USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 581 hydrogens (13 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 NoAdj-H: A 25 MLE H : A 25 MLE N : A 24 GLU C :(H bumps) USER MOD Set 1.1: A 71 ASN : amide:sc= -0.0257 X(o=-0.025,f=-0.038) USER MOD Set 1.2: A 72 SER OG : rot 93:sc=0.000283 USER MOD Set 2.1: A 30 SER OG : rot -93:sc= 0.0557 USER MOD Set 2.2: A 37 THR OG1 : rot 180:sc=0.000743 USER MOD Set 3.1: A 13 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.338 X(o=-0.34,f=-0.37) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 123:sc= 0.668 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= -11.5! C(o=-11!,f=-21!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.19 K(o=-0.19,f=-4.6!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 75:sc= 0.38 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0026 X(o=-0.0026,f=-0.073) USER MOD Single : A 59 GLN : amide:sc= -0.75 X(o=-0.75,f=-0.93) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -170:sc= 0.802 (180deg=0.717) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 4 -12.588 13.206 -11.006 1.00 9.58 N ATOM 2 CA GLU A 4 -12.696 12.742 -9.591 1.00 9.09 C ATOM 3 C GLU A 4 -11.350 12.940 -8.879 1.00 8.06 C ATOM 4 O GLU A 4 -10.312 12.554 -9.387 1.00 8.10 O ATOM 5 CB GLU A 4 -13.068 11.256 -9.564 1.00 9.77 C ATOM 6 CG GLU A 4 -14.591 11.105 -9.513 1.00 10.24 C ATOM 7 CD GLU A 4 -14.956 9.620 -9.423 1.00 11.04 C ATOM 8 OE1 GLU A 4 -14.819 9.061 -8.346 1.00 11.49 O ATOM 9 OE2 GLU A 4 -15.365 9.068 -10.431 1.00 11.36 O ATOM 0 HA GLU A 4 -13.467 13.321 -9.082 1.00 9.09 H new ATOM 0 HB2 GLU A 4 -12.673 10.756 -10.449 1.00 9.77 H new ATOM 0 HB3 GLU A 4 -12.616 10.774 -8.697 1.00 9.77 H new ATOM 0 HG2 GLU A 4 -14.991 11.641 -8.653 1.00 10.24 H new ATOM 0 HG3 GLU A 4 -15.041 11.547 -10.402 1.00 10.24 H new ATOM 16 N LEU A 5 -11.358 13.527 -7.704 1.00 7.36 N ATOM 17 CA LEU A 5 -10.078 13.738 -6.956 1.00 6.53 C ATOM 18 C LEU A 5 -10.296 13.445 -5.469 1.00 6.17 C ATOM 19 O LEU A 5 -9.795 14.136 -4.605 1.00 6.61 O ATOM 20 CB LEU A 5 -9.596 15.186 -7.137 1.00 6.34 C ATOM 21 CG LEU A 5 -10.703 16.170 -6.727 1.00 7.26 C ATOM 22 CD1 LEU A 5 -10.448 16.681 -5.304 1.00 7.60 C ATOM 23 CD2 LEU A 5 -10.714 17.354 -7.694 1.00 7.86 C ATOM 0 H LEU A 5 -12.195 13.868 -7.232 1.00 7.36 H new ATOM 0 HA LEU A 5 -9.319 13.061 -7.349 1.00 6.53 H new ATOM 0 HB2 LEU A 5 -8.705 15.358 -6.534 1.00 6.34 H new ATOM 0 HB3 LEU A 5 -9.315 15.356 -8.176 1.00 6.34 H new ATOM 0 HG LEU A 5 -11.665 15.659 -6.758 1.00 7.26 H new ATOM 0 HD11 LEU A 5 -11.237 17.378 -5.021 1.00 7.60 H new ATOM 0 HD12 LEU A 5 -10.441 15.840 -4.611 1.00 7.60 H new ATOM 0 HD13 LEU A 5 -9.484 17.189 -5.267 1.00 7.60 H new ATOM 0 HD21 LEU A 5 -11.499 18.053 -7.405 1.00 7.86 H new ATOM 0 HD22 LEU A 5 -9.749 17.859 -7.662 1.00 7.86 H new ATOM 0 HD23 LEU A 5 -10.903 16.996 -8.706 1.00 7.86 H new ATOM 35 N ARG A 6 -11.037 12.421 -5.165 1.00 5.61 N ATOM 36 CA ARG A 6 -11.289 12.083 -3.744 1.00 5.48 C ATOM 37 C ARG A 6 -10.444 10.877 -3.345 1.00 4.69 C ATOM 38 O ARG A 6 -10.096 10.048 -4.167 1.00 4.64 O ATOM 39 CB ARG A 6 -12.766 11.745 -3.550 1.00 6.06 C ATOM 40 CG ARG A 6 -13.646 12.719 -4.343 1.00 6.84 C ATOM 41 CD ARG A 6 -14.896 13.060 -3.530 1.00 7.76 C ATOM 42 NE ARG A 6 -16.003 13.446 -4.452 1.00 8.57 N ATOM 43 CZ ARG A 6 -15.959 14.589 -5.087 1.00 9.27 C ATOM 44 NH1 ARG A 6 -16.358 15.682 -4.490 1.00 9.70 N ATOM 45 NH2 ARG A 6 -15.515 14.636 -6.318 1.00 9.77 N ATOM 0 H ARG A 6 -11.480 11.802 -5.844 1.00 5.61 H new ATOM 0 HA ARG A 6 -11.024 12.938 -3.122 1.00 5.48 H new ATOM 0 HB2 ARG A 6 -12.958 10.723 -3.877 1.00 6.06 H new ATOM 0 HB3 ARG A 6 -13.021 11.794 -2.491 1.00 6.06 H new ATOM 0 HG2 ARG A 6 -13.088 13.628 -4.569 1.00 6.84 H new ATOM 0 HG3 ARG A 6 -13.930 12.274 -5.297 1.00 6.84 H new ATOM 0 HD2 ARG A 6 -15.194 12.203 -2.926 1.00 7.76 H new ATOM 0 HD3 ARG A 6 -14.682 13.877 -2.841 1.00 7.76 H new ATOM 0 HE ARG A 6 -16.795 12.818 -4.588 1.00 8.57 H new ATOM 0 HH11 ARG A 6 -16.703 15.642 -3.531 1.00 9.70 H new ATOM 0 HH12 ARG A 6 -16.324 16.574 -4.984 1.00 9.70 H new ATOM 0 HH21 ARG A 6 -15.204 13.782 -6.781 1.00 9.77 H new ATOM 0 HH22 ARG A 6 -15.480 15.527 -6.814 1.00 9.77 H new ATOM 59 N CYS A 7 -10.122 10.773 -2.084 1.00 4.47 N ATOM 60 CA CYS A 7 -9.306 9.619 -1.603 1.00 4.05 C ATOM 61 C CYS A 7 -10.154 8.342 -1.677 1.00 4.38 C ATOM 62 O CYS A 7 -11.020 8.113 -0.853 1.00 4.93 O ATOM 63 CB CYS A 7 -8.871 9.858 -0.155 1.00 4.32 C ATOM 64 SG CYS A 7 -8.104 11.491 0.002 1.00 4.79 S ATOM 0 H CYS A 7 -10.390 11.441 -1.362 1.00 4.47 H new ATOM 0 HA CYS A 7 -8.420 9.514 -2.229 1.00 4.05 H new ATOM 0 HB2 CYS A 7 -9.733 9.787 0.508 1.00 4.32 H new ATOM 0 HB3 CYS A 7 -8.167 9.085 0.154 1.00 4.32 H new ATOM 69 N GLN A 8 -9.910 7.516 -2.665 1.00 4.51 N ATOM 70 CA GLN A 8 -10.694 6.253 -2.812 1.00 5.30 C ATOM 71 C GLN A 8 -10.330 5.253 -1.698 1.00 5.47 C ATOM 72 O GLN A 8 -11.031 4.279 -1.489 1.00 6.21 O ATOM 73 CB GLN A 8 -10.388 5.628 -4.179 1.00 5.63 C ATOM 74 CG GLN A 8 -8.888 5.328 -4.300 1.00 6.22 C ATOM 75 CD GLN A 8 -8.665 4.222 -5.335 1.00 7.21 C ATOM 76 OE1 GLN A 8 -8.744 3.052 -5.015 1.00 7.78 O ATOM 77 NE2 GLN A 8 -8.388 4.543 -6.570 1.00 7.68 N ATOM 0 H GLN A 8 -9.197 7.665 -3.379 1.00 4.51 H new ATOM 0 HA GLN A 8 -11.756 6.486 -2.735 1.00 5.30 H new ATOM 0 HB2 GLN A 8 -10.961 4.709 -4.304 1.00 5.63 H new ATOM 0 HB3 GLN A 8 -10.696 6.306 -4.975 1.00 5.63 H new ATOM 0 HG2 GLN A 8 -8.350 6.229 -4.595 1.00 6.22 H new ATOM 0 HG3 GLN A 8 -8.490 5.020 -3.333 1.00 6.22 H new ATOM 0 HE21 GLN A 8 -8.322 5.525 -6.839 1.00 7.68 H new ATOM 0 HE22 GLN A 8 -8.238 3.812 -7.266 1.00 7.68 H new ATOM 86 N CYS A 9 -9.243 5.475 -0.991 1.00 5.04 N ATOM 87 CA CYS A 9 -8.840 4.533 0.087 1.00 5.45 C ATOM 88 C CYS A 9 -8.928 5.231 1.446 1.00 5.99 C ATOM 89 O CYS A 9 -8.104 6.063 1.784 1.00 6.13 O ATOM 90 CB CYS A 9 -7.406 4.074 -0.168 1.00 5.08 C ATOM 91 SG CYS A 9 -7.422 2.698 -1.345 1.00 5.12 S ATOM 0 H CYS A 9 -8.621 6.273 -1.121 1.00 5.04 H new ATOM 0 HA CYS A 9 -9.507 3.671 0.091 1.00 5.45 H new ATOM 0 HB2 CYS A 9 -6.812 4.899 -0.562 1.00 5.08 H new ATOM 0 HB3 CYS A 9 -6.939 3.763 0.767 1.00 5.08 H new ATOM 96 N ILE A 10 -9.920 4.884 2.229 1.00 6.61 N ATOM 97 CA ILE A 10 -10.073 5.505 3.581 1.00 7.44 C ATOM 98 C ILE A 10 -9.016 4.916 4.526 1.00 7.48 C ATOM 99 O ILE A 10 -8.546 5.580 5.431 1.00 8.16 O ATOM 100 CB ILE A 10 -11.478 5.208 4.128 1.00 8.38 C ATOM 101 CG1 ILE A 10 -12.537 5.728 3.147 1.00 8.63 C ATOM 102 CG2 ILE A 10 -11.664 5.899 5.483 1.00 9.31 C ATOM 103 CD1 ILE A 10 -13.398 4.562 2.652 1.00 9.47 C ATOM 0 H ILE A 10 -10.633 4.195 1.989 1.00 6.61 H new ATOM 0 HA ILE A 10 -9.939 6.584 3.508 1.00 7.44 H new ATOM 0 HB ILE A 10 -11.591 4.131 4.250 1.00 8.38 H new ATOM 0 HG12 ILE A 10 -13.164 6.474 3.635 1.00 8.63 H new ATOM 0 HG13 ILE A 10 -12.054 6.220 2.303 1.00 8.63 H new ATOM 0 HG21 ILE A 10 -12.662 5.685 5.866 1.00 9.31 H new ATOM 0 HG22 ILE A 10 -10.918 5.528 6.186 1.00 9.31 H new ATOM 0 HG23 ILE A 10 -11.545 6.976 5.362 1.00 9.31 H new ATOM 0 HD11 ILE A 10 -14.149 4.934 1.955 1.00 9.47 H new ATOM 0 HD12 ILE A 10 -12.766 3.831 2.147 1.00 9.47 H new ATOM 0 HD13 ILE A 10 -13.893 4.089 3.500 1.00 9.47 H new ATOM 115 N LYS A 11 -8.638 3.676 4.315 1.00 6.93 N ATOM 116 CA LYS A 11 -7.610 3.029 5.189 1.00 7.15 C ATOM 117 C LYS A 11 -6.543 2.363 4.310 1.00 6.42 C ATOM 118 O LYS A 11 -6.671 2.306 3.100 1.00 6.35 O ATOM 119 CB LYS A 11 -8.280 1.966 6.068 1.00 8.05 C ATOM 120 CG LYS A 11 -9.259 2.637 7.036 1.00 8.65 C ATOM 121 CD LYS A 11 -9.634 1.655 8.149 1.00 9.04 C ATOM 122 CE LYS A 11 -8.731 1.885 9.365 1.00 9.50 C ATOM 123 NZ LYS A 11 -9.476 1.550 10.612 1.00 9.69 N ATOM 0 H LYS A 11 -9.001 3.082 3.569 1.00 6.93 H new ATOM 0 HA LYS A 11 -7.145 3.784 5.823 1.00 7.15 H new ATOM 0 HB2 LYS A 11 -8.808 1.245 5.444 1.00 8.05 H new ATOM 0 HB3 LYS A 11 -7.524 1.413 6.626 1.00 8.05 H new ATOM 0 HG2 LYS A 11 -8.807 3.532 7.464 1.00 8.65 H new ATOM 0 HG3 LYS A 11 -10.154 2.956 6.501 1.00 8.65 H new ATOM 0 HD2 LYS A 11 -10.679 1.789 8.429 1.00 9.04 H new ATOM 0 HD3 LYS A 11 -9.528 0.630 7.794 1.00 9.04 H new ATOM 0 HE2 LYS A 11 -7.836 1.268 9.288 1.00 9.50 H new ATOM 0 HE3 LYS A 11 -8.401 2.923 9.394 1.00 9.50 H new ATOM 0 HZ1 LYS A 11 -8.861 1.707 11.436 1.00 9.69 H new ATOM 0 HZ2 LYS A 11 -10.317 2.156 10.687 1.00 9.69 H new ATOM 0 HZ3 LYS A 11 -9.770 0.553 10.584 1.00 9.69 H new ATOM 137 N THR A 12 -5.491 1.855 4.910 1.00 6.02 N ATOM 138 CA THR A 12 -4.418 1.189 4.109 1.00 5.35 C ATOM 139 C THR A 12 -4.117 -0.205 4.664 1.00 5.31 C ATOM 140 O THR A 12 -4.851 -0.743 5.473 1.00 5.80 O ATOM 141 CB THR A 12 -3.137 2.029 4.115 1.00 5.23 C ATOM 142 OG1 THR A 12 -3.159 2.960 5.190 1.00 5.90 O ATOM 143 CG2 THR A 12 -3.022 2.764 2.786 1.00 5.32 C ATOM 0 H THR A 12 -5.331 1.874 5.917 1.00 6.02 H new ATOM 0 HA THR A 12 -4.776 1.095 3.084 1.00 5.35 H new ATOM 0 HB THR A 12 -2.275 1.375 4.249 1.00 5.23 H new ATOM 0 HG1 THR A 12 -2.369 2.827 5.754 1.00 5.90 H new ATOM 0 HG21 THR A 12 -2.113 3.365 2.780 1.00 5.32 H new ATOM 0 HG22 THR A 12 -2.984 2.040 1.972 1.00 5.32 H new ATOM 0 HG23 THR A 12 -3.887 3.413 2.653 1.00 5.32 H new ATOM 151 N TYR A 13 -3.047 -0.799 4.199 1.00 4.96 N ATOM 152 CA TYR A 13 -2.675 -2.165 4.643 1.00 5.03 C ATOM 153 C TYR A 13 -1.424 -2.113 5.523 1.00 5.08 C ATOM 154 O TYR A 13 -0.409 -1.560 5.144 1.00 4.67 O ATOM 155 CB TYR A 13 -2.387 -3.010 3.398 1.00 4.85 C ATOM 156 CG TYR A 13 -2.507 -4.480 3.704 1.00 5.22 C ATOM 157 CD1 TYR A 13 -3.296 -4.921 4.771 1.00 5.34 C ATOM 158 CD2 TYR A 13 -1.817 -5.400 2.911 1.00 5.75 C ATOM 159 CE1 TYR A 13 -3.395 -6.288 5.047 1.00 5.79 C ATOM 160 CE2 TYR A 13 -1.914 -6.770 3.185 1.00 6.30 C ATOM 161 CZ TYR A 13 -2.703 -7.214 4.255 1.00 6.23 C ATOM 162 OH TYR A 13 -2.798 -8.564 4.528 1.00 6.84 O ATOM 0 H TYR A 13 -2.409 -0.384 3.520 1.00 4.96 H new ATOM 0 HA TYR A 13 -3.489 -2.600 5.222 1.00 5.03 H new ATOM 0 HB2 TYR A 13 -3.083 -2.742 2.603 1.00 4.85 H new ATOM 0 HB3 TYR A 13 -1.384 -2.792 3.030 1.00 4.85 H new ATOM 0 HD1 TYR A 13 -3.828 -4.206 5.381 1.00 5.34 H new ATOM 0 HD2 TYR A 13 -1.209 -5.055 2.087 1.00 5.75 H new ATOM 0 HE1 TYR A 13 -4.005 -6.630 5.870 1.00 5.79 H new ATOM 0 HE2 TYR A 13 -1.382 -7.483 2.573 1.00 6.30 H new ATOM 0 HH TYR A 13 -2.258 -9.067 3.883 1.00 6.84 H new ATOM 172 N SER A 14 -1.491 -2.706 6.690 1.00 5.82 N ATOM 173 CA SER A 14 -0.308 -2.722 7.603 1.00 6.06 C ATOM 174 C SER A 14 0.386 -4.083 7.504 1.00 6.51 C ATOM 175 O SER A 14 1.596 -4.175 7.584 1.00 6.88 O ATOM 176 CB SER A 14 -0.760 -2.470 9.046 1.00 6.42 C ATOM 177 OG SER A 14 -1.659 -3.497 9.450 1.00 6.80 O ATOM 0 H SER A 14 -2.318 -3.181 7.050 1.00 5.82 H new ATOM 0 HA SER A 14 0.389 -1.936 7.311 1.00 6.06 H new ATOM 0 HB2 SER A 14 0.104 -2.447 9.710 1.00 6.42 H new ATOM 0 HB3 SER A 14 -1.246 -1.497 9.121 1.00 6.42 H new ATOM 0 HG SER A 14 -1.946 -3.336 10.373 1.00 6.80 H new ATOM 183 N LYS A 15 -0.372 -5.141 7.312 1.00 6.59 N ATOM 184 CA LYS A 15 0.245 -6.494 7.188 1.00 7.06 C ATOM 185 C LYS A 15 0.857 -6.614 5.786 1.00 6.32 C ATOM 186 O LYS A 15 0.275 -6.159 4.825 1.00 6.13 O ATOM 187 CB LYS A 15 -0.799 -7.605 7.374 1.00 7.75 C ATOM 188 CG LYS A 15 -2.016 -7.099 8.163 1.00 8.64 C ATOM 189 CD LYS A 15 -2.802 -8.290 8.719 1.00 9.43 C ATOM 190 CE LYS A 15 -4.007 -8.582 7.819 1.00 10.20 C ATOM 191 NZ LYS A 15 -4.026 -10.029 7.459 1.00 10.59 N ATOM 0 H LYS A 15 -1.389 -5.121 7.237 1.00 6.59 H new ATOM 0 HA LYS A 15 1.003 -6.609 7.963 1.00 7.06 H new ATOM 0 HB2 LYS A 15 -1.121 -7.971 6.399 1.00 7.75 H new ATOM 0 HB3 LYS A 15 -0.348 -8.448 7.898 1.00 7.75 H new ATOM 0 HG2 LYS A 15 -1.690 -6.453 8.979 1.00 8.64 H new ATOM 0 HG3 LYS A 15 -2.656 -6.498 7.517 1.00 8.64 H new ATOM 0 HD2 LYS A 15 -2.158 -9.168 8.776 1.00 9.43 H new ATOM 0 HD3 LYS A 15 -3.138 -8.074 9.733 1.00 9.43 H new ATOM 0 HE2 LYS A 15 -4.930 -8.313 8.332 1.00 10.20 H new ATOM 0 HE3 LYS A 15 -3.955 -7.973 6.916 1.00 10.20 H new ATOM 0 HZ1 LYS A 15 -4.845 -10.224 6.848 1.00 10.59 H new ATOM 0 HZ2 LYS A 15 -3.151 -10.272 6.953 1.00 10.59 H new ATOM 0 HZ3 LYS A 15 -4.096 -10.601 8.325 1.00 10.59 H new ATOM 205 N PRO A 16 2.022 -7.203 5.719 1.00 6.02 N ATOM 206 CA PRO A 16 2.758 -7.373 4.454 1.00 5.35 C ATOM 207 C PRO A 16 2.271 -8.609 3.686 1.00 5.50 C ATOM 208 O PRO A 16 1.663 -9.503 4.245 1.00 6.37 O ATOM 209 CB PRO A 16 4.203 -7.547 4.918 1.00 5.39 C ATOM 210 CG PRO A 16 4.142 -8.044 6.385 1.00 6.26 C ATOM 211 CD PRO A 16 2.719 -7.748 6.895 1.00 6.51 C ATOM 0 HA PRO A 16 2.624 -6.538 3.767 1.00 5.35 H new ATOM 0 HB2 PRO A 16 4.728 -8.265 4.288 1.00 5.39 H new ATOM 0 HB3 PRO A 16 4.747 -6.605 4.851 1.00 5.39 H new ATOM 0 HG2 PRO A 16 4.359 -9.111 6.441 1.00 6.26 H new ATOM 0 HG3 PRO A 16 4.886 -7.535 6.997 1.00 6.26 H new ATOM 0 HD2 PRO A 16 2.232 -8.651 7.264 1.00 6.51 H new ATOM 0 HD3 PRO A 16 2.731 -7.033 7.718 1.00 6.51 H new ATOM 219 N PHE A 17 2.548 -8.661 2.405 1.00 4.76 N ATOM 220 CA PHE A 17 2.118 -9.835 1.578 1.00 4.96 C ATOM 221 C PHE A 17 2.964 -9.916 0.295 1.00 4.78 C ATOM 222 O PHE A 17 3.591 -8.953 -0.108 1.00 4.77 O ATOM 223 CB PHE A 17 0.617 -9.724 1.237 1.00 4.69 C ATOM 224 CG PHE A 17 0.352 -8.631 0.220 1.00 3.72 C ATOM 225 CD1 PHE A 17 0.497 -7.283 0.573 1.00 3.74 C ATOM 226 CD2 PHE A 17 -0.056 -8.972 -1.079 1.00 3.29 C ATOM 227 CE1 PHE A 17 0.239 -6.280 -0.370 1.00 3.14 C ATOM 228 CE2 PHE A 17 -0.315 -7.967 -2.019 1.00 2.59 C ATOM 229 CZ PHE A 17 -0.167 -6.623 -1.664 1.00 2.38 C ATOM 0 H PHE A 17 3.055 -7.938 1.894 1.00 4.76 H new ATOM 0 HA PHE A 17 2.273 -10.749 2.151 1.00 4.96 H new ATOM 0 HB2 PHE A 17 0.261 -10.678 0.847 1.00 4.69 H new ATOM 0 HB3 PHE A 17 0.051 -9.520 2.146 1.00 4.69 H new ATOM 0 HD1 PHE A 17 0.808 -7.017 1.573 1.00 3.74 H new ATOM 0 HD2 PHE A 17 -0.170 -10.010 -1.354 1.00 3.29 H new ATOM 0 HE1 PHE A 17 0.354 -5.241 -0.098 1.00 3.14 H new ATOM 0 HE2 PHE A 17 -0.629 -8.230 -3.018 1.00 2.59 H new ATOM 0 HZ PHE A 17 -0.366 -5.848 -2.390 1.00 2.38 H new ATOM 239 N HIS A 18 2.991 -11.068 -0.338 1.00 4.92 N ATOM 240 CA HIS A 18 3.800 -11.243 -1.584 1.00 5.06 C ATOM 241 C HIS A 18 3.177 -10.411 -2.739 1.00 4.32 C ATOM 242 O HIS A 18 1.970 -10.315 -2.848 1.00 4.10 O ATOM 243 CB HIS A 18 3.867 -12.741 -1.891 1.00 5.95 C ATOM 244 CG HIS A 18 4.337 -12.957 -3.283 1.00 6.25 C ATOM 245 ND1 HIS A 18 5.669 -13.140 -3.617 1.00 6.36 N ATOM 246 CD2 HIS A 18 3.646 -13.010 -4.438 1.00 6.72 C ATOM 247 CE1 HIS A 18 5.719 -13.292 -4.951 1.00 6.81 C ATOM 248 NE2 HIS A 18 4.511 -13.227 -5.492 1.00 7.07 N ATOM 0 H HIS A 18 2.482 -11.900 -0.040 1.00 4.92 H new ATOM 0 HA HIS A 18 4.818 -10.873 -1.458 1.00 5.06 H new ATOM 0 HB2 HIS A 18 4.542 -13.234 -1.191 1.00 5.95 H new ATOM 0 HB3 HIS A 18 2.884 -13.192 -1.757 1.00 5.95 H new ATOM 0 HD1 HIS A 18 6.460 -13.156 -2.973 1.00 6.36 H new ATOM 0 HD2 HIS A 18 2.575 -12.899 -4.526 1.00 6.72 H new ATOM 0 HE1 HIS A 18 6.629 -13.448 -5.512 1.00 6.81 H new ATOM 256 N PRO A 19 4.043 -9.773 -3.519 1.00 4.16 N ATOM 257 CA PRO A 19 3.640 -8.856 -4.622 1.00 3.77 C ATOM 258 C PRO A 19 3.144 -9.545 -5.902 1.00 4.27 C ATOM 259 O PRO A 19 2.202 -9.076 -6.509 1.00 4.32 O ATOM 260 CB PRO A 19 4.921 -8.077 -4.923 1.00 3.96 C ATOM 261 CG PRO A 19 6.092 -8.952 -4.426 1.00 4.62 C ATOM 262 CD PRO A 19 5.509 -9.911 -3.373 1.00 4.65 C ATOM 0 HA PRO A 19 2.788 -8.254 -4.307 1.00 3.77 H new ATOM 0 HB2 PRO A 19 5.012 -7.877 -5.991 1.00 3.96 H new ATOM 0 HB3 PRO A 19 4.916 -7.111 -4.417 1.00 3.96 H new ATOM 0 HG2 PRO A 19 6.538 -9.507 -5.251 1.00 4.62 H new ATOM 0 HG3 PRO A 19 6.880 -8.335 -3.994 1.00 4.62 H new ATOM 0 HD2 PRO A 19 5.831 -10.937 -3.549 1.00 4.65 H new ATOM 0 HD3 PRO A 19 5.835 -9.643 -2.368 1.00 4.65 H new ATOM 270 N LYS A 20 3.779 -10.602 -6.355 1.00 4.91 N ATOM 271 CA LYS A 20 3.326 -11.248 -7.640 1.00 5.52 C ATOM 272 C LYS A 20 1.816 -11.557 -7.605 1.00 5.00 C ATOM 273 O LYS A 20 1.180 -11.622 -8.641 1.00 5.39 O ATOM 274 CB LYS A 20 4.114 -12.519 -7.932 1.00 6.44 C ATOM 275 CG LYS A 20 4.168 -12.755 -9.445 1.00 7.16 C ATOM 276 CD LYS A 20 5.610 -12.604 -9.939 1.00 7.91 C ATOM 277 CE LYS A 20 5.734 -13.193 -11.347 1.00 8.41 C ATOM 278 NZ LYS A 20 7.174 -13.357 -11.697 1.00 8.95 N ATOM 0 H LYS A 20 4.579 -11.043 -5.902 1.00 4.91 H new ATOM 0 HA LYS A 20 3.516 -10.536 -8.443 1.00 5.52 H new ATOM 0 HB2 LYS A 20 5.124 -12.433 -7.531 1.00 6.44 H new ATOM 0 HB3 LYS A 20 3.646 -13.370 -7.438 1.00 6.44 H new ATOM 0 HG2 LYS A 20 3.795 -13.752 -9.681 1.00 7.16 H new ATOM 0 HG3 LYS A 20 3.521 -12.043 -9.957 1.00 7.16 H new ATOM 0 HD2 LYS A 20 5.894 -11.552 -9.948 1.00 7.91 H new ATOM 0 HD3 LYS A 20 6.293 -13.113 -9.259 1.00 7.91 H new ATOM 0 HE2 LYS A 20 5.226 -14.156 -11.395 1.00 8.41 H new ATOM 0 HE3 LYS A 20 5.246 -12.539 -12.070 1.00 8.41 H new ATOM 0 HZ1 LYS A 20 7.255 -13.757 -12.654 1.00 8.95 H new ATOM 0 HZ2 LYS A 20 7.646 -12.431 -11.668 1.00 8.95 H new ATOM 0 HZ3 LYS A 20 7.626 -13.998 -11.014 1.00 8.95 H new ATOM 292 N PHE A 21 1.228 -11.711 -6.434 1.00 4.37 N ATOM 293 CA PHE A 21 -0.243 -11.967 -6.358 1.00 4.15 C ATOM 294 C PHE A 21 -0.981 -10.770 -6.969 1.00 3.56 C ATOM 295 O PHE A 21 -1.990 -10.915 -7.631 1.00 3.88 O ATOM 296 CB PHE A 21 -0.677 -12.101 -4.901 1.00 4.02 C ATOM 297 CG PHE A 21 0.055 -13.224 -4.194 1.00 4.64 C ATOM 298 CD1 PHE A 21 0.541 -14.331 -4.907 1.00 5.11 C ATOM 299 CD2 PHE A 21 0.236 -13.154 -2.807 1.00 5.12 C ATOM 300 CE1 PHE A 21 1.208 -15.358 -4.229 1.00 5.85 C ATOM 301 CE2 PHE A 21 0.900 -14.184 -2.132 1.00 5.85 C ATOM 302 CZ PHE A 21 1.387 -15.285 -2.843 1.00 6.13 C ATOM 0 H PHE A 21 1.707 -11.670 -5.534 1.00 4.37 H new ATOM 0 HA PHE A 21 -0.475 -12.886 -6.896 1.00 4.15 H new ATOM 0 HB2 PHE A 21 -0.492 -11.162 -4.379 1.00 4.02 H new ATOM 0 HB3 PHE A 21 -1.751 -12.284 -4.857 1.00 4.02 H new ATOM 0 HD1 PHE A 21 0.401 -14.390 -5.976 1.00 5.11 H new ATOM 0 HD2 PHE A 21 -0.138 -12.303 -2.257 1.00 5.12 H new ATOM 0 HE1 PHE A 21 1.585 -16.209 -4.777 1.00 5.85 H new ATOM 0 HE2 PHE A 21 1.036 -14.129 -1.062 1.00 5.85 H new ATOM 0 HZ PHE A 21 1.901 -16.079 -2.322 1.00 6.13 H new ATOM 312 N ILE A 22 -0.463 -9.585 -6.734 1.00 2.94 N ATOM 313 CA ILE A 22 -1.084 -8.336 -7.269 1.00 2.62 C ATOM 314 C ILE A 22 -1.093 -8.368 -8.800 1.00 3.41 C ATOM 315 O ILE A 22 -0.056 -8.375 -9.438 1.00 4.13 O ATOM 316 CB ILE A 22 -0.261 -7.124 -6.797 1.00 2.18 C ATOM 317 CG1 ILE A 22 -0.200 -7.098 -5.265 1.00 2.00 C ATOM 318 CG2 ILE A 22 -0.908 -5.835 -7.298 1.00 2.53 C ATOM 319 CD1 ILE A 22 1.081 -6.388 -4.818 1.00 2.47 C ATOM 0 H ILE A 22 0.381 -9.432 -6.182 1.00 2.94 H new ATOM 0 HA ILE A 22 -2.109 -8.261 -6.906 1.00 2.62 H new ATOM 0 HB ILE A 22 0.749 -7.205 -7.198 1.00 2.18 H new ATOM 0 HG12 ILE A 22 -1.073 -6.583 -4.864 1.00 2.00 H new ATOM 0 HG13 ILE A 22 -0.221 -8.114 -4.872 1.00 2.00 H new ATOM 0 HG21 ILE A 22 -0.322 -4.979 -6.962 1.00 2.53 H new ATOM 0 HG22 ILE A 22 -0.943 -5.845 -8.387 1.00 2.53 H new ATOM 0 HG23 ILE A 22 -1.921 -5.759 -6.903 1.00 2.53 H new ATOM 0 HD11 ILE A 22 1.125 -6.369 -3.729 1.00 2.47 H new ATOM 0 HD12 ILE A 22 1.948 -6.922 -5.207 1.00 2.47 H new ATOM 0 HD13 ILE A 22 1.083 -5.367 -5.199 1.00 2.47 H new ATOM 331 N LYS A 23 -2.262 -8.363 -9.391 1.00 3.62 N ATOM 332 CA LYS A 23 -2.356 -8.363 -10.880 1.00 4.61 C ATOM 333 C LYS A 23 -2.168 -6.926 -11.392 1.00 5.00 C ATOM 334 O LYS A 23 -1.714 -6.713 -12.501 1.00 5.88 O ATOM 335 CB LYS A 23 -3.730 -8.887 -11.313 1.00 5.10 C ATOM 336 CG LYS A 23 -3.657 -9.385 -12.760 1.00 5.85 C ATOM 337 CD LYS A 23 -4.711 -10.471 -12.986 1.00 6.35 C ATOM 338 CE LYS A 23 -4.525 -11.085 -14.376 1.00 6.93 C ATOM 339 NZ LYS A 23 -5.105 -12.458 -14.399 1.00 7.72 N ATOM 0 H LYS A 23 -3.158 -8.359 -8.903 1.00 3.62 H new ATOM 0 HA LYS A 23 -1.582 -9.008 -11.296 1.00 4.61 H new ATOM 0 HB2 LYS A 23 -4.046 -9.696 -10.655 1.00 5.10 H new ATOM 0 HB3 LYS A 23 -4.476 -8.097 -11.227 1.00 5.10 H new ATOM 0 HG2 LYS A 23 -3.822 -8.556 -13.449 1.00 5.85 H new ATOM 0 HG3 LYS A 23 -2.663 -9.780 -12.969 1.00 5.85 H new ATOM 0 HD2 LYS A 23 -4.622 -11.243 -12.221 1.00 6.35 H new ATOM 0 HD3 LYS A 23 -5.711 -10.046 -12.896 1.00 6.35 H new ATOM 0 HE2 LYS A 23 -5.010 -10.462 -15.127 1.00 6.93 H new ATOM 0 HE3 LYS A 23 -3.465 -11.123 -14.629 1.00 6.93 H new ATOM 0 HZ1 LYS A 23 -4.977 -12.873 -15.344 1.00 7.72 H new ATOM 0 HZ2 LYS A 23 -4.623 -13.050 -13.693 1.00 7.72 H new ATOM 0 HZ3 LYS A 23 -6.120 -12.410 -14.176 1.00 7.72 H new ATOM 353 N GLU A 24 -2.509 -5.941 -10.586 1.00 4.51 N ATOM 354 CA GLU A 24 -2.349 -4.516 -11.014 1.00 5.13 C ATOM 355 C GLU A 24 -1.941 -3.667 -9.801 1.00 4.55 C ATOM 356 O GLU A 24 -2.743 -3.413 -8.921 1.00 4.65 O ATOM 357 CB GLU A 24 -3.675 -3.993 -11.577 1.00 5.78 C ATOM 358 CG GLU A 24 -3.859 -4.490 -13.013 1.00 6.35 C ATOM 359 CD GLU A 24 -5.041 -3.766 -13.662 1.00 7.36 C ATOM 360 OE1 GLU A 24 -6.168 -4.082 -13.317 1.00 7.92 O ATOM 361 OE2 GLU A 24 -4.799 -2.907 -14.495 1.00 7.77 O ATOM 0 H GLU A 24 -2.892 -6.068 -9.649 1.00 4.51 H new ATOM 0 HA GLU A 24 -1.581 -4.453 -11.785 1.00 5.13 H new ATOM 0 HB2 GLU A 24 -4.504 -4.332 -10.956 1.00 5.78 H new ATOM 0 HB3 GLU A 24 -3.686 -2.903 -11.555 1.00 5.78 H new ATOM 0 HG2 GLU A 24 -2.951 -4.312 -13.589 1.00 6.35 H new ATOM 0 HG3 GLU A 24 -4.033 -5.566 -13.016 1.00 6.35 H new HETATM 368 N MLE A 25 -0.700 -3.232 -9.738 1.00 4.25 N HETATM 369 CN MLE A 25 -0.068 -2.724 -10.999 1.00 5.13 C HETATM 370 CA MLE A 25 -0.255 -2.408 -8.564 1.00 3.66 C HETATM 371 CB MLE A 25 1.097 -2.920 -8.050 1.00 3.52 C HETATM 372 CG MLE A 25 1.660 -1.939 -7.011 1.00 3.28 C HETATM 373 CD1 MLE A 25 2.239 -2.715 -5.832 1.00 2.93 C HETATM 374 CD2 MLE A 25 2.758 -1.080 -7.654 1.00 3.54 C HETATM 375 C MLE A 25 -0.111 -0.938 -8.979 1.00 4.19 C HETATM 376 O MLE A 25 0.853 -0.558 -9.623 1.00 4.87 O HETATM 0 HD23 MLE A 25 3.560 -1.724 -8.014 1.00 3.54 H new HETATM 0 HD22 MLE A 25 2.339 -0.520 -8.490 1.00 3.54 H new HETATM 0 HD21 MLE A 25 3.156 -0.385 -6.915 1.00 3.54 H new HETATM 0 HD13 MLE A 25 1.455 -3.317 -5.373 1.00 2.93 H new HETATM 0 HD12 MLE A 25 3.039 -3.367 -6.183 1.00 2.93 H new HETATM 0 HD11 MLE A 25 2.638 -2.016 -5.097 1.00 2.93 H new HETATM 0 HN3 MLE A 25 -0.361 -1.687 -11.161 1.00 5.13 H new HETATM 0 HN2 MLE A 25 1.017 -2.785 -10.912 1.00 5.13 H new HETATM 0 HN1 MLE A 25 -0.399 -3.330 -11.842 1.00 5.13 H new HETATM 0 HG MLE A 25 0.858 -1.292 -6.656 1.00 3.28 H new HETATM 0 HB3 MLE A 25 0.977 -3.908 -7.605 1.00 3.52 H new HETATM 0 HB2 MLE A 25 1.796 -3.027 -8.880 1.00 3.52 H new HETATM 0 HA MLE A 25 -1.002 -2.491 -7.775 1.00 3.66 H new ATOM 390 N ARG A 26 -1.047 -0.107 -8.618 1.00 4.14 N ATOM 391 CA ARG A 26 -0.930 1.321 -9.002 1.00 4.79 C ATOM 392 C ARG A 26 -0.890 2.197 -7.743 1.00 4.70 C ATOM 393 O ARG A 26 -1.782 2.151 -6.917 1.00 4.97 O ATOM 394 CB ARG A 26 -2.114 1.720 -9.873 1.00 5.59 C ATOM 395 CG ARG A 26 -1.647 1.945 -11.314 1.00 5.99 C ATOM 396 CD ARG A 26 -2.847 2.327 -12.186 1.00 6.35 C ATOM 397 NE ARG A 26 -2.404 2.516 -13.598 1.00 7.16 N ATOM 398 CZ ARG A 26 -3.289 2.582 -14.558 1.00 7.92 C ATOM 399 NH1 ARG A 26 -3.867 3.723 -14.836 1.00 8.52 N ATOM 400 NH2 ARG A 26 -3.597 1.507 -15.239 1.00 8.32 N ATOM 0 H ARG A 26 -1.878 -0.353 -8.080 1.00 4.14 H new ATOM 0 HA ARG A 26 -0.008 1.465 -9.566 1.00 4.79 H new ATOM 0 HB2 ARG A 26 -2.876 0.941 -9.846 1.00 5.59 H new ATOM 0 HB3 ARG A 26 -2.573 2.629 -9.484 1.00 5.59 H new ATOM 0 HG2 ARG A 26 -0.896 2.734 -11.345 1.00 5.99 H new ATOM 0 HG3 ARG A 26 -1.176 1.041 -11.700 1.00 5.99 H new ATOM 0 HD2 ARG A 26 -3.608 1.548 -12.135 1.00 6.35 H new ATOM 0 HD3 ARG A 26 -3.303 3.244 -11.812 1.00 6.35 H new ATOM 0 HE ARG A 26 -1.410 2.594 -13.814 1.00 7.16 H new ATOM 0 HH11 ARG A 26 -3.627 4.559 -14.304 1.00 8.52 H new ATOM 0 HH12 ARG A 26 -4.558 3.776 -15.585 1.00 8.52 H new ATOM 0 HH21 ARG A 26 -3.147 0.618 -15.020 1.00 8.32 H new ATOM 0 HH22 ARG A 26 -4.287 1.558 -15.988 1.00 8.32 H new ATOM 414 N VAL A 27 0.140 2.992 -7.592 1.00 4.69 N ATOM 415 CA VAL A 27 0.251 3.872 -6.392 1.00 4.83 C ATOM 416 C VAL A 27 -0.203 5.294 -6.749 1.00 4.79 C ATOM 417 O VAL A 27 -0.059 5.734 -7.875 1.00 5.45 O ATOM 418 CB VAL A 27 1.708 3.902 -5.915 1.00 5.66 C ATOM 419 CG1 VAL A 27 2.096 2.529 -5.364 1.00 6.10 C ATOM 420 CG2 VAL A 27 2.645 4.263 -7.078 1.00 6.04 C ATOM 0 H VAL A 27 0.913 3.068 -8.254 1.00 4.69 H new ATOM 0 HA VAL A 27 -0.384 3.482 -5.597 1.00 4.83 H new ATOM 0 HB VAL A 27 1.804 4.656 -5.133 1.00 5.66 H new ATOM 0 HG11 VAL A 27 3.132 2.552 -5.026 1.00 6.10 H new ATOM 0 HG12 VAL A 27 1.446 2.276 -4.526 1.00 6.10 H new ATOM 0 HG13 VAL A 27 1.987 1.779 -6.147 1.00 6.10 H new ATOM 0 HG21 VAL A 27 3.675 4.280 -6.723 1.00 6.04 H new ATOM 0 HG22 VAL A 27 2.546 3.520 -7.869 1.00 6.04 H new ATOM 0 HG23 VAL A 27 2.379 5.246 -7.468 1.00 6.04 H new ATOM 430 N ILE A 28 -0.744 6.017 -5.796 1.00 4.28 N ATOM 431 CA ILE A 28 -1.199 7.412 -6.077 1.00 4.40 C ATOM 432 C ILE A 28 -0.380 8.384 -5.223 1.00 4.70 C ATOM 433 O ILE A 28 -0.298 8.243 -4.016 1.00 5.01 O ATOM 434 CB ILE A 28 -2.691 7.553 -5.743 1.00 4.45 C ATOM 435 CG1 ILE A 28 -3.506 6.611 -6.641 1.00 4.94 C ATOM 436 CG2 ILE A 28 -3.138 9.001 -5.987 1.00 4.49 C ATOM 437 CD1 ILE A 28 -4.993 6.720 -6.291 1.00 5.05 C ATOM 0 H ILE A 28 -0.889 5.699 -4.838 1.00 4.28 H new ATOM 0 HA ILE A 28 -1.054 7.639 -7.133 1.00 4.40 H new ATOM 0 HB ILE A 28 -2.854 7.294 -4.697 1.00 4.45 H new ATOM 0 HG12 ILE A 28 -3.350 6.867 -7.689 1.00 4.94 H new ATOM 0 HG13 ILE A 28 -3.166 5.584 -6.510 1.00 4.94 H new ATOM 0 HG21 ILE A 28 -4.197 9.100 -5.750 1.00 4.49 H new ATOM 0 HG22 ILE A 28 -2.560 9.672 -5.352 1.00 4.49 H new ATOM 0 HG23 ILE A 28 -2.975 9.261 -7.033 1.00 4.49 H new ATOM 0 HD11 ILE A 28 -5.567 6.050 -6.931 1.00 5.05 H new ATOM 0 HD12 ILE A 28 -5.142 6.442 -5.248 1.00 5.05 H new ATOM 0 HD13 ILE A 28 -5.329 7.745 -6.445 1.00 5.05 H new ATOM 449 N GLU A 29 0.229 9.366 -5.845 1.00 5.08 N ATOM 450 CA GLU A 29 1.053 10.356 -5.090 1.00 5.75 C ATOM 451 C GLU A 29 0.156 11.248 -4.221 1.00 5.30 C ATOM 452 O GLU A 29 -1.043 11.051 -4.135 1.00 4.95 O ATOM 453 CB GLU A 29 1.829 11.230 -6.082 1.00 6.63 C ATOM 454 CG GLU A 29 0.853 11.983 -6.999 1.00 7.40 C ATOM 455 CD GLU A 29 1.377 11.966 -8.437 1.00 8.35 C ATOM 456 OE1 GLU A 29 1.343 10.909 -9.049 1.00 8.53 O ATOM 457 OE2 GLU A 29 1.801 13.011 -8.904 1.00 9.09 O ATOM 0 H GLU A 29 0.188 9.523 -6.852 1.00 5.08 H new ATOM 0 HA GLU A 29 1.747 9.818 -4.444 1.00 5.75 H new ATOM 0 HB2 GLU A 29 2.454 11.941 -5.541 1.00 6.63 H new ATOM 0 HB3 GLU A 29 2.497 10.610 -6.680 1.00 6.63 H new ATOM 0 HG2 GLU A 29 -0.133 11.519 -6.956 1.00 7.40 H new ATOM 0 HG3 GLU A 29 0.737 13.011 -6.656 1.00 7.40 H new ATOM 464 N SER A 30 0.736 12.233 -3.584 1.00 5.67 N ATOM 465 CA SER A 30 -0.062 13.154 -2.723 1.00 5.68 C ATOM 466 C SER A 30 -0.439 14.406 -3.522 1.00 6.20 C ATOM 467 O SER A 30 0.174 14.728 -4.525 1.00 6.77 O ATOM 468 CB SER A 30 0.757 13.556 -1.491 1.00 6.35 C ATOM 469 OG SER A 30 2.145 13.552 -1.810 1.00 7.18 O ATOM 0 H SER A 30 1.734 12.439 -3.624 1.00 5.67 H new ATOM 0 HA SER A 30 -0.969 12.645 -2.398 1.00 5.68 H new ATOM 0 HB2 SER A 30 0.456 14.547 -1.151 1.00 6.35 H new ATOM 0 HB3 SER A 30 0.561 12.864 -0.672 1.00 6.35 H new ATOM 0 HG SER A 30 2.531 12.681 -1.580 1.00 7.18 H new ATOM 475 N GLY A 31 -1.448 15.111 -3.080 1.00 6.36 N ATOM 476 CA GLY A 31 -1.891 16.347 -3.795 1.00 7.19 C ATOM 477 C GLY A 31 -3.112 16.934 -3.074 1.00 7.66 C ATOM 478 O GLY A 31 -3.310 16.683 -1.900 1.00 7.75 O ATOM 0 H GLY A 31 -1.989 14.882 -2.247 1.00 6.36 H new ATOM 0 HA2 GLY A 31 -1.082 17.077 -3.820 1.00 7.19 H new ATOM 0 HA3 GLY A 31 -2.142 16.113 -4.830 1.00 7.19 H new ATOM 482 N PRO A 32 -3.917 17.676 -3.805 1.00 8.17 N ATOM 483 CA PRO A 32 -5.150 18.277 -3.254 1.00 8.85 C ATOM 484 C PRO A 32 -6.204 17.175 -3.076 1.00 8.11 C ATOM 485 O PRO A 32 -6.974 17.179 -2.135 1.00 8.52 O ATOM 486 CB PRO A 32 -5.564 19.299 -4.319 1.00 9.69 C ATOM 487 CG PRO A 32 -4.890 18.850 -5.637 1.00 9.20 C ATOM 488 CD PRO A 32 -3.683 17.978 -5.235 1.00 8.39 C ATOM 0 HA PRO A 32 -5.024 18.746 -2.278 1.00 8.85 H new ATOM 0 HB2 PRO A 32 -6.648 19.330 -4.428 1.00 9.69 H new ATOM 0 HB3 PRO A 32 -5.243 20.303 -4.040 1.00 9.69 H new ATOM 0 HG2 PRO A 32 -5.587 18.286 -6.257 1.00 9.20 H new ATOM 0 HG3 PRO A 32 -4.569 19.712 -6.222 1.00 9.20 H new ATOM 0 HD2 PRO A 32 -3.633 17.067 -5.832 1.00 8.39 H new ATOM 0 HD3 PRO A 32 -2.742 18.508 -5.382 1.00 8.39 H new ATOM 496 N HIS A 33 -6.207 16.217 -3.974 1.00 7.21 N ATOM 497 CA HIS A 33 -7.160 15.067 -3.894 1.00 6.64 C ATOM 498 C HIS A 33 -6.936 14.301 -2.579 1.00 5.94 C ATOM 499 O HIS A 33 -7.870 13.813 -1.972 1.00 6.05 O ATOM 500 CB HIS A 33 -6.927 14.111 -5.083 1.00 6.27 C ATOM 501 CG HIS A 33 -5.471 13.702 -5.148 1.00 5.79 C ATOM 502 ND1 HIS A 33 -4.486 14.518 -5.691 1.00 6.54 N ATOM 503 CD2 HIS A 33 -4.818 12.586 -4.693 1.00 4.91 C ATOM 504 CE1 HIS A 33 -3.306 13.891 -5.536 1.00 6.20 C ATOM 505 NE2 HIS A 33 -3.452 12.706 -4.935 1.00 5.23 N ATOM 0 H HIS A 33 -5.575 16.185 -4.774 1.00 7.21 H new ATOM 0 HA HIS A 33 -8.181 15.448 -3.928 1.00 6.64 H new ATOM 0 HB2 HIS A 33 -7.556 13.227 -4.977 1.00 6.27 H new ATOM 0 HB3 HIS A 33 -7.217 14.599 -6.014 1.00 6.27 H new ATOM 0 HD2 HIS A 33 -5.292 11.740 -4.218 1.00 4.91 H new ATOM 0 HE1 HIS A 33 -2.358 14.295 -5.858 1.00 6.20 H new ATOM 0 HE2 HIS A 33 -2.720 12.034 -4.703 1.00 5.23 H new ATOM 513 N CYS A 34 -5.701 14.200 -2.144 1.00 5.51 N ATOM 514 CA CYS A 34 -5.388 13.480 -0.883 1.00 5.12 C ATOM 515 C CYS A 34 -4.026 13.958 -0.364 1.00 5.54 C ATOM 516 O CYS A 34 -3.016 13.823 -1.031 1.00 5.84 O ATOM 517 CB CYS A 34 -5.346 11.971 -1.143 1.00 4.12 C ATOM 518 SG CYS A 34 -6.135 11.099 0.234 1.00 4.37 S ATOM 0 H CYS A 34 -4.890 14.594 -2.622 1.00 5.51 H new ATOM 0 HA CYS A 34 -6.158 13.686 -0.140 1.00 5.12 H new ATOM 0 HB2 CYS A 34 -5.858 11.738 -2.076 1.00 4.12 H new ATOM 0 HB3 CYS A 34 -4.314 11.639 -1.254 1.00 4.12 H new ATOM 523 N ALA A 35 -3.997 14.529 0.817 1.00 5.90 N ATOM 524 CA ALA A 35 -2.709 15.038 1.387 1.00 6.66 C ATOM 525 C ALA A 35 -1.725 13.884 1.616 1.00 6.33 C ATOM 526 O ALA A 35 -0.541 14.015 1.365 1.00 6.77 O ATOM 527 CB ALA A 35 -2.986 15.739 2.721 1.00 7.59 C ATOM 0 H ALA A 35 -4.814 14.665 1.413 1.00 5.90 H new ATOM 0 HA ALA A 35 -2.267 15.740 0.680 1.00 6.66 H new ATOM 0 HB1 ALA A 35 -2.050 16.110 3.138 1.00 7.59 H new ATOM 0 HB2 ALA A 35 -3.668 16.574 2.559 1.00 7.59 H new ATOM 0 HB3 ALA A 35 -3.438 15.032 3.417 1.00 7.59 H new ATOM 533 N ASN A 36 -2.200 12.763 2.098 1.00 5.85 N ATOM 534 CA ASN A 36 -1.292 11.605 2.355 1.00 5.88 C ATOM 535 C ASN A 36 -1.181 10.726 1.104 1.00 5.34 C ATOM 536 O ASN A 36 -2.152 10.493 0.406 1.00 5.26 O ATOM 537 CB ASN A 36 -1.853 10.767 3.510 1.00 6.50 C ATOM 538 CG ASN A 36 -1.347 11.323 4.844 1.00 7.27 C ATOM 539 OD1 ASN A 36 -0.174 11.229 5.149 1.00 7.78 O ATOM 540 ND2 ASN A 36 -2.188 11.901 5.660 1.00 7.61 N ATOM 0 H ASN A 36 -3.181 12.600 2.325 1.00 5.85 H new ATOM 0 HA ASN A 36 -0.303 11.983 2.613 1.00 5.88 H new ATOM 0 HB2 ASN A 36 -2.943 10.783 3.488 1.00 6.50 H new ATOM 0 HB3 ASN A 36 -1.547 9.727 3.399 1.00 6.50 H new ATOM 0 HD21 ASN A 36 -1.860 12.273 6.551 1.00 7.61 H new ATOM 0 HD22 ASN A 36 -3.173 11.981 5.406 1.00 7.61 H new ATOM 547 N THR A 37 0.001 10.222 0.831 1.00 5.30 N ATOM 548 CA THR A 37 0.197 9.334 -0.358 1.00 5.18 C ATOM 549 C THR A 37 -0.401 7.957 -0.041 1.00 4.58 C ATOM 550 O THR A 37 -0.381 7.518 1.097 1.00 4.95 O ATOM 551 CB THR A 37 1.700 9.196 -0.651 1.00 5.98 C ATOM 552 OG1 THR A 37 2.303 10.485 -0.665 1.00 6.76 O ATOM 553 CG2 THR A 37 1.907 8.524 -2.012 1.00 6.31 C ATOM 0 H THR A 37 0.841 10.389 1.384 1.00 5.30 H new ATOM 0 HA THR A 37 -0.296 9.759 -1.232 1.00 5.18 H new ATOM 0 HB THR A 37 2.160 8.585 0.126 1.00 5.98 H new ATOM 0 HG1 THR A 37 3.261 10.396 -0.850 1.00 6.76 H new ATOM 0 HG21 THR A 37 2.974 8.430 -2.213 1.00 6.31 H new ATOM 0 HG22 THR A 37 1.451 7.534 -2.002 1.00 6.31 H new ATOM 0 HG23 THR A 37 1.443 9.129 -2.791 1.00 6.31 H new ATOM 561 N GLU A 38 -0.944 7.275 -1.022 1.00 3.94 N ATOM 562 CA GLU A 38 -1.550 5.938 -0.744 1.00 3.67 C ATOM 563 C GLU A 38 -1.257 4.969 -1.890 1.00 2.99 C ATOM 564 O GLU A 38 -1.425 5.293 -3.051 1.00 3.33 O ATOM 565 CB GLU A 38 -3.067 6.089 -0.585 1.00 4.35 C ATOM 566 CG GLU A 38 -3.582 5.051 0.418 1.00 4.96 C ATOM 567 CD GLU A 38 -3.912 5.737 1.749 1.00 5.76 C ATOM 568 OE1 GLU A 38 -2.991 6.206 2.398 1.00 6.10 O ATOM 569 OE2 GLU A 38 -5.082 5.778 2.097 1.00 6.28 O ATOM 0 H GLU A 38 -0.993 7.584 -1.993 1.00 3.94 H new ATOM 0 HA GLU A 38 -1.117 5.541 0.174 1.00 3.67 H new ATOM 0 HB2 GLU A 38 -3.309 7.094 -0.240 1.00 4.35 H new ATOM 0 HB3 GLU A 38 -3.559 5.955 -1.548 1.00 4.35 H new ATOM 0 HG2 GLU A 38 -4.470 4.558 0.022 1.00 4.96 H new ATOM 0 HG3 GLU A 38 -2.830 4.277 0.573 1.00 4.96 H new ATOM 576 N ILE A 39 -0.838 3.772 -1.561 1.00 2.48 N ATOM 577 CA ILE A 39 -0.551 2.753 -2.610 1.00 2.38 C ATOM 578 C ILE A 39 -1.845 1.976 -2.894 1.00 2.16 C ATOM 579 O ILE A 39 -2.740 1.942 -2.072 1.00 2.22 O ATOM 580 CB ILE A 39 0.542 1.800 -2.088 1.00 2.57 C ATOM 581 CG1 ILE A 39 1.898 2.516 -2.114 1.00 2.79 C ATOM 582 CG2 ILE A 39 0.620 0.538 -2.957 1.00 3.44 C ATOM 583 CD1 ILE A 39 2.334 2.853 -0.686 1.00 2.94 C ATOM 0 H ILE A 39 -0.682 3.458 -0.603 1.00 2.48 H new ATOM 0 HA ILE A 39 -0.202 3.225 -3.529 1.00 2.38 H new ATOM 0 HB ILE A 39 0.292 1.509 -1.068 1.00 2.57 H new ATOM 0 HG12 ILE A 39 2.645 1.882 -2.592 1.00 2.79 H new ATOM 0 HG13 ILE A 39 1.827 3.428 -2.707 1.00 2.79 H new ATOM 0 HG21 ILE A 39 1.398 -0.122 -2.572 1.00 3.44 H new ATOM 0 HG22 ILE A 39 -0.339 0.021 -2.934 1.00 3.44 H new ATOM 0 HG23 ILE A 39 0.857 0.817 -3.984 1.00 3.44 H new ATOM 0 HD11 ILE A 39 3.298 3.361 -0.710 1.00 2.94 H new ATOM 0 HD12 ILE A 39 1.592 3.504 -0.223 1.00 2.94 H new ATOM 0 HD13 ILE A 39 2.423 1.934 -0.106 1.00 2.94 H new ATOM 595 N ILE A 40 -1.957 1.353 -4.043 1.00 2.34 N ATOM 596 CA ILE A 40 -3.194 0.571 -4.352 1.00 2.36 C ATOM 597 C ILE A 40 -2.820 -0.645 -5.197 1.00 2.37 C ATOM 598 O ILE A 40 -2.088 -0.542 -6.161 1.00 3.02 O ATOM 599 CB ILE A 40 -4.214 1.423 -5.120 1.00 3.14 C ATOM 600 CG1 ILE A 40 -4.441 2.753 -4.391 1.00 3.44 C ATOM 601 CG2 ILE A 40 -5.541 0.658 -5.202 1.00 3.70 C ATOM 602 CD1 ILE A 40 -5.200 3.717 -5.304 1.00 4.01 C ATOM 0 H ILE A 40 -1.248 1.353 -4.777 1.00 2.34 H new ATOM 0 HA ILE A 40 -3.647 0.258 -3.411 1.00 2.36 H new ATOM 0 HB ILE A 40 -3.835 1.626 -6.122 1.00 3.14 H new ATOM 0 HG12 ILE A 40 -5.006 2.585 -3.474 1.00 3.44 H new ATOM 0 HG13 ILE A 40 -3.485 3.188 -4.101 1.00 3.44 H new ATOM 0 HG21 ILE A 40 -6.272 1.256 -5.746 1.00 3.70 H new ATOM 0 HG22 ILE A 40 -5.385 -0.287 -5.723 1.00 3.70 H new ATOM 0 HG23 ILE A 40 -5.910 0.461 -4.196 1.00 3.70 H new ATOM 0 HD11 ILE A 40 -5.360 4.661 -4.783 1.00 4.01 H new ATOM 0 HD12 ILE A 40 -4.619 3.895 -6.209 1.00 4.01 H new ATOM 0 HD13 ILE A 40 -6.163 3.282 -5.572 1.00 4.01 H new ATOM 614 N VAL A 41 -3.317 -1.795 -4.834 1.00 2.04 N ATOM 615 CA VAL A 41 -3.008 -3.030 -5.588 1.00 2.10 C ATOM 616 C VAL A 41 -4.305 -3.815 -5.824 1.00 2.33 C ATOM 617 O VAL A 41 -5.313 -3.572 -5.185 1.00 2.79 O ATOM 618 CB VAL A 41 -2.031 -3.881 -4.772 1.00 2.21 C ATOM 619 CG1 VAL A 41 -0.689 -3.158 -4.659 1.00 2.87 C ATOM 620 CG2 VAL A 41 -2.589 -4.138 -3.368 1.00 3.20 C ATOM 0 H VAL A 41 -3.934 -1.927 -4.033 1.00 2.04 H new ATOM 0 HA VAL A 41 -2.558 -2.778 -6.549 1.00 2.10 H new ATOM 0 HB VAL A 41 -1.893 -4.836 -5.279 1.00 2.21 H new ATOM 0 HG11 VAL A 41 0.004 -3.766 -4.078 1.00 2.87 H new ATOM 0 HG12 VAL A 41 -0.279 -2.993 -5.656 1.00 2.87 H new ATOM 0 HG13 VAL A 41 -0.833 -2.198 -4.163 1.00 2.87 H new ATOM 0 HG21 VAL A 41 -1.883 -4.744 -2.801 1.00 3.20 H new ATOM 0 HG22 VAL A 41 -2.742 -3.187 -2.858 1.00 3.20 H new ATOM 0 HG23 VAL A 41 -3.540 -4.666 -3.445 1.00 3.20 H new ATOM 630 N LYS A 42 -4.285 -4.755 -6.731 1.00 2.44 N ATOM 631 CA LYS A 42 -5.507 -5.565 -7.004 1.00 2.97 C ATOM 632 C LYS A 42 -5.111 -7.044 -7.089 1.00 2.77 C ATOM 633 O LYS A 42 -4.604 -7.502 -8.097 1.00 2.98 O ATOM 634 CB LYS A 42 -6.142 -5.117 -8.327 1.00 3.77 C ATOM 635 CG LYS A 42 -7.556 -4.590 -8.067 1.00 4.68 C ATOM 636 CD LYS A 42 -8.320 -4.486 -9.391 1.00 5.42 C ATOM 637 CE LYS A 42 -8.906 -5.854 -9.756 1.00 5.72 C ATOM 638 NZ LYS A 42 -9.879 -5.701 -10.876 1.00 6.76 N ATOM 0 H LYS A 42 -3.471 -4.997 -7.297 1.00 2.44 H new ATOM 0 HA LYS A 42 -6.232 -5.424 -6.202 1.00 2.97 H new ATOM 0 HB2 LYS A 42 -5.533 -4.340 -8.789 1.00 3.77 H new ATOM 0 HB3 LYS A 42 -6.177 -5.953 -9.026 1.00 3.77 H new ATOM 0 HG2 LYS A 42 -8.083 -5.256 -7.383 1.00 4.68 H new ATOM 0 HG3 LYS A 42 -7.508 -3.613 -7.586 1.00 4.68 H new ATOM 0 HD2 LYS A 42 -9.118 -3.749 -9.305 1.00 5.42 H new ATOM 0 HD3 LYS A 42 -7.653 -4.142 -10.181 1.00 5.42 H new ATOM 0 HE2 LYS A 42 -8.107 -6.537 -10.046 1.00 5.72 H new ATOM 0 HE3 LYS A 42 -9.401 -6.292 -8.889 1.00 5.72 H new ATOM 0 HZ1 LYS A 42 -10.275 -6.631 -11.121 1.00 6.76 H new ATOM 0 HZ2 LYS A 42 -10.647 -5.064 -10.584 1.00 6.76 H new ATOM 0 HZ3 LYS A 42 -9.394 -5.302 -11.705 1.00 6.76 H new ATOM 652 N LEU A 43 -5.327 -7.786 -6.028 1.00 3.01 N ATOM 653 CA LEU A 43 -4.960 -9.232 -6.015 1.00 3.31 C ATOM 654 C LEU A 43 -5.655 -9.971 -7.162 1.00 3.92 C ATOM 655 O LEU A 43 -6.793 -9.690 -7.497 1.00 4.54 O ATOM 656 CB LEU A 43 -5.394 -9.853 -4.689 1.00 4.01 C ATOM 657 CG LEU A 43 -4.503 -9.328 -3.553 1.00 3.77 C ATOM 658 CD1 LEU A 43 -5.065 -9.776 -2.202 1.00 4.46 C ATOM 659 CD2 LEU A 43 -3.081 -9.876 -3.717 1.00 3.91 C ATOM 0 H LEU A 43 -5.746 -7.444 -5.163 1.00 3.01 H new ATOM 0 HA LEU A 43 -3.880 -9.320 -6.136 1.00 3.31 H new ATOM 0 HB2 LEU A 43 -6.437 -9.610 -4.487 1.00 4.01 H new ATOM 0 HB3 LEU A 43 -5.325 -10.939 -4.746 1.00 4.01 H new ATOM 0 HG LEU A 43 -4.482 -8.239 -3.593 1.00 3.77 H new ATOM 0 HD11 LEU A 43 -4.429 -9.401 -1.401 1.00 4.46 H new ATOM 0 HD12 LEU A 43 -6.074 -9.382 -2.079 1.00 4.46 H new ATOM 0 HD13 LEU A 43 -5.093 -10.865 -2.163 1.00 4.46 H new ATOM 0 HD21 LEU A 43 -2.451 -9.502 -2.910 1.00 3.91 H new ATOM 0 HD22 LEU A 43 -3.105 -10.965 -3.684 1.00 3.91 H new ATOM 0 HD23 LEU A 43 -2.674 -9.551 -4.675 1.00 3.91 H new ATOM 671 N SER A 44 -4.964 -10.915 -7.754 1.00 3.99 N ATOM 672 CA SER A 44 -5.537 -11.705 -8.885 1.00 4.72 C ATOM 673 C SER A 44 -6.822 -12.422 -8.445 1.00 5.55 C ATOM 674 O SER A 44 -7.692 -12.688 -9.254 1.00 6.08 O ATOM 675 CB SER A 44 -4.513 -12.738 -9.357 1.00 4.98 C ATOM 676 OG SER A 44 -3.439 -12.071 -10.009 1.00 5.08 O ATOM 0 H SER A 44 -4.012 -11.174 -7.496 1.00 3.99 H new ATOM 0 HA SER A 44 -5.777 -11.024 -9.701 1.00 4.72 H new ATOM 0 HB2 SER A 44 -4.139 -13.310 -8.508 1.00 4.98 H new ATOM 0 HB3 SER A 44 -4.983 -13.448 -10.038 1.00 4.98 H new ATOM 0 HG SER A 44 -2.870 -11.636 -9.340 1.00 5.08 H new ATOM 682 N ASP A 45 -6.956 -12.726 -7.172 1.00 5.91 N ATOM 683 CA ASP A 45 -8.187 -13.408 -6.682 1.00 7.02 C ATOM 684 C ASP A 45 -9.407 -12.479 -6.837 1.00 7.25 C ATOM 685 O ASP A 45 -10.538 -12.908 -6.695 1.00 8.19 O ATOM 686 CB ASP A 45 -8.018 -13.773 -5.203 1.00 7.64 C ATOM 687 CG ASP A 45 -7.184 -15.051 -5.082 1.00 8.01 C ATOM 688 OD1 ASP A 45 -7.740 -16.121 -5.276 1.00 7.89 O ATOM 689 OD2 ASP A 45 -6.002 -14.939 -4.795 1.00 8.63 O ATOM 0 H ASP A 45 -6.259 -12.528 -6.454 1.00 5.91 H new ATOM 0 HA ASP A 45 -8.346 -14.312 -7.271 1.00 7.02 H new ATOM 0 HB2 ASP A 45 -7.531 -12.957 -4.670 1.00 7.64 H new ATOM 0 HB3 ASP A 45 -8.994 -13.918 -4.740 1.00 7.64 H new ATOM 694 N GLY A 46 -9.184 -11.212 -7.116 1.00 6.57 N ATOM 695 CA GLY A 46 -10.315 -10.253 -7.269 1.00 7.07 C ATOM 696 C GLY A 46 -10.416 -9.387 -6.011 1.00 6.74 C ATOM 697 O GLY A 46 -11.495 -8.989 -5.613 1.00 7.17 O ATOM 0 H GLY A 46 -8.258 -10.805 -7.244 1.00 6.57 H new ATOM 0 HA2 GLY A 46 -10.158 -9.625 -8.146 1.00 7.07 H new ATOM 0 HA3 GLY A 46 -11.248 -10.795 -7.428 1.00 7.07 H new ATOM 701 N ARG A 47 -9.301 -9.102 -5.376 1.00 6.21 N ATOM 702 CA ARG A 47 -9.330 -8.274 -4.137 1.00 6.07 C ATOM 703 C ARG A 47 -8.692 -6.903 -4.404 1.00 5.32 C ATOM 704 O ARG A 47 -8.000 -6.709 -5.385 1.00 5.06 O ATOM 705 CB ARG A 47 -8.543 -9.004 -3.047 1.00 6.43 C ATOM 706 CG ARG A 47 -8.965 -8.500 -1.666 1.00 7.27 C ATOM 707 CD ARG A 47 -9.104 -9.688 -0.713 1.00 7.96 C ATOM 708 NE ARG A 47 -9.291 -9.193 0.681 1.00 8.82 N ATOM 709 CZ ARG A 47 -10.330 -9.572 1.377 1.00 9.62 C ATOM 710 NH1 ARG A 47 -10.295 -10.697 2.044 1.00 10.15 N ATOM 711 NH2 ARG A 47 -11.405 -8.826 1.405 1.00 10.10 N ATOM 0 H ARG A 47 -8.373 -9.410 -5.667 1.00 6.21 H new ATOM 0 HA ARG A 47 -10.361 -8.122 -3.819 1.00 6.07 H new ATOM 0 HB2 ARG A 47 -8.717 -10.078 -3.119 1.00 6.43 H new ATOM 0 HB3 ARG A 47 -7.474 -8.844 -3.190 1.00 6.43 H new ATOM 0 HG2 ARG A 47 -8.227 -7.796 -1.282 1.00 7.27 H new ATOM 0 HG3 ARG A 47 -9.911 -7.963 -1.736 1.00 7.27 H new ATOM 0 HD2 ARG A 47 -9.953 -10.305 -1.007 1.00 7.96 H new ATOM 0 HD3 ARG A 47 -8.216 -10.318 -0.770 1.00 7.96 H new ATOM 0 HE ARG A 47 -8.607 -8.558 1.092 1.00 8.82 H new ATOM 0 HH11 ARG A 47 -9.457 -11.278 2.021 1.00 10.15 H new ATOM 0 HH12 ARG A 47 -11.106 -10.993 2.587 1.00 10.15 H new ATOM 0 HH21 ARG A 47 -11.431 -7.950 0.884 1.00 10.10 H new ATOM 0 HH22 ARG A 47 -12.216 -9.121 1.948 1.00 10.10 H new ATOM 725 N GLU A 48 -8.914 -5.960 -3.523 1.00 5.24 N ATOM 726 CA GLU A 48 -8.319 -4.602 -3.689 1.00 4.73 C ATOM 727 C GLU A 48 -7.828 -4.124 -2.320 1.00 4.69 C ATOM 728 O GLU A 48 -8.604 -3.984 -1.391 1.00 5.44 O ATOM 729 CB GLU A 48 -9.373 -3.632 -4.231 1.00 5.60 C ATOM 730 CG GLU A 48 -8.678 -2.422 -4.863 1.00 5.76 C ATOM 731 CD GLU A 48 -9.640 -1.719 -5.823 1.00 6.79 C ATOM 732 OE1 GLU A 48 -10.457 -0.944 -5.351 1.00 7.12 O ATOM 733 OE2 GLU A 48 -9.543 -1.965 -7.015 1.00 7.44 O ATOM 0 H GLU A 48 -9.488 -6.076 -2.688 1.00 5.24 H new ATOM 0 HA GLU A 48 -7.489 -4.640 -4.395 1.00 4.73 H new ATOM 0 HB2 GLU A 48 -9.998 -4.133 -4.971 1.00 5.60 H new ATOM 0 HB3 GLU A 48 -10.031 -3.307 -3.426 1.00 5.60 H new ATOM 0 HG2 GLU A 48 -8.354 -1.730 -4.086 1.00 5.76 H new ATOM 0 HG3 GLU A 48 -7.784 -2.742 -5.398 1.00 5.76 H new ATOM 740 N LEU A 49 -6.546 -3.898 -2.181 1.00 4.08 N ATOM 741 CA LEU A 49 -6.004 -3.455 -0.860 1.00 4.35 C ATOM 742 C LEU A 49 -5.048 -2.278 -1.043 1.00 3.99 C ATOM 743 O LEU A 49 -4.077 -2.368 -1.765 1.00 3.87 O ATOM 744 CB LEU A 49 -5.232 -4.611 -0.214 1.00 4.67 C ATOM 745 CG LEU A 49 -5.988 -5.136 1.009 1.00 4.92 C ATOM 746 CD1 LEU A 49 -7.054 -6.138 0.565 1.00 5.51 C ATOM 747 CD2 LEU A 49 -5.002 -5.832 1.949 1.00 4.69 C ATOM 0 H LEU A 49 -5.853 -4.001 -2.922 1.00 4.08 H new ATOM 0 HA LEU A 49 -6.838 -3.151 -0.227 1.00 4.35 H new ATOM 0 HB2 LEU A 49 -5.094 -5.415 -0.937 1.00 4.67 H new ATOM 0 HB3 LEU A 49 -4.238 -4.274 0.081 1.00 4.67 H new ATOM 0 HG LEU A 49 -6.467 -4.303 1.524 1.00 4.92 H new ATOM 0 HD11 LEU A 49 -7.590 -6.510 1.438 1.00 5.51 H new ATOM 0 HD12 LEU A 49 -7.755 -5.648 -0.110 1.00 5.51 H new ATOM 0 HD13 LEU A 49 -6.577 -6.972 0.050 1.00 5.51 H new ATOM 0 HD21 LEU A 49 -5.535 -6.208 2.822 1.00 4.69 H new ATOM 0 HD22 LEU A 49 -4.527 -6.663 1.428 1.00 4.69 H new ATOM 0 HD23 LEU A 49 -4.240 -5.121 2.268 1.00 4.69 H new ATOM 759 N CYS A 50 -5.286 -1.193 -0.357 1.00 3.99 N ATOM 760 CA CYS A 50 -4.360 -0.030 -0.460 1.00 3.63 C ATOM 761 C CYS A 50 -3.235 -0.264 0.538 1.00 3.49 C ATOM 762 O CYS A 50 -3.479 -0.667 1.655 1.00 4.14 O ATOM 763 CB CYS A 50 -5.062 1.278 -0.117 1.00 3.72 C ATOM 764 SG CYS A 50 -6.861 1.104 -0.243 1.00 4.64 S ATOM 0 H CYS A 50 -6.080 -1.062 0.269 1.00 3.99 H new ATOM 0 HA CYS A 50 -3.991 0.051 -1.482 1.00 3.63 H new ATOM 0 HB2 CYS A 50 -4.793 1.585 0.894 1.00 3.72 H new ATOM 0 HB3 CYS A 50 -4.721 2.065 -0.790 1.00 3.72 H new ATOM 769 N LEU A 51 -2.011 -0.052 0.147 1.00 2.91 N ATOM 770 CA LEU A 51 -0.887 -0.304 1.079 1.00 2.96 C ATOM 771 C LEU A 51 -0.466 0.973 1.794 1.00 3.35 C ATOM 772 O LEU A 51 -0.658 2.077 1.315 1.00 3.56 O ATOM 773 CB LEU A 51 0.301 -0.869 0.311 1.00 2.71 C ATOM 774 CG LEU A 51 -0.107 -2.121 -0.488 1.00 2.56 C ATOM 775 CD1 LEU A 51 1.122 -3.004 -0.683 1.00 2.98 C ATOM 776 CD2 LEU A 51 -1.171 -2.928 0.268 1.00 2.61 C ATOM 0 H LEU A 51 -1.743 0.285 -0.778 1.00 2.91 H new ATOM 0 HA LEU A 51 -1.223 -1.023 1.827 1.00 2.96 H new ATOM 0 HB2 LEU A 51 0.694 -0.112 -0.367 1.00 2.71 H new ATOM 0 HB3 LEU A 51 1.102 -1.121 1.006 1.00 2.71 H new ATOM 0 HG LEU A 51 -0.516 -1.804 -1.447 1.00 2.56 H new ATOM 0 HD11 LEU A 51 0.845 -3.894 -1.248 1.00 2.98 H new ATOM 0 HD12 LEU A 51 1.885 -2.450 -1.230 1.00 2.98 H new ATOM 0 HD13 LEU A 51 1.516 -3.300 0.290 1.00 2.98 H new ATOM 0 HD21 LEU A 51 -1.443 -3.807 -0.316 1.00 2.61 H new ATOM 0 HD22 LEU A 51 -0.772 -3.242 1.233 1.00 2.61 H new ATOM 0 HD23 LEU A 51 -2.054 -2.309 0.425 1.00 2.61 H new ATOM 788 N ASP A 52 0.119 0.800 2.947 1.00 3.84 N ATOM 789 CA ASP A 52 0.585 1.952 3.762 1.00 4.35 C ATOM 790 C ASP A 52 2.106 2.105 3.596 1.00 4.47 C ATOM 791 O ASP A 52 2.856 1.203 3.930 1.00 4.73 O ATOM 792 CB ASP A 52 0.250 1.676 5.235 1.00 4.93 C ATOM 793 CG ASP A 52 0.145 2.991 6.019 1.00 5.39 C ATOM 794 OD1 ASP A 52 0.988 3.852 5.827 1.00 5.40 O ATOM 795 OD2 ASP A 52 -0.778 3.112 6.806 1.00 5.96 O ATOM 0 H ASP A 52 0.296 -0.113 3.366 1.00 3.84 H new ATOM 0 HA ASP A 52 0.094 2.870 3.437 1.00 4.35 H new ATOM 0 HB2 ASP A 52 -0.690 1.129 5.304 1.00 4.93 H new ATOM 0 HB3 ASP A 52 1.020 1.043 5.677 1.00 4.93 H new ATOM 800 N PRO A 53 2.522 3.250 3.094 1.00 4.54 N ATOM 801 CA PRO A 53 3.955 3.540 2.874 1.00 4.96 C ATOM 802 C PRO A 53 4.703 3.711 4.207 1.00 5.21 C ATOM 803 O PRO A 53 5.918 3.781 4.231 1.00 5.67 O ATOM 804 CB PRO A 53 3.941 4.835 2.054 1.00 5.26 C ATOM 805 CG PRO A 53 2.568 5.496 2.309 1.00 5.04 C ATOM 806 CD PRO A 53 1.616 4.362 2.729 1.00 4.55 C ATOM 0 HA PRO A 53 4.478 2.732 2.363 1.00 4.96 H new ATOM 0 HB2 PRO A 53 4.753 5.496 2.357 1.00 5.26 H new ATOM 0 HB3 PRO A 53 4.080 4.625 0.994 1.00 5.26 H new ATOM 0 HG2 PRO A 53 2.640 6.253 3.090 1.00 5.04 H new ATOM 0 HG3 PRO A 53 2.205 5.997 1.412 1.00 5.04 H new ATOM 0 HD2 PRO A 53 0.989 4.658 3.570 1.00 4.55 H new ATOM 0 HD3 PRO A 53 0.947 4.081 1.916 1.00 4.55 H new ATOM 814 N LYS A 54 3.993 3.757 5.315 1.00 5.18 N ATOM 815 CA LYS A 54 4.660 3.897 6.638 1.00 5.61 C ATOM 816 C LYS A 54 5.580 2.693 6.882 1.00 5.02 C ATOM 817 O LYS A 54 6.595 2.810 7.545 1.00 5.42 O ATOM 818 CB LYS A 54 3.601 3.960 7.745 1.00 6.23 C ATOM 819 CG LYS A 54 3.255 5.423 8.044 1.00 7.12 C ATOM 820 CD LYS A 54 1.840 5.512 8.625 1.00 7.85 C ATOM 821 CE LYS A 54 1.854 5.065 10.089 1.00 8.63 C ATOM 822 NZ LYS A 54 0.593 5.497 10.758 1.00 9.56 N ATOM 0 H LYS A 54 2.975 3.703 5.351 1.00 5.18 H new ATOM 0 HA LYS A 54 5.250 4.813 6.647 1.00 5.61 H new ATOM 0 HB2 LYS A 54 2.706 3.420 7.437 1.00 6.23 H new ATOM 0 HB3 LYS A 54 3.973 3.472 8.646 1.00 6.23 H new ATOM 0 HG2 LYS A 54 3.974 5.840 8.749 1.00 7.12 H new ATOM 0 HG3 LYS A 54 3.322 6.016 7.132 1.00 7.12 H new ATOM 0 HD2 LYS A 54 1.470 6.534 8.550 1.00 7.85 H new ATOM 0 HD3 LYS A 54 1.160 4.884 8.049 1.00 7.85 H new ATOM 0 HE2 LYS A 54 1.955 3.981 10.148 1.00 8.63 H new ATOM 0 HE3 LYS A 54 2.715 5.494 10.602 1.00 8.63 H new ATOM 0 HZ1 LYS A 54 0.605 5.192 11.752 1.00 9.56 H new ATOM 0 HZ2 LYS A 54 0.514 6.533 10.715 1.00 9.56 H new ATOM 0 HZ3 LYS A 54 -0.221 5.068 10.274 1.00 9.56 H new ATOM 836 N GLU A 55 5.242 1.539 6.345 1.00 4.37 N ATOM 837 CA GLU A 55 6.097 0.341 6.541 1.00 4.14 C ATOM 838 C GLU A 55 7.227 0.343 5.521 1.00 3.84 C ATOM 839 O GLU A 55 7.189 1.045 4.526 1.00 3.83 O ATOM 840 CB GLU A 55 5.271 -0.923 6.321 1.00 4.19 C ATOM 841 CG GLU A 55 4.208 -1.054 7.410 1.00 4.76 C ATOM 842 CD GLU A 55 2.865 -0.535 6.885 1.00 5.39 C ATOM 843 OE1 GLU A 55 2.319 -1.158 5.988 1.00 5.43 O ATOM 844 OE2 GLU A 55 2.408 0.478 7.389 1.00 6.13 O ATOM 0 H GLU A 55 4.407 1.385 5.780 1.00 4.37 H new ATOM 0 HA GLU A 55 6.498 0.363 7.554 1.00 4.14 H new ATOM 0 HB2 GLU A 55 4.796 -0.890 5.341 1.00 4.19 H new ATOM 0 HB3 GLU A 55 5.921 -1.798 6.330 1.00 4.19 H new ATOM 0 HG2 GLU A 55 4.112 -2.096 7.715 1.00 4.76 H new ATOM 0 HG3 GLU A 55 4.507 -0.490 8.293 1.00 4.76 H new ATOM 851 N ASN A 56 8.210 -0.477 5.748 1.00 3.90 N ATOM 852 CA ASN A 56 9.341 -0.586 4.790 1.00 3.93 C ATOM 853 C ASN A 56 9.038 -1.710 3.794 1.00 3.74 C ATOM 854 O ASN A 56 9.658 -1.806 2.753 1.00 3.89 O ATOM 855 CB ASN A 56 10.623 -0.899 5.544 1.00 4.29 C ATOM 856 CG ASN A 56 11.611 0.263 5.398 1.00 4.70 C ATOM 857 OD1 ASN A 56 11.273 1.401 5.658 1.00 4.90 O ATOM 858 ND2 ASN A 56 12.830 0.022 4.995 1.00 5.15 N ATOM 0 H ASN A 56 8.279 -1.083 6.565 1.00 3.90 H new ATOM 0 HA ASN A 56 9.466 0.356 4.256 1.00 3.93 H new ATOM 0 HB2 ASN A 56 10.403 -1.070 6.598 1.00 4.29 H new ATOM 0 HB3 ASN A 56 11.067 -1.816 5.158 1.00 4.29 H new ATOM 0 HD21 ASN A 56 13.496 0.788 4.899 1.00 5.15 H new ATOM 0 HD22 ASN A 56 13.116 -0.932 4.776 1.00 5.15 H new ATOM 865 N TRP A 57 8.082 -2.562 4.108 1.00 3.55 N ATOM 866 CA TRP A 57 7.730 -3.670 3.195 1.00 3.47 C ATOM 867 C TRP A 57 6.822 -3.150 2.085 1.00 3.28 C ATOM 868 O TRP A 57 6.945 -3.549 0.954 1.00 3.48 O ATOM 869 CB TRP A 57 7.053 -4.799 3.985 1.00 3.64 C ATOM 870 CG TRP A 57 5.637 -4.480 4.345 1.00 3.70 C ATOM 871 CD1 TRP A 57 5.239 -4.072 5.558 1.00 4.08 C ATOM 872 CD2 TRP A 57 4.432 -4.561 3.526 1.00 3.51 C ATOM 873 NE1 TRP A 57 3.868 -3.928 5.554 1.00 4.20 N ATOM 874 CE2 TRP A 57 3.326 -4.199 4.325 1.00 3.80 C ATOM 875 CE3 TRP A 57 4.192 -4.910 2.188 1.00 3.27 C ATOM 876 CZ2 TRP A 57 2.026 -4.183 3.821 1.00 3.76 C ATOM 877 CZ3 TRP A 57 2.887 -4.891 1.673 1.00 3.17 C ATOM 878 CH2 TRP A 57 1.805 -4.527 2.487 1.00 3.38 C ATOM 0 H TRP A 57 7.535 -2.524 4.968 1.00 3.55 H new ATOM 0 HA TRP A 57 8.634 -4.072 2.737 1.00 3.47 H new ATOM 0 HB2 TRP A 57 7.076 -5.715 3.395 1.00 3.64 H new ATOM 0 HB3 TRP A 57 7.621 -4.992 4.895 1.00 3.64 H new ATOM 0 HD1 TRP A 57 5.887 -3.886 6.402 1.00 4.08 H new ATOM 0 HE1 TRP A 57 3.321 -3.652 6.370 1.00 4.20 H new ATOM 0 HE3 TRP A 57 5.016 -5.195 1.551 1.00 3.27 H new ATOM 0 HZ2 TRP A 57 1.198 -3.907 4.457 1.00 3.76 H new ATOM 0 HZ3 TRP A 57 2.715 -5.159 0.641 1.00 3.17 H new ATOM 0 HH2 TRP A 57 0.804 -4.513 2.083 1.00 3.38 H new ATOM 889 N VAL A 58 5.923 -2.255 2.399 1.00 3.02 N ATOM 890 CA VAL A 58 5.022 -1.698 1.342 1.00 2.84 C ATOM 891 C VAL A 58 5.873 -0.924 0.326 1.00 2.99 C ATOM 892 O VAL A 58 5.672 -1.027 -0.870 1.00 3.21 O ATOM 893 CB VAL A 58 3.995 -0.758 1.989 1.00 2.78 C ATOM 894 CG1 VAL A 58 3.474 0.260 0.969 1.00 2.80 C ATOM 895 CG2 VAL A 58 2.824 -1.571 2.526 1.00 2.85 C ATOM 0 H VAL A 58 5.772 -1.885 3.338 1.00 3.02 H new ATOM 0 HA VAL A 58 4.493 -2.506 0.837 1.00 2.84 H new ATOM 0 HB VAL A 58 4.483 -0.224 2.804 1.00 2.78 H new ATOM 0 HG11 VAL A 58 2.748 0.916 1.448 1.00 2.80 H new ATOM 0 HG12 VAL A 58 4.306 0.854 0.591 1.00 2.80 H new ATOM 0 HG13 VAL A 58 2.998 -0.265 0.141 1.00 2.80 H new ATOM 0 HG21 VAL A 58 2.096 -0.902 2.985 1.00 2.85 H new ATOM 0 HG22 VAL A 58 2.352 -2.114 1.707 1.00 2.85 H new ATOM 0 HG23 VAL A 58 3.185 -2.280 3.271 1.00 2.85 H new ATOM 905 N GLN A 59 6.824 -0.153 0.800 1.00 3.12 N ATOM 906 CA GLN A 59 7.695 0.627 -0.124 1.00 3.61 C ATOM 907 C GLN A 59 8.707 -0.302 -0.811 1.00 3.90 C ATOM 908 O GLN A 59 9.129 -0.046 -1.923 1.00 4.47 O ATOM 909 CB GLN A 59 8.420 1.720 0.661 1.00 3.82 C ATOM 910 CG GLN A 59 9.289 1.074 1.728 1.00 4.33 C ATOM 911 CD GLN A 59 10.005 2.154 2.546 1.00 4.72 C ATOM 912 OE1 GLN A 59 11.169 2.426 2.327 1.00 4.84 O ATOM 913 NE2 GLN A 59 9.356 2.783 3.490 1.00 5.29 N ATOM 0 H GLN A 59 7.031 -0.033 1.791 1.00 3.12 H new ATOM 0 HA GLN A 59 7.079 1.091 -0.894 1.00 3.61 H new ATOM 0 HB2 GLN A 59 9.033 2.321 -0.010 1.00 3.82 H new ATOM 0 HB3 GLN A 59 7.698 2.394 1.122 1.00 3.82 H new ATOM 0 HG2 GLN A 59 8.675 0.457 2.384 1.00 4.33 H new ATOM 0 HG3 GLN A 59 10.021 0.414 1.262 1.00 4.33 H new ATOM 0 HE21 GLN A 59 8.379 2.556 3.675 1.00 5.29 H new ATOM 0 HE22 GLN A 59 9.827 3.501 4.041 1.00 5.29 H new ATOM 922 N ARG A 60 9.083 -1.388 -0.172 1.00 3.65 N ATOM 923 CA ARG A 60 10.043 -2.337 -0.806 1.00 3.97 C ATOM 924 C ARG A 60 9.262 -3.250 -1.753 1.00 3.96 C ATOM 925 O ARG A 60 9.724 -3.586 -2.825 1.00 4.42 O ATOM 926 CB ARG A 60 10.739 -3.176 0.270 1.00 4.07 C ATOM 927 CG ARG A 60 11.986 -2.439 0.766 1.00 4.60 C ATOM 928 CD ARG A 60 12.794 -3.356 1.688 1.00 4.81 C ATOM 929 NE ARG A 60 14.249 -3.214 1.388 1.00 5.26 N ATOM 930 CZ ARG A 60 15.093 -4.122 1.803 1.00 5.84 C ATOM 931 NH1 ARG A 60 15.176 -5.271 1.182 1.00 6.25 N ATOM 932 NH2 ARG A 60 15.854 -3.880 2.840 1.00 6.35 N ATOM 0 H ARG A 60 8.764 -1.653 0.760 1.00 3.65 H new ATOM 0 HA ARG A 60 10.803 -1.785 -1.358 1.00 3.97 H new ATOM 0 HB2 ARG A 60 10.057 -3.359 1.101 1.00 4.07 H new ATOM 0 HB3 ARG A 60 11.016 -4.149 -0.135 1.00 4.07 H new ATOM 0 HG2 ARG A 60 12.598 -2.128 -0.081 1.00 4.60 H new ATOM 0 HG3 ARG A 60 11.697 -1.534 1.300 1.00 4.60 H new ATOM 0 HD2 ARG A 60 12.601 -3.102 2.730 1.00 4.81 H new ATOM 0 HD3 ARG A 60 12.484 -4.392 1.550 1.00 4.81 H new ATOM 0 HE ARG A 60 14.585 -2.409 0.859 1.00 5.26 H new ATOM 0 HH11 ARG A 60 14.582 -5.458 0.374 1.00 6.25 H new ATOM 0 HH12 ARG A 60 15.835 -5.979 1.506 1.00 6.25 H new ATOM 0 HH21 ARG A 60 15.788 -2.984 3.323 1.00 6.35 H new ATOM 0 HH22 ARG A 60 16.513 -4.587 3.165 1.00 6.35 H new ATOM 946 N VAL A 61 8.066 -3.635 -1.364 1.00 3.58 N ATOM 947 CA VAL A 61 7.220 -4.505 -2.231 1.00 3.55 C ATOM 948 C VAL A 61 6.879 -3.746 -3.522 1.00 3.25 C ATOM 949 O VAL A 61 6.887 -4.311 -4.599 1.00 3.52 O ATOM 950 CB VAL A 61 5.933 -4.873 -1.469 1.00 3.59 C ATOM 951 CG1 VAL A 61 4.836 -5.313 -2.441 1.00 3.56 C ATOM 952 CG2 VAL A 61 6.231 -6.017 -0.495 1.00 4.31 C ATOM 0 H VAL A 61 7.641 -3.378 -0.473 1.00 3.58 H new ATOM 0 HA VAL A 61 7.755 -5.419 -2.488 1.00 3.55 H new ATOM 0 HB VAL A 61 5.587 -3.995 -0.924 1.00 3.59 H new ATOM 0 HG11 VAL A 61 3.936 -5.568 -1.882 1.00 3.56 H new ATOM 0 HG12 VAL A 61 4.615 -4.500 -3.133 1.00 3.56 H new ATOM 0 HG13 VAL A 61 5.175 -6.184 -3.001 1.00 3.56 H new ATOM 0 HG21 VAL A 61 5.322 -6.280 0.046 1.00 4.31 H new ATOM 0 HG22 VAL A 61 6.587 -6.885 -1.051 1.00 4.31 H new ATOM 0 HG23 VAL A 61 6.997 -5.701 0.214 1.00 4.31 H new ATOM 962 N VAL A 62 6.599 -2.467 -3.418 1.00 2.99 N ATOM 963 CA VAL A 62 6.277 -1.663 -4.638 1.00 3.22 C ATOM 964 C VAL A 62 7.551 -1.503 -5.482 1.00 3.80 C ATOM 965 O VAL A 62 7.517 -1.621 -6.693 1.00 4.15 O ATOM 966 CB VAL A 62 5.740 -0.284 -4.221 1.00 3.53 C ATOM 967 CG1 VAL A 62 5.645 0.635 -5.444 1.00 4.40 C ATOM 968 CG2 VAL A 62 4.345 -0.444 -3.604 1.00 3.34 C ATOM 0 H VAL A 62 6.580 -1.947 -2.541 1.00 2.99 H new ATOM 0 HA VAL A 62 5.514 -2.172 -5.228 1.00 3.22 H new ATOM 0 HB VAL A 62 6.421 0.155 -3.492 1.00 3.53 H new ATOM 0 HG11 VAL A 62 5.264 1.609 -5.138 1.00 4.40 H new ATOM 0 HG12 VAL A 62 6.634 0.755 -5.887 1.00 4.40 H new ATOM 0 HG13 VAL A 62 4.970 0.195 -6.178 1.00 4.40 H new ATOM 0 HG21 VAL A 62 3.964 0.533 -3.308 1.00 3.34 H new ATOM 0 HG22 VAL A 62 3.672 -0.889 -4.337 1.00 3.34 H new ATOM 0 HG23 VAL A 62 4.406 -1.090 -2.728 1.00 3.34 H new ATOM 978 N GLU A 63 8.675 -1.244 -4.848 1.00 4.04 N ATOM 979 CA GLU A 63 9.954 -1.086 -5.599 1.00 4.68 C ATOM 980 C GLU A 63 10.346 -2.426 -6.238 1.00 4.70 C ATOM 981 O GLU A 63 10.837 -2.467 -7.348 1.00 5.23 O ATOM 982 CB GLU A 63 11.061 -0.626 -4.642 1.00 5.11 C ATOM 983 CG GLU A 63 11.875 0.500 -5.291 1.00 5.73 C ATOM 984 CD GLU A 63 13.039 -0.097 -6.087 1.00 6.00 C ATOM 985 OE1 GLU A 63 14.015 -0.491 -5.470 1.00 6.04 O ATOM 986 OE2 GLU A 63 12.935 -0.147 -7.301 1.00 6.46 O ATOM 0 H GLU A 63 8.755 -1.136 -3.837 1.00 4.04 H new ATOM 0 HA GLU A 63 9.822 -0.339 -6.382 1.00 4.68 H new ATOM 0 HB2 GLU A 63 10.624 -0.278 -3.706 1.00 5.11 H new ATOM 0 HB3 GLU A 63 11.714 -1.464 -4.397 1.00 5.11 H new ATOM 0 HG2 GLU A 63 11.237 1.090 -5.949 1.00 5.73 H new ATOM 0 HG3 GLU A 63 12.255 1.176 -4.525 1.00 5.73 H new ATOM 993 N LYS A 64 10.123 -3.521 -5.548 1.00 4.35 N ATOM 994 CA LYS A 64 10.466 -4.857 -6.111 1.00 4.71 C ATOM 995 C LYS A 64 9.424 -5.271 -7.168 1.00 4.54 C ATOM 996 O LYS A 64 9.613 -6.235 -7.886 1.00 5.00 O ATOM 997 CB LYS A 64 10.487 -5.892 -4.982 1.00 4.74 C ATOM 998 CG LYS A 64 11.465 -7.017 -5.332 1.00 5.62 C ATOM 999 CD LYS A 64 11.977 -7.672 -4.046 1.00 6.24 C ATOM 1000 CE LYS A 64 10.909 -8.618 -3.488 1.00 7.07 C ATOM 1001 NZ LYS A 64 11.064 -9.968 -4.104 1.00 7.79 N ATOM 0 H LYS A 64 9.715 -3.541 -4.613 1.00 4.35 H new ATOM 0 HA LYS A 64 11.447 -4.805 -6.583 1.00 4.71 H new ATOM 0 HB2 LYS A 64 10.783 -5.418 -4.046 1.00 4.74 H new ATOM 0 HB3 LYS A 64 9.488 -6.300 -4.831 1.00 4.74 H new ATOM 0 HG2 LYS A 64 10.971 -7.760 -5.959 1.00 5.62 H new ATOM 0 HG3 LYS A 64 12.301 -6.620 -5.907 1.00 5.62 H new ATOM 0 HD2 LYS A 64 12.895 -8.223 -4.248 1.00 6.24 H new ATOM 0 HD3 LYS A 64 12.220 -6.907 -3.309 1.00 6.24 H new ATOM 0 HE2 LYS A 64 11.002 -8.689 -2.404 1.00 7.07 H new ATOM 0 HE3 LYS A 64 9.915 -8.224 -3.697 1.00 7.07 H new ATOM 0 HZ1 LYS A 64 10.338 -10.608 -3.724 1.00 7.79 H new ATOM 0 HZ2 LYS A 64 10.954 -9.894 -5.136 1.00 7.79 H new ATOM 0 HZ3 LYS A 64 12.008 -10.344 -3.883 1.00 7.79 H new ATOM 1015 N PHE A 65 8.327 -4.552 -7.264 1.00 4.02 N ATOM 1016 CA PHE A 65 7.270 -4.891 -8.263 1.00 3.99 C ATOM 1017 C PHE A 65 7.510 -4.106 -9.558 1.00 4.72 C ATOM 1018 O PHE A 65 7.361 -4.631 -10.646 1.00 5.31 O ATOM 1019 CB PHE A 65 5.908 -4.501 -7.683 1.00 3.16 C ATOM 1020 CG PHE A 65 4.804 -5.288 -8.353 1.00 3.02 C ATOM 1021 CD1 PHE A 65 4.754 -6.684 -8.232 1.00 3.45 C ATOM 1022 CD2 PHE A 65 3.826 -4.617 -9.094 1.00 2.97 C ATOM 1023 CE1 PHE A 65 3.723 -7.402 -8.853 1.00 3.48 C ATOM 1024 CE2 PHE A 65 2.798 -5.334 -9.715 1.00 3.10 C ATOM 1025 CZ PHE A 65 2.747 -6.727 -9.594 1.00 3.19 C ATOM 0 H PHE A 65 8.121 -3.738 -6.685 1.00 4.02 H new ATOM 0 HA PHE A 65 7.297 -5.959 -8.481 1.00 3.99 H new ATOM 0 HB2 PHE A 65 5.896 -4.688 -6.609 1.00 3.16 H new ATOM 0 HB3 PHE A 65 5.738 -3.433 -7.823 1.00 3.16 H new ATOM 0 HD1 PHE A 65 5.509 -7.205 -7.661 1.00 3.45 H new ATOM 0 HD2 PHE A 65 3.865 -3.542 -9.187 1.00 2.97 H new ATOM 0 HE1 PHE A 65 3.682 -8.477 -8.759 1.00 3.48 H new ATOM 0 HE2 PHE A 65 2.045 -4.813 -10.287 1.00 3.10 H new ATOM 0 HZ PHE A 65 1.954 -7.282 -10.073 1.00 3.19 H new ATOM 1035 N LEU A 66 7.867 -2.849 -9.444 1.00 4.92 N ATOM 1036 CA LEU A 66 8.104 -2.011 -10.664 1.00 5.86 C ATOM 1037 C LEU A 66 9.612 -1.900 -10.965 1.00 6.61 C ATOM 1038 O LEU A 66 10.006 -1.870 -12.115 1.00 7.33 O ATOM 1039 CB LEU A 66 7.520 -0.613 -10.425 1.00 6.18 C ATOM 1040 CG LEU A 66 7.397 0.145 -11.751 1.00 7.14 C ATOM 1041 CD1 LEU A 66 6.517 -0.644 -12.727 1.00 7.61 C ATOM 1042 CD2 LEU A 66 6.761 1.513 -11.491 1.00 7.67 C ATOM 0 H LEU A 66 8.005 -2.365 -8.557 1.00 4.92 H new ATOM 0 HA LEU A 66 7.619 -2.480 -11.520 1.00 5.86 H new ATOM 0 HB2 LEU A 66 6.541 -0.696 -9.953 1.00 6.18 H new ATOM 0 HB3 LEU A 66 8.158 -0.057 -9.738 1.00 6.18 H new ATOM 0 HG LEU A 66 8.389 0.271 -12.186 1.00 7.14 H new ATOM 0 HD11 LEU A 66 6.435 -0.098 -13.667 1.00 7.61 H new ATOM 0 HD12 LEU A 66 6.965 -1.620 -12.913 1.00 7.61 H new ATOM 0 HD13 LEU A 66 5.524 -0.776 -12.297 1.00 7.61 H new ATOM 0 HD21 LEU A 66 6.671 2.057 -12.431 1.00 7.67 H new ATOM 0 HD22 LEU A 66 5.772 1.377 -11.054 1.00 7.67 H new ATOM 0 HD23 LEU A 66 7.387 2.080 -10.802 1.00 7.67 H new ATOM 1054 N LYS A 67 10.438 -1.836 -9.936 1.00 6.57 N ATOM 1055 CA LYS A 67 11.937 -1.719 -10.094 1.00 7.47 C ATOM 1056 C LYS A 67 12.329 -0.892 -11.332 1.00 7.85 C ATOM 1057 O LYS A 67 12.637 -1.431 -12.382 1.00 8.14 O ATOM 1058 CB LYS A 67 12.606 -3.107 -10.160 1.00 7.84 C ATOM 1059 CG LYS A 67 11.843 -4.048 -11.093 1.00 8.78 C ATOM 1060 CD LYS A 67 10.774 -4.784 -10.288 1.00 9.42 C ATOM 1061 CE LYS A 67 10.548 -6.179 -10.882 1.00 10.12 C ATOM 1062 NZ LYS A 67 9.524 -6.106 -11.964 1.00 10.40 N ATOM 0 H LYS A 67 10.127 -1.861 -8.965 1.00 6.57 H new ATOM 0 HA LYS A 67 12.298 -1.194 -9.209 1.00 7.47 H new ATOM 0 HB2 LYS A 67 13.634 -3.001 -10.507 1.00 7.84 H new ATOM 0 HB3 LYS A 67 12.650 -3.540 -9.160 1.00 7.84 H new ATOM 0 HG2 LYS A 67 11.382 -3.483 -11.903 1.00 8.78 H new ATOM 0 HG3 LYS A 67 12.528 -4.762 -11.551 1.00 8.78 H new ATOM 0 HD2 LYS A 67 11.083 -4.868 -9.246 1.00 9.42 H new ATOM 0 HD3 LYS A 67 9.842 -4.218 -10.300 1.00 9.42 H new ATOM 0 HE2 LYS A 67 11.484 -6.571 -11.280 1.00 10.12 H new ATOM 0 HE3 LYS A 67 10.220 -6.867 -10.103 1.00 10.12 H new ATOM 0 HZ1 LYS A 67 9.249 -7.068 -12.248 1.00 10.40 H new ATOM 0 HZ2 LYS A 67 8.687 -5.595 -11.616 1.00 10.40 H new ATOM 0 HZ3 LYS A 67 9.920 -5.603 -12.784 1.00 10.40 H new ATOM 1076 N ARG A 68 12.341 0.413 -11.207 1.00 8.12 N ATOM 1077 CA ARG A 68 12.733 1.281 -12.363 1.00 8.78 C ATOM 1078 C ARG A 68 13.500 2.511 -11.852 1.00 8.99 C ATOM 1079 O ARG A 68 13.844 2.599 -10.687 1.00 8.81 O ATOM 1080 CB ARG A 68 11.482 1.718 -13.140 1.00 9.33 C ATOM 1081 CG ARG A 68 10.508 2.456 -12.216 1.00 9.61 C ATOM 1082 CD ARG A 68 9.224 2.779 -12.985 1.00 10.05 C ATOM 1083 NE ARG A 68 9.520 3.749 -14.080 1.00 10.53 N ATOM 1084 CZ ARG A 68 8.819 3.726 -15.183 1.00 10.90 C ATOM 1085 NH1 ARG A 68 7.579 4.143 -15.181 1.00 11.35 N ATOM 1086 NH2 ARG A 68 9.360 3.286 -16.291 1.00 11.02 N ATOM 0 H ARG A 68 12.096 0.916 -10.354 1.00 8.12 H new ATOM 0 HA ARG A 68 13.380 0.715 -13.034 1.00 8.78 H new ATOM 0 HB2 ARG A 68 11.769 2.366 -13.968 1.00 9.33 H new ATOM 0 HB3 ARG A 68 10.992 0.846 -13.573 1.00 9.33 H new ATOM 0 HG2 ARG A 68 10.279 1.841 -11.345 1.00 9.61 H new ATOM 0 HG3 ARG A 68 10.965 3.374 -11.847 1.00 9.61 H new ATOM 0 HD2 ARG A 68 8.799 1.866 -13.401 1.00 10.05 H new ATOM 0 HD3 ARG A 68 8.479 3.197 -12.308 1.00 10.05 H new ATOM 0 HE ARG A 68 10.270 4.431 -13.967 1.00 10.53 H new ATOM 0 HH11 ARG A 68 7.158 4.487 -14.318 1.00 11.35 H new ATOM 0 HH12 ARG A 68 7.033 4.124 -16.043 1.00 11.35 H new ATOM 0 HH21 ARG A 68 10.327 2.962 -16.293 1.00 11.02 H new ATOM 0 HH22 ARG A 68 8.814 3.267 -17.153 1.00 11.02 H new ATOM 1100 N ALA A 69 13.782 3.453 -12.721 1.00 9.61 N ATOM 1101 CA ALA A 69 14.539 4.673 -12.298 1.00 10.14 C ATOM 1102 C ALA A 69 13.593 5.670 -11.612 1.00 10.89 C ATOM 1103 O ALA A 69 13.681 5.889 -10.418 1.00 11.20 O ATOM 1104 CB ALA A 69 15.181 5.332 -13.524 1.00 10.08 C ATOM 0 H ALA A 69 13.520 3.429 -13.706 1.00 9.61 H new ATOM 0 HA ALA A 69 15.318 4.381 -11.594 1.00 10.14 H new ATOM 0 HB1 ALA A 69 15.732 6.220 -13.213 1.00 10.08 H new ATOM 0 HB2 ALA A 69 15.865 4.629 -13.999 1.00 10.08 H new ATOM 0 HB3 ALA A 69 14.404 5.617 -14.233 1.00 10.08 H new ATOM 1110 N GLU A 70 12.701 6.280 -12.358 1.00 11.37 N ATOM 1111 CA GLU A 70 11.755 7.271 -11.752 1.00 12.24 C ATOM 1112 C GLU A 70 10.307 6.799 -11.969 1.00 12.45 C ATOM 1113 O GLU A 70 10.054 5.621 -12.125 1.00 12.32 O ATOM 1114 CB GLU A 70 11.969 8.642 -12.412 1.00 12.79 C ATOM 1115 CG GLU A 70 13.424 9.089 -12.218 1.00 12.48 C ATOM 1116 CD GLU A 70 13.779 10.149 -13.263 1.00 13.18 C ATOM 1117 OE1 GLU A 70 14.230 9.772 -14.333 1.00 13.39 O ATOM 1118 OE2 GLU A 70 13.594 11.320 -12.977 1.00 13.63 O ATOM 0 H GLU A 70 12.588 6.134 -13.361 1.00 11.37 H new ATOM 0 HA GLU A 70 11.942 7.355 -10.681 1.00 12.24 H new ATOM 0 HB2 GLU A 70 11.735 8.585 -13.475 1.00 12.79 H new ATOM 0 HB3 GLU A 70 11.292 9.376 -11.975 1.00 12.79 H new ATOM 0 HG2 GLU A 70 13.560 9.493 -11.215 1.00 12.48 H new ATOM 0 HG3 GLU A 70 14.093 8.234 -12.311 1.00 12.48 H new ATOM 1125 N ASN A 71 9.354 7.705 -11.970 1.00 12.96 N ATOM 1126 CA ASN A 71 7.927 7.301 -12.171 1.00 13.39 C ATOM 1127 C ASN A 71 7.116 8.498 -12.686 1.00 13.77 C ATOM 1128 O ASN A 71 7.529 9.637 -12.558 1.00 13.98 O ATOM 1129 CB ASN A 71 7.336 6.810 -10.840 1.00 13.14 C ATOM 1130 CG ASN A 71 7.532 7.873 -9.752 1.00 12.70 C ATOM 1131 OD1 ASN A 71 6.687 8.725 -9.561 1.00 12.77 O ATOM 1132 ND2 ASN A 71 8.617 7.856 -9.025 1.00 12.41 N ATOM 0 H ASN A 71 9.505 8.705 -11.840 1.00 12.96 H new ATOM 0 HA ASN A 71 7.882 6.496 -12.904 1.00 13.39 H new ATOM 0 HB2 ASN A 71 6.274 6.595 -10.962 1.00 13.14 H new ATOM 0 HB3 ASN A 71 7.818 5.879 -10.541 1.00 13.14 H new ATOM 0 HD21 ASN A 71 8.754 8.558 -8.298 1.00 12.41 H new ATOM 0 HD22 ASN A 71 9.327 7.141 -9.185 1.00 12.41 H new ATOM 1139 N SER A 72 5.965 8.242 -13.269 1.00 14.02 N ATOM 1140 CA SER A 72 5.104 9.351 -13.806 1.00 14.59 C ATOM 1141 C SER A 72 5.853 10.118 -14.916 1.00 15.09 C ATOM 1142 O SER A 72 6.687 9.513 -15.575 1.00 15.38 O ATOM 1143 CB SER A 72 4.725 10.307 -12.662 1.00 14.66 C ATOM 1144 OG SER A 72 4.144 9.563 -11.597 1.00 14.60 O ATOM 1145 OXT SER A 72 5.573 11.293 -15.101 1.00 15.30 O ATOM 0 H SER A 72 5.582 7.305 -13.397 1.00 14.02 H new ATOM 0 HA SER A 72 4.196 8.925 -14.233 1.00 14.59 H new ATOM 0 HB2 SER A 72 5.609 10.838 -12.309 1.00 14.66 H new ATOM 0 HB3 SER A 72 4.023 11.060 -13.020 1.00 14.66 H new ATOM 0 HG SER A 72 4.840 9.316 -10.953 1.00 14.60 H new TER 1151 SER A 72