USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=18 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 35 HIS : no HE2:sc= -0.985 K(o=-0.98,f=-4.2!) USER MOD Set 1.2: A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 HIS : no HD1:sc= -0.0023 X(o=-0.0023,f=-0.0023) USER MOD Single : A 1 HIS N :NH3+ 172:sc= -0.0988 (180deg=-0.273) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -64:sc= 0.562 USER MOD Single : A 9 TYR OH : rot 53:sc= 0.422 USER MOD Single : A 10 GLN : amide:sc= -0.973 X(o=-0.97,f=-0.73) USER MOD Single : A 17 ASN : amide:sc= -0.125 K(o=-0.13,f=-1.6!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.783 F(o=-3.1,f=-0.78) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.794 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.23) USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= 0.807 (180deg=0.55) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -3.14 X(o=-3.1,f=-3.4) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 152:sc= -0.128 (180deg=-0.697) 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= -0.0447 X(o=-0.045,f=-0.17) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.389 USER MOD Single : A 60 SER OG : rot -11:sc= 0.157! 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= -0.593 X(o=-0.59,f=-0.29) USER MOD Single : A 68 TYR OH : rot 30:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -1.342 3.199 0.064 1.00 35.33 N ATOM 2 CA HIS A 1 -0.698 2.815 -1.187 1.00 11.52 C ATOM 3 C HIS A 1 -0.952 1.344 -1.500 1.00 53.14 C ATOM 4 O HIS A 1 -0.132 0.685 -2.139 1.00 54.31 O ATOM 5 CB HIS A 1 0.806 3.081 -1.112 1.00 71.45 C ATOM 6 CG HIS A 1 1.155 4.535 -1.036 1.00 54.22 C ATOM 7 ND1 HIS A 1 1.834 5.092 0.027 1.00 32.51 N ATOM 8 CD2 HIS A 1 0.916 5.549 -1.900 1.00 54.42 C ATOM 9 CE1 HIS A 1 1.996 6.385 -0.185 1.00 50.33 C ATOM 10 NE2 HIS A 1 1.448 6.688 -1.348 1.00 42.53 N ATOM 0 H1 HIS A 1 -1.046 4.161 0.326 1.00 35.33 H new ATOM 0 H2 HIS A 1 -2.375 3.175 -0.056 1.00 35.33 H new ATOM 0 H3 HIS A 1 -1.065 2.535 0.815 1.00 35.33 H new ATOM 0 HA HIS A 1 -1.127 3.417 -1.988 1.00 11.52 H new ATOM 0 HB2 HIS A 1 1.213 2.572 -0.238 1.00 71.45 H new ATOM 0 HB3 HIS A 1 1.288 2.646 -1.988 1.00 71.45 H new ATOM 0 HD2 HIS A 1 0.402 5.476 -2.847 1.00 54.42 H new ATOM 0 HE1 HIS A 1 2.492 7.077 0.479 1.00 50.33 H new ATOM 0 HE2 HIS A 1 1.424 7.617 -1.768 1.00 42.53 H new ATOM 18 N MET A 2 -2.093 0.836 -1.046 1.00 30.21 N ATOM 19 CA MET A 2 -2.455 -0.558 -1.279 1.00 3.33 C ATOM 20 C MET A 2 -3.329 -0.692 -2.522 1.00 22.14 C ATOM 21 O MET A 2 -4.395 -0.081 -2.612 1.00 65.15 O ATOM 22 CB MET A 2 -3.187 -1.127 -0.062 1.00 62.00 C ATOM 23 CG MET A 2 -2.347 -1.131 1.205 1.00 34.32 C ATOM 24 SD MET A 2 -3.350 -1.189 2.703 1.00 54.25 S ATOM 25 CE MET A 2 -2.906 0.369 3.468 1.00 73.44 C ATOM 0 H MET A 2 -2.783 1.368 -0.515 1.00 30.21 H new ATOM 0 HA MET A 2 -1.537 -1.124 -1.439 1.00 3.33 H new ATOM 0 HB2 MET A 2 -4.091 -0.544 0.113 1.00 62.00 H new ATOM 0 HB3 MET A 2 -3.503 -2.147 -0.282 1.00 62.00 H new ATOM 0 HG2 MET A 2 -1.676 -1.989 1.188 1.00 34.32 H new ATOM 0 HG3 MET A 2 -1.722 -0.238 1.225 1.00 34.32 H new ATOM 0 HE1 MET A 2 -3.447 0.480 4.408 1.00 73.44 H new ATOM 0 HE2 MET A 2 -1.834 0.387 3.662 1.00 73.44 H new ATOM 0 HE3 MET A 2 -3.167 1.190 2.800 1.00 73.44 H new ATOM 35 N LEU A 3 -2.872 -1.494 -3.477 1.00 21.33 N ATOM 36 CA LEU A 3 -3.613 -1.709 -4.715 1.00 44.31 C ATOM 37 C LEU A 3 -4.855 -2.558 -4.467 1.00 11.25 C ATOM 38 O LEU A 3 -4.813 -3.532 -3.716 1.00 31.10 O ATOM 39 CB LEU A 3 -2.719 -2.385 -5.756 1.00 41.45 C ATOM 40 CG LEU A 3 -1.746 -1.470 -6.501 1.00 25.02 C ATOM 41 CD1 LEU A 3 -0.560 -2.266 -7.025 1.00 0.44 C ATOM 42 CD2 LEU A 3 -2.454 -0.752 -7.640 1.00 62.15 C ATOM 0 H LEU A 3 -1.992 -2.006 -3.418 1.00 21.33 H new ATOM 0 HA LEU A 3 -3.930 -0.737 -5.093 1.00 44.31 H new ATOM 0 HB2 LEU A 3 -2.144 -3.166 -5.259 1.00 41.45 H new ATOM 0 HB3 LEU A 3 -3.358 -2.877 -6.490 1.00 41.45 H new ATOM 0 HG LEU A 3 -1.374 -0.721 -5.802 1.00 25.02 H new ATOM 0 HD11 LEU A 3 0.122 -1.599 -7.552 1.00 0.44 H new ATOM 0 HD12 LEU A 3 -0.037 -2.733 -6.190 1.00 0.44 H new ATOM 0 HD13 LEU A 3 -0.913 -3.038 -7.709 1.00 0.44 H new ATOM 0 HD21 LEU A 3 -1.746 -0.106 -8.159 1.00 62.15 H new ATOM 0 HD22 LEU A 3 -2.855 -1.486 -8.339 1.00 62.15 H new ATOM 0 HD23 LEU A 3 -3.269 -0.149 -7.239 1.00 62.15 H new ATOM 54 N ALA A 4 -5.959 -2.182 -5.104 1.00 33.15 N ATOM 55 CA ALA A 4 -7.213 -2.911 -4.955 1.00 25.51 C ATOM 56 C ALA A 4 -7.227 -4.162 -5.827 1.00 64.21 C ATOM 57 O ALA A 4 -6.519 -4.239 -6.832 1.00 31.43 O ATOM 58 CB ALA A 4 -8.391 -2.012 -5.299 1.00 64.23 C ATOM 0 H ALA A 4 -6.011 -1.377 -5.728 1.00 33.15 H new ATOM 0 HA ALA A 4 -7.301 -3.224 -3.915 1.00 25.51 H new ATOM 0 HB1 ALA A 4 -9.320 -2.570 -5.183 1.00 64.23 H new ATOM 0 HB2 ALA A 4 -8.399 -1.151 -4.631 1.00 64.23 H new ATOM 0 HB3 ALA A 4 -8.299 -1.670 -6.330 1.00 64.23 H new ATOM 64 N LYS A 5 -8.036 -5.141 -5.437 1.00 21.03 N ATOM 65 CA LYS A 5 -8.143 -6.389 -6.183 1.00 33.23 C ATOM 66 C LYS A 5 -8.538 -6.125 -7.632 1.00 54.50 C ATOM 67 O LYS A 5 -9.284 -5.189 -7.920 1.00 34.31 O ATOM 68 CB LYS A 5 -9.169 -7.314 -5.524 1.00 71.41 C ATOM 69 CG LYS A 5 -8.759 -7.791 -4.142 1.00 24.43 C ATOM 70 CD LYS A 5 -9.969 -8.072 -3.267 1.00 3.25 C ATOM 71 CE LYS A 5 -9.557 -8.546 -1.881 1.00 42.51 C ATOM 72 NZ LYS A 5 -10.737 -8.874 -1.034 1.00 25.41 N ATOM 0 H LYS A 5 -8.628 -5.094 -4.608 1.00 21.03 H new ATOM 0 HA LYS A 5 -7.167 -6.874 -6.174 1.00 33.23 H new ATOM 0 HB2 LYS A 5 -10.123 -6.791 -5.451 1.00 71.41 H new ATOM 0 HB3 LYS A 5 -9.329 -8.181 -6.165 1.00 71.41 H new ATOM 0 HG2 LYS A 5 -8.156 -8.695 -4.232 1.00 24.43 H new ATOM 0 HG3 LYS A 5 -8.133 -7.036 -3.667 1.00 24.43 H new ATOM 0 HD2 LYS A 5 -10.573 -7.169 -3.179 1.00 3.25 H new ATOM 0 HD3 LYS A 5 -10.594 -8.829 -3.741 1.00 3.25 H new ATOM 0 HE2 LYS A 5 -8.920 -9.426 -1.972 1.00 42.51 H new ATOM 0 HE3 LYS A 5 -8.964 -7.772 -1.394 1.00 42.51 H new ATOM 0 HZ1 LYS A 5 -10.415 -9.193 -0.098 1.00 25.41 H new ATOM 0 HZ2 LYS A 5 -11.332 -8.028 -0.925 1.00 25.41 H new ATOM 0 HZ3 LYS A 5 -11.289 -9.630 -1.486 1.00 25.41 H new ATOM 86 N GLU A 6 -8.034 -6.955 -8.539 1.00 51.04 N ATOM 87 CA GLU A 6 -8.336 -6.810 -9.958 1.00 51.45 C ATOM 88 C GLU A 6 -9.041 -8.052 -10.495 1.00 23.30 C ATOM 89 O GLU A 6 -8.738 -9.174 -10.089 1.00 31.53 O ATOM 90 CB GLU A 6 -7.053 -6.555 -10.752 1.00 50.32 C ATOM 91 CG GLU A 6 -6.630 -5.096 -10.773 1.00 4.44 C ATOM 92 CD GLU A 6 -7.703 -4.184 -11.334 1.00 75.35 C ATOM 93 OE1 GLU A 6 -8.022 -4.312 -12.535 1.00 41.41 O ATOM 94 OE2 GLU A 6 -8.226 -3.344 -10.572 1.00 43.35 O ATOM 0 H GLU A 6 -7.415 -7.735 -8.317 1.00 51.04 H new ATOM 0 HA GLU A 6 -9.003 -5.956 -10.075 1.00 51.45 H new ATOM 0 HB2 GLU A 6 -6.247 -7.152 -10.325 1.00 50.32 H new ATOM 0 HB3 GLU A 6 -7.196 -6.898 -11.777 1.00 50.32 H new ATOM 0 HG2 GLU A 6 -6.383 -4.779 -9.760 1.00 4.44 H new ATOM 0 HG3 GLU A 6 -5.723 -4.993 -11.369 1.00 4.44 H new ATOM 101 N ASP A 7 -9.982 -7.843 -11.409 1.00 64.31 N ATOM 102 CA ASP A 7 -10.730 -8.946 -12.002 1.00 44.33 C ATOM 103 C ASP A 7 -10.366 -9.119 -13.474 1.00 34.12 C ATOM 104 O ASP A 7 -9.875 -8.191 -14.116 1.00 5.21 O ATOM 105 CB ASP A 7 -12.233 -8.705 -11.860 1.00 53.54 C ATOM 106 CG ASP A 7 -12.592 -8.045 -10.543 1.00 71.51 C ATOM 107 OD1 ASP A 7 -11.986 -8.409 -9.514 1.00 3.31 O ATOM 108 OD2 ASP A 7 -13.480 -7.167 -10.541 1.00 70.02 O ATOM 0 H ASP A 7 -10.245 -6.920 -11.755 1.00 64.31 H new ATOM 0 HA ASP A 7 -10.465 -9.860 -11.471 1.00 44.33 H new ATOM 0 HB2 ASP A 7 -12.577 -8.078 -12.683 1.00 53.54 H new ATOM 0 HB3 ASP A 7 -12.760 -9.656 -11.942 1.00 53.54 H new ATOM 113 N TYR A 8 -10.611 -10.313 -14.001 1.00 62.52 N ATOM 114 CA TYR A 8 -10.306 -10.610 -15.396 1.00 13.01 C ATOM 115 C TYR A 8 -11.072 -9.678 -16.331 1.00 24.24 C ATOM 116 O TYR A 8 -10.624 -9.388 -17.440 1.00 62.43 O ATOM 117 CB TYR A 8 -10.649 -12.066 -15.716 1.00 42.13 C ATOM 118 CG TYR A 8 -10.074 -13.055 -14.727 1.00 53.22 C ATOM 119 CD1 TYR A 8 -10.833 -14.122 -14.262 1.00 63.45 C ATOM 120 CD2 TYR A 8 -8.774 -12.921 -14.257 1.00 21.33 C ATOM 121 CE1 TYR A 8 -10.312 -15.028 -13.358 1.00 74.13 C ATOM 122 CE2 TYR A 8 -8.245 -13.823 -13.354 1.00 1.02 C ATOM 123 CZ TYR A 8 -9.018 -14.874 -12.907 1.00 60.43 C ATOM 124 OH TYR A 8 -8.495 -15.774 -12.007 1.00 11.13 O ATOM 0 H TYR A 8 -11.020 -11.091 -13.484 1.00 62.52 H new ATOM 0 HA TYR A 8 -9.238 -10.453 -15.550 1.00 13.01 H new ATOM 0 HB2 TYR A 8 -11.733 -12.178 -15.741 1.00 42.13 H new ATOM 0 HB3 TYR A 8 -10.281 -12.306 -16.713 1.00 42.13 H new ATOM 0 HD1 TYR A 8 -11.847 -14.245 -14.613 1.00 63.45 H new ATOM 0 HD2 TYR A 8 -8.166 -12.098 -14.603 1.00 21.33 H new ATOM 0 HE1 TYR A 8 -10.915 -15.852 -13.007 1.00 74.13 H new ATOM 0 HE2 TYR A 8 -7.231 -13.706 -13.000 1.00 1.02 H new ATOM 0 HH TYR A 8 -8.997 -15.726 -11.167 1.00 11.13 H new ATOM 134 N TYR A 9 -12.228 -9.212 -15.873 1.00 52.13 N ATOM 135 CA TYR A 9 -13.058 -8.314 -16.668 1.00 32.23 C ATOM 136 C TYR A 9 -12.246 -7.125 -17.172 1.00 13.00 C ATOM 137 O TYR A 9 -12.337 -6.749 -18.340 1.00 70.23 O ATOM 138 CB TYR A 9 -14.247 -7.821 -15.842 1.00 14.40 C ATOM 139 CG TYR A 9 -15.145 -8.933 -15.348 1.00 51.34 C ATOM 140 CD1 TYR A 9 -15.060 -9.392 -14.040 1.00 61.41 C ATOM 141 CD2 TYR A 9 -16.079 -9.523 -16.191 1.00 34.24 C ATOM 142 CE1 TYR A 9 -15.878 -10.409 -13.585 1.00 45.34 C ATOM 143 CE2 TYR A 9 -16.902 -10.539 -15.744 1.00 73.11 C ATOM 144 CZ TYR A 9 -16.797 -10.979 -14.441 1.00 12.31 C ATOM 145 OH TYR A 9 -17.614 -11.990 -13.991 1.00 75.34 O ATOM 0 H TYR A 9 -12.612 -9.441 -14.956 1.00 52.13 H new ATOM 0 HA TYR A 9 -13.428 -8.869 -17.530 1.00 32.23 H new ATOM 0 HB2 TYR A 9 -13.875 -7.258 -14.986 1.00 14.40 H new ATOM 0 HB3 TYR A 9 -14.836 -7.131 -16.445 1.00 14.40 H new ATOM 0 HD1 TYR A 9 -14.342 -8.947 -13.367 1.00 61.41 H new ATOM 0 HD2 TYR A 9 -16.163 -9.182 -17.212 1.00 34.24 H new ATOM 0 HE1 TYR A 9 -15.798 -10.755 -12.565 1.00 45.34 H new ATOM 0 HE2 TYR A 9 -17.624 -10.986 -16.411 1.00 73.11 H new ATOM 0 HH TYR A 9 -18.074 -11.700 -13.175 1.00 75.34 H new ATOM 155 N GLN A 10 -11.453 -6.538 -16.282 1.00 21.44 N ATOM 156 CA GLN A 10 -10.625 -5.392 -16.636 1.00 4.25 C ATOM 157 C GLN A 10 -9.450 -5.818 -17.510 1.00 20.10 C ATOM 158 O GLN A 10 -9.108 -5.141 -18.480 1.00 12.10 O ATOM 159 CB GLN A 10 -10.110 -4.698 -15.373 1.00 34.21 C ATOM 160 CG GLN A 10 -11.205 -4.029 -14.558 1.00 11.23 C ATOM 161 CD GLN A 10 -10.809 -3.819 -13.109 1.00 71.44 C ATOM 162 OE1 GLN A 10 -10.284 -2.767 -12.743 1.00 73.42 O ATOM 163 NE2 GLN A 10 -11.059 -4.823 -12.276 1.00 40.41 N ATOM 0 H GLN A 10 -11.367 -6.837 -15.311 1.00 21.44 H new ATOM 0 HA GLN A 10 -11.241 -4.693 -17.202 1.00 4.25 H new ATOM 0 HB2 GLN A 10 -9.600 -5.431 -14.748 1.00 34.21 H new ATOM 0 HB3 GLN A 10 -9.370 -3.949 -15.656 1.00 34.21 H new ATOM 0 HG2 GLN A 10 -11.450 -3.066 -15.007 1.00 11.23 H new ATOM 0 HG3 GLN A 10 -12.107 -4.639 -14.599 1.00 11.23 H new ATOM 0 HE21 GLN A 10 -11.496 -5.677 -12.623 1.00 40.41 H new ATOM 0 HE22 GLN A 10 -10.814 -4.740 -11.289 1.00 40.41 H new ATOM 172 N ILE A 11 -8.836 -6.943 -17.160 1.00 72.41 N ATOM 173 CA ILE A 11 -7.700 -7.460 -17.914 1.00 14.41 C ATOM 174 C ILE A 11 -8.071 -7.693 -19.375 1.00 24.44 C ATOM 175 O ILE A 11 -7.204 -7.718 -20.250 1.00 13.50 O ATOM 176 CB ILE A 11 -7.177 -8.777 -17.312 1.00 2.24 C ATOM 177 CG1 ILE A 11 -6.770 -8.569 -15.851 1.00 71.03 C ATOM 178 CG2 ILE A 11 -6.003 -9.301 -18.125 1.00 23.24 C ATOM 179 CD1 ILE A 11 -6.602 -9.860 -15.081 1.00 74.12 C ATOM 0 H ILE A 11 -9.106 -7.514 -16.359 1.00 72.41 H new ATOM 0 HA ILE A 11 -6.914 -6.707 -17.857 1.00 14.41 H new ATOM 0 HB ILE A 11 -7.976 -9.518 -17.345 1.00 2.24 H new ATOM 0 HG12 ILE A 11 -5.834 -8.012 -15.819 1.00 71.03 H new ATOM 0 HG13 ILE A 11 -7.523 -7.956 -15.356 1.00 71.03 H new ATOM 0 HG21 ILE A 11 -5.644 -10.232 -17.687 1.00 23.24 H new ATOM 0 HG22 ILE A 11 -6.323 -9.482 -19.151 1.00 23.24 H new ATOM 0 HG23 ILE A 11 -5.199 -8.565 -18.120 1.00 23.24 H new ATOM 0 HD11 ILE A 11 -6.313 -9.636 -14.054 1.00 74.12 H new ATOM 0 HD12 ILE A 11 -7.543 -10.409 -15.082 1.00 74.12 H new ATOM 0 HD13 ILE A 11 -5.828 -10.466 -15.552 1.00 74.12 H new ATOM 191 N LEU A 12 -9.363 -7.864 -19.632 1.00 2.54 N ATOM 192 CA LEU A 12 -9.849 -8.094 -20.988 1.00 14.54 C ATOM 193 C LEU A 12 -10.580 -6.865 -21.520 1.00 13.05 C ATOM 194 O LEU A 12 -10.808 -6.738 -22.722 1.00 11.32 O ATOM 195 CB LEU A 12 -10.780 -9.307 -21.018 1.00 23.44 C ATOM 196 CG LEU A 12 -10.110 -10.660 -21.260 1.00 71.45 C ATOM 197 CD1 LEU A 12 -11.064 -11.796 -20.924 1.00 22.15 C ATOM 198 CD2 LEU A 12 -9.636 -10.770 -22.702 1.00 50.34 C ATOM 0 H LEU A 12 -10.093 -7.848 -18.920 1.00 2.54 H new ATOM 0 HA LEU A 12 -8.988 -8.288 -21.628 1.00 14.54 H new ATOM 0 HB2 LEU A 12 -11.315 -9.353 -20.069 1.00 23.44 H new ATOM 0 HB3 LEU A 12 -11.526 -9.149 -21.797 1.00 23.44 H new ATOM 0 HG LEU A 12 -9.242 -10.736 -20.605 1.00 71.45 H new ATOM 0 HD11 LEU A 12 -10.570 -12.751 -21.102 1.00 22.15 H new ATOM 0 HD12 LEU A 12 -11.355 -11.728 -19.876 1.00 22.15 H new ATOM 0 HD13 LEU A 12 -11.952 -11.724 -21.553 1.00 22.15 H new ATOM 0 HD21 LEU A 12 -9.162 -11.739 -22.856 1.00 50.34 H new ATOM 0 HD22 LEU A 12 -10.489 -10.672 -23.374 1.00 50.34 H new ATOM 0 HD23 LEU A 12 -8.918 -9.977 -22.910 1.00 50.34 H new ATOM 210 N GLY A 13 -10.944 -5.961 -20.615 1.00 0.12 N ATOM 211 CA GLY A 13 -11.643 -4.753 -21.012 1.00 73.15 C ATOM 212 C GLY A 13 -13.114 -4.998 -21.284 1.00 54.30 C ATOM 213 O GLY A 13 -13.751 -4.244 -22.021 1.00 20.24 O ATOM 0 H GLY A 13 -10.767 -6.044 -19.614 1.00 0.12 H new ATOM 0 HA2 GLY A 13 -11.542 -4.004 -20.227 1.00 73.15 H new ATOM 0 HA3 GLY A 13 -11.174 -4.343 -21.907 1.00 73.15 H new ATOM 217 N VAL A 14 -13.657 -6.056 -20.689 1.00 44.40 N ATOM 218 CA VAL A 14 -15.062 -6.398 -20.871 1.00 30.21 C ATOM 219 C VAL A 14 -15.858 -6.152 -19.594 1.00 5.30 C ATOM 220 O VAL A 14 -15.328 -6.204 -18.484 1.00 34.15 O ATOM 221 CB VAL A 14 -15.231 -7.870 -21.292 1.00 20.21 C ATOM 222 CG1 VAL A 14 -14.491 -8.142 -22.593 1.00 0.03 C ATOM 223 CG2 VAL A 14 -14.746 -8.798 -20.189 1.00 25.42 C ATOM 0 H VAL A 14 -13.144 -6.691 -20.077 1.00 44.40 H new ATOM 0 HA VAL A 14 -15.444 -5.754 -21.663 1.00 30.21 H new ATOM 0 HB VAL A 14 -16.291 -8.063 -21.458 1.00 20.21 H new ATOM 0 HG11 VAL A 14 -14.622 -9.187 -22.874 1.00 0.03 H new ATOM 0 HG12 VAL A 14 -14.890 -7.502 -23.379 1.00 0.03 H new ATOM 0 HG13 VAL A 14 -13.430 -7.933 -22.459 1.00 0.03 H new ATOM 0 HG21 VAL A 14 -14.873 -9.834 -20.503 1.00 25.42 H new ATOM 0 HG22 VAL A 14 -13.692 -8.606 -19.989 1.00 25.42 H new ATOM 0 HG23 VAL A 14 -15.325 -8.620 -19.283 1.00 25.42 H new ATOM 233 N PRO A 15 -17.161 -5.877 -19.753 1.00 3.45 N ATOM 234 CA PRO A 15 -18.058 -5.617 -18.623 1.00 32.42 C ATOM 235 C PRO A 15 -18.323 -6.869 -17.794 1.00 20.43 C ATOM 236 O PRO A 15 -17.877 -7.962 -18.143 1.00 23.41 O ATOM 237 CB PRO A 15 -19.347 -5.139 -19.296 1.00 71.42 C ATOM 238 CG PRO A 15 -19.310 -5.744 -20.657 1.00 41.44 C ATOM 239 CD PRO A 15 -17.858 -5.798 -21.047 1.00 15.21 C ATOM 0 HA PRO A 15 -17.634 -4.897 -17.923 1.00 32.42 H new ATOM 0 HB2 PRO A 15 -20.227 -5.465 -18.742 1.00 71.42 H new ATOM 0 HB3 PRO A 15 -19.387 -4.051 -19.347 1.00 71.42 H new ATOM 0 HG2 PRO A 15 -19.750 -6.741 -20.653 1.00 41.44 H new ATOM 0 HG3 PRO A 15 -19.882 -5.146 -21.366 1.00 41.44 H new ATOM 0 HD2 PRO A 15 -17.642 -6.663 -21.673 1.00 15.21 H new ATOM 0 HD3 PRO A 15 -17.560 -4.914 -21.611 1.00 15.21 H new ATOM 247 N ARG A 16 -19.052 -6.703 -16.695 1.00 3.31 N ATOM 248 CA ARG A 16 -19.375 -7.820 -15.816 1.00 11.02 C ATOM 249 C ARG A 16 -20.520 -8.649 -16.389 1.00 73.35 C ATOM 250 O ARG A 16 -20.838 -9.723 -15.880 1.00 14.35 O ATOM 251 CB ARG A 16 -19.749 -7.309 -14.423 1.00 61.21 C ATOM 252 CG ARG A 16 -18.648 -6.502 -13.755 1.00 11.22 C ATOM 253 CD ARG A 16 -18.742 -5.027 -14.114 1.00 35.22 C ATOM 254 NE ARG A 16 -18.140 -4.175 -13.092 1.00 21.41 N ATOM 255 CZ ARG A 16 -17.932 -2.873 -13.250 1.00 10.02 C ATOM 256 NH1 ARG A 16 -18.277 -2.276 -14.382 1.00 42.32 N ATOM 257 NH2 ARG A 16 -17.379 -2.165 -12.273 1.00 64.05 N ATOM 0 H ARG A 16 -19.430 -5.805 -16.392 1.00 3.31 H new ATOM 0 HA ARG A 16 -18.493 -8.455 -15.738 1.00 11.02 H new ATOM 0 HB2 ARG A 16 -20.644 -6.692 -14.500 1.00 61.21 H new ATOM 0 HB3 ARG A 16 -20.001 -8.159 -13.789 1.00 61.21 H new ATOM 0 HG2 ARG A 16 -18.715 -6.619 -12.673 1.00 11.22 H new ATOM 0 HG3 ARG A 16 -17.676 -6.890 -14.058 1.00 11.22 H new ATOM 0 HD2 ARG A 16 -18.245 -4.854 -15.069 1.00 35.22 H new ATOM 0 HD3 ARG A 16 -19.789 -4.752 -14.245 1.00 35.22 H new ATOM 0 HE ARG A 16 -17.864 -4.603 -12.208 1.00 21.41 H new ATOM 0 HH11 ARG A 16 -18.703 -2.817 -15.134 1.00 42.32 H new ATOM 0 HH12 ARG A 16 -18.116 -1.276 -14.501 1.00 42.32 H new ATOM 0 HH21 ARG A 16 -17.113 -2.621 -11.400 1.00 64.05 H new ATOM 0 HH22 ARG A 16 -17.220 -1.165 -12.395 1.00 64.05 H new ATOM 271 N ASN A 17 -21.136 -8.143 -17.453 1.00 1.10 N ATOM 272 CA ASN A 17 -22.247 -8.836 -18.095 1.00 64.34 C ATOM 273 C ASN A 17 -21.848 -9.335 -19.481 1.00 21.30 C ATOM 274 O ASN A 17 -22.663 -9.907 -20.204 1.00 60.30 O ATOM 275 CB ASN A 17 -23.459 -7.910 -18.204 1.00 51.52 C ATOM 276 CG ASN A 17 -24.287 -7.889 -16.934 1.00 2.14 C ATOM 277 OD1 ASN A 17 -24.335 -8.873 -16.195 1.00 1.41 O ATOM 278 ND2 ASN A 17 -24.944 -6.764 -16.674 1.00 22.51 N ATOM 0 H ASN A 17 -20.884 -7.256 -17.889 1.00 1.10 H new ATOM 0 HA ASN A 17 -22.510 -9.696 -17.480 1.00 64.34 H new ATOM 0 HB2 ASN A 17 -23.121 -6.899 -18.431 1.00 51.52 H new ATOM 0 HB3 ASN A 17 -24.084 -8.231 -19.037 1.00 51.52 H new ATOM 0 HD21 ASN A 17 -25.517 -6.691 -15.834 1.00 22.51 H new ATOM 0 HD22 ASN A 17 -24.875 -5.973 -17.315 1.00 22.51 H new ATOM 285 N ALA A 18 -20.589 -9.115 -19.844 1.00 5.44 N ATOM 286 CA ALA A 18 -20.081 -9.544 -21.141 1.00 3.13 C ATOM 287 C ALA A 18 -20.347 -11.028 -21.371 1.00 12.41 C ATOM 288 O ALA A 18 -20.545 -11.787 -20.423 1.00 13.15 O ATOM 289 CB ALA A 18 -18.592 -9.250 -21.248 1.00 23.30 C ATOM 0 H ALA A 18 -19.902 -8.642 -19.258 1.00 5.44 H new ATOM 0 HA ALA A 18 -20.607 -8.983 -21.913 1.00 3.13 H new ATOM 0 HB1 ALA A 18 -18.226 -9.576 -22.222 1.00 23.30 H new ATOM 0 HB2 ALA A 18 -18.424 -8.179 -21.137 1.00 23.30 H new ATOM 0 HB3 ALA A 18 -18.058 -9.785 -20.462 1.00 23.30 H new ATOM 295 N SER A 19 -20.351 -11.434 -22.636 1.00 74.04 N ATOM 296 CA SER A 19 -20.598 -12.827 -22.991 1.00 53.33 C ATOM 297 C SER A 19 -19.314 -13.504 -23.461 1.00 11.44 C ATOM 298 O SER A 19 -18.294 -12.847 -23.668 1.00 13.43 O ATOM 299 CB SER A 19 -21.664 -12.915 -24.085 1.00 70.13 C ATOM 300 OG SER A 19 -22.690 -11.960 -23.876 1.00 42.13 O ATOM 0 H SER A 19 -20.186 -10.819 -23.433 1.00 74.04 H new ATOM 0 HA SER A 19 -20.956 -13.345 -22.101 1.00 53.33 H new ATOM 0 HB2 SER A 19 -21.204 -12.751 -25.059 1.00 70.13 H new ATOM 0 HB3 SER A 19 -22.093 -13.917 -24.099 1.00 70.13 H new ATOM 0 HG SER A 19 -23.358 -12.036 -24.589 1.00 42.13 H new ATOM 306 N GLN A 20 -19.373 -14.821 -23.626 1.00 34.12 N ATOM 307 CA GLN A 20 -18.215 -15.588 -24.070 1.00 13.31 C ATOM 308 C GLN A 20 -17.800 -15.180 -25.480 1.00 14.44 C ATOM 309 O GLN A 20 -16.637 -15.313 -25.859 1.00 62.43 O ATOM 310 CB GLN A 20 -18.523 -17.086 -24.029 1.00 43.44 C ATOM 311 CG GLN A 20 -19.230 -17.527 -22.759 1.00 35.23 C ATOM 312 CD GLN A 20 -18.572 -16.986 -21.505 1.00 43.44 C ATOM 313 OE1 GLN A 20 -17.522 -17.659 -21.049 1.00 54.35 O flip ATOM 314 NE2 GLN A 20 -19.001 -15.973 -20.952 1.00 72.35 N flip ATOM 0 H GLN A 20 -20.210 -15.379 -23.459 1.00 34.12 H new ATOM 0 HA GLN A 20 -17.388 -15.376 -23.392 1.00 13.31 H new ATOM 0 HB2 GLN A 20 -19.142 -17.345 -24.888 1.00 43.44 H new ATOM 0 HB3 GLN A 20 -17.591 -17.643 -24.128 1.00 43.44 H new ATOM 0 HG2 GLN A 20 -20.268 -17.195 -22.792 1.00 35.23 H new ATOM 0 HG3 GLN A 20 -19.245 -18.616 -22.716 1.00 35.23 H new ATOM 0 HE21 GLN A 20 -19.811 -15.486 -21.336 1.00 72.35 H new ATOM 0 HE22 GLN A 20 -18.546 -15.620 -20.110 1.00 72.35 H new ATOM 323 N LYS A 21 -18.760 -14.681 -26.252 1.00 64.44 N ATOM 324 CA LYS A 21 -18.495 -14.252 -27.621 1.00 20.54 C ATOM 325 C LYS A 21 -17.780 -12.905 -27.640 1.00 22.32 C ATOM 326 O LYS A 21 -16.824 -12.711 -28.390 1.00 54.14 O ATOM 327 CB LYS A 21 -19.803 -14.159 -28.410 1.00 0.25 C ATOM 328 CG LYS A 21 -20.547 -15.479 -28.512 1.00 15.31 C ATOM 329 CD LYS A 21 -21.847 -15.327 -29.284 1.00 34.31 C ATOM 330 CE LYS A 21 -22.509 -16.674 -29.531 1.00 32.42 C ATOM 331 NZ LYS A 21 -23.381 -16.651 -30.738 1.00 14.05 N ATOM 0 H LYS A 21 -19.728 -14.564 -25.953 1.00 64.44 H new ATOM 0 HA LYS A 21 -17.848 -14.993 -28.089 1.00 20.54 H new ATOM 0 HB2 LYS A 21 -20.451 -13.422 -27.937 1.00 0.25 H new ATOM 0 HB3 LYS A 21 -19.587 -13.795 -29.414 1.00 0.25 H new ATOM 0 HG2 LYS A 21 -19.914 -16.217 -29.005 1.00 15.31 H new ATOM 0 HG3 LYS A 21 -20.759 -15.857 -27.512 1.00 15.31 H new ATOM 0 HD2 LYS A 21 -22.528 -14.682 -28.729 1.00 34.31 H new ATOM 0 HD3 LYS A 21 -21.650 -14.837 -30.237 1.00 34.31 H new ATOM 0 HE2 LYS A 21 -21.742 -17.439 -29.652 1.00 32.42 H new ATOM 0 HE3 LYS A 21 -23.102 -16.952 -28.660 1.00 32.42 H new ATOM 0 HZ1 LYS A 21 -23.813 -17.587 -30.872 1.00 14.05 H new ATOM 0 HZ2 LYS A 21 -24.129 -15.939 -30.613 1.00 14.05 H new ATOM 0 HZ3 LYS A 21 -22.811 -16.411 -31.574 1.00 14.05 H new ATOM 345 N GLU A 22 -18.248 -11.980 -26.809 1.00 14.34 N ATOM 346 CA GLU A 22 -17.652 -10.651 -26.731 1.00 21.31 C ATOM 347 C GLU A 22 -16.226 -10.726 -26.192 1.00 50.14 C ATOM 348 O GLU A 22 -15.338 -10.009 -26.655 1.00 54.31 O ATOM 349 CB GLU A 22 -18.498 -9.739 -25.840 1.00 71.23 C ATOM 350 CG GLU A 22 -17.895 -8.360 -25.635 1.00 13.24 C ATOM 351 CD GLU A 22 -18.925 -7.330 -25.211 1.00 70.32 C ATOM 352 OE1 GLU A 22 -19.929 -7.722 -24.580 1.00 53.41 O ATOM 353 OE2 GLU A 22 -18.727 -6.134 -25.511 1.00 32.42 O ATOM 0 H GLU A 22 -19.038 -12.126 -26.180 1.00 14.34 H new ATOM 0 HA GLU A 22 -17.621 -10.235 -27.738 1.00 21.31 H new ATOM 0 HB2 GLU A 22 -19.489 -9.631 -26.281 1.00 71.23 H new ATOM 0 HB3 GLU A 22 -18.632 -10.216 -24.869 1.00 71.23 H new ATOM 0 HG2 GLU A 22 -17.112 -8.419 -24.879 1.00 13.24 H new ATOM 0 HG3 GLU A 22 -17.420 -8.034 -26.560 1.00 13.24 H new ATOM 360 N ILE A 23 -16.015 -11.598 -25.212 1.00 50.32 N ATOM 361 CA ILE A 23 -14.698 -11.766 -24.611 1.00 21.40 C ATOM 362 C ILE A 23 -13.669 -12.191 -25.653 1.00 25.44 C ATOM 363 O ILE A 23 -12.501 -11.806 -25.582 1.00 14.10 O ATOM 364 CB ILE A 23 -14.726 -12.809 -23.478 1.00 23.11 C ATOM 365 CG1 ILE A 23 -15.682 -12.364 -22.369 1.00 70.43 C ATOM 366 CG2 ILE A 23 -13.326 -13.025 -22.922 1.00 41.03 C ATOM 367 CD1 ILE A 23 -16.336 -13.516 -21.638 1.00 0.53 C ATOM 0 H ILE A 23 -16.739 -12.199 -24.818 1.00 50.32 H new ATOM 0 HA ILE A 23 -14.414 -10.799 -24.197 1.00 21.40 H new ATOM 0 HB ILE A 23 -15.085 -13.755 -23.884 1.00 23.11 H new ATOM 0 HG12 ILE A 23 -15.134 -11.753 -21.652 1.00 70.43 H new ATOM 0 HG13 ILE A 23 -16.457 -11.731 -22.801 1.00 70.43 H new ATOM 0 HG21 ILE A 23 -13.362 -13.765 -22.122 1.00 41.03 H new ATOM 0 HG22 ILE A 23 -12.670 -13.381 -23.716 1.00 41.03 H new ATOM 0 HG23 ILE A 23 -12.942 -12.084 -22.529 1.00 41.03 H new ATOM 0 HD11 ILE A 23 -17.000 -13.127 -20.866 1.00 0.53 H new ATOM 0 HD12 ILE A 23 -16.912 -14.115 -22.344 1.00 0.53 H new ATOM 0 HD13 ILE A 23 -15.568 -14.137 -21.177 1.00 0.53 H new ATOM 379 N LYS A 24 -14.109 -12.987 -26.621 1.00 61.41 N ATOM 380 CA LYS A 24 -13.228 -13.463 -27.681 1.00 22.52 C ATOM 381 C LYS A 24 -12.675 -12.297 -28.494 1.00 32.21 C ATOM 382 O LYS A 24 -11.502 -12.288 -28.869 1.00 34.35 O ATOM 383 CB LYS A 24 -13.978 -14.430 -28.600 1.00 41.12 C ATOM 384 CG LYS A 24 -14.041 -15.851 -28.068 1.00 2.13 C ATOM 385 CD LYS A 24 -14.203 -16.861 -29.191 1.00 44.13 C ATOM 386 CE LYS A 24 -15.646 -16.942 -29.664 1.00 61.13 C ATOM 387 NZ LYS A 24 -15.940 -18.242 -30.329 1.00 24.14 N ATOM 0 H LYS A 24 -15.072 -13.317 -26.694 1.00 61.41 H new ATOM 0 HA LYS A 24 -12.393 -13.987 -27.217 1.00 22.52 H new ATOM 0 HB2 LYS A 24 -14.993 -14.062 -28.750 1.00 41.12 H new ATOM 0 HB3 LYS A 24 -13.495 -14.438 -29.577 1.00 41.12 H new ATOM 0 HG2 LYS A 24 -13.132 -16.071 -27.508 1.00 2.13 H new ATOM 0 HG3 LYS A 24 -14.875 -15.943 -27.372 1.00 2.13 H new ATOM 0 HD2 LYS A 24 -13.560 -16.584 -30.027 1.00 44.13 H new ATOM 0 HD3 LYS A 24 -13.876 -17.843 -28.849 1.00 44.13 H new ATOM 0 HE2 LYS A 24 -16.315 -16.810 -28.814 1.00 61.13 H new ATOM 0 HE3 LYS A 24 -15.847 -16.126 -30.358 1.00 61.13 H new ATOM 0 HZ1 LYS A 24 -16.933 -18.258 -30.637 1.00 24.14 H new ATOM 0 HZ2 LYS A 24 -15.319 -18.357 -31.156 1.00 24.14 H new ATOM 0 HZ3 LYS A 24 -15.773 -19.020 -29.659 1.00 24.14 H new ATOM 401 N LYS A 25 -13.527 -11.313 -28.763 1.00 22.33 N ATOM 402 CA LYS A 25 -13.124 -10.140 -29.529 1.00 1.01 C ATOM 403 C LYS A 25 -12.201 -9.245 -28.708 1.00 64.13 C ATOM 404 O LYS A 25 -11.149 -8.819 -29.185 1.00 20.31 O ATOM 405 CB LYS A 25 -14.356 -9.348 -29.974 1.00 23.40 C ATOM 406 CG LYS A 25 -15.084 -9.969 -31.153 1.00 73.41 C ATOM 407 CD LYS A 25 -16.516 -9.470 -31.249 1.00 73.33 C ATOM 408 CE LYS A 25 -16.568 -7.986 -31.577 1.00 74.15 C ATOM 409 NZ LYS A 25 -17.968 -7.483 -31.649 1.00 11.43 N ATOM 0 H LYS A 25 -14.501 -11.305 -28.461 1.00 22.33 H new ATOM 0 HA LYS A 25 -12.581 -10.481 -30.410 1.00 1.01 H new ATOM 0 HB2 LYS A 25 -15.046 -9.264 -29.135 1.00 23.40 H new ATOM 0 HB3 LYS A 25 -14.051 -8.336 -30.238 1.00 23.40 H new ATOM 0 HG2 LYS A 25 -14.553 -9.733 -32.075 1.00 73.41 H new ATOM 0 HG3 LYS A 25 -15.082 -11.054 -31.053 1.00 73.41 H new ATOM 0 HD2 LYS A 25 -17.048 -10.032 -32.017 1.00 73.33 H new ATOM 0 HD3 LYS A 25 -17.030 -9.654 -30.306 1.00 73.33 H new ATOM 0 HE2 LYS A 25 -16.020 -7.427 -30.819 1.00 74.15 H new ATOM 0 HE3 LYS A 25 -16.068 -7.807 -32.529 1.00 74.15 H new ATOM 0 HZ1 LYS A 25 -17.961 -6.468 -31.875 1.00 11.43 H new ATOM 0 HZ2 LYS A 25 -18.485 -7.999 -32.390 1.00 11.43 H new ATOM 0 HZ3 LYS A 25 -18.438 -7.631 -30.733 1.00 11.43 H new ATOM 423 N ALA A 26 -12.601 -8.965 -27.472 1.00 45.02 N ATOM 424 CA ALA A 26 -11.807 -8.124 -26.585 1.00 11.12 C ATOM 425 C ALA A 26 -10.457 -8.765 -26.283 1.00 44.32 C ATOM 426 O ALA A 26 -9.463 -8.070 -26.067 1.00 53.13 O ATOM 427 CB ALA A 26 -12.566 -7.855 -25.294 1.00 31.53 C ATOM 0 H ALA A 26 -13.470 -9.308 -27.062 1.00 45.02 H new ATOM 0 HA ALA A 26 -11.624 -7.176 -27.091 1.00 11.12 H new ATOM 0 HB1 ALA A 26 -11.961 -7.226 -24.641 1.00 31.53 H new ATOM 0 HB2 ALA A 26 -13.503 -7.347 -25.522 1.00 31.53 H new ATOM 0 HB3 ALA A 26 -12.778 -8.800 -24.793 1.00 31.53 H new ATOM 433 N TYR A 27 -10.427 -10.093 -26.269 1.00 52.43 N ATOM 434 CA TYR A 27 -9.199 -10.827 -25.991 1.00 22.02 C ATOM 435 C TYR A 27 -8.235 -10.744 -27.171 1.00 32.23 C ATOM 436 O TYR A 27 -7.018 -10.694 -26.991 1.00 32.02 O ATOM 437 CB TYR A 27 -9.515 -12.291 -25.678 1.00 4.53 C ATOM 438 CG TYR A 27 -8.287 -13.169 -25.589 1.00 33.22 C ATOM 439 CD1 TYR A 27 -7.199 -12.799 -24.808 1.00 41.13 C ATOM 440 CD2 TYR A 27 -8.215 -14.369 -26.286 1.00 14.11 C ATOM 441 CE1 TYR A 27 -6.075 -13.598 -24.725 1.00 31.05 C ATOM 442 CE2 TYR A 27 -7.096 -15.175 -26.207 1.00 14.02 C ATOM 443 CZ TYR A 27 -6.029 -14.785 -25.425 1.00 61.22 C ATOM 444 OH TYR A 27 -4.912 -15.585 -25.345 1.00 2.20 O ATOM 0 H TYR A 27 -11.240 -10.683 -26.447 1.00 52.43 H new ATOM 0 HA TYR A 27 -8.722 -10.371 -25.123 1.00 22.02 H new ATOM 0 HB2 TYR A 27 -10.058 -12.343 -24.734 1.00 4.53 H new ATOM 0 HB3 TYR A 27 -10.177 -12.684 -26.449 1.00 4.53 H new ATOM 0 HD1 TYR A 27 -7.233 -11.871 -24.256 1.00 41.13 H new ATOM 0 HD2 TYR A 27 -9.048 -14.677 -26.900 1.00 14.11 H new ATOM 0 HE1 TYR A 27 -5.237 -13.294 -24.115 1.00 31.05 H new ATOM 0 HE2 TYR A 27 -7.057 -16.105 -26.754 1.00 14.02 H new ATOM 0 HH TYR A 27 -5.042 -16.384 -25.897 1.00 2.20 H new ATOM 454 N TYR A 28 -8.789 -10.730 -28.378 1.00 41.30 N ATOM 455 CA TYR A 28 -7.980 -10.655 -29.589 1.00 11.31 C ATOM 456 C TYR A 28 -7.443 -9.242 -29.799 1.00 21.33 C ATOM 457 O TYR A 28 -6.258 -9.052 -30.070 1.00 3.12 O ATOM 458 CB TYR A 28 -8.803 -11.085 -30.804 1.00 61.14 C ATOM 459 CG TYR A 28 -8.067 -10.936 -32.117 1.00 75.11 C ATOM 460 CD1 TYR A 28 -8.604 -10.184 -33.155 1.00 11.11 C ATOM 461 CD2 TYR A 28 -6.837 -11.548 -32.320 1.00 42.10 C ATOM 462 CE1 TYR A 28 -7.936 -10.045 -34.356 1.00 72.43 C ATOM 463 CE2 TYR A 28 -6.161 -11.414 -33.517 1.00 51.34 C ATOM 464 CZ TYR A 28 -6.715 -10.662 -34.532 1.00 40.35 C ATOM 465 OH TYR A 28 -6.046 -10.527 -35.727 1.00 43.23 O ATOM 0 H TYR A 28 -9.795 -10.770 -28.544 1.00 41.30 H new ATOM 0 HA TYR A 28 -7.134 -11.332 -29.473 1.00 11.31 H new ATOM 0 HB2 TYR A 28 -9.101 -12.126 -30.680 1.00 61.14 H new ATOM 0 HB3 TYR A 28 -9.718 -10.493 -30.841 1.00 61.14 H new ATOM 0 HD1 TYR A 28 -9.560 -9.700 -33.020 1.00 11.11 H new ATOM 0 HD2 TYR A 28 -6.401 -12.139 -31.528 1.00 42.10 H new ATOM 0 HE1 TYR A 28 -8.367 -9.457 -35.152 1.00 72.43 H new ATOM 0 HE2 TYR A 28 -5.204 -11.895 -33.657 1.00 51.34 H new ATOM 0 HH TYR A 28 -5.201 -11.022 -35.687 1.00 43.23 H new ATOM 475 N GLN A 29 -8.324 -8.256 -29.670 1.00 54.13 N ATOM 476 CA GLN A 29 -7.940 -6.860 -29.846 1.00 25.54 C ATOM 477 C GLN A 29 -6.855 -6.466 -28.849 1.00 2.41 C ATOM 478 O GLN A 29 -5.985 -5.648 -29.153 1.00 15.41 O ATOM 479 CB GLN A 29 -9.157 -5.949 -29.680 1.00 62.04 C ATOM 480 CG GLN A 29 -9.579 -5.754 -28.233 1.00 71.30 C ATOM 481 CD GLN A 29 -10.749 -4.801 -28.090 1.00 32.23 C ATOM 482 OE1 GLN A 29 -10.684 -3.828 -27.338 1.00 64.10 O ATOM 483 NE2 GLN A 29 -11.829 -5.076 -28.812 1.00 20.20 N ATOM 0 H GLN A 29 -9.309 -8.397 -29.444 1.00 54.13 H new ATOM 0 HA GLN A 29 -7.543 -6.742 -30.854 1.00 25.54 H new ATOM 0 HB2 GLN A 29 -8.935 -4.976 -30.119 1.00 62.04 H new ATOM 0 HB3 GLN A 29 -9.993 -6.368 -30.240 1.00 62.04 H new ATOM 0 HG2 GLN A 29 -9.847 -6.719 -27.803 1.00 71.30 H new ATOM 0 HG3 GLN A 29 -8.733 -5.374 -27.660 1.00 71.30 H new ATOM 0 HE21 GLN A 29 -11.840 -5.893 -29.423 1.00 20.20 H new ATOM 0 HE22 GLN A 29 -12.648 -4.470 -28.756 1.00 20.20 H new ATOM 492 N LEU A 30 -6.912 -7.051 -27.658 1.00 25.02 N ATOM 493 CA LEU A 30 -5.934 -6.760 -26.615 1.00 23.20 C ATOM 494 C LEU A 30 -4.599 -7.435 -26.916 1.00 73.02 C ATOM 495 O LEU A 30 -3.537 -6.842 -26.733 1.00 10.43 O ATOM 496 CB LEU A 30 -6.457 -7.224 -25.254 1.00 42.53 C ATOM 497 CG LEU A 30 -6.836 -6.117 -24.269 1.00 32.51 C ATOM 498 CD1 LEU A 30 -7.882 -5.196 -24.878 1.00 5.23 C ATOM 499 CD2 LEU A 30 -7.344 -6.716 -22.965 1.00 53.23 C ATOM 0 H LEU A 30 -7.625 -7.730 -27.390 1.00 25.02 H new ATOM 0 HA LEU A 30 -5.777 -5.682 -26.589 1.00 23.20 H new ATOM 0 HB2 LEU A 30 -7.332 -7.852 -25.418 1.00 42.53 H new ATOM 0 HB3 LEU A 30 -5.697 -7.852 -24.789 1.00 42.53 H new ATOM 0 HG LEU A 30 -5.945 -5.528 -24.053 1.00 32.51 H new ATOM 0 HD11 LEU A 30 -8.139 -4.415 -24.163 1.00 5.23 H new ATOM 0 HD12 LEU A 30 -7.483 -4.741 -25.784 1.00 5.23 H new ATOM 0 HD13 LEU A 30 -8.775 -5.771 -25.124 1.00 5.23 H new ATOM 0 HD21 LEU A 30 -7.609 -5.915 -22.275 1.00 53.23 H new ATOM 0 HD22 LEU A 30 -8.223 -7.329 -23.164 1.00 53.23 H new ATOM 0 HD23 LEU A 30 -6.564 -7.334 -22.520 1.00 53.23 H new ATOM 511 N ALA A 31 -4.663 -8.678 -27.382 1.00 24.34 N ATOM 512 CA ALA A 31 -3.460 -9.432 -27.713 1.00 21.24 C ATOM 513 C ALA A 31 -2.623 -8.700 -28.756 1.00 5.14 C ATOM 514 O ALA A 31 -1.394 -8.787 -28.754 1.00 74.10 O ATOM 515 CB ALA A 31 -3.828 -10.822 -28.210 1.00 34.22 C ATOM 0 H ALA A 31 -5.535 -9.184 -27.539 1.00 24.34 H new ATOM 0 HA ALA A 31 -2.861 -9.529 -26.807 1.00 21.24 H new ATOM 0 HB1 ALA A 31 -2.920 -11.374 -28.453 1.00 34.22 H new ATOM 0 HB2 ALA A 31 -4.378 -11.353 -27.433 1.00 34.22 H new ATOM 0 HB3 ALA A 31 -4.451 -10.737 -29.101 1.00 34.22 H new ATOM 521 N LYS A 32 -3.294 -7.978 -29.646 1.00 73.34 N ATOM 522 CA LYS A 32 -2.613 -7.230 -30.696 1.00 1.43 C ATOM 523 C LYS A 32 -1.923 -5.996 -30.123 1.00 42.33 C ATOM 524 O LYS A 32 -0.930 -5.516 -30.672 1.00 14.22 O ATOM 525 CB LYS A 32 -3.608 -6.813 -31.782 1.00 25.14 C ATOM 526 CG LYS A 32 -4.254 -7.987 -32.497 1.00 44.22 C ATOM 527 CD LYS A 32 -5.662 -7.651 -32.960 1.00 25.21 C ATOM 528 CE LYS A 32 -5.650 -6.904 -34.284 1.00 44.35 C ATOM 529 NZ LYS A 32 -6.981 -6.936 -34.951 1.00 43.44 N ATOM 0 H LYS A 32 -4.310 -7.895 -29.661 1.00 73.34 H new ATOM 0 HA LYS A 32 -1.855 -7.878 -31.136 1.00 1.43 H new ATOM 0 HB2 LYS A 32 -4.388 -6.198 -31.332 1.00 25.14 H new ATOM 0 HB3 LYS A 32 -3.094 -6.190 -32.514 1.00 25.14 H new ATOM 0 HG2 LYS A 32 -3.646 -8.271 -33.356 1.00 44.22 H new ATOM 0 HG3 LYS A 32 -4.285 -8.848 -31.830 1.00 44.22 H new ATOM 0 HD2 LYS A 32 -6.241 -8.569 -33.064 1.00 25.21 H new ATOM 0 HD3 LYS A 32 -6.160 -7.045 -32.203 1.00 25.21 H new ATOM 0 HE2 LYS A 32 -5.354 -5.869 -34.114 1.00 44.35 H new ATOM 0 HE3 LYS A 32 -4.903 -7.345 -34.943 1.00 44.35 H new ATOM 0 HZ1 LYS A 32 -6.867 -6.730 -35.964 1.00 43.44 H new ATOM 0 HZ2 LYS A 32 -7.405 -7.878 -34.835 1.00 43.44 H new ATOM 0 HZ3 LYS A 32 -7.602 -6.221 -34.521 1.00 43.44 H new ATOM 543 N LYS A 33 -2.453 -5.487 -29.016 1.00 52.24 N ATOM 544 CA LYS A 33 -1.887 -4.310 -28.367 1.00 74.30 C ATOM 545 C LYS A 33 -0.545 -4.638 -27.720 1.00 75.42 C ATOM 546 O LYS A 33 0.375 -3.821 -27.730 1.00 24.24 O ATOM 547 CB LYS A 33 -2.855 -3.769 -27.312 1.00 73.53 C ATOM 548 CG LYS A 33 -4.114 -3.155 -27.900 1.00 30.21 C ATOM 549 CD LYS A 33 -5.024 -2.603 -26.815 1.00 61.42 C ATOM 550 CE LYS A 33 -5.775 -1.370 -27.292 1.00 50.31 C ATOM 551 NZ LYS A 33 -4.953 -0.135 -27.162 1.00 1.15 N ATOM 0 H LYS A 33 -3.274 -5.871 -28.549 1.00 52.24 H new ATOM 0 HA LYS A 33 -1.726 -3.548 -29.129 1.00 74.30 H new ATOM 0 HB2 LYS A 33 -3.136 -4.579 -26.639 1.00 73.53 H new ATOM 0 HB3 LYS A 33 -2.342 -3.019 -26.711 1.00 73.53 H new ATOM 0 HG2 LYS A 33 -3.842 -2.356 -28.590 1.00 30.21 H new ATOM 0 HG3 LYS A 33 -4.651 -3.907 -28.479 1.00 30.21 H new ATOM 0 HD2 LYS A 33 -5.737 -3.370 -26.512 1.00 61.42 H new ATOM 0 HD3 LYS A 33 -4.432 -2.352 -25.935 1.00 61.42 H new ATOM 0 HE2 LYS A 33 -6.068 -1.503 -28.333 1.00 50.31 H new ATOM 0 HE3 LYS A 33 -6.693 -1.258 -26.715 1.00 50.31 H new ATOM 0 HZ1 LYS A 33 -5.500 0.683 -27.497 1.00 1.15 H new ATOM 0 HZ2 LYS A 33 -4.695 0.007 -26.165 1.00 1.15 H new ATOM 0 HZ3 LYS A 33 -4.089 -0.231 -27.733 1.00 1.15 H new ATOM 565 N TYR A 34 -0.441 -5.839 -27.161 1.00 15.32 N ATOM 566 CA TYR A 34 0.788 -6.274 -26.509 1.00 32.13 C ATOM 567 C TYR A 34 1.542 -7.274 -27.380 1.00 42.31 C ATOM 568 O TYR A 34 2.280 -8.121 -26.877 1.00 23.24 O ATOM 569 CB TYR A 34 0.474 -6.901 -25.149 1.00 4.40 C ATOM 570 CG TYR A 34 -0.303 -5.989 -24.227 1.00 54.10 C ATOM 571 CD1 TYR A 34 0.350 -5.097 -23.386 1.00 21.13 C ATOM 572 CD2 TYR A 34 -1.692 -6.019 -24.198 1.00 54.32 C ATOM 573 CE1 TYR A 34 -0.357 -4.263 -22.541 1.00 64.03 C ATOM 574 CE2 TYR A 34 -2.407 -5.187 -23.358 1.00 74.20 C ATOM 575 CZ TYR A 34 -1.735 -4.312 -22.531 1.00 50.52 C ATOM 576 OH TYR A 34 -2.443 -3.481 -21.693 1.00 23.25 O ATOM 0 H TYR A 34 -1.193 -6.528 -27.147 1.00 15.32 H new ATOM 0 HA TYR A 34 1.420 -5.399 -26.361 1.00 32.13 H new ATOM 0 HB2 TYR A 34 -0.095 -7.818 -25.304 1.00 4.40 H new ATOM 0 HB3 TYR A 34 1.408 -7.184 -24.664 1.00 4.40 H new ATOM 0 HD1 TYR A 34 1.429 -5.055 -23.393 1.00 21.13 H new ATOM 0 HD2 TYR A 34 -2.222 -6.704 -24.843 1.00 54.32 H new ATOM 0 HE1 TYR A 34 0.167 -3.577 -21.892 1.00 64.03 H new ATOM 0 HE2 TYR A 34 -3.486 -5.222 -23.349 1.00 74.20 H new ATOM 0 HH TYR A 34 -3.403 -3.640 -21.809 1.00 23.25 H new ATOM 586 N HIS A 35 1.352 -7.168 -28.691 1.00 54.34 N ATOM 587 CA HIS A 35 2.014 -8.061 -29.635 1.00 4.11 C ATOM 588 C HIS A 35 3.517 -8.110 -29.373 1.00 73.00 C ATOM 589 O HIS A 35 4.102 -7.190 -28.802 1.00 2.22 O ATOM 590 CB HIS A 35 1.750 -7.607 -31.071 1.00 31.51 C ATOM 591 CG HIS A 35 1.979 -6.143 -31.288 1.00 75.45 C ATOM 592 ND1 HIS A 35 2.798 -5.382 -30.482 1.00 50.34 N ATOM 593 CD2 HIS A 35 1.491 -5.301 -32.229 1.00 72.43 C ATOM 594 CE1 HIS A 35 2.803 -4.134 -30.917 1.00 30.21 C ATOM 595 NE2 HIS A 35 2.018 -4.059 -31.976 1.00 51.15 N ATOM 0 H HIS A 35 0.745 -6.472 -29.124 1.00 54.34 H new ATOM 0 HA HIS A 35 1.605 -9.062 -29.498 1.00 4.11 H new ATOM 0 HB2 HIS A 35 2.394 -8.171 -31.746 1.00 31.51 H new ATOM 0 HB3 HIS A 35 0.721 -7.849 -31.336 1.00 31.51 H new ATOM 0 HD1 HIS A 35 3.319 -5.728 -29.676 1.00 50.34 H new ATOM 0 HD2 HIS A 35 0.813 -5.558 -33.030 1.00 72.43 H new ATOM 0 HE1 HIS A 35 3.355 -3.315 -30.481 1.00 30.21 H new ATOM 603 N PRO A 36 4.157 -9.209 -29.799 1.00 34.10 N ATOM 604 CA PRO A 36 5.599 -9.405 -29.621 1.00 54.52 C ATOM 605 C PRO A 36 6.423 -8.466 -30.496 1.00 71.42 C ATOM 606 O PRO A 36 7.637 -8.352 -30.328 1.00 21.10 O ATOM 607 CB PRO A 36 5.814 -10.859 -30.046 1.00 24.32 C ATOM 608 CG PRO A 36 4.692 -11.152 -30.980 1.00 52.34 C ATOM 609 CD PRO A 36 3.522 -10.346 -30.487 1.00 50.45 C ATOM 0 HA PRO A 36 5.917 -9.194 -28.600 1.00 54.52 H new ATOM 0 HB2 PRO A 36 6.780 -10.990 -30.534 1.00 24.32 H new ATOM 0 HB3 PRO A 36 5.798 -11.529 -29.186 1.00 24.32 H new ATOM 0 HG2 PRO A 36 4.953 -10.877 -32.002 1.00 52.34 H new ATOM 0 HG3 PRO A 36 4.458 -12.216 -30.987 1.00 52.34 H new ATOM 0 HD2 PRO A 36 2.887 -10.015 -31.309 1.00 50.45 H new ATOM 0 HD3 PRO A 36 2.892 -10.924 -29.811 1.00 50.45 H new ATOM 617 N ASP A 37 5.756 -7.797 -31.430 1.00 12.24 N ATOM 618 CA ASP A 37 6.427 -6.867 -32.330 1.00 51.14 C ATOM 619 C ASP A 37 7.201 -5.813 -31.545 1.00 64.10 C ATOM 620 O ASP A 37 8.217 -5.296 -32.012 1.00 54.34 O ATOM 621 CB ASP A 37 5.409 -6.190 -33.250 1.00 3.12 C ATOM 622 CG ASP A 37 6.070 -5.354 -34.329 1.00 33.24 C ATOM 623 OD1 ASP A 37 5.713 -4.164 -34.460 1.00 31.43 O ATOM 624 OD2 ASP A 37 6.944 -5.890 -35.041 1.00 41.42 O ATOM 0 H ASP A 37 4.751 -7.882 -31.583 1.00 12.24 H new ATOM 0 HA ASP A 37 7.134 -7.433 -32.937 1.00 51.14 H new ATOM 0 HB2 ASP A 37 4.783 -6.951 -33.716 1.00 3.12 H new ATOM 0 HB3 ASP A 37 4.751 -5.556 -32.655 1.00 3.12 H new ATOM 629 N THR A 38 6.715 -5.498 -30.348 1.00 42.15 N ATOM 630 CA THR A 38 7.360 -4.504 -29.499 1.00 72.40 C ATOM 631 C THR A 38 7.994 -5.156 -28.275 1.00 53.51 C ATOM 632 O THR A 38 8.405 -4.471 -27.339 1.00 72.03 O ATOM 633 CB THR A 38 6.360 -3.429 -29.034 1.00 52.12 C ATOM 634 OG1 THR A 38 5.262 -4.043 -28.350 1.00 23.40 O ATOM 635 CG2 THR A 38 5.841 -2.625 -30.217 1.00 73.30 C ATOM 0 H THR A 38 5.877 -5.917 -29.945 1.00 42.15 H new ATOM 0 HA THR A 38 8.137 -4.031 -30.099 1.00 72.40 H new ATOM 0 HB THR A 38 6.878 -2.753 -28.354 1.00 52.12 H new ATOM 0 HG1 THR A 38 4.632 -3.352 -28.057 1.00 23.40 H new ATOM 0 HG21 THR A 38 5.136 -1.872 -29.864 1.00 73.30 H new ATOM 0 HG22 THR A 38 6.676 -2.135 -30.718 1.00 73.30 H new ATOM 0 HG23 THR A 38 5.339 -3.292 -30.918 1.00 73.30 H new ATOM 643 N ASN A 39 8.070 -6.482 -28.289 1.00 61.43 N ATOM 644 CA ASN A 39 8.655 -7.226 -27.179 1.00 72.24 C ATOM 645 C ASN A 39 10.157 -7.407 -27.377 1.00 53.00 C ATOM 646 O ASN A 39 10.878 -7.766 -26.446 1.00 42.20 O ATOM 647 CB ASN A 39 7.979 -8.592 -27.041 1.00 41.05 C ATOM 648 CG ASN A 39 6.645 -8.507 -26.325 1.00 23.51 C ATOM 649 OD1 ASN A 39 6.347 -9.317 -25.447 1.00 25.24 O ATOM 650 ND2 ASN A 39 5.835 -7.524 -26.698 1.00 12.11 N ATOM 0 H ASN A 39 7.734 -7.064 -29.056 1.00 61.43 H new ATOM 0 HA ASN A 39 8.493 -6.654 -26.265 1.00 72.24 H new ATOM 0 HB2 ASN A 39 7.830 -9.022 -28.031 1.00 41.05 H new ATOM 0 HB3 ASN A 39 8.638 -9.267 -26.496 1.00 41.05 H new ATOM 0 HD21 ASN A 39 4.924 -7.417 -26.252 1.00 12.11 H new ATOM 0 HD22 ASN A 39 6.124 -6.876 -27.430 1.00 12.11 H new ATOM 657 N LYS A 40 10.622 -7.155 -28.596 1.00 20.41 N ATOM 658 CA LYS A 40 12.038 -7.288 -28.917 1.00 41.12 C ATOM 659 C LYS A 40 12.897 -6.514 -27.922 1.00 34.33 C ATOM 660 O LYS A 40 13.952 -6.987 -27.500 1.00 2.45 O ATOM 661 CB LYS A 40 12.309 -6.787 -30.338 1.00 12.03 C ATOM 662 CG LYS A 40 11.424 -7.433 -31.390 1.00 31.14 C ATOM 663 CD LYS A 40 11.587 -8.944 -31.404 1.00 42.33 C ATOM 664 CE LYS A 40 10.532 -9.627 -30.548 1.00 51.21 C ATOM 665 NZ LYS A 40 9.741 -10.619 -31.328 1.00 44.34 N ATOM 0 H LYS A 40 10.039 -6.857 -29.378 1.00 20.41 H new ATOM 0 HA LYS A 40 12.301 -8.344 -28.853 1.00 41.12 H new ATOM 0 HB2 LYS A 40 12.165 -5.707 -30.367 1.00 12.03 H new ATOM 0 HB3 LYS A 40 13.353 -6.976 -30.588 1.00 12.03 H new ATOM 0 HG2 LYS A 40 10.382 -7.180 -31.195 1.00 31.14 H new ATOM 0 HG3 LYS A 40 11.671 -7.030 -32.372 1.00 31.14 H new ATOM 0 HD2 LYS A 40 11.517 -9.309 -32.429 1.00 42.33 H new ATOM 0 HD3 LYS A 40 12.580 -9.207 -31.039 1.00 42.33 H new ATOM 0 HE2 LYS A 40 11.014 -10.127 -29.708 1.00 51.21 H new ATOM 0 HE3 LYS A 40 9.862 -8.876 -30.130 1.00 51.21 H new ATOM 0 HZ1 LYS A 40 9.033 -11.062 -30.709 1.00 44.34 H new ATOM 0 HZ2 LYS A 40 9.260 -10.138 -32.115 1.00 44.34 H new ATOM 0 HZ3 LYS A 40 10.377 -11.350 -31.706 1.00 44.34 H new ATOM 679 N ASP A 41 12.437 -5.325 -27.550 1.00 15.20 N ATOM 680 CA ASP A 41 13.161 -4.487 -26.602 1.00 4.13 C ATOM 681 C ASP A 41 12.326 -4.235 -25.350 1.00 40.44 C ATOM 682 O ASP A 41 12.672 -3.394 -24.520 1.00 51.23 O ATOM 683 CB ASP A 41 13.543 -3.156 -27.252 1.00 72.22 C ATOM 684 CG ASP A 41 14.532 -3.330 -28.388 1.00 54.42 C ATOM 685 OD1 ASP A 41 14.130 -3.149 -29.557 1.00 31.14 O ATOM 686 OD2 ASP A 41 15.707 -3.647 -28.109 1.00 41.31 O ATOM 0 H ASP A 41 11.565 -4.919 -27.891 1.00 15.20 H new ATOM 0 HA ASP A 41 14.070 -5.014 -26.311 1.00 4.13 H new ATOM 0 HB2 ASP A 41 12.644 -2.667 -27.628 1.00 72.22 H new ATOM 0 HB3 ASP A 41 13.972 -2.497 -26.498 1.00 72.22 H new ATOM 691 N ASP A 42 11.225 -4.967 -25.223 1.00 23.23 N ATOM 692 CA ASP A 42 10.340 -4.823 -24.073 1.00 21.13 C ATOM 693 C ASP A 42 10.030 -6.182 -23.452 1.00 2.31 C ATOM 694 O ASP A 42 8.993 -6.790 -23.716 1.00 21.30 O ATOM 695 CB ASP A 42 9.041 -4.129 -24.486 1.00 23.02 C ATOM 696 CG ASP A 42 8.453 -3.290 -23.369 1.00 13.23 C ATOM 697 OD1 ASP A 42 8.946 -3.393 -22.226 1.00 10.32 O ATOM 698 OD2 ASP A 42 7.500 -2.530 -23.638 1.00 15.55 O ATOM 0 H ASP A 42 10.924 -5.666 -25.902 1.00 23.23 H new ATOM 0 HA ASP A 42 10.849 -4.211 -23.328 1.00 21.13 H new ATOM 0 HB2 ASP A 42 9.231 -3.495 -25.352 1.00 23.02 H new ATOM 0 HB3 ASP A 42 8.313 -4.880 -24.794 1.00 23.02 H new ATOM 703 N PRO A 43 10.950 -6.670 -22.607 1.00 65.43 N ATOM 704 CA PRO A 43 10.798 -7.962 -21.932 1.00 21.52 C ATOM 705 C PRO A 43 9.699 -7.938 -20.875 1.00 70.22 C ATOM 706 O PRO A 43 9.341 -8.973 -20.312 1.00 64.12 O ATOM 707 CB PRO A 43 12.164 -8.184 -21.278 1.00 1.15 C ATOM 708 CG PRO A 43 12.721 -6.815 -21.091 1.00 2.10 C ATOM 709 CD PRO A 43 12.210 -5.999 -22.246 1.00 64.02 C ATOM 0 HA PRO A 43 10.509 -8.752 -22.625 1.00 21.52 H new ATOM 0 HB2 PRO A 43 12.067 -8.705 -20.326 1.00 1.15 H new ATOM 0 HB3 PRO A 43 12.811 -8.792 -21.910 1.00 1.15 H new ATOM 0 HG2 PRO A 43 12.400 -6.390 -20.140 1.00 2.10 H new ATOM 0 HG3 PRO A 43 13.811 -6.835 -21.079 1.00 2.10 H new ATOM 0 HD2 PRO A 43 12.045 -4.960 -21.962 1.00 64.02 H new ATOM 0 HD3 PRO A 43 12.915 -5.994 -23.077 1.00 64.02 H new ATOM 717 N LYS A 44 9.166 -6.750 -20.610 1.00 75.53 N ATOM 718 CA LYS A 44 8.105 -6.591 -19.622 1.00 42.43 C ATOM 719 C LYS A 44 6.732 -6.670 -20.281 1.00 14.23 C ATOM 720 O LYS A 44 5.728 -6.922 -19.615 1.00 54.23 O ATOM 721 CB LYS A 44 8.257 -5.254 -18.893 1.00 53.31 C ATOM 722 CG LYS A 44 8.898 -5.378 -17.522 1.00 45.01 C ATOM 723 CD LYS A 44 8.770 -4.089 -16.728 1.00 23.25 C ATOM 724 CE LYS A 44 7.648 -4.174 -15.705 1.00 34.21 C ATOM 725 NZ LYS A 44 7.902 -5.233 -14.689 1.00 74.11 N ATOM 0 H LYS A 44 9.451 -5.883 -21.066 1.00 75.53 H new ATOM 0 HA LYS A 44 8.189 -7.403 -18.900 1.00 42.43 H new ATOM 0 HB2 LYS A 44 8.857 -4.582 -19.506 1.00 53.31 H new ATOM 0 HB3 LYS A 44 7.274 -4.795 -18.785 1.00 53.31 H new ATOM 0 HG2 LYS A 44 8.428 -6.193 -16.972 1.00 45.01 H new ATOM 0 HG3 LYS A 44 9.951 -5.634 -17.634 1.00 45.01 H new ATOM 0 HD2 LYS A 44 9.711 -3.878 -16.221 1.00 23.25 H new ATOM 0 HD3 LYS A 44 8.581 -3.259 -17.408 1.00 23.25 H new ATOM 0 HE2 LYS A 44 7.538 -3.211 -15.206 1.00 34.21 H new ATOM 0 HE3 LYS A 44 6.707 -4.378 -16.215 1.00 34.21 H new ATOM 0 HZ1 LYS A 44 7.432 -4.978 -13.797 1.00 74.11 H new ATOM 0 HZ2 LYS A 44 7.526 -6.140 -15.032 1.00 74.11 H new ATOM 0 HZ3 LYS A 44 8.926 -5.321 -14.528 1.00 74.11 H new ATOM 739 N ALA A 45 6.695 -6.454 -21.592 1.00 24.33 N ATOM 740 CA ALA A 45 5.446 -6.505 -22.340 1.00 14.00 C ATOM 741 C ALA A 45 4.909 -7.930 -22.417 1.00 65.44 C ATOM 742 O ALA A 45 3.702 -8.156 -22.338 1.00 13.13 O ATOM 743 CB ALA A 45 5.644 -5.937 -23.738 1.00 11.05 C ATOM 0 H ALA A 45 7.517 -6.242 -22.158 1.00 24.33 H new ATOM 0 HA ALA A 45 4.711 -5.896 -21.813 1.00 14.00 H new ATOM 0 HB1 ALA A 45 4.703 -5.981 -24.286 1.00 11.05 H new ATOM 0 HB2 ALA A 45 5.973 -4.900 -23.666 1.00 11.05 H new ATOM 0 HB3 ALA A 45 6.398 -6.522 -24.265 1.00 11.05 H new ATOM 749 N LYS A 46 5.815 -8.890 -22.574 1.00 33.31 N ATOM 750 CA LYS A 46 5.434 -10.295 -22.662 1.00 33.03 C ATOM 751 C LYS A 46 4.641 -10.722 -21.430 1.00 44.12 C ATOM 752 O LYS A 46 3.761 -11.578 -21.514 1.00 1.51 O ATOM 753 CB LYS A 46 6.678 -11.174 -22.811 1.00 13.23 C ATOM 754 CG LYS A 46 7.467 -11.334 -21.523 1.00 0.01 C ATOM 755 CD LYS A 46 8.765 -12.089 -21.755 1.00 31.43 C ATOM 756 CE LYS A 46 9.795 -11.223 -22.464 1.00 32.51 C ATOM 757 NZ LYS A 46 10.722 -12.036 -23.299 1.00 72.04 N ATOM 0 H LYS A 46 6.818 -8.720 -22.643 1.00 33.31 H new ATOM 0 HA LYS A 46 4.801 -10.420 -23.541 1.00 33.03 H new ATOM 0 HB2 LYS A 46 6.376 -12.159 -23.167 1.00 13.23 H new ATOM 0 HB3 LYS A 46 7.327 -10.744 -23.574 1.00 13.23 H new ATOM 0 HG2 LYS A 46 7.686 -10.351 -21.105 1.00 0.01 H new ATOM 0 HG3 LYS A 46 6.862 -11.865 -20.788 1.00 0.01 H new ATOM 0 HD2 LYS A 46 9.167 -12.426 -20.799 1.00 31.43 H new ATOM 0 HD3 LYS A 46 8.567 -12.981 -22.349 1.00 31.43 H new ATOM 0 HE2 LYS A 46 9.285 -10.493 -23.093 1.00 32.51 H new ATOM 0 HE3 LYS A 46 10.368 -10.662 -21.726 1.00 32.51 H new ATOM 0 HZ1 LYS A 46 11.409 -11.410 -23.766 1.00 72.04 H new ATOM 0 HZ2 LYS A 46 11.228 -12.715 -22.695 1.00 72.04 H new ATOM 0 HZ3 LYS A 46 10.178 -12.552 -24.020 1.00 72.04 H new ATOM 771 N GLU A 47 4.960 -10.119 -20.289 1.00 15.11 N ATOM 772 CA GLU A 47 4.276 -10.437 -19.041 1.00 32.40 C ATOM 773 C GLU A 47 2.841 -9.918 -19.059 1.00 30.21 C ATOM 774 O GLU A 47 1.924 -10.575 -18.565 1.00 24.14 O ATOM 775 CB GLU A 47 5.031 -9.839 -17.853 1.00 25.25 C ATOM 776 CG GLU A 47 4.412 -10.174 -16.506 1.00 54.03 C ATOM 777 CD GLU A 47 4.810 -11.549 -16.007 1.00 33.15 C ATOM 778 OE1 GLU A 47 5.534 -11.624 -14.991 1.00 75.14 O ATOM 779 OE2 GLU A 47 4.398 -12.550 -16.630 1.00 2.31 O ATOM 0 H GLU A 47 5.687 -9.409 -20.203 1.00 15.11 H new ATOM 0 HA GLU A 47 4.250 -11.522 -18.937 1.00 32.40 H new ATOM 0 HB2 GLU A 47 6.060 -10.198 -17.870 1.00 25.25 H new ATOM 0 HB3 GLU A 47 5.069 -8.756 -17.966 1.00 25.25 H new ATOM 0 HG2 GLU A 47 4.715 -9.425 -15.775 1.00 54.03 H new ATOM 0 HG3 GLU A 47 3.326 -10.121 -16.586 1.00 54.03 H new ATOM 786 N LYS A 48 2.654 -8.734 -19.632 1.00 33.04 N ATOM 787 CA LYS A 48 1.332 -8.125 -19.716 1.00 13.22 C ATOM 788 C LYS A 48 0.453 -8.868 -20.717 1.00 40.42 C ATOM 789 O LYS A 48 -0.746 -9.042 -20.497 1.00 3.30 O ATOM 790 CB LYS A 48 1.450 -6.653 -20.119 1.00 24.24 C ATOM 791 CG LYS A 48 2.549 -5.907 -19.381 1.00 31.41 C ATOM 792 CD LYS A 48 2.367 -5.993 -17.875 1.00 13.12 C ATOM 793 CE LYS A 48 3.503 -5.304 -17.136 1.00 4.42 C ATOM 794 NZ LYS A 48 3.587 -5.741 -15.715 1.00 12.33 N ATOM 0 H LYS A 48 3.402 -8.177 -20.045 1.00 33.04 H new ATOM 0 HA LYS A 48 0.867 -8.190 -18.732 1.00 13.22 H new ATOM 0 HB2 LYS A 48 1.638 -6.592 -21.191 1.00 24.24 H new ATOM 0 HB3 LYS A 48 0.497 -6.157 -19.934 1.00 24.24 H new ATOM 0 HG2 LYS A 48 3.519 -6.322 -19.655 1.00 31.41 H new ATOM 0 HG3 LYS A 48 2.551 -4.861 -19.689 1.00 31.41 H new ATOM 0 HD2 LYS A 48 1.419 -5.534 -17.595 1.00 13.12 H new ATOM 0 HD3 LYS A 48 2.317 -7.039 -17.573 1.00 13.12 H new ATOM 0 HE2 LYS A 48 4.446 -5.519 -17.638 1.00 4.42 H new ATOM 0 HE3 LYS A 48 3.360 -4.224 -17.176 1.00 4.42 H new ATOM 0 HZ1 LYS A 48 4.374 -5.248 -15.246 1.00 12.33 H new ATOM 0 HZ2 LYS A 48 2.697 -5.513 -15.228 1.00 12.33 H new ATOM 0 HZ3 LYS A 48 3.749 -6.768 -15.677 1.00 12.33 H new ATOM 808 N PHE A 49 1.057 -9.305 -21.817 1.00 40.33 N ATOM 809 CA PHE A 49 0.329 -10.030 -22.852 1.00 42.54 C ATOM 810 C PHE A 49 -0.180 -11.368 -22.324 1.00 5.50 C ATOM 811 O PHE A 49 -1.303 -11.776 -22.617 1.00 61.44 O ATOM 812 CB PHE A 49 1.226 -10.257 -24.071 1.00 74.34 C ATOM 813 CG PHE A 49 0.616 -11.163 -25.103 1.00 20.22 C ATOM 814 CD1 PHE A 49 -0.123 -10.641 -26.152 1.00 60.33 C ATOM 815 CD2 PHE A 49 0.782 -12.536 -25.023 1.00 64.32 C ATOM 816 CE1 PHE A 49 -0.686 -11.473 -27.102 1.00 44.22 C ATOM 817 CE2 PHE A 49 0.222 -13.373 -25.971 1.00 5.25 C ATOM 818 CZ PHE A 49 -0.512 -12.840 -27.012 1.00 24.01 C ATOM 0 H PHE A 49 2.048 -9.170 -22.015 1.00 40.33 H new ATOM 0 HA PHE A 49 -0.529 -9.427 -23.148 1.00 42.54 H new ATOM 0 HB2 PHE A 49 1.451 -9.295 -24.531 1.00 74.34 H new ATOM 0 HB3 PHE A 49 2.174 -10.682 -23.741 1.00 74.34 H new ATOM 0 HD1 PHE A 49 -0.261 -9.573 -26.229 1.00 60.33 H new ATOM 0 HD2 PHE A 49 1.355 -12.958 -24.211 1.00 64.32 H new ATOM 0 HE1 PHE A 49 -1.262 -11.054 -27.914 1.00 44.22 H new ATOM 0 HE2 PHE A 49 0.359 -14.442 -25.897 1.00 5.25 H new ATOM 0 HZ PHE A 49 -0.949 -13.491 -27.755 1.00 24.01 H new ATOM 828 N SER A 50 0.656 -12.045 -21.543 1.00 62.04 N ATOM 829 CA SER A 50 0.294 -13.339 -20.977 1.00 71.00 C ATOM 830 C SER A 50 -0.941 -13.217 -20.090 1.00 32.13 C ATOM 831 O SER A 50 -1.754 -14.138 -20.010 1.00 4.04 O ATOM 832 CB SER A 50 1.461 -13.911 -20.170 1.00 60.11 C ATOM 833 OG SER A 50 1.047 -15.019 -19.389 1.00 52.33 O ATOM 0 H SER A 50 1.588 -11.719 -21.288 1.00 62.04 H new ATOM 0 HA SER A 50 0.064 -14.016 -21.799 1.00 71.00 H new ATOM 0 HB2 SER A 50 2.259 -14.217 -20.846 1.00 60.11 H new ATOM 0 HB3 SER A 50 1.872 -13.138 -19.521 1.00 60.11 H new ATOM 0 HG SER A 50 1.811 -15.367 -18.884 1.00 52.33 H new ATOM 839 N GLN A 51 -1.074 -12.074 -19.425 1.00 52.55 N ATOM 840 CA GLN A 51 -2.209 -11.831 -18.543 1.00 55.21 C ATOM 841 C GLN A 51 -3.523 -11.892 -19.316 1.00 63.22 C ATOM 842 O GLN A 51 -4.571 -12.214 -18.755 1.00 71.14 O ATOM 843 CB GLN A 51 -2.069 -10.469 -17.860 1.00 34.52 C ATOM 844 CG GLN A 51 -0.942 -10.413 -16.842 1.00 3.20 C ATOM 845 CD GLN A 51 -0.698 -9.011 -16.318 1.00 72.22 C ATOM 846 OE1 GLN A 51 -1.639 -8.254 -16.077 1.00 22.14 O ATOM 847 NE2 GLN A 51 0.569 -8.658 -16.139 1.00 42.42 N ATOM 0 H GLN A 51 -0.410 -11.302 -19.480 1.00 52.55 H new ATOM 0 HA GLN A 51 -2.219 -12.612 -17.783 1.00 55.21 H new ATOM 0 HB2 GLN A 51 -1.899 -9.706 -18.620 1.00 34.52 H new ATOM 0 HB3 GLN A 51 -3.008 -10.222 -17.364 1.00 34.52 H new ATOM 0 HG2 GLN A 51 -1.178 -11.073 -16.007 1.00 3.20 H new ATOM 0 HG3 GLN A 51 -0.027 -10.791 -17.298 1.00 3.20 H new ATOM 0 HE21 GLN A 51 1.317 -9.318 -16.352 1.00 42.42 H new ATOM 0 HE22 GLN A 51 0.794 -7.727 -15.789 1.00 42.42 H new ATOM 856 N LEU A 52 -3.459 -11.581 -20.606 1.00 60.42 N ATOM 857 CA LEU A 52 -4.644 -11.601 -21.457 1.00 44.13 C ATOM 858 C LEU A 52 -5.168 -13.023 -21.628 1.00 14.13 C ATOM 859 O LEU A 52 -6.362 -13.278 -21.469 1.00 3.10 O ATOM 860 CB LEU A 52 -4.323 -10.996 -22.825 1.00 50.02 C ATOM 861 CG LEU A 52 -3.621 -9.638 -22.811 1.00 10.44 C ATOM 862 CD1 LEU A 52 -2.966 -9.361 -24.155 1.00 54.40 C ATOM 863 CD2 LEU A 52 -4.605 -8.532 -22.457 1.00 33.42 C ATOM 0 H LEU A 52 -2.600 -11.312 -21.085 1.00 60.42 H new ATOM 0 HA LEU A 52 -5.418 -11.004 -20.974 1.00 44.13 H new ATOM 0 HB2 LEU A 52 -3.697 -11.700 -23.373 1.00 50.02 H new ATOM 0 HB3 LEU A 52 -5.254 -10.895 -23.383 1.00 50.02 H new ATOM 0 HG LEU A 52 -2.842 -9.662 -22.049 1.00 10.44 H new ATOM 0 HD11 LEU A 52 -2.472 -8.390 -24.126 1.00 54.40 H new ATOM 0 HD12 LEU A 52 -2.230 -10.137 -24.368 1.00 54.40 H new ATOM 0 HD13 LEU A 52 -3.726 -9.358 -24.936 1.00 54.40 H new ATOM 0 HD21 LEU A 52 -4.088 -7.573 -22.452 1.00 33.42 H new ATOM 0 HD22 LEU A 52 -5.407 -8.508 -23.195 1.00 33.42 H new ATOM 0 HD23 LEU A 52 -5.027 -8.722 -21.470 1.00 33.42 H new ATOM 875 N ALA A 53 -4.268 -13.946 -21.950 1.00 1.31 N ATOM 876 CA ALA A 53 -4.639 -15.343 -22.137 1.00 53.35 C ATOM 877 C ALA A 53 -5.029 -15.990 -20.813 1.00 3.23 C ATOM 878 O ALA A 53 -5.875 -16.882 -20.773 1.00 63.52 O ATOM 879 CB ALA A 53 -3.497 -16.110 -22.786 1.00 43.02 C ATOM 0 H ALA A 53 -3.276 -13.751 -22.087 1.00 1.31 H new ATOM 0 HA ALA A 53 -5.506 -15.377 -22.797 1.00 53.35 H new ATOM 0 HB1 ALA A 53 -3.788 -17.152 -22.920 1.00 43.02 H new ATOM 0 HB2 ALA A 53 -3.268 -15.670 -23.757 1.00 43.02 H new ATOM 0 HB3 ALA A 53 -2.615 -16.059 -22.148 1.00 43.02 H new ATOM 885 N GLU A 54 -4.405 -15.534 -19.731 1.00 11.03 N ATOM 886 CA GLU A 54 -4.687 -16.071 -18.405 1.00 4.14 C ATOM 887 C GLU A 54 -6.103 -15.715 -17.963 1.00 11.42 C ATOM 888 O GLU A 54 -6.866 -16.579 -17.533 1.00 14.11 O ATOM 889 CB GLU A 54 -3.674 -15.538 -17.389 1.00 14.54 C ATOM 890 CG GLU A 54 -2.394 -16.352 -17.320 1.00 22.40 C ATOM 891 CD GLU A 54 -2.575 -17.662 -16.578 1.00 21.24 C ATOM 892 OE1 GLU A 54 -2.848 -17.620 -15.360 1.00 21.24 O ATOM 893 OE2 GLU A 54 -2.444 -18.729 -17.214 1.00 4.51 O ATOM 0 H GLU A 54 -3.702 -14.795 -19.747 1.00 11.03 H new ATOM 0 HA GLU A 54 -4.604 -17.157 -18.456 1.00 4.14 H new ATOM 0 HB2 GLU A 54 -3.426 -14.507 -17.643 1.00 14.54 H new ATOM 0 HB3 GLU A 54 -4.137 -15.521 -16.402 1.00 14.54 H new ATOM 0 HG2 GLU A 54 -2.043 -16.557 -18.331 1.00 22.40 H new ATOM 0 HG3 GLU A 54 -1.620 -15.764 -16.827 1.00 22.40 H new ATOM 900 N ALA A 55 -6.446 -14.435 -18.072 1.00 34.44 N ATOM 901 CA ALA A 55 -7.771 -13.964 -17.685 1.00 65.22 C ATOM 902 C ALA A 55 -8.831 -14.432 -18.677 1.00 4.33 C ATOM 903 O ALA A 55 -9.948 -14.776 -18.290 1.00 3.32 O ATOM 904 CB ALA A 55 -7.780 -12.447 -17.576 1.00 43.42 C ATOM 0 H ALA A 55 -5.825 -13.706 -18.425 1.00 34.44 H new ATOM 0 HA ALA A 55 -8.011 -14.389 -16.710 1.00 65.22 H new ATOM 0 HB1 ALA A 55 -8.775 -12.109 -17.287 1.00 43.42 H new ATOM 0 HB2 ALA A 55 -7.057 -12.132 -16.824 1.00 43.42 H new ATOM 0 HB3 ALA A 55 -7.515 -12.011 -18.539 1.00 43.42 H new ATOM 910 N TYR A 56 -8.474 -14.441 -19.956 1.00 62.02 N ATOM 911 CA TYR A 56 -9.396 -14.863 -21.004 1.00 21.33 C ATOM 912 C TYR A 56 -9.753 -16.339 -20.853 1.00 13.25 C ATOM 913 O TYR A 56 -10.826 -16.774 -21.269 1.00 15.15 O ATOM 914 CB TYR A 56 -8.783 -14.614 -22.383 1.00 22.32 C ATOM 915 CG TYR A 56 -9.484 -15.354 -23.500 1.00 23.34 C ATOM 916 CD1 TYR A 56 -10.625 -14.833 -24.097 1.00 4.43 C ATOM 917 CD2 TYR A 56 -9.004 -16.575 -23.958 1.00 72.14 C ATOM 918 CE1 TYR A 56 -11.268 -15.506 -25.117 1.00 14.23 C ATOM 919 CE2 TYR A 56 -9.641 -17.255 -24.979 1.00 43.40 C ATOM 920 CZ TYR A 56 -10.773 -16.716 -25.555 1.00 23.14 C ATOM 921 OH TYR A 56 -11.410 -17.389 -26.571 1.00 74.14 O ATOM 0 H TYR A 56 -7.553 -14.161 -20.292 1.00 62.02 H new ATOM 0 HA TYR A 56 -10.309 -14.275 -20.908 1.00 21.33 H new ATOM 0 HB2 TYR A 56 -8.808 -13.545 -22.595 1.00 22.32 H new ATOM 0 HB3 TYR A 56 -7.734 -14.911 -22.364 1.00 22.32 H new ATOM 0 HD1 TYR A 56 -11.016 -13.885 -23.758 1.00 4.43 H new ATOM 0 HD2 TYR A 56 -8.118 -17.000 -23.509 1.00 72.14 H new ATOM 0 HE1 TYR A 56 -12.154 -15.087 -25.570 1.00 14.23 H new ATOM 0 HE2 TYR A 56 -9.255 -18.203 -25.324 1.00 43.40 H new ATOM 0 HH TYR A 56 -10.933 -18.224 -26.760 1.00 74.14 H new ATOM 931 N GLU A 57 -8.845 -17.103 -20.253 1.00 51.43 N ATOM 932 CA GLU A 57 -9.064 -18.529 -20.047 1.00 31.41 C ATOM 933 C GLU A 57 -10.282 -18.770 -19.160 1.00 74.22 C ATOM 934 O GLU A 57 -11.107 -19.640 -19.441 1.00 63.34 O ATOM 935 CB GLU A 57 -7.826 -19.172 -19.417 1.00 74.13 C ATOM 936 CG GLU A 57 -6.836 -19.712 -20.436 1.00 13.04 C ATOM 937 CD GLU A 57 -7.214 -21.091 -20.942 1.00 44.41 C ATOM 938 OE1 GLU A 57 -6.319 -21.803 -21.445 1.00 10.43 O ATOM 939 OE2 GLU A 57 -8.402 -21.457 -20.836 1.00 75.32 O ATOM 0 H GLU A 57 -7.952 -16.758 -19.902 1.00 51.43 H new ATOM 0 HA GLU A 57 -9.248 -18.986 -21.019 1.00 31.41 H new ATOM 0 HB2 GLU A 57 -7.324 -18.436 -18.790 1.00 74.13 H new ATOM 0 HB3 GLU A 57 -8.142 -19.985 -18.763 1.00 74.13 H new ATOM 0 HG2 GLU A 57 -6.776 -19.024 -21.279 1.00 13.04 H new ATOM 0 HG3 GLU A 57 -5.844 -19.753 -19.987 1.00 13.04 H new ATOM 946 N VAL A 58 -10.389 -17.993 -18.087 1.00 21.10 N ATOM 947 CA VAL A 58 -11.506 -18.120 -17.159 1.00 22.54 C ATOM 948 C VAL A 58 -12.783 -17.535 -17.751 1.00 64.13 C ATOM 949 O VAL A 58 -13.857 -18.129 -17.648 1.00 50.35 O ATOM 950 CB VAL A 58 -11.206 -17.420 -15.820 1.00 41.32 C ATOM 951 CG1 VAL A 58 -12.318 -17.685 -14.817 1.00 72.32 C ATOM 952 CG2 VAL A 58 -9.862 -17.874 -15.271 1.00 1.30 C ATOM 0 H VAL A 58 -9.715 -17.269 -17.839 1.00 21.10 H new ATOM 0 HA VAL A 58 -11.648 -19.186 -16.980 1.00 22.54 H new ATOM 0 HB VAL A 58 -11.157 -16.345 -15.995 1.00 41.32 H new ATOM 0 HG11 VAL A 58 -12.088 -17.182 -13.878 1.00 72.32 H new ATOM 0 HG12 VAL A 58 -13.261 -17.305 -15.210 1.00 72.32 H new ATOM 0 HG13 VAL A 58 -12.403 -18.758 -14.643 1.00 72.32 H new ATOM 0 HG21 VAL A 58 -9.666 -17.369 -14.325 1.00 1.30 H new ATOM 0 HG22 VAL A 58 -9.880 -18.952 -15.111 1.00 1.30 H new ATOM 0 HG23 VAL A 58 -9.075 -17.626 -15.984 1.00 1.30 H new ATOM 962 N LEU A 59 -12.659 -16.367 -18.372 1.00 64.44 N ATOM 963 CA LEU A 59 -13.803 -15.700 -18.983 1.00 71.44 C ATOM 964 C LEU A 59 -14.230 -16.414 -20.262 1.00 54.20 C ATOM 965 O LEU A 59 -15.270 -16.100 -20.842 1.00 31.52 O ATOM 966 CB LEU A 59 -13.464 -14.240 -19.289 1.00 70.53 C ATOM 967 CG LEU A 59 -13.985 -13.207 -18.290 1.00 52.23 C ATOM 968 CD1 LEU A 59 -13.581 -13.583 -16.873 1.00 75.22 C ATOM 969 CD2 LEU A 59 -13.471 -11.818 -18.642 1.00 70.53 C ATOM 0 H LEU A 59 -11.778 -15.862 -18.466 1.00 64.44 H new ATOM 0 HA LEU A 59 -14.632 -15.733 -18.276 1.00 71.44 H new ATOM 0 HB2 LEU A 59 -12.380 -14.144 -19.348 1.00 70.53 H new ATOM 0 HB3 LEU A 59 -13.860 -13.995 -20.275 1.00 70.53 H new ATOM 0 HG LEU A 59 -15.074 -13.195 -18.344 1.00 52.23 H new ATOM 0 HD11 LEU A 59 -13.961 -12.836 -16.176 1.00 75.22 H new ATOM 0 HD12 LEU A 59 -13.998 -14.558 -16.622 1.00 75.22 H new ATOM 0 HD13 LEU A 59 -12.494 -13.625 -16.803 1.00 75.22 H new ATOM 0 HD21 LEU A 59 -13.852 -11.095 -17.920 1.00 70.53 H new ATOM 0 HD22 LEU A 59 -12.381 -11.816 -18.617 1.00 70.53 H new ATOM 0 HD23 LEU A 59 -13.811 -11.547 -19.641 1.00 70.53 H new ATOM 981 N SER A 60 -13.422 -17.376 -20.695 1.00 71.11 N ATOM 982 CA SER A 60 -13.716 -18.134 -21.906 1.00 44.51 C ATOM 983 C SER A 60 -14.856 -19.118 -21.668 1.00 33.31 C ATOM 984 O SER A 60 -15.430 -19.661 -22.612 1.00 51.24 O ATOM 985 CB SER A 60 -12.469 -18.884 -22.378 1.00 61.21 C ATOM 986 OG SER A 60 -12.800 -19.865 -23.346 1.00 51.21 O ATOM 0 H SER A 60 -12.559 -17.649 -20.226 1.00 71.11 H new ATOM 0 HA SER A 60 -14.023 -17.431 -22.680 1.00 44.51 H new ATOM 0 HB2 SER A 60 -11.754 -18.178 -22.801 1.00 61.21 H new ATOM 0 HB3 SER A 60 -11.982 -19.359 -21.526 1.00 61.21 H new ATOM 0 HG SER A 60 -13.773 -19.973 -23.383 1.00 51.21 H new ATOM 992 N ASP A 61 -15.179 -19.344 -20.399 1.00 52.22 N ATOM 993 CA ASP A 61 -16.252 -20.262 -20.035 1.00 21.21 C ATOM 994 C ASP A 61 -17.095 -19.690 -18.899 1.00 61.15 C ATOM 995 O ASP A 61 -16.562 -19.211 -17.899 1.00 42.45 O ATOM 996 CB ASP A 61 -15.674 -21.618 -19.625 1.00 13.20 C ATOM 997 CG ASP A 61 -16.556 -22.775 -20.051 1.00 64.41 C ATOM 998 OD1 ASP A 61 -16.007 -23.834 -20.422 1.00 23.42 O ATOM 999 OD2 ASP A 61 -17.794 -22.623 -20.013 1.00 53.22 O ATOM 0 H ASP A 61 -14.713 -18.904 -19.605 1.00 52.22 H new ATOM 0 HA ASP A 61 -16.893 -20.397 -20.906 1.00 21.21 H new ATOM 0 HB2 ASP A 61 -14.685 -21.737 -20.067 1.00 13.20 H new ATOM 0 HB3 ASP A 61 -15.545 -21.643 -18.543 1.00 13.20 H new ATOM 1004 N GLU A 62 -18.413 -19.744 -19.063 1.00 11.33 N ATOM 1005 CA GLU A 62 -19.329 -19.229 -18.052 1.00 1.34 C ATOM 1006 C GLU A 62 -19.065 -19.879 -16.697 1.00 32.43 C ATOM 1007 O GLU A 62 -19.080 -19.213 -15.662 1.00 4.31 O ATOM 1008 CB GLU A 62 -20.779 -19.473 -18.473 1.00 73.24 C ATOM 1009 CG GLU A 62 -21.094 -18.989 -19.879 1.00 32.51 C ATOM 1010 CD GLU A 62 -22.584 -18.928 -20.155 1.00 31.04 C ATOM 1011 OE1 GLU A 62 -23.205 -17.893 -19.834 1.00 71.33 O ATOM 1012 OE2 GLU A 62 -23.129 -19.916 -20.691 1.00 44.43 O ATOM 0 H GLU A 62 -18.870 -20.139 -19.885 1.00 11.33 H new ATOM 0 HA GLU A 62 -19.161 -18.156 -17.960 1.00 1.34 H new ATOM 0 HB2 GLU A 62 -20.993 -20.540 -18.409 1.00 73.24 H new ATOM 0 HB3 GLU A 62 -21.442 -18.972 -17.768 1.00 73.24 H new ATOM 0 HG2 GLU A 62 -20.661 -17.999 -20.024 1.00 32.51 H new ATOM 0 HG3 GLU A 62 -20.621 -19.653 -20.602 1.00 32.51 H new ATOM 1019 N VAL A 63 -18.825 -21.187 -16.711 1.00 42.34 N ATOM 1020 CA VAL A 63 -18.557 -21.929 -15.485 1.00 52.41 C ATOM 1021 C VAL A 63 -17.343 -21.365 -14.755 1.00 52.25 C ATOM 1022 O VAL A 63 -17.417 -21.026 -13.574 1.00 25.51 O ATOM 1023 CB VAL A 63 -18.321 -23.423 -15.774 1.00 22.05 C ATOM 1024 CG1 VAL A 63 -18.228 -24.210 -14.475 1.00 12.51 C ATOM 1025 CG2 VAL A 63 -19.425 -23.975 -16.663 1.00 2.31 C ATOM 0 H VAL A 63 -18.811 -21.754 -17.559 1.00 42.34 H new ATOM 0 HA VAL A 63 -19.438 -21.824 -14.852 1.00 52.41 H new ATOM 0 HB VAL A 63 -17.374 -23.527 -16.303 1.00 22.05 H new ATOM 0 HG11 VAL A 63 -18.061 -25.264 -14.699 1.00 12.51 H new ATOM 0 HG12 VAL A 63 -17.399 -23.830 -13.878 1.00 12.51 H new ATOM 0 HG13 VAL A 63 -19.157 -24.101 -13.916 1.00 12.51 H new ATOM 0 HG21 VAL A 63 -19.242 -25.032 -16.857 1.00 2.31 H new ATOM 0 HG22 VAL A 63 -20.387 -23.859 -16.163 1.00 2.31 H new ATOM 0 HG23 VAL A 63 -19.439 -23.430 -17.607 1.00 2.31 H new ATOM 1035 N LYS A 64 -16.226 -21.266 -15.467 1.00 44.42 N ATOM 1036 CA LYS A 64 -14.994 -20.741 -14.889 1.00 40.14 C ATOM 1037 C LYS A 64 -15.173 -19.291 -14.451 1.00 13.11 C ATOM 1038 O LYS A 64 -14.772 -18.911 -13.351 1.00 23.21 O ATOM 1039 CB LYS A 64 -13.849 -20.841 -15.900 1.00 30.32 C ATOM 1040 CG LYS A 64 -13.330 -22.256 -16.092 1.00 42.30 C ATOM 1041 CD LYS A 64 -11.855 -22.263 -16.458 1.00 30.43 C ATOM 1042 CE LYS A 64 -10.987 -21.839 -15.283 1.00 32.01 C ATOM 1043 NZ LYS A 64 -9.549 -22.148 -15.516 1.00 11.34 N ATOM 0 H LYS A 64 -16.148 -21.542 -16.446 1.00 44.42 H new ATOM 0 HA LYS A 64 -14.750 -21.340 -14.012 1.00 40.14 H new ATOM 0 HB2 LYS A 64 -14.189 -20.454 -16.861 1.00 30.32 H new ATOM 0 HB3 LYS A 64 -13.028 -20.203 -15.571 1.00 30.32 H new ATOM 0 HG2 LYS A 64 -13.482 -22.828 -15.176 1.00 42.30 H new ATOM 0 HG3 LYS A 64 -13.903 -22.752 -16.876 1.00 42.30 H new ATOM 0 HD2 LYS A 64 -11.565 -23.262 -16.784 1.00 30.43 H new ATOM 0 HD3 LYS A 64 -11.685 -21.591 -17.299 1.00 30.43 H new ATOM 0 HE2 LYS A 64 -11.105 -20.769 -15.111 1.00 32.01 H new ATOM 0 HE3 LYS A 64 -11.326 -22.346 -14.380 1.00 32.01 H new ATOM 0 HZ1 LYS A 64 -8.991 -21.844 -14.693 1.00 11.34 H new ATOM 0 HZ2 LYS A 64 -9.432 -23.172 -15.655 1.00 11.34 H new ATOM 0 HZ3 LYS A 64 -9.219 -21.644 -16.364 1.00 11.34 H new ATOM 1057 N ARG A 65 -15.780 -18.486 -15.317 1.00 62.14 N ATOM 1058 CA ARG A 65 -16.012 -17.078 -15.019 1.00 33.23 C ATOM 1059 C ARG A 65 -16.859 -16.922 -13.759 1.00 73.31 C ATOM 1060 O ARG A 65 -16.551 -16.109 -12.887 1.00 75.42 O ATOM 1061 CB ARG A 65 -16.703 -16.392 -16.199 1.00 2.13 C ATOM 1062 CG ARG A 65 -17.071 -14.942 -15.930 1.00 32.15 C ATOM 1063 CD ARG A 65 -17.945 -14.374 -17.037 1.00 32.51 C ATOM 1064 NE ARG A 65 -19.009 -13.522 -16.512 1.00 63.13 N ATOM 1065 CZ ARG A 65 -20.115 -13.228 -17.187 1.00 22.15 C ATOM 1066 NH1 ARG A 65 -20.302 -13.716 -18.405 1.00 43.42 N ATOM 1067 NH2 ARG A 65 -21.037 -12.445 -16.641 1.00 72.24 N ATOM 0 H ARG A 65 -16.120 -18.785 -16.231 1.00 62.14 H new ATOM 0 HA ARG A 65 -15.045 -16.604 -14.848 1.00 33.23 H new ATOM 0 HB2 ARG A 65 -16.048 -16.436 -17.069 1.00 2.13 H new ATOM 0 HB3 ARG A 65 -17.607 -16.946 -16.452 1.00 2.13 H new ATOM 0 HG2 ARG A 65 -17.596 -14.869 -14.977 1.00 32.15 H new ATOM 0 HG3 ARG A 65 -16.163 -14.346 -15.840 1.00 32.15 H new ATOM 0 HD2 ARG A 65 -17.328 -13.799 -17.727 1.00 32.51 H new ATOM 0 HD3 ARG A 65 -18.384 -15.192 -17.608 1.00 32.51 H new ATOM 0 HE ARG A 65 -18.897 -13.132 -15.576 1.00 63.13 H new ATOM 0 HH11 ARG A 65 -19.596 -14.319 -18.827 1.00 43.42 H new ATOM 0 HH12 ARG A 65 -21.152 -13.488 -18.921 1.00 43.42 H new ATOM 0 HH21 ARG A 65 -20.896 -12.069 -15.703 1.00 72.24 H new ATOM 0 HH22 ARG A 65 -21.886 -12.219 -17.159 1.00 72.24 H new ATOM 1081 N LYS A 66 -17.928 -17.706 -13.671 1.00 33.45 N ATOM 1082 CA LYS A 66 -18.820 -17.657 -12.518 1.00 75.33 C ATOM 1083 C LYS A 66 -18.117 -18.163 -11.263 1.00 64.32 C ATOM 1084 O LYS A 66 -18.246 -17.576 -10.190 1.00 21.05 O ATOM 1085 CB LYS A 66 -20.076 -18.492 -12.783 1.00 43.43 C ATOM 1086 CG LYS A 66 -21.035 -17.850 -13.771 1.00 31.11 C ATOM 1087 CD LYS A 66 -21.547 -16.513 -13.263 1.00 5.51 C ATOM 1088 CE LYS A 66 -22.631 -15.950 -14.169 1.00 42.10 C ATOM 1089 NZ LYS A 66 -23.562 -15.054 -13.429 1.00 52.12 N ATOM 0 H LYS A 66 -18.198 -18.383 -14.384 1.00 33.45 H new ATOM 0 HA LYS A 66 -19.108 -16.618 -12.358 1.00 75.33 H new ATOM 0 HB2 LYS A 66 -19.779 -19.470 -13.161 1.00 43.43 H new ATOM 0 HB3 LYS A 66 -20.597 -18.659 -11.840 1.00 43.43 H new ATOM 0 HG2 LYS A 66 -20.532 -17.708 -14.728 1.00 31.11 H new ATOM 0 HG3 LYS A 66 -21.877 -18.519 -13.949 1.00 31.11 H new ATOM 0 HD2 LYS A 66 -21.941 -16.633 -12.254 1.00 5.51 H new ATOM 0 HD3 LYS A 66 -20.720 -15.806 -13.200 1.00 5.51 H new ATOM 0 HE2 LYS A 66 -22.169 -15.398 -14.988 1.00 42.10 H new ATOM 0 HE3 LYS A 66 -23.194 -16.770 -14.615 1.00 42.10 H new ATOM 0 HZ1 LYS A 66 -24.286 -14.691 -14.081 1.00 52.12 H new ATOM 0 HZ2 LYS A 66 -24.022 -15.587 -12.663 1.00 52.12 H new ATOM 0 HZ3 LYS A 66 -23.029 -14.257 -13.025 1.00 52.12 H new ATOM 1103 N GLN A 67 -17.372 -19.254 -11.407 1.00 65.52 N ATOM 1104 CA GLN A 67 -16.647 -19.838 -10.284 1.00 41.24 C ATOM 1105 C GLN A 67 -15.666 -18.833 -9.688 1.00 74.13 C ATOM 1106 O GLN A 67 -15.460 -18.797 -8.475 1.00 14.30 O ATOM 1107 CB GLN A 67 -15.899 -21.095 -10.731 1.00 22.12 C ATOM 1108 CG GLN A 67 -16.782 -22.329 -10.819 1.00 22.42 C ATOM 1109 CD GLN A 67 -17.480 -22.642 -9.510 1.00 53.22 C ATOM 1110 OE1 GLN A 67 -16.923 -23.311 -8.640 1.00 3.12 O ATOM 1111 NE2 GLN A 67 -18.708 -22.158 -9.364 1.00 11.42 N ATOM 0 H GLN A 67 -17.254 -19.751 -12.290 1.00 65.52 H new ATOM 0 HA GLN A 67 -17.372 -20.109 -9.517 1.00 41.24 H new ATOM 0 HB2 GLN A 67 -15.447 -20.911 -11.706 1.00 22.12 H new ATOM 0 HB3 GLN A 67 -15.084 -21.290 -10.034 1.00 22.12 H new ATOM 0 HG2 GLN A 67 -17.529 -22.181 -11.599 1.00 22.42 H new ATOM 0 HG3 GLN A 67 -16.176 -23.184 -11.117 1.00 22.42 H new ATOM 0 HE21 GLN A 67 -19.132 -21.608 -10.111 1.00 11.42 H new ATOM 0 HE22 GLN A 67 -19.228 -22.336 -8.505 1.00 11.42 H new ATOM 1120 N TYR A 68 -15.064 -18.020 -10.549 1.00 14.22 N ATOM 1121 CA TYR A 68 -14.103 -17.016 -10.107 1.00 71.35 C ATOM 1122 C TYR A 68 -14.807 -15.860 -9.404 1.00 40.21 C ATOM 1123 O TYR A 68 -14.289 -15.298 -8.438 1.00 73.44 O ATOM 1124 CB TYR A 68 -13.300 -16.491 -11.298 1.00 40.54 C ATOM 1125 CG TYR A 68 -12.425 -15.304 -10.962 1.00 54.35 C ATOM 1126 CD1 TYR A 68 -11.293 -15.452 -10.171 1.00 15.44 C ATOM 1127 CD2 TYR A 68 -12.731 -14.034 -11.438 1.00 61.30 C ATOM 1128 CE1 TYR A 68 -10.492 -14.370 -9.861 1.00 13.14 C ATOM 1129 CE2 TYR A 68 -11.934 -12.947 -11.134 1.00 75.03 C ATOM 1130 CZ TYR A 68 -10.817 -13.120 -10.345 1.00 3.21 C ATOM 1131 OH TYR A 68 -10.020 -12.040 -10.040 1.00 13.04 O ATOM 0 H TYR A 68 -15.224 -18.036 -11.556 1.00 14.22 H new ATOM 0 HA TYR A 68 -13.423 -17.488 -9.398 1.00 71.35 H new ATOM 0 HB2 TYR A 68 -12.674 -17.295 -11.686 1.00 40.54 H new ATOM 0 HB3 TYR A 68 -13.989 -16.210 -12.095 1.00 40.54 H new ATOM 0 HD1 TYR A 68 -11.035 -16.430 -9.792 1.00 15.44 H new ATOM 0 HD2 TYR A 68 -13.606 -13.895 -12.056 1.00 61.30 H new ATOM 0 HE1 TYR A 68 -9.616 -14.502 -9.243 1.00 13.14 H new ATOM 0 HE2 TYR A 68 -12.185 -11.967 -11.513 1.00 75.03 H new ATOM 0 HH TYR A 68 -9.095 -12.340 -9.919 1.00 13.04 H new ATOM 1141 N ASP A 69 -15.991 -15.510 -9.895 1.00 44.02 N ATOM 1142 CA ASP A 69 -16.768 -14.422 -9.314 1.00 52.20 C ATOM 1143 C ASP A 69 -17.191 -14.758 -7.887 1.00 41.32 C ATOM 1144 O ASP A 69 -17.403 -13.866 -7.066 1.00 25.01 O ATOM 1145 CB ASP A 69 -18.002 -14.134 -10.170 1.00 74.35 C ATOM 1146 CG ASP A 69 -17.694 -13.225 -11.344 1.00 22.13 C ATOM 1147 OD1 ASP A 69 -18.418 -12.224 -11.525 1.00 51.33 O ATOM 1148 OD2 ASP A 69 -16.728 -13.514 -12.080 1.00 23.22 O ATOM 0 H ASP A 69 -16.433 -15.964 -10.694 1.00 44.02 H new ATOM 0 HA ASP A 69 -16.138 -13.533 -9.288 1.00 52.20 H new ATOM 0 HB2 ASP A 69 -18.411 -15.074 -10.540 1.00 74.35 H new ATOM 0 HB3 ASP A 69 -18.771 -13.674 -9.550 1.00 74.35 H new ATOM 1153 N ALA A 70 -17.313 -16.050 -7.600 1.00 41.43 N ATOM 1154 CA ALA A 70 -17.709 -16.503 -6.273 1.00 33.10 C ATOM 1155 C ALA A 70 -16.701 -16.060 -5.218 1.00 34.53 C ATOM 1156 O ALA A 70 -17.076 -15.690 -4.105 1.00 4.12 O ATOM 1157 CB ALA A 70 -17.863 -18.017 -6.257 1.00 12.24 C ATOM 0 H ALA A 70 -17.143 -16.801 -8.269 1.00 41.43 H new ATOM 0 HA ALA A 70 -18.670 -16.048 -6.032 1.00 33.10 H new ATOM 0 HB1 ALA A 70 -18.159 -18.342 -5.260 1.00 12.24 H new ATOM 0 HB2 ALA A 70 -18.626 -18.313 -6.977 1.00 12.24 H new ATOM 0 HB3 ALA A 70 -16.914 -18.482 -6.523 1.00 12.24 H new ATOM 1163 N TYR A 71 -15.422 -16.102 -5.574 1.00 35.21 N ATOM 1164 CA TYR A 71 -14.360 -15.708 -4.656 1.00 72.20 C ATOM 1165 C TYR A 71 -13.840 -14.314 -4.991 1.00 41.23 C ATOM 1166 O TYR A 71 -12.692 -13.981 -4.701 1.00 43.21 O ATOM 1167 CB TYR A 71 -13.213 -16.719 -4.707 1.00 0.33 C ATOM 1168 CG TYR A 71 -13.495 -17.994 -3.945 1.00 10.24 C ATOM 1169 CD1 TYR A 71 -13.935 -17.956 -2.627 1.00 3.20 C ATOM 1170 CD2 TYR A 71 -13.321 -19.236 -4.541 1.00 60.24 C ATOM 1171 CE1 TYR A 71 -14.193 -19.118 -1.926 1.00 60.14 C ATOM 1172 CE2 TYR A 71 -13.578 -20.404 -3.849 1.00 53.40 C ATOM 1173 CZ TYR A 71 -14.014 -20.339 -2.542 1.00 22.41 C ATOM 1174 OH TYR A 71 -14.270 -21.500 -1.848 1.00 42.03 O ATOM 0 H TYR A 71 -15.096 -16.405 -6.492 1.00 35.21 H new ATOM 0 HA TYR A 71 -14.774 -15.689 -3.648 1.00 72.20 H new ATOM 0 HB2 TYR A 71 -13.004 -16.966 -5.748 1.00 0.33 H new ATOM 0 HB3 TYR A 71 -12.313 -16.256 -4.303 1.00 0.33 H new ATOM 0 HD1 TYR A 71 -14.078 -17.001 -2.143 1.00 3.20 H new ATOM 0 HD2 TYR A 71 -12.979 -19.290 -5.564 1.00 60.24 H new ATOM 0 HE1 TYR A 71 -14.533 -19.071 -0.902 1.00 60.14 H new ATOM 0 HE2 TYR A 71 -13.438 -21.362 -4.328 1.00 53.40 H new ATOM 0 HH TYR A 71 -14.095 -22.272 -2.426 1.00 42.03 H new ATOM 1184 N GLY A 72 -14.695 -13.502 -5.605 1.00 14.42 N ATOM 1185 CA GLY A 72 -14.306 -12.152 -5.970 1.00 25.14 C ATOM 1186 C GLY A 72 -14.985 -11.101 -5.115 1.00 32.14 C ATOM 1187 O GLY A 72 -16.113 -11.295 -4.661 1.00 0.51 O ATOM 0 H GLY A 72 -15.651 -13.755 -5.856 1.00 14.42 H new ATOM 0 HA2 GLY A 72 -13.225 -12.051 -5.874 1.00 25.14 H new ATOM 0 HA3 GLY A 72 -14.551 -11.977 -7.018 1.00 25.14 H new ATOM 1191 N SER A 73 -14.297 -9.986 -4.893 1.00 13.44 N ATOM 1192 CA SER A 73 -14.839 -8.902 -4.081 1.00 54.03 C ATOM 1193 C SER A 73 -15.741 -7.997 -4.916 1.00 24.01 C ATOM 1194 O SER A 73 -16.479 -7.174 -4.378 1.00 53.21 O ATOM 1195 CB SER A 73 -13.705 -8.082 -3.464 1.00 42.22 C ATOM 1196 OG SER A 73 -13.257 -7.078 -4.358 1.00 43.21 O ATOM 0 H SER A 73 -13.363 -9.809 -5.264 1.00 13.44 H new ATOM 0 HA SER A 73 -15.435 -9.343 -3.282 1.00 54.03 H new ATOM 0 HB2 SER A 73 -14.047 -7.622 -2.537 1.00 42.22 H new ATOM 0 HB3 SER A 73 -12.875 -8.740 -3.206 1.00 42.22 H new ATOM 0 HG SER A 73 -12.533 -6.567 -3.940 1.00 43.21 H new TER 1202 SER A 73