34 -1.481 -6.235 -24.165 1.00 52.53 C ATOM 573 CE1 TYR A 34 -0.100 -4.529 -22.493 1.00 53.20 C ATOM 574 CE2 TYR A 34 -2.172 -5.322 -23.392 1.00 4.41 C ATOM 575 CZ TYR A 34 -1.477 -4.471 -22.557 1.00 62.23 C ATOM 576 OH TYR A 34 -2.161 -3.561 -21.784 1.00 71.32 O ATOM 0 H TYR A 34 -0.893 -6.941 -27.025 1.00 51.33 H new ATOM 0 HA TYR A 34 1.735 -5.906 -26.186 1.00 74.53 H new ATOM 0 HB2 TYR A 34 0.032 -8.192 -25.118 1.00 12.12 H new ATOM 0 HB3 TYR A 34 1.545 -7.640 -24.429 1.00 12.12 H new ATOM 0 HD1 TYR A 34 1.660 -5.486 -23.219 1.00 60.02 H new ATOM 0 HD2 TYR A 34 -2.028 -6.901 -24.816 1.00 52.53 H new ATOM 0 HE1 TYR A 34 0.442 -3.863 -21.838 1.00 53.20 H new ATOM 0 HE2 TYR A 34 -3.250 -5.275 -23.441 1.00 4.41 H new ATOM 0 HH TYR A 34 -3.123 -3.650 -21.948 1.00 71.32 H new ATOM 586 N HIS A 35 1.670 -7.833 -28.427 1.00 73.44 N ATOM 587 CA HIS A 35 2.344 -8.801 -29.285 1.00 71.33 C ATOM 588 C HIS A 35 3.858 -8.633 -29.209 1.00 4.13 C ATOM 589 O HIS A 35 4.372 -7.590 -28.802 1.00 34.54 O ATOM 590 CB HIS A 35 1.874 -8.646 -30.732 1.00 64.21 C ATOM 591 CG HIS A 35 0.963 -9.744 -31.187 1.00 61.20 C ATOM 592 ND1 HIS A 35 0.117 -10.422 -30.335 1.00 10.34 N ATOM 593 CD2 HIS A 35 0.767 -10.281 -32.414 1.00 40.32 C ATOM 594 CE1 HIS A 35 -0.559 -11.329 -31.017 1.00 42.54 C ATOM 595 NE2 HIS A 35 -0.183 -11.263 -32.282 1.00 72.20 N ATOM 0 H HIS A 35 1.070 -7.175 -28.924 1.00 73.44 H new ATOM 0 HA HIS A 35 2.089 -9.801 -28.933 1.00 71.33 H new ATOM 0 HB2 HIS A 35 1.359 -7.691 -30.838 1.00 64.21 H new ATOM 0 HB3 HIS A 35 2.745 -8.613 -31.387 1.00 64.21 H new ATOM 0 HD1 HIS A 35 0.027 -10.250 -29.334 1.00 10.34 H new ATOM 0 HD2 HIS A 35 1.265 -9.991 -33.327 1.00 40.32 H new ATOM 0 HE1 HIS A 35 -1.293 -12.008 -30.610 1.00 42.54 H new ATOM 603 N PRO A 36 4.592 -9.682 -29.608 1.00 60.33 N ATOM 604 CA PRO A 36 6.058 -9.675 -29.594 1.00 11.21 C ATOM 605 C PRO A 36 6.643 -8.740 -30.647 1.00 2.11 C ATOM 606 O PRO A 36 7.839 -8.448 -30.636 1.00 22.33 O ATOM 607 CB PRO A 36 6.423 -11.128 -29.907 1.00 1.03 C ATOM 608 CG PRO A 36 5.255 -11.658 -30.664 1.00 15.32 C ATOM 609 CD PRO A 36 4.047 -10.957 -30.105 1.00 41.34 C ATOM 0 HA PRO A 36 6.455 -9.317 -28.644 1.00 11.21 H new ATOM 0 HB2 PRO A 36 7.337 -11.188 -30.497 1.00 1.03 H new ATOM 0 HB3 PRO A 36 6.595 -11.698 -28.994 1.00 1.03 H new ATOM 0 HG2 PRO A 36 5.360 -11.463 -31.731 1.00 15.32 H new ATOM 0 HG3 PRO A 36 5.170 -12.738 -30.544 1.00 15.32 H new ATOM 0 HD2 PRO A 36 3.285 -10.798 -30.868 1.00 41.34 H new ATOM 0 HD3 PRO A 36 3.582 -11.534 -29.306 1.00 41.34 H new ATOM 617 N ASP A 37 5.793 -8.273 -31.555 1.00 22.13 N ATOM 618 CA ASP A 37 6.226 -7.369 -32.614 1.00 62.42 C ATOM 619 C ASP A 37 6.375 -5.946 -32.087 1.00 3.31 C ATOM 620 O ASP A 37 7.091 -5.128 -32.667 1.00 71.31 O ATOM 621 CB ASP A 37 5.230 -7.395 -33.775 1.00 21.15 C ATOM 622 CG ASP A 37 5.891 -7.124 -35.112 1.00 25.25 C ATOM 623 OD1 ASP A 37 6.400 -6.000 -35.306 1.00 14.25 O ATOM 624 OD2 ASP A 37 5.902 -8.037 -35.964 1.00 12.25 O ATOM 0 H ASP A 37 4.800 -8.506 -31.579 1.00 22.13 H new ATOM 0 HA ASP A 37 7.198 -7.708 -32.972 1.00 62.42 H new ATOM 0 HB2 ASP A 37 4.739 -8.368 -33.807 1.00 21.15 H new ATOM 0 HB3 ASP A 37 4.453 -6.651 -33.600 1.00 21.15 H new ATOM 629 N THR A 38 5.694 -5.654 -30.983 1.00 73.32 N ATOM 630 CA THR A 38 5.748 -4.329 -30.379 1.00 22.22 C ATOM 631 C THR A 38 6.608 -4.334 -29.120 1.00 32.11 C ATOM 632 O THR A 38 6.753 -3.311 -28.452 1.00 73.11 O ATOM 633 CB THR A 38 4.340 -3.816 -30.023 1.00 42.33 C ATOM 634 OG1 THR A 38 3.854 -4.487 -28.855 1.00 45.52 O ATOM 635 CG2 THR A 38 3.376 -4.036 -31.179 1.00 31.41 C ATOM 0 H THR A 38 5.098 -6.318 -30.489 1.00 73.32 H new ATOM 0 HA THR A 38 6.193 -3.663 -31.118 1.00 22.22 H new ATOM 0 HB THR A 38 4.407 -2.746 -29.825 1.00 42.33 H new ATOM 0 HG1 THR A 38 4.040 -5.446 -28.928 1.00 45.52 H new ATOM 0 HG21 THR A 38 2.388 -3.666 -30.904 1.00 31.41 H new ATOM 0 HG22 THR A 38 3.733 -3.499 -32.058 1.00 31.41 H new ATOM 0 HG23 THR A 38 3.315 -5.101 -31.404 1.00 31.41 H new ATOM 643 N ASN A 39 7.177 -5.492 -28.802 1.00 32.41 N ATOM 644 CA ASN A 39 8.023 -5.630 -27.622 1.00 41.21 C ATOM 645 C ASN A 39 9.424 -5.090 -27.892 1.00 2.43 C ATOM 646 O ASN A 39 10.266 -5.040 -26.995 1.00 22.32 O ATOM 647 CB ASN A 39 8.103 -7.097 -27.195 1.00 4.45 C ATOM 648 CG ASN A 39 7.008 -7.475 -26.216 1.00 51.44 C ATOM 649 OD1 ASN A 39 7.260 -8.140 -25.212 1.00 32.40 O ATOM 650 ND2 ASN A 39 5.784 -7.050 -26.507 1.00 35.14 N ATOM 0 H ASN A 39 7.068 -6.349 -29.345 1.00 32.41 H new ATOM 0 HA ASN A 39 7.577 -5.048 -26.815 1.00 41.21 H new ATOM 0 HB2 ASN A 39 8.034 -7.734 -28.077 1.00 4.45 H new ATOM 0 HB3 ASN A 39 9.075 -7.288 -26.740 1.00 4.45 H new ATOM 0 HD21 ASN A 39 5.006 -7.273 -25.886 1.00 35.14 H new ATOM 0 HD22 ASN A 39 5.622 -6.501 -27.351 1.00 35.14 H new ATOM 657 N LYS A 40 9.667 -4.685 -29.134 1.00 2.54 N ATOM 658 CA LYS A 40 10.965 -4.146 -29.523 1.00 51.30 C ATOM 659 C LYS A 40 11.398 -3.031 -28.576 1.00 31.54 C ATOM 660 O LYS A 40 12.568 -2.939 -28.205 1.00 21.14 O ATOM 661 CB LYS A 40 10.911 -3.617 -30.958 1.00 52.02 C ATOM 662 CG LYS A 40 11.430 -4.604 -31.990 1.00 12.52 C ATOM 663 CD LYS A 40 10.298 -5.392 -32.627 1.00 14.24 C ATOM 664 CE LYS A 40 10.062 -6.710 -31.906 1.00 31.24 C ATOM 665 NZ LYS A 40 10.764 -7.841 -32.573 1.00 44.23 N ATOM 0 H LYS A 40 8.982 -4.720 -29.889 1.00 2.54 H new ATOM 0 HA LYS A 40 11.697 -4.952 -29.466 1.00 51.30 H new ATOM 0 HB2 LYS A 40 9.881 -3.357 -31.202 1.00 52.02 H new ATOM 0 HB3 LYS A 40 11.495 -2.699 -31.020 1.00 52.02 H new ATOM 0 HG2 LYS A 40 11.981 -4.068 -32.763 1.00 12.52 H new ATOM 0 HG3 LYS A 40 12.132 -5.291 -31.517 1.00 12.52 H new ATOM 0 HD2 LYS A 40 9.384 -4.798 -32.609 1.00 14.24 H new ATOM 0 HD3 LYS A 40 10.532 -5.586 -33.674 1.00 14.24 H new ATOM 0 HE2 LYS A 40 10.406 -6.627 -30.875 1.00 31.24 H new ATOM 0 HE3 LYS A 40 8.993 -6.917 -31.869 1.00 31.24 H new ATOM 0 HZ1 LYS A 40 10.578 -8.721 -32.051 1.00 44.23 H new ATOM 0 HZ2 LYS A 40 10.418 -7.937 -33.549 1.00 44.23 H new ATOM 0 HZ3 LYS A 40 11.787 -7.656 -32.585 1.00 44.23 H new ATOM 679 N ASP A 41 10.447 -2.189 -28.187 1.00 22.01 N ATOM 680 CA ASP A 41 10.730 -1.082 -27.280 1.00 61.42 C ATOM 681 C ASP A 41 9.930 -1.220 -25.989 1.00 13.22 C ATOM 682 O ASP A 41 9.752 -0.250 -25.251 1.00 32.40 O ATOM 683 CB ASP A 41 10.409 0.252 -27.954 1.00 53.35 C ATOM 684 CG ASP A 41 11.305 0.530 -29.145 1.00 4.31 C ATOM 685 OD1 ASP A 41 12.161 -0.325 -29.455 1.00 0.40 O ATOM 686 OD2 ASP A 41 11.152 1.603 -29.766 1.00 1.11 O ATOM 0 H ASP A 41 9.474 -2.252 -28.485 1.00 22.01 H new ATOM 0 HA ASP A 41 11.791 -1.109 -27.033 1.00 61.42 H new ATOM 0 HB2 ASP A 41 9.368 0.251 -28.279 1.00 53.35 H new ATOM 0 HB3 ASP A 41 10.515 1.058 -27.227 1.00 53.35 H new ATOM 691 N ASP A 42 9.449 -2.429 -25.723 1.00 32.22 N ATOM 692 CA ASP A 42 8.667 -2.694 -24.520 1.00 40.35 C ATOM 693 C ASP A 42 8.897 -4.118 -24.025 1.00 70.23 C ATOM 694 O ASP A 42 8.103 -5.025 -24.278 1.00 4.03 O ATOM 695 CB ASP A 42 7.179 -2.470 -24.794 1.00 40.33 C ATOM 696 CG ASP A 42 6.437 -1.957 -23.576 1.00 31.23 C ATOM 697 OD1 ASP A 42 6.364 -2.696 -22.571 1.00 52.30 O ATOM 698 OD2 ASP A 42 5.930 -0.817 -23.626 1.00 71.33 O ATOM 0 H ASP A 42 9.587 -3.242 -26.324 1.00 32.22 H new ATOM 0 HA ASP A 42 8.994 -2.002 -23.744 1.00 40.35 H new ATOM 0 HB2 ASP A 42 7.066 -1.758 -25.611 1.00 40.33 H new ATOM 0 HB3 ASP A 42 6.728 -3.406 -25.123 1.00 40.33 H new ATOM 703 N PRO A 43 10.009 -4.322 -23.304 1.00 43.10 N ATOM 704 CA PRO A 43 10.370 -5.634 -22.759 1.00 20.02 C ATOM 705 C PRO A 43 9.441 -6.068 -21.630 1.00 70.23 C ATOM 706 O PRO A 43 9.512 -7.201 -21.154 1.00 64.44 O ATOM 707 CB PRO A 43 11.790 -5.420 -22.230 1.00 24.12 C ATOM 708 CG PRO A 43 11.871 -3.961 -21.941 1.00 0.15 C ATOM 709 CD PRO A 43 11.000 -3.287 -22.965 1.00 3.14 C ATOM 0 HA PRO A 43 10.294 -6.422 -23.509 1.00 20.02 H new ATOM 0 HB2 PRO A 43 11.972 -6.012 -21.333 1.00 24.12 H new ATOM 0 HB3 PRO A 43 12.536 -5.720 -22.966 1.00 24.12 H new ATOM 0 HG2 PRO A 43 11.525 -3.744 -20.931 1.00 0.15 H new ATOM 0 HG3 PRO A 43 12.899 -3.606 -22.009 1.00 0.15 H new ATOM 0 HD2 PRO A 43 10.525 -2.392 -22.562 1.00 3.14 H new ATOM 0 HD3 PRO A 43 11.573 -2.978 -23.839 1.00 3.14 H new ATOM 717 N LYS A 44 8.569 -5.160 -21.206 1.00 33.21 N ATOM 718 CA LYS A 44 7.623 -5.449 -20.134 1.00 43.01 C ATOM 719 C LYS A 44 6.278 -5.893 -20.700 1.00 24.40 C ATOM 720 O LYS A 44 5.475 -6.512 -20.003 1.00 12.45 O ATOM 721 CB LYS A 44 7.433 -4.216 -19.248 1.00 3.02 C ATOM 722 CG LYS A 44 8.285 -4.234 -17.990 1.00 50.32 C ATOM 723 CD LYS A 44 7.882 -5.366 -17.060 1.00 44.21 C ATOM 724 CE LYS A 44 6.927 -4.885 -15.978 1.00 64.32 C ATOM 725 NZ LYS A 44 7.552 -3.853 -15.105 1.00 61.22 N ATOM 0 H LYS A 44 8.497 -4.217 -21.588 1.00 33.21 H new ATOM 0 HA LYS A 44 8.031 -6.262 -19.533 1.00 43.01 H new ATOM 0 HB2 LYS A 44 7.672 -3.323 -19.826 1.00 3.02 H new ATOM 0 HB3 LYS A 44 6.383 -4.141 -18.965 1.00 3.02 H new ATOM 0 HG2 LYS A 44 9.335 -4.342 -18.262 1.00 50.32 H new ATOM 0 HG3 LYS A 44 8.187 -3.282 -17.469 1.00 50.32 H new ATOM 0 HD2 LYS A 44 7.410 -6.161 -17.637 1.00 44.21 H new ATOM 0 HD3 LYS A 44 8.772 -5.793 -16.598 1.00 44.21 H new ATOM 0 HE2 LYS A 44 6.030 -4.474 -16.442 1.00 64.32 H new ATOM 0 HE3 LYS A 44 6.611 -5.732 -15.370 1.00 64.32 H new ATOM 0 HZ1 LYS A 44 7.107 -3.878 -14.165 1.00 61.22 H new ATOM 0 HZ2 LYS A 44 8.569 -4.047 -15.012 1.00 61.22 H new ATOM 0 HZ3 LYS A 44 7.416 -2.912 -15.528 1.00 61.22 H new ATOM 739 N ALA A 45 6.041 -5.576 -21.968 1.00 41.34 N ATOM 740 CA ALA A 45 4.795 -5.946 -22.628 1.00 42.44 C ATOM 741 C ALA A 45 4.563 -7.451 -22.558 1.00 72.04 C ATOM 742 O ALA A 45 3.429 -7.909 -22.417 1.00 32.04 O ATOM 743 CB ALA A 45 4.806 -5.478 -24.076 1.00 52.12 C ATOM 0 H ALA A 45 6.695 -5.064 -22.559 1.00 41.34 H new ATOM 0 HA ALA A 45 3.975 -5.454 -22.105 1.00 42.44 H new ATOM 0 HB1 ALA A 45 3.870 -5.761 -24.557 1.00 52.12 H new ATOM 0 HB2 ALA A 45 4.917 -4.394 -24.107 1.00 52.12 H new ATOM 0 HB3 ALA A 45 5.639 -5.943 -24.602 1.00 52.12 H new ATOM 749 N LYS A 46 5.644 -8.217 -22.659 1.00 72.14 N ATOM 750 CA LYS A 46 5.559 -9.672 -22.607 1.00 52.22 C ATOM 751 C LYS A 46 4.892 -10.132 -21.315 1.00 13.32 C ATOM 752 O LYS A 46 4.058 -11.037 -21.325 1.00 1.23 O ATOM 753 CB LYS A 46 6.954 -10.289 -22.721 1.00 25.11 C ATOM 754 CG LYS A 46 7.927 -9.793 -21.665 1.00 32.45 C ATOM 755 CD LYS A 46 9.368 -10.063 -22.063 1.00 21.43 C ATOM 756 CE LYS A 46 9.789 -9.207 -23.247 1.00 72.23 C ATOM 757 NZ LYS A 46 11.257 -8.958 -23.258 1.00 71.00 N ATOM 0 H LYS A 46 6.590 -7.854 -22.777 1.00 72.14 H new ATOM 0 HA LYS A 46 4.951 -10.006 -23.448 1.00 52.22 H new ATOM 0 HB2 LYS A 46 6.870 -11.373 -22.645 1.00 25.11 H new ATOM 0 HB3 LYS A 46 7.360 -10.069 -23.709 1.00 25.11 H new ATOM 0 HG2 LYS A 46 7.785 -8.723 -21.512 1.00 32.45 H new ATOM 0 HG3 LYS A 46 7.714 -10.282 -20.714 1.00 32.45 H new ATOM 0 HD2 LYS A 46 10.024 -9.862 -21.216 1.00 21.43 H new ATOM 0 HD3 LYS A 46 9.486 -11.117 -22.315 1.00 21.43 H new ATOM 0 HE2 LYS A 46 9.498 -9.701 -24.174 1.00 72.23 H new ATOM 0 HE3 LYS A 46 9.260 -8.255 -23.213 1.00 72.23 H new ATOM 0 HZ1 LYS A 46 11.503 -8.371 -24.080 1.00 71.00 H new ATOM 0 HZ2 LYS A 46 11.532 -8.464 -22.385 1.00 71.00 H new ATOM 0 HZ3 LYS A 46 11.763 -9.865 -23.316 1.00 71.00 H new ATOM 771 N GLU A 47 5.264 -9.501 -20.205 1.00 73.21 N ATOM 772 CA GLU A 47 4.700 -9.847 -18.906 1.00 12.35 C ATOM 773 C GLU A 47 3.215 -9.500 -18.847 1.00 72.12 C ATOM 774 O GLU A 47 2.416 -10.234 -18.264 1.00 44.12 O ATOM 775 CB GLU A 47 5.449 -9.117 -17.789 1.00 43.41 C ATOM 776 CG GLU A 47 5.046 -9.562 -16.393 1.00 44.53 C ATOM 777 CD GLU A 47 5.710 -10.861 -15.981 1.00 4.22 C ATOM 778 OE1 GLU A 47 6.710 -10.804 -15.234 1.00 32.53 O ATOM 779 OE2 GLU A 47 5.232 -11.933 -16.405 1.00 34.33 O ATOM 0 H GLU A 47 5.952 -8.749 -20.180 1.00 73.21 H new ATOM 0 HA GLU A 47 4.810 -10.922 -18.766 1.00 12.35 H new ATOM 0 HB2 GLU A 47 6.520 -9.276 -17.917 1.00 43.41 H new ATOM 0 HB3 GLU A 47 5.272 -8.046 -17.885 1.00 43.41 H new ATOM 0 HG2 GLU A 47 5.307 -8.782 -15.678 1.00 44.53 H new ATOM 0 HG3 GLU A 47 3.963 -9.683 -16.352 1.00 44.53 H new ATOM 786 N LYS A 48 2.851 -8.376 -19.455 1.00 45.13 N ATOM 787 CA LYS A 48 1.463 -7.930 -19.475 1.00 24.14 C ATOM 788 C LYS A 48 0.618 -8.822 -20.378 1.00 71.01 C ATOM 789 O LYS A 48 -0.548 -9.091 -20.087 1.00 3.22 O ATOM 790 CB LYS A 48 1.379 -6.478 -19.950 1.00 61.04 C ATOM 791 CG LYS A 48 2.289 -5.533 -19.184 1.00 71.25 C ATOM 792 CD LYS A 48 2.015 -5.584 -17.691 1.00 12.32 C ATOM 793 CE LYS A 48 2.819 -4.533 -16.941 1.00 23.34 C ATOM 794 NZ LYS A 48 2.223 -4.222 -15.612 1.00 52.01 N ATOM 0 H LYS A 48 3.499 -7.756 -19.941 1.00 45.13 H new ATOM 0 HA LYS A 48 1.071 -7.996 -18.460 1.00 24.14 H new ATOM 0 HB2 LYS A 48 1.634 -6.436 -21.009 1.00 61.04 H new ATOM 0 HB3 LYS A 48 0.349 -6.133 -19.856 1.00 61.04 H new ATOM 0 HG2 LYS A 48 3.330 -5.796 -19.373 1.00 71.25 H new ATOM 0 HG3 LYS A 48 2.146 -4.515 -19.547 1.00 71.25 H new ATOM 0 HD2 LYS A 48 0.952 -5.428 -17.510 1.00 12.32 H new ATOM 0 HD3 LYS A 48 2.262 -6.574 -17.308 1.00 12.32 H new ATOM 0 HE2 LYS A 48 3.842 -4.886 -16.807 1.00 23.34 H new ATOM 0 HE3 LYS A 48 2.872 -3.622 -17.537 1.00 23.34 H new ATOM 0 HZ1 LYS A 48 2.800 -3.502 -15.133 1.00 52.01 H new ATOM 0 HZ2 LYS A 48 1.256 -3.861 -15.741 1.00 52.01 H new ATOM 0 HZ3 LYS A 48 2.196 -5.085 -15.033 1.00 52.01 H new ATOM 808 N PHE A 49 1.213 -9.279 -21.475 1.00 20.32 N ATOM 809 CA PHE A 49 0.514 -10.142 -22.421 1.00 4.24 C ATOM 810 C PHE A 49 0.035 -11.420 -21.739 1.00 73.12 C ATOM 811 O PHE A 49 -1.001 -11.979 -22.102 1.00 4.53 O ATOM 812 CB PHE A 49 1.428 -10.490 -23.597 1.00 45.13 C ATOM 813 CG PHE A 49 0.856 -11.534 -24.513 1.00 20.24 C ATOM 814 CD1 PHE A 49 0.100 -11.169 -25.614 1.00 74.25 C ATOM 815 CD2 PHE A 49 1.074 -12.881 -24.271 1.00 0.04 C ATOM 816 CE1 PHE A 49 -0.428 -12.128 -26.459 1.00 53.40 C ATOM 817 CE2 PHE A 49 0.549 -13.844 -25.112 1.00 0.23 C ATOM 818 CZ PHE A 49 -0.204 -13.467 -26.207 1.00 11.25 C ATOM 0 H PHE A 49 2.177 -9.066 -21.731 1.00 20.32 H new ATOM 0 HA PHE A 49 -0.356 -9.602 -22.794 1.00 4.24 H new ATOM 0 HB2 PHE A 49 1.629 -9.585 -24.171 1.00 45.13 H new ATOM 0 HB3 PHE A 49 2.385 -10.842 -23.211 1.00 45.13 H new ATOM 0 HD1 PHE A 49 -0.079 -10.123 -25.815 1.00 74.25 H new ATOM 0 HD2 PHE A 49 1.661 -13.182 -23.416 1.00 0.04 H new ATOM 0 HE1 PHE A 49 -1.015 -11.830 -27.315 1.00 53.40 H new ATOM 0 HE2 PHE A 49 0.727 -14.890 -24.913 1.00 0.23 H new ATOM 0 HZ PHE A 49 -0.617 -14.218 -26.865 1.00 11.25 H new ATOM 828 N SER A 50 0.796 -11.878 -20.750 1.00 52.23 N ATOM 829 CA SER A 50 0.452 -13.092 -20.020 1.00 72.44 C ATOM 830 C SER A 50 -0.837 -12.902 -19.226 1.00 24.23 C ATOM 831 O SER A 50 -1.616 -13.839 -19.055 1.00 53.21 O ATOM 832 CB SER A 50 1.591 -13.487 -19.079 1.00 65.00 C ATOM 833 OG SER A 50 2.634 -14.137 -19.785 1.00 31.51 O ATOM 0 H SER A 50 1.655 -11.426 -20.436 1.00 52.23 H new ATOM 0 HA SER A 50 0.297 -13.891 -20.745 1.00 72.44 H new ATOM 0 HB2 SER A 50 1.982 -12.598 -18.583 1.00 65.00 H new ATOM 0 HB3 SER A 50 1.210 -14.146 -18.299 1.00 65.00 H new ATOM 0 HG SER A 50 3.351 -14.378 -19.161 1.00 31.51 H new ATOM 839 N GLN A 51 -1.052 -11.683 -18.743 1.00 2.15 N ATOM 840 CA GLN A 51 -2.245 -11.369 -17.965 1.00 61.32 C ATOM 841 C GLN A 51 -3.506 -11.563 -18.801 1.00 63.40 C ATOM 842 O GLN A 51 -4.552 -11.958 -18.284 1.00 3.43 O ATOM 843 CB GLN A 51 -2.178 -9.932 -17.447 1.00 14.30 C ATOM 844 CG GLN A 51 -1.047 -9.692 -16.461 1.00 25.10 C ATOM 845 CD GLN A 51 -0.923 -10.800 -15.434 1.00 63.31 C ATOM 846 OE1 GLN A 51 -0.402 -11.877 -15.726 1.00 30.42 O ATOM 847 NE2 GLN A 51 -1.402 -10.542 -14.223 1.00 3.31 N ATOM 0 H GLN A 51 -0.416 -10.897 -18.876 1.00 2.15 H new ATOM 0 HA GLN A 51 -2.285 -12.052 -17.116 1.00 61.32 H new ATOM 0 HB2 GLN A 51 -2.061 -9.255 -18.293 1.00 14.30 H new ATOM 0 HB3 GLN A 51 -3.125 -9.683 -16.968 1.00 14.30 H new ATOM 0 HG2 GLN A 51 -0.108 -9.601 -17.007 1.00 25.10 H new ATOM 0 HG3 GLN A 51 -1.212 -8.744 -15.949 1.00 25.10 H new ATOM 0 HE21 GLN A 51 -1.826 -9.636 -14.025 1.00 3.31 H new ATOM 0 HE22 GLN A 51 -1.346 -11.250 -13.491 1.00 3.31 H new ATOM 856 N LEU A 52 -3.400 -11.284 -20.095 1.00 51.24 N ATOM 857 CA LEU A 52 -4.532 -11.427 -21.004 1.00 35.21 C ATOM 858 C LEU A 52 -5.028 -12.869 -21.033 1.00 33.44 C ATOM 859 O LEU A 52 -6.227 -13.127 -20.921 1.00 45.51 O ATOM 860 CB LEU A 52 -4.140 -10.983 -22.414 1.00 3.21 C ATOM 861 CG LEU A 52 -3.485 -9.605 -22.526 1.00 35.33 C ATOM 862 CD1 LEU A 52 -2.720 -9.483 -23.834 1.00 2.51 C ATOM 863 CD2 LEU A 52 -4.533 -8.507 -22.413 1.00 44.24 C ATOM 0 H LEU A 52 -2.542 -10.957 -20.539 1.00 51.24 H new ATOM 0 HA LEU A 52 -5.339 -10.791 -20.641 1.00 35.21 H new ATOM 0 HB2 LEU A 52 -3.456 -11.723 -22.829 1.00 3.21 H new ATOM 0 HB3 LEU A 52 -5.034 -10.990 -23.037 1.00 3.21 H new ATOM 0 HG LEU A 52 -2.778 -9.491 -21.704 1.00 35.33 H new ATOM 0 HD11 LEU A 52 -2.261 -8.496 -23.896 1.00 2.51 H new ATOM 0 HD12 LEU A 52 -1.944 -10.248 -23.874 1.00 2.51 H new ATOM 0 HD13 LEU A 52 -3.406 -9.617 -24.670 1.00 2.51 H new ATOM 0 HD21 LEU A 52 -4.050 -7.533 -22.495 1.00 44.24 H new ATOM 0 HD22 LEU A 52 -5.264 -8.618 -23.214 1.00 44.24 H new ATOM 0 HD23 LEU A 52 -5.037 -8.582 -21.449 1.00 44.24 H new ATOM 875 N ALA A 53 -4.098 -13.807 -21.181 1.00 2.32 N ATOM 876 CA ALA A 53 -4.440 -15.223 -21.220 1.00 22.24 C ATOM 877 C ALA A 53 -4.948 -15.703 -19.864 1.00 51.52 C ATOM 878 O ALA A 53 -5.801 -16.586 -19.789 1.00 14.23 O ATOM 879 CB ALA A 53 -3.236 -16.045 -21.655 1.00 25.14 C ATOM 0 H ALA A 53 -3.101 -13.611 -21.276 1.00 2.32 H new ATOM 0 HA ALA A 53 -5.241 -15.358 -21.947 1.00 22.24 H new ATOM 0 HB1 ALA A 53 -3.506 -17.101 -21.680 1.00 25.14 H new ATOM 0 HB2 ALA A 53 -2.919 -15.728 -22.649 1.00 25.14 H new ATOM 0 HB3 ALA A 53 -2.419 -15.896 -20.949 1.00 25.14 H new ATOM 885 N GLU A 54 -4.417 -15.115 -18.796 1.00 54.55 N ATOM 886 CA GLU A 54 -4.817 -15.484 -17.444 1.00 35.12 C ATOM 887 C GLU A 54 -6.285 -15.146 -17.199 1.00 74.32 C ATOM 888 O GLU A 54 -7.057 -15.985 -16.735 1.00 72.04 O ATOM 889 CB GLU A 54 -3.940 -14.768 -16.415 1.00 62.20 C ATOM 890 CG GLU A 54 -2.667 -15.523 -16.071 1.00 3.12 C ATOM 891 CD GLU A 54 -2.125 -15.160 -14.702 1.00 12.42 C ATOM 892 OE1 GLU A 54 -2.642 -14.197 -14.096 1.00 74.52 O ATOM 893 OE2 GLU A 54 -1.185 -15.836 -14.236 1.00 61.53 O ATOM 0 H GLU A 54 -3.709 -14.382 -18.842 1.00 54.55 H new ATOM 0 HA GLU A 54 -4.687 -16.561 -17.336 1.00 35.12 H new ATOM 0 HB2 GLU A 54 -3.676 -13.782 -16.798 1.00 62.20 H new ATOM 0 HB3 GLU A 54 -4.517 -14.612 -15.504 1.00 62.20 H new ATOM 0 HG2 GLU A 54 -2.864 -16.595 -16.107 1.00 3.12 H new ATOM 0 HG3 GLU A 54 -1.909 -15.312 -16.825 1.00 3.12 H new ATOM 900 N ALA A 55 -6.663 -13.912 -17.514 1.00 42.43 N ATOM 901 CA ALA A 55 -8.037 -13.463 -17.331 1.00 13.45 C ATOM 902 C ALA A 55 -8.966 -14.104 -18.356 1.00 31.33 C ATOM 903 O ALA A 55 -10.095 -14.477 -18.037 1.00 34.32 O ATOM 904 CB ALA A 55 -8.114 -11.946 -17.423 1.00 2.24 C ATOM 0 H ALA A 55 -6.036 -13.205 -17.898 1.00 42.43 H new ATOM 0 HA ALA A 55 -8.364 -13.773 -16.339 1.00 13.45 H new ATOM 0 HB1 ALA A 55 -9.146 -11.625 -17.284 1.00 2.24 H new ATOM 0 HB2 ALA A 55 -7.489 -11.502 -16.648 1.00 2.24 H new ATOM 0 HB3 ALA A 55 -7.762 -11.623 -18.403 1.00 2.24 H new ATOM 910 N TYR A 56 -8.484 -14.229 -19.587 1.00 71.11 N ATOM 911 CA TYR A 56 -9.273 -14.823 -20.660 1.00 41.00 C ATOM 912 C TYR A 56 -9.606 -16.279 -20.350 1.00 25.22 C ATOM 913 O TYR A 56 -10.612 -16.810 -20.818 1.00 61.12 O ATOM 914 CB TYR A 56 -8.518 -14.732 -21.987 1.00 65.30 C ATOM 915 CG TYR A 56 -9.067 -15.645 -23.060 1.00 24.20 C ATOM 916 CD1 TYR A 56 -10.113 -15.237 -23.878 1.00 34.34 C ATOM 917 CD2 TYR A 56 -8.540 -16.916 -23.255 1.00 44.35 C ATOM 918 CE1 TYR A 56 -10.619 -16.068 -24.859 1.00 21.12 C ATOM 919 CE2 TYR A 56 -9.038 -17.753 -24.235 1.00 42.31 C ATOM 920 CZ TYR A 56 -10.077 -17.325 -25.034 1.00 15.50 C ATOM 921 OH TYR A 56 -10.577 -18.156 -26.010 1.00 15.20 O ATOM 0 H TYR A 56 -7.551 -13.927 -19.867 1.00 71.11 H new ATOM 0 HA TYR A 56 -10.206 -14.266 -20.742 1.00 41.00 H new ATOM 0 HB2 TYR A 56 -8.552 -13.703 -22.345 1.00 65.30 H new ATOM 0 HB3 TYR A 56 -7.469 -14.975 -21.816 1.00 65.30 H new ATOM 0 HD1 TYR A 56 -10.538 -14.253 -23.745 1.00 34.34 H new ATOM 0 HD2 TYR A 56 -7.727 -17.255 -22.630 1.00 44.35 H new ATOM 0 HE1 TYR A 56 -11.434 -15.736 -25.485 1.00 21.12 H new ATOM 0 HE2 TYR A 56 -8.616 -18.737 -24.374 1.00 42.31 H new ATOM 0 HH TYR A 56 -10.084 -19.003 -26.002 1.00 15.20 H new ATOM 931 N GLU A 57 -8.752 -16.918 -19.556 1.00 62.42 N ATOM 932 CA GLU A 57 -8.955 -18.313 -19.183 1.00 65.30 C ATOM 933 C GLU A 57 -10.261 -18.486 -18.413 1.00 24.21 C ATOM 934 O GLU A 57 -11.046 -19.392 -18.695 1.00 44.52 O ATOM 935 CB GLU A 57 -7.781 -18.814 -18.338 1.00 33.10 C ATOM 936 CG GLU A 57 -6.732 -19.566 -19.139 1.00 4.12 C ATOM 937 CD GLU A 57 -7.076 -21.031 -19.322 1.00 31.34 C ATOM 938 OE1 GLU A 57 -7.608 -21.638 -18.368 1.00 61.34 O ATOM 939 OE2 GLU A 57 -6.814 -21.571 -20.417 1.00 11.13 O ATOM 0 H GLU A 57 -7.914 -16.492 -19.159 1.00 62.42 H new ATOM 0 HA GLU A 57 -9.012 -18.903 -20.098 1.00 65.30 H new ATOM 0 HB2 GLU A 57 -7.309 -17.963 -17.846 1.00 33.10 H new ATOM 0 HB3 GLU A 57 -8.162 -19.466 -17.552 1.00 33.10 H new ATOM 0 HG2 GLU A 57 -6.623 -19.098 -20.117 1.00 4.12 H new ATOM 0 HG3 GLU A 57 -5.768 -19.483 -18.636 1.00 4.12 H new ATOM 946 N VAL A 58 -10.486 -17.611 -17.438 1.00 31.32 N ATOM 947 CA VAL A 58 -11.696 -17.666 -16.627 1.00 13.24 C ATOM 948 C VAL A 58 -12.902 -17.150 -17.403 1.00 53.05 C ATOM 949 O VAL A 58 -13.995 -17.712 -17.320 1.00 71.24 O ATOM 950 CB VAL A 58 -11.543 -16.844 -15.333 1.00 44.53 C ATOM 951 CG1 VAL A 58 -12.750 -17.039 -14.430 1.00 14.35 C ATOM 952 CG2 VAL A 58 -10.259 -17.223 -14.611 1.00 2.13 C ATOM 0 H VAL A 58 -9.846 -16.856 -17.191 1.00 31.32 H new ATOM 0 HA VAL A 58 -11.855 -18.713 -16.367 1.00 13.24 H new ATOM 0 HB VAL A 58 -11.486 -15.788 -15.598 1.00 44.53 H new ATOM 0 HG11 VAL A 58 -12.623 -16.451 -13.521 1.00 14.35 H new ATOM 0 HG12 VAL A 58 -13.650 -16.713 -14.951 1.00 14.35 H new ATOM 0 HG13 VAL A 58 -12.843 -18.093 -14.169 1.00 14.35 H new ATOM 0 HG21 VAL A 58 -10.167 -16.633 -13.699 1.00 2.13 H new ATOM 0 HG22 VAL A 58 -10.284 -18.283 -14.357 1.00 2.13 H new ATOM 0 HG23 VAL A 58 -9.405 -17.025 -15.259 1.00 2.13 H new ATOM 962 N LEU A 59 -12.697 -16.077 -18.159 1.00 52.12 N ATOM 963 CA LEU A 59 -13.768 -15.484 -18.953 1.00 71.10 C ATOM 964 C LEU A 59 -14.077 -16.341 -20.177 1.00 2.51 C ATOM 965 O LEU A 59 -15.045 -16.090 -20.894 1.00 51.43 O ATOM 966 CB LEU A 59 -13.383 -14.070 -19.390 1.00 44.21 C ATOM 967 CG LEU A 59 -13.047 -13.088 -18.267 1.00 30.12 C ATOM 968 CD1 LEU A 59 -12.942 -11.671 -18.810 1.00 21.53 C ATOM 969 CD2 LEU A 59 -14.093 -13.162 -17.164 1.00 24.33 C ATOM 0 H LEU A 59 -11.799 -15.600 -18.239 1.00 52.12 H new ATOM 0 HA LEU A 59 -14.662 -15.434 -18.332 1.00 71.10 H new ATOM 0 HB2 LEU A 59 -12.522 -14.139 -20.055 1.00 44.21 H new ATOM 0 HB3 LEU A 59 -14.205 -13.656 -19.974 1.00 44.21 H new ATOM 0 HG LEU A 59 -12.081 -13.365 -17.845 1.00 30.12 H new ATOM 0 HD11 LEU A 59 -12.702 -10.986 -17.996 1.00 21.53 H new ATOM 0 HD12 LEU A 59 -12.156 -11.628 -19.564 1.00 21.53 H new ATOM 0 HD13 LEU A 59 -13.892 -11.382 -19.259 1.00 21.53 H new ATOM 0 HD21 LEU A 59 -13.838 -12.457 -16.373 1.00 24.33 H new ATOM 0 HD22 LEU A 59 -15.072 -12.911 -17.573 1.00 24.33 H new ATOM 0 HD23 LEU A 59 -14.119 -14.172 -16.755 1.00 24.33 H new ATOM 981 N SER A 60 -13.248 -17.354 -20.408 1.00 12.10 N ATOM 982 CA SER A 60 -13.432 -18.247 -21.546 1.00 23.01 C ATOM 983 C SER A 60 -14.608 -19.190 -21.312 1.00 62.31 C ATOM 984 O SER A 60 -15.124 -19.800 -22.249 1.00 34.04 O ATOM 985 CB SER A 60 -12.157 -19.055 -21.798 1.00 33.25 C ATOM 986 OG SER A 60 -12.408 -20.146 -22.666 1.00 74.24 O ATOM 0 H SER A 60 -12.443 -17.577 -19.823 1.00 12.10 H new ATOM 0 HA SER A 60 -13.647 -17.638 -22.424 1.00 23.01 H new ATOM 0 HB2 SER A 60 -11.393 -18.409 -22.232 1.00 33.25 H new ATOM 0 HB3 SER A 60 -11.763 -19.423 -20.851 1.00 33.25 H new ATOM 0 HG SER A 60 -11.578 -20.645 -22.812 1.00 74.24 H new ATOM 992 N ASP A 61 -15.025 -19.305 -20.056 1.00 54.33 N ATOM 993 CA ASP A 61 -16.141 -20.172 -19.698 1.00 32.54 C ATOM 994 C ASP A 61 -17.055 -19.492 -18.683 1.00 41.44 C ATOM 995 O ASP A 61 -16.592 -18.971 -17.669 1.00 32.31 O ATOM 996 CB ASP A 61 -15.624 -21.495 -19.130 1.00 33.23 C ATOM 997 CG ASP A 61 -16.455 -22.682 -19.577 1.00 54.41 C ATOM 998 OD1 ASP A 61 -16.908 -22.684 -20.741 1.00 55.11 O ATOM 999 OD2 ASP A 61 -16.652 -23.608 -18.764 1.00 31.14 O ATOM 0 H ASP A 61 -14.607 -18.809 -19.269 1.00 54.33 H new ATOM 0 HA ASP A 61 -16.717 -20.373 -20.601 1.00 32.54 H new ATOM 0 HB2 ASP A 61 -14.590 -21.641 -19.442 1.00 33.23 H new ATOM 0 HB3 ASP A 61 -15.625 -21.444 -18.041 1.00 33.23 H new ATOM 1004 N GLU A 62 -18.354 -19.499 -18.966 1.00 41.32 N ATOM 1005 CA GLU A 62 -19.332 -18.880 -18.079 1.00 5.30 C ATOM 1006 C GLU A 62 -19.239 -19.466 -16.673 1.00 62.43 C ATOM 1007 O GLU A 62 -19.370 -18.751 -15.680 1.00 35.20 O ATOM 1008 CB GLU A 62 -20.746 -19.070 -18.630 1.00 51.25 C ATOM 1009 CG GLU A 62 -21.053 -20.501 -19.040 1.00 3.34 C ATOM 1010 CD GLU A 62 -22.502 -20.695 -19.440 1.00 72.10 C ATOM 1011 OE1 GLU A 62 -22.928 -20.087 -20.444 1.00 65.34 O ATOM 1012 OE2 GLU A 62 -23.211 -21.456 -18.748 1.00 52.13 O ATOM 0 H GLU A 62 -18.753 -19.926 -19.802 1.00 41.32 H new ATOM 0 HA GLU A 62 -19.111 -17.814 -18.025 1.00 5.30 H new ATOM 0 HB2 GLU A 62 -21.466 -18.755 -17.875 1.00 51.25 H new ATOM 0 HB3 GLU A 62 -20.882 -18.417 -19.492 1.00 51.25 H new ATOM 0 HG2 GLU A 62 -20.409 -20.782 -19.873 1.00 3.34 H new ATOM 0 HG3 GLU A 62 -20.815 -21.171 -18.213 1.00 3.34 H new ATOM 1019 N VAL A 63 -19.012 -20.774 -16.598 1.00 24.00 N ATOM 1020 CA VAL A 63 -18.901 -21.458 -15.315 1.00 64.02 C ATOM 1021 C VAL A 63 -17.718 -20.929 -14.511 1.00 72.30 C ATOM 1022 O VAL A 63 -17.860 -20.566 -13.343 1.00 43.02 O ATOM 1023 CB VAL A 63 -18.742 -22.979 -15.502 1.00 4.42 C ATOM 1024 CG1 VAL A 63 -18.818 -23.692 -14.161 1.00 32.33 C ATOM 1025 CG2 VAL A 63 -19.797 -23.511 -16.459 1.00 51.33 C ATOM 0 H VAL A 63 -18.901 -21.381 -17.410 1.00 24.00 H new ATOM 0 HA VAL A 63 -19.824 -21.261 -14.770 1.00 64.02 H new ATOM 0 HB VAL A 63 -17.761 -23.174 -15.935 1.00 4.42 H new ATOM 0 HG11 VAL A 63 -18.704 -24.765 -14.313 1.00 32.33 H new ATOM 0 HG12 VAL A 63 -18.021 -23.330 -13.511 1.00 32.33 H new ATOM 0 HG13 VAL A 63 -19.784 -23.492 -13.697 1.00 32.33 H new ATOM 0 HG21 VAL A 63 -19.670 -24.587 -16.579 1.00 51.33 H new ATOM 0 HG22 VAL A 63 -20.789 -23.306 -16.057 1.00 51.33 H new ATOM 0 HG23 VAL A 63 -19.689 -23.022 -17.427 1.00 51.33 H new ATOM 1035 N LYS A 64 -16.551 -20.888 -15.144 1.00 25.32 N ATOM 1036 CA LYS A 64 -15.342 -20.402 -14.489 1.00 63.32 C ATOM 1037 C LYS A 64 -15.485 -18.934 -14.102 1.00 54.12 C ATOM 1038 O LYS A 64 -15.134 -18.538 -12.991 1.00 34.15 O ATOM 1039 CB LYS A 64 -14.132 -20.582 -15.409 1.00 24.34 C ATOM 1040 CG LYS A 64 -13.671 -22.024 -15.532 1.00 61.32 C ATOM 1041 CD LYS A 64 -12.172 -22.113 -15.766 1.00 11.21 C ATOM 1042 CE LYS A 64 -11.390 -21.721 -14.522 1.00 2.42 C ATOM 1043 NZ LYS A 64 -11.051 -22.904 -13.684 1.00 2.12 N ATOM 0 H LYS A 64 -16.416 -21.186 -16.110 1.00 25.32 H new ATOM 0 HA LYS A 64 -15.191 -20.986 -13.581 1.00 63.32 H new ATOM 0 HB2 LYS A 64 -14.380 -20.203 -16.400 1.00 24.34 H new ATOM 0 HB3 LYS A 64 -13.307 -19.976 -15.033 1.00 24.34 H new ATOM 0 HG2 LYS A 64 -13.931 -22.569 -14.624 1.00 61.32 H new ATOM 0 HG3 LYS A 64 -14.198 -22.506 -16.355 1.00 61.32 H new ATOM 0 HD2 LYS A 64 -11.908 -23.129 -16.058 1.00 11.21 H new ATOM 0 HD3 LYS A 64 -11.892 -21.461 -16.593 1.00 11.21 H new ATOM 0 HE2 LYS A 64 -10.473 -21.209 -14.816 1.00 2.42 H new ATOM 0 HE3 LYS A 64 -11.975 -21.014 -13.933 1.00 2.42 H new ATOM 0 HZ1 LYS A 64 -10.518 -22.595 -12.846 1.00 2.12 H new ATOM 0 HZ2 LYS A 64 -11.926 -23.378 -13.382 1.00 2.12 H new ATOM 0 HZ3 LYS A 64 -10.471 -23.567 -14.237 1.00 2.12 H new ATOM 1057 N ARG A 65 -16.004 -18.131 -15.026 1.00 35.34 N ATOM 1058 CA ARG A 65 -16.195 -16.707 -14.780 1.00 43.22 C ATOM 1059 C ARG A 65 -17.186 -16.479 -13.643 1.00 2.33 C ATOM 1060 O ARG A 65 -16.953 -15.655 -12.757 1.00 71.25 O ATOM 1061 CB ARG A 65 -16.689 -16.011 -16.049 1.00 55.44 C ATOM 1062 CG ARG A 65 -17.129 -14.573 -15.824 1.00 23.14 C ATOM 1063 CD ARG A 65 -17.680 -13.952 -17.098 1.00 22.42 C ATOM 1064 NE ARG A 65 -19.081 -14.302 -17.315 1.00 70.14 N ATOM 1065 CZ ARG A 65 -19.720 -14.098 -18.462 1.00 10.42 C ATOM 1066 NH1 ARG A 65 -19.086 -13.549 -19.489 1.00 54.30 N ATOM 1067 NH2 ARG A 65 -20.996 -14.443 -18.583 1.00 5.24 N ATOM 0 H ARG A 65 -16.299 -18.443 -15.951 1.00 35.34 H new ATOM 0 HA ARG A 65 -15.234 -16.282 -14.491 1.00 43.22 H new ATOM 0 HB2 ARG A 65 -15.894 -16.026 -16.794 1.00 55.44 H new ATOM 0 HB3 ARG A 65 -17.524 -16.577 -16.462 1.00 55.44 H new ATOM 0 HG2 ARG A 65 -17.890 -14.542 -15.044 1.00 23.14 H new ATOM 0 HG3 ARG A 65 -16.284 -13.984 -15.467 1.00 23.14 H new ATOM 0 HD2 ARG A 65 -17.581 -12.868 -17.045 1.00 22.42 H new ATOM 0 HD3 ARG A 65 -17.087 -14.285 -17.950 1.00 22.42 H new ATOM 0 HE ARG A 65 -19.597 -14.726 -16.544 1.00 70.14 H new ATOM 0 HH11 ARG A 65 -18.106 -13.282 -19.400 1.00 54.30 H new ATOM 0 HH12 ARG A 65 -19.579 -13.393 -20.368 1.00 54.30 H new ATOM 0 HH21 ARG A 65 -21.487 -14.865 -17.795 1.00 5.24 H new ATOM 0 HH22 ARG A 65 -21.485 -14.286 -19.464 1.00 5.24 H new ATOM 1081 N LYS A 66 -18.293 -17.213 -13.673 1.00 64.21 N ATOM 1082 CA LYS A 66 -19.320 -17.093 -12.645 1.00 42.23 C ATOM 1083 C LYS A 66 -18.777 -17.511 -11.282 1.00 75.14 C ATOM 1084 O LYS A 66 -19.018 -16.843 -10.277 1.00 52.35 O ATOM 1085 CB LYS A 66 -20.535 -17.949 -13.007 1.00 73.31 C ATOM 1086 CG LYS A 66 -21.392 -17.354 -14.111 1.00 12.22 C ATOM 1087 CD LYS A 66 -22.142 -16.122 -13.632 1.00 22.04 C ATOM 1088 CE LYS A 66 -22.379 -15.137 -14.766 1.00 61.33 C ATOM 1089 NZ LYS A 66 -23.319 -15.681 -15.785 1.00 14.00 N ATOM 0 H LYS A 66 -18.502 -17.898 -14.399 1.00 64.21 H new ATOM 0 HA LYS A 66 -19.624 -16.048 -12.590 1.00 42.23 H new ATOM 0 HB2 LYS A 66 -20.194 -18.937 -13.316 1.00 73.31 H new ATOM 0 HB3 LYS A 66 -21.149 -18.088 -12.117 1.00 73.31 H new ATOM 0 HG2 LYS A 66 -20.761 -17.090 -14.960 1.00 12.22 H new ATOM 0 HG3 LYS A 66 -22.104 -18.101 -14.463 1.00 12.22 H new ATOM 0 HD2 LYS A 66 -23.098 -16.421 -13.203 1.00 22.04 H new ATOM 0 HD3 LYS A 66 -21.575 -15.635 -12.839 1.00 22.04 H new ATOM 0 HE2 LYS A 66 -22.780 -14.207 -14.362 1.00 61.33 H new ATOM 0 HE3 LYS A 66 -21.428 -14.895 -15.241 1.00 61.33 H new ATOM 0 HZ1 LYS A 66 -23.455 -14.980 -16.541 1.00 14.00 H new ATOM 0 HZ2 LYS A 66 -22.925 -16.555 -16.189 1.00 14.00 H new ATOM 0 HZ3 LYS A 66 -24.234 -15.889 -15.337 1.00 14.00 H new ATOM 1103 N GLN A 67 -18.044 -18.619 -11.257 1.00 60.21 N ATOM 1104 CA GLN A 67 -17.467 -19.125 -10.017 1.00 13.20 C ATOM 1105 C GLN A 67 -16.541 -18.091 -9.386 1.00 44.22 C ATOM 1106 O GLN A 67 -16.620 -17.820 -8.188 1.00 31.44 O ATOM 1107 CB GLN A 67 -16.700 -20.422 -10.278 1.00 74.33 C ATOM 1108 CG GLN A 67 -17.598 -21.640 -10.425 1.00 62.44 C ATOM 1109 CD GLN A 67 -18.423 -21.911 -9.183 1.00 13.41 C ATOM 1110 OE1 GLN A 67 -17.974 -22.592 -8.261 1.00 61.42 O ATOM 1111 NE2 GLN A 67 -19.638 -21.376 -9.151 1.00 54.02 N ATOM 0 H GLN A 67 -17.836 -19.183 -12.081 1.00 60.21 H new ATOM 0 HA GLN A 67 -18.283 -19.327 -9.323 1.00 13.20 H new ATOM 0 HB2 GLN A 67 -16.106 -20.307 -11.185 1.00 74.33 H new ATOM 0 HB3 GLN A 67 -16.001 -20.593 -9.459 1.00 74.33 H new ATOM 0 HG2 GLN A 67 -18.265 -21.494 -11.275 1.00 62.44 H new ATOM 0 HG3 GLN A 67 -16.985 -22.514 -10.647 1.00 62.44 H new ATOM 0 HE21 GLN A 67 -19.970 -20.818 -9.937 1.00 54.02 H new ATOM 0 HE22 GLN A 67 -20.239 -21.523 -8.340 1.00 54.02 H new ATOM 1120 N TYR A 68 -15.662 -17.516 -10.200 1.00 74.14 N ATOM 1121 CA TYR A 68 -14.718 -16.514 -9.721 1.00 53.53 C ATOM 1122 C TYR A 68 -15.447 -15.252 -9.268 1.00 23.15 C ATOM 1123 O TYR A 68 -14.993 -14.551 -8.363 1.00 31.44 O ATOM 1124 CB TYR A 68 -13.710 -16.167 -10.818 1.00 40.11 C ATOM 1125 CG TYR A 68 -12.816 -14.998 -10.471 1.00 41.02 C ATOM 1126 CD1 TYR A 68 -11.654 -15.182 -9.732 1.00 43.15 C ATOM 1127 CD2 TYR A 68 -13.133 -13.709 -10.883 1.00 72.42 C ATOM 1128 CE1 TYR A 68 -10.835 -14.117 -9.413 1.00 5.53 C ATOM 1129 CE2 TYR A 68 -12.319 -12.638 -10.569 1.00 71.33 C ATOM 1130 CZ TYR A 68 -11.171 -12.847 -9.833 1.00 53.15 C ATOM 1131 OH TYR A 68 -10.357 -11.783 -9.518 1.00 71.32 O ATOM 0 H TYR A 68 -15.584 -17.727 -11.195 1.00 74.14 H new ATOM 0 HA TYR A 68 -14.186 -16.932 -8.866 1.00 53.53 H new ATOM 0 HB2 TYR A 68 -13.090 -17.041 -11.020 1.00 40.11 H new ATOM 0 HB3 TYR A 68 -14.250 -15.940 -11.737 1.00 40.11 H new ATOM 0 HD1 TYR A 68 -11.387 -16.175 -9.401 1.00 43.15 H new ATOM 0 HD2 TYR A 68 -14.031 -13.542 -11.459 1.00 72.42 H new ATOM 0 HE1 TYR A 68 -9.935 -14.278 -8.837 1.00 5.53 H new ATOM 0 HE2 TYR A 68 -12.580 -11.643 -10.898 1.00 71.33 H new ATOM 0 HH TYR A 68 -10.736 -10.960 -9.890 1.00 71.32 H new ATOM 1141 N ASP A 69 -16.579 -14.970 -9.902 1.00 60.15 N ATOM 1142 CA ASP A 69 -17.373 -13.795 -9.564 1.00 41.53 C ATOM 1143 C ASP A 69 -17.933 -13.906 -8.150 1.00 3.54 C ATOM 1144 O ASP A 69 -18.178 -12.897 -7.488 1.00 22.53 O ATOM 1145 CB ASP A 69 -18.515 -13.619 -10.566 1.00 13.11 C ATOM 1146 CG ASP A 69 -19.213 -12.281 -10.420 1.00 3.31 C ATOM 1147 OD1 ASP A 69 -20.217 -12.212 -9.681 1.00 34.30 O ATOM 1148 OD2 ASP A 69 -18.753 -11.302 -11.044 1.00 13.42 O ATOM 0 H ASP A 69 -16.968 -15.539 -10.654 1.00 60.15 H new ATOM 0 HA ASP A 69 -16.722 -12.922 -9.610 1.00 41.53 H new ATOM 0 HB2 ASP A 69 -18.123 -13.712 -11.579 1.00 13.11 H new ATOM 0 HB3 ASP A 69 -19.241 -14.421 -10.430 1.00 13.11 H new ATOM 1153 N ALA A 70 -18.134 -15.137 -7.693 1.00 64.41 N ATOM 1154 CA ALA A 70 -18.664 -15.380 -6.357 1.00 64.12 C ATOM 1155 C ALA A 70 -17.689 -14.904 -5.285 1.00 71.21 C ATOM 1156 O ALA A 70 -18.099 -14.474 -4.207 1.00 20.54 O ATOM 1157 CB ALA A 70 -18.974 -16.858 -6.173 1.00 25.32 C ATOM 0 H ALA A 70 -17.938 -15.983 -8.229 1.00 64.41 H new ATOM 0 HA ALA A 70 -19.587 -14.811 -6.250 1.00 64.12 H new ATOM 0 HB1 ALA A 70 -19.369 -17.025 -5.171 1.00 25.32 H new ATOM 0 HB2 ALA A 70 -19.713 -17.169 -6.911 1.00 25.32 H new ATOM 0 HB3 ALA A 70 -18.062 -17.440 -6.305 1.00 25.32 H new ATOM 1163 N TYR A 71 -16.398 -14.984 -5.588 1.00 73.32 N ATOM 1164 CA TYR A 71 -15.365 -14.565 -4.649 1.00 12.41 C ATOM 1165 C TYR A 71 -14.588 -13.369 -5.192 1.00 32.21 C ATOM 1166 O TYR A 71 -13.429 -13.156 -4.841 1.00 24.44 O ATOM 1167 CB TYR A 71 -14.407 -15.722 -4.362 1.00 11.25 C ATOM 1168 CG TYR A 71 -15.072 -16.909 -3.701 1.00 42.43 C ATOM 1169 CD1 TYR A 71 -15.698 -16.781 -2.467 1.00 64.22 C ATOM 1170 CD2 TYR A 71 -15.073 -18.157 -4.311 1.00 33.14 C ATOM 1171 CE1 TYR A 71 -16.306 -17.863 -1.860 1.00 3.24 C ATOM 1172 CE2 TYR A 71 -15.680 -19.244 -3.711 1.00 51.22 C ATOM 1173 CZ TYR A 71 -16.295 -19.092 -2.486 1.00 3.32 C ATOM 1174 OH TYR A 71 -16.899 -20.172 -1.885 1.00 31.02 O ATOM 0 H TYR A 71 -16.042 -15.335 -6.477 1.00 73.32 H new ATOM 0 HA TYR A 71 -15.853 -14.268 -3.721 1.00 12.41 H new ATOM 0 HB2 TYR A 71 -13.951 -16.046 -5.298 1.00 11.25 H new ATOM 0 HB3 TYR A 71 -13.601 -15.365 -3.722 1.00 11.25 H new ATOM 0 HD1 TYR A 71 -15.709 -15.820 -1.974 1.00 64.22 H new ATOM 0 HD2 TYR A 71 -14.592 -18.280 -5.270 1.00 33.14 H new ATOM 0 HE1 TYR A 71 -16.787 -17.747 -0.900 1.00 3.24 H new ATOM 0 HE2 TYR A 71 -15.673 -20.207 -4.199 1.00 51.22 H new ATOM 0 HH TYR A 71 -16.802 -20.961 -2.458 1.00 31.02 H new ATOM 1184 N GLY A 72 -15.238 -12.590 -6.052 1.00 21.41 N ATOM 1185 CA GLY A 72 -14.594 -11.425 -6.630 1.00 72.41 C ATOM 1186 C GLY A 72 -15.198 -10.125 -6.138 1.00 20.14 C ATOM 1187 O GLY A 72 -16.418 -9.999 -6.034 1.00 31.40 O ATOM 0 H GLY A 72 -16.198 -12.745 -6.358 1.00 21.41 H new ATOM 0 HA2 GLY A 72 -13.532 -11.443 -6.387 1.00 72.41 H new ATOM 0 HA3 GLY A 72 -14.674 -11.471 -7.716 1.00 72.41 H new ATOM 1191 N SER A 73 -14.342 -9.155 -5.831 1.00 61.54 N ATOM 1192 CA SER A 73 -14.798 -7.860 -5.342 1.00 2.15 C ATOM 1193 C SER A 73 -15.276 -6.981 -6.493 1.00 71.24 C ATOM 1194 O SER A 73 -15.852 -5.916 -6.277 1.00 21.22 O ATOM 1195 CB SER A 73 -13.674 -7.155 -4.580 1.00 2.22 C ATOM 1196 OG SER A 73 -14.194 -6.193 -3.679 1.00 1.33 O ATOM 0 H SER A 73 -13.329 -9.242 -5.913 1.00 61.54 H new ATOM 0 HA SER A 73 -15.636 -8.030 -4.666 1.00 2.15 H new ATOM 0 HB2 SER A 73 -13.085 -7.890 -4.032 1.00 2.22 H new ATOM 0 HB3 SER A 73 -13.000 -6.670 -5.286 1.00 2.22 H new ATOM 0 HG SER A 73 -14.936 -5.714 -4.104 1.00 1.33 H new TER 1202 SER A 73