USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 880 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 38 SER OG : rot 180:sc= -0.908 USER MOD Set 1.2: A 93 ASN : amide:sc= -3.55 K(o=-4.5,f=-7.1!) USER MOD Set 2.1: A 77 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 78 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Set 3.1: A 60 ASN : amide:sc= -4.17! C(o=-4.8!,f=-9!) USER MOD Set 3.2: A 63 GLN : amide:sc= -0.626 K(o=-4.8,f=-3.7) USER MOD Set 4.1: A 14 TYR OH : rot 81:sc= 1.23 USER MOD Set 4.2: A 103 SER OG : rot 45:sc= 0.353 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0109 K(o=-0.011,f=-0.95) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 3:sc= -0.525 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -13:sc= 0.772 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.155 K(o=-0.15,f=-1.9!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 30:sc= 0.0337 USER MOD Single : A 65 ASN : amide:sc= -1.03 K(o=-1,f=-1.6) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.986! USER MOD Single : A 79 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0296) USER MOD Single : A 82 SER OG : rot -20:sc= 0.296 USER MOD Single : A 86 GLN : amide:sc= -1.91 K(o=-1.9,f=-0.7) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -0.32 USER MOD Single : A 97 LYS NZ :NH3+ -137:sc= 0.203 (180deg=-0.104) USER MOD Single : A 99 SER OG : rot 52:sc= -0.0613 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0225 USER MOD Single : A 102 GLN : amide:sc= -1.27! X(o=-1.3!,f=-1.5) USER MOD Single : A 111 CYS SG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.125 -20.337 16.210 1.00 0.00 N ATOM 2 CA GLY A 1 -17.240 -21.398 15.765 1.00 0.00 C ATOM 3 C GLY A 1 -16.700 -21.156 14.370 1.00 0.00 C ATOM 4 O GLY A 1 -16.166 -20.085 14.081 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.467 -20.550 17.169 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.608 -19.435 16.219 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.935 -20.266 15.561 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.408 -21.489 16.463 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.777 -22.346 15.784 1.00 0.00 H new ATOM 8 N SER A 2 -16.837 -22.154 13.503 1.00 0.00 N ATOM 9 CA SER A 2 -16.353 -22.047 12.131 1.00 0.00 C ATOM 10 C SER A 2 -17.484 -22.291 11.136 1.00 0.00 C ATOM 11 O SER A 2 -17.770 -23.432 10.772 1.00 0.00 O ATOM 12 CB SER A 2 -15.220 -23.045 11.888 1.00 0.00 C ATOM 13 OG SER A 2 -14.502 -22.724 10.709 1.00 0.00 O ATOM 0 H SER A 2 -17.279 -23.046 13.726 1.00 0.00 H new ATOM 0 HA SER A 2 -15.974 -21.036 11.983 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.542 -23.045 12.742 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.629 -24.052 11.806 1.00 0.00 H new ATOM 0 HG SER A 2 -13.782 -23.376 10.577 1.00 0.00 H new ATOM 19 N SER A 3 -18.123 -21.211 10.699 1.00 0.00 N ATOM 20 CA SER A 3 -19.225 -21.307 9.749 1.00 0.00 C ATOM 21 C SER A 3 -19.046 -20.310 8.607 1.00 0.00 C ATOM 22 O SER A 3 -19.334 -19.123 8.753 1.00 0.00 O ATOM 23 CB SER A 3 -20.559 -21.056 10.455 1.00 0.00 C ATOM 24 OG SER A 3 -21.064 -22.249 11.029 1.00 0.00 O ATOM 0 H SER A 3 -17.897 -20.259 10.988 1.00 0.00 H new ATOM 0 HA SER A 3 -19.226 -22.314 9.333 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.427 -20.303 11.231 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.281 -20.657 9.743 1.00 0.00 H new ATOM 0 HG SER A 3 -21.916 -22.062 11.476 1.00 0.00 H new ATOM 30 N GLY A 4 -18.567 -20.804 7.469 1.00 0.00 N ATOM 31 CA GLY A 4 -18.357 -19.945 6.318 1.00 0.00 C ATOM 32 C GLY A 4 -16.935 -19.427 6.233 1.00 0.00 C ATOM 33 O GLY A 4 -16.712 -18.229 6.059 1.00 0.00 O ATOM 0 H GLY A 4 -18.321 -21.783 7.324 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.594 -20.497 5.409 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.045 -19.101 6.368 1.00 0.00 H new ATOM 37 N SER A 5 -15.969 -20.332 6.357 1.00 0.00 N ATOM 38 CA SER A 5 -14.561 -19.960 6.298 1.00 0.00 C ATOM 39 C SER A 5 -14.273 -19.115 5.061 1.00 0.00 C ATOM 40 O SER A 5 -14.151 -19.638 3.953 1.00 0.00 O ATOM 41 CB SER A 5 -13.680 -21.211 6.291 1.00 0.00 C ATOM 42 OG SER A 5 -12.306 -20.868 6.289 1.00 0.00 O ATOM 0 H SER A 5 -16.136 -21.328 6.499 1.00 0.00 H new ATOM 0 HA SER A 5 -14.331 -19.367 7.183 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.904 -21.822 7.165 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.908 -21.815 5.413 1.00 0.00 H new ATOM 0 HG SER A 5 -11.765 -21.685 6.286 1.00 0.00 H new ATOM 48 N SER A 6 -14.167 -17.805 5.258 1.00 0.00 N ATOM 49 CA SER A 6 -13.898 -16.885 4.159 1.00 0.00 C ATOM 50 C SER A 6 -12.396 -16.727 3.939 1.00 0.00 C ATOM 51 O SER A 6 -11.667 -16.308 4.836 1.00 0.00 O ATOM 52 CB SER A 6 -14.530 -15.521 4.441 1.00 0.00 C ATOM 53 OG SER A 6 -15.883 -15.489 4.020 1.00 0.00 O ATOM 0 H SER A 6 -14.263 -17.356 6.169 1.00 0.00 H new ATOM 0 HA SER A 6 -14.339 -17.301 3.253 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.472 -15.304 5.508 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.967 -14.742 3.926 1.00 0.00 H new ATOM 0 HG SER A 6 -16.265 -14.607 4.213 1.00 0.00 H new ATOM 59 N GLY A 7 -11.942 -17.067 2.736 1.00 0.00 N ATOM 60 CA GLY A 7 -10.531 -16.956 2.418 1.00 0.00 C ATOM 61 C GLY A 7 -10.169 -15.598 1.849 1.00 0.00 C ATOM 62 O GLY A 7 -9.615 -15.503 0.753 1.00 0.00 O ATOM 0 H GLY A 7 -12.526 -17.417 1.977 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.944 -17.137 3.318 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.262 -17.731 1.700 1.00 0.00 H new ATOM 66 N LEU A 8 -10.485 -14.544 2.594 1.00 0.00 N ATOM 67 CA LEU A 8 -10.192 -13.183 2.157 1.00 0.00 C ATOM 68 C LEU A 8 -9.071 -12.573 2.992 1.00 0.00 C ATOM 69 O LEU A 8 -8.932 -12.847 4.185 1.00 0.00 O ATOM 70 CB LEU A 8 -11.446 -12.314 2.253 1.00 0.00 C ATOM 71 CG LEU A 8 -12.686 -12.842 1.531 1.00 0.00 C ATOM 72 CD1 LEU A 8 -13.951 -12.285 2.165 1.00 0.00 C ATOM 73 CD2 LEU A 8 -12.630 -12.493 0.051 1.00 0.00 C ATOM 0 H LEU A 8 -10.944 -14.606 3.503 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.865 -13.224 1.118 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.692 -12.182 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.211 -11.327 1.855 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.704 -13.928 1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.823 -12.672 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.997 -12.586 3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.941 -11.197 2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.520 -12.877 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -12.587 -11.410 -0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -11.743 -12.942 -0.395 1.00 0.00 H new ATOM 85 N PRO A 9 -8.252 -11.724 2.354 1.00 0.00 N ATOM 86 CA PRO A 9 -7.130 -11.054 3.020 1.00 0.00 C ATOM 87 C PRO A 9 -7.595 -10.006 4.024 1.00 0.00 C ATOM 88 O PRO A 9 -8.377 -9.117 3.689 1.00 0.00 O ATOM 89 CB PRO A 9 -6.376 -10.391 1.865 1.00 0.00 C ATOM 90 CG PRO A 9 -7.404 -10.195 0.804 1.00 0.00 C ATOM 91 CD PRO A 9 -8.358 -11.351 0.933 1.00 0.00 C ATOM 0 HA PRO A 9 -6.524 -11.752 3.598 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.938 -9.441 2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.559 -11.020 1.513 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.922 -9.245 0.934 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.946 -10.176 -0.185 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.375 -11.064 0.668 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.079 -12.177 0.279 1.00 0.00 H new ATOM 99 N GLN A 10 -7.108 -10.116 5.256 1.00 0.00 N ATOM 100 CA GLN A 10 -7.474 -9.176 6.309 1.00 0.00 C ATOM 101 C GLN A 10 -6.259 -8.384 6.779 1.00 0.00 C ATOM 102 O GLN A 10 -5.125 -8.852 6.683 1.00 0.00 O ATOM 103 CB GLN A 10 -8.101 -9.919 7.490 1.00 0.00 C ATOM 104 CG GLN A 10 -8.529 -9.005 8.627 1.00 0.00 C ATOM 105 CD GLN A 10 -8.920 -9.770 9.875 1.00 0.00 C ATOM 106 OE1 GLN A 10 -8.378 -10.839 10.158 1.00 0.00 O ATOM 107 NE2 GLN A 10 -9.867 -9.226 10.631 1.00 0.00 N ATOM 0 H GLN A 10 -6.459 -10.846 5.549 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.204 -8.477 5.899 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -8.968 -10.477 7.138 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -7.386 -10.648 7.871 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.714 -8.321 8.865 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.371 -8.395 8.300 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -10.289 -8.338 10.359 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.172 -9.696 11.483 1.00 0.00 H new ATOM 116 N VAL A 11 -6.504 -7.180 7.288 1.00 0.00 N ATOM 117 CA VAL A 11 -5.429 -6.323 7.774 1.00 0.00 C ATOM 118 C VAL A 11 -5.744 -5.782 9.164 1.00 0.00 C ATOM 119 O VAL A 11 -6.380 -4.738 9.304 1.00 0.00 O ATOM 120 CB VAL A 11 -5.179 -5.141 6.819 1.00 0.00 C ATOM 121 CG1 VAL A 11 -4.093 -4.229 7.370 1.00 0.00 C ATOM 122 CG2 VAL A 11 -4.809 -5.645 5.432 1.00 0.00 C ATOM 0 H VAL A 11 -7.437 -6.777 7.374 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.530 -6.938 7.822 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.099 -4.563 6.737 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.930 -3.400 6.682 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.402 -3.840 8.340 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.167 -4.793 7.484 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.636 -4.796 4.771 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.903 -6.248 5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.623 -6.253 5.037 1.00 0.00 H new ATOM 132 N GLU A 12 -5.293 -6.499 10.188 1.00 0.00 N ATOM 133 CA GLU A 12 -5.528 -6.089 11.568 1.00 0.00 C ATOM 134 C GLU A 12 -4.969 -4.693 11.824 1.00 0.00 C ATOM 135 O GLU A 12 -5.628 -3.850 12.432 1.00 0.00 O ATOM 136 CB GLU A 12 -4.892 -7.090 12.535 1.00 0.00 C ATOM 137 CG GLU A 12 -5.587 -7.159 13.885 1.00 0.00 C ATOM 138 CD GLU A 12 -6.853 -7.993 13.847 1.00 0.00 C ATOM 139 OE1 GLU A 12 -7.801 -7.599 13.136 1.00 0.00 O ATOM 140 OE2 GLU A 12 -6.894 -9.039 14.527 1.00 0.00 O ATOM 0 H GLU A 12 -4.764 -7.365 10.089 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.605 -6.066 11.735 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.903 -8.080 12.079 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.847 -6.821 12.687 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.902 -7.579 14.621 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.831 -6.150 14.216 1.00 0.00 H new ATOM 147 N ALA A 13 -3.748 -4.455 11.355 1.00 0.00 N ATOM 148 CA ALA A 13 -3.100 -3.161 11.531 1.00 0.00 C ATOM 149 C ALA A 13 -1.905 -3.014 10.596 1.00 0.00 C ATOM 150 O ALA A 13 -1.565 -3.938 9.856 1.00 0.00 O ATOM 151 CB ALA A 13 -2.666 -2.981 12.979 1.00 0.00 C ATOM 0 H ALA A 13 -3.188 -5.142 10.850 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.822 -2.383 11.280 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.184 -2.011 13.096 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.539 -3.033 13.630 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.964 -3.770 13.249 1.00 0.00 H new ATOM 157 N TYR A 14 -1.270 -1.848 10.634 1.00 0.00 N ATOM 158 CA TYR A 14 -0.114 -1.579 9.787 1.00 0.00 C ATOM 159 C TYR A 14 0.771 -0.499 10.402 1.00 0.00 C ATOM 160 O TYR A 14 0.282 0.430 11.044 1.00 0.00 O ATOM 161 CB TYR A 14 -0.567 -1.149 8.391 1.00 0.00 C ATOM 162 CG TYR A 14 -1.451 0.078 8.392 1.00 0.00 C ATOM 163 CD1 TYR A 14 -0.937 1.329 8.712 1.00 0.00 C ATOM 164 CD2 TYR A 14 -2.801 -0.013 8.075 1.00 0.00 C ATOM 165 CE1 TYR A 14 -1.740 2.452 8.715 1.00 0.00 C ATOM 166 CE2 TYR A 14 -3.612 1.105 8.074 1.00 0.00 C ATOM 167 CZ TYR A 14 -3.077 2.335 8.395 1.00 0.00 C ATOM 168 OH TYR A 14 -3.882 3.452 8.397 1.00 0.00 O ATOM 0 H TYR A 14 -1.536 -1.074 11.242 1.00 0.00 H new ATOM 0 HA TYR A 14 0.467 -2.498 9.706 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.312 -0.952 7.777 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.105 -1.973 7.923 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.109 1.424 8.963 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.223 -0.975 7.825 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.324 3.416 8.966 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.659 1.017 7.823 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.757 3.947 7.560 1.00 0.00 H new ATOM 178 N SER A 15 2.079 -0.629 10.199 1.00 0.00 N ATOM 179 CA SER A 15 3.035 0.333 10.735 1.00 0.00 C ATOM 180 C SER A 15 4.262 0.437 9.835 1.00 0.00 C ATOM 181 O SER A 15 4.686 -0.531 9.203 1.00 0.00 O ATOM 182 CB SER A 15 3.458 -0.070 12.148 1.00 0.00 C ATOM 183 OG SER A 15 3.875 -1.424 12.189 1.00 0.00 O ATOM 0 H SER A 15 2.500 -1.391 9.667 1.00 0.00 H new ATOM 0 HA SER A 15 2.550 1.308 10.773 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.270 0.574 12.486 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.626 0.079 12.836 1.00 0.00 H new ATOM 0 HG SER A 15 4.142 -1.657 13.103 1.00 0.00 H new ATOM 189 N PRO A 16 4.849 1.642 9.773 1.00 0.00 N ATOM 190 CA PRO A 16 4.354 2.803 10.520 1.00 0.00 C ATOM 191 C PRO A 16 3.023 3.314 9.979 1.00 0.00 C ATOM 192 O PRO A 16 2.782 3.293 8.772 1.00 0.00 O ATOM 193 CB PRO A 16 5.451 3.850 10.316 1.00 0.00 C ATOM 194 CG PRO A 16 6.110 3.465 9.037 1.00 0.00 C ATOM 195 CD PRO A 16 6.040 1.964 8.970 1.00 0.00 C ATOM 0 HA PRO A 16 4.163 2.564 11.566 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.033 4.855 10.259 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.160 3.846 11.144 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.603 3.918 8.185 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.144 3.809 9.012 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.940 1.612 7.943 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.938 1.501 9.379 1.00 0.00 H new ATOM 203 N SER A 17 2.161 3.775 10.881 1.00 0.00 N ATOM 204 CA SER A 17 0.853 4.289 10.494 1.00 0.00 C ATOM 205 C SER A 17 0.958 5.158 9.244 1.00 0.00 C ATOM 206 O SER A 17 0.055 5.172 8.407 1.00 0.00 O ATOM 207 CB SER A 17 0.240 5.098 11.640 1.00 0.00 C ATOM 208 OG SER A 17 -1.009 5.651 11.263 1.00 0.00 O ATOM 0 H SER A 17 2.345 3.803 11.884 1.00 0.00 H new ATOM 0 HA SER A 17 0.208 3.439 10.272 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.109 4.457 12.512 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.922 5.897 11.931 1.00 0.00 H new ATOM 0 HG SER A 17 -1.380 6.162 12.013 1.00 0.00 H new ATOM 214 N ALA A 18 2.066 5.881 9.125 1.00 0.00 N ATOM 215 CA ALA A 18 2.292 6.750 7.977 1.00 0.00 C ATOM 216 C ALA A 18 3.741 6.678 7.510 1.00 0.00 C ATOM 217 O ALA A 18 4.577 6.034 8.146 1.00 0.00 O ATOM 218 CB ALA A 18 1.917 8.184 8.320 1.00 0.00 C ATOM 0 H ALA A 18 2.822 5.882 9.810 1.00 0.00 H new ATOM 0 HA ALA A 18 1.658 6.405 7.161 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.091 8.823 7.454 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.864 8.228 8.598 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.527 8.530 9.154 1.00 0.00 H new ATOM 224 N CYS A 19 4.033 7.340 6.396 1.00 0.00 N ATOM 225 CA CYS A 19 5.382 7.350 5.842 1.00 0.00 C ATOM 226 C CYS A 19 5.616 8.599 5.000 1.00 0.00 C ATOM 227 O CYS A 19 4.700 9.391 4.779 1.00 0.00 O ATOM 228 CB CYS A 19 5.617 6.098 4.996 1.00 0.00 C ATOM 229 SG CYS A 19 7.354 5.613 4.861 1.00 0.00 S ATOM 0 H CYS A 19 3.353 7.877 5.858 1.00 0.00 H new ATOM 0 HA CYS A 19 6.089 7.357 6.672 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.052 5.271 5.426 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.220 6.269 3.995 1.00 0.00 H new ATOM 0 HG CYS A 19 8.085 6.412 5.580 1.00 0.00 H new ATOM 235 N SER A 20 6.849 8.771 4.534 1.00 0.00 N ATOM 236 CA SER A 20 7.205 9.927 3.720 1.00 0.00 C ATOM 237 C SER A 20 6.758 9.733 2.275 1.00 0.00 C ATOM 238 O SER A 20 6.782 8.619 1.750 1.00 0.00 O ATOM 239 CB SER A 20 8.715 10.168 3.772 1.00 0.00 C ATOM 240 OG SER A 20 9.171 10.265 5.110 1.00 0.00 O ATOM 0 H SER A 20 7.618 8.124 4.706 1.00 0.00 H new ATOM 0 HA SER A 20 6.691 10.798 4.126 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.234 9.354 3.266 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.959 11.084 3.234 1.00 0.00 H new ATOM 0 HG SER A 20 10.139 10.417 5.115 1.00 0.00 H new ATOM 246 N VAL A 21 6.350 10.825 1.636 1.00 0.00 N ATOM 247 CA VAL A 21 5.899 10.776 0.250 1.00 0.00 C ATOM 248 C VAL A 21 6.926 10.085 -0.639 1.00 0.00 C ATOM 249 O VAL A 21 6.601 9.612 -1.728 1.00 0.00 O ATOM 250 CB VAL A 21 5.626 12.189 -0.301 1.00 0.00 C ATOM 251 CG1 VAL A 21 4.424 12.811 0.394 1.00 0.00 C ATOM 252 CG2 VAL A 21 6.857 13.068 -0.144 1.00 0.00 C ATOM 0 H VAL A 21 6.323 11.754 2.056 1.00 0.00 H new ATOM 0 HA VAL A 21 4.971 10.204 0.239 1.00 0.00 H new ATOM 0 HB VAL A 21 5.398 12.108 -1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.247 13.808 -0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.544 12.190 0.225 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.618 12.881 1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.647 14.062 -0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.118 13.144 0.912 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.690 12.629 -0.693 1.00 0.00 H new ATOM 262 N ARG A 22 8.167 10.030 -0.166 1.00 0.00 N ATOM 263 CA ARG A 22 9.243 9.397 -0.919 1.00 0.00 C ATOM 264 C ARG A 22 9.135 7.876 -0.848 1.00 0.00 C ATOM 265 O ARG A 22 9.375 7.180 -1.834 1.00 0.00 O ATOM 266 CB ARG A 22 10.603 9.847 -0.383 1.00 0.00 C ATOM 267 CG ARG A 22 10.857 11.337 -0.541 1.00 0.00 C ATOM 268 CD ARG A 22 12.342 11.659 -0.479 1.00 0.00 C ATOM 269 NE ARG A 22 12.875 11.522 0.874 1.00 0.00 N ATOM 270 CZ ARG A 22 14.134 11.797 1.199 1.00 0.00 C ATOM 271 NH1 ARG A 22 14.983 12.223 0.274 1.00 0.00 N ATOM 272 NH2 ARG A 22 14.544 11.647 2.452 1.00 0.00 N ATOM 0 H ARG A 22 8.452 10.416 0.734 1.00 0.00 H new ATOM 0 HA ARG A 22 9.151 9.703 -1.961 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.673 9.585 0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.388 9.296 -0.901 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.449 11.678 -1.493 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.332 11.882 0.244 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.885 10.995 -1.152 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.507 12.677 -0.833 1.00 0.00 H new ATOM 0 HE ARG A 22 12.247 11.198 1.609 1.00 0.00 H new ATOM 0 HH11 ARG A 22 14.670 12.340 -0.690 1.00 0.00 H new ATOM 0 HH12 ARG A 22 15.949 12.433 0.526 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.893 11.321 3.166 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.510 11.858 2.701 1.00 0.00 H new ATOM 286 N GLY A 23 8.772 7.368 0.326 1.00 0.00 N ATOM 287 CA GLY A 23 8.639 5.934 0.504 1.00 0.00 C ATOM 288 C GLY A 23 9.969 5.257 0.773 1.00 0.00 C ATOM 289 O GLY A 23 10.676 5.615 1.714 1.00 0.00 O ATOM 0 H GLY A 23 8.568 7.924 1.157 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.960 5.735 1.333 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.188 5.500 -0.389 1.00 0.00 H new ATOM 293 N GLY A 24 10.310 4.275 -0.056 1.00 0.00 N ATOM 294 CA GLY A 24 11.561 3.561 0.116 1.00 0.00 C ATOM 295 C GLY A 24 11.786 3.119 1.548 1.00 0.00 C ATOM 296 O GLY A 24 12.909 3.164 2.049 1.00 0.00 O ATOM 0 H GLY A 24 9.742 3.962 -0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.569 2.687 -0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.386 4.200 -0.197 1.00 0.00 H new ATOM 300 N GLU A 25 10.714 2.692 2.209 1.00 0.00 N ATOM 301 CA GLU A 25 10.800 2.243 3.594 1.00 0.00 C ATOM 302 C GLU A 25 10.213 0.843 3.749 1.00 0.00 C ATOM 303 O GLU A 25 9.607 0.307 2.822 1.00 0.00 O ATOM 304 CB GLU A 25 10.067 3.220 4.516 1.00 0.00 C ATOM 305 CG GLU A 25 10.794 4.541 4.704 1.00 0.00 C ATOM 306 CD GLU A 25 11.844 4.479 5.797 1.00 0.00 C ATOM 307 OE1 GLU A 25 11.505 4.053 6.921 1.00 0.00 O ATOM 308 OE2 GLU A 25 13.003 4.856 5.528 1.00 0.00 O ATOM 0 H GLU A 25 9.777 2.648 1.808 1.00 0.00 H new ATOM 0 HA GLU A 25 11.853 2.210 3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.075 3.416 4.109 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.925 2.751 5.490 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.269 4.827 3.765 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.070 5.319 4.945 1.00 0.00 H new ATOM 315 N GLU A 26 10.400 0.257 4.928 1.00 0.00 N ATOM 316 CA GLU A 26 9.890 -1.081 5.203 1.00 0.00 C ATOM 317 C GLU A 26 8.518 -1.015 5.868 1.00 0.00 C ATOM 318 O GLU A 26 8.379 -0.507 6.981 1.00 0.00 O ATOM 319 CB GLU A 26 10.866 -1.848 6.099 1.00 0.00 C ATOM 320 CG GLU A 26 10.707 -3.357 6.021 1.00 0.00 C ATOM 321 CD GLU A 26 11.726 -4.096 6.867 1.00 0.00 C ATOM 322 OE1 GLU A 26 12.050 -3.606 7.969 1.00 0.00 O ATOM 323 OE2 GLU A 26 12.199 -5.164 6.426 1.00 0.00 O ATOM 0 H GLU A 26 10.900 0.687 5.706 1.00 0.00 H new ATOM 0 HA GLU A 26 9.789 -1.606 4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.886 -1.584 5.820 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.725 -1.529 7.132 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.703 -3.630 6.347 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.803 -3.675 4.983 1.00 0.00 H new ATOM 330 N LEU A 27 7.508 -1.532 5.177 1.00 0.00 N ATOM 331 CA LEU A 27 6.145 -1.531 5.699 1.00 0.00 C ATOM 332 C LEU A 27 5.713 -2.940 6.093 1.00 0.00 C ATOM 333 O LEU A 27 5.687 -3.848 5.263 1.00 0.00 O ATOM 334 CB LEU A 27 5.180 -0.962 4.658 1.00 0.00 C ATOM 335 CG LEU A 27 3.726 -0.807 5.105 1.00 0.00 C ATOM 336 CD1 LEU A 27 3.616 0.228 6.214 1.00 0.00 C ATOM 337 CD2 LEU A 27 2.843 -0.423 3.926 1.00 0.00 C ATOM 0 H LEU A 27 7.606 -1.957 4.255 1.00 0.00 H new ATOM 0 HA LEU A 27 6.123 -0.901 6.588 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.549 0.015 4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.202 -1.607 3.780 1.00 0.00 H new ATOM 0 HG LEU A 27 3.382 -1.765 5.494 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.574 0.325 6.519 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.216 -0.088 7.067 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.979 1.190 5.851 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.812 -0.317 4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.187 0.523 3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.897 -1.199 3.163 1.00 0.00 H new ATOM 349 N VAL A 28 5.372 -3.114 7.366 1.00 0.00 N ATOM 350 CA VAL A 28 4.937 -4.411 7.871 1.00 0.00 C ATOM 351 C VAL A 28 3.439 -4.417 8.153 1.00 0.00 C ATOM 352 O VAL A 28 2.976 -3.803 9.116 1.00 0.00 O ATOM 353 CB VAL A 28 5.693 -4.795 9.157 1.00 0.00 C ATOM 354 CG1 VAL A 28 5.215 -6.143 9.675 1.00 0.00 C ATOM 355 CG2 VAL A 28 7.194 -4.812 8.908 1.00 0.00 C ATOM 0 H VAL A 28 5.389 -2.373 8.067 1.00 0.00 H new ATOM 0 HA VAL A 28 5.160 -5.144 7.095 1.00 0.00 H new ATOM 0 HB VAL A 28 5.483 -4.044 9.919 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.760 -6.398 10.584 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.149 -6.091 9.894 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.393 -6.907 8.919 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.712 -5.085 9.827 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.426 -5.540 8.131 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.521 -3.823 8.588 1.00 0.00 H new ATOM 365 N LEU A 29 2.687 -5.114 7.310 1.00 0.00 N ATOM 366 CA LEU A 29 1.239 -5.201 7.468 1.00 0.00 C ATOM 367 C LEU A 29 0.857 -6.400 8.330 1.00 0.00 C ATOM 368 O LEU A 29 1.450 -7.474 8.218 1.00 0.00 O ATOM 369 CB LEU A 29 0.561 -5.304 6.101 1.00 0.00 C ATOM 370 CG LEU A 29 0.748 -4.107 5.168 1.00 0.00 C ATOM 371 CD1 LEU A 29 0.626 -4.539 3.715 1.00 0.00 C ATOM 372 CD2 LEU A 29 -0.265 -3.018 5.488 1.00 0.00 C ATOM 0 H LEU A 29 3.055 -5.628 6.509 1.00 0.00 H new ATOM 0 HA LEU A 29 0.898 -4.294 7.967 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.937 -6.194 5.597 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.507 -5.454 6.258 1.00 0.00 H new ATOM 0 HG LEU A 29 1.748 -3.703 5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.762 -3.674 3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.390 -5.284 3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.361 -4.969 3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.117 -2.174 4.814 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.274 -3.411 5.361 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.131 -2.688 6.518 1.00 0.00 H new ATOM 384 N THR A 30 -0.141 -6.212 9.189 1.00 0.00 N ATOM 385 CA THR A 30 -0.603 -7.278 10.068 1.00 0.00 C ATOM 386 C THR A 30 -1.989 -7.765 9.660 1.00 0.00 C ATOM 387 O THR A 30 -2.830 -6.980 9.223 1.00 0.00 O ATOM 388 CB THR A 30 -0.646 -6.815 11.537 1.00 0.00 C ATOM 389 OG1 THR A 30 0.619 -6.261 11.913 1.00 0.00 O ATOM 390 CG2 THR A 30 -0.992 -7.974 12.459 1.00 0.00 C ATOM 0 H THR A 30 -0.644 -5.331 9.294 1.00 0.00 H new ATOM 0 HA THR A 30 0.110 -8.097 9.973 1.00 0.00 H new ATOM 0 HB THR A 30 -1.419 -6.052 11.632 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.583 -5.968 12.847 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.017 -7.623 13.491 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.969 -8.375 12.189 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.239 -8.756 12.359 1.00 0.00 H new ATOM 398 N GLY A 31 -2.221 -9.066 9.806 1.00 0.00 N ATOM 399 CA GLY A 31 -3.507 -9.635 9.448 1.00 0.00 C ATOM 400 C GLY A 31 -3.480 -11.150 9.408 1.00 0.00 C ATOM 401 O GLY A 31 -2.761 -11.785 10.179 1.00 0.00 O ATOM 0 H GLY A 31 -1.541 -9.736 10.166 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.258 -9.307 10.166 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.810 -9.254 8.473 1.00 0.00 H new ATOM 405 N SER A 32 -4.265 -11.731 8.506 1.00 0.00 N ATOM 406 CA SER A 32 -4.333 -13.181 8.372 1.00 0.00 C ATOM 407 C SER A 32 -4.944 -13.575 7.031 1.00 0.00 C ATOM 408 O SER A 32 -5.494 -12.737 6.317 1.00 0.00 O ATOM 409 CB SER A 32 -5.152 -13.783 9.515 1.00 0.00 C ATOM 410 OG SER A 32 -4.569 -13.485 10.772 1.00 0.00 O ATOM 0 H SER A 32 -4.863 -11.219 7.857 1.00 0.00 H new ATOM 0 HA SER A 32 -3.317 -13.573 8.418 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.170 -13.394 9.481 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.219 -14.864 9.389 1.00 0.00 H new ATOM 0 HG SER A 32 -3.659 -13.146 10.639 1.00 0.00 H new ATOM 416 N ASN A 33 -4.843 -14.856 6.695 1.00 0.00 N ATOM 417 CA ASN A 33 -5.385 -15.363 5.439 1.00 0.00 C ATOM 418 C ASN A 33 -4.692 -14.712 4.246 1.00 0.00 C ATOM 419 O ASN A 33 -5.346 -14.246 3.313 1.00 0.00 O ATOM 420 CB ASN A 33 -6.892 -15.106 5.370 1.00 0.00 C ATOM 421 CG ASN A 33 -7.691 -16.150 6.126 1.00 0.00 C ATOM 422 OD1 ASN A 33 -7.847 -16.066 7.345 1.00 0.00 O ATOM 423 ND2 ASN A 33 -8.202 -17.141 5.405 1.00 0.00 N ATOM 0 H ASN A 33 -4.391 -15.563 7.275 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.204 -16.437 5.400 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.109 -14.119 5.780 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.209 -15.095 4.327 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.749 -17.873 5.859 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.048 -17.171 4.397 1.00 0.00 H new ATOM 430 N PHE A 34 -3.364 -14.684 4.283 1.00 0.00 N ATOM 431 CA PHE A 34 -2.581 -14.090 3.205 1.00 0.00 C ATOM 432 C PHE A 34 -2.043 -15.167 2.267 1.00 0.00 C ATOM 433 O PHE A 34 -2.179 -16.362 2.532 1.00 0.00 O ATOM 434 CB PHE A 34 -1.423 -13.272 3.778 1.00 0.00 C ATOM 435 CG PHE A 34 -1.856 -11.975 4.402 1.00 0.00 C ATOM 436 CD1 PHE A 34 -2.754 -11.145 3.751 1.00 0.00 C ATOM 437 CD2 PHE A 34 -1.364 -11.587 5.637 1.00 0.00 C ATOM 438 CE1 PHE A 34 -3.155 -9.951 4.322 1.00 0.00 C ATOM 439 CE2 PHE A 34 -1.762 -10.395 6.213 1.00 0.00 C ATOM 440 CZ PHE A 34 -2.658 -9.576 5.554 1.00 0.00 C ATOM 0 H PHE A 34 -2.807 -15.066 5.048 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.235 -13.430 2.635 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.902 -13.870 4.526 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.708 -13.062 2.982 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.145 -11.434 2.787 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.662 -12.223 6.156 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.856 -9.313 3.805 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.373 -10.104 7.178 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.969 -8.644 6.002 1.00 0.00 H new ATOM 450 N LEU A 35 -1.431 -14.735 1.170 1.00 0.00 N ATOM 451 CA LEU A 35 -0.871 -15.661 0.191 1.00 0.00 C ATOM 452 C LEU A 35 0.635 -15.461 0.052 1.00 0.00 C ATOM 453 O LEU A 35 1.162 -14.368 0.259 1.00 0.00 O ATOM 454 CB LEU A 35 -1.551 -15.471 -1.166 1.00 0.00 C ATOM 455 CG LEU A 35 -2.947 -16.078 -1.308 1.00 0.00 C ATOM 456 CD1 LEU A 35 -3.787 -15.263 -2.280 1.00 0.00 C ATOM 457 CD2 LEU A 35 -2.855 -17.526 -1.765 1.00 0.00 C ATOM 0 H LEU A 35 -1.310 -13.750 0.936 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.052 -16.677 0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.619 -14.402 -1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.909 -15.902 -1.935 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.433 -16.056 -0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.777 -15.710 -2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.881 -14.242 -1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.305 -15.253 -3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.858 -17.942 -1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.350 -17.572 -2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.291 -18.104 -1.032 1.00 0.00 H new ATOM 469 N PRO A 36 1.344 -16.540 -0.310 1.00 0.00 N ATOM 470 CA PRO A 36 2.798 -16.508 -0.489 1.00 0.00 C ATOM 471 C PRO A 36 3.214 -15.702 -1.715 1.00 0.00 C ATOM 472 O PRO A 36 4.390 -15.379 -1.888 1.00 0.00 O ATOM 473 CB PRO A 36 3.167 -17.983 -0.668 1.00 0.00 C ATOM 474 CG PRO A 36 1.928 -18.621 -1.196 1.00 0.00 C ATOM 475 CD PRO A 36 0.780 -17.875 -0.574 1.00 0.00 C ATOM 0 HA PRO A 36 3.301 -16.028 0.350 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.000 -18.102 -1.361 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.472 -18.432 0.277 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.890 -18.559 -2.284 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.893 -19.679 -0.936 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.077 -17.824 -1.246 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.438 -18.355 0.343 1.00 0.00 H new ATOM 483 N ASP A 37 2.244 -15.381 -2.563 1.00 0.00 N ATOM 484 CA ASP A 37 2.509 -14.611 -3.773 1.00 0.00 C ATOM 485 C ASP A 37 1.507 -13.471 -3.922 1.00 0.00 C ATOM 486 O ASP A 37 1.229 -13.016 -5.031 1.00 0.00 O ATOM 487 CB ASP A 37 2.454 -15.519 -5.003 1.00 0.00 C ATOM 488 CG ASP A 37 1.034 -15.865 -5.404 1.00 0.00 C ATOM 489 OD1 ASP A 37 0.197 -16.072 -4.501 1.00 0.00 O ATOM 490 OD2 ASP A 37 0.760 -15.930 -6.620 1.00 0.00 O ATOM 0 H ASP A 37 1.266 -15.642 -2.435 1.00 0.00 H new ATOM 0 HA ASP A 37 3.508 -14.184 -3.691 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.954 -15.027 -5.837 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.005 -16.437 -4.798 1.00 0.00 H new ATOM 495 N SER A 38 0.966 -13.014 -2.797 1.00 0.00 N ATOM 496 CA SER A 38 -0.009 -11.930 -2.802 1.00 0.00 C ATOM 497 C SER A 38 0.504 -10.741 -3.610 1.00 0.00 C ATOM 498 O SER A 38 1.638 -10.744 -4.090 1.00 0.00 O ATOM 499 CB SER A 38 -0.323 -11.490 -1.371 1.00 0.00 C ATOM 500 OG SER A 38 -1.407 -12.232 -0.836 1.00 0.00 O ATOM 0 H SER A 38 1.187 -13.378 -1.870 1.00 0.00 H new ATOM 0 HA SER A 38 -0.922 -12.299 -3.270 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.558 -11.624 -0.744 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.564 -10.427 -1.358 1.00 0.00 H new ATOM 0 HG SER A 38 -1.588 -11.933 0.080 1.00 0.00 H new ATOM 506 N LYS A 39 -0.339 -9.725 -3.756 1.00 0.00 N ATOM 507 CA LYS A 39 0.027 -8.528 -4.504 1.00 0.00 C ATOM 508 C LYS A 39 -0.531 -7.276 -3.835 1.00 0.00 C ATOM 509 O LYS A 39 -1.650 -7.282 -3.320 1.00 0.00 O ATOM 510 CB LYS A 39 -0.488 -8.623 -5.942 1.00 0.00 C ATOM 511 CG LYS A 39 0.016 -9.846 -6.689 1.00 0.00 C ATOM 512 CD LYS A 39 -0.274 -9.749 -8.177 1.00 0.00 C ATOM 513 CE LYS A 39 0.775 -10.481 -8.999 1.00 0.00 C ATOM 514 NZ LYS A 39 0.513 -11.946 -9.055 1.00 0.00 N ATOM 0 H LYS A 39 -1.281 -9.706 -3.366 1.00 0.00 H new ATOM 0 HA LYS A 39 1.115 -8.457 -4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.578 -8.639 -5.928 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.190 -7.727 -6.486 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.090 -9.952 -6.533 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.455 -10.741 -6.283 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.258 -10.169 -8.385 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.305 -8.701 -8.475 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.791 -10.076 -10.011 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.761 -10.305 -8.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.250 -12.409 -9.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.523 -12.337 -8.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.417 -12.116 -9.488 1.00 0.00 H new ATOM 528 N VAL A 40 0.255 -6.204 -3.845 1.00 0.00 N ATOM 529 CA VAL A 40 -0.163 -4.944 -3.242 1.00 0.00 C ATOM 530 C VAL A 40 -0.008 -3.787 -4.222 1.00 0.00 C ATOM 531 O VAL A 40 1.081 -3.538 -4.739 1.00 0.00 O ATOM 532 CB VAL A 40 0.649 -4.636 -1.969 1.00 0.00 C ATOM 533 CG1 VAL A 40 0.231 -3.297 -1.380 1.00 0.00 C ATOM 534 CG2 VAL A 40 0.483 -5.752 -0.949 1.00 0.00 C ATOM 0 H VAL A 40 1.185 -6.183 -4.264 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.215 -5.053 -2.977 1.00 0.00 H new ATOM 0 HB VAL A 40 1.704 -4.574 -2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.815 -3.096 -0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.406 -2.507 -2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.828 -3.326 -1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.063 -5.518 -0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.570 -5.848 -0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.836 -6.691 -1.376 1.00 0.00 H new ATOM 544 N VAL A 41 -1.106 -3.082 -4.474 1.00 0.00 N ATOM 545 CA VAL A 41 -1.093 -1.949 -5.392 1.00 0.00 C ATOM 546 C VAL A 41 -1.723 -0.717 -4.753 1.00 0.00 C ATOM 547 O VAL A 41 -2.643 -0.826 -3.941 1.00 0.00 O ATOM 548 CB VAL A 41 -1.842 -2.276 -6.698 1.00 0.00 C ATOM 549 CG1 VAL A 41 -1.459 -3.659 -7.201 1.00 0.00 C ATOM 550 CG2 VAL A 41 -3.345 -2.173 -6.490 1.00 0.00 C ATOM 0 H VAL A 41 -2.016 -3.275 -4.055 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.048 -1.741 -5.623 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.552 -1.547 -7.455 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.998 -3.873 -8.124 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.386 -3.693 -7.391 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.718 -4.404 -6.449 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.858 -2.407 -7.423 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.655 -2.878 -5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.601 -1.160 -6.180 1.00 0.00 H new ATOM 560 N PHE A 42 -1.223 0.457 -5.124 1.00 0.00 N ATOM 561 CA PHE A 42 -1.737 1.712 -4.587 1.00 0.00 C ATOM 562 C PHE A 42 -2.664 2.394 -5.589 1.00 0.00 C ATOM 563 O PHE A 42 -2.745 1.990 -6.750 1.00 0.00 O ATOM 564 CB PHE A 42 -0.581 2.647 -4.225 1.00 0.00 C ATOM 565 CG PHE A 42 0.088 2.298 -2.927 1.00 0.00 C ATOM 566 CD1 PHE A 42 0.645 1.043 -2.735 1.00 0.00 C ATOM 567 CD2 PHE A 42 0.162 3.223 -1.899 1.00 0.00 C ATOM 568 CE1 PHE A 42 1.261 0.719 -1.541 1.00 0.00 C ATOM 569 CE2 PHE A 42 0.778 2.905 -0.703 1.00 0.00 C ATOM 570 CZ PHE A 42 1.329 1.651 -0.524 1.00 0.00 C ATOM 0 H PHE A 42 -0.462 0.566 -5.795 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.308 1.486 -3.687 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.160 2.622 -5.024 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.955 3.669 -4.168 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.597 0.311 -3.527 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.267 4.205 -2.033 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.689 -0.263 -1.403 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.828 3.636 0.090 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.812 1.400 0.409 1.00 0.00 H new ATOM 580 N ILE A 43 -3.359 3.430 -5.133 1.00 0.00 N ATOM 581 CA ILE A 43 -4.279 4.168 -5.989 1.00 0.00 C ATOM 582 C ILE A 43 -4.300 5.649 -5.624 1.00 0.00 C ATOM 583 O ILE A 43 -3.803 6.046 -4.571 1.00 0.00 O ATOM 584 CB ILE A 43 -5.711 3.607 -5.893 1.00 0.00 C ATOM 585 CG1 ILE A 43 -6.209 3.666 -4.448 1.00 0.00 C ATOM 586 CG2 ILE A 43 -5.756 2.180 -6.417 1.00 0.00 C ATOM 587 CD1 ILE A 43 -7.694 3.409 -4.310 1.00 0.00 C ATOM 0 H ILE A 43 -3.303 3.777 -4.176 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.920 4.052 -7.012 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.368 4.220 -6.509 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.665 2.932 -3.854 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.978 4.647 -4.032 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.774 1.797 -6.343 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.438 2.165 -7.459 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.089 1.554 -5.825 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.977 3.466 -3.259 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.247 4.158 -4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -7.929 2.417 -4.695 1.00 0.00 H new ATOM 599 N GLU A 44 -4.881 6.461 -6.503 1.00 0.00 N ATOM 600 CA GLU A 44 -4.968 7.898 -6.272 1.00 0.00 C ATOM 601 C GLU A 44 -6.186 8.489 -6.975 1.00 0.00 C ATOM 602 O GLU A 44 -6.391 8.275 -8.170 1.00 0.00 O ATOM 603 CB GLU A 44 -3.696 8.593 -6.762 1.00 0.00 C ATOM 604 CG GLU A 44 -3.795 10.109 -6.769 1.00 0.00 C ATOM 605 CD GLU A 44 -2.787 10.755 -7.700 1.00 0.00 C ATOM 606 OE1 GLU A 44 -1.604 10.357 -7.662 1.00 0.00 O ATOM 607 OE2 GLU A 44 -3.181 11.659 -8.466 1.00 0.00 O ATOM 0 H GLU A 44 -5.298 6.148 -7.380 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.074 8.062 -5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.862 8.295 -6.127 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.469 8.247 -7.770 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.801 10.402 -7.069 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.642 10.484 -5.757 1.00 0.00 H new ATOM 614 N ARG A 45 -6.992 9.233 -6.224 1.00 0.00 N ATOM 615 CA ARG A 45 -8.192 9.853 -6.774 1.00 0.00 C ATOM 616 C ARG A 45 -7.864 11.203 -7.405 1.00 0.00 C ATOM 617 O ARG A 45 -7.104 11.993 -6.847 1.00 0.00 O ATOM 618 CB ARG A 45 -9.246 10.032 -5.680 1.00 0.00 C ATOM 619 CG ARG A 45 -9.978 8.749 -5.324 1.00 0.00 C ATOM 620 CD ARG A 45 -10.626 8.839 -3.951 1.00 0.00 C ATOM 621 NE ARG A 45 -11.785 7.958 -3.834 1.00 0.00 N ATOM 622 CZ ARG A 45 -12.885 8.090 -4.566 1.00 0.00 C ATOM 623 NH1 ARG A 45 -12.976 9.062 -5.463 1.00 0.00 N ATOM 624 NH2 ARG A 45 -13.898 7.249 -4.401 1.00 0.00 N ATOM 0 H ARG A 45 -6.836 9.421 -5.234 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.589 9.196 -7.548 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.765 10.426 -4.785 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.973 10.776 -6.006 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.741 8.544 -6.075 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.279 7.913 -5.343 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.894 8.578 -3.187 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.932 9.868 -3.761 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.747 7.200 -3.153 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.200 9.711 -5.592 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.822 9.161 -6.024 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.832 6.500 -3.711 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.743 7.351 -4.964 1.00 0.00 H new ATOM 638 N GLY A 46 -8.445 11.461 -8.574 1.00 0.00 N ATOM 639 CA GLY A 46 -8.202 12.715 -9.262 1.00 0.00 C ATOM 640 C GLY A 46 -9.400 13.643 -9.216 1.00 0.00 C ATOM 641 O GLY A 46 -10.520 13.231 -8.913 1.00 0.00 O ATOM 0 H GLY A 46 -9.079 10.824 -9.056 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.343 13.213 -8.811 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.943 12.512 -10.301 1.00 0.00 H new ATOM 645 N PRO A 47 -9.170 14.928 -9.521 1.00 0.00 N ATOM 646 CA PRO A 47 -10.227 15.944 -9.520 1.00 0.00 C ATOM 647 C PRO A 47 -11.220 15.749 -10.661 1.00 0.00 C ATOM 648 O PRO A 47 -12.193 16.493 -10.784 1.00 0.00 O ATOM 649 CB PRO A 47 -9.459 17.256 -9.698 1.00 0.00 C ATOM 650 CG PRO A 47 -8.199 16.866 -10.392 1.00 0.00 C ATOM 651 CD PRO A 47 -7.860 15.490 -9.892 1.00 0.00 C ATOM 0 HA PRO A 47 -10.828 15.906 -8.611 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -10.031 17.972 -10.288 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.252 17.727 -8.737 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.333 16.866 -11.474 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.397 17.570 -10.170 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.370 14.893 -10.661 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.183 15.528 -9.038 1.00 0.00 H new ATOM 659 N ASP A 48 -10.968 14.744 -11.493 1.00 0.00 N ATOM 660 CA ASP A 48 -11.841 14.451 -12.623 1.00 0.00 C ATOM 661 C ASP A 48 -13.033 13.606 -12.184 1.00 0.00 C ATOM 662 O ASP A 48 -14.160 13.830 -12.623 1.00 0.00 O ATOM 663 CB ASP A 48 -11.062 13.725 -13.721 1.00 0.00 C ATOM 664 CG ASP A 48 -10.125 14.648 -14.474 1.00 0.00 C ATOM 665 OD1 ASP A 48 -8.997 14.875 -13.987 1.00 0.00 O ATOM 666 OD2 ASP A 48 -10.518 15.144 -15.550 1.00 0.00 O ATOM 0 H ASP A 48 -10.167 14.119 -11.406 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.214 15.396 -13.017 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.487 12.912 -13.277 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.764 13.274 -14.422 1.00 0.00 H new ATOM 671 N GLY A 49 -12.775 12.633 -11.316 1.00 0.00 N ATOM 672 CA GLY A 49 -13.836 11.768 -10.834 1.00 0.00 C ATOM 673 C GLY A 49 -13.413 10.314 -10.765 1.00 0.00 C ATOM 674 O GLY A 49 -13.965 9.535 -9.987 1.00 0.00 O ATOM 0 H GLY A 49 -11.850 12.428 -10.938 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.149 12.099 -9.844 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.702 11.860 -11.490 1.00 0.00 H new ATOM 678 N LYS A 50 -12.432 9.946 -11.581 1.00 0.00 N ATOM 679 CA LYS A 50 -11.934 8.576 -11.611 1.00 0.00 C ATOM 680 C LYS A 50 -10.493 8.509 -11.117 1.00 0.00 C ATOM 681 O LYS A 50 -9.703 9.424 -11.351 1.00 0.00 O ATOM 682 CB LYS A 50 -12.025 8.009 -13.030 1.00 0.00 C ATOM 683 CG LYS A 50 -13.433 8.021 -13.601 1.00 0.00 C ATOM 684 CD LYS A 50 -13.547 7.124 -14.822 1.00 0.00 C ATOM 685 CE LYS A 50 -13.624 5.656 -14.430 1.00 0.00 C ATOM 686 NZ LYS A 50 -13.439 4.758 -15.604 1.00 0.00 N ATOM 0 H LYS A 50 -11.965 10.578 -12.231 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.555 7.976 -10.946 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.371 8.585 -13.685 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.652 6.985 -13.028 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.139 7.691 -12.839 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.709 9.041 -13.870 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.435 7.396 -15.393 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.688 7.283 -15.473 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.861 5.439 -13.683 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.590 5.454 -13.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.498 3.767 -15.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.182 4.947 -16.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.507 4.933 -16.031 1.00 0.00 H new ATOM 700 N LEU A 51 -10.156 7.420 -10.435 1.00 0.00 N ATOM 701 CA LEU A 51 -8.808 7.233 -9.909 1.00 0.00 C ATOM 702 C LEU A 51 -7.967 6.384 -10.856 1.00 0.00 C ATOM 703 O LEU A 51 -8.448 5.397 -11.413 1.00 0.00 O ATOM 704 CB LEU A 51 -8.865 6.574 -8.529 1.00 0.00 C ATOM 705 CG LEU A 51 -9.779 5.355 -8.404 1.00 0.00 C ATOM 706 CD1 LEU A 51 -9.261 4.209 -9.259 1.00 0.00 C ATOM 707 CD2 LEU A 51 -9.900 4.926 -6.950 1.00 0.00 C ATOM 0 H LEU A 51 -10.797 6.653 -10.233 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.341 8.213 -9.818 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.855 6.276 -8.249 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.189 7.321 -7.805 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.770 5.630 -8.764 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.924 3.350 -9.157 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.228 4.520 -10.303 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.259 3.934 -8.930 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.554 4.057 -6.880 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.914 4.670 -6.563 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.319 5.743 -6.363 1.00 0.00 H new ATOM 719 N GLN A 52 -6.709 6.773 -11.032 1.00 0.00 N ATOM 720 CA GLN A 52 -5.800 6.046 -11.911 1.00 0.00 C ATOM 721 C GLN A 52 -4.353 6.225 -11.466 1.00 0.00 C ATOM 722 O GLN A 52 -3.756 7.282 -11.670 1.00 0.00 O ATOM 723 CB GLN A 52 -5.964 6.523 -13.356 1.00 0.00 C ATOM 724 CG GLN A 52 -7.308 6.161 -13.967 1.00 0.00 C ATOM 725 CD GLN A 52 -7.256 6.072 -15.480 1.00 0.00 C ATOM 726 OE1 GLN A 52 -6.198 5.836 -16.063 1.00 0.00 O ATOM 727 NE2 GLN A 52 -8.402 6.262 -16.123 1.00 0.00 N ATOM 0 H GLN A 52 -6.295 7.587 -10.578 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.050 4.987 -11.854 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.839 7.605 -13.389 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.169 6.092 -13.965 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.642 5.206 -13.562 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.048 6.907 -13.676 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.255 6.455 -15.598 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.429 6.215 -17.142 1.00 0.00 H new ATOM 736 N TRP A 53 -3.794 5.185 -10.857 1.00 0.00 N ATOM 737 CA TRP A 53 -2.416 5.227 -10.382 1.00 0.00 C ATOM 738 C TRP A 53 -1.801 3.832 -10.371 1.00 0.00 C ATOM 739 O TRP A 53 -2.210 2.971 -9.593 1.00 0.00 O ATOM 740 CB TRP A 53 -2.357 5.835 -8.979 1.00 0.00 C ATOM 741 CG TRP A 53 -0.971 6.217 -8.556 1.00 0.00 C ATOM 742 CD1 TRP A 53 0.035 6.675 -9.359 1.00 0.00 C ATOM 743 CD2 TRP A 53 -0.437 6.172 -7.228 1.00 0.00 C ATOM 744 NE1 TRP A 53 1.161 6.917 -8.610 1.00 0.00 N ATOM 745 CE2 TRP A 53 0.897 6.618 -7.299 1.00 0.00 C ATOM 746 CE3 TRP A 53 -0.958 5.801 -5.985 1.00 0.00 C ATOM 747 CZ2 TRP A 53 1.715 6.700 -6.176 1.00 0.00 C ATOM 748 CZ3 TRP A 53 -0.144 5.883 -4.871 1.00 0.00 C ATOM 749 CH2 TRP A 53 1.180 6.330 -4.972 1.00 0.00 C ATOM 0 H TRP A 53 -4.274 4.302 -10.681 1.00 0.00 H new ATOM 0 HA TRP A 53 -1.841 5.852 -11.066 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -2.996 6.718 -8.946 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -2.764 5.120 -8.264 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.043 6.825 -10.426 1.00 0.00 H new ATOM 0 HE1 TRP A 53 2.050 7.263 -8.971 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -1.978 5.457 -5.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.736 7.044 -6.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.535 5.598 -3.906 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.790 6.384 -4.082 1.00 0.00 H new ATOM 760 N GLU A 54 -0.816 3.617 -11.238 1.00 0.00 N ATOM 761 CA GLU A 54 -0.146 2.325 -11.327 1.00 0.00 C ATOM 762 C GLU A 54 1.206 2.364 -10.621 1.00 0.00 C ATOM 763 O GLU A 54 2.182 2.889 -11.157 1.00 0.00 O ATOM 764 CB GLU A 54 0.041 1.923 -12.791 1.00 0.00 C ATOM 765 CG GLU A 54 0.459 0.473 -12.975 1.00 0.00 C ATOM 766 CD GLU A 54 0.597 0.087 -14.435 1.00 0.00 C ATOM 767 OE1 GLU A 54 -0.421 0.115 -15.156 1.00 0.00 O ATOM 768 OE2 GLU A 54 1.726 -0.243 -14.856 1.00 0.00 O ATOM 0 H GLU A 54 -0.465 4.320 -11.888 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.773 1.584 -10.832 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.892 2.095 -13.328 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.793 2.569 -13.243 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.409 0.305 -12.467 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.276 -0.176 -12.499 1.00 0.00 H new ATOM 775 N GLU A 55 1.255 1.806 -9.416 1.00 0.00 N ATOM 776 CA GLU A 55 2.487 1.778 -8.636 1.00 0.00 C ATOM 777 C GLU A 55 2.623 0.460 -7.880 1.00 0.00 C ATOM 778 O GLU A 55 1.850 0.175 -6.965 1.00 0.00 O ATOM 779 CB GLU A 55 2.521 2.949 -7.652 1.00 0.00 C ATOM 780 CG GLU A 55 3.158 4.205 -8.223 1.00 0.00 C ATOM 781 CD GLU A 55 4.568 3.967 -8.726 1.00 0.00 C ATOM 782 OE1 GLU A 55 5.372 3.368 -7.981 1.00 0.00 O ATOM 783 OE2 GLU A 55 4.868 4.379 -9.867 1.00 0.00 O ATOM 0 H GLU A 55 0.456 1.367 -8.958 1.00 0.00 H new ATOM 0 HA GLU A 55 3.325 1.869 -9.326 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.503 3.179 -7.338 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.069 2.647 -6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.543 4.580 -9.041 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.176 4.980 -7.456 1.00 0.00 H new ATOM 790 N GLU A 56 3.610 -0.340 -8.269 1.00 0.00 N ATOM 791 CA GLU A 56 3.846 -1.629 -7.628 1.00 0.00 C ATOM 792 C GLU A 56 4.878 -1.500 -6.511 1.00 0.00 C ATOM 793 O GLU A 56 5.791 -0.678 -6.587 1.00 0.00 O ATOM 794 CB GLU A 56 4.319 -2.657 -8.659 1.00 0.00 C ATOM 795 CG GLU A 56 4.714 -3.992 -8.050 1.00 0.00 C ATOM 796 CD GLU A 56 3.514 -4.817 -7.625 1.00 0.00 C ATOM 797 OE1 GLU A 56 2.687 -4.304 -6.843 1.00 0.00 O ATOM 798 OE2 GLU A 56 3.403 -5.976 -8.076 1.00 0.00 O ATOM 0 H GLU A 56 4.259 -0.119 -9.024 1.00 0.00 H new ATOM 0 HA GLU A 56 2.906 -1.968 -7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.525 -2.820 -9.388 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.171 -2.249 -9.202 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.301 -4.558 -8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.355 -3.818 -7.186 1.00 0.00 H new ATOM 805 N ALA A 57 4.725 -2.319 -5.476 1.00 0.00 N ATOM 806 CA ALA A 57 5.643 -2.299 -4.344 1.00 0.00 C ATOM 807 C ALA A 57 6.409 -3.613 -4.234 1.00 0.00 C ATOM 808 O ALA A 57 5.825 -4.693 -4.323 1.00 0.00 O ATOM 809 CB ALA A 57 4.886 -2.018 -3.055 1.00 0.00 C ATOM 0 H ALA A 57 3.974 -3.005 -5.398 1.00 0.00 H new ATOM 0 HA ALA A 57 6.366 -1.500 -4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.584 -2.006 -2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.390 -1.050 -3.128 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.140 -2.796 -2.894 1.00 0.00 H new ATOM 815 N THR A 58 7.721 -3.514 -4.042 1.00 0.00 N ATOM 816 CA THR A 58 8.567 -4.694 -3.923 1.00 0.00 C ATOM 817 C THR A 58 8.166 -5.538 -2.718 1.00 0.00 C ATOM 818 O THR A 58 8.593 -5.276 -1.594 1.00 0.00 O ATOM 819 CB THR A 58 10.053 -4.310 -3.794 1.00 0.00 C ATOM 820 OG1 THR A 58 10.432 -3.450 -4.875 1.00 0.00 O ATOM 821 CG2 THR A 58 10.935 -5.549 -3.793 1.00 0.00 C ATOM 0 H THR A 58 8.220 -2.628 -3.966 1.00 0.00 H new ATOM 0 HA THR A 58 8.428 -5.276 -4.834 1.00 0.00 H new ATOM 0 HB THR A 58 10.189 -3.786 -2.848 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.378 -3.209 -4.785 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.980 -5.252 -3.701 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.664 -6.188 -2.952 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.794 -6.097 -4.725 1.00 0.00 H new ATOM 829 N VAL A 59 7.344 -6.554 -2.961 1.00 0.00 N ATOM 830 CA VAL A 59 6.887 -7.439 -1.895 1.00 0.00 C ATOM 831 C VAL A 59 7.795 -8.657 -1.765 1.00 0.00 C ATOM 832 O VAL A 59 7.854 -9.498 -2.661 1.00 0.00 O ATOM 833 CB VAL A 59 5.442 -7.912 -2.140 1.00 0.00 C ATOM 834 CG1 VAL A 59 5.077 -9.033 -1.179 1.00 0.00 C ATOM 835 CG2 VAL A 59 4.471 -6.749 -2.010 1.00 0.00 C ATOM 0 H VAL A 59 6.981 -6.785 -3.886 1.00 0.00 H new ATOM 0 HA VAL A 59 6.921 -6.864 -0.969 1.00 0.00 H new ATOM 0 HB VAL A 59 5.373 -8.300 -3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.053 -9.354 -1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.754 -9.874 -1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.162 -8.675 -0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.455 -7.102 -2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.540 -6.328 -1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.721 -5.982 -2.743 1.00 0.00 H new ATOM 845 N ASN A 60 8.500 -8.745 -0.642 1.00 0.00 N ATOM 846 CA ASN A 60 9.405 -9.861 -0.394 1.00 0.00 C ATOM 847 C ASN A 60 8.632 -11.105 0.033 1.00 0.00 C ATOM 848 O ASN A 60 8.030 -11.136 1.107 1.00 0.00 O ATOM 849 CB ASN A 60 10.426 -9.488 0.682 1.00 0.00 C ATOM 850 CG ASN A 60 11.750 -10.204 0.497 1.00 0.00 C ATOM 851 OD1 ASN A 60 11.824 -11.231 -0.177 1.00 0.00 O ATOM 852 ND2 ASN A 60 12.804 -9.663 1.098 1.00 0.00 N ATOM 0 H ASN A 60 8.462 -8.057 0.110 1.00 0.00 H new ATOM 0 HA ASN A 60 9.930 -10.082 -1.323 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.593 -8.411 0.663 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.019 -9.730 1.664 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.721 -10.100 1.010 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.696 -8.810 1.647 1.00 0.00 H new ATOM 859 N ARG A 61 8.652 -12.128 -0.815 1.00 0.00 N ATOM 860 CA ARG A 61 7.952 -13.374 -0.526 1.00 0.00 C ATOM 861 C ARG A 61 8.604 -14.105 0.645 1.00 0.00 C ATOM 862 O ARG A 61 7.920 -14.582 1.551 1.00 0.00 O ATOM 863 CB ARG A 61 7.941 -14.276 -1.761 1.00 0.00 C ATOM 864 CG ARG A 61 6.780 -14.004 -2.704 1.00 0.00 C ATOM 865 CD ARG A 61 7.149 -12.971 -3.758 1.00 0.00 C ATOM 866 NE ARG A 61 7.825 -13.575 -4.902 1.00 0.00 N ATOM 867 CZ ARG A 61 9.146 -13.623 -5.034 1.00 0.00 C ATOM 868 NH1 ARG A 61 9.928 -13.106 -4.097 1.00 0.00 N ATOM 869 NH2 ARG A 61 9.687 -14.189 -6.105 1.00 0.00 N ATOM 0 H ARG A 61 9.145 -12.119 -1.708 1.00 0.00 H new ATOM 0 HA ARG A 61 6.925 -13.130 -0.254 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.877 -14.146 -2.304 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.901 -15.317 -1.440 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.481 -14.932 -3.191 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.921 -13.652 -2.133 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.247 -12.461 -4.097 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.795 -12.214 -3.313 1.00 0.00 H new ATOM 0 HE ARG A 61 7.252 -13.983 -5.641 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.516 -12.670 -3.272 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.942 -13.144 -4.201 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.089 -14.588 -6.828 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.701 -14.225 -6.205 1.00 0.00 H new ATOM 883 N LEU A 62 9.929 -14.189 0.618 1.00 0.00 N ATOM 884 CA LEU A 62 10.674 -14.862 1.677 1.00 0.00 C ATOM 885 C LEU A 62 10.318 -14.287 3.044 1.00 0.00 C ATOM 886 O LEU A 62 10.426 -14.970 4.062 1.00 0.00 O ATOM 887 CB LEU A 62 12.178 -14.731 1.432 1.00 0.00 C ATOM 888 CG LEU A 62 12.788 -13.359 1.721 1.00 0.00 C ATOM 889 CD1 LEU A 62 13.232 -13.268 3.173 1.00 0.00 C ATOM 890 CD2 LEU A 62 13.958 -13.087 0.786 1.00 0.00 C ATOM 0 H LEU A 62 10.510 -13.800 -0.125 1.00 0.00 H new ATOM 0 HA LEU A 62 10.401 -15.917 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 62 12.692 -15.471 2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 62 12.380 -14.984 0.391 1.00 0.00 H new ATOM 0 HG LEU A 62 12.026 -12.600 1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.664 -12.285 3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.372 -13.418 3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 62 13.979 -14.036 3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 62 14.379 -12.106 1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 62 14.723 -13.851 0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.611 -13.109 -0.247 1.00 0.00 H new ATOM 902 N GLN A 63 9.892 -13.028 3.057 1.00 0.00 N ATOM 903 CA GLN A 63 9.518 -12.362 4.300 1.00 0.00 C ATOM 904 C GLN A 63 8.023 -12.506 4.566 1.00 0.00 C ATOM 905 O GLN A 63 7.604 -12.730 5.702 1.00 0.00 O ATOM 906 CB GLN A 63 9.898 -10.881 4.243 1.00 0.00 C ATOM 907 CG GLN A 63 11.367 -10.642 3.933 1.00 0.00 C ATOM 908 CD GLN A 63 11.878 -9.334 4.504 1.00 0.00 C ATOM 909 OE1 GLN A 63 12.367 -9.285 5.633 1.00 0.00 O ATOM 910 NE2 GLN A 63 11.767 -8.264 3.725 1.00 0.00 N ATOM 0 H GLN A 63 9.797 -12.449 2.223 1.00 0.00 H new ATOM 0 HA GLN A 63 10.061 -12.838 5.116 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.290 -10.387 3.485 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.656 -10.415 5.198 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.958 -11.465 4.335 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.511 -10.644 2.853 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.355 -8.350 2.796 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.094 -7.356 4.056 1.00 0.00 H new ATOM 919 N SER A 64 7.224 -12.376 3.512 1.00 0.00 N ATOM 920 CA SER A 64 5.775 -12.487 3.633 1.00 0.00 C ATOM 921 C SER A 64 5.377 -13.869 4.142 1.00 0.00 C ATOM 922 O SER A 64 5.907 -14.884 3.693 1.00 0.00 O ATOM 923 CB SER A 64 5.107 -12.216 2.284 1.00 0.00 C ATOM 924 OG SER A 64 3.702 -12.378 2.369 1.00 0.00 O ATOM 0 H SER A 64 7.555 -12.194 2.565 1.00 0.00 H new ATOM 0 HA SER A 64 5.437 -11.742 4.354 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.340 -11.203 1.956 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.510 -12.895 1.532 1.00 0.00 H new ATOM 0 HG SER A 64 3.401 -12.156 3.275 1.00 0.00 H new ATOM 930 N ASN A 65 4.439 -13.898 5.083 1.00 0.00 N ATOM 931 CA ASN A 65 3.969 -15.155 5.655 1.00 0.00 C ATOM 932 C ASN A 65 2.457 -15.289 5.505 1.00 0.00 C ATOM 933 O ASN A 65 1.798 -14.408 4.955 1.00 0.00 O ATOM 934 CB ASN A 65 4.356 -15.243 7.133 1.00 0.00 C ATOM 935 CG ASN A 65 4.483 -16.676 7.613 1.00 0.00 C ATOM 936 OD1 ASN A 65 5.040 -17.528 6.920 1.00 0.00 O ATOM 937 ND2 ASN A 65 3.965 -16.948 8.805 1.00 0.00 N ATOM 0 H ASN A 65 3.989 -13.066 5.466 1.00 0.00 H new ATOM 0 HA ASN A 65 4.444 -15.972 5.113 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.302 -14.725 7.289 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.607 -14.727 7.733 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.020 -17.895 9.181 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.512 -16.210 9.345 1.00 0.00 H new ATOM 944 N GLU A 66 1.915 -16.398 5.999 1.00 0.00 N ATOM 945 CA GLU A 66 0.480 -16.647 5.919 1.00 0.00 C ATOM 946 C GLU A 66 -0.304 -15.535 6.609 1.00 0.00 C ATOM 947 O GLU A 66 -1.429 -15.219 6.219 1.00 0.00 O ATOM 948 CB GLU A 66 0.138 -17.997 6.554 1.00 0.00 C ATOM 949 CG GLU A 66 -1.354 -18.274 6.628 1.00 0.00 C ATOM 950 CD GLU A 66 -1.882 -18.957 5.381 1.00 0.00 C ATOM 951 OE1 GLU A 66 -1.765 -20.196 5.287 1.00 0.00 O ATOM 952 OE2 GLU A 66 -2.414 -18.250 4.499 1.00 0.00 O ATOM 0 H GLU A 66 2.447 -17.137 6.458 1.00 0.00 H new ATOM 0 HA GLU A 66 0.199 -16.667 4.866 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.618 -18.790 5.981 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.556 -18.032 7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.561 -18.900 7.496 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.887 -17.335 6.777 1.00 0.00 H new ATOM 959 N VAL A 67 0.297 -14.944 7.637 1.00 0.00 N ATOM 960 CA VAL A 67 -0.344 -13.867 8.381 1.00 0.00 C ATOM 961 C VAL A 67 0.572 -12.653 8.490 1.00 0.00 C ATOM 962 O VAL A 67 0.543 -11.926 9.483 1.00 0.00 O ATOM 963 CB VAL A 67 -0.744 -14.323 9.797 1.00 0.00 C ATOM 964 CG1 VAL A 67 -1.565 -15.602 9.734 1.00 0.00 C ATOM 965 CG2 VAL A 67 0.492 -14.516 10.663 1.00 0.00 C ATOM 0 H VAL A 67 1.227 -15.193 7.973 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.243 -13.592 7.828 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.360 -13.546 10.250 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.838 -15.909 10.744 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.469 -15.426 9.151 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.977 -16.389 9.262 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.191 -14.838 11.660 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.135 -15.274 10.215 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.037 -13.574 10.735 1.00 0.00 H new ATOM 975 N THR A 68 1.387 -12.439 7.462 1.00 0.00 N ATOM 976 CA THR A 68 2.313 -11.314 7.442 1.00 0.00 C ATOM 977 C THR A 68 2.611 -10.873 6.013 1.00 0.00 C ATOM 978 O THR A 68 2.768 -11.703 5.116 1.00 0.00 O ATOM 979 CB THR A 68 3.638 -11.664 8.146 1.00 0.00 C ATOM 980 OG1 THR A 68 3.401 -11.925 9.534 1.00 0.00 O ATOM 981 CG2 THR A 68 4.643 -10.532 8.001 1.00 0.00 C ATOM 0 H THR A 68 1.424 -13.031 6.632 1.00 0.00 H new ATOM 0 HA THR A 68 1.830 -10.497 7.979 1.00 0.00 H new ATOM 0 HB THR A 68 4.050 -12.556 7.675 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.248 -12.148 9.974 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.570 -10.802 8.506 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.843 -10.356 6.944 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.237 -9.625 8.449 1.00 0.00 H new ATOM 989 N LEU A 69 2.689 -9.563 5.808 1.00 0.00 N ATOM 990 CA LEU A 69 2.969 -9.011 4.487 1.00 0.00 C ATOM 991 C LEU A 69 4.024 -7.912 4.569 1.00 0.00 C ATOM 992 O LEU A 69 3.732 -6.784 4.967 1.00 0.00 O ATOM 993 CB LEU A 69 1.688 -8.458 3.861 1.00 0.00 C ATOM 994 CG LEU A 69 0.830 -9.462 3.091 1.00 0.00 C ATOM 995 CD1 LEU A 69 -0.521 -8.855 2.744 1.00 0.00 C ATOM 996 CD2 LEU A 69 1.549 -9.923 1.831 1.00 0.00 C ATOM 0 H LEU A 69 2.562 -8.863 6.539 1.00 0.00 H new ATOM 0 HA LEU A 69 3.355 -9.814 3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.079 -8.022 4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.959 -7.647 3.184 1.00 0.00 H new ATOM 0 HG LEU A 69 0.662 -10.330 3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.118 -9.584 2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.041 -8.576 3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.374 -7.969 2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.923 -10.637 1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.748 -9.064 1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.491 -10.399 2.103 1.00 0.00 H new ATOM 1008 N THR A 70 5.252 -8.248 4.187 1.00 0.00 N ATOM 1009 CA THR A 70 6.350 -7.290 4.216 1.00 0.00 C ATOM 1010 C THR A 70 6.652 -6.757 2.820 1.00 0.00 C ATOM 1011 O THR A 70 7.004 -7.517 1.916 1.00 0.00 O ATOM 1012 CB THR A 70 7.629 -7.920 4.800 1.00 0.00 C ATOM 1013 OG1 THR A 70 7.366 -8.440 6.108 1.00 0.00 O ATOM 1014 CG2 THR A 70 8.752 -6.895 4.873 1.00 0.00 C ATOM 0 H THR A 70 5.511 -9.177 3.854 1.00 0.00 H new ATOM 0 HA THR A 70 6.034 -6.466 4.856 1.00 0.00 H new ATOM 0 HB THR A 70 7.941 -8.732 4.143 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.183 -8.840 6.471 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.645 -7.362 5.288 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.970 -6.522 3.872 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.447 -6.065 5.511 1.00 0.00 H new ATOM 1022 N LEU A 71 6.513 -5.447 2.649 1.00 0.00 N ATOM 1023 CA LEU A 71 6.772 -4.812 1.362 1.00 0.00 C ATOM 1024 C LEU A 71 7.414 -3.441 1.550 1.00 0.00 C ATOM 1025 O LEU A 71 7.536 -2.949 2.673 1.00 0.00 O ATOM 1026 CB LEU A 71 5.471 -4.674 0.568 1.00 0.00 C ATOM 1027 CG LEU A 71 4.450 -3.679 1.122 1.00 0.00 C ATOM 1028 CD1 LEU A 71 3.517 -3.202 0.019 1.00 0.00 C ATOM 1029 CD2 LEU A 71 3.657 -4.307 2.259 1.00 0.00 C ATOM 0 H LEU A 71 6.222 -4.804 3.386 1.00 0.00 H new ATOM 0 HA LEU A 71 7.465 -5.444 0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.720 -4.379 -0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.998 -5.655 0.510 1.00 0.00 H new ATOM 0 HG LEU A 71 4.988 -2.816 1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.797 -2.495 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.098 -2.714 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.986 -4.055 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.935 -3.585 2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.130 -5.188 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.337 -4.599 3.059 1.00 0.00 H new ATOM 1041 N THR A 72 7.821 -2.827 0.444 1.00 0.00 N ATOM 1042 CA THR A 72 8.450 -1.513 0.487 1.00 0.00 C ATOM 1043 C THR A 72 7.510 -0.436 -0.045 1.00 0.00 C ATOM 1044 O THR A 72 6.963 -0.562 -1.140 1.00 0.00 O ATOM 1045 CB THR A 72 9.755 -1.487 -0.330 1.00 0.00 C ATOM 1046 OG1 THR A 72 10.596 -2.581 0.055 1.00 0.00 O ATOM 1047 CG2 THR A 72 10.497 -0.175 -0.125 1.00 0.00 C ATOM 0 H THR A 72 7.726 -3.219 -0.493 1.00 0.00 H new ATOM 0 HA THR A 72 8.680 -1.308 1.532 1.00 0.00 H new ATOM 0 HB THR A 72 9.498 -1.580 -1.385 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.423 -2.558 -0.470 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.415 -0.181 -0.712 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.866 0.654 -0.446 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.742 -0.057 0.930 1.00 0.00 H new ATOM 1055 N VAL A 73 7.327 0.622 0.738 1.00 0.00 N ATOM 1056 CA VAL A 73 6.454 1.722 0.345 1.00 0.00 C ATOM 1057 C VAL A 73 6.939 2.374 -0.945 1.00 0.00 C ATOM 1058 O VAL A 73 8.090 2.794 -1.063 1.00 0.00 O ATOM 1059 CB VAL A 73 6.370 2.794 1.448 1.00 0.00 C ATOM 1060 CG1 VAL A 73 5.366 3.872 1.070 1.00 0.00 C ATOM 1061 CG2 VAL A 73 6.005 2.158 2.781 1.00 0.00 C ATOM 0 H VAL A 73 7.772 0.741 1.648 1.00 0.00 H new ATOM 0 HA VAL A 73 5.463 1.298 0.185 1.00 0.00 H new ATOM 0 HB VAL A 73 7.349 3.263 1.550 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.320 4.620 1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.675 4.347 0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.382 3.423 0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.950 2.929 3.549 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.038 1.662 2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.765 1.426 3.055 1.00 0.00 H new ATOM 1071 N PRO A 74 6.040 2.461 -1.937 1.00 0.00 N ATOM 1072 CA PRO A 74 6.353 3.062 -3.237 1.00 0.00 C ATOM 1073 C PRO A 74 6.546 4.572 -3.147 1.00 0.00 C ATOM 1074 O PRO A 74 6.431 5.158 -2.071 1.00 0.00 O ATOM 1075 CB PRO A 74 5.123 2.730 -4.086 1.00 0.00 C ATOM 1076 CG PRO A 74 4.018 2.559 -3.102 1.00 0.00 C ATOM 1077 CD PRO A 74 4.650 1.981 -1.866 1.00 0.00 C ATOM 0 HA PRO A 74 7.288 2.680 -3.648 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.903 3.530 -4.793 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.278 1.822 -4.669 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.538 3.513 -2.885 1.00 0.00 H new ATOM 0 HG3 PRO A 74 3.247 1.895 -3.493 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.151 2.327 -0.961 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.601 0.892 -1.861 1.00 0.00 H new ATOM 1085 N GLU A 75 6.839 5.196 -4.284 1.00 0.00 N ATOM 1086 CA GLU A 75 7.048 6.638 -4.331 1.00 0.00 C ATOM 1087 C GLU A 75 5.835 7.344 -4.930 1.00 0.00 C ATOM 1088 O GLU A 75 5.349 6.969 -5.998 1.00 0.00 O ATOM 1089 CB GLU A 75 8.299 6.968 -5.148 1.00 0.00 C ATOM 1090 CG GLU A 75 8.257 8.341 -5.798 1.00 0.00 C ATOM 1091 CD GLU A 75 9.639 8.896 -6.080 1.00 0.00 C ATOM 1092 OE1 GLU A 75 10.589 8.509 -5.367 1.00 0.00 O ATOM 1093 OE2 GLU A 75 9.771 9.717 -7.011 1.00 0.00 O ATOM 0 H GLU A 75 6.937 4.726 -5.184 1.00 0.00 H new ATOM 0 HA GLU A 75 7.186 6.993 -3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.173 6.909 -4.499 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.426 6.212 -5.923 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.697 8.280 -6.731 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.719 9.030 -5.148 1.00 0.00 H new ATOM 1100 N TYR A 76 5.351 8.368 -4.235 1.00 0.00 N ATOM 1101 CA TYR A 76 4.193 9.125 -4.696 1.00 0.00 C ATOM 1102 C TYR A 76 4.539 9.950 -5.933 1.00 0.00 C ATOM 1103 O TYR A 76 5.708 10.214 -6.210 1.00 0.00 O ATOM 1104 CB TYR A 76 3.682 10.043 -3.584 1.00 0.00 C ATOM 1105 CG TYR A 76 2.338 10.667 -3.884 1.00 0.00 C ATOM 1106 CD1 TYR A 76 1.292 9.903 -4.387 1.00 0.00 C ATOM 1107 CD2 TYR A 76 2.114 12.020 -3.665 1.00 0.00 C ATOM 1108 CE1 TYR A 76 0.062 10.468 -4.664 1.00 0.00 C ATOM 1109 CE2 TYR A 76 0.887 12.594 -3.937 1.00 0.00 C ATOM 1110 CZ TYR A 76 -0.135 11.814 -4.436 1.00 0.00 C ATOM 1111 OH TYR A 76 -1.358 12.383 -4.710 1.00 0.00 O ATOM 0 H TYR A 76 5.743 8.693 -3.351 1.00 0.00 H new ATOM 0 HA TYR A 76 3.409 8.416 -4.962 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.610 9.473 -2.658 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.411 10.835 -3.414 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.443 8.848 -4.565 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.913 12.634 -3.275 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.740 9.860 -5.056 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.729 13.648 -3.760 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.330 13.338 -4.493 1.00 0.00 H new ATOM 1121 N SER A 77 3.511 10.354 -6.672 1.00 0.00 N ATOM 1122 CA SER A 77 3.704 11.146 -7.881 1.00 0.00 C ATOM 1123 C SER A 77 3.932 12.615 -7.538 1.00 0.00 C ATOM 1124 O SER A 77 4.931 13.209 -7.940 1.00 0.00 O ATOM 1125 CB SER A 77 2.492 11.009 -8.805 1.00 0.00 C ATOM 1126 OG SER A 77 2.559 11.935 -9.876 1.00 0.00 O ATOM 0 H SER A 77 2.536 10.146 -6.455 1.00 0.00 H new ATOM 0 HA SER A 77 4.588 10.769 -8.395 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.445 9.994 -9.200 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.577 11.172 -8.236 1.00 0.00 H new ATOM 0 HG SER A 77 1.774 11.826 -10.452 1.00 0.00 H new ATOM 1132 N ASN A 78 2.997 13.193 -6.791 1.00 0.00 N ATOM 1133 CA ASN A 78 3.095 14.593 -6.393 1.00 0.00 C ATOM 1134 C ASN A 78 3.783 14.726 -5.038 1.00 0.00 C ATOM 1135 O ASN A 78 3.129 14.736 -3.995 1.00 0.00 O ATOM 1136 CB ASN A 78 1.704 15.227 -6.335 1.00 0.00 C ATOM 1137 CG ASN A 78 1.229 15.704 -7.695 1.00 0.00 C ATOM 1138 OD1 ASN A 78 1.117 14.918 -8.636 1.00 0.00 O ATOM 1139 ND2 ASN A 78 0.949 16.997 -7.803 1.00 0.00 N ATOM 0 H ASN A 78 2.164 12.714 -6.449 1.00 0.00 H new ATOM 0 HA ASN A 78 3.694 15.116 -7.138 1.00 0.00 H new ATOM 0 HB2 ASN A 78 0.993 14.502 -5.939 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.720 16.069 -5.643 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.626 17.376 -8.693 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.057 17.611 -6.996 1.00 0.00 H new ATOM 1146 N LYS A 79 5.108 14.830 -5.060 1.00 0.00 N ATOM 1147 CA LYS A 79 5.886 14.965 -3.835 1.00 0.00 C ATOM 1148 C LYS A 79 6.127 16.434 -3.503 1.00 0.00 C ATOM 1149 O LYS A 79 5.964 16.856 -2.358 1.00 0.00 O ATOM 1150 CB LYS A 79 7.225 14.236 -3.974 1.00 0.00 C ATOM 1151 CG LYS A 79 7.092 12.724 -4.025 1.00 0.00 C ATOM 1152 CD LYS A 79 8.341 12.037 -3.500 1.00 0.00 C ATOM 1153 CE LYS A 79 9.371 11.836 -4.601 1.00 0.00 C ATOM 1154 NZ LYS A 79 10.264 13.018 -4.748 1.00 0.00 N ATOM 0 H LYS A 79 5.665 14.823 -5.914 1.00 0.00 H new ATOM 0 HA LYS A 79 5.317 14.515 -3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.724 14.579 -4.880 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.866 14.508 -3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.230 12.414 -3.435 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.906 12.409 -5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.776 12.634 -2.698 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.073 11.072 -3.070 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.971 10.953 -4.380 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.861 11.647 -5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.052 12.781 -5.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.725 13.813 -5.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.640 13.287 -3.816 1.00 0.00 H new ATOM 1168 N ARG A 80 6.515 17.208 -4.511 1.00 0.00 N ATOM 1169 CA ARG A 80 6.778 18.630 -4.325 1.00 0.00 C ATOM 1170 C ARG A 80 5.783 19.243 -3.344 1.00 0.00 C ATOM 1171 O ARG A 80 6.148 20.074 -2.511 1.00 0.00 O ATOM 1172 CB ARG A 80 6.706 19.364 -5.666 1.00 0.00 C ATOM 1173 CG ARG A 80 7.902 19.103 -6.567 1.00 0.00 C ATOM 1174 CD ARG A 80 8.194 20.296 -7.464 1.00 0.00 C ATOM 1175 NE ARG A 80 7.180 20.460 -8.503 1.00 0.00 N ATOM 1176 CZ ARG A 80 7.003 21.586 -9.185 1.00 0.00 C ATOM 1177 NH1 ARG A 80 7.767 22.641 -8.939 1.00 0.00 N ATOM 1178 NH2 ARG A 80 6.060 21.658 -10.116 1.00 0.00 N ATOM 0 H ARG A 80 6.654 16.874 -5.465 1.00 0.00 H new ATOM 0 HA ARG A 80 7.782 18.737 -3.913 1.00 0.00 H new ATOM 0 HB2 ARG A 80 5.797 19.064 -6.187 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.628 20.435 -5.481 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.778 18.882 -5.957 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.711 18.223 -7.181 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.243 21.201 -6.859 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.172 20.170 -7.928 1.00 0.00 H new ATOM 0 HE ARG A 80 6.575 19.667 -8.716 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.493 22.589 -8.224 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.629 23.504 -9.464 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.470 20.848 -10.308 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.925 22.523 -10.639 1.00 0.00 H new ATOM 1192 N VAL A 81 4.525 18.829 -3.448 1.00 0.00 N ATOM 1193 CA VAL A 81 3.477 19.336 -2.570 1.00 0.00 C ATOM 1194 C VAL A 81 4.012 19.587 -1.165 1.00 0.00 C ATOM 1195 O VAL A 81 4.732 18.760 -0.607 1.00 0.00 O ATOM 1196 CB VAL A 81 2.290 18.358 -2.489 1.00 0.00 C ATOM 1197 CG1 VAL A 81 1.628 18.207 -3.850 1.00 0.00 C ATOM 1198 CG2 VAL A 81 2.749 17.008 -1.957 1.00 0.00 C ATOM 0 H VAL A 81 4.206 18.143 -4.132 1.00 0.00 H new ATOM 0 HA VAL A 81 3.133 20.277 -2.998 1.00 0.00 H new ATOM 0 HB VAL A 81 1.553 18.765 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.792 17.512 -3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.264 19.177 -4.187 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.354 17.823 -4.567 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.898 16.329 -1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.506 16.593 -2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.173 17.134 -0.961 1.00 0.00 H new ATOM 1208 N SER A 82 3.654 20.735 -0.598 1.00 0.00 N ATOM 1209 CA SER A 82 4.100 21.098 0.742 1.00 0.00 C ATOM 1210 C SER A 82 3.201 20.470 1.803 1.00 0.00 C ATOM 1211 O SER A 82 3.534 20.461 2.988 1.00 0.00 O ATOM 1212 CB SER A 82 4.114 22.619 0.904 1.00 0.00 C ATOM 1213 OG SER A 82 4.503 22.989 2.215 1.00 0.00 O ATOM 0 H SER A 82 3.056 21.430 -1.046 1.00 0.00 H new ATOM 0 HA SER A 82 5.112 20.717 0.876 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.800 23.059 0.180 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.124 23.020 0.688 1.00 0.00 H new ATOM 0 HG SER A 82 4.366 22.233 2.823 1.00 0.00 H new ATOM 1219 N ARG A 83 2.059 19.947 1.367 1.00 0.00 N ATOM 1220 CA ARG A 83 1.110 19.319 2.278 1.00 0.00 C ATOM 1221 C ARG A 83 1.042 17.814 2.039 1.00 0.00 C ATOM 1222 O ARG A 83 1.341 17.319 0.952 1.00 0.00 O ATOM 1223 CB ARG A 83 -0.279 19.937 2.107 1.00 0.00 C ATOM 1224 CG ARG A 83 -0.456 21.252 2.849 1.00 0.00 C ATOM 1225 CD ARG A 83 -1.887 21.757 2.754 1.00 0.00 C ATOM 1226 NE ARG A 83 -2.101 22.953 3.564 1.00 0.00 N ATOM 1227 CZ ARG A 83 -1.800 24.181 3.155 1.00 0.00 C ATOM 1228 NH1 ARG A 83 -1.276 24.372 1.952 1.00 0.00 N ATOM 1229 NH2 ARG A 83 -2.024 25.219 3.949 1.00 0.00 N ATOM 0 H ARG A 83 1.769 19.946 0.389 1.00 0.00 H new ATOM 0 HA ARG A 83 1.454 19.492 3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.467 20.100 1.046 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.029 19.228 2.458 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.185 21.119 3.896 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.223 21.998 2.436 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.125 21.977 1.713 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.570 20.972 3.079 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.503 22.840 4.494 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.103 23.576 1.339 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.046 25.315 1.640 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.428 25.075 4.875 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.793 26.161 3.634 1.00 0.00 H new ATOM 1243 N PRO A 84 0.640 17.067 3.078 1.00 0.00 N ATOM 1244 CA PRO A 84 0.523 15.607 3.006 1.00 0.00 C ATOM 1245 C PRO A 84 -0.630 15.161 2.113 1.00 0.00 C ATOM 1246 O PRO A 84 -1.600 15.895 1.923 1.00 0.00 O ATOM 1247 CB PRO A 84 0.264 15.199 4.458 1.00 0.00 C ATOM 1248 CG PRO A 84 -0.354 16.402 5.084 1.00 0.00 C ATOM 1249 CD PRO A 84 0.268 17.589 4.404 1.00 0.00 C ATOM 0 HA PRO A 84 1.412 15.148 2.573 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -0.401 14.337 4.515 1.00 0.00 H new ATOM 0 HB3 PRO A 84 1.189 14.921 4.962 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -1.436 16.399 4.951 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -0.165 16.424 6.157 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -0.433 18.420 4.326 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.137 17.955 4.950 1.00 0.00 H new ATOM 1257 N VAL A 85 -0.518 13.955 1.568 1.00 0.00 N ATOM 1258 CA VAL A 85 -1.553 13.410 0.696 1.00 0.00 C ATOM 1259 C VAL A 85 -2.168 12.151 1.295 1.00 0.00 C ATOM 1260 O VAL A 85 -1.475 11.342 1.910 1.00 0.00 O ATOM 1261 CB VAL A 85 -0.994 13.082 -0.701 1.00 0.00 C ATOM 1262 CG1 VAL A 85 -2.084 12.502 -1.589 1.00 0.00 C ATOM 1263 CG2 VAL A 85 -0.382 14.322 -1.335 1.00 0.00 C ATOM 0 H VAL A 85 0.279 13.336 1.714 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.323 14.176 0.600 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.210 12.333 -0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.671 12.276 -2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.471 11.588 -1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.892 13.226 -1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.008 14.071 -2.322 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.144 15.095 -1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.429 14.689 -0.707 1.00 0.00 H new ATOM 1273 N GLN A 86 -3.475 11.991 1.109 1.00 0.00 N ATOM 1274 CA GLN A 86 -4.184 10.829 1.631 1.00 0.00 C ATOM 1275 C GLN A 86 -4.497 9.836 0.516 1.00 0.00 C ATOM 1276 O GLN A 86 -5.348 10.092 -0.336 1.00 0.00 O ATOM 1277 CB GLN A 86 -5.478 11.263 2.321 1.00 0.00 C ATOM 1278 CG GLN A 86 -6.373 10.102 2.722 1.00 0.00 C ATOM 1279 CD GLN A 86 -5.979 9.493 4.053 1.00 0.00 C ATOM 1280 OE1 GLN A 86 -6.069 10.142 5.096 1.00 0.00 O ATOM 1281 NE2 GLN A 86 -5.538 8.241 4.025 1.00 0.00 N ATOM 0 H GLN A 86 -4.064 12.651 0.601 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.539 10.338 2.359 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.229 11.843 3.210 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.031 11.924 1.654 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.406 10.446 2.776 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.333 9.334 1.950 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.480 7.741 3.138 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.258 7.780 4.890 1.00 0.00 H new ATOM 1290 N VAL A 87 -3.803 8.703 0.528 1.00 0.00 N ATOM 1291 CA VAL A 87 -4.007 7.670 -0.481 1.00 0.00 C ATOM 1292 C VAL A 87 -4.497 6.373 0.151 1.00 0.00 C ATOM 1293 O VAL A 87 -4.559 6.251 1.375 1.00 0.00 O ATOM 1294 CB VAL A 87 -2.713 7.390 -1.266 1.00 0.00 C ATOM 1295 CG1 VAL A 87 -2.214 8.657 -1.944 1.00 0.00 C ATOM 1296 CG2 VAL A 87 -1.647 6.812 -0.347 1.00 0.00 C ATOM 0 H VAL A 87 -3.094 8.477 1.226 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.766 8.044 -1.168 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.931 6.654 -2.040 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.298 8.439 -2.494 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.974 9.023 -2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.012 9.418 -1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.739 6.620 -0.919 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.430 7.522 0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.007 5.879 0.086 1.00 0.00 H new ATOM 1306 N TYR A 88 -4.843 5.405 -0.690 1.00 0.00 N ATOM 1307 CA TYR A 88 -5.329 4.115 -0.214 1.00 0.00 C ATOM 1308 C TYR A 88 -4.670 2.970 -0.975 1.00 0.00 C ATOM 1309 O TYR A 88 -4.277 3.122 -2.132 1.00 0.00 O ATOM 1310 CB TYR A 88 -6.850 4.033 -0.362 1.00 0.00 C ATOM 1311 CG TYR A 88 -7.572 5.273 0.115 1.00 0.00 C ATOM 1312 CD1 TYR A 88 -7.752 6.364 -0.727 1.00 0.00 C ATOM 1313 CD2 TYR A 88 -8.076 5.353 1.407 1.00 0.00 C ATOM 1314 CE1 TYR A 88 -8.411 7.498 -0.295 1.00 0.00 C ATOM 1315 CE2 TYR A 88 -8.738 6.483 1.847 1.00 0.00 C ATOM 1316 CZ TYR A 88 -8.902 7.553 0.993 1.00 0.00 C ATOM 1317 OH TYR A 88 -9.560 8.681 1.426 1.00 0.00 O ATOM 0 H TYR A 88 -4.796 5.489 -1.705 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.068 4.024 0.840 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.096 3.860 -1.410 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.215 3.172 0.198 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -7.370 6.324 -1.736 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.948 4.517 2.079 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -8.541 8.337 -0.962 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.125 6.528 2.854 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.843 8.558 2.356 1.00 0.00 H new ATOM 1327 N PHE A 89 -4.553 1.821 -0.318 1.00 0.00 N ATOM 1328 CA PHE A 89 -3.941 0.648 -0.931 1.00 0.00 C ATOM 1329 C PHE A 89 -4.650 -0.629 -0.488 1.00 0.00 C ATOM 1330 O PHE A 89 -5.262 -0.674 0.580 1.00 0.00 O ATOM 1331 CB PHE A 89 -2.457 0.572 -0.569 1.00 0.00 C ATOM 1332 CG PHE A 89 -2.202 0.512 0.910 1.00 0.00 C ATOM 1333 CD1 PHE A 89 -2.398 -0.666 1.612 1.00 0.00 C ATOM 1334 CD2 PHE A 89 -1.767 1.633 1.598 1.00 0.00 C ATOM 1335 CE1 PHE A 89 -2.166 -0.724 2.974 1.00 0.00 C ATOM 1336 CE2 PHE A 89 -1.532 1.581 2.959 1.00 0.00 C ATOM 1337 CZ PHE A 89 -1.731 0.400 3.647 1.00 0.00 C ATOM 0 H PHE A 89 -4.874 1.677 0.639 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.039 0.742 -2.013 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.021 -0.309 -1.041 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.946 1.441 -0.983 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.736 -1.549 1.090 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.610 2.559 1.064 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.325 -1.648 3.511 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.193 2.462 3.484 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.546 0.356 4.710 1.00 0.00 H new ATOM 1347 N TYR A 90 -4.563 -1.664 -1.316 1.00 0.00 N ATOM 1348 CA TYR A 90 -5.197 -2.942 -1.012 1.00 0.00 C ATOM 1349 C TYR A 90 -4.369 -4.104 -1.551 1.00 0.00 C ATOM 1350 O TYR A 90 -3.390 -3.902 -2.271 1.00 0.00 O ATOM 1351 CB TYR A 90 -6.607 -2.988 -1.604 1.00 0.00 C ATOM 1352 CG TYR A 90 -6.636 -2.854 -3.110 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -6.514 -1.612 -3.719 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -6.785 -3.971 -3.923 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -6.541 -1.485 -5.094 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -6.812 -3.854 -5.299 1.00 0.00 C ATOM 1357 CZ TYR A 90 -6.690 -2.609 -5.880 1.00 0.00 C ATOM 1358 OH TYR A 90 -6.715 -2.487 -7.250 1.00 0.00 O ATOM 0 H TYR A 90 -4.060 -1.643 -2.203 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.261 -3.038 0.072 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.080 -3.929 -1.322 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.203 -2.188 -1.165 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.396 -0.730 -3.107 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.881 -4.947 -3.471 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.446 -0.511 -5.551 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.928 -4.732 -5.917 1.00 0.00 H new ATOM 0 HH TYR A 90 -6.825 -3.372 -7.655 1.00 0.00 H new ATOM 1368 N VAL A 91 -4.768 -5.321 -1.197 1.00 0.00 N ATOM 1369 CA VAL A 91 -4.065 -6.517 -1.646 1.00 0.00 C ATOM 1370 C VAL A 91 -4.907 -7.309 -2.640 1.00 0.00 C ATOM 1371 O VAL A 91 -5.982 -7.805 -2.302 1.00 0.00 O ATOM 1372 CB VAL A 91 -3.696 -7.429 -0.461 1.00 0.00 C ATOM 1373 CG1 VAL A 91 -2.986 -8.681 -0.952 1.00 0.00 C ATOM 1374 CG2 VAL A 91 -2.835 -6.676 0.542 1.00 0.00 C ATOM 0 H VAL A 91 -5.575 -5.505 -0.600 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.151 -6.182 -2.135 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.614 -7.734 0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.733 -9.313 -0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.641 -9.229 -1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.074 -8.399 -1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.583 -7.335 1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.919 -6.340 0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.384 -5.813 0.917 1.00 0.00 H new ATOM 1384 N SER A 92 -4.411 -7.424 -3.868 1.00 0.00 N ATOM 1385 CA SER A 92 -5.119 -8.154 -4.913 1.00 0.00 C ATOM 1386 C SER A 92 -4.803 -9.645 -4.844 1.00 0.00 C ATOM 1387 O SER A 92 -3.659 -10.057 -5.030 1.00 0.00 O ATOM 1388 CB SER A 92 -4.746 -7.604 -6.291 1.00 0.00 C ATOM 1389 OG SER A 92 -3.395 -7.175 -6.320 1.00 0.00 O ATOM 0 H SER A 92 -3.522 -7.021 -4.163 1.00 0.00 H new ATOM 0 HA SER A 92 -6.189 -8.020 -4.754 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.903 -8.373 -7.048 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.401 -6.770 -6.543 1.00 0.00 H new ATOM 0 HG SER A 92 -3.181 -6.829 -7.212 1.00 0.00 H new ATOM 1395 N ASN A 93 -5.827 -10.449 -4.576 1.00 0.00 N ATOM 1396 CA ASN A 93 -5.659 -11.894 -4.482 1.00 0.00 C ATOM 1397 C ASN A 93 -6.772 -12.621 -5.232 1.00 0.00 C ATOM 1398 O ASN A 93 -7.914 -12.668 -4.776 1.00 0.00 O ATOM 1399 CB ASN A 93 -5.645 -12.333 -3.017 1.00 0.00 C ATOM 1400 CG ASN A 93 -4.498 -11.718 -2.240 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -3.583 -11.134 -2.821 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -4.541 -11.846 -0.919 1.00 0.00 N ATOM 0 H ASN A 93 -6.781 -10.124 -4.420 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.705 -12.154 -4.941 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.589 -12.054 -2.548 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.573 -13.419 -2.967 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.796 -11.452 -0.344 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.319 -12.338 -0.479 1.00 0.00 H new ATOM 1409 N GLY A 94 -6.430 -13.188 -6.385 1.00 0.00 N ATOM 1410 CA GLY A 94 -7.410 -13.905 -7.179 1.00 0.00 C ATOM 1411 C GLY A 94 -8.265 -12.978 -8.020 1.00 0.00 C ATOM 1412 O GLY A 94 -7.763 -12.015 -8.600 1.00 0.00 O ATOM 0 H GLY A 94 -5.491 -13.163 -6.783 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.898 -14.613 -7.831 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.052 -14.487 -6.519 1.00 0.00 H new ATOM 1416 N ARG A 95 -9.560 -13.269 -8.088 1.00 0.00 N ATOM 1417 CA ARG A 95 -10.486 -12.456 -8.867 1.00 0.00 C ATOM 1418 C ARG A 95 -11.603 -11.908 -7.984 1.00 0.00 C ATOM 1419 O ARG A 95 -12.043 -10.771 -8.157 1.00 0.00 O ATOM 1420 CB ARG A 95 -11.082 -13.278 -10.011 1.00 0.00 C ATOM 1421 CG ARG A 95 -11.857 -14.500 -9.544 1.00 0.00 C ATOM 1422 CD ARG A 95 -12.642 -15.131 -10.683 1.00 0.00 C ATOM 1423 NE ARG A 95 -11.809 -16.006 -11.503 1.00 0.00 N ATOM 1424 CZ ARG A 95 -12.097 -16.329 -12.759 1.00 0.00 C ATOM 1425 NH1 ARG A 95 -13.191 -15.851 -13.336 1.00 0.00 N ATOM 1426 NH2 ARG A 95 -11.289 -17.131 -13.441 1.00 0.00 N ATOM 0 H ARG A 95 -9.992 -14.062 -7.613 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.931 -11.616 -9.284 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -11.744 -12.641 -10.598 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.278 -13.599 -10.673 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -11.166 -15.233 -9.127 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -12.540 -14.215 -8.744 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -13.476 -15.702 -10.276 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -13.068 -14.346 -11.308 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.960 -16.390 -11.089 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -13.814 -15.234 -12.815 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -13.410 -16.101 -14.301 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -10.446 -17.500 -13.001 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -11.511 -17.378 -14.405 1.00 0.00 H new ATOM 1440 N ARG A 96 -12.058 -12.725 -7.039 1.00 0.00 N ATOM 1441 CA ARG A 96 -13.125 -12.322 -6.131 1.00 0.00 C ATOM 1442 C ARG A 96 -12.556 -11.883 -4.785 1.00 0.00 C ATOM 1443 O ARG A 96 -12.952 -10.853 -4.238 1.00 0.00 O ATOM 1444 CB ARG A 96 -14.112 -13.473 -5.928 1.00 0.00 C ATOM 1445 CG ARG A 96 -15.496 -13.019 -5.494 1.00 0.00 C ATOM 1446 CD ARG A 96 -15.610 -12.953 -3.979 1.00 0.00 C ATOM 1447 NE ARG A 96 -16.655 -12.028 -3.549 1.00 0.00 N ATOM 1448 CZ ARG A 96 -17.941 -12.353 -3.476 1.00 0.00 C ATOM 1449 NH1 ARG A 96 -18.338 -13.575 -3.803 1.00 0.00 N ATOM 1450 NH2 ARG A 96 -18.832 -11.456 -3.076 1.00 0.00 N ATOM 0 H ARG A 96 -11.705 -13.669 -6.883 1.00 0.00 H new ATOM 0 HA ARG A 96 -13.649 -11.477 -6.578 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -14.198 -14.035 -6.858 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -13.711 -14.156 -5.179 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -15.708 -12.038 -5.919 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -16.246 -13.706 -5.887 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -15.823 -13.948 -3.588 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -14.654 -12.642 -3.557 1.00 0.00 H new ATOM 0 HE ARG A 96 -16.382 -11.080 -3.290 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -17.656 -14.268 -4.111 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -19.326 -13.823 -3.746 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -18.530 -10.515 -2.824 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -19.819 -11.707 -3.021 1.00 0.00 H new ATOM 1464 N LYS A 97 -11.627 -12.671 -4.256 1.00 0.00 N ATOM 1465 CA LYS A 97 -11.002 -12.365 -2.974 1.00 0.00 C ATOM 1466 C LYS A 97 -10.225 -11.055 -3.047 1.00 0.00 C ATOM 1467 O LYS A 97 -9.303 -10.913 -3.851 1.00 0.00 O ATOM 1468 CB LYS A 97 -10.068 -13.502 -2.554 1.00 0.00 C ATOM 1469 CG LYS A 97 -10.792 -14.800 -2.240 1.00 0.00 C ATOM 1470 CD LYS A 97 -9.896 -16.006 -2.462 1.00 0.00 C ATOM 1471 CE LYS A 97 -10.684 -17.306 -2.396 1.00 0.00 C ATOM 1472 NZ LYS A 97 -11.250 -17.542 -1.039 1.00 0.00 N ATOM 0 H LYS A 97 -11.289 -13.527 -4.695 1.00 0.00 H new ATOM 0 HA LYS A 97 -11.791 -12.258 -2.230 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.347 -13.682 -3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.502 -13.190 -1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.134 -14.786 -1.205 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -11.679 -14.884 -2.868 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.408 -15.924 -3.433 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.108 -16.018 -1.709 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.492 -17.279 -3.127 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.035 -18.138 -2.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.117 -18.539 -0.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.764 -16.934 -0.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.265 -17.317 -1.043 1.00 0.00 H new ATOM 1486 N ARG A 98 -10.601 -10.101 -2.202 1.00 0.00 N ATOM 1487 CA ARG A 98 -9.938 -8.802 -2.171 1.00 0.00 C ATOM 1488 C ARG A 98 -9.803 -8.295 -0.739 1.00 0.00 C ATOM 1489 O ARG A 98 -10.488 -8.772 0.166 1.00 0.00 O ATOM 1490 CB ARG A 98 -10.717 -7.789 -3.012 1.00 0.00 C ATOM 1491 CG ARG A 98 -10.326 -7.787 -4.481 1.00 0.00 C ATOM 1492 CD ARG A 98 -10.770 -6.508 -5.174 1.00 0.00 C ATOM 1493 NE ARG A 98 -12.210 -6.491 -5.420 1.00 0.00 N ATOM 1494 CZ ARG A 98 -12.799 -5.669 -6.281 1.00 0.00 C ATOM 1495 NH1 ARG A 98 -12.075 -4.802 -6.975 1.00 0.00 N ATOM 1496 NH2 ARG A 98 -14.114 -5.714 -6.449 1.00 0.00 N ATOM 0 H ARG A 98 -11.361 -10.203 -1.530 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.939 -8.921 -2.591 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.782 -8.003 -2.929 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.560 -6.792 -2.602 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.245 -7.894 -4.571 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -10.774 -8.647 -4.979 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -10.497 -5.649 -4.560 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -10.239 -6.405 -6.120 1.00 0.00 H new ATOM 0 HE ARG A 98 -12.795 -7.146 -4.902 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.064 -4.765 -6.848 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.529 -4.172 -7.636 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -14.674 -6.380 -5.917 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -14.566 -5.082 -7.110 1.00 0.00 H new ATOM 1510 N SER A 99 -8.916 -7.325 -0.541 1.00 0.00 N ATOM 1511 CA SER A 99 -8.688 -6.755 0.782 1.00 0.00 C ATOM 1512 C SER A 99 -9.218 -5.327 0.857 1.00 0.00 C ATOM 1513 O SER A 99 -9.150 -4.561 -0.105 1.00 0.00 O ATOM 1514 CB SER A 99 -7.196 -6.777 1.119 1.00 0.00 C ATOM 1515 OG SER A 99 -6.990 -6.924 2.513 1.00 0.00 O ATOM 0 H SER A 99 -8.343 -6.917 -1.280 1.00 0.00 H new ATOM 0 HA SER A 99 -9.226 -7.362 1.510 1.00 0.00 H new ATOM 0 HB2 SER A 99 -6.712 -7.597 0.588 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.729 -5.855 0.774 1.00 0.00 H new ATOM 0 HG SER A 99 -7.499 -7.695 2.839 1.00 0.00 H new ATOM 1521 N PRO A 100 -9.759 -4.958 2.027 1.00 0.00 N ATOM 1522 CA PRO A 100 -10.310 -3.619 2.258 1.00 0.00 C ATOM 1523 C PRO A 100 -9.228 -2.547 2.308 1.00 0.00 C ATOM 1524 O PRO A 100 -8.308 -2.616 3.124 1.00 0.00 O ATOM 1525 CB PRO A 100 -10.999 -3.749 3.619 1.00 0.00 C ATOM 1526 CG PRO A 100 -10.281 -4.862 4.302 1.00 0.00 C ATOM 1527 CD PRO A 100 -9.873 -5.819 3.216 1.00 0.00 C ATOM 0 HA PRO A 100 -10.978 -3.309 1.455 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -10.927 -2.823 4.189 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -12.060 -3.973 3.506 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -9.410 -4.491 4.843 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -10.925 -5.352 5.032 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -8.928 -6.311 3.448 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -10.615 -6.605 3.073 1.00 0.00 H new ATOM 1535 N THR A 101 -9.343 -1.554 1.431 1.00 0.00 N ATOM 1536 CA THR A 101 -8.373 -0.467 1.375 1.00 0.00 C ATOM 1537 C THR A 101 -8.261 0.238 2.722 1.00 0.00 C ATOM 1538 O THR A 101 -9.267 0.508 3.377 1.00 0.00 O ATOM 1539 CB THR A 101 -8.750 0.566 0.297 1.00 0.00 C ATOM 1540 OG1 THR A 101 -10.170 0.748 0.267 1.00 0.00 O ATOM 1541 CG2 THR A 101 -8.261 0.121 -1.073 1.00 0.00 C ATOM 0 H THR A 101 -10.099 -1.480 0.750 1.00 0.00 H new ATOM 0 HA THR A 101 -7.411 -0.913 1.120 1.00 0.00 H new ATOM 0 HB THR A 101 -8.269 1.512 0.547 1.00 0.00 H new ATOM 0 HG1 THR A 101 -10.401 1.408 -0.420 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.539 0.866 -1.818 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.177 0.013 -1.055 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.717 -0.835 -1.329 1.00 0.00 H new ATOM 1549 N GLN A 102 -7.031 0.535 3.128 1.00 0.00 N ATOM 1550 CA GLN A 102 -6.788 1.210 4.398 1.00 0.00 C ATOM 1551 C GLN A 102 -6.544 2.700 4.184 1.00 0.00 C ATOM 1552 O GLN A 102 -6.408 3.161 3.051 1.00 0.00 O ATOM 1553 CB GLN A 102 -5.590 0.582 5.113 1.00 0.00 C ATOM 1554 CG GLN A 102 -5.967 -0.556 6.047 1.00 0.00 C ATOM 1555 CD GLN A 102 -6.478 -1.776 5.305 1.00 0.00 C ATOM 1556 OE1 GLN A 102 -5.721 -2.458 4.615 1.00 0.00 O ATOM 1557 NE2 GLN A 102 -7.768 -2.057 5.445 1.00 0.00 N ATOM 0 H GLN A 102 -6.188 0.319 2.597 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.676 1.091 5.019 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.886 0.211 4.368 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.073 1.353 5.684 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -5.098 -0.835 6.642 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.732 -0.212 6.743 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -8.359 -1.464 6.027 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -8.168 -2.866 4.970 1.00 0.00 H new ATOM 1566 N SER A 103 -6.489 3.449 5.281 1.00 0.00 N ATOM 1567 CA SER A 103 -6.265 4.888 5.213 1.00 0.00 C ATOM 1568 C SER A 103 -4.797 5.222 5.460 1.00 0.00 C ATOM 1569 O SER A 103 -4.301 5.102 6.581 1.00 0.00 O ATOM 1570 CB SER A 103 -7.143 5.611 6.237 1.00 0.00 C ATOM 1571 OG SER A 103 -6.968 5.066 7.533 1.00 0.00 O ATOM 0 H SER A 103 -6.596 3.083 6.227 1.00 0.00 H new ATOM 0 HA SER A 103 -6.533 5.225 4.212 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.895 6.672 6.249 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.190 5.532 5.944 1.00 0.00 H new ATOM 0 HG SER A 103 -6.012 4.939 7.708 1.00 0.00 H new ATOM 1577 N PHE A 104 -4.106 5.641 4.405 1.00 0.00 N ATOM 1578 CA PHE A 104 -2.694 5.991 4.505 1.00 0.00 C ATOM 1579 C PHE A 104 -2.464 7.444 4.098 1.00 0.00 C ATOM 1580 O PHE A 104 -3.148 7.969 3.220 1.00 0.00 O ATOM 1581 CB PHE A 104 -1.853 5.064 3.626 1.00 0.00 C ATOM 1582 CG PHE A 104 -0.468 4.827 4.157 1.00 0.00 C ATOM 1583 CD1 PHE A 104 -0.260 3.975 5.229 1.00 0.00 C ATOM 1584 CD2 PHE A 104 0.625 5.456 3.584 1.00 0.00 C ATOM 1585 CE1 PHE A 104 1.013 3.756 5.721 1.00 0.00 C ATOM 1586 CE2 PHE A 104 1.901 5.241 4.071 1.00 0.00 C ATOM 1587 CZ PHE A 104 2.095 4.388 5.140 1.00 0.00 C ATOM 0 H PHE A 104 -4.501 5.746 3.471 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.388 5.870 5.544 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.365 4.107 3.528 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -1.782 5.491 2.626 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -1.102 3.476 5.686 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.479 6.122 2.747 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.161 3.091 6.559 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.745 5.739 3.616 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.091 4.216 5.521 1.00 0.00 H new ATOM 1597 N ARG A 105 -1.497 8.087 4.744 1.00 0.00 N ATOM 1598 CA ARG A 105 -1.177 9.479 4.451 1.00 0.00 C ATOM 1599 C ARG A 105 0.333 9.698 4.434 1.00 0.00 C ATOM 1600 O ARG A 105 1.034 9.335 5.378 1.00 0.00 O ATOM 1601 CB ARG A 105 -1.825 10.401 5.486 1.00 0.00 C ATOM 1602 CG ARG A 105 -1.400 11.855 5.356 1.00 0.00 C ATOM 1603 CD ARG A 105 -0.182 12.158 6.215 1.00 0.00 C ATOM 1604 NE ARG A 105 -0.506 12.168 7.640 1.00 0.00 N ATOM 1605 CZ ARG A 105 -1.286 13.080 8.209 1.00 0.00 C ATOM 1606 NH1 ARG A 105 -1.819 14.050 7.480 1.00 0.00 N ATOM 1607 NH2 ARG A 105 -1.534 13.022 9.512 1.00 0.00 N ATOM 0 H ARG A 105 -0.922 7.666 5.474 1.00 0.00 H new ATOM 0 HA ARG A 105 -1.572 9.717 3.463 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -2.909 10.338 5.389 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -1.573 10.045 6.485 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -1.176 12.078 4.313 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -2.225 12.504 5.650 1.00 0.00 H new ATOM 0 HD2 ARG A 105 0.591 11.413 6.024 1.00 0.00 H new ATOM 0 HD3 ARG A 105 0.231 13.126 5.930 1.00 0.00 H new ATOM 0 HE ARG A 105 -0.112 11.435 8.230 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.631 14.098 6.479 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -2.418 14.749 7.920 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -1.125 12.277 10.076 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.133 13.723 9.949 1.00 0.00 H new ATOM 1621 N PHE A 106 0.827 10.294 3.354 1.00 0.00 N ATOM 1622 CA PHE A 106 2.253 10.560 3.212 1.00 0.00 C ATOM 1623 C PHE A 106 2.605 11.942 3.753 1.00 0.00 C ATOM 1624 O PHE A 106 1.926 12.928 3.460 1.00 0.00 O ATOM 1625 CB PHE A 106 2.670 10.453 1.744 1.00 0.00 C ATOM 1626 CG PHE A 106 2.582 9.057 1.195 1.00 0.00 C ATOM 1627 CD1 PHE A 106 3.224 8.007 1.832 1.00 0.00 C ATOM 1628 CD2 PHE A 106 1.858 8.796 0.043 1.00 0.00 C ATOM 1629 CE1 PHE A 106 3.145 6.722 1.330 1.00 0.00 C ATOM 1630 CE2 PHE A 106 1.775 7.512 -0.463 1.00 0.00 C ATOM 1631 CZ PHE A 106 2.420 6.474 0.181 1.00 0.00 C ATOM 0 H PHE A 106 0.260 10.602 2.564 1.00 0.00 H new ATOM 0 HA PHE A 106 2.796 9.813 3.792 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.038 11.110 1.146 1.00 0.00 H new ATOM 0 HB3 PHE A 106 3.694 10.812 1.638 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.792 8.195 2.731 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.353 9.604 -0.465 1.00 0.00 H new ATOM 0 HE1 PHE A 106 3.650 5.912 1.836 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.206 7.321 -1.361 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.357 5.470 -0.213 1.00 0.00 H new ATOM 1641 N LEU A 107 3.670 12.008 4.544 1.00 0.00 N ATOM 1642 CA LEU A 107 4.113 13.269 5.128 1.00 0.00 C ATOM 1643 C LEU A 107 5.155 13.944 4.241 1.00 0.00 C ATOM 1644 O LEU A 107 6.055 13.301 3.699 1.00 0.00 O ATOM 1645 CB LEU A 107 4.692 13.033 6.524 1.00 0.00 C ATOM 1646 CG LEU A 107 3.804 12.255 7.496 1.00 0.00 C ATOM 1647 CD1 LEU A 107 4.604 11.810 8.710 1.00 0.00 C ATOM 1648 CD2 LEU A 107 2.611 13.099 7.920 1.00 0.00 C ATOM 0 H LEU A 107 4.243 11.203 4.796 1.00 0.00 H new ATOM 0 HA LEU A 107 3.248 13.927 5.207 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.636 12.499 6.418 1.00 0.00 H new ATOM 0 HB3 LEU A 107 4.922 14.001 6.969 1.00 0.00 H new ATOM 0 HG LEU A 107 3.432 11.366 6.987 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.956 11.258 9.391 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.425 11.168 8.390 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.006 12.685 9.221 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.990 12.530 8.612 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.963 14.006 8.411 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.024 13.367 7.041 1.00 0.00 H new ATOM 1660 N PRO A 108 5.033 15.271 4.088 1.00 0.00 N ATOM 1661 CA PRO A 108 5.957 16.062 3.270 1.00 0.00 C ATOM 1662 C PRO A 108 7.345 16.162 3.895 1.00 0.00 C ATOM 1663 O PRO A 108 7.563 16.939 4.824 1.00 0.00 O ATOM 1664 CB PRO A 108 5.293 17.440 3.218 1.00 0.00 C ATOM 1665 CG PRO A 108 4.459 17.506 4.450 1.00 0.00 C ATOM 1666 CD PRO A 108 3.985 16.101 4.704 1.00 0.00 C ATOM 0 HA PRO A 108 6.119 15.614 2.289 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.036 18.237 3.200 1.00 0.00 H new ATOM 0 HB3 PRO A 108 4.684 17.552 2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.038 17.881 5.294 1.00 0.00 H new ATOM 0 HG3 PRO A 108 3.616 18.184 4.315 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.886 15.897 5.770 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.010 15.918 4.252 1.00 0.00 H new ATOM 1674 N VAL A 109 8.280 15.371 3.378 1.00 0.00 N ATOM 1675 CA VAL A 109 9.647 15.372 3.884 1.00 0.00 C ATOM 1676 C VAL A 109 10.154 16.794 4.094 1.00 0.00 C ATOM 1677 O VAL A 109 10.898 17.066 5.037 1.00 0.00 O ATOM 1678 CB VAL A 109 10.601 14.634 2.926 1.00 0.00 C ATOM 1679 CG1 VAL A 109 12.023 14.656 3.466 1.00 0.00 C ATOM 1680 CG2 VAL A 109 10.129 13.205 2.701 1.00 0.00 C ATOM 0 H VAL A 109 8.115 14.721 2.609 1.00 0.00 H new ATOM 0 HA VAL A 109 9.631 14.850 4.841 1.00 0.00 H new ATOM 0 HB VAL A 109 10.595 15.150 1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 109 12.682 14.130 2.776 1.00 0.00 H new ATOM 0 HG12 VAL A 109 12.356 15.688 3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 109 12.050 14.165 4.439 1.00 0.00 H new ATOM 0 HG21 VAL A 109 10.814 12.698 2.022 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.104 12.676 3.654 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.130 13.216 2.266 1.00 0.00 H new ATOM 1690 N ILE A 110 9.748 17.698 3.208 1.00 0.00 N ATOM 1691 CA ILE A 110 10.160 19.093 3.298 1.00 0.00 C ATOM 1692 C ILE A 110 10.326 19.525 4.750 1.00 0.00 C ATOM 1693 O ILE A 110 11.275 20.231 5.094 1.00 0.00 O ATOM 1694 CB ILE A 110 9.146 20.025 2.608 1.00 0.00 C ATOM 1695 CG1 ILE A 110 9.049 19.695 1.117 1.00 0.00 C ATOM 1696 CG2 ILE A 110 9.542 21.480 2.810 1.00 0.00 C ATOM 1697 CD1 ILE A 110 7.695 20.005 0.517 1.00 0.00 C ATOM 0 H ILE A 110 9.135 17.489 2.420 1.00 0.00 H new ATOM 0 HA ILE A 110 11.120 19.172 2.787 1.00 0.00 H new ATOM 0 HB ILE A 110 8.166 19.870 3.059 1.00 0.00 H new ATOM 0 HG12 ILE A 110 9.813 20.256 0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.268 18.637 0.972 1.00 0.00 H new ATOM 0 HG21 ILE A 110 8.816 22.126 2.317 1.00 0.00 H new ATOM 0 HG22 ILE A 110 9.564 21.706 3.876 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.530 21.651 2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.698 19.746 -0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.928 19.424 1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 110 7.482 21.068 0.630 1.00 0.00 H new ATOM 1709 N CYS A 111 9.398 19.097 5.599 1.00 0.00 N ATOM 1710 CA CYS A 111 9.441 19.439 7.016 1.00 0.00 C ATOM 1711 C CYS A 111 10.763 19.004 7.640 1.00 0.00 C ATOM 1712 O CYS A 111 11.297 17.945 7.313 1.00 0.00 O ATOM 1713 CB CYS A 111 8.273 18.785 7.756 1.00 0.00 C ATOM 1714 SG CYS A 111 6.698 19.652 7.564 1.00 0.00 S ATOM 0 H CYS A 111 8.607 18.512 5.330 1.00 0.00 H new ATOM 0 HA CYS A 111 9.357 20.522 7.106 1.00 0.00 H new ATOM 0 HB2 CYS A 111 8.158 17.762 7.399 1.00 0.00 H new ATOM 0 HB3 CYS A 111 8.516 18.727 8.817 1.00 0.00 H new ATOM 0 HG CYS A 111 5.772 19.021 8.224 1.00 0.00 H new ATOM 1720 N LYS A 112 11.286 19.830 8.540 1.00 0.00 N ATOM 1721 CA LYS A 112 12.546 19.533 9.211 1.00 0.00 C ATOM 1722 C LYS A 112 12.302 18.792 10.522 1.00 0.00 C ATOM 1723 O LYS A 112 11.166 18.686 10.983 1.00 0.00 O ATOM 1724 CB LYS A 112 13.322 20.824 9.479 1.00 0.00 C ATOM 1725 CG LYS A 112 12.753 21.651 10.619 1.00 0.00 C ATOM 1726 CD LYS A 112 13.597 22.885 10.887 1.00 0.00 C ATOM 1727 CE LYS A 112 13.255 24.014 9.927 1.00 0.00 C ATOM 1728 NZ LYS A 112 13.570 25.349 10.506 1.00 0.00 N ATOM 0 H LYS A 112 10.856 20.711 8.822 1.00 0.00 H new ATOM 0 HA LYS A 112 13.136 18.892 8.556 1.00 0.00 H new ATOM 0 HB2 LYS A 112 14.359 20.574 9.705 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.330 21.428 8.572 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.733 21.952 10.378 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.701 21.042 11.521 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.440 23.218 11.913 1.00 0.00 H new ATOM 0 HD3 LYS A 112 14.653 22.632 10.792 1.00 0.00 H new ATOM 0 HE2 LYS A 112 13.809 23.881 8.998 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.195 23.968 9.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 13.323 26.092 9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 13.022 25.487 11.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 14.586 25.402 10.723 1.00 0.00 H new ATOM 1742 N GLU A 113 13.376 18.284 11.118 1.00 0.00 N ATOM 1743 CA GLU A 113 13.278 17.555 12.377 1.00 0.00 C ATOM 1744 C GLU A 113 14.663 17.266 12.948 1.00 0.00 C ATOM 1745 O GLU A 113 15.587 16.917 12.215 1.00 0.00 O ATOM 1746 CB GLU A 113 12.514 16.244 12.174 1.00 0.00 C ATOM 1747 CG GLU A 113 12.413 15.397 13.431 1.00 0.00 C ATOM 1748 CD GLU A 113 11.266 15.820 14.329 1.00 0.00 C ATOM 1749 OE1 GLU A 113 11.402 16.849 15.022 1.00 0.00 O ATOM 1750 OE2 GLU A 113 10.232 15.120 14.337 1.00 0.00 O ATOM 0 H GLU A 113 14.324 18.364 10.749 1.00 0.00 H new ATOM 0 HA GLU A 113 12.735 18.178 13.087 1.00 0.00 H new ATOM 0 HB2 GLU A 113 11.509 16.470 11.817 1.00 0.00 H new ATOM 0 HB3 GLU A 113 13.006 15.664 11.394 1.00 0.00 H new ATOM 0 HG2 GLU A 113 12.284 14.352 13.151 1.00 0.00 H new ATOM 0 HG3 GLU A 113 13.348 15.465 13.986 1.00 0.00 H new ATOM 1757 N GLU A 114 14.797 17.415 14.263 1.00 0.00 N ATOM 1758 CA GLU A 114 16.069 17.171 14.932 1.00 0.00 C ATOM 1759 C GLU A 114 15.849 16.751 16.383 1.00 0.00 C ATOM 1760 O GLU A 114 14.760 16.921 16.929 1.00 0.00 O ATOM 1761 CB GLU A 114 16.946 18.424 14.880 1.00 0.00 C ATOM 1762 CG GLU A 114 18.411 18.154 15.182 1.00 0.00 C ATOM 1763 CD GLU A 114 18.726 18.241 16.663 1.00 0.00 C ATOM 1764 OE1 GLU A 114 18.117 19.086 17.352 1.00 0.00 O ATOM 1765 OE2 GLU A 114 19.582 17.463 17.133 1.00 0.00 O ATOM 0 H GLU A 114 14.041 17.703 14.884 1.00 0.00 H new ATOM 0 HA GLU A 114 16.575 16.359 14.410 1.00 0.00 H new ATOM 0 HB2 GLU A 114 16.864 18.874 13.890 1.00 0.00 H new ATOM 0 HB3 GLU A 114 16.565 19.154 15.594 1.00 0.00 H new ATOM 0 HG2 GLU A 114 18.677 17.163 14.815 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.028 18.871 14.640 1.00 0.00 H new TER 1772 GLU A 114