USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 488 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 NoAdj-H: A 122 HIS HE2 : A 122 HIS NE2 : A 163 ZNZN :(H bumps) USER MOD NoAdj-H: A 126 HIS HE2 : A 126 HIS NE2 : A 163 ZNZN :(H bumps) USER MOD NoAdj-H: A 150 HIS HE2 : A 150 HIS NE2 : A 162 ZNZN :(H bumps) USER MOD NoAdj-H: A 155 HIS HE2 : A 155 HIS NE2 : A 162 ZNZN :(H bumps) USER MOD Single : A 103 SER OG : rot 180:sc= -0.154 USER MOD Single : A 110 THR OG1 : rot 6:sc= 0.38 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc=-0.00974 X(o=-0.0097,f=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot -57:sc= 0.637 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -4.95 X(o=-4.9,f=-4.5!) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.491 K(o=-0.49,f=-1.7) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0.0344 USER MOD Single : A 152 GLN : amide:sc= -2.84 K(o=-2.8,f=-7.1!) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 SER OG : rot -27:sc= 1.68 USER MOD Single : A 158 ASN : amide:sc= -0.746 K(o=-0.75,f=-0.093) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 102 -23.405 33.902 21.594 1.00 0.00 N ATOM 2 CA ARG A 102 -22.603 33.351 22.725 1.00 0.00 C ATOM 3 C ARG A 102 -23.410 32.261 23.436 1.00 0.00 C ATOM 4 O ARG A 102 -23.970 32.481 24.494 1.00 0.00 O ATOM 5 CB ARG A 102 -22.273 34.472 23.714 1.00 0.00 C ATOM 6 CG ARG A 102 -21.082 34.053 24.579 1.00 0.00 C ATOM 7 CD ARG A 102 -20.988 34.974 25.797 1.00 0.00 C ATOM 8 NE ARG A 102 -19.828 34.564 26.639 1.00 0.00 N ATOM 9 CZ ARG A 102 -19.702 35.037 27.848 1.00 0.00 C ATOM 10 NH1 ARG A 102 -20.666 34.881 28.715 1.00 0.00 N ATOM 11 NH2 ARG A 102 -18.612 35.666 28.192 1.00 0.00 N ATOM 0 HA ARG A 102 -21.676 32.925 22.340 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -22.040 35.390 23.175 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -23.138 34.683 24.344 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -21.198 33.018 24.900 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -20.161 34.105 23.998 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -20.871 36.009 25.476 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -21.909 34.923 26.378 1.00 0.00 H new ATOM 0 HE ARG A 102 -19.134 33.914 26.270 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -21.518 34.389 28.447 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -20.567 35.251 29.660 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -17.858 35.788 27.516 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -18.513 36.036 29.137 1.00 0.00 H new ATOM 25 N SER A 103 -23.474 31.086 22.860 1.00 0.00 N ATOM 26 CA SER A 103 -24.244 29.980 23.498 1.00 0.00 C ATOM 27 C SER A 103 -23.623 28.634 23.129 1.00 0.00 C ATOM 28 O SER A 103 -22.530 28.570 22.598 1.00 0.00 O ATOM 29 CB SER A 103 -25.696 30.021 23.020 1.00 0.00 C ATOM 30 OG SER A 103 -26.211 31.334 23.197 1.00 0.00 O ATOM 0 H SER A 103 -23.025 30.847 21.976 1.00 0.00 H new ATOM 0 HA SER A 103 -24.215 30.104 24.581 1.00 0.00 H new ATOM 0 HB2 SER A 103 -25.754 29.734 21.970 1.00 0.00 H new ATOM 0 HB3 SER A 103 -26.296 29.304 23.580 1.00 0.00 H new ATOM 0 HG SER A 103 -27.141 31.365 22.890 1.00 0.00 H new ATOM 36 N PHE A 104 -24.314 27.559 23.409 1.00 0.00 N ATOM 37 CA PHE A 104 -23.772 26.209 23.079 1.00 0.00 C ATOM 38 C PHE A 104 -24.205 25.832 21.663 1.00 0.00 C ATOM 39 O PHE A 104 -25.076 25.009 21.458 1.00 0.00 O ATOM 40 CB PHE A 104 -24.305 25.182 24.078 1.00 0.00 C ATOM 41 CG PHE A 104 -23.990 25.637 25.483 1.00 0.00 C ATOM 42 CD1 PHE A 104 -22.662 25.659 25.929 1.00 0.00 C ATOM 43 CD2 PHE A 104 -25.023 26.039 26.339 1.00 0.00 C ATOM 44 CE1 PHE A 104 -22.368 26.083 27.230 1.00 0.00 C ATOM 45 CE2 PHE A 104 -24.727 26.462 27.641 1.00 0.00 C ATOM 46 CZ PHE A 104 -23.400 26.485 28.087 1.00 0.00 C ATOM 0 H PHE A 104 -25.232 27.559 23.853 1.00 0.00 H new ATOM 0 HA PHE A 104 -22.684 26.224 23.136 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -25.382 25.064 23.955 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -23.854 24.208 23.890 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -21.865 25.349 25.269 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -26.047 26.023 25.996 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -21.344 26.100 27.573 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -25.523 26.771 28.302 1.00 0.00 H new ATOM 0 HZ PHE A 104 -23.173 26.812 29.091 1.00 0.00 H new ATOM 56 N VAL A 105 -23.590 26.440 20.687 1.00 0.00 N ATOM 57 CA VAL A 105 -23.937 26.146 19.262 1.00 0.00 C ATOM 58 C VAL A 105 -23.131 24.930 18.790 1.00 0.00 C ATOM 59 O VAL A 105 -21.965 24.783 19.104 1.00 0.00 O ATOM 60 CB VAL A 105 -23.629 27.387 18.387 1.00 0.00 C ATOM 61 CG1 VAL A 105 -22.224 27.914 18.695 1.00 0.00 C ATOM 62 CG2 VAL A 105 -23.719 27.036 16.891 1.00 0.00 C ATOM 0 H VAL A 105 -22.854 27.135 20.814 1.00 0.00 H new ATOM 0 HA VAL A 105 -24.999 25.919 19.173 1.00 0.00 H new ATOM 0 HB VAL A 105 -24.368 28.154 18.618 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -22.018 28.786 18.074 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -22.163 28.194 19.747 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -21.489 27.137 18.484 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -23.499 27.922 16.296 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -22.998 26.253 16.657 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -24.724 26.684 16.660 1.00 0.00 H new ATOM 72 N CYS A 106 -23.755 24.066 18.032 1.00 0.00 N ATOM 73 CA CYS A 106 -23.047 22.856 17.522 1.00 0.00 C ATOM 74 C CYS A 106 -21.893 23.290 16.616 1.00 0.00 C ATOM 75 O CYS A 106 -21.984 24.281 15.915 1.00 0.00 O ATOM 76 CB CYS A 106 -24.028 21.995 16.722 1.00 0.00 C ATOM 77 SG CYS A 106 -23.554 20.253 16.853 1.00 0.00 S ATOM 0 H CYS A 106 -24.730 24.148 17.743 1.00 0.00 H new ATOM 0 HA CYS A 106 -22.656 22.279 18.360 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -25.041 22.136 17.098 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -24.030 22.304 15.677 1.00 0.00 H new ATOM 82 N GLU A 107 -20.809 22.556 16.625 1.00 0.00 N ATOM 83 CA GLU A 107 -19.642 22.922 15.768 1.00 0.00 C ATOM 84 C GLU A 107 -19.745 22.230 14.400 1.00 0.00 C ATOM 85 O GLU A 107 -18.756 22.079 13.708 1.00 0.00 O ATOM 86 CB GLU A 107 -18.348 22.485 16.458 1.00 0.00 C ATOM 87 CG GLU A 107 -18.288 23.092 17.862 1.00 0.00 C ATOM 88 CD GLU A 107 -17.153 22.438 18.652 1.00 0.00 C ATOM 89 OE1 GLU A 107 -17.408 21.435 19.298 1.00 0.00 O ATOM 90 OE2 GLU A 107 -16.048 22.952 18.598 1.00 0.00 O ATOM 0 H GLU A 107 -20.682 21.717 17.191 1.00 0.00 H new ATOM 0 HA GLU A 107 -19.639 24.002 15.620 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -18.305 21.398 16.518 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -17.486 22.806 15.874 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -18.128 24.168 17.798 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -19.237 22.941 18.376 1.00 0.00 H new ATOM 97 N VAL A 108 -20.924 21.809 14.003 1.00 0.00 N ATOM 98 CA VAL A 108 -21.071 21.129 12.684 1.00 0.00 C ATOM 99 C VAL A 108 -22.242 21.741 11.912 1.00 0.00 C ATOM 100 O VAL A 108 -22.127 22.046 10.740 1.00 0.00 O ATOM 101 CB VAL A 108 -21.331 19.637 12.902 1.00 0.00 C ATOM 102 CG1 VAL A 108 -21.310 18.911 11.556 1.00 0.00 C ATOM 103 CG2 VAL A 108 -20.241 19.058 13.808 1.00 0.00 C ATOM 0 H VAL A 108 -21.787 21.909 14.538 1.00 0.00 H new ATOM 0 HA VAL A 108 -20.153 21.260 12.111 1.00 0.00 H new ATOM 0 HB VAL A 108 -22.306 19.504 13.371 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -21.495 17.848 11.713 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -22.084 19.323 10.908 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -20.335 19.044 11.086 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -20.425 17.995 13.964 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -19.267 19.193 13.337 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -20.254 19.574 14.768 1.00 0.00 H new ATOM 113 N CYS A 109 -23.364 21.922 12.561 1.00 0.00 N ATOM 114 CA CYS A 109 -24.546 22.513 11.864 1.00 0.00 C ATOM 115 C CYS A 109 -24.829 23.929 12.386 1.00 0.00 C ATOM 116 O CYS A 109 -25.841 24.516 12.057 1.00 0.00 O ATOM 117 CB CYS A 109 -25.775 21.627 12.093 1.00 0.00 C ATOM 118 SG CYS A 109 -26.053 21.404 13.869 1.00 0.00 S ATOM 0 H CYS A 109 -23.513 21.686 13.542 1.00 0.00 H new ATOM 0 HA CYS A 109 -24.328 22.571 10.798 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -26.652 22.082 11.633 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -25.630 20.658 11.614 1.00 0.00 H new ATOM 123 N THR A 110 -23.947 24.488 13.192 1.00 0.00 N ATOM 124 CA THR A 110 -24.164 25.876 13.732 1.00 0.00 C ATOM 125 C THR A 110 -25.578 26.005 14.325 1.00 0.00 C ATOM 126 O THR A 110 -26.315 26.920 14.008 1.00 0.00 O ATOM 127 CB THR A 110 -23.975 26.908 12.611 1.00 0.00 C ATOM 128 OG1 THR A 110 -25.059 26.826 11.697 1.00 0.00 O ATOM 129 CG2 THR A 110 -22.662 26.638 11.874 1.00 0.00 C ATOM 0 H THR A 110 -23.084 24.040 13.499 1.00 0.00 H new ATOM 0 HA THR A 110 -23.434 26.062 14.520 1.00 0.00 H new ATOM 0 HB THR A 110 -23.944 27.907 13.046 1.00 0.00 H new ATOM 0 HG1 THR A 110 -25.730 26.199 12.040 1.00 0.00 H new ATOM 0 HG21 THR A 110 -22.533 27.373 11.080 1.00 0.00 H new ATOM 0 HG22 THR A 110 -21.830 26.711 12.574 1.00 0.00 H new ATOM 0 HG23 THR A 110 -22.686 25.638 11.442 1.00 0.00 H new ATOM 137 N ARG A 111 -25.954 25.088 15.178 1.00 0.00 N ATOM 138 CA ARG A 111 -27.315 25.138 15.792 1.00 0.00 C ATOM 139 C ARG A 111 -27.302 26.104 16.982 1.00 0.00 C ATOM 140 O ARG A 111 -26.434 26.947 17.093 1.00 0.00 O ATOM 141 CB ARG A 111 -27.707 23.733 16.266 1.00 0.00 C ATOM 142 CG ARG A 111 -29.195 23.494 15.991 1.00 0.00 C ATOM 143 CD ARG A 111 -29.415 22.034 15.589 1.00 0.00 C ATOM 144 NE ARG A 111 -30.875 21.738 15.577 1.00 0.00 N ATOM 145 CZ ARG A 111 -31.346 20.754 16.292 1.00 0.00 C ATOM 146 NH1 ARG A 111 -30.932 19.535 16.077 1.00 0.00 N ATOM 147 NH2 ARG A 111 -32.233 20.987 17.221 1.00 0.00 N ATOM 0 H ARG A 111 -25.375 24.303 15.477 1.00 0.00 H new ATOM 0 HA ARG A 111 -28.040 25.486 15.056 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -27.107 22.984 15.750 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -27.502 23.627 17.331 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -29.782 23.730 16.879 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -29.539 24.156 15.197 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -28.987 21.848 14.604 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -28.904 21.372 16.288 1.00 0.00 H new ATOM 0 HE ARG A 111 -31.506 22.304 15.010 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -30.240 19.352 15.350 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -31.300 18.765 16.636 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -32.558 21.939 17.388 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -32.601 20.217 17.780 1.00 0.00 H new ATOM 161 N ALA A 112 -28.258 25.990 17.869 1.00 0.00 N ATOM 162 CA ALA A 112 -28.301 26.899 19.051 1.00 0.00 C ATOM 163 C ALA A 112 -28.942 26.169 20.230 1.00 0.00 C ATOM 164 O ALA A 112 -30.151 26.143 20.374 1.00 0.00 O ATOM 165 CB ALA A 112 -29.123 28.142 18.712 1.00 0.00 C ATOM 0 H ALA A 112 -29.012 25.304 17.824 1.00 0.00 H new ATOM 0 HA ALA A 112 -27.287 27.198 19.316 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -29.153 28.805 19.577 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -28.665 28.663 17.871 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -30.138 27.846 18.446 1.00 0.00 H new ATOM 171 N PHE A 113 -28.139 25.577 21.074 1.00 0.00 N ATOM 172 CA PHE A 113 -28.686 24.844 22.252 1.00 0.00 C ATOM 173 C PHE A 113 -28.504 25.695 23.509 1.00 0.00 C ATOM 174 O PHE A 113 -27.397 26.034 23.882 1.00 0.00 O ATOM 175 CB PHE A 113 -27.941 23.519 22.420 1.00 0.00 C ATOM 176 CG PHE A 113 -28.340 22.573 21.314 1.00 0.00 C ATOM 177 CD1 PHE A 113 -29.553 21.879 21.391 1.00 0.00 C ATOM 178 CD2 PHE A 113 -27.497 22.389 20.212 1.00 0.00 C ATOM 179 CE1 PHE A 113 -29.924 21.001 20.365 1.00 0.00 C ATOM 180 CE2 PHE A 113 -27.867 21.512 19.186 1.00 0.00 C ATOM 181 CZ PHE A 113 -29.081 20.818 19.262 1.00 0.00 C ATOM 0 H PHE A 113 -27.122 25.570 20.997 1.00 0.00 H new ATOM 0 HA PHE A 113 -29.747 24.646 22.097 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -26.865 23.689 22.397 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -28.173 23.080 23.390 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -30.203 22.021 22.242 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -26.561 22.924 20.153 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -30.860 20.465 20.424 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -27.216 21.370 18.336 1.00 0.00 H new ATOM 0 HZ PHE A 113 -29.367 20.142 18.470 1.00 0.00 H new ATOM 191 N ALA A 114 -29.582 26.045 24.160 1.00 0.00 N ATOM 192 CA ALA A 114 -29.482 26.877 25.394 1.00 0.00 C ATOM 193 C ALA A 114 -28.744 26.095 26.484 1.00 0.00 C ATOM 194 O ALA A 114 -28.122 26.673 27.356 1.00 0.00 O ATOM 195 CB ALA A 114 -30.886 27.234 25.883 1.00 0.00 C ATOM 0 H ALA A 114 -30.531 25.789 23.888 1.00 0.00 H new ATOM 0 HA ALA A 114 -28.931 27.791 25.170 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -30.814 27.842 26.785 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -31.409 27.795 25.108 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -31.437 26.320 26.105 1.00 0.00 H new ATOM 201 N ARG A 115 -28.811 24.786 26.443 1.00 0.00 N ATOM 202 CA ARG A 115 -28.116 23.965 27.478 1.00 0.00 C ATOM 203 C ARG A 115 -27.035 23.108 26.817 1.00 0.00 C ATOM 204 O ARG A 115 -27.212 22.601 25.725 1.00 0.00 O ATOM 205 CB ARG A 115 -29.133 23.054 28.170 1.00 0.00 C ATOM 206 CG ARG A 115 -30.254 23.902 28.772 1.00 0.00 C ATOM 207 CD ARG A 115 -29.883 24.299 30.203 1.00 0.00 C ATOM 208 NE ARG A 115 -29.218 25.633 30.190 1.00 0.00 N ATOM 209 CZ ARG A 115 -29.274 26.398 31.245 1.00 0.00 C ATOM 210 NH1 ARG A 115 -28.982 25.913 32.421 1.00 0.00 N ATOM 211 NH2 ARG A 115 -29.621 27.652 31.125 1.00 0.00 N ATOM 0 H ARG A 115 -29.318 24.253 25.736 1.00 0.00 H new ATOM 0 HA ARG A 115 -27.654 24.625 28.212 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -29.545 22.343 27.454 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -28.643 22.473 28.951 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -30.415 24.794 28.166 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -31.189 23.342 28.770 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -30.777 24.332 30.826 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -29.218 23.553 30.638 1.00 0.00 H new ATOM 0 HE ARG A 115 -28.720 25.947 29.357 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -28.710 24.935 32.516 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -29.026 26.512 33.245 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -29.848 28.033 30.206 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -29.665 28.250 31.950 1.00 0.00 H new ATOM 225 N GLN A 116 -25.916 22.942 27.476 1.00 0.00 N ATOM 226 CA GLN A 116 -24.812 22.115 26.900 1.00 0.00 C ATOM 227 C GLN A 116 -25.119 20.626 27.090 1.00 0.00 C ATOM 228 O GLN A 116 -24.571 19.787 26.402 1.00 0.00 O ATOM 229 CB GLN A 116 -23.498 22.458 27.605 1.00 0.00 C ATOM 230 CG GLN A 116 -22.332 21.817 26.850 1.00 0.00 C ATOM 231 CD GLN A 116 -21.023 22.488 27.265 1.00 0.00 C ATOM 232 OE1 GLN A 116 -20.348 23.086 26.451 1.00 0.00 O ATOM 233 NE2 GLN A 116 -20.632 22.417 28.508 1.00 0.00 N ATOM 0 H GLN A 116 -25.719 23.345 28.392 1.00 0.00 H new ATOM 0 HA GLN A 116 -24.724 22.329 25.835 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -23.367 23.539 27.648 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -23.520 22.099 28.634 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -22.289 20.749 27.065 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -22.481 21.920 25.775 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -21.198 21.915 29.193 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -19.761 22.863 28.795 1.00 0.00 H new ATOM 242 N GLU A 117 -25.987 20.288 28.014 1.00 0.00 N ATOM 243 CA GLU A 117 -26.324 18.853 28.238 1.00 0.00 C ATOM 244 C GLU A 117 -26.986 18.284 26.980 1.00 0.00 C ATOM 245 O GLU A 117 -26.795 17.134 26.634 1.00 0.00 O ATOM 246 CB GLU A 117 -27.292 18.737 29.420 1.00 0.00 C ATOM 247 CG GLU A 117 -27.542 17.261 29.737 1.00 0.00 C ATOM 248 CD GLU A 117 -26.605 16.812 30.861 1.00 0.00 C ATOM 249 OE1 GLU A 117 -26.858 17.178 31.996 1.00 0.00 O ATOM 250 OE2 GLU A 117 -25.653 16.109 30.566 1.00 0.00 O ATOM 0 H GLU A 117 -26.475 20.947 28.621 1.00 0.00 H new ATOM 0 HA GLU A 117 -25.414 18.294 28.456 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -26.878 19.242 30.293 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -28.233 19.233 29.182 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -28.580 17.113 30.034 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -27.376 16.654 28.847 1.00 0.00 H new ATOM 257 N HIS A 118 -27.762 19.086 26.298 1.00 0.00 N ATOM 258 CA HIS A 118 -28.445 18.606 25.060 1.00 0.00 C ATOM 259 C HIS A 118 -27.436 18.537 23.910 1.00 0.00 C ATOM 260 O HIS A 118 -27.496 17.653 23.076 1.00 0.00 O ATOM 261 CB HIS A 118 -29.570 19.574 24.691 1.00 0.00 C ATOM 262 CG HIS A 118 -30.610 19.570 25.777 1.00 0.00 C ATOM 263 ND1 HIS A 118 -31.422 20.666 26.028 1.00 0.00 N ATOM 264 CD2 HIS A 118 -30.984 18.612 26.687 1.00 0.00 C ATOM 265 CE1 HIS A 118 -32.235 20.343 27.050 1.00 0.00 C ATOM 266 NE2 HIS A 118 -32.010 19.101 27.489 1.00 0.00 N ATOM 0 H HIS A 118 -27.953 20.057 26.546 1.00 0.00 H new ATOM 0 HA HIS A 118 -28.860 17.614 25.238 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -29.170 20.579 24.559 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -30.019 19.282 23.742 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -30.547 17.627 26.768 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -32.979 21.007 27.465 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -32.488 18.616 28.249 1.00 0.00 H new ATOM 274 N LEU A 119 -26.513 19.465 23.858 1.00 0.00 N ATOM 275 CA LEU A 119 -25.500 19.465 22.768 1.00 0.00 C ATOM 276 C LEU A 119 -24.564 18.262 22.928 1.00 0.00 C ATOM 277 O LEU A 119 -23.990 17.785 21.968 1.00 0.00 O ATOM 278 CB LEU A 119 -24.682 20.757 22.842 1.00 0.00 C ATOM 279 CG LEU A 119 -24.318 21.223 21.430 1.00 0.00 C ATOM 280 CD1 LEU A 119 -23.532 22.530 21.515 1.00 0.00 C ATOM 281 CD2 LEU A 119 -23.455 20.163 20.746 1.00 0.00 C ATOM 0 H LEU A 119 -26.421 20.226 24.531 1.00 0.00 H new ATOM 0 HA LEU A 119 -26.005 19.401 21.804 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -25.254 21.531 23.354 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -23.776 20.592 23.425 1.00 0.00 H new ATOM 0 HG LEU A 119 -25.231 21.377 20.854 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -23.272 22.864 20.511 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -24.142 23.290 22.003 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -22.621 22.370 22.092 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -23.197 20.497 19.741 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -22.543 20.009 21.322 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -24.009 19.226 20.686 1.00 0.00 H new ATOM 293 N LYS A 120 -24.399 17.776 24.132 1.00 0.00 N ATOM 294 CA LYS A 120 -23.490 16.612 24.360 1.00 0.00 C ATOM 295 C LYS A 120 -23.962 15.407 23.536 1.00 0.00 C ATOM 296 O LYS A 120 -23.259 14.930 22.664 1.00 0.00 O ATOM 297 CB LYS A 120 -23.496 16.246 25.848 1.00 0.00 C ATOM 298 CG LYS A 120 -22.302 16.904 26.542 1.00 0.00 C ATOM 299 CD LYS A 120 -21.134 15.918 26.595 1.00 0.00 C ATOM 300 CE LYS A 120 -20.037 16.471 27.508 1.00 0.00 C ATOM 301 NZ LYS A 120 -19.022 17.189 26.686 1.00 0.00 N ATOM 0 H LYS A 120 -24.856 18.136 24.970 1.00 0.00 H new ATOM 0 HA LYS A 120 -22.480 16.881 24.051 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -24.426 16.576 26.311 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -23.448 15.164 25.967 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -22.007 17.805 26.004 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -22.578 17.211 27.551 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -21.477 14.952 26.965 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -20.738 15.753 25.593 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -20.469 17.148 28.245 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -19.565 15.659 28.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -18.276 17.565 27.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -18.602 16.530 26.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -19.478 17.974 26.178 1.00 0.00 H new ATOM 315 N ARG A 121 -25.142 14.912 23.811 1.00 0.00 N ATOM 316 CA ARG A 121 -25.664 13.736 23.051 1.00 0.00 C ATOM 317 C ARG A 121 -25.919 14.133 21.594 1.00 0.00 C ATOM 318 O ARG A 121 -25.815 13.321 20.694 1.00 0.00 O ATOM 319 CB ARG A 121 -26.972 13.261 23.687 1.00 0.00 C ATOM 320 CG ARG A 121 -27.076 11.740 23.571 1.00 0.00 C ATOM 321 CD ARG A 121 -28.026 11.210 24.647 1.00 0.00 C ATOM 322 NE ARG A 121 -28.385 9.797 24.339 1.00 0.00 N ATOM 323 CZ ARG A 121 -29.465 9.274 24.852 1.00 0.00 C ATOM 324 NH1 ARG A 121 -29.655 9.303 26.142 1.00 0.00 N ATOM 325 NH2 ARG A 121 -30.355 8.721 24.073 1.00 0.00 N ATOM 0 H ARG A 121 -25.768 15.273 24.531 1.00 0.00 H new ATOM 0 HA ARG A 121 -24.929 12.932 23.081 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -27.008 13.559 24.735 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -27.821 13.732 23.192 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -27.440 11.464 22.581 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -26.091 11.288 23.686 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -27.553 11.271 25.627 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -28.925 11.824 24.688 1.00 0.00 H new ATOM 0 HE ARG A 121 -27.788 9.240 23.728 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -28.959 9.735 26.750 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -30.499 8.894 26.542 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -30.206 8.698 23.064 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -31.199 8.312 24.473 1.00 0.00 H new ATOM 339 N HIS A 122 -26.254 15.375 21.362 1.00 0.00 N ATOM 340 CA HIS A 122 -26.523 15.841 19.969 1.00 0.00 C ATOM 341 C HIS A 122 -25.205 15.852 19.167 1.00 0.00 C ATOM 342 O HIS A 122 -25.219 15.841 17.950 1.00 0.00 O ATOM 343 CB HIS A 122 -27.132 17.256 20.033 1.00 0.00 C ATOM 344 CG HIS A 122 -27.236 17.864 18.655 1.00 0.00 C ATOM 345 ND1 HIS A 122 -28.246 17.524 17.769 1.00 0.00 N ATOM 346 CD2 HIS A 122 -26.464 18.794 18.004 1.00 0.00 C ATOM 347 CE1 HIS A 122 -28.057 18.238 16.645 1.00 0.00 C ATOM 348 NE2 HIS A 122 -26.983 19.028 16.734 1.00 0.00 N ATOM 0 H HIS A 122 -26.353 16.091 22.082 1.00 0.00 H new ATOM 0 HA HIS A 122 -27.223 15.170 19.471 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -28.121 17.210 20.489 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -26.517 17.892 20.669 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -28.996 16.854 17.939 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -25.587 19.272 18.415 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -28.696 18.180 15.776 1.00 0.00 H new ATOM 356 N TYR A 123 -24.077 15.879 19.836 1.00 0.00 N ATOM 357 CA TYR A 123 -22.772 15.896 19.111 1.00 0.00 C ATOM 358 C TYR A 123 -22.399 14.473 18.691 1.00 0.00 C ATOM 359 O TYR A 123 -21.846 14.257 17.628 1.00 0.00 O ATOM 360 CB TYR A 123 -21.687 16.459 20.033 1.00 0.00 C ATOM 361 CG TYR A 123 -20.409 16.652 19.252 1.00 0.00 C ATOM 362 CD1 TYR A 123 -20.295 17.718 18.352 1.00 0.00 C ATOM 363 CD2 TYR A 123 -19.340 15.767 19.429 1.00 0.00 C ATOM 364 CE1 TYR A 123 -19.110 17.898 17.628 1.00 0.00 C ATOM 365 CE2 TYR A 123 -18.155 15.947 18.705 1.00 0.00 C ATOM 366 CZ TYR A 123 -18.040 17.013 17.804 1.00 0.00 C ATOM 367 OH TYR A 123 -16.872 17.191 17.092 1.00 0.00 O ATOM 0 H TYR A 123 -24.006 15.890 20.853 1.00 0.00 H new ATOM 0 HA TYR A 123 -22.858 16.522 18.223 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -22.013 17.409 20.457 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -21.516 15.779 20.868 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -21.120 18.401 18.216 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -19.429 14.945 20.124 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -19.022 18.720 16.933 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -17.330 15.264 18.841 1.00 0.00 H new ATOM 0 HH TYR A 123 -16.231 16.490 17.334 1.00 0.00 H new ATOM 377 N ARG A 124 -22.700 13.504 19.518 1.00 0.00 N ATOM 378 CA ARG A 124 -22.368 12.090 19.173 1.00 0.00 C ATOM 379 C ARG A 124 -23.137 11.674 17.916 1.00 0.00 C ATOM 380 O ARG A 124 -22.696 10.827 17.162 1.00 0.00 O ATOM 381 CB ARG A 124 -22.755 11.176 20.342 1.00 0.00 C ATOM 382 CG ARG A 124 -21.508 10.836 21.164 1.00 0.00 C ATOM 383 CD ARG A 124 -21.901 10.611 22.627 1.00 0.00 C ATOM 384 NE ARG A 124 -21.623 11.847 23.412 1.00 0.00 N ATOM 385 CZ ARG A 124 -20.944 11.775 24.524 1.00 0.00 C ATOM 386 NH1 ARG A 124 -21.432 11.123 25.544 1.00 0.00 N ATOM 387 NH2 ARG A 124 -19.778 12.354 24.616 1.00 0.00 N ATOM 0 H ARG A 124 -23.162 13.632 20.418 1.00 0.00 H new ATOM 0 HA ARG A 124 -21.298 12.003 18.984 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -23.495 11.669 20.972 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -23.215 10.262 19.965 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -21.029 9.942 20.764 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -20.782 11.645 21.093 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -22.958 10.354 22.695 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -21.342 9.772 23.040 1.00 0.00 H new ATOM 0 HE ARG A 124 -21.964 12.749 23.080 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -22.343 10.670 25.471 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -20.902 11.066 26.414 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -19.397 12.863 23.818 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -19.248 12.297 25.485 1.00 0.00 H new ATOM 401 N SER A 125 -24.285 12.264 17.686 1.00 0.00 N ATOM 402 CA SER A 125 -25.086 11.908 16.479 1.00 0.00 C ATOM 403 C SER A 125 -24.457 12.551 15.241 1.00 0.00 C ATOM 404 O SER A 125 -24.523 12.014 14.151 1.00 0.00 O ATOM 405 CB SER A 125 -26.517 12.420 16.647 1.00 0.00 C ATOM 406 OG SER A 125 -26.504 13.839 16.704 1.00 0.00 O ATOM 0 H SER A 125 -24.700 12.978 18.285 1.00 0.00 H new ATOM 0 HA SER A 125 -25.099 10.825 16.359 1.00 0.00 H new ATOM 0 HB2 SER A 125 -27.136 12.084 15.815 1.00 0.00 H new ATOM 0 HB3 SER A 125 -26.957 12.012 17.557 1.00 0.00 H new ATOM 0 HG SER A 125 -25.928 14.132 17.441 1.00 0.00 H new ATOM 412 N HIS A 126 -23.844 13.697 15.405 1.00 0.00 N ATOM 413 CA HIS A 126 -23.206 14.385 14.243 1.00 0.00 C ATOM 414 C HIS A 126 -22.014 13.559 13.754 1.00 0.00 C ATOM 415 O HIS A 126 -22.058 12.955 12.700 1.00 0.00 O ATOM 416 CB HIS A 126 -22.719 15.769 14.675 1.00 0.00 C ATOM 417 CG HIS A 126 -23.811 16.779 14.456 1.00 0.00 C ATOM 418 ND1 HIS A 126 -24.193 17.192 13.189 1.00 0.00 N ATOM 419 CD2 HIS A 126 -24.609 17.472 15.331 1.00 0.00 C ATOM 420 CE1 HIS A 126 -25.180 18.095 13.336 1.00 0.00 C ATOM 421 NE2 HIS A 126 -25.473 18.302 14.623 1.00 0.00 N ATOM 0 H HIS A 126 -23.758 14.186 16.296 1.00 0.00 H new ATOM 0 HA HIS A 126 -23.934 14.489 13.438 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -22.431 15.752 15.726 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -21.832 16.048 14.106 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -23.798 16.870 12.306 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -24.572 17.386 16.407 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -25.675 18.592 12.514 1.00 0.00 H new ATOM 429 N THR A 127 -20.952 13.532 14.517 1.00 0.00 N ATOM 430 CA THR A 127 -19.748 12.751 14.110 1.00 0.00 C ATOM 431 C THR A 127 -20.100 11.263 14.007 1.00 0.00 C ATOM 432 O THR A 127 -19.464 10.527 13.279 1.00 0.00 O ATOM 433 CB THR A 127 -18.642 12.938 15.151 1.00 0.00 C ATOM 434 OG1 THR A 127 -17.550 12.086 14.839 1.00 0.00 O ATOM 435 CG2 THR A 127 -19.180 12.593 16.539 1.00 0.00 C ATOM 0 H THR A 127 -20.868 14.020 15.409 1.00 0.00 H new ATOM 0 HA THR A 127 -19.404 13.107 13.139 1.00 0.00 H new ATOM 0 HB THR A 127 -18.308 13.975 15.142 1.00 0.00 H new ATOM 0 HG1 THR A 127 -16.841 12.206 15.505 1.00 0.00 H new ATOM 0 HG21 THR A 127 -18.391 12.727 17.279 1.00 0.00 H new ATOM 0 HG22 THR A 127 -20.017 13.249 16.778 1.00 0.00 H new ATOM 0 HG23 THR A 127 -19.517 11.556 16.551 1.00 0.00 H new ATOM 443 N ASN A 128 -21.104 10.822 14.741 1.00 0.00 N ATOM 444 CA ASN A 128 -21.537 9.377 14.727 1.00 0.00 C ATOM 445 C ASN A 128 -20.326 8.429 14.736 1.00 0.00 C ATOM 446 O ASN A 128 -19.767 8.106 13.706 1.00 0.00 O ATOM 447 CB ASN A 128 -22.423 9.099 13.500 1.00 0.00 C ATOM 448 CG ASN A 128 -21.661 9.384 12.205 1.00 0.00 C ATOM 449 OD1 ASN A 128 -21.536 10.521 11.797 1.00 0.00 O ATOM 450 ND2 ASN A 128 -21.145 8.391 11.534 1.00 0.00 N ATOM 0 H ASN A 128 -21.653 11.416 15.362 1.00 0.00 H new ATOM 0 HA ASN A 128 -22.114 9.191 15.633 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -22.753 8.060 13.512 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -23.319 9.719 13.544 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -20.637 8.570 10.668 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -21.249 7.436 11.876 1.00 0.00 H new ATOM 457 N GLU A 129 -19.923 7.982 15.902 1.00 0.00 N ATOM 458 CA GLU A 129 -18.755 7.058 16.003 1.00 0.00 C ATOM 459 C GLU A 129 -17.504 7.752 15.453 1.00 0.00 C ATOM 460 O GLU A 129 -17.594 8.728 14.730 1.00 0.00 O ATOM 461 CB GLU A 129 -19.040 5.785 15.202 1.00 0.00 C ATOM 462 CG GLU A 129 -18.526 4.565 15.970 1.00 0.00 C ATOM 463 CD GLU A 129 -18.403 3.376 15.017 1.00 0.00 C ATOM 464 OE1 GLU A 129 -18.032 3.593 13.874 1.00 0.00 O ATOM 465 OE2 GLU A 129 -18.683 2.268 15.444 1.00 0.00 O ATOM 0 H GLU A 129 -20.358 8.221 16.793 1.00 0.00 H new ATOM 0 HA GLU A 129 -18.587 6.794 17.047 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -20.111 5.689 15.023 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -18.557 5.842 14.226 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -17.558 4.786 16.419 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -19.207 4.322 16.785 1.00 0.00 H new ATOM 472 N LYS A 130 -16.339 7.259 15.794 1.00 0.00 N ATOM 473 CA LYS A 130 -15.082 7.891 15.296 1.00 0.00 C ATOM 474 C LYS A 130 -14.926 7.607 13.790 1.00 0.00 C ATOM 475 O LYS A 130 -15.435 6.615 13.306 1.00 0.00 O ATOM 476 CB LYS A 130 -13.885 7.321 16.059 1.00 0.00 C ATOM 477 CG LYS A 130 -13.704 8.100 17.366 1.00 0.00 C ATOM 478 CD LYS A 130 -12.945 7.240 18.383 1.00 0.00 C ATOM 479 CE LYS A 130 -13.547 7.436 19.777 1.00 0.00 C ATOM 480 NZ LYS A 130 -12.481 7.271 20.806 1.00 0.00 N ATOM 0 H LYS A 130 -16.206 6.446 16.396 1.00 0.00 H new ATOM 0 HA LYS A 130 -15.128 8.968 15.455 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -14.043 6.264 16.271 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -12.983 7.393 15.451 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -13.157 9.023 17.177 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -14.676 8.383 17.769 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -12.999 6.189 18.098 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -11.890 7.514 18.390 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -13.993 8.427 19.856 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -14.345 6.713 19.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -12.889 7.404 21.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -12.075 6.316 20.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -11.734 7.978 20.649 1.00 0.00 H new ATOM 494 N PRO A 131 -14.240 8.487 13.078 1.00 0.00 N ATOM 495 CA PRO A 131 -14.037 8.328 11.625 1.00 0.00 C ATOM 496 C PRO A 131 -12.923 7.317 11.313 1.00 0.00 C ATOM 497 O PRO A 131 -12.597 7.094 10.161 1.00 0.00 O ATOM 498 CB PRO A 131 -13.631 9.730 11.162 1.00 0.00 C ATOM 499 CG PRO A 131 -13.069 10.459 12.406 1.00 0.00 C ATOM 500 CD PRO A 131 -13.608 9.709 13.638 1.00 0.00 C ATOM 0 HA PRO A 131 -14.927 7.947 11.125 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -12.881 9.676 10.373 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -14.487 10.266 10.752 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -11.979 10.456 12.397 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -13.385 11.502 12.419 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -12.807 9.459 14.333 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -14.330 10.314 14.187 1.00 0.00 H new ATOM 508 N TYR A 132 -12.331 6.707 12.315 1.00 0.00 N ATOM 509 CA TYR A 132 -11.239 5.723 12.048 1.00 0.00 C ATOM 510 C TYR A 132 -11.470 4.444 12.880 1.00 0.00 C ATOM 511 O TYR A 132 -10.760 4.201 13.836 1.00 0.00 O ATOM 512 CB TYR A 132 -9.892 6.351 12.416 1.00 0.00 C ATOM 513 CG TYR A 132 -9.718 7.647 11.661 1.00 0.00 C ATOM 514 CD1 TYR A 132 -9.544 7.629 10.272 1.00 0.00 C ATOM 515 CD2 TYR A 132 -9.734 8.867 12.349 1.00 0.00 C ATOM 516 CE1 TYR A 132 -9.384 8.831 9.571 1.00 0.00 C ATOM 517 CE2 TYR A 132 -9.575 10.068 11.647 1.00 0.00 C ATOM 518 CZ TYR A 132 -9.400 10.050 10.258 1.00 0.00 C ATOM 519 OH TYR A 132 -9.244 11.235 9.567 1.00 0.00 O ATOM 0 H TYR A 132 -12.557 6.849 13.299 1.00 0.00 H new ATOM 0 HA TYR A 132 -11.238 5.458 10.991 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -9.845 6.534 13.490 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -9.080 5.665 12.174 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -9.533 6.689 9.741 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -9.869 8.881 13.420 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -9.248 8.817 8.500 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -9.587 11.009 12.177 1.00 0.00 H new ATOM 0 HH TYR A 132 -9.281 11.987 10.194 1.00 0.00 H new ATOM 529 N PRO A 133 -12.455 3.648 12.494 1.00 0.00 N ATOM 530 CA PRO A 133 -12.764 2.393 13.203 1.00 0.00 C ATOM 531 C PRO A 133 -11.789 1.290 12.776 1.00 0.00 C ATOM 532 O PRO A 133 -11.454 1.166 11.613 1.00 0.00 O ATOM 533 CB PRO A 133 -14.188 2.062 12.749 1.00 0.00 C ATOM 534 CG PRO A 133 -14.402 2.795 11.403 1.00 0.00 C ATOM 535 CD PRO A 133 -13.348 3.917 11.338 1.00 0.00 C ATOM 0 HA PRO A 133 -12.677 2.480 14.286 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -14.317 0.986 12.630 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -14.917 2.390 13.490 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -14.287 2.107 10.565 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -15.410 3.206 11.342 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -12.799 3.893 10.397 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -13.810 4.902 11.412 1.00 0.00 H new ATOM 543 N CYS A 134 -11.334 0.491 13.708 1.00 0.00 N ATOM 544 CA CYS A 134 -10.382 -0.607 13.361 1.00 0.00 C ATOM 545 C CYS A 134 -11.086 -1.629 12.467 1.00 0.00 C ATOM 546 O CYS A 134 -12.298 -1.729 12.462 1.00 0.00 O ATOM 547 CB CYS A 134 -9.906 -1.296 14.643 1.00 0.00 C ATOM 548 SG CYS A 134 -8.303 -2.084 14.349 1.00 0.00 S ATOM 0 H CYS A 134 -11.581 0.552 14.696 1.00 0.00 H new ATOM 0 HA CYS A 134 -9.525 -0.189 12.833 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -9.822 -0.568 15.450 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -10.636 -2.041 14.960 1.00 0.00 H new ATOM 553 N GLY A 135 -10.333 -2.389 11.712 1.00 0.00 N ATOM 554 CA GLY A 135 -10.951 -3.411 10.815 1.00 0.00 C ATOM 555 C GLY A 135 -10.412 -4.800 11.164 1.00 0.00 C ATOM 556 O GLY A 135 -10.381 -5.686 10.330 1.00 0.00 O ATOM 0 H GLY A 135 -9.314 -2.345 11.679 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -12.036 -3.394 10.922 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -10.730 -3.176 9.774 1.00 0.00 H new ATOM 560 N LEU A 136 -9.988 -4.998 12.389 1.00 0.00 N ATOM 561 CA LEU A 136 -9.451 -6.332 12.794 1.00 0.00 C ATOM 562 C LEU A 136 -10.030 -6.713 14.157 1.00 0.00 C ATOM 563 O LEU A 136 -10.488 -7.822 14.360 1.00 0.00 O ATOM 564 CB LEU A 136 -7.920 -6.272 12.888 1.00 0.00 C ATOM 565 CG LEU A 136 -7.341 -5.574 11.651 1.00 0.00 C ATOM 566 CD1 LEU A 136 -5.839 -5.361 11.840 1.00 0.00 C ATOM 567 CD2 LEU A 136 -7.579 -6.443 10.413 1.00 0.00 C ATOM 0 H LEU A 136 -9.991 -4.292 13.125 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.734 -7.077 12.050 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.624 -5.735 13.789 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.513 -7.280 12.970 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.832 -4.610 11.518 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.428 -4.865 10.961 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.667 -4.741 12.720 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.349 -6.325 11.975 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.167 -5.946 9.535 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.090 -7.408 10.546 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.650 -6.595 10.275 1.00 0.00 H new ATOM 579 N CYS A 137 -10.010 -5.798 15.091 1.00 0.00 N ATOM 580 CA CYS A 137 -10.555 -6.088 16.451 1.00 0.00 C ATOM 581 C CYS A 137 -11.848 -5.291 16.694 1.00 0.00 C ATOM 582 O CYS A 137 -12.528 -5.494 17.680 1.00 0.00 O ATOM 583 CB CYS A 137 -9.512 -5.703 17.502 1.00 0.00 C ATOM 584 SG CYS A 137 -9.066 -3.955 17.329 1.00 0.00 S ATOM 0 H CYS A 137 -9.637 -4.856 14.969 1.00 0.00 H new ATOM 0 HA CYS A 137 -10.782 -7.152 16.523 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -9.906 -5.888 18.501 1.00 0.00 H new ATOM 0 HB3 CYS A 137 -8.624 -6.325 17.389 1.00 0.00 H new ATOM 589 N ASN A 138 -12.183 -4.379 15.810 1.00 0.00 N ATOM 590 CA ASN A 138 -13.423 -3.552 15.980 1.00 0.00 C ATOM 591 C ASN A 138 -13.212 -2.558 17.122 1.00 0.00 C ATOM 592 O ASN A 138 -13.659 -2.768 18.234 1.00 0.00 O ATOM 593 CB ASN A 138 -14.644 -4.439 16.287 1.00 0.00 C ATOM 594 CG ASN A 138 -14.664 -5.643 15.342 1.00 0.00 C ATOM 595 OD1 ASN A 138 -14.085 -5.602 14.274 1.00 0.00 O ATOM 596 ND2 ASN A 138 -15.312 -6.721 15.691 1.00 0.00 N ATOM 0 H ASN A 138 -11.644 -4.170 14.969 1.00 0.00 H new ATOM 0 HA ASN A 138 -13.615 -3.019 15.049 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -14.607 -4.779 17.322 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -15.562 -3.862 16.174 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -15.332 -7.528 15.068 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -15.798 -6.756 16.587 1.00 0.00 H new ATOM 603 N ARG A 139 -12.531 -1.474 16.848 1.00 0.00 N ATOM 604 CA ARG A 139 -12.277 -0.449 17.901 1.00 0.00 C ATOM 605 C ARG A 139 -12.597 0.938 17.339 1.00 0.00 C ATOM 606 O ARG A 139 -13.119 1.063 16.247 1.00 0.00 O ATOM 607 CB ARG A 139 -10.806 -0.508 18.322 1.00 0.00 C ATOM 608 CG ARG A 139 -10.646 -1.491 19.483 1.00 0.00 C ATOM 609 CD ARG A 139 -9.368 -1.164 20.256 1.00 0.00 C ATOM 610 NE ARG A 139 -9.170 -2.170 21.337 1.00 0.00 N ATOM 611 CZ ARG A 139 -8.360 -1.914 22.328 1.00 0.00 C ATOM 612 NH1 ARG A 139 -8.529 -0.837 23.047 1.00 0.00 N ATOM 613 NH2 ARG A 139 -7.381 -2.733 22.599 1.00 0.00 N ATOM 0 H ARG A 139 -12.138 -1.255 15.933 1.00 0.00 H new ATOM 0 HA ARG A 139 -12.908 -0.645 18.768 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -10.188 -0.820 17.480 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -10.462 0.482 18.620 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.510 -1.431 20.145 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -10.604 -2.513 19.105 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -8.512 -1.166 19.581 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -9.435 -0.164 20.683 1.00 0.00 H new ATOM 0 HE ARG A 139 -9.668 -3.060 21.303 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -9.294 -0.196 22.834 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -7.896 -0.636 23.822 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -7.249 -3.573 22.036 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -6.748 -2.533 23.373 1.00 0.00 H new ATOM 627 N ALA A 140 -12.291 1.977 18.075 1.00 0.00 N ATOM 628 CA ALA A 140 -12.581 3.356 17.583 1.00 0.00 C ATOM 629 C ALA A 140 -11.424 4.290 17.945 1.00 0.00 C ATOM 630 O ALA A 140 -10.957 4.307 19.069 1.00 0.00 O ATOM 631 CB ALA A 140 -13.871 3.863 18.232 1.00 0.00 C ATOM 0 H ALA A 140 -11.853 1.929 18.995 1.00 0.00 H new ATOM 0 HA ALA A 140 -12.699 3.337 16.500 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -14.086 4.870 17.875 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -14.696 3.201 17.968 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -13.751 3.880 19.315 1.00 0.00 H new ATOM 637 N PHE A 141 -10.965 5.070 16.999 1.00 0.00 N ATOM 638 CA PHE A 141 -9.841 6.016 17.274 1.00 0.00 C ATOM 639 C PHE A 141 -10.155 7.370 16.635 1.00 0.00 C ATOM 640 O PHE A 141 -10.666 7.442 15.533 1.00 0.00 O ATOM 641 CB PHE A 141 -8.544 5.459 16.683 1.00 0.00 C ATOM 642 CG PHE A 141 -8.292 4.076 17.234 1.00 0.00 C ATOM 643 CD1 PHE A 141 -7.662 3.922 18.475 1.00 0.00 C ATOM 644 CD2 PHE A 141 -8.687 2.948 16.505 1.00 0.00 C ATOM 645 CE1 PHE A 141 -7.428 2.640 18.988 1.00 0.00 C ATOM 646 CE2 PHE A 141 -8.452 1.666 17.018 1.00 0.00 C ATOM 647 CZ PHE A 141 -7.823 1.512 18.258 1.00 0.00 C ATOM 0 H PHE A 141 -11.322 5.092 16.044 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.721 6.138 18.351 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -8.614 5.422 15.596 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -7.709 6.116 16.926 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -7.356 4.792 19.037 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -9.173 3.066 15.548 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.943 2.521 19.946 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -8.757 0.796 16.456 1.00 0.00 H new ATOM 0 HZ PHE A 141 -7.642 0.523 18.652 1.00 0.00 H new ATOM 657 N THR A 142 -9.859 8.444 17.323 1.00 0.00 N ATOM 658 CA THR A 142 -10.143 9.800 16.766 1.00 0.00 C ATOM 659 C THR A 142 -8.961 10.267 15.913 1.00 0.00 C ATOM 660 O THR A 142 -9.126 11.024 14.975 1.00 0.00 O ATOM 661 CB THR A 142 -10.362 10.788 17.915 1.00 0.00 C ATOM 662 OG1 THR A 142 -9.386 10.563 18.923 1.00 0.00 O ATOM 663 CG2 THR A 142 -11.760 10.590 18.502 1.00 0.00 C ATOM 0 H THR A 142 -9.432 8.439 18.249 1.00 0.00 H new ATOM 0 HA THR A 142 -11.039 9.754 16.147 1.00 0.00 H new ATOM 0 HB THR A 142 -10.270 11.807 17.540 1.00 0.00 H new ATOM 0 HG1 THR A 142 -9.524 11.196 19.659 1.00 0.00 H new ATOM 0 HG21 THR A 142 -11.914 11.294 19.320 1.00 0.00 H new ATOM 0 HG22 THR A 142 -12.508 10.763 17.728 1.00 0.00 H new ATOM 0 HG23 THR A 142 -11.856 9.571 18.877 1.00 0.00 H new ATOM 671 N ARG A 143 -7.770 9.824 16.233 1.00 0.00 N ATOM 672 CA ARG A 143 -6.574 10.243 15.445 1.00 0.00 C ATOM 673 C ARG A 143 -6.201 9.142 14.452 1.00 0.00 C ATOM 674 O ARG A 143 -6.210 7.971 14.780 1.00 0.00 O ATOM 675 CB ARG A 143 -5.400 10.494 16.394 1.00 0.00 C ATOM 676 CG ARG A 143 -5.754 11.630 17.357 1.00 0.00 C ATOM 677 CD ARG A 143 -5.224 12.960 16.811 1.00 0.00 C ATOM 678 NE ARG A 143 -4.030 13.380 17.599 1.00 0.00 N ATOM 679 CZ ARG A 143 -4.175 14.157 18.638 1.00 0.00 C ATOM 680 NH1 ARG A 143 -5.135 13.930 19.493 1.00 0.00 N ATOM 681 NH2 ARG A 143 -3.361 15.159 18.822 1.00 0.00 N ATOM 0 H ARG A 143 -7.576 9.189 17.008 1.00 0.00 H new ATOM 0 HA ARG A 143 -6.803 11.158 14.900 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -5.171 9.587 16.954 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -4.507 10.751 15.824 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -6.835 11.685 17.487 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -5.325 11.433 18.339 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -4.960 12.854 15.759 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -5.999 13.724 16.870 1.00 0.00 H new ATOM 0 HE ARG A 143 -3.100 13.060 17.326 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -5.771 13.146 19.349 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -5.249 14.537 20.305 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -2.611 15.336 18.154 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -3.475 15.766 19.634 1.00 0.00 H new ATOM 695 N ARG A 144 -5.870 9.512 13.242 1.00 0.00 N ATOM 696 CA ARG A 144 -5.491 8.494 12.219 1.00 0.00 C ATOM 697 C ARG A 144 -4.183 7.821 12.637 1.00 0.00 C ATOM 698 O ARG A 144 -4.015 6.625 12.490 1.00 0.00 O ATOM 699 CB ARG A 144 -5.302 9.176 10.862 1.00 0.00 C ATOM 700 CG ARG A 144 -5.172 8.113 9.770 1.00 0.00 C ATOM 701 CD ARG A 144 -4.501 8.723 8.538 1.00 0.00 C ATOM 702 NE ARG A 144 -3.719 7.672 7.827 1.00 0.00 N ATOM 703 CZ ARG A 144 -4.181 7.148 6.726 1.00 0.00 C ATOM 704 NH1 ARG A 144 -4.549 7.919 5.740 1.00 0.00 N ATOM 705 NH2 ARG A 144 -4.272 5.851 6.609 1.00 0.00 N ATOM 0 H ARG A 144 -5.846 10.479 12.918 1.00 0.00 H new ATOM 0 HA ARG A 144 -6.280 7.746 12.140 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -6.149 9.829 10.650 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -4.412 9.805 10.880 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -4.585 7.270 10.136 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -6.156 7.726 9.506 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -5.254 9.144 7.872 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -3.845 9.541 8.836 1.00 0.00 H new ATOM 0 HE ARG A 144 -2.822 7.363 8.202 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -4.475 8.932 5.830 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -4.910 7.508 4.879 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -3.982 5.248 7.379 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -4.633 5.441 5.748 1.00 0.00 H new ATOM 719 N ASP A 145 -3.256 8.583 13.160 1.00 0.00 N ATOM 720 CA ASP A 145 -1.951 8.002 13.597 1.00 0.00 C ATOM 721 C ASP A 145 -2.193 6.965 14.699 1.00 0.00 C ATOM 722 O ASP A 145 -1.417 6.045 14.873 1.00 0.00 O ATOM 723 CB ASP A 145 -1.052 9.116 14.136 1.00 0.00 C ATOM 724 CG ASP A 145 -1.793 9.885 15.231 1.00 0.00 C ATOM 725 OD1 ASP A 145 -1.808 9.410 16.354 1.00 0.00 O ATOM 726 OD2 ASP A 145 -2.333 10.937 14.929 1.00 0.00 O ATOM 0 H ASP A 145 -3.348 9.589 13.304 1.00 0.00 H new ATOM 0 HA ASP A 145 -1.467 7.521 12.747 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -0.130 8.693 14.534 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -0.770 9.792 13.329 1.00 0.00 H new ATOM 731 N LEU A 146 -3.262 7.109 15.441 1.00 0.00 N ATOM 732 CA LEU A 146 -3.560 6.135 16.532 1.00 0.00 C ATOM 733 C LEU A 146 -3.938 4.782 15.929 1.00 0.00 C ATOM 734 O LEU A 146 -3.402 3.756 16.301 1.00 0.00 O ATOM 735 CB LEU A 146 -4.729 6.656 17.372 1.00 0.00 C ATOM 736 CG LEU A 146 -4.195 7.500 18.531 1.00 0.00 C ATOM 737 CD1 LEU A 146 -5.368 8.128 19.284 1.00 0.00 C ATOM 738 CD2 LEU A 146 -3.397 6.606 19.485 1.00 0.00 C ATOM 0 H LEU A 146 -3.942 7.862 15.337 1.00 0.00 H new ATOM 0 HA LEU A 146 -2.677 6.018 17.160 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.397 7.254 16.752 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.314 5.820 17.757 1.00 0.00 H new ATOM 0 HG LEU A 146 -3.549 8.287 18.142 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -4.990 8.730 20.110 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -5.939 8.762 18.605 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -6.013 7.341 19.674 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -3.015 7.205 20.312 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -4.045 5.821 19.875 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -2.562 6.155 18.948 1.00 0.00 H new ATOM 750 N LEU A 147 -4.867 4.775 15.008 1.00 0.00 N ATOM 751 CA LEU A 147 -5.301 3.491 14.377 1.00 0.00 C ATOM 752 C LEU A 147 -4.114 2.813 13.688 1.00 0.00 C ATOM 753 O LEU A 147 -3.996 1.601 13.698 1.00 0.00 O ATOM 754 CB LEU A 147 -6.390 3.777 13.341 1.00 0.00 C ATOM 755 CG LEU A 147 -7.147 2.485 13.026 1.00 0.00 C ATOM 756 CD1 LEU A 147 -8.527 2.825 12.461 1.00 0.00 C ATOM 757 CD2 LEU A 147 -6.360 1.667 11.997 1.00 0.00 C ATOM 0 H LEU A 147 -5.346 5.607 14.664 1.00 0.00 H new ATOM 0 HA LEU A 147 -5.690 2.829 15.151 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -7.079 4.531 13.721 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -5.945 4.181 12.432 1.00 0.00 H new ATOM 0 HG LEU A 147 -7.263 1.902 13.940 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -9.065 1.904 12.237 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -9.088 3.404 13.195 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -8.412 3.410 11.548 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -6.900 0.747 11.773 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -6.241 2.249 11.083 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -5.378 1.422 12.401 1.00 0.00 H new ATOM 769 N ILE A 148 -3.236 3.580 13.089 1.00 0.00 N ATOM 770 CA ILE A 148 -2.060 2.971 12.397 1.00 0.00 C ATOM 771 C ILE A 148 -1.182 2.252 13.424 1.00 0.00 C ATOM 772 O ILE A 148 -0.975 1.060 13.342 1.00 0.00 O ATOM 773 CB ILE A 148 -1.244 4.062 11.694 1.00 0.00 C ATOM 774 CG1 ILE A 148 -2.145 4.829 10.721 1.00 0.00 C ATOM 775 CG2 ILE A 148 -0.095 3.416 10.913 1.00 0.00 C ATOM 776 CD1 ILE A 148 -1.476 6.152 10.339 1.00 0.00 C ATOM 0 H ILE A 148 -3.283 4.598 13.050 1.00 0.00 H new ATOM 0 HA ILE A 148 -2.411 2.256 11.653 1.00 0.00 H new ATOM 0 HB ILE A 148 -0.842 4.749 12.439 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -2.327 4.230 9.828 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -3.115 5.019 11.180 1.00 0.00 H new ATOM 0 HG21 ILE A 148 0.486 4.191 10.413 1.00 0.00 H new ATOM 0 HG22 ILE A 148 0.549 2.867 11.600 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -0.501 2.730 10.170 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -2.117 6.697 9.647 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -1.317 6.751 11.235 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -0.517 5.950 9.863 1.00 0.00 H new ATOM 788 N ARG A 149 -0.664 2.971 14.388 1.00 0.00 N ATOM 789 CA ARG A 149 0.209 2.342 15.430 1.00 0.00 C ATOM 790 C ARG A 149 -0.534 1.188 16.124 1.00 0.00 C ATOM 791 O ARG A 149 0.077 0.301 16.688 1.00 0.00 O ATOM 792 CB ARG A 149 0.592 3.403 16.470 1.00 0.00 C ATOM 793 CG ARG A 149 1.559 2.806 17.506 1.00 0.00 C ATOM 794 CD ARG A 149 0.884 2.752 18.882 1.00 0.00 C ATOM 795 NE ARG A 149 1.397 3.862 19.733 1.00 0.00 N ATOM 796 CZ ARG A 149 1.320 3.776 21.033 1.00 0.00 C ATOM 797 NH1 ARG A 149 1.842 2.753 21.651 1.00 0.00 N ATOM 798 NH2 ARG A 149 0.721 4.715 21.714 1.00 0.00 N ATOM 0 H ARG A 149 -0.809 3.974 14.500 1.00 0.00 H new ATOM 0 HA ARG A 149 1.106 1.945 14.954 1.00 0.00 H new ATOM 0 HB2 ARG A 149 1.058 4.256 15.976 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -0.303 3.774 16.969 1.00 0.00 H new ATOM 0 HG2 ARG A 149 1.860 1.804 17.200 1.00 0.00 H new ATOM 0 HG3 ARG A 149 2.465 3.409 17.560 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -0.197 2.835 18.772 1.00 0.00 H new ATOM 0 HD3 ARG A 149 1.083 1.792 19.359 1.00 0.00 H new ATOM 0 HE ARG A 149 1.808 4.689 19.300 1.00 0.00 H new ATOM 0 HH11 ARG A 149 2.310 2.020 21.118 1.00 0.00 H new ATOM 0 HH12 ARG A 149 1.782 2.686 22.667 1.00 0.00 H new ATOM 0 HH21 ARG A 149 0.314 5.515 21.230 1.00 0.00 H new ATOM 0 HH22 ARG A 149 0.660 4.649 22.730 1.00 0.00 H new ATOM 812 N HIS A 150 -1.842 1.197 16.085 1.00 0.00 N ATOM 813 CA HIS A 150 -2.629 0.109 16.738 1.00 0.00 C ATOM 814 C HIS A 150 -2.437 -1.195 15.948 1.00 0.00 C ATOM 815 O HIS A 150 -2.082 -2.219 16.502 1.00 0.00 O ATOM 816 CB HIS A 150 -4.114 0.524 16.756 1.00 0.00 C ATOM 817 CG HIS A 150 -4.995 -0.621 17.194 1.00 0.00 C ATOM 818 ND1 HIS A 150 -4.626 -1.500 18.200 1.00 0.00 N ATOM 819 CD2 HIS A 150 -6.225 -1.043 16.760 1.00 0.00 C ATOM 820 CE1 HIS A 150 -5.618 -2.399 18.335 1.00 0.00 C ATOM 821 NE2 HIS A 150 -6.618 -2.167 17.480 1.00 0.00 N ATOM 0 H HIS A 150 -2.401 1.916 15.626 1.00 0.00 H new ATOM 0 HA HIS A 150 -2.290 -0.053 17.761 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.250 1.370 17.430 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -4.413 0.857 15.762 1.00 0.00 H new ATOM 0 HD1 HIS A 150 -3.761 -1.471 18.739 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -6.802 -0.574 15.977 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -5.607 -3.210 19.048 1.00 0.00 H new ATOM 829 N ALA A 151 -2.682 -1.164 14.664 1.00 0.00 N ATOM 830 CA ALA A 151 -2.531 -2.398 13.835 1.00 0.00 C ATOM 831 C ALA A 151 -1.049 -2.704 13.575 1.00 0.00 C ATOM 832 O ALA A 151 -0.708 -3.787 13.137 1.00 0.00 O ATOM 833 CB ALA A 151 -3.248 -2.197 12.498 1.00 0.00 C ATOM 0 H ALA A 151 -2.981 -0.334 14.152 1.00 0.00 H new ATOM 0 HA ALA A 151 -2.969 -3.237 14.375 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -3.141 -3.095 11.889 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -4.306 -2.005 12.678 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -2.809 -1.348 11.974 1.00 0.00 H new ATOM 839 N GLN A 152 -0.164 -1.769 13.832 1.00 0.00 N ATOM 840 CA GLN A 152 1.288 -2.021 13.590 1.00 0.00 C ATOM 841 C GLN A 152 1.940 -2.597 14.852 1.00 0.00 C ATOM 842 O GLN A 152 2.958 -3.259 14.782 1.00 0.00 O ATOM 843 CB GLN A 152 1.986 -0.709 13.216 1.00 0.00 C ATOM 844 CG GLN A 152 1.221 0.000 12.086 1.00 0.00 C ATOM 845 CD GLN A 152 2.050 -0.024 10.799 1.00 0.00 C ATOM 846 OE1 GLN A 152 1.572 -0.442 9.762 1.00 0.00 O ATOM 847 NE2 GLN A 152 3.280 0.410 10.821 1.00 0.00 N ATOM 0 H GLN A 152 -0.387 -0.844 14.199 1.00 0.00 H new ATOM 0 HA GLN A 152 1.389 -2.736 12.773 1.00 0.00 H new ATOM 0 HB2 GLN A 152 2.044 -0.059 14.089 1.00 0.00 H new ATOM 0 HB3 GLN A 152 3.010 -0.911 12.900 1.00 0.00 H new ATOM 0 HG2 GLN A 152 0.262 -0.491 11.920 1.00 0.00 H new ATOM 0 HG3 GLN A 152 1.006 1.030 12.371 1.00 0.00 H new ATOM 0 HE21 GLN A 152 3.682 0.761 11.691 1.00 0.00 H new ATOM 0 HE22 GLN A 152 3.840 0.399 9.969 1.00 0.00 H new ATOM 856 N LYS A 153 1.371 -2.338 16.005 1.00 0.00 N ATOM 857 CA LYS A 153 1.968 -2.857 17.272 1.00 0.00 C ATOM 858 C LYS A 153 1.374 -4.226 17.616 1.00 0.00 C ATOM 859 O LYS A 153 2.085 -5.139 17.993 1.00 0.00 O ATOM 860 CB LYS A 153 1.674 -1.876 18.409 1.00 0.00 C ATOM 861 CG LYS A 153 2.740 -0.777 18.425 1.00 0.00 C ATOM 862 CD LYS A 153 4.039 -1.338 19.008 1.00 0.00 C ATOM 863 CE LYS A 153 4.013 -1.209 20.532 1.00 0.00 C ATOM 864 NZ LYS A 153 4.673 0.064 20.935 1.00 0.00 N ATOM 0 H LYS A 153 0.519 -1.789 16.121 1.00 0.00 H new ATOM 0 HA LYS A 153 3.045 -2.961 17.141 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.685 -1.436 18.277 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.664 -2.402 19.364 1.00 0.00 H new ATOM 0 HG2 LYS A 153 2.912 -0.407 17.414 1.00 0.00 H new ATOM 0 HG3 LYS A 153 2.397 0.069 19.020 1.00 0.00 H new ATOM 0 HD2 LYS A 153 4.156 -2.384 18.723 1.00 0.00 H new ATOM 0 HD3 LYS A 153 4.895 -0.799 18.602 1.00 0.00 H new ATOM 0 HE2 LYS A 153 2.984 -1.227 20.891 1.00 0.00 H new ATOM 0 HE3 LYS A 153 4.525 -2.056 20.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 4.655 0.151 21.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 5.659 0.064 20.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 4.166 0.867 20.511 1.00 0.00 H new ATOM 878 N ILE A 154 0.077 -4.372 17.504 1.00 0.00 N ATOM 879 CA ILE A 154 -0.566 -5.679 17.837 1.00 0.00 C ATOM 880 C ILE A 154 -0.844 -6.467 16.555 1.00 0.00 C ATOM 881 O ILE A 154 -0.390 -7.585 16.395 1.00 0.00 O ATOM 882 CB ILE A 154 -1.881 -5.425 18.576 1.00 0.00 C ATOM 883 CG1 ILE A 154 -1.621 -4.519 19.782 1.00 0.00 C ATOM 884 CG2 ILE A 154 -2.466 -6.755 19.056 1.00 0.00 C ATOM 885 CD1 ILE A 154 -1.724 -3.055 19.353 1.00 0.00 C ATOM 0 H ILE A 154 -0.564 -3.641 17.196 1.00 0.00 H new ATOM 0 HA ILE A 154 0.106 -6.257 18.472 1.00 0.00 H new ATOM 0 HB ILE A 154 -2.587 -4.941 17.901 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -2.343 -4.729 20.571 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -0.632 -4.719 20.194 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -3.403 -6.572 19.582 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -2.652 -7.401 18.198 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -1.760 -7.241 19.730 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -1.539 -2.410 20.212 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -0.984 -2.850 18.579 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -2.722 -2.860 18.962 1.00 0.00 H new ATOM 897 N HIS A 155 -1.592 -5.895 15.646 1.00 0.00 N ATOM 898 CA HIS A 155 -1.911 -6.608 14.372 1.00 0.00 C ATOM 899 C HIS A 155 -0.666 -6.692 13.473 1.00 0.00 C ATOM 900 O HIS A 155 -0.685 -7.363 12.459 1.00 0.00 O ATOM 901 CB HIS A 155 -3.021 -5.857 13.632 1.00 0.00 C ATOM 902 CG HIS A 155 -4.199 -5.666 14.546 1.00 0.00 C ATOM 903 ND1 HIS A 155 -4.653 -6.668 15.390 1.00 0.00 N ATOM 904 CD2 HIS A 155 -5.029 -4.593 14.761 1.00 0.00 C ATOM 905 CE1 HIS A 155 -5.709 -6.183 16.067 1.00 0.00 C ATOM 906 NE2 HIS A 155 -5.981 -4.921 15.722 1.00 0.00 N ATOM 0 H HIS A 155 -1.997 -4.963 15.731 1.00 0.00 H new ATOM 0 HA HIS A 155 -2.241 -7.619 14.611 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -2.653 -4.890 13.290 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -3.323 -6.415 12.746 1.00 0.00 H new ATOM 0 HD1 HIS A 155 -4.258 -7.604 15.481 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -4.954 -3.639 14.260 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -6.269 -6.745 16.800 1.00 0.00 H new ATOM 914 N SER A 156 0.409 -6.021 13.827 1.00 0.00 N ATOM 915 CA SER A 156 1.649 -6.064 12.989 1.00 0.00 C ATOM 916 C SER A 156 1.366 -5.429 11.622 1.00 0.00 C ATOM 917 O SER A 156 0.521 -5.888 10.877 1.00 0.00 O ATOM 918 CB SER A 156 2.125 -7.517 12.822 1.00 0.00 C ATOM 919 OG SER A 156 1.525 -8.107 11.672 1.00 0.00 O ATOM 0 H SER A 156 0.478 -5.444 14.665 1.00 0.00 H new ATOM 0 HA SER A 156 2.440 -5.500 13.484 1.00 0.00 H new ATOM 0 HB2 SER A 156 3.211 -7.542 12.727 1.00 0.00 H new ATOM 0 HB3 SER A 156 1.869 -8.095 13.710 1.00 0.00 H new ATOM 0 HG SER A 156 0.662 -7.677 11.497 1.00 0.00 H new ATOM 925 N GLY A 157 2.068 -4.373 11.295 1.00 0.00 N ATOM 926 CA GLY A 157 1.844 -3.697 9.984 1.00 0.00 C ATOM 927 C GLY A 157 3.022 -2.772 9.671 1.00 0.00 C ATOM 928 O GLY A 157 3.853 -2.503 10.517 1.00 0.00 O ATOM 0 H GLY A 157 2.787 -3.950 11.882 1.00 0.00 H new ATOM 0 HA2 GLY A 157 1.734 -4.441 9.195 1.00 0.00 H new ATOM 0 HA3 GLY A 157 0.917 -3.124 10.013 1.00 0.00 H new ATOM 932 N ASN A 158 3.093 -2.286 8.459 1.00 0.00 N ATOM 933 CA ASN A 158 4.210 -1.375 8.074 1.00 0.00 C ATOM 934 C ASN A 158 3.643 -0.164 7.327 1.00 0.00 C ATOM 935 O ASN A 158 4.014 0.965 7.589 1.00 0.00 O ATOM 936 CB ASN A 158 5.188 -2.123 7.166 1.00 0.00 C ATOM 937 CG ASN A 158 6.411 -1.245 6.898 1.00 0.00 C ATOM 938 OD1 ASN A 158 7.452 -1.434 7.495 1.00 0.00 O ATOM 939 ND2 ASN A 158 6.328 -0.285 6.018 1.00 0.00 N ATOM 0 H ASN A 158 2.422 -2.482 7.716 1.00 0.00 H new ATOM 0 HA ASN A 158 4.732 -1.039 8.970 1.00 0.00 H new ATOM 0 HB2 ASN A 158 5.494 -3.058 7.636 1.00 0.00 H new ATOM 0 HB3 ASN A 158 4.701 -2.383 6.226 1.00 0.00 H new ATOM 0 HD21 ASN A 158 7.137 0.307 5.831 1.00 0.00 H new ATOM 0 HD22 ASN A 158 5.454 -0.127 5.517 1.00 0.00 H new ATOM 946 N LEU A 159 2.747 -0.395 6.402 1.00 0.00 N ATOM 947 CA LEU A 159 2.147 0.736 5.632 1.00 0.00 C ATOM 948 C LEU A 159 0.655 0.470 5.420 1.00 0.00 C ATOM 949 O LEU A 159 -0.189 1.160 5.960 1.00 0.00 O ATOM 950 CB LEU A 159 2.844 0.856 4.274 1.00 0.00 C ATOM 951 CG LEU A 159 3.954 1.903 4.359 1.00 0.00 C ATOM 952 CD1 LEU A 159 5.052 1.567 3.347 1.00 0.00 C ATOM 953 CD2 LEU A 159 3.376 3.284 4.043 1.00 0.00 C ATOM 0 H LEU A 159 2.404 -1.321 6.146 1.00 0.00 H new ATOM 0 HA LEU A 159 2.276 1.665 6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 159 3.261 -0.108 3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 159 2.122 1.138 3.507 1.00 0.00 H new ATOM 0 HG LEU A 159 4.375 1.905 5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 159 5.844 2.314 3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 159 5.464 0.583 3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 159 4.632 1.565 2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 159 4.167 4.032 4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 159 2.955 3.281 3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 159 2.594 3.524 4.763 1.00 0.00 H new ATOM 965 N GLY A 160 0.327 -0.527 4.639 1.00 0.00 N ATOM 966 CA GLY A 160 -1.109 -0.848 4.384 1.00 0.00 C ATOM 967 C GLY A 160 -1.729 0.240 3.504 1.00 0.00 C ATOM 968 O GLY A 160 -1.116 1.256 3.236 1.00 0.00 O ATOM 0 H GLY A 160 0.995 -1.135 4.165 1.00 0.00 H new ATOM 0 HA2 GLY A 160 -1.194 -1.818 3.895 1.00 0.00 H new ATOM 0 HA3 GLY A 160 -1.650 -0.919 5.328 1.00 0.00 H new ATOM 972 N GLU A 161 -2.941 0.031 3.053 1.00 0.00 N ATOM 973 CA GLU A 161 -3.610 1.047 2.189 1.00 0.00 C ATOM 974 C GLU A 161 -5.127 0.962 2.380 1.00 0.00 C ATOM 975 O GLU A 161 -5.823 1.790 1.816 1.00 0.00 O ATOM 976 CB GLU A 161 -3.261 0.784 0.722 1.00 0.00 C ATOM 977 CG GLU A 161 -3.643 -0.652 0.348 1.00 0.00 C ATOM 978 CD GLU A 161 -5.081 -0.677 -0.172 1.00 0.00 C ATOM 979 OE1 GLU A 161 -5.420 0.189 -0.963 1.00 0.00 O ATOM 980 OE2 GLU A 161 -5.820 -1.562 0.228 1.00 0.00 O ATOM 981 OXT GLU A 161 -5.565 0.068 3.087 1.00 0.00 O ATOM 0 H GLU A 161 -3.496 -0.802 3.248 1.00 0.00 H new ATOM 0 HA GLU A 161 -3.265 2.043 2.468 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -3.789 1.490 0.081 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -2.195 0.941 0.558 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -2.963 -1.034 -0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -3.548 -1.303 1.217 1.00 0.00 H new TER 988 GLU A 161 HETATM 989 ZN ZN A 162 -7.317 -3.430 16.000 1.00 0.00 ZN HETATM 990 ZN ZN A 163 -25.578 20.035 15.686 1.00 0.00 ZN