USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 713 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 48 SER OG : rot 169:sc= -0.852 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 34 GLN : amide:sc= -2.37 K(o=-2.8,f=-5.6!) USER MOD Set 2.2: A 82 THR OG1 : rot 180:sc= -0.474 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.079 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 170:sc= 0 USER MOD Single : A 23 THR OG1 : rot -90:sc= 1.25 USER MOD Single : A 24 MET CE :methyl -135:sc= -3.05 (180deg=-5.96!) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 32 LYS NZ :NH3+ -155:sc= -0.0777 (180deg=-0.42) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0488 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -2.57! C(o=-2.6!,f=-2.6!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0.05) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS :FLIP no HD1:sc=-0.00933 F(o=-0.68,f=-0.0093) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.591 0.249 -1.259 1.00 44.13 N ATOM 2 CA GLY A 1 2.150 0.155 -1.402 1.00 64.14 C ATOM 3 C GLY A 1 1.714 0.104 -2.853 1.00 51.12 C ATOM 4 O GLY A 1 2.547 0.110 -3.759 1.00 74.43 O ATOM 0 H1 GLY A 1 3.933 -0.534 -0.666 1.00 44.13 H new ATOM 0 H2 GLY A 1 4.037 0.194 -2.197 1.00 44.13 H new ATOM 0 H3 GLY A 1 3.837 1.155 -0.811 1.00 44.13 H new ATOM 0 HA2 GLY A 1 1.794 -0.738 -0.887 1.00 64.14 H new ATOM 0 HA3 GLY A 1 1.683 1.011 -0.915 1.00 64.14 H new ATOM 8 N ALA A 2 0.404 0.053 -3.074 1.00 64.21 N ATOM 9 CA ALA A 2 -0.141 0.001 -4.425 1.00 1.02 C ATOM 10 C ALA A 2 0.213 1.261 -5.208 1.00 74.43 C ATOM 11 O ALA A 2 1.024 2.072 -4.764 1.00 21.13 O ATOM 12 CB ALA A 2 -1.650 -0.187 -4.378 1.00 30.52 C ATOM 0 H ALA A 2 -0.299 0.047 -2.335 1.00 64.21 H new ATOM 0 HA ALA A 2 0.305 -0.851 -4.938 1.00 1.02 H new ATOM 0 HB1 ALA A 2 -2.044 -0.224 -5.394 1.00 30.52 H new ATOM 0 HB2 ALA A 2 -1.885 -1.119 -3.864 1.00 30.52 H new ATOM 0 HB3 ALA A 2 -2.104 0.647 -3.843 1.00 30.52 H new ATOM 18 N MET A 3 -0.401 1.417 -6.377 1.00 32.04 N ATOM 19 CA MET A 3 -0.151 2.579 -7.222 1.00 22.15 C ATOM 20 C MET A 3 -0.463 3.872 -6.475 1.00 30.35 C ATOM 21 O MET A 3 -1.486 3.977 -5.799 1.00 52.41 O ATOM 22 CB MET A 3 -0.990 2.498 -8.498 1.00 51.31 C ATOM 23 CG MET A 3 -0.786 1.210 -9.279 1.00 41.43 C ATOM 24 SD MET A 3 -1.139 1.401 -11.037 1.00 71.02 S ATOM 25 CE MET A 3 -2.158 -0.041 -11.336 1.00 72.31 C ATOM 0 H MET A 3 -1.075 0.754 -6.760 1.00 32.04 H new ATOM 0 HA MET A 3 0.905 2.581 -7.490 1.00 22.15 H new ATOM 0 HB2 MET A 3 -2.044 2.592 -8.236 1.00 51.31 H new ATOM 0 HB3 MET A 3 -0.744 3.345 -9.139 1.00 51.31 H new ATOM 0 HG2 MET A 3 0.243 0.873 -9.153 1.00 41.43 H new ATOM 0 HG3 MET A 3 -1.429 0.433 -8.865 1.00 41.43 H new ATOM 0 HE1 MET A 3 -2.457 -0.064 -12.384 1.00 72.31 H new ATOM 0 HE2 MET A 3 -1.592 -0.942 -11.101 1.00 72.31 H new ATOM 0 HE3 MET A 3 -3.046 0.004 -10.706 1.00 72.31 H new ATOM 35 N ALA A 4 0.425 4.852 -6.601 1.00 3.14 N ATOM 36 CA ALA A 4 0.243 6.138 -5.939 1.00 21.13 C ATOM 37 C ALA A 4 0.187 7.275 -6.954 1.00 31.44 C ATOM 38 O ALA A 4 0.101 7.039 -8.159 1.00 41.40 O ATOM 39 CB ALA A 4 1.361 6.378 -4.935 1.00 44.35 C ATOM 0 H ALA A 4 1.278 4.780 -7.156 1.00 3.14 H new ATOM 0 HA ALA A 4 -0.708 6.114 -5.407 1.00 21.13 H new ATOM 0 HB1 ALA A 4 1.212 7.342 -4.448 1.00 44.35 H new ATOM 0 HB2 ALA A 4 1.352 5.587 -4.185 1.00 44.35 H new ATOM 0 HB3 ALA A 4 2.321 6.377 -5.452 1.00 44.35 H new ATOM 45 N ARG A 5 0.235 8.507 -6.458 1.00 70.12 N ATOM 46 CA ARG A 5 0.188 9.680 -7.322 1.00 55.14 C ATOM 47 C ARG A 5 1.592 10.099 -7.748 1.00 73.01 C ATOM 48 O ARG A 5 1.819 10.462 -8.902 1.00 32.12 O ATOM 49 CB ARG A 5 -0.507 10.840 -6.606 1.00 61.20 C ATOM 50 CG ARG A 5 -1.789 10.437 -5.896 1.00 23.35 C ATOM 51 CD ARG A 5 -2.767 9.768 -6.848 1.00 52.14 C ATOM 52 NE ARG A 5 -4.155 10.076 -6.513 1.00 21.42 N ATOM 53 CZ ARG A 5 -5.198 9.555 -7.150 1.00 42.41 C ATOM 54 NH1 ARG A 5 -5.011 8.706 -8.151 1.00 50.21 N ATOM 55 NH2 ARG A 5 -6.431 9.884 -6.786 1.00 42.12 N ATOM 0 H ARG A 5 0.306 8.719 -5.463 1.00 70.12 H new ATOM 0 HA ARG A 5 -0.381 9.420 -8.215 1.00 55.14 H new ATOM 0 HB2 ARG A 5 0.181 11.271 -5.879 1.00 61.20 H new ATOM 0 HB3 ARG A 5 -0.734 11.621 -7.332 1.00 61.20 H new ATOM 0 HG2 ARG A 5 -1.554 9.757 -5.077 1.00 23.35 H new ATOM 0 HG3 ARG A 5 -2.254 11.319 -5.455 1.00 23.35 H new ATOM 0 HD2 ARG A 5 -2.560 10.093 -7.868 1.00 52.14 H new ATOM 0 HD3 ARG A 5 -2.619 8.689 -6.821 1.00 52.14 H new ATOM 0 HE ARG A 5 -4.333 10.727 -5.748 1.00 21.42 H new ATOM 0 HH11 ARG A 5 -4.065 8.451 -8.434 1.00 50.21 H new ATOM 0 HH12 ARG A 5 -5.814 8.307 -8.638 1.00 50.21 H new ATOM 0 HH21 ARG A 5 -6.578 10.537 -6.017 1.00 42.12 H new ATOM 0 HH22 ARG A 5 -7.231 9.484 -7.276 1.00 42.12 H new ATOM 69 N ALA A 6 2.530 10.046 -6.808 1.00 52.22 N ATOM 70 CA ALA A 6 3.911 10.418 -7.086 1.00 44.41 C ATOM 71 C ALA A 6 3.988 11.794 -7.740 1.00 65.21 C ATOM 72 O ALA A 6 4.781 12.012 -8.656 1.00 32.50 O ATOM 73 CB ALA A 6 4.572 9.373 -7.972 1.00 74.35 C ATOM 0 H ALA A 6 2.358 9.749 -5.847 1.00 52.22 H new ATOM 0 HA ALA A 6 4.446 10.465 -6.138 1.00 44.41 H new ATOM 0 HB1 ALA A 6 5.603 9.665 -8.171 1.00 74.35 H new ATOM 0 HB2 ALA A 6 4.559 8.407 -7.467 1.00 74.35 H new ATOM 0 HB3 ALA A 6 4.028 9.298 -8.914 1.00 74.35 H new ATOM 79 N GLU A 7 3.160 12.718 -7.264 1.00 31.12 N ATOM 80 CA GLU A 7 3.134 14.072 -7.805 1.00 24.24 C ATOM 81 C GLU A 7 4.522 14.705 -7.752 1.00 71.23 C ATOM 82 O GLU A 7 4.884 15.502 -8.617 1.00 22.21 O ATOM 83 CB GLU A 7 2.138 14.936 -7.029 1.00 20.01 C ATOM 84 CG GLU A 7 2.651 15.387 -5.672 1.00 3.50 C ATOM 85 CD GLU A 7 2.957 14.225 -4.748 1.00 12.05 C ATOM 86 OE1 GLU A 7 2.187 13.242 -4.755 1.00 63.35 O ATOM 87 OE2 GLU A 7 3.966 14.299 -4.016 1.00 45.11 O ATOM 0 H GLU A 7 2.498 12.554 -6.505 1.00 31.12 H new ATOM 0 HA GLU A 7 2.819 14.014 -8.847 1.00 24.24 H new ATOM 0 HB2 GLU A 7 1.891 15.815 -7.625 1.00 20.01 H new ATOM 0 HB3 GLU A 7 1.214 14.375 -6.890 1.00 20.01 H new ATOM 0 HG2 GLU A 7 3.552 15.984 -5.809 1.00 3.50 H new ATOM 0 HG3 GLU A 7 1.908 16.033 -5.204 1.00 3.50 H new ATOM 94 N GLU A 8 5.293 14.343 -6.731 1.00 53.51 N ATOM 95 CA GLU A 8 6.640 14.877 -6.565 1.00 55.23 C ATOM 96 C GLU A 8 7.616 14.194 -7.518 1.00 45.41 C ATOM 97 O GLU A 8 8.662 14.750 -7.857 1.00 11.22 O ATOM 98 CB GLU A 8 7.109 14.697 -5.120 1.00 62.22 C ATOM 99 CG GLU A 8 7.289 13.243 -4.716 1.00 3.33 C ATOM 100 CD GLU A 8 6.891 12.985 -3.275 1.00 64.05 C ATOM 101 OE1 GLU A 8 6.887 13.947 -2.479 1.00 73.40 O ATOM 102 OE2 GLU A 8 6.584 11.820 -2.945 1.00 43.23 O ATOM 0 H GLU A 8 5.008 13.683 -6.007 1.00 53.51 H new ATOM 0 HA GLU A 8 6.614 15.941 -6.800 1.00 55.23 H new ATOM 0 HB2 GLU A 8 8.054 15.223 -4.985 1.00 62.22 H new ATOM 0 HB3 GLU A 8 6.386 15.165 -4.451 1.00 62.22 H new ATOM 0 HG2 GLU A 8 6.692 12.611 -5.373 1.00 3.33 H new ATOM 0 HG3 GLU A 8 8.331 12.956 -4.858 1.00 3.33 H new ATOM 109 N HIS A 9 7.269 12.985 -7.947 1.00 15.12 N ATOM 110 CA HIS A 9 8.114 12.225 -8.861 1.00 0.43 C ATOM 111 C HIS A 9 7.889 12.668 -10.304 1.00 20.55 C ATOM 112 O HIS A 9 8.492 12.125 -11.230 1.00 43.30 O ATOM 113 CB HIS A 9 7.833 10.729 -8.724 1.00 20.30 C ATOM 114 CG HIS A 9 9.072 9.888 -8.687 1.00 33.45 C ATOM 115 ND1 HIS A 9 9.662 9.366 -9.818 1.00 74.34 N ATOM 116 CD2 HIS A 9 9.834 9.480 -7.645 1.00 31.11 C ATOM 117 CE1 HIS A 9 10.732 8.672 -9.474 1.00 71.15 C ATOM 118 NE2 HIS A 9 10.859 8.726 -8.161 1.00 30.11 N ATOM 0 H HIS A 9 6.408 12.510 -7.676 1.00 15.12 H new ATOM 0 HA HIS A 9 9.155 12.416 -8.599 1.00 0.43 H new ATOM 0 HB2 HIS A 9 7.260 10.557 -7.813 1.00 20.30 H new ATOM 0 HB3 HIS A 9 7.210 10.407 -9.558 1.00 20.30 H new ATOM 0 HD2 HIS A 9 9.667 9.706 -6.602 1.00 31.11 H new ATOM 0 HE1 HIS A 9 11.391 8.149 -10.152 1.00 71.15 H new ATOM 0 HE2 HIS A 9 11.598 8.280 -7.618 1.00 30.11 H new ATOM 126 N ILE A 10 7.017 13.654 -10.486 1.00 25.32 N ATOM 127 CA ILE A 10 6.714 14.168 -11.815 1.00 53.05 C ATOM 128 C ILE A 10 7.716 15.239 -12.233 1.00 13.13 C ATOM 129 O ILE A 10 8.401 15.102 -13.247 1.00 15.13 O ATOM 130 CB ILE A 10 5.292 14.758 -11.880 1.00 24.41 C ATOM 131 CG1 ILE A 10 4.257 13.690 -11.521 1.00 20.22 C ATOM 132 CG2 ILE A 10 5.017 15.326 -13.264 1.00 60.10 C ATOM 133 CD1 ILE A 10 2.845 14.224 -11.429 1.00 11.21 C ATOM 0 H ILE A 10 6.508 14.112 -9.730 1.00 25.32 H new ATOM 0 HA ILE A 10 6.781 13.324 -12.502 1.00 53.05 H new ATOM 0 HB ILE A 10 5.217 15.568 -11.155 1.00 24.41 H new ATOM 0 HG12 ILE A 10 4.289 12.898 -12.269 1.00 20.22 H new ATOM 0 HG13 ILE A 10 4.529 13.238 -10.567 1.00 20.22 H new ATOM 0 HG21 ILE A 10 4.009 15.739 -13.294 1.00 60.10 H new ATOM 0 HG22 ILE A 10 5.738 16.113 -13.484 1.00 60.10 H new ATOM 0 HG23 ILE A 10 5.107 14.533 -14.007 1.00 60.10 H new ATOM 0 HD11 ILE A 10 2.165 13.412 -11.171 1.00 11.21 H new ATOM 0 HD12 ILE A 10 2.797 14.995 -10.660 1.00 11.21 H new ATOM 0 HD13 ILE A 10 2.554 14.650 -12.389 1.00 11.21 H new ATOM 145 N TYR A 11 7.797 16.304 -11.443 1.00 44.34 N ATOM 146 CA TYR A 11 8.716 17.400 -11.731 1.00 34.13 C ATOM 147 C TYR A 11 9.750 17.549 -10.620 1.00 5.13 C ATOM 148 O TYR A 11 9.408 17.826 -9.470 1.00 72.40 O ATOM 149 CB TYR A 11 7.943 18.709 -11.902 1.00 61.14 C ATOM 150 CG TYR A 11 7.063 18.736 -13.132 1.00 30.24 C ATOM 151 CD1 TYR A 11 7.614 18.844 -14.402 1.00 73.15 C ATOM 152 CD2 TYR A 11 5.680 18.652 -13.022 1.00 3.22 C ATOM 153 CE1 TYR A 11 6.813 18.870 -15.528 1.00 63.30 C ATOM 154 CE2 TYR A 11 4.872 18.676 -14.142 1.00 61.30 C ATOM 155 CZ TYR A 11 5.443 18.785 -15.393 1.00 2.13 C ATOM 156 OH TYR A 11 4.643 18.809 -16.512 1.00 35.04 O ATOM 0 H TYR A 11 7.238 16.432 -10.599 1.00 44.34 H new ATOM 0 HA TYR A 11 9.238 17.169 -12.660 1.00 34.13 H new ATOM 0 HB2 TYR A 11 7.325 18.874 -11.020 1.00 61.14 H new ATOM 0 HB3 TYR A 11 8.652 19.536 -11.954 1.00 61.14 H new ATOM 0 HD1 TYR A 11 8.686 18.909 -14.512 1.00 73.15 H new ATOM 0 HD2 TYR A 11 5.229 18.567 -12.044 1.00 3.22 H new ATOM 0 HE1 TYR A 11 7.258 18.956 -16.508 1.00 63.30 H new ATOM 0 HE2 TYR A 11 3.799 18.610 -14.039 1.00 61.30 H new ATOM 0 HH TYR A 11 3.703 18.739 -16.244 1.00 35.04 H new ATOM 166 N ARG A 12 11.018 17.364 -10.972 1.00 44.45 N ATOM 167 CA ARG A 12 12.104 17.477 -10.006 1.00 45.54 C ATOM 168 C ARG A 12 12.278 18.923 -9.550 1.00 15.13 C ATOM 169 O ARG A 12 12.477 19.190 -8.365 1.00 72.41 O ATOM 170 CB ARG A 12 13.411 16.963 -10.614 1.00 1.35 C ATOM 171 CG ARG A 12 13.808 17.674 -11.897 1.00 54.31 C ATOM 172 CD ARG A 12 15.037 17.040 -12.528 1.00 41.03 C ATOM 173 NE ARG A 12 16.001 18.042 -12.977 1.00 33.24 N ATOM 174 CZ ARG A 12 17.098 17.749 -13.666 1.00 52.31 C ATOM 175 NH1 ARG A 12 17.369 16.491 -13.985 1.00 54.32 N ATOM 176 NH2 ARG A 12 17.926 18.717 -14.038 1.00 64.44 N ATOM 0 H ARG A 12 11.319 17.135 -11.919 1.00 44.45 H new ATOM 0 HA ARG A 12 11.850 16.868 -9.138 1.00 45.54 H new ATOM 0 HB2 ARG A 12 14.211 17.077 -9.883 1.00 1.35 H new ATOM 0 HB3 ARG A 12 13.313 15.896 -10.815 1.00 1.35 H new ATOM 0 HG2 ARG A 12 12.978 17.643 -12.603 1.00 54.31 H new ATOM 0 HG3 ARG A 12 14.007 18.725 -11.685 1.00 54.31 H new ATOM 0 HD2 ARG A 12 15.513 16.376 -11.806 1.00 41.03 H new ATOM 0 HD3 ARG A 12 14.733 16.424 -13.375 1.00 41.03 H new ATOM 0 HE ARG A 12 15.822 19.020 -12.749 1.00 33.24 H new ATOM 0 HH11 ARG A 12 16.734 15.745 -13.701 1.00 54.32 H new ATOM 0 HH12 ARG A 12 18.212 16.269 -14.514 1.00 54.32 H new ATOM 0 HH21 ARG A 12 17.720 19.686 -13.795 1.00 64.44 H new ATOM 0 HH22 ARG A 12 18.769 18.492 -14.567 1.00 64.44 H new ATOM 190 N GLU A 13 12.200 19.851 -10.498 1.00 44.33 N ATOM 191 CA GLU A 13 12.350 21.269 -10.193 1.00 10.24 C ATOM 192 C GLU A 13 11.310 21.718 -9.170 1.00 53.14 C ATOM 193 O GLU A 13 11.613 22.486 -8.257 1.00 50.30 O ATOM 194 CB GLU A 13 12.222 22.105 -11.468 1.00 34.02 C ATOM 195 CG GLU A 13 13.453 22.053 -12.356 1.00 61.33 C ATOM 196 CD GLU A 13 14.250 23.342 -12.325 1.00 50.54 C ATOM 197 OE1 GLU A 13 14.584 23.808 -11.216 1.00 34.02 O ATOM 198 OE2 GLU A 13 14.540 23.886 -13.412 1.00 0.12 O ATOM 0 H GLU A 13 12.034 19.647 -11.483 1.00 44.33 H new ATOM 0 HA GLU A 13 13.342 21.420 -9.767 1.00 10.24 H new ATOM 0 HB2 GLU A 13 11.360 21.756 -12.036 1.00 34.02 H new ATOM 0 HB3 GLU A 13 12.025 23.142 -11.194 1.00 34.02 H new ATOM 0 HG2 GLU A 13 14.091 21.228 -12.038 1.00 61.33 H new ATOM 0 HG3 GLU A 13 13.148 21.843 -13.381 1.00 61.33 H new ATOM 205 N ILE A 14 10.083 21.234 -9.332 1.00 30.22 N ATOM 206 CA ILE A 14 8.998 21.584 -8.423 1.00 42.35 C ATOM 207 C ILE A 14 9.346 21.219 -6.985 1.00 22.35 C ATOM 208 O ILE A 14 8.777 21.765 -6.040 1.00 23.11 O ATOM 209 CB ILE A 14 7.685 20.882 -8.817 1.00 24.53 C ATOM 210 CG1 ILE A 14 7.245 21.321 -10.214 1.00 51.15 C ATOM 211 CG2 ILE A 14 6.598 21.179 -7.795 1.00 5.53 C ATOM 212 CD1 ILE A 14 6.927 22.797 -10.312 1.00 33.34 C ATOM 0 H ILE A 14 9.815 20.599 -10.084 1.00 30.22 H new ATOM 0 HA ILE A 14 8.860 22.663 -8.497 1.00 42.35 H new ATOM 0 HB ILE A 14 7.857 19.806 -8.833 1.00 24.53 H new ATOM 0 HG12 ILE A 14 8.033 21.079 -10.927 1.00 51.15 H new ATOM 0 HG13 ILE A 14 6.365 20.748 -10.506 1.00 51.15 H new ATOM 0 HG21 ILE A 14 5.676 20.676 -8.087 1.00 5.53 H new ATOM 0 HG22 ILE A 14 6.912 20.820 -6.815 1.00 5.53 H new ATOM 0 HG23 ILE A 14 6.426 22.254 -7.749 1.00 5.53 H new ATOM 0 HD11 ILE A 14 6.622 23.037 -11.331 1.00 33.34 H new ATOM 0 HD12 ILE A 14 6.118 23.041 -9.624 1.00 33.34 H new ATOM 0 HD13 ILE A 14 7.812 23.378 -10.052 1.00 33.34 H new ATOM 224 N MET A 15 10.286 20.292 -6.826 1.00 12.31 N ATOM 225 CA MET A 15 10.712 19.856 -5.501 1.00 63.14 C ATOM 226 C MET A 15 11.080 21.051 -4.628 1.00 22.14 C ATOM 227 O MET A 15 11.006 20.980 -3.401 1.00 62.04 O ATOM 228 CB MET A 15 11.905 18.905 -5.614 1.00 24.11 C ATOM 229 CG MET A 15 12.320 18.290 -4.287 1.00 12.32 C ATOM 230 SD MET A 15 13.325 16.808 -4.492 1.00 24.20 S ATOM 231 CE MET A 15 12.430 15.646 -3.464 1.00 53.21 C ATOM 0 H MET A 15 10.766 19.829 -7.597 1.00 12.31 H new ATOM 0 HA MET A 15 9.880 19.330 -5.033 1.00 63.14 H new ATOM 0 HB2 MET A 15 11.658 18.107 -6.314 1.00 24.11 H new ATOM 0 HB3 MET A 15 12.752 19.446 -6.035 1.00 24.11 H new ATOM 0 HG2 MET A 15 12.879 19.026 -3.709 1.00 12.32 H new ATOM 0 HG3 MET A 15 11.428 18.043 -3.711 1.00 12.32 H new ATOM 0 HE1 MET A 15 12.931 14.678 -3.488 1.00 53.21 H new ATOM 0 HE2 MET A 15 12.401 16.014 -2.439 1.00 53.21 H new ATOM 0 HE3 MET A 15 11.412 15.537 -3.839 1.00 53.21 H new ATOM 241 N GLU A 16 11.477 22.147 -5.267 1.00 72.44 N ATOM 242 CA GLU A 16 11.857 23.356 -4.547 1.00 21.23 C ATOM 243 C GLU A 16 10.737 23.808 -3.614 1.00 2.20 C ATOM 244 O GLU A 16 10.952 24.006 -2.417 1.00 43.34 O ATOM 245 CB GLU A 16 12.200 24.476 -5.531 1.00 10.23 C ATOM 246 CG GLU A 16 13.549 24.300 -6.207 1.00 50.35 C ATOM 247 CD GLU A 16 14.672 24.064 -5.217 1.00 3.33 C ATOM 248 OE1 GLU A 16 15.175 25.052 -4.643 1.00 3.54 O ATOM 249 OE2 GLU A 16 15.048 22.890 -5.015 1.00 41.34 O ATOM 0 H GLU A 16 11.544 22.222 -6.282 1.00 72.44 H new ATOM 0 HA GLU A 16 12.737 23.129 -3.946 1.00 21.23 H new ATOM 0 HB2 GLU A 16 11.424 24.527 -6.295 1.00 10.23 H new ATOM 0 HB3 GLU A 16 12.190 25.429 -5.002 1.00 10.23 H new ATOM 0 HG2 GLU A 16 13.497 23.459 -6.899 1.00 50.35 H new ATOM 0 HG3 GLU A 16 13.773 25.187 -6.799 1.00 50.35 H new ATOM 256 N LEU A 17 9.542 23.970 -4.170 1.00 12.30 N ATOM 257 CA LEU A 17 8.387 24.400 -3.389 1.00 73.13 C ATOM 258 C LEU A 17 7.736 23.215 -2.683 1.00 11.24 C ATOM 259 O LEU A 17 7.411 23.289 -1.497 1.00 12.10 O ATOM 260 CB LEU A 17 7.365 25.094 -4.292 1.00 64.43 C ATOM 261 CG LEU A 17 6.472 26.136 -3.619 1.00 4.14 C ATOM 262 CD1 LEU A 17 6.964 27.541 -3.930 1.00 52.21 C ATOM 263 CD2 LEU A 17 5.026 25.965 -4.060 1.00 22.21 C ATOM 0 H LEU A 17 9.347 23.810 -5.158 1.00 12.30 H new ATOM 0 HA LEU A 17 8.733 25.105 -2.633 1.00 73.13 H new ATOM 0 HB2 LEU A 17 7.901 25.577 -5.109 1.00 64.43 H new ATOM 0 HB3 LEU A 17 6.727 24.331 -4.737 1.00 64.43 H new ATOM 0 HG LEU A 17 6.521 25.986 -2.540 1.00 4.14 H new ATOM 0 HD11 LEU A 17 6.316 28.270 -3.443 1.00 52.21 H new ATOM 0 HD12 LEU A 17 7.984 27.659 -3.563 1.00 52.21 H new ATOM 0 HD13 LEU A 17 6.945 27.703 -5.008 1.00 52.21 H new ATOM 0 HD21 LEU A 17 4.405 26.715 -3.571 1.00 22.21 H new ATOM 0 HD22 LEU A 17 4.958 26.087 -5.141 1.00 22.21 H new ATOM 0 HD23 LEU A 17 4.677 24.970 -3.785 1.00 22.21 H new ATOM 275 N CYS A 18 7.551 22.124 -3.417 1.00 71.01 N ATOM 276 CA CYS A 18 6.940 20.922 -2.860 1.00 41.03 C ATOM 277 C CYS A 18 7.574 20.560 -1.521 1.00 42.41 C ATOM 278 O CYS A 18 6.889 20.129 -0.594 1.00 15.21 O ATOM 279 CB CYS A 18 7.081 19.754 -3.837 1.00 62.22 C ATOM 280 SG CYS A 18 6.510 18.169 -3.180 1.00 53.13 S ATOM 0 H CYS A 18 7.815 22.046 -4.399 1.00 71.01 H new ATOM 0 HA CYS A 18 5.881 21.124 -2.697 1.00 41.03 H new ATOM 0 HB2 CYS A 18 6.520 19.983 -4.743 1.00 62.22 H new ATOM 0 HB3 CYS A 18 8.128 19.660 -4.125 1.00 62.22 H new ATOM 0 HG CYS A 18 6.468 17.292 -4.138 1.00 53.13 H new ATOM 286 N PHE A 19 8.888 20.737 -1.427 1.00 50.34 N ATOM 287 CA PHE A 19 9.616 20.427 -0.202 1.00 53.14 C ATOM 288 C PHE A 19 8.996 21.143 0.994 1.00 4.32 C ATOM 289 O PHE A 19 8.855 20.566 2.073 1.00 45.44 O ATOM 290 CB PHE A 19 11.087 20.824 -0.343 1.00 54.25 C ATOM 291 CG PHE A 19 11.929 20.432 0.836 1.00 23.43 C ATOM 292 CD1 PHE A 19 12.032 21.264 1.939 1.00 14.40 C ATOM 293 CD2 PHE A 19 12.619 19.230 0.843 1.00 74.21 C ATOM 294 CE1 PHE A 19 12.807 20.906 3.025 1.00 31.24 C ATOM 295 CE2 PHE A 19 13.395 18.866 1.927 1.00 62.42 C ATOM 296 CZ PHE A 19 13.489 19.704 3.020 1.00 55.51 C ATOM 0 H PHE A 19 9.470 21.094 -2.185 1.00 50.34 H new ATOM 0 HA PHE A 19 9.552 19.352 -0.033 1.00 53.14 H new ATOM 0 HB2 PHE A 19 11.496 20.361 -1.241 1.00 54.25 H new ATOM 0 HB3 PHE A 19 11.152 21.903 -0.483 1.00 54.25 H new ATOM 0 HD1 PHE A 19 11.500 22.204 1.950 1.00 14.40 H new ATOM 0 HD2 PHE A 19 12.549 18.570 -0.009 1.00 74.21 H new ATOM 0 HE1 PHE A 19 12.880 21.565 3.877 1.00 31.24 H new ATOM 0 HE2 PHE A 19 13.928 17.926 1.919 1.00 62.42 H new ATOM 0 HZ PHE A 19 14.094 19.421 3.869 1.00 55.51 H new ATOM 306 N VAL A 20 8.629 22.405 0.796 1.00 53.22 N ATOM 307 CA VAL A 20 8.024 23.201 1.857 1.00 1.31 C ATOM 308 C VAL A 20 6.568 22.807 2.078 1.00 1.04 C ATOM 309 O VAL A 20 6.099 22.739 3.215 1.00 70.22 O ATOM 310 CB VAL A 20 8.094 24.707 1.539 1.00 62.31 C ATOM 311 CG1 VAL A 20 7.336 25.510 2.585 1.00 24.42 C ATOM 312 CG2 VAL A 20 9.542 25.165 1.449 1.00 71.13 C ATOM 0 H VAL A 20 8.740 22.898 -0.090 1.00 53.22 H new ATOM 0 HA VAL A 20 8.593 23.002 2.765 1.00 1.31 H new ATOM 0 HB VAL A 20 7.621 24.879 0.572 1.00 62.31 H new ATOM 0 HG11 VAL A 20 7.397 26.571 2.343 1.00 24.42 H new ATOM 0 HG12 VAL A 20 6.291 25.199 2.595 1.00 24.42 H new ATOM 0 HG13 VAL A 20 7.776 25.336 3.567 1.00 24.42 H new ATOM 0 HG21 VAL A 20 9.573 26.231 1.224 1.00 71.13 H new ATOM 0 HG22 VAL A 20 10.042 24.980 2.400 1.00 71.13 H new ATOM 0 HG23 VAL A 20 10.050 24.612 0.659 1.00 71.13 H new ATOM 322 N ILE A 21 5.858 22.548 0.985 1.00 5.03 N ATOM 323 CA ILE A 21 4.456 22.159 1.060 1.00 32.32 C ATOM 324 C ILE A 21 4.290 20.840 1.808 1.00 45.00 C ATOM 325 O ILE A 21 3.305 20.636 2.517 1.00 0.21 O ATOM 326 CB ILE A 21 3.834 22.022 -0.342 1.00 52.30 C ATOM 327 CG1 ILE A 21 4.131 23.268 -1.179 1.00 41.01 C ATOM 328 CG2 ILE A 21 2.333 21.794 -0.236 1.00 3.51 C ATOM 329 CD1 ILE A 21 3.698 24.558 -0.518 1.00 72.21 C ATOM 0 H ILE A 21 6.231 22.601 0.037 1.00 5.03 H new ATOM 0 HA ILE A 21 3.938 22.950 1.603 1.00 32.32 H new ATOM 0 HB ILE A 21 4.279 21.159 -0.838 1.00 52.30 H new ATOM 0 HG12 ILE A 21 5.201 23.314 -1.380 1.00 41.01 H new ATOM 0 HG13 ILE A 21 3.629 23.177 -2.142 1.00 41.01 H new ATOM 0 HG21 ILE A 21 1.908 21.699 -1.235 1.00 3.51 H new ATOM 0 HG22 ILE A 21 2.143 20.881 0.328 1.00 3.51 H new ATOM 0 HG23 ILE A 21 1.872 22.639 0.276 1.00 3.51 H new ATOM 0 HD11 ILE A 21 3.940 25.399 -1.168 1.00 72.21 H new ATOM 0 HD12 ILE A 21 2.623 24.533 -0.341 1.00 72.21 H new ATOM 0 HD13 ILE A 21 4.219 24.673 0.432 1.00 72.21 H new ATOM 341 N ARG A 22 5.262 19.948 1.646 1.00 44.32 N ATOM 342 CA ARG A 22 5.225 18.649 2.306 1.00 61.10 C ATOM 343 C ARG A 22 5.328 18.805 3.820 1.00 15.53 C ATOM 344 O ARG A 22 4.809 17.984 4.577 1.00 13.24 O ATOM 345 CB ARG A 22 6.362 17.761 1.796 1.00 0.32 C ATOM 346 CG ARG A 22 6.316 16.342 2.338 1.00 71.24 C ATOM 347 CD ARG A 22 7.308 16.146 3.473 1.00 0.34 C ATOM 348 NE ARG A 22 7.922 14.822 3.442 1.00 61.42 N ATOM 349 CZ ARG A 22 8.927 14.496 2.636 1.00 12.40 C ATOM 350 NH1 ARG A 22 9.428 15.395 1.800 1.00 2.22 N ATOM 351 NH2 ARG A 22 9.432 13.270 2.666 1.00 64.13 N ATOM 0 H ARG A 22 6.085 20.102 1.063 1.00 44.32 H new ATOM 0 HA ARG A 22 4.271 18.177 2.070 1.00 61.10 H new ATOM 0 HB2 ARG A 22 6.324 17.726 0.707 1.00 0.32 H new ATOM 0 HB3 ARG A 22 7.315 18.214 2.068 1.00 0.32 H new ATOM 0 HG2 ARG A 22 5.309 16.119 2.691 1.00 71.24 H new ATOM 0 HG3 ARG A 22 6.536 15.638 1.536 1.00 71.24 H new ATOM 0 HD2 ARG A 22 8.085 16.907 3.410 1.00 0.34 H new ATOM 0 HD3 ARG A 22 6.800 16.287 4.427 1.00 0.34 H new ATOM 0 HE ARG A 22 7.560 14.108 4.074 1.00 61.42 H new ATOM 0 HH11 ARG A 22 9.042 16.339 1.775 1.00 2.22 H new ATOM 0 HH12 ARG A 22 10.199 15.143 1.182 1.00 2.22 H new ATOM 0 HH21 ARG A 22 9.049 12.576 3.308 1.00 64.13 H new ATOM 0 HH22 ARG A 22 10.203 13.021 2.047 1.00 64.13 H new ATOM 365 N THR A 23 6.001 19.866 4.257 1.00 70.45 N ATOM 366 CA THR A 23 6.173 20.129 5.679 1.00 2.25 C ATOM 367 C THR A 23 4.859 20.556 6.323 1.00 53.14 C ATOM 368 O THR A 23 4.627 20.310 7.506 1.00 44.10 O ATOM 369 CB THR A 23 7.230 21.223 5.924 1.00 23.53 C ATOM 370 OG1 THR A 23 6.655 22.517 5.713 1.00 73.40 O ATOM 371 CG2 THR A 23 8.425 21.036 5.001 1.00 1.52 C ATOM 0 H THR A 23 6.436 20.557 3.645 1.00 70.45 H new ATOM 0 HA THR A 23 6.511 19.198 6.133 1.00 2.25 H new ATOM 0 HB THR A 23 7.572 21.143 6.956 1.00 23.53 H new ATOM 0 HG1 THR A 23 6.771 22.777 4.775 1.00 73.40 H new ATOM 0 HG21 THR A 23 9.158 21.820 5.192 1.00 1.52 H new ATOM 0 HG22 THR A 23 8.878 20.062 5.186 1.00 1.52 H new ATOM 0 HG23 THR A 23 8.096 21.092 3.963 1.00 1.52 H new ATOM 379 N MET A 24 4.001 21.196 5.535 1.00 14.43 N ATOM 380 CA MET A 24 2.708 21.656 6.029 1.00 75.31 C ATOM 381 C MET A 24 1.678 20.531 5.986 1.00 64.41 C ATOM 382 O MET A 24 1.090 20.176 7.007 1.00 54.32 O ATOM 383 CB MET A 24 2.215 22.845 5.202 1.00 61.10 C ATOM 384 CG MET A 24 2.946 24.142 5.507 1.00 24.05 C ATOM 385 SD MET A 24 2.573 24.779 7.152 1.00 12.23 S ATOM 386 CE MET A 24 0.795 24.968 7.046 1.00 12.14 C ATOM 0 H MET A 24 4.177 21.408 4.553 1.00 14.43 H new ATOM 0 HA MET A 24 2.834 21.971 7.065 1.00 75.31 H new ATOM 0 HB2 MET A 24 2.330 22.613 4.143 1.00 61.10 H new ATOM 0 HB3 MET A 24 1.150 22.987 5.384 1.00 61.10 H new ATOM 0 HG2 MET A 24 4.020 23.978 5.420 1.00 24.05 H new ATOM 0 HG3 MET A 24 2.676 24.890 4.762 1.00 24.05 H new ATOM 0 HE1 MET A 24 0.506 25.932 7.464 1.00 12.14 H new ATOM 0 HE2 MET A 24 0.485 24.918 6.002 1.00 12.14 H new ATOM 0 HE3 MET A 24 0.310 24.169 7.607 1.00 12.14 H new ATOM 396 N ALA A 25 1.467 19.973 4.798 1.00 14.32 N ATOM 397 CA ALA A 25 0.510 18.888 4.623 1.00 31.44 C ATOM 398 C ALA A 25 1.100 17.557 5.079 1.00 50.30 C ATOM 399 O ALA A 25 2.282 17.286 4.865 1.00 13.15 O ATOM 400 CB ALA A 25 0.069 18.801 3.170 1.00 42.44 C ATOM 0 H ALA A 25 1.946 20.255 3.943 1.00 14.32 H new ATOM 0 HA ALA A 25 -0.361 19.102 5.243 1.00 31.44 H new ATOM 0 HB1 ALA A 25 -0.646 17.986 3.055 1.00 42.44 H new ATOM 0 HB2 ALA A 25 -0.400 19.740 2.875 1.00 42.44 H new ATOM 0 HB3 ALA A 25 0.937 18.615 2.537 1.00 42.44 H new ATOM 406 N ARG A 26 0.270 16.732 5.708 1.00 60.41 N ATOM 407 CA ARG A 26 0.711 15.430 6.195 1.00 12.24 C ATOM 408 C ARG A 26 0.043 14.302 5.414 1.00 12.34 C ATOM 409 O ARG A 26 0.664 13.673 4.557 1.00 5.35 O ATOM 410 CB ARG A 26 0.398 15.288 7.686 1.00 22.41 C ATOM 411 CG ARG A 26 1.340 16.074 8.584 1.00 75.22 C ATOM 412 CD ARG A 26 0.678 17.336 9.115 1.00 22.11 C ATOM 413 NE ARG A 26 -0.255 17.049 10.201 1.00 12.21 N ATOM 414 CZ ARG A 26 -1.002 17.975 10.792 1.00 52.22 C ATOM 415 NH1 ARG A 26 -0.926 19.241 10.403 1.00 22.50 N ATOM 416 NH2 ARG A 26 -1.828 17.636 11.773 1.00 12.24 N ATOM 0 H ARG A 26 -0.711 16.941 5.892 1.00 60.41 H new ATOM 0 HA ARG A 26 1.789 15.361 6.048 1.00 12.24 H new ATOM 0 HB2 ARG A 26 -0.624 15.620 7.867 1.00 22.41 H new ATOM 0 HB3 ARG A 26 0.444 14.234 7.959 1.00 22.41 H new ATOM 0 HG2 ARG A 26 1.656 15.448 9.419 1.00 75.22 H new ATOM 0 HG3 ARG A 26 2.239 16.340 8.027 1.00 75.22 H new ATOM 0 HD2 ARG A 26 1.444 18.026 9.468 1.00 22.11 H new ATOM 0 HD3 ARG A 26 0.148 17.836 8.304 1.00 22.11 H new ATOM 0 HE ARG A 26 -0.338 16.085 10.523 1.00 12.21 H new ATOM 0 HH11 ARG A 26 -0.293 19.506 9.648 1.00 22.50 H new ATOM 0 HH12 ARG A 26 -1.501 19.950 10.859 1.00 22.50 H new ATOM 0 HH21 ARG A 26 -1.890 16.663 12.074 1.00 12.24 H new ATOM 0 HH22 ARG A 26 -2.401 18.348 12.226 1.00 12.24 H new ATOM 430 N HIS A 27 -1.227 14.051 5.717 1.00 51.42 N ATOM 431 CA HIS A 27 -1.980 12.999 5.043 1.00 1.21 C ATOM 432 C HIS A 27 -1.949 13.193 3.530 1.00 21.31 C ATOM 433 O HIS A 27 -2.021 12.227 2.770 1.00 52.24 O ATOM 434 CB HIS A 27 -3.427 12.982 5.537 1.00 23.23 C ATOM 435 CG HIS A 27 -4.108 11.661 5.350 1.00 25.14 C ATOM 436 ND1 HIS A 27 -3.674 10.499 5.952 1.00 24.32 N ATOM 437 CD2 HIS A 27 -5.199 11.322 4.625 1.00 42.34 C ATOM 438 CE1 HIS A 27 -4.467 9.502 5.603 1.00 34.14 C ATOM 439 NE2 HIS A 27 -5.401 9.975 4.798 1.00 15.34 N ATOM 0 H HIS A 27 -1.756 14.561 6.424 1.00 51.42 H new ATOM 0 HA HIS A 27 -1.512 12.043 5.279 1.00 1.21 H new ATOM 0 HB2 HIS A 27 -3.444 13.244 6.595 1.00 23.23 H new ATOM 0 HB3 HIS A 27 -3.992 13.751 5.009 1.00 23.23 H new ATOM 0 HD2 HIS A 27 -5.799 11.987 4.022 1.00 42.34 H new ATOM 0 HE1 HIS A 27 -4.368 8.475 5.922 1.00 34.14 H new ATOM 0 HE2 HIS A 27 -6.151 9.429 4.374 1.00 15.34 H new ATOM 447 N ARG A 28 -1.842 14.446 3.101 1.00 70.13 N ATOM 448 CA ARG A 28 -1.804 14.766 1.679 1.00 63.42 C ATOM 449 C ARG A 28 -0.616 14.089 1.001 1.00 22.21 C ATOM 450 O ARG A 28 -0.643 13.823 -0.201 1.00 3.43 O ATOM 451 CB ARG A 28 -1.725 16.280 1.477 1.00 61.02 C ATOM 452 CG ARG A 28 -2.746 17.057 2.292 1.00 40.05 C ATOM 453 CD ARG A 28 -4.162 16.581 2.010 1.00 74.13 C ATOM 454 NE ARG A 28 -5.165 17.520 2.506 1.00 45.31 N ATOM 455 CZ ARG A 28 -6.443 17.489 2.147 1.00 71.41 C ATOM 456 NH1 ARG A 28 -6.873 16.569 1.294 1.00 40.01 N ATOM 457 NH2 ARG A 28 -7.295 18.378 2.642 1.00 63.31 N ATOM 0 H ARG A 28 -1.780 15.256 3.718 1.00 70.13 H new ATOM 0 HA ARG A 28 -2.721 14.393 1.224 1.00 63.42 H new ATOM 0 HB2 ARG A 28 -0.725 16.622 1.742 1.00 61.02 H new ATOM 0 HB3 ARG A 28 -1.869 16.505 0.420 1.00 61.02 H new ATOM 0 HG2 ARG A 28 -2.528 16.944 3.354 1.00 40.05 H new ATOM 0 HG3 ARG A 28 -2.665 18.119 2.061 1.00 40.05 H new ATOM 0 HD2 ARG A 28 -4.292 16.446 0.936 1.00 74.13 H new ATOM 0 HD3 ARG A 28 -4.316 15.607 2.475 1.00 74.13 H new ATOM 0 HE ARG A 28 -4.867 18.240 3.165 1.00 45.31 H new ATOM 0 HH11 ARG A 28 -6.222 15.883 0.912 1.00 40.01 H new ATOM 0 HH12 ARG A 28 -7.855 16.547 1.020 1.00 40.01 H new ATOM 0 HH21 ARG A 28 -6.968 19.086 3.299 1.00 63.31 H new ATOM 0 HH22 ARG A 28 -8.276 18.353 2.365 1.00 63.31 H new ATOM 471 N ARG A 29 0.425 13.813 1.780 1.00 10.12 N ATOM 472 CA ARG A 29 1.623 13.169 1.255 1.00 10.11 C ATOM 473 C ARG A 29 1.264 11.911 0.470 1.00 22.44 C ATOM 474 O ARG A 29 1.982 11.514 -0.448 1.00 21.34 O ATOM 475 CB ARG A 29 2.580 12.817 2.396 1.00 73.45 C ATOM 476 CG ARG A 29 3.905 12.243 1.923 1.00 65.21 C ATOM 477 CD ARG A 29 4.818 11.912 3.093 1.00 4.23 C ATOM 478 NE ARG A 29 5.791 10.877 2.754 1.00 75.43 N ATOM 479 CZ ARG A 29 6.676 10.389 3.615 1.00 30.14 C ATOM 480 NH1 ARG A 29 6.711 10.840 4.862 1.00 42.14 N ATOM 481 NH2 ARG A 29 7.528 9.447 3.231 1.00 3.22 N ATOM 0 H ARG A 29 0.463 14.025 2.777 1.00 10.12 H new ATOM 0 HA ARG A 29 2.116 13.869 0.580 1.00 10.11 H new ATOM 0 HB2 ARG A 29 2.772 13.712 2.987 1.00 73.45 H new ATOM 0 HB3 ARG A 29 2.096 12.097 3.056 1.00 73.45 H new ATOM 0 HG2 ARG A 29 3.724 11.343 1.335 1.00 65.21 H new ATOM 0 HG3 ARG A 29 4.399 12.959 1.266 1.00 65.21 H new ATOM 0 HD2 ARG A 29 5.343 12.813 3.409 1.00 4.23 H new ATOM 0 HD3 ARG A 29 4.216 11.580 3.939 1.00 4.23 H new ATOM 0 HE ARG A 29 5.791 10.509 1.803 1.00 75.43 H new ATOM 0 HH11 ARG A 29 6.057 11.563 5.161 1.00 42.14 H new ATOM 0 HH12 ARG A 29 7.392 10.463 5.522 1.00 42.14 H new ATOM 0 HH21 ARG A 29 7.504 9.097 2.273 1.00 3.22 H new ATOM 0 HH22 ARG A 29 8.207 9.073 3.894 1.00 3.22 H new ATOM 495 N ASP A 30 0.150 11.288 0.839 1.00 60.15 N ATOM 496 CA ASP A 30 -0.305 10.075 0.169 1.00 24.31 C ATOM 497 C ASP A 30 -0.578 10.339 -1.308 1.00 43.03 C ATOM 498 O ASP A 30 -0.395 9.461 -2.151 1.00 1.14 O ATOM 499 CB ASP A 30 -1.566 9.536 0.845 1.00 33.22 C ATOM 500 CG ASP A 30 -1.618 8.021 0.851 1.00 21.30 C ATOM 501 OD1 ASP A 30 -1.389 7.415 -0.217 1.00 21.31 O ATOM 502 OD2 ASP A 30 -1.886 7.441 1.924 1.00 74.33 O ATOM 0 H ASP A 30 -0.454 11.603 1.598 1.00 60.15 H new ATOM 0 HA ASP A 30 0.486 9.329 0.246 1.00 24.31 H new ATOM 0 HB2 ASP A 30 -1.609 9.902 1.871 1.00 33.22 H new ATOM 0 HB3 ASP A 30 -2.445 9.925 0.330 1.00 33.22 H new ATOM 507 N GLY A 31 -1.018 11.556 -1.615 1.00 62.43 N ATOM 508 CA GLY A 31 -1.310 11.913 -2.991 1.00 53.40 C ATOM 509 C GLY A 31 -0.920 13.342 -3.314 1.00 65.22 C ATOM 510 O GLY A 31 0.232 13.736 -3.128 1.00 51.03 O ATOM 0 H GLY A 31 -1.177 12.300 -0.936 1.00 62.43 H new ATOM 0 HA2 GLY A 31 -0.780 11.235 -3.660 1.00 53.40 H new ATOM 0 HA3 GLY A 31 -2.375 11.779 -3.180 1.00 53.40 H new ATOM 514 N LYS A 32 -1.880 14.120 -3.802 1.00 3.35 N ATOM 515 CA LYS A 32 -1.631 15.514 -4.152 1.00 73.44 C ATOM 516 C LYS A 32 -1.640 16.398 -2.909 1.00 72.34 C ATOM 517 O LYS A 32 -2.491 16.243 -2.033 1.00 22.04 O ATOM 518 CB LYS A 32 -2.684 16.005 -5.149 1.00 2.54 C ATOM 519 CG LYS A 32 -3.083 14.961 -6.177 1.00 1.31 C ATOM 520 CD LYS A 32 -1.869 14.379 -6.881 1.00 4.22 C ATOM 521 CE LYS A 32 -1.075 15.456 -7.604 1.00 65.15 C ATOM 522 NZ LYS A 32 -1.956 16.354 -8.401 1.00 63.00 N ATOM 0 H LYS A 32 -2.838 13.809 -3.964 1.00 3.35 H new ATOM 0 HA LYS A 32 -0.645 15.577 -4.612 1.00 73.44 H new ATOM 0 HB2 LYS A 32 -3.572 16.321 -4.601 1.00 2.54 H new ATOM 0 HB3 LYS A 32 -2.300 16.884 -5.667 1.00 2.54 H new ATOM 0 HG2 LYS A 32 -3.639 14.161 -5.688 1.00 1.31 H new ATOM 0 HG3 LYS A 32 -3.751 15.410 -6.912 1.00 1.31 H new ATOM 0 HD2 LYS A 32 -1.229 13.881 -6.153 1.00 4.22 H new ATOM 0 HD3 LYS A 32 -2.190 13.621 -7.595 1.00 4.22 H new ATOM 0 HE2 LYS A 32 -0.518 16.046 -6.877 1.00 65.15 H new ATOM 0 HE3 LYS A 32 -0.343 14.988 -8.262 1.00 65.15 H new ATOM 0 HZ1 LYS A 32 -1.409 16.776 -9.179 1.00 63.00 H new ATOM 0 HZ2 LYS A 32 -2.748 15.805 -8.792 1.00 63.00 H new ATOM 0 HZ3 LYS A 32 -2.327 17.109 -7.789 1.00 63.00 H new ATOM 536 N ILE A 33 -0.690 17.324 -2.841 1.00 53.33 N ATOM 537 CA ILE A 33 -0.591 18.234 -1.707 1.00 15.12 C ATOM 538 C ILE A 33 -1.289 19.558 -2.001 1.00 64.14 C ATOM 539 O ILE A 33 -1.270 20.041 -3.133 1.00 10.40 O ATOM 540 CB ILE A 33 0.877 18.512 -1.334 1.00 71.22 C ATOM 541 CG1 ILE A 33 1.733 17.269 -1.585 1.00 23.12 C ATOM 542 CG2 ILE A 33 0.981 18.949 0.119 1.00 11.22 C ATOM 543 CD1 ILE A 33 3.181 17.441 -1.181 1.00 51.11 C ATOM 0 H ILE A 33 0.022 17.464 -3.558 1.00 53.33 H new ATOM 0 HA ILE A 33 -1.084 17.745 -0.867 1.00 15.12 H new ATOM 0 HB ILE A 33 1.250 19.320 -1.963 1.00 71.22 H new ATOM 0 HG12 ILE A 33 1.308 16.428 -1.036 1.00 23.12 H new ATOM 0 HG13 ILE A 33 1.687 17.014 -2.644 1.00 23.12 H new ATOM 0 HG21 ILE A 33 2.025 19.142 0.367 1.00 11.22 H new ATOM 0 HG22 ILE A 33 0.399 19.858 0.268 1.00 11.22 H new ATOM 0 HG23 ILE A 33 0.594 18.161 0.765 1.00 11.22 H new ATOM 0 HD11 ILE A 33 3.728 16.521 -1.387 1.00 51.11 H new ATOM 0 HD12 ILE A 33 3.622 18.260 -1.748 1.00 51.11 H new ATOM 0 HD13 ILE A 33 3.237 17.666 -0.116 1.00 51.11 H new ATOM 555 N GLN A 34 -1.901 20.139 -0.975 1.00 10.20 N ATOM 556 CA GLN A 34 -2.603 21.408 -1.124 1.00 53.32 C ATOM 557 C GLN A 34 -2.514 22.234 0.155 1.00 21.43 C ATOM 558 O GLN A 34 -2.616 21.699 1.260 1.00 42.14 O ATOM 559 CB GLN A 34 -4.069 21.165 -1.487 1.00 33.45 C ATOM 560 CG GLN A 34 -4.257 20.461 -2.821 1.00 13.10 C ATOM 561 CD GLN A 34 -4.327 18.953 -2.681 1.00 52.20 C ATOM 562 OE1 GLN A 34 -3.904 18.392 -1.670 1.00 72.20 O ATOM 563 NE2 GLN A 34 -4.863 18.288 -3.698 1.00 12.32 N ATOM 0 H GLN A 34 -1.925 19.752 -0.032 1.00 10.20 H new ATOM 0 HA GLN A 34 -2.124 21.966 -1.929 1.00 53.32 H new ATOM 0 HB2 GLN A 34 -4.535 20.569 -0.702 1.00 33.45 H new ATOM 0 HB3 GLN A 34 -4.591 22.121 -1.514 1.00 33.45 H new ATOM 0 HG2 GLN A 34 -5.172 20.821 -3.292 1.00 13.10 H new ATOM 0 HG3 GLN A 34 -3.433 20.722 -3.485 1.00 13.10 H new ATOM 0 HE21 GLN A 34 -5.201 18.794 -4.517 1.00 12.32 H new ATOM 0 HE22 GLN A 34 -4.937 17.271 -3.660 1.00 12.32 H new ATOM 572 N VAL A 35 -2.322 23.540 -0.001 1.00 33.30 N ATOM 573 CA VAL A 35 -2.220 24.439 1.142 1.00 43.43 C ATOM 574 C VAL A 35 -2.625 25.859 0.762 1.00 53.05 C ATOM 575 O VAL A 35 -2.486 26.269 -0.391 1.00 41.52 O ATOM 576 CB VAL A 35 -0.789 24.461 1.712 1.00 12.33 C ATOM 577 CG1 VAL A 35 -0.513 23.196 2.510 1.00 11.23 C ATOM 578 CG2 VAL A 35 0.228 24.628 0.593 1.00 13.43 C ATOM 0 H VAL A 35 -2.234 23.999 -0.908 1.00 33.30 H new ATOM 0 HA VAL A 35 -2.902 24.061 1.904 1.00 43.43 H new ATOM 0 HB VAL A 35 -0.698 25.314 2.385 1.00 12.33 H new ATOM 0 HG11 VAL A 35 0.502 23.229 2.905 1.00 11.23 H new ATOM 0 HG12 VAL A 35 -1.221 23.125 3.335 1.00 11.23 H new ATOM 0 HG13 VAL A 35 -0.622 22.326 1.862 1.00 11.23 H new ATOM 0 HG21 VAL A 35 1.233 24.641 1.014 1.00 13.43 H new ATOM 0 HG22 VAL A 35 0.139 23.797 -0.107 1.00 13.43 H new ATOM 0 HG23 VAL A 35 0.042 25.565 0.069 1.00 13.43 H new ATOM 588 N THR A 36 -3.128 26.607 1.739 1.00 72.11 N ATOM 589 CA THR A 36 -3.555 27.981 1.507 1.00 0.14 C ATOM 590 C THR A 36 -2.378 28.945 1.600 1.00 41.33 C ATOM 591 O THR A 36 -1.370 28.651 2.242 1.00 21.43 O ATOM 592 CB THR A 36 -4.636 28.411 2.517 1.00 75.05 C ATOM 593 OG1 THR A 36 -4.176 28.186 3.854 1.00 50.04 O ATOM 594 CG2 THR A 36 -5.929 27.644 2.284 1.00 32.51 C ATOM 0 H THR A 36 -3.250 26.284 2.699 1.00 72.11 H new ATOM 0 HA THR A 36 -3.973 28.017 0.501 1.00 0.14 H new ATOM 0 HB THR A 36 -4.832 29.474 2.376 1.00 75.05 H new ATOM 0 HG1 THR A 36 -4.869 28.464 4.489 1.00 50.04 H new ATOM 0 HG21 THR A 36 -6.678 27.964 3.009 1.00 32.51 H new ATOM 0 HG22 THR A 36 -6.292 27.841 1.276 1.00 32.51 H new ATOM 0 HG23 THR A 36 -5.745 26.576 2.401 1.00 32.51 H new ATOM 602 N PHE A 37 -2.512 30.099 0.954 1.00 13.13 N ATOM 603 CA PHE A 37 -1.459 31.107 0.964 1.00 41.55 C ATOM 604 C PHE A 37 -1.063 31.468 2.393 1.00 72.54 C ATOM 605 O PHE A 37 0.119 31.509 2.729 1.00 4.22 O ATOM 606 CB PHE A 37 -1.918 32.362 0.218 1.00 51.20 C ATOM 607 CG PHE A 37 -1.090 33.578 0.523 1.00 62.51 C ATOM 608 CD1 PHE A 37 0.294 33.512 0.504 1.00 70.30 C ATOM 609 CD2 PHE A 37 -1.695 34.786 0.829 1.00 72.30 C ATOM 610 CE1 PHE A 37 1.059 34.628 0.784 1.00 42.33 C ATOM 611 CE2 PHE A 37 -0.935 35.906 1.109 1.00 33.41 C ATOM 612 CZ PHE A 37 0.444 35.827 1.088 1.00 74.53 C ATOM 0 H PHE A 37 -3.339 30.359 0.417 1.00 13.13 H new ATOM 0 HA PHE A 37 -0.588 30.690 0.459 1.00 41.55 H new ATOM 0 HB2 PHE A 37 -1.885 32.170 -0.854 1.00 51.20 H new ATOM 0 HB3 PHE A 37 -2.958 32.567 0.473 1.00 51.20 H new ATOM 0 HD1 PHE A 37 0.780 32.577 0.268 1.00 70.30 H new ATOM 0 HD2 PHE A 37 -2.773 34.853 0.849 1.00 72.30 H new ATOM 0 HE1 PHE A 37 2.137 34.563 0.765 1.00 42.33 H new ATOM 0 HE2 PHE A 37 -1.419 36.842 1.344 1.00 33.41 H new ATOM 0 HZ PHE A 37 1.040 36.700 1.309 1.00 74.53 H new ATOM 622 N GLY A 38 -2.063 31.728 3.230 1.00 70.14 N ATOM 623 CA GLY A 38 -1.800 32.082 4.612 1.00 30.21 C ATOM 624 C GLY A 38 -0.880 31.092 5.299 1.00 42.30 C ATOM 625 O GLY A 38 0.079 31.485 5.963 1.00 33.02 O ATOM 0 H GLY A 38 -3.050 31.700 2.975 1.00 70.14 H new ATOM 0 HA2 GLY A 38 -1.353 33.076 4.651 1.00 30.21 H new ATOM 0 HA3 GLY A 38 -2.743 32.135 5.156 1.00 30.21 H new ATOM 629 N GLU A 39 -1.173 29.805 5.140 1.00 3.31 N ATOM 630 CA GLU A 39 -0.365 28.757 5.753 1.00 41.41 C ATOM 631 C GLU A 39 1.038 28.731 5.153 1.00 71.21 C ATOM 632 O GLU A 39 2.035 28.741 5.876 1.00 62.41 O ATOM 633 CB GLU A 39 -1.035 27.394 5.571 1.00 31.02 C ATOM 634 CG GLU A 39 -1.843 26.947 6.778 1.00 55.51 C ATOM 635 CD GLU A 39 -2.425 25.557 6.608 1.00 12.44 C ATOM 636 OE1 GLU A 39 -1.959 24.825 5.711 1.00 45.13 O ATOM 637 OE2 GLU A 39 -3.347 25.202 7.373 1.00 65.05 O ATOM 0 H GLU A 39 -1.963 29.463 4.593 1.00 3.31 H new ATOM 0 HA GLU A 39 -0.282 28.973 6.818 1.00 41.41 H new ATOM 0 HB2 GLU A 39 -1.690 27.434 4.700 1.00 31.02 H new ATOM 0 HB3 GLU A 39 -0.269 26.647 5.360 1.00 31.02 H new ATOM 0 HG2 GLU A 39 -1.207 26.965 7.663 1.00 55.51 H new ATOM 0 HG3 GLU A 39 -2.652 27.657 6.952 1.00 55.51 H new ATOM 644 N LEU A 40 1.107 28.697 3.827 1.00 70.43 N ATOM 645 CA LEU A 40 2.387 28.668 3.128 1.00 41.03 C ATOM 646 C LEU A 40 3.278 29.822 3.576 1.00 50.35 C ATOM 647 O LEU A 40 4.433 29.620 3.950 1.00 62.40 O ATOM 648 CB LEU A 40 2.166 28.736 1.616 1.00 65.05 C ATOM 649 CG LEU A 40 2.642 27.524 0.813 1.00 53.52 C ATOM 650 CD1 LEU A 40 2.395 27.738 -0.673 1.00 2.34 C ATOM 651 CD2 LEU A 40 4.116 27.254 1.077 1.00 12.42 C ATOM 0 H LEU A 40 0.292 28.689 3.214 1.00 70.43 H new ATOM 0 HA LEU A 40 2.887 27.731 3.374 1.00 41.03 H new ATOM 0 HB2 LEU A 40 1.101 28.874 1.430 1.00 65.05 H new ATOM 0 HB3 LEU A 40 2.674 29.622 1.234 1.00 65.05 H new ATOM 0 HG LEU A 40 2.071 26.653 1.134 1.00 53.52 H new ATOM 0 HD11 LEU A 40 2.740 26.866 -1.228 1.00 2.34 H new ATOM 0 HD12 LEU A 40 1.329 27.881 -0.848 1.00 2.34 H new ATOM 0 HD13 LEU A 40 2.939 28.621 -1.009 1.00 2.34 H new ATOM 0 HD21 LEU A 40 4.437 26.388 0.497 1.00 12.42 H new ATOM 0 HD22 LEU A 40 4.703 28.124 0.785 1.00 12.42 H new ATOM 0 HD23 LEU A 40 4.265 27.055 2.138 1.00 12.42 H new ATOM 663 N PHE A 41 2.733 31.034 3.536 1.00 34.53 N ATOM 664 CA PHE A 41 3.477 32.221 3.939 1.00 24.32 C ATOM 665 C PHE A 41 3.946 32.103 5.387 1.00 42.45 C ATOM 666 O PHE A 41 5.125 32.295 5.686 1.00 12.40 O ATOM 667 CB PHE A 41 2.613 33.472 3.771 1.00 3.21 C ATOM 668 CG PHE A 41 3.403 34.750 3.764 1.00 23.34 C ATOM 669 CD1 PHE A 41 4.007 35.200 2.602 1.00 64.04 C ATOM 670 CD2 PHE A 41 3.541 35.500 4.921 1.00 44.44 C ATOM 671 CE1 PHE A 41 4.736 36.375 2.593 1.00 34.40 C ATOM 672 CE2 PHE A 41 4.268 36.676 4.918 1.00 0.31 C ATOM 673 CZ PHE A 41 4.865 37.114 3.752 1.00 10.33 C ATOM 0 H PHE A 41 1.778 31.219 3.228 1.00 34.53 H new ATOM 0 HA PHE A 41 4.354 32.305 3.297 1.00 24.32 H new ATOM 0 HB2 PHE A 41 2.054 33.395 2.839 1.00 3.21 H new ATOM 0 HB3 PHE A 41 1.882 33.510 4.579 1.00 3.21 H new ATOM 0 HD1 PHE A 41 3.908 34.627 1.692 1.00 64.04 H new ATOM 0 HD2 PHE A 41 3.076 35.162 5.835 1.00 44.44 H new ATOM 0 HE1 PHE A 41 5.204 36.714 1.681 1.00 34.40 H new ATOM 0 HE2 PHE A 41 4.369 37.251 5.826 1.00 0.31 H new ATOM 0 HZ PHE A 41 5.432 38.033 3.747 1.00 10.33 H new ATOM 683 N ASP A 42 3.015 31.788 6.280 1.00 61.42 N ATOM 684 CA ASP A 42 3.332 31.644 7.696 1.00 33.11 C ATOM 685 C ASP A 42 4.407 30.583 7.908 1.00 45.25 C ATOM 686 O ASP A 42 5.054 30.540 8.955 1.00 54.44 O ATOM 687 CB ASP A 42 2.075 31.278 8.487 1.00 52.00 C ATOM 688 CG ASP A 42 1.497 32.462 9.237 1.00 42.54 C ATOM 689 OD1 ASP A 42 1.008 33.402 8.575 1.00 1.53 O ATOM 690 OD2 ASP A 42 1.534 32.449 10.485 1.00 55.14 O ATOM 0 H ASP A 42 2.035 31.627 6.049 1.00 61.42 H new ATOM 0 HA ASP A 42 3.714 32.599 8.056 1.00 33.11 H new ATOM 0 HB2 ASP A 42 1.323 30.881 7.805 1.00 52.00 H new ATOM 0 HB3 ASP A 42 2.313 30.484 9.195 1.00 52.00 H new ATOM 695 N ARG A 43 4.593 29.728 6.907 1.00 42.40 N ATOM 696 CA ARG A 43 5.589 28.666 6.984 1.00 11.25 C ATOM 697 C ARG A 43 6.904 29.106 6.348 1.00 1.41 C ATOM 698 O ARG A 43 7.983 28.724 6.801 1.00 2.43 O ATOM 699 CB ARG A 43 5.073 27.403 6.293 1.00 50.02 C ATOM 700 CG ARG A 43 6.151 26.361 6.046 1.00 60.54 C ATOM 701 CD ARG A 43 6.834 25.948 7.340 1.00 63.11 C ATOM 702 NE ARG A 43 7.950 25.036 7.103 1.00 3.12 N ATOM 703 CZ ARG A 43 8.510 24.297 8.054 1.00 33.35 C ATOM 704 NH1 ARG A 43 8.059 24.361 9.300 1.00 60.02 N ATOM 705 NH2 ARG A 43 9.522 23.491 7.761 1.00 72.52 N ATOM 0 H ARG A 43 4.067 29.750 6.033 1.00 42.40 H new ATOM 0 HA ARG A 43 5.770 28.448 8.036 1.00 11.25 H new ATOM 0 HB2 ARG A 43 4.285 26.961 6.903 1.00 50.02 H new ATOM 0 HB3 ARG A 43 4.621 27.679 5.340 1.00 50.02 H new ATOM 0 HG2 ARG A 43 5.710 25.485 5.571 1.00 60.54 H new ATOM 0 HG3 ARG A 43 6.892 26.760 5.353 1.00 60.54 H new ATOM 0 HD2 ARG A 43 7.195 26.836 7.859 1.00 63.11 H new ATOM 0 HD3 ARG A 43 6.108 25.469 7.996 1.00 63.11 H new ATOM 0 HE ARG A 43 8.320 24.963 6.155 1.00 3.12 H new ATOM 0 HH11 ARG A 43 7.280 24.979 9.529 1.00 60.02 H new ATOM 0 HH12 ARG A 43 8.491 23.792 10.028 1.00 60.02 H new ATOM 0 HH21 ARG A 43 9.871 23.438 6.804 1.00 72.52 H new ATOM 0 HH22 ARG A 43 9.951 22.924 8.493 1.00 72.52 H new ATOM 719 N TYR A 44 6.806 29.911 5.296 1.00 72.13 N ATOM 720 CA TYR A 44 7.987 30.401 4.595 1.00 30.41 C ATOM 721 C TYR A 44 8.632 31.555 5.356 1.00 63.20 C ATOM 722 O TYR A 44 9.833 31.799 5.236 1.00 30.22 O ATOM 723 CB TYR A 44 7.617 30.851 3.181 1.00 52.11 C ATOM 724 CG TYR A 44 8.125 29.926 2.098 1.00 32.13 C ATOM 725 CD1 TYR A 44 7.362 28.848 1.664 1.00 5.41 C ATOM 726 CD2 TYR A 44 9.367 30.128 1.510 1.00 2.53 C ATOM 727 CE1 TYR A 44 7.823 28.000 0.676 1.00 73.13 C ATOM 728 CE2 TYR A 44 9.835 29.286 0.520 1.00 12.13 C ATOM 729 CZ TYR A 44 9.059 28.223 0.107 1.00 41.34 C ATOM 730 OH TYR A 44 9.522 27.381 -0.878 1.00 51.03 O ATOM 0 H TYR A 44 5.921 30.238 4.910 1.00 72.13 H new ATOM 0 HA TYR A 44 8.706 29.584 4.532 1.00 30.41 H new ATOM 0 HB2 TYR A 44 6.532 30.925 3.105 1.00 52.11 H new ATOM 0 HB3 TYR A 44 8.017 31.850 3.011 1.00 52.11 H new ATOM 0 HD1 TYR A 44 6.393 28.671 2.107 1.00 5.41 H new ATOM 0 HD2 TYR A 44 9.978 30.958 1.833 1.00 2.53 H new ATOM 0 HE1 TYR A 44 7.218 27.166 0.351 1.00 73.13 H new ATOM 0 HE2 TYR A 44 10.802 29.459 0.072 1.00 12.13 H new ATOM 0 HH TYR A 44 10.408 27.678 -1.173 1.00 51.03 H new ATOM 740 N VAL A 45 7.825 32.262 6.140 1.00 3.44 N ATOM 741 CA VAL A 45 8.316 33.390 6.923 1.00 10.23 C ATOM 742 C VAL A 45 9.464 32.969 7.833 1.00 5.33 C ATOM 743 O VAL A 45 10.329 33.777 8.173 1.00 13.53 O ATOM 744 CB VAL A 45 7.196 34.008 7.781 1.00 34.31 C ATOM 745 CG1 VAL A 45 6.135 34.645 6.896 1.00 32.44 C ATOM 746 CG2 VAL A 45 6.581 32.955 8.691 1.00 12.35 C ATOM 0 H VAL A 45 6.829 32.074 6.250 1.00 3.44 H new ATOM 0 HA VAL A 45 8.673 34.136 6.213 1.00 10.23 H new ATOM 0 HB VAL A 45 7.629 34.788 8.407 1.00 34.31 H new ATOM 0 HG11 VAL A 45 5.352 35.076 7.520 1.00 32.44 H new ATOM 0 HG12 VAL A 45 6.589 35.429 6.290 1.00 32.44 H new ATOM 0 HG13 VAL A 45 5.702 33.887 6.243 1.00 32.44 H new ATOM 0 HG21 VAL A 45 5.791 33.408 9.290 1.00 12.35 H new ATOM 0 HG22 VAL A 45 6.161 32.151 8.086 1.00 12.35 H new ATOM 0 HG23 VAL A 45 7.349 32.550 9.350 1.00 12.35 H new ATOM 756 N ARG A 46 9.467 31.699 8.224 1.00 5.11 N ATOM 757 CA ARG A 46 10.510 31.170 9.096 1.00 53.43 C ATOM 758 C ARG A 46 11.674 30.619 8.278 1.00 21.21 C ATOM 759 O ARG A 46 12.559 29.951 8.813 1.00 22.41 O ATOM 760 CB ARG A 46 9.942 30.074 9.998 1.00 34.42 C ATOM 761 CG ARG A 46 8.849 30.561 10.935 1.00 11.34 C ATOM 762 CD ARG A 46 8.961 29.914 12.307 1.00 44.11 C ATOM 763 NE ARG A 46 7.686 29.912 13.018 1.00 55.15 N ATOM 764 CZ ARG A 46 6.702 29.057 12.760 1.00 24.44 C ATOM 765 NH1 ARG A 46 6.848 28.139 11.815 1.00 62.22 N ATOM 766 NH2 ARG A 46 5.571 29.118 13.450 1.00 34.13 N ATOM 0 H ARG A 46 8.759 31.017 7.951 1.00 5.11 H new ATOM 0 HA ARG A 46 10.879 31.986 9.717 1.00 53.43 H new ATOM 0 HB2 ARG A 46 9.544 29.273 9.375 1.00 34.42 H new ATOM 0 HB3 ARG A 46 10.752 29.646 10.589 1.00 34.42 H new ATOM 0 HG2 ARG A 46 8.912 31.644 11.036 1.00 11.34 H new ATOM 0 HG3 ARG A 46 7.873 30.337 10.505 1.00 11.34 H new ATOM 0 HD2 ARG A 46 9.316 28.889 12.196 1.00 44.11 H new ATOM 0 HD3 ARG A 46 9.705 30.447 12.899 1.00 44.11 H new ATOM 0 HE ARG A 46 7.543 30.605 13.753 1.00 55.15 H new ATOM 0 HH11 ARG A 46 7.717 28.088 11.284 1.00 62.22 H new ATOM 0 HH12 ARG A 46 6.091 27.484 11.619 1.00 62.22 H new ATOM 0 HH21 ARG A 46 5.456 29.822 14.179 1.00 34.13 H new ATOM 0 HH22 ARG A 46 4.816 28.461 13.251 1.00 34.13 H new ATOM 780 N ILE A 47 11.666 30.903 6.980 1.00 32.22 N ATOM 781 CA ILE A 47 12.721 30.436 6.090 1.00 60.23 C ATOM 782 C ILE A 47 13.242 31.569 5.212 1.00 14.13 C ATOM 783 O ILE A 47 14.361 32.047 5.397 1.00 14.43 O ATOM 784 CB ILE A 47 12.230 29.288 5.188 1.00 31.32 C ATOM 785 CG1 ILE A 47 11.760 28.107 6.040 1.00 70.31 C ATOM 786 CG2 ILE A 47 13.333 28.854 4.234 1.00 10.24 C ATOM 787 CD1 ILE A 47 10.876 27.135 5.290 1.00 64.41 C ATOM 0 H ILE A 47 10.940 31.454 6.522 1.00 32.22 H new ATOM 0 HA ILE A 47 13.528 30.070 6.724 1.00 60.23 H new ATOM 0 HB ILE A 47 11.386 29.645 4.598 1.00 31.32 H new ATOM 0 HG12 ILE A 47 12.632 27.574 6.420 1.00 70.31 H new ATOM 0 HG13 ILE A 47 11.216 28.487 6.905 1.00 70.31 H new ATOM 0 HG21 ILE A 47 12.970 28.042 3.604 1.00 10.24 H new ATOM 0 HG22 ILE A 47 13.625 29.697 3.608 1.00 10.24 H new ATOM 0 HG23 ILE A 47 14.195 28.511 4.806 1.00 10.24 H new ATOM 0 HD11 ILE A 47 10.581 26.324 5.955 1.00 64.41 H new ATOM 0 HD12 ILE A 47 9.986 27.654 4.933 1.00 64.41 H new ATOM 0 HD13 ILE A 47 11.423 26.726 4.441 1.00 64.41 H new ATOM 799 N SER A 48 12.421 31.996 4.257 1.00 21.54 N ATOM 800 CA SER A 48 12.799 33.072 3.349 1.00 1.03 C ATOM 801 C SER A 48 11.759 34.188 3.367 1.00 71.02 C ATOM 802 O SER A 48 12.091 35.363 3.213 1.00 51.50 O ATOM 803 CB SER A 48 12.962 32.534 1.927 1.00 63.25 C ATOM 804 OG SER A 48 14.068 33.137 1.277 1.00 60.21 O ATOM 0 H SER A 48 11.490 31.613 4.093 1.00 21.54 H new ATOM 0 HA SER A 48 13.751 33.481 3.686 1.00 1.03 H new ATOM 0 HB2 SER A 48 13.099 31.453 1.957 1.00 63.25 H new ATOM 0 HB3 SER A 48 12.053 32.724 1.356 1.00 63.25 H new ATOM 0 HG SER A 48 14.260 32.656 0.445 1.00 60.21 H new ATOM 810 N ASP A 49 10.499 33.811 3.555 1.00 22.23 N ATOM 811 CA ASP A 49 9.409 34.778 3.594 1.00 10.53 C ATOM 812 C ASP A 49 9.181 35.396 2.218 1.00 4.43 C ATOM 813 O ASP A 49 9.364 36.599 2.028 1.00 63.15 O ATOM 814 CB ASP A 49 9.709 35.876 4.617 1.00 60.14 C ATOM 815 CG ASP A 49 8.463 36.627 5.042 1.00 11.20 C ATOM 816 OD1 ASP A 49 7.735 37.118 4.155 1.00 52.54 O ATOM 817 OD2 ASP A 49 8.216 36.725 6.263 1.00 61.44 O ATOM 0 H ASP A 49 10.207 32.842 3.683 1.00 22.23 H new ATOM 0 HA ASP A 49 8.501 34.253 3.891 1.00 10.53 H new ATOM 0 HB2 ASP A 49 10.179 35.432 5.495 1.00 60.14 H new ATOM 0 HB3 ASP A 49 10.426 36.578 4.192 1.00 60.14 H new ATOM 822 N LYS A 50 8.782 34.566 1.261 1.00 22.21 N ATOM 823 CA LYS A 50 8.529 35.029 -0.098 1.00 60.11 C ATOM 824 C LYS A 50 7.967 33.903 -0.961 1.00 5.32 C ATOM 825 O LYS A 50 8.294 33.792 -2.143 1.00 34.44 O ATOM 826 CB LYS A 50 9.817 35.570 -0.723 1.00 0.45 C ATOM 827 CG LYS A 50 10.853 34.497 -1.007 1.00 23.23 C ATOM 828 CD LYS A 50 12.152 34.766 -0.266 1.00 23.44 C ATOM 829 CE LYS A 50 12.767 36.093 -0.681 1.00 54.52 C ATOM 830 NZ LYS A 50 14.249 36.007 -0.796 1.00 12.22 N ATOM 0 H LYS A 50 8.627 33.568 1.402 1.00 22.21 H new ATOM 0 HA LYS A 50 7.791 35.830 -0.050 1.00 60.11 H new ATOM 0 HB2 LYS A 50 9.572 36.082 -1.654 1.00 0.45 H new ATOM 0 HB3 LYS A 50 10.251 36.314 -0.055 1.00 0.45 H new ATOM 0 HG2 LYS A 50 10.460 33.524 -0.713 1.00 23.23 H new ATOM 0 HG3 LYS A 50 11.047 34.452 -2.079 1.00 23.23 H new ATOM 0 HD2 LYS A 50 11.965 34.771 0.808 1.00 23.44 H new ATOM 0 HD3 LYS A 50 12.858 33.959 -0.463 1.00 23.44 H new ATOM 0 HE2 LYS A 50 12.346 36.405 -1.637 1.00 54.52 H new ATOM 0 HE3 LYS A 50 12.503 36.859 0.048 1.00 54.52 H new ATOM 0 HZ1 LYS A 50 14.629 36.932 -1.081 1.00 12.22 H new ATOM 0 HZ2 LYS A 50 14.653 35.734 0.123 1.00 12.22 H new ATOM 0 HZ3 LYS A 50 14.501 35.294 -1.510 1.00 12.22 H new ATOM 844 N VAL A 51 7.120 33.072 -0.363 1.00 24.44 N ATOM 845 CA VAL A 51 6.511 31.956 -1.077 1.00 43.22 C ATOM 846 C VAL A 51 5.819 32.431 -2.350 1.00 13.14 C ATOM 847 O VAL A 51 5.972 31.831 -3.414 1.00 10.43 O ATOM 848 CB VAL A 51 5.489 31.216 -0.195 1.00 33.30 C ATOM 849 CG1 VAL A 51 4.467 32.190 0.371 1.00 0.11 C ATOM 850 CG2 VAL A 51 4.803 30.112 -0.986 1.00 64.12 C ATOM 0 H VAL A 51 6.840 33.150 0.615 1.00 24.44 H new ATOM 0 HA VAL A 51 7.316 31.270 -1.339 1.00 43.22 H new ATOM 0 HB VAL A 51 6.020 30.758 0.639 1.00 33.30 H new ATOM 0 HG11 VAL A 51 3.753 31.648 0.992 1.00 0.11 H new ATOM 0 HG12 VAL A 51 4.976 32.941 0.975 1.00 0.11 H new ATOM 0 HG13 VAL A 51 3.939 32.679 -0.447 1.00 0.11 H new ATOM 0 HG21 VAL A 51 4.084 29.599 -0.347 1.00 64.12 H new ATOM 0 HG22 VAL A 51 4.284 30.546 -1.841 1.00 64.12 H new ATOM 0 HG23 VAL A 51 5.549 29.399 -1.338 1.00 64.12 H new ATOM 860 N VAL A 52 5.056 33.513 -2.233 1.00 13.42 N ATOM 861 CA VAL A 52 4.340 34.071 -3.374 1.00 70.12 C ATOM 862 C VAL A 52 5.288 34.346 -4.536 1.00 72.02 C ATOM 863 O VAL A 52 4.928 34.171 -5.699 1.00 71.54 O ATOM 864 CB VAL A 52 3.614 35.376 -2.998 1.00 50.32 C ATOM 865 CG1 VAL A 52 3.072 36.063 -4.242 1.00 40.43 C ATOM 866 CG2 VAL A 52 2.497 35.097 -2.004 1.00 71.21 C ATOM 0 H VAL A 52 4.918 34.021 -1.359 1.00 13.42 H new ATOM 0 HA VAL A 52 3.602 33.329 -3.678 1.00 70.12 H new ATOM 0 HB VAL A 52 4.331 36.047 -2.525 1.00 50.32 H new ATOM 0 HG11 VAL A 52 2.562 36.983 -3.957 1.00 40.43 H new ATOM 0 HG12 VAL A 52 3.896 36.298 -4.916 1.00 40.43 H new ATOM 0 HG13 VAL A 52 2.369 35.400 -4.746 1.00 40.43 H new ATOM 0 HG21 VAL A 52 1.995 36.030 -1.750 1.00 71.21 H new ATOM 0 HG22 VAL A 52 1.779 34.408 -2.448 1.00 71.21 H new ATOM 0 HG23 VAL A 52 2.916 34.653 -1.101 1.00 71.21 H new ATOM 876 N GLY A 53 6.503 34.778 -4.212 1.00 52.33 N ATOM 877 CA GLY A 53 7.485 35.071 -5.240 1.00 74.52 C ATOM 878 C GLY A 53 8.008 33.818 -5.915 1.00 2.13 C ATOM 879 O GLY A 53 8.356 33.840 -7.096 1.00 11.52 O ATOM 0 H GLY A 53 6.825 34.930 -3.256 1.00 52.33 H new ATOM 0 HA2 GLY A 53 7.038 35.724 -5.989 1.00 74.52 H new ATOM 0 HA3 GLY A 53 8.318 35.617 -4.797 1.00 74.52 H new ATOM 883 N ILE A 54 8.066 32.724 -5.164 1.00 21.45 N ATOM 884 CA ILE A 54 8.552 31.457 -5.696 1.00 72.24 C ATOM 885 C ILE A 54 7.497 30.788 -6.572 1.00 2.24 C ATOM 886 O ILE A 54 7.819 30.166 -7.585 1.00 30.12 O ATOM 887 CB ILE A 54 8.955 30.489 -4.568 1.00 41.12 C ATOM 888 CG1 ILE A 54 10.040 31.118 -3.691 1.00 33.31 C ATOM 889 CG2 ILE A 54 9.436 29.168 -5.150 1.00 44.40 C ATOM 890 CD1 ILE A 54 9.816 30.908 -2.210 1.00 33.33 C ATOM 0 H ILE A 54 7.782 32.689 -4.185 1.00 21.45 H new ATOM 0 HA ILE A 54 9.431 31.685 -6.299 1.00 72.24 H new ATOM 0 HB ILE A 54 8.081 30.293 -3.947 1.00 41.12 H new ATOM 0 HG12 ILE A 54 11.007 30.699 -3.967 1.00 33.31 H new ATOM 0 HG13 ILE A 54 10.086 32.188 -3.895 1.00 33.31 H new ATOM 0 HG21 ILE A 54 9.717 28.495 -4.340 1.00 44.40 H new ATOM 0 HG22 ILE A 54 8.636 28.716 -5.737 1.00 44.40 H new ATOM 0 HG23 ILE A 54 10.300 29.346 -5.791 1.00 44.40 H new ATOM 0 HD11 ILE A 54 10.623 31.380 -1.649 1.00 33.33 H new ATOM 0 HD12 ILE A 54 8.864 31.352 -1.919 1.00 33.33 H new ATOM 0 HD13 ILE A 54 9.800 29.840 -1.992 1.00 33.33 H new ATOM 902 N LEU A 55 6.236 30.922 -6.176 1.00 23.15 N ATOM 903 CA LEU A 55 5.132 30.332 -6.925 1.00 3.31 C ATOM 904 C LEU A 55 5.202 30.726 -8.397 1.00 33.01 C ATOM 905 O LEU A 55 4.786 29.968 -9.273 1.00 21.35 O ATOM 906 CB LEU A 55 3.794 30.773 -6.330 1.00 75.50 C ATOM 907 CG LEU A 55 3.490 30.273 -4.917 1.00 60.42 C ATOM 908 CD1 LEU A 55 2.073 30.648 -4.511 1.00 63.31 C ATOM 909 CD2 LEU A 55 3.691 28.767 -4.830 1.00 32.32 C ATOM 0 H LEU A 55 5.953 31.434 -5.341 1.00 23.15 H new ATOM 0 HA LEU A 55 5.214 29.247 -6.854 1.00 3.31 H new ATOM 0 HB2 LEU A 55 3.764 31.863 -6.322 1.00 75.50 H new ATOM 0 HB3 LEU A 55 2.996 30.437 -6.992 1.00 75.50 H new ATOM 0 HG LEU A 55 4.183 30.753 -4.225 1.00 60.42 H new ATOM 0 HD11 LEU A 55 1.875 30.284 -3.503 1.00 63.31 H new ATOM 0 HD12 LEU A 55 1.963 31.732 -4.533 1.00 63.31 H new ATOM 0 HD13 LEU A 55 1.364 30.197 -5.205 1.00 63.31 H new ATOM 0 HD21 LEU A 55 3.470 28.428 -3.818 1.00 32.32 H new ATOM 0 HD22 LEU A 55 3.023 28.270 -5.533 1.00 32.32 H new ATOM 0 HD23 LEU A 55 4.724 28.523 -5.077 1.00 32.32 H new ATOM 921 N MET A 56 5.731 31.916 -8.662 1.00 25.34 N ATOM 922 CA MET A 56 5.859 32.408 -10.028 1.00 55.43 C ATOM 923 C MET A 56 6.664 31.436 -10.884 1.00 21.00 C ATOM 924 O MET A 56 6.425 31.307 -12.085 1.00 23.43 O ATOM 925 CB MET A 56 6.524 33.786 -10.037 1.00 23.22 C ATOM 926 CG MET A 56 5.641 34.891 -9.481 1.00 41.13 C ATOM 927 SD MET A 56 4.664 35.707 -10.758 1.00 41.32 S ATOM 928 CE MET A 56 5.627 37.194 -11.023 1.00 65.12 C ATOM 0 H MET A 56 6.078 32.557 -7.949 1.00 25.34 H new ATOM 0 HA MET A 56 4.858 32.493 -10.451 1.00 55.43 H new ATOM 0 HB2 MET A 56 7.444 33.740 -9.455 1.00 23.22 H new ATOM 0 HB3 MET A 56 6.806 34.037 -11.059 1.00 23.22 H new ATOM 0 HG2 MET A 56 4.972 34.473 -8.729 1.00 41.13 H new ATOM 0 HG3 MET A 56 6.264 35.630 -8.978 1.00 41.13 H new ATOM 0 HE1 MET A 56 5.149 37.805 -11.789 1.00 65.12 H new ATOM 0 HE2 MET A 56 5.687 37.759 -10.093 1.00 65.12 H new ATOM 0 HE3 MET A 56 6.631 36.924 -11.349 1.00 65.12 H new ATOM 938 N ARG A 57 7.619 30.755 -10.258 1.00 53.04 N ATOM 939 CA ARG A 57 8.460 29.796 -10.964 1.00 22.34 C ATOM 940 C ARG A 57 7.712 28.487 -11.201 1.00 13.41 C ATOM 941 O ARG A 57 7.810 27.890 -12.272 1.00 43.02 O ATOM 942 CB ARG A 57 9.740 29.527 -10.169 1.00 73.13 C ATOM 943 CG ARG A 57 10.566 28.375 -10.717 1.00 60.13 C ATOM 944 CD ARG A 57 11.779 28.095 -9.844 1.00 62.22 C ATOM 945 NE ARG A 57 12.885 27.526 -10.610 1.00 30.21 N ATOM 946 CZ ARG A 57 14.010 27.085 -10.059 1.00 23.22 C ATOM 947 NH1 ARG A 57 14.177 27.147 -8.745 1.00 65.50 N ATOM 948 NH2 ARG A 57 14.971 26.580 -10.822 1.00 41.34 N ATOM 0 H ARG A 57 7.829 30.850 -9.264 1.00 53.04 H new ATOM 0 HA ARG A 57 8.723 30.224 -11.931 1.00 22.34 H new ATOM 0 HB2 ARG A 57 10.350 30.430 -10.163 1.00 73.13 H new ATOM 0 HB3 ARG A 57 9.476 29.313 -9.133 1.00 73.13 H new ATOM 0 HG2 ARG A 57 9.947 27.480 -10.780 1.00 60.13 H new ATOM 0 HG3 ARG A 57 10.892 28.609 -11.730 1.00 60.13 H new ATOM 0 HD2 ARG A 57 12.105 29.020 -9.369 1.00 62.22 H new ATOM 0 HD3 ARG A 57 11.500 27.408 -9.045 1.00 62.22 H new ATOM 0 HE ARG A 57 12.788 27.464 -11.623 1.00 30.21 H new ATOM 0 HH11 ARG A 57 13.440 27.534 -8.155 1.00 65.50 H new ATOM 0 HH12 ARG A 57 15.042 26.808 -8.324 1.00 65.50 H new ATOM 0 HH21 ARG A 57 14.846 26.530 -11.833 1.00 41.34 H new ATOM 0 HH22 ARG A 57 15.835 26.242 -10.397 1.00 41.34 H new ATOM 962 N ALA A 58 6.964 28.048 -10.194 1.00 2.24 N ATOM 963 CA ALA A 58 6.198 26.812 -10.293 1.00 42.11 C ATOM 964 C ALA A 58 5.041 26.961 -11.276 1.00 25.34 C ATOM 965 O ALA A 58 4.656 26.002 -11.945 1.00 32.25 O ATOM 966 CB ALA A 58 5.680 26.401 -8.923 1.00 60.40 C ATOM 0 H ALA A 58 6.872 28.530 -9.300 1.00 2.24 H new ATOM 0 HA ALA A 58 6.860 26.032 -10.667 1.00 42.11 H new ATOM 0 HB1 ALA A 58 5.110 25.476 -9.012 1.00 60.40 H new ATOM 0 HB2 ALA A 58 6.521 26.245 -8.248 1.00 60.40 H new ATOM 0 HB3 ALA A 58 5.037 27.187 -8.526 1.00 60.40 H new ATOM 972 N ARG A 59 4.492 28.168 -11.357 1.00 35.22 N ATOM 973 CA ARG A 59 3.377 28.441 -12.256 1.00 62.24 C ATOM 974 C ARG A 59 3.804 28.287 -13.713 1.00 44.32 C ATOM 975 O ARG A 59 2.990 27.971 -14.581 1.00 12.34 O ATOM 976 CB ARG A 59 2.836 29.852 -12.018 1.00 73.44 C ATOM 977 CG ARG A 59 1.409 30.046 -12.504 1.00 53.23 C ATOM 978 CD ARG A 59 1.357 30.931 -13.740 1.00 72.10 C ATOM 979 NE ARG A 59 0.044 30.902 -14.379 1.00 70.33 N ATOM 980 CZ ARG A 59 -0.317 31.728 -15.355 1.00 21.02 C ATOM 981 NH1 ARG A 59 0.532 32.643 -15.801 1.00 43.21 N ATOM 982 NH2 ARG A 59 -1.530 31.639 -15.886 1.00 45.43 N ATOM 0 H ARG A 59 4.801 28.973 -10.811 1.00 35.22 H new ATOM 0 HA ARG A 59 2.589 27.717 -12.048 1.00 62.24 H new ATOM 0 HB2 ARG A 59 2.881 30.075 -10.952 1.00 73.44 H new ATOM 0 HB3 ARG A 59 3.483 30.570 -12.521 1.00 73.44 H new ATOM 0 HG2 ARG A 59 0.966 29.076 -12.730 1.00 53.23 H new ATOM 0 HG3 ARG A 59 0.811 30.493 -11.710 1.00 53.23 H new ATOM 0 HD2 ARG A 59 1.603 31.956 -13.462 1.00 72.10 H new ATOM 0 HD3 ARG A 59 2.114 30.604 -14.452 1.00 72.10 H new ATOM 0 HE ARG A 59 -0.633 30.210 -14.058 1.00 70.33 H new ATOM 0 HH11 ARG A 59 1.465 32.714 -15.395 1.00 43.21 H new ATOM 0 HH12 ARG A 59 0.252 33.276 -16.550 1.00 43.21 H new ATOM 0 HH21 ARG A 59 -2.186 30.936 -15.545 1.00 45.43 H new ATOM 0 HH22 ARG A 59 -1.807 32.273 -16.635 1.00 45.43 H new ATOM 996 N LYS A 60 5.087 28.514 -13.975 1.00 62.21 N ATOM 997 CA LYS A 60 5.624 28.400 -15.326 1.00 4.51 C ATOM 998 C LYS A 60 5.252 27.059 -15.949 1.00 23.34 C ATOM 999 O LYS A 60 5.038 26.962 -17.158 1.00 24.05 O ATOM 1000 CB LYS A 60 7.146 28.561 -15.307 1.00 1.51 C ATOM 1001 CG LYS A 60 7.609 29.909 -14.781 1.00 13.14 C ATOM 1002 CD LYS A 60 7.810 30.908 -15.907 1.00 40.53 C ATOM 1003 CE LYS A 60 6.615 31.838 -16.048 1.00 14.43 C ATOM 1004 NZ LYS A 60 7.030 33.229 -16.382 1.00 72.24 N ATOM 0 H LYS A 60 5.774 28.778 -13.269 1.00 62.21 H new ATOM 0 HA LYS A 60 5.188 29.195 -15.931 1.00 4.51 H new ATOM 0 HB2 LYS A 60 7.579 27.772 -14.692 1.00 1.51 H new ATOM 0 HB3 LYS A 60 7.530 28.423 -16.318 1.00 1.51 H new ATOM 0 HG2 LYS A 60 6.874 30.297 -14.076 1.00 13.14 H new ATOM 0 HG3 LYS A 60 8.543 29.785 -14.232 1.00 13.14 H new ATOM 0 HD2 LYS A 60 8.709 31.495 -15.718 1.00 40.53 H new ATOM 0 HD3 LYS A 60 7.969 30.374 -16.844 1.00 40.53 H new ATOM 0 HE2 LYS A 60 5.951 31.461 -16.826 1.00 14.43 H new ATOM 0 HE3 LYS A 60 6.047 31.842 -15.118 1.00 14.43 H new ATOM 0 HZ1 LYS A 60 6.187 33.831 -16.469 1.00 72.24 H new ATOM 0 HZ2 LYS A 60 7.643 33.599 -15.628 1.00 72.24 H new ATOM 0 HZ3 LYS A 60 7.550 33.229 -17.282 1.00 72.24 H new ATOM 1018 N HIS A 61 5.175 26.026 -15.116 1.00 24.35 N ATOM 1019 CA HIS A 61 4.827 24.689 -15.585 1.00 13.42 C ATOM 1020 C HIS A 61 3.483 24.246 -15.013 1.00 43.22 C ATOM 1021 O HIS A 61 3.264 23.062 -14.765 1.00 35.52 O ATOM 1022 CB HIS A 61 5.915 23.689 -15.195 1.00 20.21 C ATOM 1023 CG HIS A 61 7.090 23.689 -16.124 1.00 53.30 C ATOM 1024 ND1 HIS A 61 8.097 24.629 -16.063 1.00 70.03 N ATOM 1025 CD2 HIS A 61 7.415 22.856 -17.140 1.00 24.13 C ATOM 1026 CE1 HIS A 61 8.991 24.375 -17.002 1.00 75.35 C ATOM 1027 NE2 HIS A 61 8.601 23.303 -17.669 1.00 53.44 N ATOM 0 H HIS A 61 5.349 26.089 -14.113 1.00 24.35 H new ATOM 0 HA HIS A 61 4.747 24.721 -16.672 1.00 13.42 H new ATOM 0 HB2 HIS A 61 6.260 23.915 -14.186 1.00 20.21 H new ATOM 0 HB3 HIS A 61 5.484 22.688 -15.168 1.00 20.21 H new ATOM 0 HD2 HIS A 61 6.848 21.999 -17.473 1.00 24.13 H new ATOM 0 HE1 HIS A 61 9.888 24.946 -17.192 1.00 75.35 H new ATOM 0 HE2 HIS A 61 9.100 22.877 -18.450 1.00 53.44 H new ATOM 1035 N GLY A 62 2.588 25.207 -14.806 1.00 75.12 N ATOM 1036 CA GLY A 62 1.278 24.896 -14.265 1.00 34.44 C ATOM 1037 C GLY A 62 1.356 24.078 -12.990 1.00 44.15 C ATOM 1038 O GLY A 62 0.960 22.912 -12.967 1.00 3.04 O ATOM 0 H GLY A 62 2.747 26.195 -15.003 1.00 75.12 H new ATOM 0 HA2 GLY A 62 0.741 25.823 -14.066 1.00 34.44 H new ATOM 0 HA3 GLY A 62 0.701 24.348 -15.010 1.00 34.44 H new ATOM 1042 N LEU A 63 1.870 24.689 -11.929 1.00 23.24 N ATOM 1043 CA LEU A 63 2.002 24.009 -10.644 1.00 54.43 C ATOM 1044 C LEU A 63 1.093 24.645 -9.597 1.00 21.13 C ATOM 1045 O LEU A 63 0.679 23.990 -8.640 1.00 11.42 O ATOM 1046 CB LEU A 63 3.455 24.052 -10.169 1.00 31.11 C ATOM 1047 CG LEU A 63 3.763 23.285 -8.883 1.00 20.25 C ATOM 1048 CD1 LEU A 63 3.382 24.111 -7.664 1.00 35.10 C ATOM 1049 CD2 LEU A 63 3.036 21.948 -8.872 1.00 21.03 C ATOM 0 H LEU A 63 2.202 25.653 -11.932 1.00 23.24 H new ATOM 0 HA LEU A 63 1.701 22.970 -10.777 1.00 54.43 H new ATOM 0 HB2 LEU A 63 4.088 23.658 -10.964 1.00 31.11 H new ATOM 0 HB3 LEU A 63 3.738 25.094 -10.023 1.00 31.11 H new ATOM 0 HG LEU A 63 4.835 23.093 -8.845 1.00 20.25 H new ATOM 0 HD11 LEU A 63 3.608 23.549 -6.758 1.00 35.10 H new ATOM 0 HD12 LEU A 63 3.948 25.042 -7.664 1.00 35.10 H new ATOM 0 HD13 LEU A 63 2.316 24.335 -7.695 1.00 35.10 H new ATOM 0 HD21 LEU A 63 3.267 21.416 -7.949 1.00 21.03 H new ATOM 0 HD22 LEU A 63 1.961 22.118 -8.934 1.00 21.03 H new ATOM 0 HD23 LEU A 63 3.359 21.351 -9.725 1.00 21.03 H new ATOM 1061 N VAL A 64 0.785 25.924 -9.785 1.00 41.15 N ATOM 1062 CA VAL A 64 -0.077 26.648 -8.859 1.00 33.41 C ATOM 1063 C VAL A 64 -1.387 27.051 -9.528 1.00 23.33 C ATOM 1064 O VAL A 64 -1.394 27.818 -10.491 1.00 10.55 O ATOM 1065 CB VAL A 64 0.618 27.909 -8.314 1.00 12.40 C ATOM 1066 CG1 VAL A 64 1.671 27.536 -7.282 1.00 60.41 C ATOM 1067 CG2 VAL A 64 1.234 28.711 -9.451 1.00 21.32 C ATOM 0 H VAL A 64 1.120 26.481 -10.571 1.00 41.15 H new ATOM 0 HA VAL A 64 -0.289 25.973 -8.030 1.00 33.41 H new ATOM 0 HB VAL A 64 -0.131 28.532 -7.824 1.00 12.40 H new ATOM 0 HG11 VAL A 64 2.151 28.441 -6.909 1.00 60.41 H new ATOM 0 HG12 VAL A 64 1.198 27.008 -6.454 1.00 60.41 H new ATOM 0 HG13 VAL A 64 2.420 26.892 -7.743 1.00 60.41 H new ATOM 0 HG21 VAL A 64 1.721 29.599 -9.048 1.00 21.32 H new ATOM 0 HG22 VAL A 64 1.970 28.098 -9.971 1.00 21.32 H new ATOM 0 HG23 VAL A 64 0.453 29.011 -10.149 1.00 21.32 H new ATOM 1077 N HIS A 65 -2.494 26.528 -9.011 1.00 13.23 N ATOM 1078 CA HIS A 65 -3.811 26.835 -9.557 1.00 74.43 C ATOM 1079 C HIS A 65 -4.354 28.134 -8.971 1.00 11.43 C ATOM 1080 O HIS A 65 -5.481 28.536 -9.261 1.00 72.44 O ATOM 1081 CB HIS A 65 -4.783 25.689 -9.274 1.00 74.23 C ATOM 1082 CG HIS A 65 -5.755 25.439 -10.387 1.00 1.15 C ATOM 1083 ND1 HIS A 65 -6.537 24.306 -10.462 1.00 54.22 N ATOM 1084 CD2 HIS A 65 -6.070 26.185 -11.471 1.00 43.03 C ATOM 1085 CE1 HIS A 65 -7.290 24.365 -11.546 1.00 51.22 C ATOM 1086 NE2 HIS A 65 -7.026 25.496 -12.176 1.00 22.21 N ATOM 0 H HIS A 65 -2.505 25.890 -8.215 1.00 13.23 H new ATOM 0 HA HIS A 65 -3.710 26.959 -10.635 1.00 74.43 H new ATOM 0 HB2 HIS A 65 -4.214 24.778 -9.088 1.00 74.23 H new ATOM 0 HB3 HIS A 65 -5.337 25.910 -8.362 1.00 74.23 H new ATOM 0 HD2 HIS A 65 -5.648 27.144 -11.733 1.00 43.03 H new ATOM 0 HE1 HIS A 65 -8.001 23.616 -11.863 1.00 51.22 H new ATOM 0 HE2 HIS A 65 -7.461 25.807 -13.045 1.00 22.21 H new ATOM 1094 N PHE A 66 -3.545 28.788 -8.143 1.00 72.41 N ATOM 1095 CA PHE A 66 -3.945 30.041 -7.514 1.00 41.02 C ATOM 1096 C PHE A 66 -4.232 31.109 -8.565 1.00 50.50 C ATOM 1097 O PHE A 66 -3.805 30.995 -9.713 1.00 74.15 O ATOM 1098 CB PHE A 66 -2.853 30.529 -6.560 1.00 65.41 C ATOM 1099 CG PHE A 66 -1.771 31.318 -7.241 1.00 22.24 C ATOM 1100 CD1 PHE A 66 -1.155 30.833 -8.383 1.00 73.31 C ATOM 1101 CD2 PHE A 66 -1.369 32.545 -6.737 1.00 72.32 C ATOM 1102 CE1 PHE A 66 -0.160 31.557 -9.012 1.00 62.30 C ATOM 1103 CE2 PHE A 66 -0.375 33.273 -7.362 1.00 3.30 C ATOM 1104 CZ PHE A 66 0.232 32.778 -8.500 1.00 14.10 C ATOM 0 H PHE A 66 -2.609 28.471 -7.892 1.00 72.41 H new ATOM 0 HA PHE A 66 -4.858 29.859 -6.947 1.00 41.02 H new ATOM 0 HB2 PHE A 66 -3.308 31.145 -5.785 1.00 65.41 H new ATOM 0 HB3 PHE A 66 -2.406 29.669 -6.062 1.00 65.41 H new ATOM 0 HD1 PHE A 66 -1.456 29.878 -8.787 1.00 73.31 H new ATOM 0 HD2 PHE A 66 -1.838 32.936 -5.846 1.00 72.32 H new ATOM 0 HE1 PHE A 66 0.310 31.168 -9.903 1.00 62.30 H new ATOM 0 HE2 PHE A 66 -0.072 34.229 -6.961 1.00 3.30 H new ATOM 0 HZ PHE A 66 1.011 33.345 -8.988 1.00 14.10 H new ATOM 1114 N GLU A 67 -4.959 32.147 -8.162 1.00 44.31 N ATOM 1115 CA GLU A 67 -5.304 33.235 -9.069 1.00 50.43 C ATOM 1116 C GLU A 67 -4.057 33.796 -9.746 1.00 44.21 C ATOM 1117 O GLU A 67 -2.933 33.436 -9.398 1.00 31.10 O ATOM 1118 CB GLU A 67 -6.031 34.349 -8.312 1.00 72.34 C ATOM 1119 CG GLU A 67 -5.354 34.742 -7.010 1.00 52.23 C ATOM 1120 CD GLU A 67 -5.849 36.071 -6.474 1.00 11.41 C ATOM 1121 OE1 GLU A 67 -7.077 36.223 -6.303 1.00 43.14 O ATOM 1122 OE2 GLU A 67 -5.008 36.960 -6.224 1.00 43.14 O ATOM 0 H GLU A 67 -5.320 32.257 -7.214 1.00 44.31 H new ATOM 0 HA GLU A 67 -5.965 32.836 -9.838 1.00 50.43 H new ATOM 0 HB2 GLU A 67 -6.102 35.227 -8.954 1.00 72.34 H new ATOM 0 HB3 GLU A 67 -7.050 34.027 -8.099 1.00 72.34 H new ATOM 0 HG2 GLU A 67 -5.529 33.966 -6.265 1.00 52.23 H new ATOM 0 HG3 GLU A 67 -4.277 34.796 -7.167 1.00 52.23 H new ATOM 1129 N GLY A 68 -4.264 34.681 -10.717 1.00 11.03 N ATOM 1130 CA GLY A 68 -3.148 35.277 -11.428 1.00 14.21 C ATOM 1131 C GLY A 68 -3.032 36.768 -11.179 1.00 30.12 C ATOM 1132 O GLY A 68 -3.000 37.560 -12.120 1.00 74.31 O ATOM 0 H GLY A 68 -5.185 34.996 -11.024 1.00 11.03 H new ATOM 0 HA2 GLY A 68 -2.223 34.788 -11.122 1.00 14.21 H new ATOM 0 HA3 GLY A 68 -3.265 35.098 -12.497 1.00 14.21 H new ATOM 1136 N GLU A 69 -2.970 37.151 -9.907 1.00 62.13 N ATOM 1137 CA GLU A 69 -2.859 38.557 -9.538 1.00 51.24 C ATOM 1138 C GLU A 69 -2.139 38.714 -8.202 1.00 52.11 C ATOM 1139 O GLU A 69 -2.441 39.620 -7.425 1.00 65.14 O ATOM 1140 CB GLU A 69 -4.246 39.198 -9.461 1.00 35.10 C ATOM 1141 CG GLU A 69 -5.014 39.148 -10.772 1.00 2.35 C ATOM 1142 CD GLU A 69 -6.385 39.788 -10.669 1.00 42.14 C ATOM 1143 OE1 GLU A 69 -7.059 39.586 -9.638 1.00 73.44 O ATOM 1144 OE2 GLU A 69 -6.783 40.492 -11.621 1.00 63.24 O ATOM 0 H GLU A 69 -2.995 36.508 -9.116 1.00 62.13 H new ATOM 0 HA GLU A 69 -2.275 39.063 -10.307 1.00 51.24 H new ATOM 0 HB2 GLU A 69 -4.828 38.694 -8.690 1.00 35.10 H new ATOM 0 HB3 GLU A 69 -4.140 40.238 -9.151 1.00 35.10 H new ATOM 0 HG2 GLU A 69 -4.438 39.655 -11.546 1.00 2.35 H new ATOM 0 HG3 GLU A 69 -5.124 38.110 -11.085 1.00 2.35 H new ATOM 1151 N MET A 70 -1.187 37.824 -7.942 1.00 2.52 N ATOM 1152 CA MET A 70 -0.423 37.864 -6.700 1.00 12.20 C ATOM 1153 C MET A 70 -1.336 37.668 -5.494 1.00 13.52 C ATOM 1154 O MET A 70 -2.559 37.767 -5.606 1.00 10.25 O ATOM 1155 CB MET A 70 0.324 39.194 -6.578 1.00 62.51 C ATOM 1156 CG MET A 70 0.849 39.719 -7.904 1.00 45.12 C ATOM 1157 SD MET A 70 1.956 38.555 -8.723 1.00 44.23 S ATOM 1158 CE MET A 70 1.485 38.787 -10.436 1.00 35.25 C ATOM 0 H MET A 70 -0.926 37.067 -8.574 1.00 2.52 H new ATOM 0 HA MET A 70 0.301 37.050 -6.722 1.00 12.20 H new ATOM 0 HB2 MET A 70 -0.343 39.937 -6.141 1.00 62.51 H new ATOM 0 HB3 MET A 70 1.159 39.070 -5.889 1.00 62.51 H new ATOM 0 HG2 MET A 70 0.008 39.939 -8.562 1.00 45.12 H new ATOM 0 HG3 MET A 70 1.376 40.658 -7.735 1.00 45.12 H new ATOM 0 HE1 MET A 70 2.084 38.133 -11.070 1.00 35.25 H new ATOM 0 HE2 MET A 70 0.429 38.545 -10.559 1.00 35.25 H new ATOM 0 HE3 MET A 70 1.655 39.825 -10.723 1.00 35.25 H new ATOM 1168 N LEU A 71 -0.736 37.390 -4.342 1.00 1.40 N ATOM 1169 CA LEU A 71 -1.495 37.180 -3.114 1.00 55.43 C ATOM 1170 C LEU A 71 -0.972 38.070 -1.991 1.00 55.44 C ATOM 1171 O LEU A 71 0.201 38.001 -1.627 1.00 3.01 O ATOM 1172 CB LEU A 71 -1.424 35.712 -2.692 1.00 31.01 C ATOM 1173 CG LEU A 71 -1.712 34.684 -3.787 1.00 30.14 C ATOM 1174 CD1 LEU A 71 -1.870 33.295 -3.187 1.00 3.43 C ATOM 1175 CD2 LEU A 71 -2.957 35.073 -4.570 1.00 14.24 C ATOM 0 H LEU A 71 0.275 37.305 -4.232 1.00 1.40 H new ATOM 0 HA LEU A 71 -2.534 37.446 -3.309 1.00 55.43 H new ATOM 0 HB2 LEU A 71 -0.429 35.518 -2.292 1.00 31.01 H new ATOM 0 HB3 LEU A 71 -2.132 35.554 -1.878 1.00 31.01 H new ATOM 0 HG LEU A 71 -0.866 34.667 -4.474 1.00 30.14 H new ATOM 0 HD11 LEU A 71 -2.074 32.577 -3.981 1.00 3.43 H new ATOM 0 HD12 LEU A 71 -0.951 33.015 -2.672 1.00 3.43 H new ATOM 0 HD13 LEU A 71 -2.698 33.297 -2.478 1.00 3.43 H new ATOM 0 HD21 LEU A 71 -3.146 34.330 -5.345 1.00 14.24 H new ATOM 0 HD22 LEU A 71 -3.812 35.119 -3.895 1.00 14.24 H new ATOM 0 HD23 LEU A 71 -2.806 36.049 -5.032 1.00 14.24 H new ATOM 1187 N TRP A 72 -1.851 38.904 -1.446 1.00 72.43 N ATOM 1188 CA TRP A 72 -1.478 39.806 -0.363 1.00 32.13 C ATOM 1189 C TRP A 72 -1.930 39.254 0.985 1.00 64.10 C ATOM 1190 O TRP A 72 -3.095 38.901 1.161 1.00 31.42 O ATOM 1191 CB TRP A 72 -2.088 41.190 -0.591 1.00 73.21 C ATOM 1192 CG TRP A 72 -1.825 41.736 -1.962 1.00 4.45 C ATOM 1193 CD1 TRP A 72 -2.752 42.194 -2.854 1.00 22.41 C ATOM 1194 CD2 TRP A 72 -0.549 41.881 -2.596 1.00 31.13 C ATOM 1195 NE1 TRP A 72 -2.129 42.614 -4.005 1.00 35.52 N ATOM 1196 CE2 TRP A 72 -0.778 42.433 -3.871 1.00 52.12 C ATOM 1197 CE3 TRP A 72 0.764 41.600 -2.210 1.00 21.34 C ATOM 1198 CZ2 TRP A 72 0.258 42.707 -4.760 1.00 74.14 C ATOM 1199 CZ3 TRP A 72 1.791 41.872 -3.093 1.00 70.24 C ATOM 1200 CH2 TRP A 72 1.533 42.422 -4.356 1.00 64.53 C ATOM 0 H TRP A 72 -2.826 38.974 -1.736 1.00 72.43 H new ATOM 0 HA TRP A 72 -0.391 39.893 -0.354 1.00 32.13 H new ATOM 0 HB2 TRP A 72 -3.165 41.136 -0.430 1.00 73.21 H new ATOM 0 HB3 TRP A 72 -1.689 41.882 0.151 1.00 73.21 H new ATOM 0 HD1 TRP A 72 -3.818 42.222 -2.681 1.00 22.41 H new ATOM 0 HE1 TRP A 72 -2.597 42.998 -4.826 1.00 35.52 H new ATOM 0 HE3 TRP A 72 0.972 41.177 -1.238 1.00 21.34 H new ATOM 0 HZ2 TRP A 72 0.062 43.130 -5.734 1.00 74.14 H new ATOM 0 HZ3 TRP A 72 2.810 41.657 -2.805 1.00 70.24 H new ATOM 0 HH2 TRP A 72 2.357 42.625 -5.023 1.00 64.53 H new ATOM 1211 N GLN A 73 -1.000 39.183 1.932 1.00 2.11 N ATOM 1212 CA GLN A 73 -1.304 38.673 3.264 1.00 41.12 C ATOM 1213 C GLN A 73 -2.466 39.439 3.888 1.00 44.31 C ATOM 1214 O GLN A 73 -2.414 40.661 4.026 1.00 70.41 O ATOM 1215 CB GLN A 73 -0.071 38.771 4.164 1.00 30.40 C ATOM 1216 CG GLN A 73 -0.021 37.702 5.245 1.00 43.45 C ATOM 1217 CD GLN A 73 -0.734 38.123 6.514 1.00 31.24 C ATOM 1218 OE1 GLN A 73 -1.873 37.726 6.761 1.00 73.42 O ATOM 1219 NE2 GLN A 73 -0.066 38.931 7.329 1.00 20.13 N ATOM 0 H GLN A 73 -0.030 39.472 1.802 1.00 2.11 H new ATOM 0 HA GLN A 73 -1.593 37.626 3.168 1.00 41.12 H new ATOM 0 HB2 GLN A 73 0.825 38.696 3.548 1.00 30.40 H new ATOM 0 HB3 GLN A 73 -0.052 39.754 4.635 1.00 30.40 H new ATOM 0 HG2 GLN A 73 -0.473 36.786 4.866 1.00 43.45 H new ATOM 0 HG3 GLN A 73 1.019 37.473 5.476 1.00 43.45 H new ATOM 0 HE21 GLN A 73 0.876 39.236 7.085 1.00 20.13 H new ATOM 0 HE22 GLN A 73 -0.495 39.247 8.199 1.00 20.13 H new ATOM 1228 N GLY A 74 -3.514 38.713 4.263 1.00 21.53 N ATOM 1229 CA GLY A 74 -4.674 39.341 4.868 1.00 60.12 C ATOM 1230 C GLY A 74 -5.819 39.507 3.889 1.00 54.01 C ATOM 1231 O GLY A 74 -6.952 39.780 4.287 1.00 40.11 O ATOM 0 H GLY A 74 -3.581 37.701 4.159 1.00 21.53 H new ATOM 0 HA2 GLY A 74 -5.008 38.741 5.715 1.00 60.12 H new ATOM 0 HA3 GLY A 74 -4.391 40.318 5.261 1.00 60.12 H new ATOM 1235 N LYS A 75 -5.525 39.344 2.603 1.00 33.44 N ATOM 1236 CA LYS A 75 -6.538 39.477 1.563 1.00 14.33 C ATOM 1237 C LYS A 75 -6.646 38.197 0.741 1.00 42.33 C ATOM 1238 O LYS A 75 -7.726 37.620 0.611 1.00 4.31 O ATOM 1239 CB LYS A 75 -6.206 40.658 0.648 1.00 15.01 C ATOM 1240 CG LYS A 75 -6.105 41.985 1.380 1.00 42.11 C ATOM 1241 CD LYS A 75 -7.476 42.589 1.633 1.00 30.33 C ATOM 1242 CE LYS A 75 -7.381 44.072 1.958 1.00 61.42 C ATOM 1243 NZ LYS A 75 -8.726 44.697 2.092 1.00 5.34 N ATOM 0 H LYS A 75 -4.592 39.119 2.256 1.00 33.44 H new ATOM 0 HA LYS A 75 -7.498 39.658 2.046 1.00 14.33 H new ATOM 0 HB2 LYS A 75 -5.262 40.460 0.141 1.00 15.01 H new ATOM 0 HB3 LYS A 75 -6.972 40.736 -0.124 1.00 15.01 H new ATOM 0 HG2 LYS A 75 -5.590 41.839 2.330 1.00 42.11 H new ATOM 0 HG3 LYS A 75 -5.503 42.680 0.794 1.00 42.11 H new ATOM 0 HD2 LYS A 75 -8.105 42.448 0.754 1.00 30.33 H new ATOM 0 HD3 LYS A 75 -7.959 42.065 2.458 1.00 30.33 H new ATOM 0 HE2 LYS A 75 -6.824 44.206 2.885 1.00 61.42 H new ATOM 0 HE3 LYS A 75 -6.821 44.581 1.174 1.00 61.42 H new ATOM 0 HZ1 LYS A 75 -8.619 45.707 2.314 1.00 5.34 H new ATOM 0 HZ2 LYS A 75 -9.248 44.592 1.199 1.00 5.34 H new ATOM 0 HZ3 LYS A 75 -9.252 44.229 2.857 1.00 5.34 H new ATOM 1257 N ASP A 76 -5.520 37.758 0.189 1.00 52.35 N ATOM 1258 CA ASP A 76 -5.488 36.545 -0.619 1.00 65.34 C ATOM 1259 C ASP A 76 -5.145 35.330 0.238 1.00 51.22 C ATOM 1260 O ASP A 76 -4.812 34.265 -0.282 1.00 1.10 O ATOM 1261 CB ASP A 76 -4.470 36.688 -1.752 1.00 71.14 C ATOM 1262 CG ASP A 76 -5.014 37.486 -2.921 1.00 5.40 C ATOM 1263 OD1 ASP A 76 -5.919 36.979 -3.616 1.00 3.44 O ATOM 1264 OD2 ASP A 76 -4.533 38.618 -3.141 1.00 40.14 O ATOM 0 H ASP A 76 -4.618 38.224 0.286 1.00 52.35 H new ATOM 0 HA ASP A 76 -6.479 36.397 -1.047 1.00 65.34 H new ATOM 0 HB2 ASP A 76 -3.572 37.174 -1.371 1.00 71.14 H new ATOM 0 HB3 ASP A 76 -4.174 35.698 -2.098 1.00 71.14 H new ATOM 1269 N ASP A 77 -5.228 35.498 1.553 1.00 55.41 N ATOM 1270 CA ASP A 77 -4.927 34.416 2.483 1.00 54.12 C ATOM 1271 C ASP A 77 -5.874 33.239 2.271 1.00 60.40 C ATOM 1272 O ASP A 77 -5.533 32.093 2.567 1.00 3.14 O ATOM 1273 CB ASP A 77 -5.026 34.913 3.926 1.00 33.30 C ATOM 1274 CG ASP A 77 -3.673 35.271 4.509 1.00 35.41 C ATOM 1275 OD1 ASP A 77 -2.769 35.635 3.729 1.00 13.30 O ATOM 1276 OD2 ASP A 77 -3.518 35.185 5.746 1.00 55.04 O ATOM 0 H ASP A 77 -5.501 36.374 1.999 1.00 55.41 H new ATOM 0 HA ASP A 77 -3.908 34.079 2.293 1.00 54.12 H new ATOM 0 HB2 ASP A 77 -5.677 35.787 3.962 1.00 33.30 H new ATOM 0 HB3 ASP A 77 -5.491 34.143 4.541 1.00 33.30 H new ATOM 1281 N HIS A 78 -7.065 33.528 1.757 1.00 12.52 N ATOM 1282 CA HIS A 78 -8.062 32.493 1.506 1.00 2.41 C ATOM 1283 C HIS A 78 -7.711 31.694 0.255 1.00 31.40 C ATOM 1284 O HIS A 78 -8.222 30.593 0.046 1.00 51.44 O ATOM 1285 CB HIS A 78 -9.449 33.118 1.354 1.00 32.22 C ATOM 1286 CG HIS A 78 -9.633 33.863 0.068 1.00 1.32 C ATOM 1287 ND1 HIS A 78 -8.774 34.634 -0.639 1.00 11.13 N flip ATOM 1288 CD2 HIS A 78 -10.818 33.867 -0.637 1.00 63.20 C flip ATOM 1289 CE1 HIS A 78 -9.448 35.084 -1.748 1.00 14.32 C flip ATOM 1290 NE2 HIS A 78 -10.679 34.606 -1.723 1.00 20.54 N flip ATOM 0 H HIS A 78 -7.364 34.470 1.506 1.00 12.52 H new ATOM 0 HA HIS A 78 -8.069 31.815 2.359 1.00 2.41 H new ATOM 0 HB2 HIS A 78 -10.202 32.332 1.420 1.00 32.22 H new ATOM 0 HB3 HIS A 78 -9.625 33.799 2.187 1.00 32.22 H new ATOM 0 HD2 HIS A 78 -11.719 33.347 -0.347 1.00 63.20 H new ATOM 0 HE1 HIS A 78 -9.038 35.724 -2.515 1.00 14.32 H new ATOM 0 HE2 HIS A 78 -11.400 34.778 -2.424 1.00 20.54 H new ATOM 1298 N VAL A 79 -6.837 32.254 -0.574 1.00 44.43 N ATOM 1299 CA VAL A 79 -6.417 31.594 -1.804 1.00 74.44 C ATOM 1300 C VAL A 79 -5.855 30.206 -1.519 1.00 25.15 C ATOM 1301 O VAL A 79 -4.799 30.067 -0.900 1.00 13.53 O ATOM 1302 CB VAL A 79 -5.356 32.422 -2.553 1.00 32.21 C ATOM 1303 CG1 VAL A 79 -4.886 31.687 -3.799 1.00 23.44 C ATOM 1304 CG2 VAL A 79 -5.906 33.794 -2.910 1.00 15.41 C ATOM 0 H VAL A 79 -6.405 33.165 -0.416 1.00 44.43 H new ATOM 0 HA VAL A 79 -7.304 31.502 -2.431 1.00 74.44 H new ATOM 0 HB VAL A 79 -4.497 32.559 -1.896 1.00 32.21 H new ATOM 0 HG11 VAL A 79 -4.137 32.288 -4.315 1.00 23.44 H new ATOM 0 HG12 VAL A 79 -4.450 30.729 -3.514 1.00 23.44 H new ATOM 0 HG13 VAL A 79 -5.734 31.517 -4.462 1.00 23.44 H new ATOM 0 HG21 VAL A 79 -5.143 34.366 -3.439 1.00 15.41 H new ATOM 0 HG22 VAL A 79 -6.782 33.680 -3.549 1.00 15.41 H new ATOM 0 HG23 VAL A 79 -6.188 34.321 -1.999 1.00 15.41 H new ATOM 1314 N VAL A 80 -6.566 29.179 -1.974 1.00 2.41 N ATOM 1315 CA VAL A 80 -6.137 27.801 -1.769 1.00 2.12 C ATOM 1316 C VAL A 80 -5.204 27.344 -2.885 1.00 1.13 C ATOM 1317 O VAL A 80 -5.617 27.212 -4.037 1.00 62.52 O ATOM 1318 CB VAL A 80 -7.341 26.843 -1.697 1.00 2.33 C ATOM 1319 CG1 VAL A 80 -6.871 25.397 -1.661 1.00 34.11 C ATOM 1320 CG2 VAL A 80 -8.203 27.163 -0.485 1.00 33.31 C ATOM 0 H VAL A 80 -7.442 29.276 -2.487 1.00 2.41 H new ATOM 0 HA VAL A 80 -5.603 27.774 -0.819 1.00 2.12 H new ATOM 0 HB VAL A 80 -7.947 26.980 -2.592 1.00 2.33 H new ATOM 0 HG11 VAL A 80 -7.735 24.735 -1.610 1.00 34.11 H new ATOM 0 HG12 VAL A 80 -6.298 25.178 -2.562 1.00 34.11 H new ATOM 0 HG13 VAL A 80 -6.242 25.241 -0.785 1.00 34.11 H new ATOM 0 HG21 VAL A 80 -9.049 26.477 -0.449 1.00 33.31 H new ATOM 0 HG22 VAL A 80 -7.609 27.055 0.423 1.00 33.31 H new ATOM 0 HG23 VAL A 80 -8.569 28.187 -0.559 1.00 33.31 H new ATOM 1330 N ILE A 81 -3.945 27.104 -2.535 1.00 2.35 N ATOM 1331 CA ILE A 81 -2.953 26.660 -3.507 1.00 15.34 C ATOM 1332 C ILE A 81 -2.843 25.139 -3.524 1.00 12.52 C ATOM 1333 O ILE A 81 -2.328 24.532 -2.585 1.00 24.03 O ATOM 1334 CB ILE A 81 -1.567 27.261 -3.211 1.00 4.03 C ATOM 1335 CG1 ILE A 81 -1.633 28.789 -3.236 1.00 2.43 C ATOM 1336 CG2 ILE A 81 -0.544 26.753 -4.216 1.00 50.23 C ATOM 1337 CD1 ILE A 81 -1.569 29.420 -1.862 1.00 63.41 C ATOM 0 H ILE A 81 -3.587 27.209 -1.586 1.00 2.35 H new ATOM 0 HA ILE A 81 -3.289 27.008 -4.483 1.00 15.34 H new ATOM 0 HB ILE A 81 -1.256 26.946 -2.215 1.00 4.03 H new ATOM 0 HG12 ILE A 81 -0.810 29.170 -3.841 1.00 2.43 H new ATOM 0 HG13 ILE A 81 -2.557 29.097 -3.725 1.00 2.43 H new ATOM 0 HG21 ILE A 81 0.431 27.187 -3.994 1.00 50.23 H new ATOM 0 HG22 ILE A 81 -0.481 25.667 -4.153 1.00 50.23 H new ATOM 0 HG23 ILE A 81 -0.848 27.041 -5.222 1.00 50.23 H new ATOM 0 HD11 ILE A 81 -1.621 30.505 -1.957 1.00 63.41 H new ATOM 0 HD12 ILE A 81 -2.407 29.068 -1.261 1.00 63.41 H new ATOM 0 HD13 ILE A 81 -0.633 29.143 -1.377 1.00 63.41 H new ATOM 1349 N THR A 82 -3.330 24.528 -4.600 1.00 3.34 N ATOM 1350 CA THR A 82 -3.286 23.078 -4.740 1.00 44.44 C ATOM 1351 C THR A 82 -2.148 22.650 -5.660 1.00 70.31 C ATOM 1352 O THR A 82 -2.175 22.914 -6.863 1.00 0.42 O ATOM 1353 CB THR A 82 -4.613 22.527 -5.293 1.00 53.05 C ATOM 1354 OG1 THR A 82 -4.458 21.151 -5.658 1.00 34.11 O ATOM 1355 CG2 THR A 82 -5.070 23.329 -6.503 1.00 33.22 C ATOM 0 H THR A 82 -3.759 25.015 -5.387 1.00 3.34 H new ATOM 0 HA THR A 82 -3.118 22.668 -3.744 1.00 44.44 H new ATOM 0 HB THR A 82 -5.369 22.613 -4.513 1.00 53.05 H new ATOM 0 HG1 THR A 82 -5.307 20.808 -6.007 1.00 34.11 H new ATOM 0 HG21 THR A 82 -6.009 22.921 -6.876 1.00 33.22 H new ATOM 0 HG22 THR A 82 -5.215 24.370 -6.216 1.00 33.22 H new ATOM 0 HG23 THR A 82 -4.313 23.271 -7.285 1.00 33.22 H new ATOM 1363 N LEU A 83 -1.149 21.986 -5.088 1.00 54.03 N ATOM 1364 CA LEU A 83 -0.001 21.519 -5.858 1.00 13.23 C ATOM 1365 C LEU A 83 -0.451 20.790 -7.120 1.00 15.52 C ATOM 1366 O LEU A 83 -0.915 19.651 -7.060 1.00 15.03 O ATOM 1367 CB LEU A 83 0.868 20.595 -5.004 1.00 30.53 C ATOM 1368 CG LEU A 83 2.373 20.653 -5.270 1.00 14.25 C ATOM 1369 CD1 LEU A 83 2.932 22.010 -4.872 1.00 4.12 C ATOM 1370 CD2 LEU A 83 3.090 19.538 -4.522 1.00 41.43 C ATOM 0 H LEU A 83 -1.111 21.759 -4.094 1.00 54.03 H new ATOM 0 HA LEU A 83 0.585 22.389 -6.154 1.00 13.23 H new ATOM 0 HB2 LEU A 83 0.695 20.834 -3.955 1.00 30.53 H new ATOM 0 HB3 LEU A 83 0.532 19.569 -5.157 1.00 30.53 H new ATOM 0 HG LEU A 83 2.540 20.513 -6.338 1.00 14.25 H new ATOM 0 HD11 LEU A 83 4.004 22.034 -5.068 1.00 4.12 H new ATOM 0 HD12 LEU A 83 2.440 22.791 -5.452 1.00 4.12 H new ATOM 0 HD13 LEU A 83 2.754 22.180 -3.810 1.00 4.12 H new ATOM 0 HD21 LEU A 83 4.160 19.595 -4.723 1.00 41.43 H new ATOM 0 HD22 LEU A 83 2.915 19.647 -3.452 1.00 41.43 H new ATOM 0 HD23 LEU A 83 2.709 18.573 -4.855 1.00 41.43 H new ATOM 1382 N LEU A 84 -0.310 21.454 -8.262 1.00 23.20 N ATOM 1383 CA LEU A 84 -0.700 20.869 -9.540 1.00 65.51 C ATOM 1384 C LEU A 84 0.486 20.177 -10.207 1.00 14.24 C ATOM 1385 O LEU A 84 1.177 20.771 -11.033 1.00 61.44 O ATOM 1386 CB LEU A 84 -1.262 21.947 -10.467 1.00 14.51 C ATOM 1387 CG LEU A 84 -2.571 22.600 -10.021 1.00 35.44 C ATOM 1388 CD1 LEU A 84 -3.090 23.545 -11.093 1.00 60.44 C ATOM 1389 CD2 LEU A 84 -3.612 21.538 -9.694 1.00 41.11 C ATOM 0 H LEU A 84 0.071 22.398 -8.329 1.00 23.20 H new ATOM 0 HA LEU A 84 -1.472 20.124 -9.349 1.00 65.51 H new ATOM 0 HB2 LEU A 84 -0.510 22.728 -10.581 1.00 14.51 H new ATOM 0 HB3 LEU A 84 -1.416 21.507 -11.452 1.00 14.51 H new ATOM 0 HG LEU A 84 -2.376 23.180 -9.119 1.00 35.44 H new ATOM 0 HD11 LEU A 84 -4.022 24.000 -10.757 1.00 60.44 H new ATOM 0 HD12 LEU A 84 -2.352 24.325 -11.279 1.00 60.44 H new ATOM 0 HD13 LEU A 84 -3.269 22.988 -12.013 1.00 60.44 H new ATOM 0 HD21 LEU A 84 -4.537 22.020 -9.378 1.00 41.11 H new ATOM 0 HD22 LEU A 84 -3.803 20.931 -10.579 1.00 41.11 H new ATOM 0 HD23 LEU A 84 -3.242 20.901 -8.890 1.00 41.11 H new ATOM 1401 N GLU A 85 0.712 18.919 -9.842 1.00 11.01 N ATOM 1402 CA GLU A 85 1.813 18.147 -10.406 1.00 52.12 C ATOM 1403 C GLU A 85 1.298 16.881 -11.085 1.00 52.22 C ATOM 1404 O GLU A 85 0.092 16.644 -11.145 1.00 52.31 O ATOM 1405 CB GLU A 85 2.820 17.780 -9.314 1.00 73.33 C ATOM 1406 CG GLU A 85 3.876 18.846 -9.076 1.00 53.03 C ATOM 1407 CD GLU A 85 5.254 18.260 -8.842 1.00 64.22 C ATOM 1408 OE1 GLU A 85 5.811 17.658 -9.785 1.00 14.40 O ATOM 1409 OE2 GLU A 85 5.777 18.402 -7.717 1.00 71.20 O ATOM 0 H GLU A 85 0.148 18.413 -9.159 1.00 11.01 H new ATOM 0 HA GLU A 85 2.309 18.764 -11.155 1.00 52.12 H new ATOM 0 HB2 GLU A 85 2.283 17.598 -8.383 1.00 73.33 H new ATOM 0 HB3 GLU A 85 3.313 16.846 -9.585 1.00 73.33 H new ATOM 0 HG2 GLU A 85 3.911 19.515 -9.935 1.00 53.03 H new ATOM 0 HG3 GLU A 85 3.590 19.449 -8.214 1.00 53.03 H new TER 1416 GLU A 85