USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 612 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 12 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 TYR OH : rot -9:sc= -0.0159! USER MOD Single : A 6 TYR OH : rot -7:sc= -3.14! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 39:sc= 0.108 USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= -0.0864 (180deg=-1.14!) USER MOD Single : A 29 MET CE :methyl 173:sc= -0.967 (180deg=-1.02) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -8.92! C(o=-8.9!,f=-8.7!) USER MOD Single : A 36 ASN : amide:sc= -0.0471 K(o=-0.047,f=-4!) USER MOD Single : A 37 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.36) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -146:sc= -0.374 (180deg=-1.7!) USER MOD Single : A 50 LYS NZ :NH3+ 176:sc=-0.00448 (180deg=-0.0115) USER MOD Single : A 53 TYR OH : rot 8:sc= -2.06! USER MOD Single : A 57 THR OG1 : rot -37:sc= 0.355! USER MOD Single : A 59 SER OG : rot 180:sc= 0.0286 USER MOD Single : A 60 GLN : amide:sc= -2.25 K(o=-2.2,f=-0.58) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 66:sc= -1.64! USER MOD Single : A 67 GLN : amide:sc= -0.764 K(o=-0.76,f=-0.011) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-2.5) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 64.946 -14.688 6.880 1.00 0.00 N ATOM 2 CA ALA A 1 66.069 -13.708 6.942 1.00 0.00 C ATOM 3 C ALA A 1 66.528 -13.336 5.531 1.00 0.00 C ATOM 4 O ALA A 1 67.613 -13.683 5.107 1.00 0.00 O ATOM 5 CB ALA A 1 67.186 -14.429 7.698 1.00 0.00 C ATOM 0 H1 ALA A 1 64.644 -14.932 7.845 1.00 0.00 H new ATOM 0 H2 ALA A 1 64.147 -14.268 6.363 1.00 0.00 H new ATOM 0 H3 ALA A 1 65.263 -15.548 6.389 1.00 0.00 H new ATOM 0 HA ALA A 1 65.778 -12.780 7.434 1.00 0.00 H new ATOM 0 HB1 ALA A 1 68.050 -13.771 7.785 1.00 0.00 H new ATOM 0 HB2 ALA A 1 66.835 -14.701 8.694 1.00 0.00 H new ATOM 0 HB3 ALA A 1 67.470 -15.330 7.155 1.00 0.00 H new ATOM 13 N LYS A 2 65.712 -12.626 4.800 1.00 0.00 N ATOM 14 CA LYS A 2 66.105 -12.228 3.419 1.00 0.00 C ATOM 15 C LYS A 2 66.160 -10.702 3.312 1.00 0.00 C ATOM 16 O LYS A 2 65.999 -9.997 4.289 1.00 0.00 O ATOM 17 CB LYS A 2 65.007 -12.791 2.514 1.00 0.00 C ATOM 18 CG LYS A 2 65.605 -13.160 1.156 1.00 0.00 C ATOM 19 CD LYS A 2 65.124 -12.164 0.098 1.00 0.00 C ATOM 20 CE LYS A 2 64.537 -12.928 -1.092 1.00 0.00 C ATOM 21 NZ LYS A 2 65.700 -13.196 -1.984 1.00 0.00 N ATOM 0 H LYS A 2 64.791 -12.305 5.099 1.00 0.00 H new ATOM 0 HA LYS A 2 67.090 -12.605 3.142 1.00 0.00 H new ATOM 0 HB2 LYS A 2 64.556 -13.669 2.975 1.00 0.00 H new ATOM 0 HB3 LYS A 2 64.213 -12.055 2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 2 66.694 -13.150 1.211 1.00 0.00 H new ATOM 0 HG3 LYS A 2 65.309 -14.172 0.879 1.00 0.00 H new ATOM 0 HD2 LYS A 2 64.372 -11.499 0.524 1.00 0.00 H new ATOM 0 HD3 LYS A 2 65.953 -11.538 -0.231 1.00 0.00 H new ATOM 0 HE2 LYS A 2 64.063 -13.855 -0.771 1.00 0.00 H new ATOM 0 HE3 LYS A 2 63.774 -12.340 -1.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 65.380 -13.718 -2.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 66.127 -12.294 -2.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 66.406 -13.763 -1.473 1.00 0.00 H new ATOM 35 N GLN A 3 66.389 -10.184 2.138 1.00 0.00 N ATOM 36 CA GLN A 3 66.453 -8.703 1.982 1.00 0.00 C ATOM 37 C GLN A 3 65.046 -8.122 1.839 1.00 0.00 C ATOM 38 O GLN A 3 64.382 -8.310 0.840 1.00 0.00 O ATOM 39 CB GLN A 3 67.262 -8.465 0.708 1.00 0.00 C ATOM 40 CG GLN A 3 68.312 -7.383 0.967 1.00 0.00 C ATOM 41 CD GLN A 3 69.652 -7.816 0.371 1.00 0.00 C ATOM 42 OE1 GLN A 3 70.620 -7.988 1.083 1.00 0.00 O ATOM 43 NE2 GLN A 3 69.747 -8.002 -0.917 1.00 0.00 N ATOM 0 H GLN A 3 66.534 -10.719 1.282 1.00 0.00 H new ATOM 0 HA GLN A 3 66.909 -8.222 2.847 1.00 0.00 H new ATOM 0 HB2 GLN A 3 67.746 -9.389 0.394 1.00 0.00 H new ATOM 0 HB3 GLN A 3 66.602 -8.159 -0.104 1.00 0.00 H new ATOM 0 HG2 GLN A 3 67.993 -6.439 0.524 1.00 0.00 H new ATOM 0 HG3 GLN A 3 68.417 -7.213 2.039 1.00 0.00 H new ATOM 0 HE21 GLN A 3 68.933 -7.857 -1.515 1.00 0.00 H new ATOM 0 HE22 GLN A 3 70.635 -8.292 -1.326 1.00 0.00 H new ATOM 52 N ASP A 4 64.592 -7.412 2.834 1.00 0.00 N ATOM 53 CA ASP A 4 63.229 -6.808 2.760 1.00 0.00 C ATOM 54 C ASP A 4 63.333 -5.310 2.567 1.00 0.00 C ATOM 55 O ASP A 4 63.861 -4.601 3.394 1.00 0.00 O ATOM 56 CB ASP A 4 62.515 -7.120 4.093 1.00 0.00 C ATOM 57 CG ASP A 4 63.404 -7.954 5.025 1.00 0.00 C ATOM 58 OD1 ASP A 4 64.489 -7.497 5.342 1.00 0.00 O ATOM 59 OD2 ASP A 4 62.981 -9.034 5.404 1.00 0.00 O ATOM 0 H ASP A 4 65.104 -7.223 3.696 1.00 0.00 H new ATOM 0 HA ASP A 4 62.672 -7.218 1.918 1.00 0.00 H new ATOM 0 HB2 ASP A 4 62.241 -6.188 4.587 1.00 0.00 H new ATOM 0 HB3 ASP A 4 61.589 -7.659 3.893 1.00 0.00 H new ATOM 64 N TYR A 5 62.828 -4.827 1.473 1.00 0.00 N ATOM 65 CA TYR A 5 62.889 -3.359 1.222 1.00 0.00 C ATOM 66 C TYR A 5 62.333 -2.621 2.437 1.00 0.00 C ATOM 67 O TYR A 5 62.901 -1.647 2.889 1.00 0.00 O ATOM 68 CB TYR A 5 62.072 -3.051 -0.041 1.00 0.00 C ATOM 69 CG TYR A 5 61.190 -4.206 -0.423 1.00 0.00 C ATOM 70 CD1 TYR A 5 60.044 -4.484 0.316 1.00 0.00 C ATOM 71 CD2 TYR A 5 61.536 -4.997 -1.520 1.00 0.00 C ATOM 72 CE1 TYR A 5 59.226 -5.565 -0.043 1.00 0.00 C ATOM 73 CE2 TYR A 5 60.724 -6.077 -1.885 1.00 0.00 C ATOM 74 CZ TYR A 5 59.567 -6.362 -1.147 1.00 0.00 C ATOM 75 OH TYR A 5 58.763 -7.425 -1.506 1.00 0.00 O ATOM 0 H TYR A 5 62.377 -5.378 0.743 1.00 0.00 H new ATOM 0 HA TYR A 5 63.916 -3.029 1.067 1.00 0.00 H new ATOM 0 HB2 TYR A 5 61.460 -2.165 0.128 1.00 0.00 H new ATOM 0 HB3 TYR A 5 62.747 -2.820 -0.865 1.00 0.00 H new ATOM 0 HD1 TYR A 5 59.785 -3.868 1.165 1.00 0.00 H new ATOM 0 HD2 TYR A 5 62.429 -4.776 -2.086 1.00 0.00 H new ATOM 0 HE1 TYR A 5 58.336 -5.784 0.528 1.00 0.00 H new ATOM 0 HE2 TYR A 5 60.989 -6.690 -2.734 1.00 0.00 H new ATOM 0 HH TYR A 5 58.085 -7.570 -0.814 1.00 0.00 H new ATOM 85 N TYR A 6 61.263 -3.096 3.022 1.00 0.00 N ATOM 86 CA TYR A 6 60.769 -2.414 4.245 1.00 0.00 C ATOM 87 C TYR A 6 61.961 -2.292 5.185 1.00 0.00 C ATOM 88 O TYR A 6 62.059 -1.387 5.989 1.00 0.00 O ATOM 89 CB TYR A 6 59.676 -3.307 4.812 1.00 0.00 C ATOM 90 CG TYR A 6 58.387 -3.006 4.084 1.00 0.00 C ATOM 91 CD1 TYR A 6 57.562 -1.964 4.527 1.00 0.00 C ATOM 92 CD2 TYR A 6 58.017 -3.768 2.972 1.00 0.00 C ATOM 93 CE1 TYR A 6 56.364 -1.687 3.859 1.00 0.00 C ATOM 94 CE2 TYR A 6 56.820 -3.491 2.302 1.00 0.00 C ATOM 95 CZ TYR A 6 55.993 -2.452 2.746 1.00 0.00 C ATOM 96 OH TYR A 6 54.811 -2.183 2.086 1.00 0.00 O ATOM 0 H TYR A 6 60.725 -3.906 2.713 1.00 0.00 H new ATOM 0 HA TYR A 6 60.360 -1.418 4.074 1.00 0.00 H new ATOM 0 HB2 TYR A 6 59.943 -4.357 4.691 1.00 0.00 H new ATOM 0 HB3 TYR A 6 59.558 -3.129 5.881 1.00 0.00 H new ATOM 0 HD1 TYR A 6 57.851 -1.374 5.384 1.00 0.00 H new ATOM 0 HD2 TYR A 6 58.654 -4.570 2.630 1.00 0.00 H new ATOM 0 HE1 TYR A 6 55.727 -0.885 4.201 1.00 0.00 H new ATOM 0 HE2 TYR A 6 56.534 -4.079 1.442 1.00 0.00 H new ATOM 0 HH TYR A 6 54.303 -1.510 2.586 1.00 0.00 H new ATOM 106 N GLU A 7 62.905 -3.184 5.023 1.00 0.00 N ATOM 107 CA GLU A 7 64.148 -3.124 5.827 1.00 0.00 C ATOM 108 C GLU A 7 65.145 -2.226 5.090 1.00 0.00 C ATOM 109 O GLU A 7 65.920 -1.514 5.698 1.00 0.00 O ATOM 110 CB GLU A 7 64.663 -4.562 5.906 1.00 0.00 C ATOM 111 CG GLU A 7 65.602 -4.696 7.107 1.00 0.00 C ATOM 112 CD GLU A 7 65.849 -6.176 7.403 1.00 0.00 C ATOM 113 OE1 GLU A 7 66.403 -6.846 6.549 1.00 0.00 O ATOM 114 OE2 GLU A 7 65.482 -6.612 8.483 1.00 0.00 O ATOM 0 H GLU A 7 62.861 -3.957 4.359 1.00 0.00 H new ATOM 0 HA GLU A 7 63.995 -2.719 6.827 1.00 0.00 H new ATOM 0 HB2 GLU A 7 63.827 -5.255 6.004 1.00 0.00 H new ATOM 0 HB3 GLU A 7 65.189 -4.824 4.988 1.00 0.00 H new ATOM 0 HG2 GLU A 7 66.547 -4.194 6.900 1.00 0.00 H new ATOM 0 HG3 GLU A 7 65.166 -4.208 7.979 1.00 0.00 H new ATOM 121 N ILE A 8 65.113 -2.233 3.775 1.00 0.00 N ATOM 122 CA ILE A 8 66.043 -1.355 3.005 1.00 0.00 C ATOM 123 C ILE A 8 65.984 0.055 3.594 1.00 0.00 C ATOM 124 O ILE A 8 66.988 0.672 3.891 1.00 0.00 O ATOM 125 CB ILE A 8 65.523 -1.347 1.557 1.00 0.00 C ATOM 126 CG1 ILE A 8 66.121 -2.527 0.775 1.00 0.00 C ATOM 127 CG2 ILE A 8 65.948 -0.048 0.864 1.00 0.00 C ATOM 128 CD1 ILE A 8 66.204 -3.774 1.659 1.00 0.00 C ATOM 0 H ILE A 8 64.486 -2.806 3.210 1.00 0.00 H new ATOM 0 HA ILE A 8 67.074 -1.705 3.046 1.00 0.00 H new ATOM 0 HB ILE A 8 64.436 -1.428 1.579 1.00 0.00 H new ATOM 0 HG12 ILE A 8 65.508 -2.737 -0.102 1.00 0.00 H new ATOM 0 HG13 ILE A 8 67.115 -2.264 0.414 1.00 0.00 H new ATOM 0 HG21 ILE A 8 65.578 -0.045 -0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 8 65.533 0.804 1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 8 67.036 0.022 0.858 1.00 0.00 H new ATOM 0 HD11 ILE A 8 66.630 -4.598 1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 8 66.836 -3.567 2.522 1.00 0.00 H new ATOM 0 HD13 ILE A 8 65.205 -4.047 1.998 1.00 0.00 H new ATOM 140 N LEU A 9 64.791 0.549 3.760 1.00 0.00 N ATOM 141 CA LEU A 9 64.586 1.912 4.331 1.00 0.00 C ATOM 142 C LEU A 9 64.796 1.872 5.843 1.00 0.00 C ATOM 143 O LEU A 9 64.862 2.886 6.505 1.00 0.00 O ATOM 144 CB LEU A 9 63.129 2.211 4.008 1.00 0.00 C ATOM 145 CG LEU A 9 62.996 2.469 2.517 1.00 0.00 C ATOM 146 CD1 LEU A 9 61.679 1.878 2.012 1.00 0.00 C ATOM 147 CD2 LEU A 9 63.019 3.975 2.261 1.00 0.00 C ATOM 0 H LEU A 9 63.930 0.057 3.520 1.00 0.00 H new ATOM 0 HA LEU A 9 65.272 2.660 3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 9 62.498 1.372 4.303 1.00 0.00 H new ATOM 0 HB3 LEU A 9 62.789 3.079 4.572 1.00 0.00 H new ATOM 0 HG LEU A 9 63.825 1.999 1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 9 61.584 2.063 0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 9 61.668 0.804 2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 9 60.846 2.345 2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 9 62.924 4.164 1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 9 62.189 4.446 2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 9 63.960 4.391 2.620 1.00 0.00 H new ATOM 159 N GLY A 10 64.875 0.695 6.393 1.00 0.00 N ATOM 160 CA GLY A 10 65.050 0.567 7.860 1.00 0.00 C ATOM 161 C GLY A 10 63.674 0.655 8.509 1.00 0.00 C ATOM 162 O GLY A 10 63.546 0.900 9.692 1.00 0.00 O ATOM 0 H GLY A 10 64.825 -0.188 5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 10 65.527 -0.382 8.105 1.00 0.00 H new ATOM 0 HA3 GLY A 10 65.700 1.357 8.236 1.00 0.00 H new ATOM 166 N VAL A 11 62.637 0.468 7.732 1.00 0.00 N ATOM 167 CA VAL A 11 61.261 0.556 8.309 1.00 0.00 C ATOM 168 C VAL A 11 60.698 -0.835 8.580 1.00 0.00 C ATOM 169 O VAL A 11 61.294 -1.841 8.252 1.00 0.00 O ATOM 170 CB VAL A 11 60.358 1.253 7.272 1.00 0.00 C ATOM 171 CG1 VAL A 11 59.687 2.454 7.920 1.00 0.00 C ATOM 172 CG2 VAL A 11 61.132 1.728 6.044 1.00 0.00 C ATOM 0 H VAL A 11 62.682 0.261 6.734 1.00 0.00 H new ATOM 0 HA VAL A 11 61.298 1.109 9.248 1.00 0.00 H new ATOM 0 HB VAL A 11 59.623 0.521 6.939 1.00 0.00 H new ATOM 0 HG11 VAL A 11 59.047 2.951 7.191 1.00 0.00 H new ATOM 0 HG12 VAL A 11 59.084 2.122 8.765 1.00 0.00 H new ATOM 0 HG13 VAL A 11 60.448 3.152 8.269 1.00 0.00 H new ATOM 0 HG21 VAL A 11 60.447 2.211 5.347 1.00 0.00 H new ATOM 0 HG22 VAL A 11 61.900 2.439 6.350 1.00 0.00 H new ATOM 0 HG23 VAL A 11 61.602 0.873 5.557 1.00 0.00 H new ATOM 182 N SER A 12 59.532 -0.889 9.159 1.00 0.00 N ATOM 183 CA SER A 12 58.895 -2.201 9.434 1.00 0.00 C ATOM 184 C SER A 12 58.162 -2.670 8.184 1.00 0.00 C ATOM 185 O SER A 12 57.671 -1.872 7.411 1.00 0.00 O ATOM 186 CB SER A 12 57.912 -1.936 10.575 1.00 0.00 C ATOM 187 OG SER A 12 57.282 -3.155 10.948 1.00 0.00 O ATOM 0 H SER A 12 58.992 -0.076 9.454 1.00 0.00 H new ATOM 0 HA SER A 12 59.613 -2.976 9.703 1.00 0.00 H new ATOM 0 HB2 SER A 12 58.436 -1.508 11.430 1.00 0.00 H new ATOM 0 HB3 SER A 12 57.164 -1.208 10.263 1.00 0.00 H new ATOM 0 HG SER A 12 56.653 -2.987 11.680 1.00 0.00 H new ATOM 193 N LYS A 13 58.076 -3.951 7.972 1.00 0.00 N ATOM 194 CA LYS A 13 57.364 -4.439 6.764 1.00 0.00 C ATOM 195 C LYS A 13 56.010 -3.743 6.647 1.00 0.00 C ATOM 196 O LYS A 13 55.421 -3.679 5.585 1.00 0.00 O ATOM 197 CB LYS A 13 57.212 -5.938 6.959 1.00 0.00 C ATOM 198 CG LYS A 13 56.127 -6.219 8.000 1.00 0.00 C ATOM 199 CD LYS A 13 56.017 -7.727 8.233 1.00 0.00 C ATOM 200 CE LYS A 13 54.555 -8.096 8.499 1.00 0.00 C ATOM 201 NZ LYS A 13 54.407 -8.047 9.980 1.00 0.00 N ATOM 0 H LYS A 13 58.464 -4.675 8.577 1.00 0.00 H new ATOM 0 HA LYS A 13 57.904 -4.224 5.842 1.00 0.00 H new ATOM 0 HB2 LYS A 13 56.952 -6.412 6.013 1.00 0.00 H new ATOM 0 HB3 LYS A 13 58.159 -6.370 7.282 1.00 0.00 H new ATOM 0 HG2 LYS A 13 56.366 -5.713 8.935 1.00 0.00 H new ATOM 0 HG3 LYS A 13 55.170 -5.823 7.659 1.00 0.00 H new ATOM 0 HD2 LYS A 13 56.387 -8.268 7.363 1.00 0.00 H new ATOM 0 HD3 LYS A 13 56.638 -8.021 9.079 1.00 0.00 H new ATOM 0 HE2 LYS A 13 53.877 -7.396 8.011 1.00 0.00 H new ATOM 0 HE3 LYS A 13 54.322 -9.088 8.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 53.429 -8.289 10.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 55.060 -8.729 10.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 54.628 -7.089 10.319 1.00 0.00 H new ATOM 215 N THR A 14 55.518 -3.212 7.729 1.00 0.00 N ATOM 216 CA THR A 14 54.211 -2.505 7.690 1.00 0.00 C ATOM 217 C THR A 14 54.433 -1.004 7.913 1.00 0.00 C ATOM 218 O THR A 14 53.501 -0.265 8.136 1.00 0.00 O ATOM 219 CB THR A 14 53.390 -3.115 8.833 1.00 0.00 C ATOM 220 OG1 THR A 14 53.703 -2.446 10.048 1.00 0.00 O ATOM 221 CG2 THR A 14 53.721 -4.605 8.970 1.00 0.00 C ATOM 0 H THR A 14 55.968 -3.238 8.644 1.00 0.00 H new ATOM 0 HA THR A 14 53.701 -2.615 6.733 1.00 0.00 H new ATOM 0 HB THR A 14 52.328 -3.001 8.616 1.00 0.00 H new ATOM 0 HG1 THR A 14 53.178 -2.833 10.779 1.00 0.00 H new ATOM 0 HG21 THR A 14 53.136 -5.034 9.783 1.00 0.00 H new ATOM 0 HG22 THR A 14 53.480 -5.118 8.039 1.00 0.00 H new ATOM 0 HG23 THR A 14 54.783 -4.724 9.185 1.00 0.00 H new ATOM 229 N ALA A 15 55.673 -0.565 7.856 1.00 0.00 N ATOM 230 CA ALA A 15 56.007 0.885 8.060 1.00 0.00 C ATOM 231 C ALA A 15 54.933 1.836 7.496 1.00 0.00 C ATOM 232 O ALA A 15 53.833 1.922 7.997 1.00 0.00 O ATOM 233 CB ALA A 15 57.330 1.049 7.327 1.00 0.00 C ATOM 0 H ALA A 15 56.480 -1.161 7.674 1.00 0.00 H new ATOM 0 HA ALA A 15 56.060 1.144 9.117 1.00 0.00 H new ATOM 0 HB1 ALA A 15 57.668 2.082 7.413 1.00 0.00 H new ATOM 0 HB2 ALA A 15 58.074 0.385 7.767 1.00 0.00 H new ATOM 0 HB3 ALA A 15 57.197 0.798 6.275 1.00 0.00 H new ATOM 239 N GLU A 16 55.268 2.576 6.476 1.00 0.00 N ATOM 240 CA GLU A 16 54.303 3.550 5.874 1.00 0.00 C ATOM 241 C GLU A 16 55.057 4.514 4.945 1.00 0.00 C ATOM 242 O GLU A 16 56.062 5.083 5.316 1.00 0.00 O ATOM 243 CB GLU A 16 53.697 4.309 7.057 1.00 0.00 C ATOM 244 CG GLU A 16 52.271 3.815 7.307 1.00 0.00 C ATOM 245 CD GLU A 16 51.270 4.827 6.749 1.00 0.00 C ATOM 246 OE1 GLU A 16 51.543 5.387 5.701 1.00 0.00 O ATOM 247 OE2 GLU A 16 50.244 5.025 7.380 1.00 0.00 O ATOM 0 H GLU A 16 56.182 2.550 6.025 1.00 0.00 H new ATOM 0 HA GLU A 16 53.533 3.058 5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 16 54.306 4.159 7.949 1.00 0.00 H new ATOM 0 HB3 GLU A 16 53.691 5.379 6.851 1.00 0.00 H new ATOM 0 HG2 GLU A 16 52.124 2.844 6.833 1.00 0.00 H new ATOM 0 HG3 GLU A 16 52.106 3.677 8.375 1.00 0.00 H new ATOM 254 N GLU A 17 54.583 4.687 3.740 1.00 0.00 N ATOM 255 CA GLU A 17 55.273 5.600 2.772 1.00 0.00 C ATOM 256 C GLU A 17 55.872 6.827 3.477 1.00 0.00 C ATOM 257 O GLU A 17 57.019 7.162 3.284 1.00 0.00 O ATOM 258 CB GLU A 17 54.185 6.028 1.785 1.00 0.00 C ATOM 259 CG GLU A 17 52.952 6.516 2.547 1.00 0.00 C ATOM 260 CD GLU A 17 51.735 6.485 1.620 1.00 0.00 C ATOM 261 OE1 GLU A 17 51.818 5.842 0.587 1.00 0.00 O ATOM 262 OE2 GLU A 17 50.740 7.105 1.959 1.00 0.00 O ATOM 0 H GLU A 17 53.743 4.234 3.379 1.00 0.00 H new ATOM 0 HA GLU A 17 56.108 5.099 2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 17 54.560 6.821 1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 17 53.917 5.191 1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 17 52.776 5.884 3.418 1.00 0.00 H new ATOM 0 HG3 GLU A 17 53.116 7.529 2.916 1.00 0.00 H new ATOM 269 N ARG A 18 55.102 7.507 4.274 1.00 0.00 N ATOM 270 CA ARG A 18 55.621 8.725 4.975 1.00 0.00 C ATOM 271 C ARG A 18 56.897 8.425 5.770 1.00 0.00 C ATOM 272 O ARG A 18 57.827 9.207 5.791 1.00 0.00 O ATOM 273 CB ARG A 18 54.496 9.124 5.924 1.00 0.00 C ATOM 274 CG ARG A 18 54.126 7.921 6.795 1.00 0.00 C ATOM 275 CD ARG A 18 52.981 8.301 7.733 1.00 0.00 C ATOM 276 NE ARG A 18 53.631 9.043 8.848 1.00 0.00 N ATOM 277 CZ ARG A 18 54.041 8.400 9.907 1.00 0.00 C ATOM 278 NH1 ARG A 18 53.174 7.897 10.741 1.00 0.00 N ATOM 279 NH2 ARG A 18 55.321 8.261 10.131 1.00 0.00 N ATOM 0 H ARG A 18 54.129 7.276 4.476 1.00 0.00 H new ATOM 0 HA ARG A 18 55.886 9.511 4.267 1.00 0.00 H new ATOM 0 HB2 ARG A 18 54.810 9.959 6.550 1.00 0.00 H new ATOM 0 HB3 ARG A 18 53.627 9.460 5.358 1.00 0.00 H new ATOM 0 HG2 ARG A 18 53.831 7.081 6.166 1.00 0.00 H new ATOM 0 HG3 ARG A 18 54.992 7.598 7.373 1.00 0.00 H new ATOM 0 HD2 ARG A 18 52.242 8.920 7.224 1.00 0.00 H new ATOM 0 HD3 ARG A 18 52.459 7.417 8.098 1.00 0.00 H new ATOM 0 HE ARG A 18 53.756 10.053 8.784 1.00 0.00 H new ATOM 0 HH11 ARG A 18 52.175 8.006 10.566 1.00 0.00 H new ATOM 0 HH12 ARG A 18 53.495 7.394 11.569 1.00 0.00 H new ATOM 0 HH21 ARG A 18 55.999 8.655 9.478 1.00 0.00 H new ATOM 0 HH22 ARG A 18 55.642 7.759 10.958 1.00 0.00 H new ATOM 293 N GLU A 19 56.950 7.300 6.414 1.00 0.00 N ATOM 294 CA GLU A 19 58.146 6.931 7.196 1.00 0.00 C ATOM 295 C GLU A 19 59.081 6.145 6.290 1.00 0.00 C ATOM 296 O GLU A 19 60.256 5.998 6.558 1.00 0.00 O ATOM 297 CB GLU A 19 57.625 6.074 8.354 1.00 0.00 C ATOM 298 CG GLU A 19 56.683 4.981 7.840 1.00 0.00 C ATOM 299 CD GLU A 19 56.423 3.965 8.954 1.00 0.00 C ATOM 300 OE1 GLU A 19 55.481 4.164 9.702 1.00 0.00 O ATOM 301 OE2 GLU A 19 57.169 3.006 9.041 1.00 0.00 O ATOM 0 H GLU A 19 56.199 6.610 6.430 1.00 0.00 H new ATOM 0 HA GLU A 19 58.701 7.787 7.579 1.00 0.00 H new ATOM 0 HB2 GLU A 19 58.463 5.619 8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 19 57.100 6.705 9.072 1.00 0.00 H new ATOM 0 HG2 GLU A 19 55.743 5.422 7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 19 57.123 4.484 6.976 1.00 0.00 H new ATOM 308 N ILE A 20 58.565 5.684 5.184 1.00 0.00 N ATOM 309 CA ILE A 20 59.420 4.955 4.217 1.00 0.00 C ATOM 310 C ILE A 20 60.102 6.005 3.359 1.00 0.00 C ATOM 311 O ILE A 20 61.310 6.103 3.304 1.00 0.00 O ATOM 312 CB ILE A 20 58.469 4.115 3.376 1.00 0.00 C ATOM 313 CG1 ILE A 20 57.769 3.077 4.267 1.00 0.00 C ATOM 314 CG2 ILE A 20 59.266 3.424 2.268 1.00 0.00 C ATOM 315 CD1 ILE A 20 58.714 1.913 4.572 1.00 0.00 C ATOM 0 H ILE A 20 57.587 5.783 4.912 1.00 0.00 H new ATOM 0 HA ILE A 20 60.174 4.321 4.684 1.00 0.00 H new ATOM 0 HB ILE A 20 57.707 4.751 2.925 1.00 0.00 H new ATOM 0 HG12 ILE A 20 57.446 3.545 5.197 1.00 0.00 H new ATOM 0 HG13 ILE A 20 56.873 2.706 3.769 1.00 0.00 H new ATOM 0 HG21 ILE A 20 58.594 2.819 1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 20 59.745 4.176 1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 20 60.028 2.784 2.713 1.00 0.00 H new ATOM 0 HD11 ILE A 20 58.204 1.186 5.204 1.00 0.00 H new ATOM 0 HD12 ILE A 20 59.015 1.435 3.640 1.00 0.00 H new ATOM 0 HD13 ILE A 20 59.597 2.287 5.090 1.00 0.00 H new ATOM 327 N ARG A 21 59.323 6.841 2.735 1.00 0.00 N ATOM 328 CA ARG A 21 59.923 7.931 1.933 1.00 0.00 C ATOM 329 C ARG A 21 60.902 8.667 2.836 1.00 0.00 C ATOM 330 O ARG A 21 61.838 9.297 2.391 1.00 0.00 O ATOM 331 CB ARG A 21 58.752 8.839 1.544 1.00 0.00 C ATOM 332 CG ARG A 21 58.196 9.532 2.794 1.00 0.00 C ATOM 333 CD ARG A 21 59.057 10.752 3.135 1.00 0.00 C ATOM 334 NE ARG A 21 58.086 11.823 3.493 1.00 0.00 N ATOM 335 CZ ARG A 21 58.389 12.693 4.418 1.00 0.00 C ATOM 336 NH1 ARG A 21 58.629 12.290 5.638 1.00 0.00 N ATOM 337 NH2 ARG A 21 58.455 13.962 4.124 1.00 0.00 N ATOM 0 H ARG A 21 58.303 6.815 2.747 1.00 0.00 H new ATOM 0 HA ARG A 21 60.454 7.588 1.045 1.00 0.00 H new ATOM 0 HB2 ARG A 21 59.082 9.584 0.820 1.00 0.00 H new ATOM 0 HB3 ARG A 21 57.969 8.253 1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 21 57.164 9.840 2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 21 58.186 8.836 3.633 1.00 0.00 H new ATOM 0 HD2 ARG A 21 59.732 10.539 3.964 1.00 0.00 H new ATOM 0 HD3 ARG A 21 59.676 11.048 2.288 1.00 0.00 H new ATOM 0 HE ARG A 21 57.186 11.877 3.016 1.00 0.00 H new ATOM 0 HH11 ARG A 21 58.579 11.297 5.866 1.00 0.00 H new ATOM 0 HH12 ARG A 21 58.866 12.968 6.362 1.00 0.00 H new ATOM 0 HH21 ARG A 21 58.270 14.275 3.171 1.00 0.00 H new ATOM 0 HH22 ARG A 21 58.692 14.641 4.847 1.00 0.00 H new ATOM 351 N LYS A 22 60.667 8.575 4.119 1.00 0.00 N ATOM 352 CA LYS A 22 61.541 9.245 5.113 1.00 0.00 C ATOM 353 C LYS A 22 62.868 8.485 5.274 1.00 0.00 C ATOM 354 O LYS A 22 63.935 9.058 5.177 1.00 0.00 O ATOM 355 CB LYS A 22 60.726 9.193 6.412 1.00 0.00 C ATOM 356 CG LYS A 22 61.633 9.511 7.608 1.00 0.00 C ATOM 357 CD LYS A 22 62.556 10.694 7.277 1.00 0.00 C ATOM 358 CE LYS A 22 61.742 11.988 7.258 1.00 0.00 C ATOM 359 NZ LYS A 22 62.633 13.011 7.876 1.00 0.00 N ATOM 0 H LYS A 22 59.889 8.052 4.522 1.00 0.00 H new ATOM 0 HA LYS A 22 61.808 10.261 4.821 1.00 0.00 H new ATOM 0 HB2 LYS A 22 59.905 9.909 6.366 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.281 8.205 6.534 1.00 0.00 H new ATOM 0 HG2 LYS A 22 61.025 9.748 8.481 1.00 0.00 H new ATOM 0 HG3 LYS A 22 62.230 8.635 7.863 1.00 0.00 H new ATOM 0 HD2 LYS A 22 63.353 10.765 8.017 1.00 0.00 H new ATOM 0 HD3 LYS A 22 63.032 10.537 6.309 1.00 0.00 H new ATOM 0 HE2 LYS A 22 61.467 12.267 6.241 1.00 0.00 H new ATOM 0 HE3 LYS A 22 60.815 11.880 7.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 62.144 13.929 7.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 62.873 12.722 8.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 63.504 13.097 7.315 1.00 0.00 H new ATOM 373 N ALA A 23 62.809 7.206 5.531 1.00 0.00 N ATOM 374 CA ALA A 23 64.066 6.415 5.711 1.00 0.00 C ATOM 375 C ALA A 23 65.044 6.724 4.581 1.00 0.00 C ATOM 376 O ALA A 23 66.201 7.015 4.806 1.00 0.00 O ATOM 377 CB ALA A 23 63.625 4.954 5.664 1.00 0.00 C ATOM 0 H ALA A 23 61.945 6.672 5.625 1.00 0.00 H new ATOM 0 HA ALA A 23 64.577 6.651 6.644 1.00 0.00 H new ATOM 0 HB1 ALA A 23 64.494 4.308 5.789 1.00 0.00 H new ATOM 0 HB2 ALA A 23 62.912 4.763 6.466 1.00 0.00 H new ATOM 0 HB3 ALA A 23 63.154 4.747 4.703 1.00 0.00 H new ATOM 383 N TYR A 24 64.583 6.700 3.370 1.00 0.00 N ATOM 384 CA TYR A 24 65.476 7.037 2.244 1.00 0.00 C ATOM 385 C TYR A 24 65.858 8.493 2.428 1.00 0.00 C ATOM 386 O TYR A 24 66.996 8.879 2.336 1.00 0.00 O ATOM 387 CB TYR A 24 64.610 6.839 1.001 1.00 0.00 C ATOM 388 CG TYR A 24 65.466 6.908 -0.243 1.00 0.00 C ATOM 389 CD1 TYR A 24 66.756 6.363 -0.247 1.00 0.00 C ATOM 390 CD2 TYR A 24 64.962 7.523 -1.396 1.00 0.00 C ATOM 391 CE1 TYR A 24 67.541 6.434 -1.404 1.00 0.00 C ATOM 392 CE2 TYR A 24 65.748 7.595 -2.551 1.00 0.00 C ATOM 393 CZ TYR A 24 67.037 7.050 -2.556 1.00 0.00 C ATOM 394 OH TYR A 24 67.812 7.122 -3.695 1.00 0.00 O ATOM 0 H TYR A 24 63.625 6.461 3.113 1.00 0.00 H new ATOM 0 HA TYR A 24 66.386 6.441 2.174 1.00 0.00 H new ATOM 0 HB2 TYR A 24 64.103 5.875 1.051 1.00 0.00 H new ATOM 0 HB3 TYR A 24 63.835 7.605 0.962 1.00 0.00 H new ATOM 0 HD1 TYR A 24 67.145 5.888 0.642 1.00 0.00 H new ATOM 0 HD2 TYR A 24 63.966 7.942 -1.393 1.00 0.00 H new ATOM 0 HE1 TYR A 24 68.536 6.013 -1.408 1.00 0.00 H new ATOM 0 HE2 TYR A 24 65.360 8.071 -3.439 1.00 0.00 H new ATOM 0 HH TYR A 24 68.311 6.286 -3.804 1.00 0.00 H new ATOM 404 N LYS A 25 64.885 9.288 2.735 1.00 0.00 N ATOM 405 CA LYS A 25 65.124 10.727 2.979 1.00 0.00 C ATOM 406 C LYS A 25 66.260 10.930 3.986 1.00 0.00 C ATOM 407 O LYS A 25 67.216 11.632 3.724 1.00 0.00 O ATOM 408 CB LYS A 25 63.808 11.194 3.583 1.00 0.00 C ATOM 409 CG LYS A 25 63.211 12.311 2.729 1.00 0.00 C ATOM 410 CD LYS A 25 61.852 11.857 2.199 1.00 0.00 C ATOM 411 CE LYS A 25 61.011 13.081 1.827 1.00 0.00 C ATOM 412 NZ LYS A 25 61.936 13.968 1.067 1.00 0.00 N ATOM 0 H LYS A 25 63.912 8.995 2.829 1.00 0.00 H new ATOM 0 HA LYS A 25 65.413 11.268 2.078 1.00 0.00 H new ATOM 0 HB2 LYS A 25 63.110 10.359 3.645 1.00 0.00 H new ATOM 0 HB3 LYS A 25 63.971 11.550 4.600 1.00 0.00 H new ATOM 0 HG2 LYS A 25 63.100 13.220 3.321 1.00 0.00 H new ATOM 0 HG3 LYS A 25 63.878 12.549 1.901 1.00 0.00 H new ATOM 0 HD2 LYS A 25 61.986 11.217 1.327 1.00 0.00 H new ATOM 0 HD3 LYS A 25 61.336 11.264 2.954 1.00 0.00 H new ATOM 0 HE2 LYS A 25 60.149 12.799 1.222 1.00 0.00 H new ATOM 0 HE3 LYS A 25 60.627 13.581 2.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 61.383 14.618 0.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 62.516 14.517 1.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 62.555 13.389 0.464 1.00 0.00 H new ATOM 426 N ARG A 26 66.148 10.343 5.148 1.00 0.00 N ATOM 427 CA ARG A 26 67.210 10.535 6.179 1.00 0.00 C ATOM 428 C ARG A 26 68.505 9.801 5.805 1.00 0.00 C ATOM 429 O ARG A 26 69.590 10.301 6.025 1.00 0.00 O ATOM 430 CB ARG A 26 66.644 9.990 7.493 1.00 0.00 C ATOM 431 CG ARG A 26 66.103 8.583 7.308 1.00 0.00 C ATOM 432 CD ARG A 26 64.759 8.493 8.018 1.00 0.00 C ATOM 433 NE ARG A 26 64.878 7.326 8.936 1.00 0.00 N ATOM 434 CZ ARG A 26 65.318 7.496 10.152 1.00 0.00 C ATOM 435 NH1 ARG A 26 66.127 8.485 10.421 1.00 0.00 N ATOM 436 NH2 ARG A 26 64.944 6.682 11.102 1.00 0.00 N ATOM 0 H ARG A 26 65.372 9.742 5.427 1.00 0.00 H new ATOM 0 HA ARG A 26 67.470 11.590 6.262 1.00 0.00 H new ATOM 0 HB2 ARG A 26 67.423 9.987 8.256 1.00 0.00 H new ATOM 0 HB3 ARG A 26 65.850 10.645 7.851 1.00 0.00 H new ATOM 0 HG2 ARG A 26 65.989 8.356 6.248 1.00 0.00 H new ATOM 0 HG3 ARG A 26 66.799 7.851 7.718 1.00 0.00 H new ATOM 0 HD2 ARG A 26 64.544 9.408 8.570 1.00 0.00 H new ATOM 0 HD3 ARG A 26 63.946 8.352 7.306 1.00 0.00 H new ATOM 0 HE ARG A 26 64.616 6.394 8.614 1.00 0.00 H new ATOM 0 HH11 ARG A 26 66.415 9.124 9.680 1.00 0.00 H new ATOM 0 HH12 ARG A 26 66.471 8.618 11.372 1.00 0.00 H new ATOM 0 HH21 ARG A 26 64.308 5.913 10.893 1.00 0.00 H new ATOM 0 HH22 ARG A 26 65.288 6.815 12.053 1.00 0.00 H new ATOM 450 N LEU A 27 68.411 8.619 5.255 1.00 0.00 N ATOM 451 CA LEU A 27 69.650 7.873 4.889 1.00 0.00 C ATOM 452 C LEU A 27 70.217 8.391 3.573 1.00 0.00 C ATOM 453 O LEU A 27 71.412 8.398 3.357 1.00 0.00 O ATOM 454 CB LEU A 27 69.228 6.400 4.769 1.00 0.00 C ATOM 455 CG LEU A 27 68.707 6.088 3.361 1.00 0.00 C ATOM 456 CD1 LEU A 27 69.872 5.657 2.463 1.00 0.00 C ATOM 457 CD2 LEU A 27 67.692 4.945 3.440 1.00 0.00 C ATOM 0 H LEU A 27 67.535 8.140 5.045 1.00 0.00 H new ATOM 0 HA LEU A 27 70.435 8.000 5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 27 70.077 5.756 4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 27 68.454 6.179 5.504 1.00 0.00 H new ATOM 0 HG LEU A 27 68.235 6.979 2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 27 69.498 5.436 1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 27 70.605 6.462 2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 27 70.342 4.766 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 27 67.319 4.720 2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 27 68.173 4.060 3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 27 66.860 5.240 4.080 1.00 0.00 H new ATOM 469 N ALA A 28 69.365 8.807 2.686 1.00 0.00 N ATOM 470 CA ALA A 28 69.845 9.303 1.377 1.00 0.00 C ATOM 471 C ALA A 28 70.365 10.723 1.529 1.00 0.00 C ATOM 472 O ALA A 28 71.403 11.070 1.001 1.00 0.00 O ATOM 473 CB ALA A 28 68.620 9.237 0.469 1.00 0.00 C ATOM 0 H ALA A 28 68.353 8.824 2.813 1.00 0.00 H new ATOM 0 HA ALA A 28 70.669 8.719 0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 28 68.887 9.589 -0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 28 68.267 8.207 0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 28 67.830 9.868 0.877 1.00 0.00 H new ATOM 479 N MET A 29 69.685 11.543 2.273 1.00 0.00 N ATOM 480 CA MET A 29 70.201 12.918 2.468 1.00 0.00 C ATOM 481 C MET A 29 71.577 12.803 3.115 1.00 0.00 C ATOM 482 O MET A 29 72.438 13.644 2.946 1.00 0.00 O ATOM 483 CB MET A 29 69.205 13.607 3.404 1.00 0.00 C ATOM 484 CG MET A 29 69.201 12.907 4.764 1.00 0.00 C ATOM 485 SD MET A 29 70.266 13.815 5.914 1.00 0.00 S ATOM 486 CE MET A 29 69.202 13.671 7.370 1.00 0.00 C ATOM 0 H MET A 29 68.809 11.325 2.747 1.00 0.00 H new ATOM 0 HA MET A 29 70.300 13.485 1.542 1.00 0.00 H new ATOM 0 HB2 MET A 29 69.473 14.656 3.526 1.00 0.00 H new ATOM 0 HB3 MET A 29 68.206 13.582 2.969 1.00 0.00 H new ATOM 0 HG2 MET A 29 68.185 12.856 5.156 1.00 0.00 H new ATOM 0 HG3 MET A 29 69.554 11.881 4.658 1.00 0.00 H new ATOM 0 HE1 MET A 29 69.725 14.061 8.243 1.00 0.00 H new ATOM 0 HE2 MET A 29 68.287 14.242 7.210 1.00 0.00 H new ATOM 0 HE3 MET A 29 68.951 12.623 7.535 1.00 0.00 H new ATOM 496 N LYS A 30 71.786 11.739 3.844 1.00 0.00 N ATOM 497 CA LYS A 30 73.104 11.520 4.501 1.00 0.00 C ATOM 498 C LYS A 30 74.043 10.749 3.566 1.00 0.00 C ATOM 499 O LYS A 30 75.235 10.683 3.791 1.00 0.00 O ATOM 500 CB LYS A 30 72.791 10.693 5.748 1.00 0.00 C ATOM 501 CG LYS A 30 72.881 11.583 6.989 1.00 0.00 C ATOM 502 CD LYS A 30 71.773 11.202 7.973 1.00 0.00 C ATOM 503 CE LYS A 30 72.140 11.693 9.375 1.00 0.00 C ATOM 504 NZ LYS A 30 71.996 10.496 10.250 1.00 0.00 N ATOM 0 H LYS A 30 71.094 11.008 4.013 1.00 0.00 H new ATOM 0 HA LYS A 30 73.603 12.457 4.747 1.00 0.00 H new ATOM 0 HB2 LYS A 30 71.793 10.261 5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 30 73.492 9.863 5.832 1.00 0.00 H new ATOM 0 HG2 LYS A 30 73.857 11.468 7.462 1.00 0.00 H new ATOM 0 HG3 LYS A 30 72.785 12.631 6.705 1.00 0.00 H new ATOM 0 HD2 LYS A 30 70.827 11.642 7.659 1.00 0.00 H new ATOM 0 HD3 LYS A 30 71.635 10.121 7.980 1.00 0.00 H new ATOM 0 HE2 LYS A 30 73.157 12.083 9.403 1.00 0.00 H new ATOM 0 HE3 LYS A 30 71.481 12.499 9.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 72.231 10.752 11.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 71.016 10.151 10.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 72.641 9.748 9.924 1.00 0.00 H new ATOM 518 N TYR A 31 73.518 10.149 2.526 1.00 0.00 N ATOM 519 CA TYR A 31 74.403 9.374 1.600 1.00 0.00 C ATOM 520 C TYR A 31 74.503 10.047 0.241 1.00 0.00 C ATOM 521 O TYR A 31 75.048 9.502 -0.698 1.00 0.00 O ATOM 522 CB TYR A 31 73.758 8.001 1.474 1.00 0.00 C ATOM 523 CG TYR A 31 74.472 7.035 2.385 1.00 0.00 C ATOM 524 CD1 TYR A 31 75.869 7.050 2.462 1.00 0.00 C ATOM 525 CD2 TYR A 31 73.738 6.132 3.160 1.00 0.00 C ATOM 526 CE1 TYR A 31 76.533 6.160 3.313 1.00 0.00 C ATOM 527 CE2 TYR A 31 74.400 5.242 4.012 1.00 0.00 C ATOM 528 CZ TYR A 31 75.798 5.255 4.089 1.00 0.00 C ATOM 529 OH TYR A 31 76.450 4.376 4.930 1.00 0.00 O ATOM 0 H TYR A 31 72.528 10.161 2.280 1.00 0.00 H new ATOM 0 HA TYR A 31 75.421 9.311 1.984 1.00 0.00 H new ATOM 0 HB2 TYR A 31 72.702 8.056 1.738 1.00 0.00 H new ATOM 0 HB3 TYR A 31 73.811 7.654 0.442 1.00 0.00 H new ATOM 0 HD1 TYR A 31 76.435 7.749 1.864 1.00 0.00 H new ATOM 0 HD2 TYR A 31 72.660 6.122 3.101 1.00 0.00 H new ATOM 0 HE1 TYR A 31 77.611 6.171 3.371 1.00 0.00 H new ATOM 0 HE2 TYR A 31 73.833 4.545 4.611 1.00 0.00 H new ATOM 0 HH TYR A 31 75.791 3.819 5.396 1.00 0.00 H new ATOM 539 N HIS A 32 73.989 11.226 0.151 1.00 0.00 N ATOM 540 CA HIS A 32 74.043 12.013 -1.108 1.00 0.00 C ATOM 541 C HIS A 32 75.485 12.094 -1.634 1.00 0.00 C ATOM 542 O HIS A 32 76.272 11.223 -1.342 1.00 0.00 O ATOM 543 CB HIS A 32 73.490 13.347 -0.632 1.00 0.00 C ATOM 544 CG HIS A 32 74.543 14.039 0.200 1.00 0.00 C ATOM 545 ND1 HIS A 32 75.158 13.420 1.285 1.00 0.00 N ATOM 546 CD2 HIS A 32 75.094 15.289 0.126 1.00 0.00 C ATOM 547 CE1 HIS A 32 76.031 14.299 1.810 1.00 0.00 C ATOM 548 NE2 HIS A 32 76.033 15.454 1.141 1.00 0.00 N ATOM 0 H HIS A 32 73.516 11.699 0.921 1.00 0.00 H new ATOM 0 HA HIS A 32 73.489 11.601 -1.951 1.00 0.00 H new ATOM 0 HB2 HIS A 32 73.214 13.968 -1.485 1.00 0.00 H new ATOM 0 HB3 HIS A 32 72.585 13.193 -0.044 1.00 0.00 H new ATOM 0 HD2 HIS A 32 74.839 16.037 -0.610 1.00 0.00 H new ATOM 0 HE1 HIS A 32 76.654 14.095 2.668 1.00 0.00 H new ATOM 0 HE2 HIS A 32 76.600 16.280 1.332 1.00 0.00 H new ATOM 556 N PRO A 33 75.818 13.102 -2.413 1.00 0.00 N ATOM 557 CA PRO A 33 77.197 13.173 -2.951 1.00 0.00 C ATOM 558 C PRO A 33 78.215 13.389 -1.830 1.00 0.00 C ATOM 559 O PRO A 33 79.030 14.289 -1.865 1.00 0.00 O ATOM 560 CB PRO A 33 77.154 14.334 -3.937 1.00 0.00 C ATOM 561 CG PRO A 33 76.009 15.170 -3.486 1.00 0.00 C ATOM 562 CD PRO A 33 75.007 14.245 -2.861 1.00 0.00 C ATOM 0 HA PRO A 33 77.514 12.249 -3.436 1.00 0.00 H new ATOM 0 HB2 PRO A 33 78.086 14.899 -3.924 1.00 0.00 H new ATOM 0 HB3 PRO A 33 77.009 13.981 -4.958 1.00 0.00 H new ATOM 0 HG2 PRO A 33 76.340 15.921 -2.769 1.00 0.00 H new ATOM 0 HG3 PRO A 33 75.568 15.705 -4.327 1.00 0.00 H new ATOM 0 HD2 PRO A 33 74.489 14.720 -2.027 1.00 0.00 H new ATOM 0 HD3 PRO A 33 74.244 13.938 -3.577 1.00 0.00 H new ATOM 570 N ASP A 34 78.185 12.523 -0.857 1.00 0.00 N ATOM 571 CA ASP A 34 79.152 12.590 0.270 1.00 0.00 C ATOM 572 C ASP A 34 80.115 11.416 0.089 1.00 0.00 C ATOM 573 O ASP A 34 81.314 11.531 0.256 1.00 0.00 O ATOM 574 CB ASP A 34 78.289 12.449 1.545 1.00 0.00 C ATOM 575 CG ASP A 34 78.713 11.229 2.375 1.00 0.00 C ATOM 576 OD1 ASP A 34 79.578 11.385 3.221 1.00 0.00 O ATOM 577 OD2 ASP A 34 78.164 10.163 2.150 1.00 0.00 O ATOM 0 H ASP A 34 77.516 11.756 -0.796 1.00 0.00 H new ATOM 0 HA ASP A 34 79.739 13.507 0.323 1.00 0.00 H new ATOM 0 HB2 ASP A 34 78.380 13.352 2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 34 77.239 12.355 1.267 1.00 0.00 H new ATOM 582 N ARG A 35 79.569 10.289 -0.280 1.00 0.00 N ATOM 583 CA ARG A 35 80.391 9.078 -0.515 1.00 0.00 C ATOM 584 C ARG A 35 79.937 8.407 -1.815 1.00 0.00 C ATOM 585 O ARG A 35 80.702 7.728 -2.471 1.00 0.00 O ATOM 586 CB ARG A 35 80.108 8.169 0.681 1.00 0.00 C ATOM 587 CG ARG A 35 78.609 7.863 0.740 1.00 0.00 C ATOM 588 CD ARG A 35 78.271 6.779 -0.282 1.00 0.00 C ATOM 589 NE ARG A 35 77.789 5.621 0.519 1.00 0.00 N ATOM 590 CZ ARG A 35 78.642 4.736 0.960 1.00 0.00 C ATOM 591 NH1 ARG A 35 79.351 4.987 2.027 1.00 0.00 N ATOM 592 NH2 ARG A 35 78.793 3.603 0.329 1.00 0.00 N ATOM 0 H ARG A 35 78.568 10.159 -0.430 1.00 0.00 H new ATOM 0 HA ARG A 35 81.454 9.299 -0.610 1.00 0.00 H new ATOM 0 HB2 ARG A 35 80.677 7.243 0.592 1.00 0.00 H new ATOM 0 HB3 ARG A 35 80.429 8.652 1.604 1.00 0.00 H new ATOM 0 HG2 ARG A 35 78.333 7.533 1.741 1.00 0.00 H new ATOM 0 HG3 ARG A 35 78.034 8.766 0.533 1.00 0.00 H new ATOM 0 HD2 ARG A 35 77.506 7.121 -0.979 1.00 0.00 H new ATOM 0 HD3 ARG A 35 79.146 6.511 -0.875 1.00 0.00 H new ATOM 0 HE ARG A 35 76.795 5.519 0.723 1.00 0.00 H new ATOM 0 HH11 ARG A 35 79.239 5.875 2.517 1.00 0.00 H new ATOM 0 HH12 ARG A 35 80.017 4.295 2.371 1.00 0.00 H new ATOM 0 HH21 ARG A 35 78.245 3.409 -0.509 1.00 0.00 H new ATOM 0 HH22 ARG A 35 79.459 2.912 0.674 1.00 0.00 H new ATOM 606 N ASN A 36 78.687 8.579 -2.195 1.00 0.00 N ATOM 607 CA ASN A 36 78.201 7.937 -3.447 1.00 0.00 C ATOM 608 C ASN A 36 79.213 8.144 -4.570 1.00 0.00 C ATOM 609 O ASN A 36 79.264 7.390 -5.522 1.00 0.00 O ATOM 610 CB ASN A 36 76.898 8.660 -3.765 1.00 0.00 C ATOM 611 CG ASN A 36 75.716 7.717 -3.538 1.00 0.00 C ATOM 612 OD1 ASN A 36 75.379 6.928 -4.398 1.00 0.00 O ATOM 613 ND2 ASN A 36 75.068 7.764 -2.406 1.00 0.00 N ATOM 0 H ASN A 36 77.994 9.133 -1.691 1.00 0.00 H new ATOM 0 HA ASN A 36 78.062 6.861 -3.340 1.00 0.00 H new ATOM 0 HB2 ASN A 36 76.798 9.543 -3.134 1.00 0.00 H new ATOM 0 HB3 ASN A 36 76.906 9.006 -4.799 1.00 0.00 H new ATOM 0 HD21 ASN A 36 74.279 7.138 -2.244 1.00 0.00 H new ATOM 0 HD22 ASN A 36 75.351 8.426 -1.684 1.00 0.00 H new ATOM 620 N GLN A 37 80.010 9.168 -4.472 1.00 0.00 N ATOM 621 CA GLN A 37 81.012 9.437 -5.538 1.00 0.00 C ATOM 622 C GLN A 37 82.239 8.536 -5.365 1.00 0.00 C ATOM 623 O GLN A 37 83.139 8.537 -6.183 1.00 0.00 O ATOM 624 CB GLN A 37 81.403 10.907 -5.356 1.00 0.00 C ATOM 625 CG GLN A 37 80.161 11.741 -5.024 1.00 0.00 C ATOM 626 CD GLN A 37 80.222 13.070 -5.780 1.00 0.00 C ATOM 627 OE1 GLN A 37 80.148 14.125 -5.182 1.00 0.00 O ATOM 628 NE2 GLN A 37 80.353 13.063 -7.079 1.00 0.00 N ATOM 0 H GLN A 37 80.011 9.832 -3.698 1.00 0.00 H new ATOM 0 HA GLN A 37 80.611 9.237 -6.532 1.00 0.00 H new ATOM 0 HB2 GLN A 37 82.138 11.000 -4.557 1.00 0.00 H new ATOM 0 HB3 GLN A 37 81.871 11.283 -6.266 1.00 0.00 H new ATOM 0 HG2 GLN A 37 79.259 11.195 -5.299 1.00 0.00 H new ATOM 0 HG3 GLN A 37 80.108 11.923 -3.951 1.00 0.00 H new ATOM 0 HE21 GLN A 37 80.415 12.177 -7.581 1.00 0.00 H new ATOM 0 HE22 GLN A 37 80.393 13.944 -7.592 1.00 0.00 H new ATOM 637 N GLY A 38 82.288 7.769 -4.309 1.00 0.00 N ATOM 638 CA GLY A 38 83.467 6.879 -4.097 1.00 0.00 C ATOM 639 C GLY A 38 82.999 5.443 -3.865 1.00 0.00 C ATOM 640 O GLY A 38 83.668 4.661 -3.220 1.00 0.00 O ATOM 0 H GLY A 38 81.568 7.720 -3.588 1.00 0.00 H new ATOM 0 HA2 GLY A 38 84.126 6.920 -4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 38 84.046 7.225 -3.241 1.00 0.00 H new ATOM 644 N ASP A 39 81.857 5.089 -4.385 1.00 0.00 N ATOM 645 CA ASP A 39 81.348 3.701 -4.193 1.00 0.00 C ATOM 646 C ASP A 39 80.025 3.514 -4.938 1.00 0.00 C ATOM 647 O ASP A 39 78.973 3.879 -4.450 1.00 0.00 O ATOM 648 CB ASP A 39 81.135 3.561 -2.684 1.00 0.00 C ATOM 649 CG ASP A 39 82.316 2.808 -2.066 1.00 0.00 C ATOM 650 OD1 ASP A 39 82.998 2.113 -2.800 1.00 0.00 O ATOM 651 OD2 ASP A 39 82.517 2.941 -0.871 1.00 0.00 O ATOM 0 H ASP A 39 81.253 5.700 -4.935 1.00 0.00 H new ATOM 0 HA ASP A 39 82.040 2.952 -4.579 1.00 0.00 H new ATOM 0 HB2 ASP A 39 81.040 4.546 -2.227 1.00 0.00 H new ATOM 0 HB3 ASP A 39 80.206 3.026 -2.486 1.00 0.00 H new ATOM 656 N LYS A 40 80.061 2.941 -6.110 1.00 0.00 N ATOM 657 CA LYS A 40 78.795 2.732 -6.867 1.00 0.00 C ATOM 658 C LYS A 40 78.174 1.414 -6.438 1.00 0.00 C ATOM 659 O LYS A 40 76.973 1.264 -6.370 1.00 0.00 O ATOM 660 CB LYS A 40 79.197 2.701 -8.343 1.00 0.00 C ATOM 661 CG LYS A 40 79.122 4.114 -8.928 1.00 0.00 C ATOM 662 CD LYS A 40 80.498 4.521 -9.460 1.00 0.00 C ATOM 663 CE LYS A 40 80.332 5.354 -10.734 1.00 0.00 C ATOM 664 NZ LYS A 40 80.739 6.734 -10.349 1.00 0.00 N ATOM 0 H LYS A 40 80.907 2.610 -6.574 1.00 0.00 H new ATOM 0 HA LYS A 40 78.059 3.515 -6.685 1.00 0.00 H new ATOM 0 HB2 LYS A 40 80.208 2.307 -8.446 1.00 0.00 H new ATOM 0 HB3 LYS A 40 78.537 2.033 -8.896 1.00 0.00 H new ATOM 0 HG2 LYS A 40 78.386 4.148 -9.731 1.00 0.00 H new ATOM 0 HG3 LYS A 40 78.793 4.818 -8.164 1.00 0.00 H new ATOM 0 HD2 LYS A 40 81.035 5.096 -8.705 1.00 0.00 H new ATOM 0 HD3 LYS A 40 81.095 3.633 -9.669 1.00 0.00 H new ATOM 0 HE2 LYS A 40 80.956 4.969 -11.541 1.00 0.00 H new ATOM 0 HE3 LYS A 40 79.302 5.331 -11.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 80.652 7.364 -11.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 80.124 7.077 -9.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 81.726 6.726 -10.022 1.00 0.00 H new ATOM 678 N GLU A 41 78.999 0.475 -6.120 1.00 0.00 N ATOM 679 CA GLU A 41 78.506 -0.841 -5.644 1.00 0.00 C ATOM 680 C GLU A 41 77.329 -0.634 -4.686 1.00 0.00 C ATOM 681 O GLU A 41 76.416 -1.435 -4.618 1.00 0.00 O ATOM 682 CB GLU A 41 79.701 -1.418 -4.888 1.00 0.00 C ATOM 683 CG GLU A 41 80.323 -0.311 -4.022 1.00 0.00 C ATOM 684 CD GLU A 41 81.316 -0.927 -3.035 1.00 0.00 C ATOM 685 OE1 GLU A 41 81.272 -2.131 -2.854 1.00 0.00 O ATOM 686 OE2 GLU A 41 82.104 -0.181 -2.476 1.00 0.00 O ATOM 0 H GLU A 41 80.014 0.560 -6.169 1.00 0.00 H new ATOM 0 HA GLU A 41 78.158 -1.489 -6.448 1.00 0.00 H new ATOM 0 HB2 GLU A 41 79.384 -2.253 -4.263 1.00 0.00 H new ATOM 0 HB3 GLU A 41 80.439 -1.807 -5.590 1.00 0.00 H new ATOM 0 HG2 GLU A 41 80.829 0.418 -4.655 1.00 0.00 H new ATOM 0 HG3 GLU A 41 79.542 0.224 -3.481 1.00 0.00 H new ATOM 693 N ALA A 42 77.348 0.443 -3.944 1.00 0.00 N ATOM 694 CA ALA A 42 76.238 0.715 -2.986 1.00 0.00 C ATOM 695 C ALA A 42 75.127 1.496 -3.683 1.00 0.00 C ATOM 696 O ALA A 42 73.989 1.489 -3.258 1.00 0.00 O ATOM 697 CB ALA A 42 76.867 1.551 -1.872 1.00 0.00 C ATOM 0 H ALA A 42 78.086 1.146 -3.961 1.00 0.00 H new ATOM 0 HA ALA A 42 75.791 -0.201 -2.599 1.00 0.00 H new ATOM 0 HB1 ALA A 42 76.110 1.792 -1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 42 77.672 0.985 -1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 42 77.269 2.473 -2.292 1.00 0.00 H new ATOM 703 N GLU A 43 75.452 2.168 -4.755 1.00 0.00 N ATOM 704 CA GLU A 43 74.415 2.949 -5.489 1.00 0.00 C ATOM 705 C GLU A 43 73.123 2.168 -5.546 1.00 0.00 C ATOM 706 O GLU A 43 72.041 2.717 -5.494 1.00 0.00 O ATOM 707 CB GLU A 43 74.928 3.085 -6.911 1.00 0.00 C ATOM 708 CG GLU A 43 74.115 4.158 -7.636 1.00 0.00 C ATOM 709 CD GLU A 43 75.062 5.129 -8.342 1.00 0.00 C ATOM 710 OE1 GLU A 43 76.210 4.765 -8.541 1.00 0.00 O ATOM 711 OE2 GLU A 43 74.624 6.218 -8.673 1.00 0.00 O ATOM 0 H GLU A 43 76.390 2.210 -5.154 1.00 0.00 H new ATOM 0 HA GLU A 43 74.235 3.908 -5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 43 75.984 3.353 -6.906 1.00 0.00 H new ATOM 0 HB3 GLU A 43 74.844 2.132 -7.434 1.00 0.00 H new ATOM 0 HG2 GLU A 43 73.447 3.694 -8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 43 73.489 4.697 -6.925 1.00 0.00 H new ATOM 718 N ALA A 44 73.225 0.889 -5.701 1.00 0.00 N ATOM 719 CA ALA A 44 71.996 0.091 -5.807 1.00 0.00 C ATOM 720 C ALA A 44 71.206 0.176 -4.509 1.00 0.00 C ATOM 721 O ALA A 44 70.105 0.686 -4.482 1.00 0.00 O ATOM 722 CB ALA A 44 72.451 -1.341 -6.089 1.00 0.00 C ATOM 0 H ALA A 44 74.100 0.367 -5.758 1.00 0.00 H new ATOM 0 HA ALA A 44 71.339 0.452 -6.598 1.00 0.00 H new ATOM 0 HB1 ALA A 44 71.579 -1.989 -6.179 1.00 0.00 H new ATOM 0 HB2 ALA A 44 73.019 -1.366 -7.019 1.00 0.00 H new ATOM 0 HB3 ALA A 44 73.080 -1.691 -5.270 1.00 0.00 H new ATOM 728 N LYS A 45 71.754 -0.301 -3.430 1.00 0.00 N ATOM 729 CA LYS A 45 71.009 -0.210 -2.151 1.00 0.00 C ATOM 730 C LYS A 45 70.470 1.210 -1.997 1.00 0.00 C ATOM 731 O LYS A 45 69.437 1.428 -1.402 1.00 0.00 O ATOM 732 CB LYS A 45 72.024 -0.522 -1.054 1.00 0.00 C ATOM 733 CG LYS A 45 71.367 -0.299 0.310 1.00 0.00 C ATOM 734 CD LYS A 45 72.280 -0.841 1.412 1.00 0.00 C ATOM 735 CE LYS A 45 71.622 -2.057 2.068 1.00 0.00 C ATOM 736 NZ LYS A 45 72.202 -3.237 1.367 1.00 0.00 N ATOM 0 H LYS A 45 72.672 -0.743 -3.379 1.00 0.00 H new ATOM 0 HA LYS A 45 70.165 -0.899 -2.106 1.00 0.00 H new ATOM 0 HB2 LYS A 45 72.369 -1.552 -1.142 1.00 0.00 H new ATOM 0 HB3 LYS A 45 72.900 0.118 -1.159 1.00 0.00 H new ATOM 0 HG2 LYS A 45 71.182 0.764 0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 45 70.400 -0.800 0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 45 73.247 -1.119 0.993 1.00 0.00 H new ATOM 0 HD3 LYS A 45 72.466 -0.068 2.158 1.00 0.00 H new ATOM 0 HE2 LYS A 45 71.833 -2.091 3.137 1.00 0.00 H new ATOM 0 HE3 LYS A 45 70.538 -2.026 1.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 71.798 -4.109 1.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 71.980 -3.182 0.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 73.234 -3.244 1.495 1.00 0.00 H new ATOM 750 N PHE A 46 71.167 2.176 -2.539 1.00 0.00 N ATOM 751 CA PHE A 46 70.697 3.588 -2.431 1.00 0.00 C ATOM 752 C PHE A 46 69.408 3.780 -3.223 1.00 0.00 C ATOM 753 O PHE A 46 68.451 4.345 -2.730 1.00 0.00 O ATOM 754 CB PHE A 46 71.815 4.446 -3.025 1.00 0.00 C ATOM 755 CG PHE A 46 73.105 4.209 -2.279 1.00 0.00 C ATOM 756 CD1 PHE A 46 73.103 3.505 -1.068 1.00 0.00 C ATOM 757 CD2 PHE A 46 74.304 4.706 -2.798 1.00 0.00 C ATOM 758 CE1 PHE A 46 74.303 3.298 -0.378 1.00 0.00 C ATOM 759 CE2 PHE A 46 75.504 4.501 -2.107 1.00 0.00 C ATOM 760 CZ PHE A 46 75.503 3.797 -0.898 1.00 0.00 C ATOM 0 H PHE A 46 72.040 2.047 -3.051 1.00 0.00 H new ATOM 0 HA PHE A 46 70.485 3.862 -1.397 1.00 0.00 H new ATOM 0 HB2 PHE A 46 71.947 4.205 -4.080 1.00 0.00 H new ATOM 0 HB3 PHE A 46 71.543 5.500 -2.970 1.00 0.00 H new ATOM 0 HD1 PHE A 46 72.176 3.122 -0.667 1.00 0.00 H new ATOM 0 HD2 PHE A 46 74.305 5.248 -3.732 1.00 0.00 H new ATOM 0 HE1 PHE A 46 74.303 2.754 0.555 1.00 0.00 H new ATOM 0 HE2 PHE A 46 76.430 4.886 -2.507 1.00 0.00 H new ATOM 0 HZ PHE A 46 76.429 3.638 -0.365 1.00 0.00 H new ATOM 770 N LYS A 47 69.355 3.315 -4.440 1.00 0.00 N ATOM 771 CA LYS A 47 68.098 3.487 -5.211 1.00 0.00 C ATOM 772 C LYS A 47 67.173 2.314 -4.895 1.00 0.00 C ATOM 773 O LYS A 47 65.968 2.409 -4.989 1.00 0.00 O ATOM 774 CB LYS A 47 68.526 3.540 -6.688 1.00 0.00 C ATOM 775 CG LYS A 47 68.213 2.223 -7.399 1.00 0.00 C ATOM 776 CD LYS A 47 69.171 1.141 -6.913 1.00 0.00 C ATOM 777 CE LYS A 47 69.688 0.356 -8.122 1.00 0.00 C ATOM 778 NZ LYS A 47 68.467 -0.005 -8.895 1.00 0.00 N ATOM 0 H LYS A 47 70.112 2.833 -4.924 1.00 0.00 H new ATOM 0 HA LYS A 47 67.545 4.393 -4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 47 68.011 4.359 -7.190 1.00 0.00 H new ATOM 0 HB3 LYS A 47 69.594 3.747 -6.753 1.00 0.00 H new ATOM 0 HG2 LYS A 47 67.183 1.927 -7.201 1.00 0.00 H new ATOM 0 HG3 LYS A 47 68.307 2.349 -8.478 1.00 0.00 H new ATOM 0 HD2 LYS A 47 70.003 1.590 -6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 47 68.663 0.472 -6.219 1.00 0.00 H new ATOM 0 HE2 LYS A 47 70.371 0.958 -8.721 1.00 0.00 H new ATOM 0 HE3 LYS A 47 70.236 -0.533 -7.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 68.601 -0.934 -9.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 67.649 -0.044 -8.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 68.297 0.711 -9.630 1.00 0.00 H new ATOM 792 N GLU A 48 67.737 1.216 -4.480 1.00 0.00 N ATOM 793 CA GLU A 48 66.901 0.049 -4.112 1.00 0.00 C ATOM 794 C GLU A 48 65.863 0.549 -3.133 1.00 0.00 C ATOM 795 O GLU A 48 64.727 0.119 -3.103 1.00 0.00 O ATOM 796 CB GLU A 48 67.859 -0.916 -3.419 1.00 0.00 C ATOM 797 CG GLU A 48 68.551 -1.788 -4.462 1.00 0.00 C ATOM 798 CD GLU A 48 67.642 -2.961 -4.832 1.00 0.00 C ATOM 799 OE1 GLU A 48 66.582 -3.075 -4.237 1.00 0.00 O ATOM 800 OE2 GLU A 48 68.021 -3.727 -5.703 1.00 0.00 O ATOM 0 H GLU A 48 68.743 1.079 -4.381 1.00 0.00 H new ATOM 0 HA GLU A 48 66.402 -0.431 -4.954 1.00 0.00 H new ATOM 0 HB2 GLU A 48 68.601 -0.359 -2.846 1.00 0.00 H new ATOM 0 HB3 GLU A 48 67.313 -1.541 -2.712 1.00 0.00 H new ATOM 0 HG2 GLU A 48 68.781 -1.198 -5.350 1.00 0.00 H new ATOM 0 HG3 GLU A 48 69.499 -2.158 -4.071 1.00 0.00 H new ATOM 807 N ILE A 49 66.277 1.492 -2.348 1.00 0.00 N ATOM 808 CA ILE A 49 65.369 2.105 -1.349 1.00 0.00 C ATOM 809 C ILE A 49 64.245 2.824 -2.075 1.00 0.00 C ATOM 810 O ILE A 49 63.086 2.720 -1.727 1.00 0.00 O ATOM 811 CB ILE A 49 66.244 3.109 -0.616 1.00 0.00 C ATOM 812 CG1 ILE A 49 67.357 2.359 0.102 1.00 0.00 C ATOM 813 CG2 ILE A 49 65.406 3.887 0.391 1.00 0.00 C ATOM 814 CD1 ILE A 49 68.607 3.237 0.177 1.00 0.00 C ATOM 0 H ILE A 49 67.223 1.872 -2.355 1.00 0.00 H new ATOM 0 HA ILE A 49 64.917 1.378 -0.674 1.00 0.00 H new ATOM 0 HB ILE A 49 66.676 3.812 -1.328 1.00 0.00 H new ATOM 0 HG12 ILE A 49 67.034 2.084 1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 49 67.583 1.432 -0.426 1.00 0.00 H new ATOM 0 HG21 ILE A 49 66.038 4.605 0.913 1.00 0.00 H new ATOM 0 HG22 ILE A 49 64.610 4.417 -0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 49 64.970 3.196 1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 49 69.401 2.696 0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 49 68.935 3.490 -0.831 1.00 0.00 H new ATOM 0 HD13 ILE A 49 68.377 4.151 0.724 1.00 0.00 H new ATOM 826 N LYS A 50 64.595 3.549 -3.095 1.00 0.00 N ATOM 827 CA LYS A 50 63.556 4.279 -3.872 1.00 0.00 C ATOM 828 C LYS A 50 62.564 3.267 -4.451 1.00 0.00 C ATOM 829 O LYS A 50 61.403 3.558 -4.655 1.00 0.00 O ATOM 830 CB LYS A 50 64.326 5.030 -4.976 1.00 0.00 C ATOM 831 CG LYS A 50 64.335 4.224 -6.282 1.00 0.00 C ATOM 832 CD LYS A 50 65.555 4.617 -7.117 1.00 0.00 C ATOM 833 CE LYS A 50 65.155 5.705 -8.115 1.00 0.00 C ATOM 834 NZ LYS A 50 65.547 6.985 -7.466 1.00 0.00 N ATOM 0 H LYS A 50 65.552 3.669 -3.426 1.00 0.00 H new ATOM 0 HA LYS A 50 62.977 4.979 -3.269 1.00 0.00 H new ATOM 0 HB2 LYS A 50 63.866 6.003 -5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 50 65.350 5.214 -4.650 1.00 0.00 H new ATOM 0 HG2 LYS A 50 64.360 3.157 -6.063 1.00 0.00 H new ATOM 0 HG3 LYS A 50 63.420 4.413 -6.844 1.00 0.00 H new ATOM 0 HD2 LYS A 50 66.353 4.978 -6.468 1.00 0.00 H new ATOM 0 HD3 LYS A 50 65.943 3.747 -7.646 1.00 0.00 H new ATOM 0 HE2 LYS A 50 65.666 5.573 -9.069 1.00 0.00 H new ATOM 0 HE3 LYS A 50 64.085 5.678 -8.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 65.367 7.775 -8.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 64.990 7.119 -6.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 66.559 6.958 -7.227 1.00 0.00 H new ATOM 848 N GLU A 51 63.025 2.071 -4.703 1.00 0.00 N ATOM 849 CA GLU A 51 62.125 1.021 -5.256 1.00 0.00 C ATOM 850 C GLU A 51 61.137 0.572 -4.179 1.00 0.00 C ATOM 851 O GLU A 51 59.997 0.262 -4.462 1.00 0.00 O ATOM 852 CB GLU A 51 63.056 -0.124 -5.644 1.00 0.00 C ATOM 853 CG GLU A 51 62.254 -1.223 -6.341 1.00 0.00 C ATOM 854 CD GLU A 51 63.178 -2.029 -7.253 1.00 0.00 C ATOM 855 OE1 GLU A 51 64.314 -2.250 -6.866 1.00 0.00 O ATOM 856 OE2 GLU A 51 62.736 -2.411 -8.324 1.00 0.00 O ATOM 0 H GLU A 51 63.989 1.776 -4.549 1.00 0.00 H new ATOM 0 HA GLU A 51 61.538 1.371 -6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 51 63.842 0.241 -6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 51 63.546 -0.524 -4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 51 61.795 -1.878 -5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 51 61.444 -0.783 -6.923 1.00 0.00 H new ATOM 863 N ALA A 52 61.570 0.547 -2.943 1.00 0.00 N ATOM 864 CA ALA A 52 60.663 0.136 -1.832 1.00 0.00 C ATOM 865 C ALA A 52 59.264 0.701 -2.075 1.00 0.00 C ATOM 866 O ALA A 52 58.265 0.050 -1.844 1.00 0.00 O ATOM 867 CB ALA A 52 61.286 0.757 -0.581 1.00 0.00 C ATOM 0 H ALA A 52 62.517 0.795 -2.657 1.00 0.00 H new ATOM 0 HA ALA A 52 60.560 -0.946 -1.744 1.00 0.00 H new ATOM 0 HB1 ALA A 52 60.681 0.505 0.290 1.00 0.00 H new ATOM 0 HB2 ALA A 52 62.296 0.369 -0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 52 61.326 1.840 -0.694 1.00 0.00 H new ATOM 873 N TYR A 53 59.193 1.908 -2.557 1.00 0.00 N ATOM 874 CA TYR A 53 57.870 2.527 -2.832 1.00 0.00 C ATOM 875 C TYR A 53 57.047 1.624 -3.744 1.00 0.00 C ATOM 876 O TYR A 53 55.849 1.497 -3.593 1.00 0.00 O ATOM 877 CB TYR A 53 58.206 3.846 -3.523 1.00 0.00 C ATOM 878 CG TYR A 53 59.159 4.628 -2.653 1.00 0.00 C ATOM 879 CD1 TYR A 53 59.340 4.273 -1.309 1.00 0.00 C ATOM 880 CD2 TYR A 53 59.868 5.703 -3.192 1.00 0.00 C ATOM 881 CE1 TYR A 53 60.229 4.988 -0.508 1.00 0.00 C ATOM 882 CE2 TYR A 53 60.756 6.422 -2.390 1.00 0.00 C ATOM 883 CZ TYR A 53 60.940 6.066 -1.047 1.00 0.00 C ATOM 884 OH TYR A 53 61.826 6.774 -0.262 1.00 0.00 O ATOM 0 H TYR A 53 59.999 2.495 -2.773 1.00 0.00 H new ATOM 0 HA TYR A 53 57.276 2.678 -1.931 1.00 0.00 H new ATOM 0 HB2 TYR A 53 58.655 3.656 -4.498 1.00 0.00 H new ATOM 0 HB3 TYR A 53 57.297 4.422 -3.698 1.00 0.00 H new ATOM 0 HD1 TYR A 53 58.789 3.443 -0.893 1.00 0.00 H new ATOM 0 HD2 TYR A 53 59.730 5.978 -4.227 1.00 0.00 H new ATOM 0 HE1 TYR A 53 60.369 4.711 0.526 1.00 0.00 H new ATOM 0 HE2 TYR A 53 61.303 7.255 -2.806 1.00 0.00 H new ATOM 0 HH TYR A 53 61.934 6.321 0.600 1.00 0.00 H new ATOM 894 N GLU A 54 57.680 0.960 -4.665 1.00 0.00 N ATOM 895 CA GLU A 54 56.912 0.044 -5.550 1.00 0.00 C ATOM 896 C GLU A 54 56.291 -1.028 -4.678 1.00 0.00 C ATOM 897 O GLU A 54 55.404 -1.750 -5.088 1.00 0.00 O ATOM 898 CB GLU A 54 57.922 -0.586 -6.512 1.00 0.00 C ATOM 899 CG GLU A 54 58.939 0.458 -6.957 1.00 0.00 C ATOM 900 CD GLU A 54 58.994 0.501 -8.485 1.00 0.00 C ATOM 901 OE1 GLU A 54 59.177 -0.546 -9.081 1.00 0.00 O ATOM 902 OE2 GLU A 54 58.849 1.582 -9.033 1.00 0.00 O ATOM 0 H GLU A 54 58.683 1.009 -4.843 1.00 0.00 H new ATOM 0 HA GLU A 54 56.128 0.559 -6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 54 58.431 -1.417 -6.024 1.00 0.00 H new ATOM 0 HB3 GLU A 54 57.404 -0.994 -7.380 1.00 0.00 H new ATOM 0 HG2 GLU A 54 58.665 1.438 -6.565 1.00 0.00 H new ATOM 0 HG3 GLU A 54 59.923 0.217 -6.554 1.00 0.00 H new ATOM 909 N VAL A 55 56.771 -1.145 -3.472 1.00 0.00 N ATOM 910 CA VAL A 55 56.226 -2.175 -2.579 1.00 0.00 C ATOM 911 C VAL A 55 55.251 -1.543 -1.573 1.00 0.00 C ATOM 912 O VAL A 55 54.104 -1.930 -1.471 1.00 0.00 O ATOM 913 CB VAL A 55 57.465 -2.780 -1.889 1.00 0.00 C ATOM 914 CG1 VAL A 55 57.367 -2.658 -0.364 1.00 0.00 C ATOM 915 CG2 VAL A 55 57.594 -4.255 -2.266 1.00 0.00 C ATOM 0 H VAL A 55 57.514 -0.569 -3.077 1.00 0.00 H new ATOM 0 HA VAL A 55 55.652 -2.940 -3.103 1.00 0.00 H new ATOM 0 HB VAL A 55 58.342 -2.227 -2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 55 58.255 -3.093 0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 55 57.295 -1.606 -0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 55 56.481 -3.187 -0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 55 58.470 -4.680 -1.777 1.00 0.00 H new ATOM 0 HG22 VAL A 55 56.702 -4.792 -1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 55 57.702 -4.346 -3.347 1.00 0.00 H new ATOM 925 N LEU A 56 55.718 -0.594 -0.810 1.00 0.00 N ATOM 926 CA LEU A 56 54.838 0.045 0.221 1.00 0.00 C ATOM 927 C LEU A 56 53.906 1.105 -0.377 1.00 0.00 C ATOM 928 O LEU A 56 52.803 1.292 0.096 1.00 0.00 O ATOM 929 CB LEU A 56 55.795 0.688 1.215 1.00 0.00 C ATOM 930 CG LEU A 56 56.806 1.542 0.460 1.00 0.00 C ATOM 931 CD1 LEU A 56 56.676 2.993 0.913 1.00 0.00 C ATOM 932 CD2 LEU A 56 58.212 1.020 0.755 1.00 0.00 C ATOM 0 H LEU A 56 56.670 -0.230 -0.852 1.00 0.00 H new ATOM 0 HA LEU A 56 54.183 -0.696 0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 56 55.241 1.302 1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 56 56.310 -0.081 1.791 1.00 0.00 H new ATOM 0 HG LEU A 56 56.620 1.489 -0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 56 57.398 3.608 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 56 55.668 3.350 0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 56 56.870 3.059 1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 56 58.944 1.624 0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 56 58.405 1.080 1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 56 58.290 -0.018 0.430 1.00 0.00 H new ATOM 944 N THR A 57 54.310 1.799 -1.409 1.00 0.00 N ATOM 945 CA THR A 57 53.389 2.822 -1.987 1.00 0.00 C ATOM 946 C THR A 57 52.502 2.152 -3.039 1.00 0.00 C ATOM 947 O THR A 57 51.889 2.799 -3.865 1.00 0.00 O ATOM 948 CB THR A 57 54.277 3.916 -2.608 1.00 0.00 C ATOM 949 OG1 THR A 57 54.782 3.477 -3.860 1.00 0.00 O ATOM 950 CG2 THR A 57 55.444 4.249 -1.666 1.00 0.00 C ATOM 0 H THR A 57 55.216 1.706 -1.868 1.00 0.00 H new ATOM 0 HA THR A 57 52.733 3.262 -1.236 1.00 0.00 H new ATOM 0 HB THR A 57 53.676 4.813 -2.758 1.00 0.00 H new ATOM 0 HG1 THR A 57 54.983 2.519 -3.814 1.00 0.00 H new ATOM 0 HG21 THR A 57 56.065 5.024 -2.116 1.00 0.00 H new ATOM 0 HG22 THR A 57 55.052 4.605 -0.713 1.00 0.00 H new ATOM 0 HG23 THR A 57 56.044 3.354 -1.500 1.00 0.00 H new ATOM 958 N ASP A 58 52.417 0.846 -2.986 1.00 0.00 N ATOM 959 CA ASP A 58 51.564 0.093 -3.943 1.00 0.00 C ATOM 960 C ASP A 58 50.832 -0.995 -3.191 1.00 0.00 C ATOM 961 O ASP A 58 51.424 -1.918 -2.668 1.00 0.00 O ATOM 962 CB ASP A 58 52.525 -0.501 -4.969 1.00 0.00 C ATOM 963 CG ASP A 58 52.193 0.044 -6.360 1.00 0.00 C ATOM 964 OD1 ASP A 58 51.313 0.883 -6.452 1.00 0.00 O ATOM 965 OD2 ASP A 58 52.830 -0.384 -7.310 1.00 0.00 O ATOM 0 H ASP A 58 52.912 0.266 -2.309 1.00 0.00 H new ATOM 0 HA ASP A 58 50.817 0.719 -4.430 1.00 0.00 H new ATOM 0 HB2 ASP A 58 53.553 -0.252 -4.706 1.00 0.00 H new ATOM 0 HB3 ASP A 58 52.449 -1.588 -4.966 1.00 0.00 H new ATOM 970 N SER A 59 49.547 -0.869 -3.109 1.00 0.00 N ATOM 971 CA SER A 59 48.756 -1.862 -2.359 1.00 0.00 C ATOM 972 C SER A 59 49.137 -3.293 -2.743 1.00 0.00 C ATOM 973 O SER A 59 48.876 -4.228 -2.015 1.00 0.00 O ATOM 974 CB SER A 59 47.302 -1.571 -2.716 1.00 0.00 C ATOM 975 OG SER A 59 47.020 -0.203 -2.451 1.00 0.00 O ATOM 0 H SER A 59 49.008 -0.114 -3.533 1.00 0.00 H new ATOM 0 HA SER A 59 48.937 -1.785 -1.287 1.00 0.00 H new ATOM 0 HB2 SER A 59 47.121 -1.795 -3.767 1.00 0.00 H new ATOM 0 HB3 SER A 59 46.637 -2.211 -2.135 1.00 0.00 H new ATOM 0 HG SER A 59 46.087 -0.011 -2.681 1.00 0.00 H new ATOM 981 N GLN A 60 49.744 -3.478 -3.879 1.00 0.00 N ATOM 982 CA GLN A 60 50.126 -4.855 -4.296 1.00 0.00 C ATOM 983 C GLN A 60 51.095 -5.483 -3.284 1.00 0.00 C ATOM 984 O GLN A 60 50.818 -6.513 -2.702 1.00 0.00 O ATOM 985 CB GLN A 60 50.811 -4.676 -5.652 1.00 0.00 C ATOM 986 CG GLN A 60 49.751 -4.491 -6.740 1.00 0.00 C ATOM 987 CD GLN A 60 49.613 -3.007 -7.070 1.00 0.00 C ATOM 988 OE1 GLN A 60 48.518 -2.482 -7.132 1.00 0.00 O ATOM 989 NE2 GLN A 60 50.687 -2.304 -7.287 1.00 0.00 N ATOM 0 H GLN A 60 49.992 -2.738 -4.536 1.00 0.00 H new ATOM 0 HA GLN A 60 49.263 -5.519 -4.351 1.00 0.00 H new ATOM 0 HB2 GLN A 60 51.474 -3.811 -5.625 1.00 0.00 H new ATOM 0 HB3 GLN A 60 51.430 -5.545 -5.876 1.00 0.00 H new ATOM 0 HG2 GLN A 60 50.031 -5.049 -7.634 1.00 0.00 H new ATOM 0 HG3 GLN A 60 48.794 -4.890 -6.402 1.00 0.00 H new ATOM 0 HE21 GLN A 60 51.605 -2.746 -7.235 1.00 0.00 H new ATOM 0 HE22 GLN A 60 50.611 -1.311 -7.509 1.00 0.00 H new ATOM 998 N LYS A 61 52.237 -4.882 -3.091 1.00 0.00 N ATOM 999 CA LYS A 61 53.241 -5.452 -2.137 1.00 0.00 C ATOM 1000 C LYS A 61 52.902 -5.118 -0.680 1.00 0.00 C ATOM 1001 O LYS A 61 52.872 -5.987 0.168 1.00 0.00 O ATOM 1002 CB LYS A 61 54.581 -4.824 -2.520 1.00 0.00 C ATOM 1003 CG LYS A 61 54.681 -4.645 -4.041 1.00 0.00 C ATOM 1004 CD LYS A 61 54.243 -5.927 -4.757 1.00 0.00 C ATOM 1005 CE LYS A 61 54.997 -7.124 -4.175 1.00 0.00 C ATOM 1006 NZ LYS A 61 54.343 -8.320 -4.778 1.00 0.00 N ATOM 0 H LYS A 61 52.522 -4.018 -3.552 1.00 0.00 H new ATOM 0 HA LYS A 61 53.257 -6.540 -2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 61 54.690 -3.858 -2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 61 55.398 -5.455 -2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 61 54.055 -3.811 -4.358 1.00 0.00 H new ATOM 0 HG3 LYS A 61 55.706 -4.397 -4.318 1.00 0.00 H new ATOM 0 HD2 LYS A 61 53.169 -6.071 -4.642 1.00 0.00 H new ATOM 0 HD3 LYS A 61 54.441 -5.844 -5.826 1.00 0.00 H new ATOM 0 HE2 LYS A 61 56.057 -7.084 -4.427 1.00 0.00 H new ATOM 0 HE3 LYS A 61 54.929 -7.143 -3.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 54.805 -9.183 -4.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 53.337 -8.335 -4.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 54.430 -8.278 -5.814 1.00 0.00 H new ATOM 1020 N ARG A 62 52.674 -3.868 -0.370 1.00 0.00 N ATOM 1021 CA ARG A 62 52.370 -3.508 1.047 1.00 0.00 C ATOM 1022 C ARG A 62 51.295 -4.436 1.608 1.00 0.00 C ATOM 1023 O ARG A 62 51.243 -4.696 2.795 1.00 0.00 O ATOM 1024 CB ARG A 62 51.872 -2.065 0.999 1.00 0.00 C ATOM 1025 CG ARG A 62 50.514 -2.019 0.303 1.00 0.00 C ATOM 1026 CD ARG A 62 49.804 -0.709 0.647 1.00 0.00 C ATOM 1027 NE ARG A 62 49.778 -0.668 2.135 1.00 0.00 N ATOM 1028 CZ ARG A 62 49.465 0.438 2.749 1.00 0.00 C ATOM 1029 NH1 ARG A 62 50.233 1.487 2.633 1.00 0.00 N ATOM 1030 NH2 ARG A 62 48.384 0.495 3.479 1.00 0.00 N ATOM 0 H ARG A 62 52.685 -3.089 -1.028 1.00 0.00 H new ATOM 0 HA ARG A 62 53.242 -3.609 1.693 1.00 0.00 H new ATOM 0 HB2 ARG A 62 51.789 -1.664 2.009 1.00 0.00 H new ATOM 0 HB3 ARG A 62 52.588 -1.439 0.465 1.00 0.00 H new ATOM 0 HG2 ARG A 62 50.644 -2.101 -0.776 1.00 0.00 H new ATOM 0 HG3 ARG A 62 49.905 -2.867 0.616 1.00 0.00 H new ATOM 0 HD2 ARG A 62 50.337 0.149 0.237 1.00 0.00 H new ATOM 0 HD3 ARG A 62 48.796 -0.685 0.233 1.00 0.00 H new ATOM 0 HE ARG A 62 50.005 -1.504 2.673 1.00 0.00 H new ATOM 0 HH11 ARG A 62 51.077 1.440 2.062 1.00 0.00 H new ATOM 0 HH12 ARG A 62 49.989 2.353 3.113 1.00 0.00 H new ATOM 0 HH21 ARG A 62 47.785 -0.326 3.568 1.00 0.00 H new ATOM 0 HH22 ARG A 62 48.138 1.360 3.960 1.00 0.00 H new ATOM 1044 N ALA A 63 50.449 -4.949 0.763 1.00 0.00 N ATOM 1045 CA ALA A 63 49.390 -5.875 1.244 1.00 0.00 C ATOM 1046 C ALA A 63 49.952 -7.292 1.253 1.00 0.00 C ATOM 1047 O ALA A 63 49.446 -8.173 1.919 1.00 0.00 O ATOM 1048 CB ALA A 63 48.252 -5.745 0.233 1.00 0.00 C ATOM 0 H ALA A 63 50.445 -4.767 -0.241 1.00 0.00 H new ATOM 0 HA ALA A 63 49.044 -5.647 2.252 1.00 0.00 H new ATOM 0 HB1 ALA A 63 47.431 -6.401 0.523 1.00 0.00 H new ATOM 0 HB2 ALA A 63 47.901 -4.713 0.211 1.00 0.00 H new ATOM 0 HB3 ALA A 63 48.611 -6.028 -0.757 1.00 0.00 H new ATOM 1054 N ALA A 64 51.008 -7.506 0.517 1.00 0.00 N ATOM 1055 CA ALA A 64 51.638 -8.851 0.477 1.00 0.00 C ATOM 1056 C ALA A 64 52.687 -8.956 1.585 1.00 0.00 C ATOM 1057 O ALA A 64 52.763 -9.942 2.292 1.00 0.00 O ATOM 1058 CB ALA A 64 52.293 -8.943 -0.902 1.00 0.00 C ATOM 0 H ALA A 64 51.463 -6.800 -0.062 1.00 0.00 H new ATOM 0 HA ALA A 64 50.921 -9.657 0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 64 52.781 -9.912 -1.009 1.00 0.00 H new ATOM 0 HB2 ALA A 64 51.532 -8.833 -1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 64 53.033 -8.150 -1.007 1.00 0.00 H new ATOM 1064 N TYR A 65 53.499 -7.943 1.739 1.00 0.00 N ATOM 1065 CA TYR A 65 54.544 -7.982 2.799 1.00 0.00 C ATOM 1066 C TYR A 65 53.899 -7.994 4.188 1.00 0.00 C ATOM 1067 O TYR A 65 54.390 -8.629 5.100 1.00 0.00 O ATOM 1068 CB TYR A 65 55.363 -6.710 2.594 1.00 0.00 C ATOM 1069 CG TYR A 65 56.800 -7.085 2.320 1.00 0.00 C ATOM 1070 CD1 TYR A 65 57.119 -7.853 1.195 1.00 0.00 C ATOM 1071 CD2 TYR A 65 57.810 -6.671 3.195 1.00 0.00 C ATOM 1072 CE1 TYR A 65 58.451 -8.208 0.944 1.00 0.00 C ATOM 1073 CE2 TYR A 65 59.142 -7.023 2.944 1.00 0.00 C ATOM 1074 CZ TYR A 65 59.462 -7.792 1.819 1.00 0.00 C ATOM 1075 OH TYR A 65 60.776 -8.141 1.573 1.00 0.00 O ATOM 0 H TYR A 65 53.482 -7.092 1.176 1.00 0.00 H new ATOM 0 HA TYR A 65 55.161 -8.878 2.735 1.00 0.00 H new ATOM 0 HB2 TYR A 65 54.960 -6.133 1.761 1.00 0.00 H new ATOM 0 HB3 TYR A 65 55.302 -6.077 3.479 1.00 0.00 H new ATOM 0 HD1 TYR A 65 56.339 -8.172 0.520 1.00 0.00 H new ATOM 0 HD2 TYR A 65 57.562 -6.080 4.064 1.00 0.00 H new ATOM 0 HE1 TYR A 65 58.698 -8.802 0.076 1.00 0.00 H new ATOM 0 HE2 TYR A 65 59.922 -6.701 3.618 1.00 0.00 H new ATOM 0 HH TYR A 65 61.085 -7.698 0.755 1.00 0.00 H new ATOM 1085 N ASP A 66 52.803 -7.306 4.360 1.00 0.00 N ATOM 1086 CA ASP A 66 52.141 -7.299 5.698 1.00 0.00 C ATOM 1087 C ASP A 66 52.036 -8.732 6.237 1.00 0.00 C ATOM 1088 O ASP A 66 51.950 -8.954 7.428 1.00 0.00 O ATOM 1089 CB ASP A 66 50.750 -6.714 5.453 1.00 0.00 C ATOM 1090 CG ASP A 66 49.971 -7.631 4.510 1.00 0.00 C ATOM 1091 OD1 ASP A 66 50.596 -8.475 3.889 1.00 0.00 O ATOM 1092 OD2 ASP A 66 48.764 -7.474 4.424 1.00 0.00 O ATOM 0 H ASP A 66 52.340 -6.753 3.639 1.00 0.00 H new ATOM 0 HA ASP A 66 52.699 -6.719 6.434 1.00 0.00 H new ATOM 0 HB2 ASP A 66 50.217 -6.608 6.398 1.00 0.00 H new ATOM 0 HB3 ASP A 66 50.834 -5.717 5.021 1.00 0.00 H new ATOM 1097 N GLN A 67 52.046 -9.703 5.363 1.00 0.00 N ATOM 1098 CA GLN A 67 51.951 -11.123 5.813 1.00 0.00 C ATOM 1099 C GLN A 67 53.220 -11.882 5.417 1.00 0.00 C ATOM 1100 O GLN A 67 53.325 -13.078 5.603 1.00 0.00 O ATOM 1101 CB GLN A 67 50.736 -11.690 5.075 1.00 0.00 C ATOM 1102 CG GLN A 67 49.460 -11.347 5.846 1.00 0.00 C ATOM 1103 CD GLN A 67 48.270 -11.324 4.884 1.00 0.00 C ATOM 1104 OE1 GLN A 67 47.269 -10.690 5.152 1.00 0.00 O ATOM 1105 NE2 GLN A 67 48.336 -11.997 3.767 1.00 0.00 N ATOM 0 H GLN A 67 52.116 -9.574 4.354 1.00 0.00 H new ATOM 0 HA GLN A 67 51.849 -11.211 6.895 1.00 0.00 H new ATOM 0 HB2 GLN A 67 50.686 -11.278 4.067 1.00 0.00 H new ATOM 0 HB3 GLN A 67 50.832 -12.771 4.973 1.00 0.00 H new ATOM 0 HG2 GLN A 67 49.290 -12.081 6.633 1.00 0.00 H new ATOM 0 HG3 GLN A 67 49.566 -10.377 6.332 1.00 0.00 H new ATOM 0 HE21 GLN A 67 49.176 -12.530 3.541 1.00 0.00 H new ATOM 0 HE22 GLN A 67 47.547 -11.990 3.120 1.00 0.00 H new ATOM 1114 N TYR A 68 54.184 -11.193 4.869 1.00 0.00 N ATOM 1115 CA TYR A 68 55.447 -11.866 4.456 1.00 0.00 C ATOM 1116 C TYR A 68 55.147 -12.996 3.468 1.00 0.00 C ATOM 1117 O TYR A 68 55.888 -13.951 3.358 1.00 0.00 O ATOM 1118 CB TYR A 68 56.040 -12.419 5.749 1.00 0.00 C ATOM 1119 CG TYR A 68 56.965 -11.389 6.350 1.00 0.00 C ATOM 1120 CD1 TYR A 68 57.955 -10.796 5.559 1.00 0.00 C ATOM 1121 CD2 TYR A 68 56.832 -11.028 7.695 1.00 0.00 C ATOM 1122 CE1 TYR A 68 58.814 -9.839 6.114 1.00 0.00 C ATOM 1123 CE2 TYR A 68 57.691 -10.072 8.251 1.00 0.00 C ATOM 1124 CZ TYR A 68 58.681 -9.477 7.460 1.00 0.00 C ATOM 1125 OH TYR A 68 59.528 -8.534 8.008 1.00 0.00 O ATOM 0 H TYR A 68 54.150 -10.190 4.689 1.00 0.00 H new ATOM 0 HA TYR A 68 56.134 -11.186 3.954 1.00 0.00 H new ATOM 0 HB2 TYR A 68 55.244 -12.665 6.452 1.00 0.00 H new ATOM 0 HB3 TYR A 68 56.585 -13.342 5.548 1.00 0.00 H new ATOM 0 HD1 TYR A 68 58.057 -11.076 4.521 1.00 0.00 H new ATOM 0 HD2 TYR A 68 56.067 -11.486 8.304 1.00 0.00 H new ATOM 0 HE1 TYR A 68 59.578 -9.381 5.504 1.00 0.00 H new ATOM 0 HE2 TYR A 68 57.590 -9.794 9.290 1.00 0.00 H new ATOM 0 HH TYR A 68 59.300 -8.398 8.951 1.00 0.00 H new ATOM 1135 N GLY A 69 54.064 -12.890 2.748 1.00 0.00 N ATOM 1136 CA GLY A 69 53.714 -13.953 1.769 1.00 0.00 C ATOM 1137 C GLY A 69 52.620 -14.841 2.357 1.00 0.00 C ATOM 1138 O GLY A 69 52.472 -14.948 3.559 1.00 0.00 O ATOM 0 H GLY A 69 53.407 -12.112 2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 69 53.372 -13.505 0.836 1.00 0.00 H new ATOM 0 HA3 GLY A 69 54.595 -14.550 1.533 1.00 0.00 H new ATOM 1142 N HIS A 70 51.851 -15.480 1.522 1.00 0.00 N ATOM 1143 CA HIS A 70 50.765 -16.361 2.038 1.00 0.00 C ATOM 1144 C HIS A 70 51.362 -17.508 2.859 1.00 0.00 C ATOM 1145 O HIS A 70 50.660 -18.221 3.547 1.00 0.00 O ATOM 1146 CB HIS A 70 50.062 -16.900 0.791 1.00 0.00 C ATOM 1147 CG HIS A 70 51.089 -17.388 -0.195 1.00 0.00 C ATOM 1148 ND1 HIS A 70 51.905 -18.478 0.066 1.00 0.00 N ATOM 1149 CD2 HIS A 70 51.442 -16.946 -1.446 1.00 0.00 C ATOM 1150 CE1 HIS A 70 52.701 -18.652 -1.006 1.00 0.00 C ATOM 1151 NE2 HIS A 70 52.460 -17.745 -1.956 1.00 0.00 N ATOM 0 H HIS A 70 51.926 -15.431 0.506 1.00 0.00 H new ATOM 0 HA HIS A 70 50.076 -15.827 2.692 1.00 0.00 H new ATOM 0 HB2 HIS A 70 49.389 -17.713 1.063 1.00 0.00 H new ATOM 0 HB3 HIS A 70 49.451 -16.119 0.339 1.00 0.00 H new ATOM 0 HD2 HIS A 70 50.997 -16.105 -1.957 1.00 0.00 H new ATOM 0 HE1 HIS A 70 53.445 -19.431 -1.088 1.00 0.00 H new ATOM 0 HE2 HIS A 70 52.923 -17.657 -2.861 1.00 0.00 H new ATOM 1159 N ALA A 71 52.653 -17.688 2.792 1.00 0.00 N ATOM 1160 CA ALA A 71 53.297 -18.785 3.569 1.00 0.00 C ATOM 1161 C ALA A 71 52.936 -18.663 5.050 1.00 0.00 C ATOM 1162 O ALA A 71 52.730 -19.648 5.733 1.00 0.00 O ATOM 1163 CB ALA A 71 54.799 -18.583 3.367 1.00 0.00 C ATOM 0 H ALA A 71 53.290 -17.122 2.232 1.00 0.00 H new ATOM 0 HA ALA A 71 52.970 -19.772 3.241 1.00 0.00 H new ATOM 0 HB1 ALA A 71 55.346 -19.354 3.910 1.00 0.00 H new ATOM 0 HB2 ALA A 71 55.036 -18.650 2.305 1.00 0.00 H new ATOM 0 HB3 ALA A 71 55.088 -17.601 3.742 1.00 0.00 H new ATOM 1169 N ALA A 72 52.855 -17.462 5.551 1.00 0.00 N ATOM 1170 CA ALA A 72 52.505 -17.280 6.988 1.00 0.00 C ATOM 1171 C ALA A 72 51.071 -17.752 7.236 1.00 0.00 C ATOM 1172 O ALA A 72 50.633 -17.878 8.363 1.00 0.00 O ATOM 1173 CB ALA A 72 52.631 -15.776 7.238 1.00 0.00 C ATOM 0 H ALA A 72 53.016 -16.600 5.029 1.00 0.00 H new ATOM 0 HA ALA A 72 53.150 -17.855 7.653 1.00 0.00 H new ATOM 0 HB1 ALA A 72 52.389 -15.558 8.278 1.00 0.00 H new ATOM 0 HB2 ALA A 72 53.652 -15.457 7.029 1.00 0.00 H new ATOM 0 HB3 ALA A 72 51.942 -15.240 6.585 1.00 0.00 H new ATOM 1179 N PHE A 73 50.338 -18.019 6.190 1.00 0.00 N ATOM 1180 CA PHE A 73 48.934 -18.488 6.362 1.00 0.00 C ATOM 1181 C PHE A 73 48.677 -19.719 5.488 1.00 0.00 C ATOM 1182 O PHE A 73 47.572 -20.218 5.410 1.00 0.00 O ATOM 1183 CB PHE A 73 48.067 -17.313 5.911 1.00 0.00 C ATOM 1184 CG PHE A 73 47.796 -16.412 7.092 1.00 0.00 C ATOM 1185 CD1 PHE A 73 46.677 -16.638 7.904 1.00 0.00 C ATOM 1186 CD2 PHE A 73 48.665 -15.353 7.380 1.00 0.00 C ATOM 1187 CE1 PHE A 73 46.428 -15.804 9.001 1.00 0.00 C ATOM 1188 CE2 PHE A 73 48.416 -14.519 8.477 1.00 0.00 C ATOM 1189 CZ PHE A 73 47.297 -14.745 9.288 1.00 0.00 C ATOM 0 H PHE A 73 50.651 -17.933 5.223 1.00 0.00 H new ATOM 0 HA PHE A 73 48.717 -18.781 7.389 1.00 0.00 H new ATOM 0 HB2 PHE A 73 48.571 -16.756 5.122 1.00 0.00 H new ATOM 0 HB3 PHE A 73 47.128 -17.678 5.494 1.00 0.00 H new ATOM 0 HD1 PHE A 73 46.006 -17.455 7.684 1.00 0.00 H new ATOM 0 HD2 PHE A 73 49.529 -15.179 6.755 1.00 0.00 H new ATOM 0 HE1 PHE A 73 45.565 -15.978 9.626 1.00 0.00 H new ATOM 0 HE2 PHE A 73 49.087 -13.702 8.697 1.00 0.00 H new ATOM 0 HZ PHE A 73 47.105 -14.102 10.134 1.00 0.00 H new ATOM 1199 N GLU A 74 49.693 -20.213 4.833 1.00 0.00 N ATOM 1200 CA GLU A 74 49.510 -21.416 3.969 1.00 0.00 C ATOM 1201 C GLU A 74 48.520 -21.115 2.841 1.00 0.00 C ATOM 1202 O GLU A 74 47.681 -20.244 2.953 1.00 0.00 O ATOM 1203 CB GLU A 74 48.946 -22.490 4.899 1.00 0.00 C ATOM 1204 CG GLU A 74 49.722 -22.491 6.216 1.00 0.00 C ATOM 1205 CD GLU A 74 51.149 -22.984 5.968 1.00 0.00 C ATOM 1206 OE1 GLU A 74 51.916 -22.244 5.374 1.00 0.00 O ATOM 1207 OE2 GLU A 74 51.452 -24.092 6.378 1.00 0.00 O ATOM 0 H GLU A 74 50.641 -19.837 4.858 1.00 0.00 H new ATOM 0 HA GLU A 74 50.442 -21.729 3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 74 47.889 -22.302 5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 74 49.015 -23.469 4.424 1.00 0.00 H new ATOM 0 HG2 GLU A 74 49.741 -21.487 6.640 1.00 0.00 H new ATOM 0 HG3 GLU A 74 49.225 -23.134 6.943 1.00 0.00 H new ATOM 1214 N GLN A 75 48.610 -21.834 1.755 1.00 0.00 N ATOM 1215 CA GLN A 75 47.673 -21.593 0.621 1.00 0.00 C ATOM 1216 C GLN A 75 46.390 -22.404 0.820 1.00 0.00 C ATOM 1217 O GLN A 75 46.384 -23.422 1.484 1.00 0.00 O ATOM 1218 CB GLN A 75 48.423 -22.074 -0.621 1.00 0.00 C ATOM 1219 CG GLN A 75 49.463 -21.028 -1.027 1.00 0.00 C ATOM 1220 CD GLN A 75 50.677 -21.724 -1.643 1.00 0.00 C ATOM 1221 OE1 GLN A 75 51.609 -22.077 -0.945 1.00 0.00 O ATOM 1222 NE2 GLN A 75 50.708 -21.940 -2.929 1.00 0.00 N ATOM 0 H GLN A 75 49.292 -22.578 1.604 1.00 0.00 H new ATOM 0 HA GLN A 75 47.380 -20.546 0.540 1.00 0.00 H new ATOM 0 HB2 GLN A 75 48.911 -23.027 -0.418 1.00 0.00 H new ATOM 0 HB3 GLN A 75 47.723 -22.242 -1.439 1.00 0.00 H new ATOM 0 HG2 GLN A 75 49.030 -20.329 -1.742 1.00 0.00 H new ATOM 0 HG3 GLN A 75 49.767 -20.446 -0.157 1.00 0.00 H new ATOM 0 HE21 GLN A 75 49.927 -21.644 -3.515 1.00 0.00 H new ATOM 0 HE22 GLN A 75 51.513 -22.405 -3.349 1.00 0.00 H new ATOM 1231 N GLY A 76 45.301 -21.963 0.252 1.00 0.00 N ATOM 1232 CA GLY A 76 44.023 -22.712 0.414 1.00 0.00 C ATOM 1233 C GLY A 76 43.174 -22.562 -0.849 1.00 0.00 C ATOM 1234 O GLY A 76 43.436 -21.724 -1.690 1.00 0.00 O ATOM 0 H GLY A 76 45.241 -21.118 -0.316 1.00 0.00 H new ATOM 0 HA2 GLY A 76 44.229 -23.766 0.602 1.00 0.00 H new ATOM 0 HA3 GLY A 76 43.476 -22.335 1.278 1.00 0.00 H new ATOM 1238 N GLY A 77 42.158 -23.367 -0.992 1.00 0.00 N ATOM 1239 CA GLY A 77 41.293 -23.270 -2.201 1.00 0.00 C ATOM 1240 C GLY A 77 39.912 -23.849 -1.889 1.00 0.00 C ATOM 1241 O GLY A 77 39.853 -24.830 -1.165 1.00 0.00 O ATOM 1242 OXT GLY A 77 38.937 -23.303 -2.379 1.00 0.00 O ATOM 0 H GLY A 77 41.889 -24.089 -0.323 1.00 0.00 H new ATOM 0 HA2 GLY A 77 41.201 -22.230 -2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 77 41.747 -23.812 -3.030 1.00 0.00 H new TER 1246 GLY A 77