USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 824 hydrogens (20 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 43 HIS HE2 : A 43 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD Set 1.1: A 53 GLN : amide:sc= -9.75! C(o=-19!,f=-27!) USER MOD Set 1.2: A 105 HEM CMC :methyl 150:sc= -9.52! (180deg=-6.06!) USER MOD Set 2.1: A 75 SER OG : rot 92:sc=-0.00203 USER MOD Set 2.2: A 105 HEM CMB :methyl 150:sc= -5.23! (180deg=-5.23!) USER MOD Set 3.1: A 31 TYR OH : rot 15:sc= -1.26 USER MOD Set 3.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 30 HIS : no HE2:sc= -3.63! C(o=-3.9!,f=-11!) USER MOD Set 4.2: A 34 TYR OH : rot 23:sc= -0.3 USER MOD Set 5.1: A 25 THR OG1 : rot -54:sc= 0.946 USER MOD Set 5.2: A 37 THR OG1 : rot -110:sc= 1.01 USER MOD Single : A 1 ALA N :NH3+ -178:sc= 0 (180deg=-0.0101) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot -149:sc= 1.46 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.211 USER MOD Single : A 17 GLN : amide:sc= -0.215 K(o=-0.21,f=-1.1) USER MOD Single : A 18 LYS NZ :NH3+ -160:sc= -0.0166 (180deg=-0.176) USER MOD Single : A 19 HIS : no HE2:sc= -21.4! C(o=-21!,f=-25!) USER MOD Single : A 20 ASN :FLIP amide:sc= -4.78! C(o=-6.2!,f=-4.8!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.089 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0495 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -130:sc= -0.195 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 68 SER OG : rot -94:sc= 1.05 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -165:sc= -0.272 (180deg=-0.586) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -12! C(o=-14!,f=-12!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.473 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 38:sc= 0.764 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -5.04! (180deg=-5.04!) USER MOD Single : A 105 HEM CMD :methyl -30:sc= 0 (180deg=-0.211) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 30.027 2.434 -29.826 1.00 0.00 N ATOM 2 CA ALA A 1 31.190 1.867 -30.486 1.00 0.00 C ATOM 3 C ALA A 1 30.782 0.587 -31.220 1.00 0.00 C ATOM 4 O ALA A 1 31.036 0.444 -32.415 1.00 0.00 O ATOM 5 CB ALA A 1 32.293 1.621 -29.455 1.00 0.00 C ATOM 0 H1 ALA A 1 30.294 3.322 -29.355 1.00 0.00 H new ATOM 0 H2 ALA A 1 29.287 2.625 -30.531 1.00 0.00 H new ATOM 0 H3 ALA A 1 29.667 1.762 -29.119 1.00 0.00 H new ATOM 0 HA ALA A 1 31.586 2.561 -31.228 1.00 0.00 H new ATOM 0 HB1 ALA A 1 33.166 1.195 -29.950 1.00 0.00 H new ATOM 0 HB2 ALA A 1 32.567 2.565 -28.984 1.00 0.00 H new ATOM 0 HB3 ALA A 1 31.933 0.927 -28.695 1.00 0.00 H new ATOM 11 N GLU A 2 30.155 -0.311 -30.473 1.00 0.00 N ATOM 12 CA GLU A 2 29.709 -1.573 -31.036 1.00 0.00 C ATOM 13 C GLU A 2 28.749 -2.274 -30.074 1.00 0.00 C ATOM 14 O GLU A 2 29.136 -3.212 -29.379 1.00 0.00 O ATOM 15 CB GLU A 2 30.899 -2.473 -31.377 1.00 0.00 C ATOM 16 CG GLU A 2 30.501 -3.552 -32.384 1.00 0.00 C ATOM 17 CD GLU A 2 31.594 -4.614 -32.512 1.00 0.00 C ATOM 18 OE1 GLU A 2 31.734 -5.403 -31.553 1.00 0.00 O ATOM 19 OE2 GLU A 2 32.267 -4.613 -33.566 1.00 0.00 O ATOM 0 H GLU A 2 29.946 -0.189 -29.482 1.00 0.00 H new ATOM 0 HA GLU A 2 29.175 -1.366 -31.964 1.00 0.00 H new ATOM 0 HB2 GLU A 2 31.710 -1.870 -31.786 1.00 0.00 H new ATOM 0 HB3 GLU A 2 31.277 -2.941 -30.468 1.00 0.00 H new ATOM 0 HG2 GLU A 2 29.569 -4.021 -32.070 1.00 0.00 H new ATOM 0 HG3 GLU A 2 30.317 -3.096 -33.357 1.00 0.00 H new ATOM 26 N GLU A 3 27.515 -1.794 -30.065 1.00 0.00 N ATOM 27 CA GLU A 3 26.496 -2.362 -29.199 1.00 0.00 C ATOM 28 C GLU A 3 25.171 -1.617 -29.377 1.00 0.00 C ATOM 29 O GLU A 3 25.136 -0.540 -29.970 1.00 0.00 O ATOM 30 CB GLU A 3 26.945 -2.342 -27.737 1.00 0.00 C ATOM 31 CG GLU A 3 26.453 -3.586 -26.994 1.00 0.00 C ATOM 32 CD GLU A 3 25.546 -3.203 -25.824 1.00 0.00 C ATOM 33 OE1 GLU A 3 25.947 -2.290 -25.069 1.00 0.00 O ATOM 34 OE2 GLU A 3 24.471 -3.832 -25.709 1.00 0.00 O ATOM 0 H GLU A 3 27.197 -1.017 -30.644 1.00 0.00 H new ATOM 0 HA GLU A 3 26.345 -3.403 -29.484 1.00 0.00 H new ATOM 0 HB2 GLU A 3 28.033 -2.291 -27.688 1.00 0.00 H new ATOM 0 HB3 GLU A 3 26.562 -1.447 -27.248 1.00 0.00 H new ATOM 0 HG2 GLU A 3 25.910 -4.234 -27.682 1.00 0.00 H new ATOM 0 HG3 GLU A 3 27.306 -4.155 -26.626 1.00 0.00 H new ATOM 41 N SER A 4 24.115 -2.220 -28.853 1.00 0.00 N ATOM 42 CA SER A 4 22.791 -1.627 -28.946 1.00 0.00 C ATOM 43 C SER A 4 21.797 -2.431 -28.107 1.00 0.00 C ATOM 44 O SER A 4 21.994 -3.625 -27.879 1.00 0.00 O ATOM 45 CB SER A 4 22.322 -1.554 -30.400 1.00 0.00 C ATOM 46 OG SER A 4 21.926 -2.829 -30.899 1.00 0.00 O ATOM 0 H SER A 4 24.148 -3.114 -28.362 1.00 0.00 H new ATOM 0 HA SER A 4 22.844 -0.610 -28.558 1.00 0.00 H new ATOM 0 HB2 SER A 4 21.486 -0.859 -30.476 1.00 0.00 H new ATOM 0 HB3 SER A 4 23.125 -1.156 -31.020 1.00 0.00 H new ATOM 0 HG SER A 4 21.632 -2.739 -31.829 1.00 0.00 H new ATOM 52 N SER A 5 20.751 -1.747 -27.670 1.00 0.00 N ATOM 53 CA SER A 5 19.725 -2.383 -26.861 1.00 0.00 C ATOM 54 C SER A 5 18.614 -1.381 -26.541 1.00 0.00 C ATOM 55 O SER A 5 18.884 -0.204 -26.307 1.00 0.00 O ATOM 56 CB SER A 5 20.316 -2.952 -25.569 1.00 0.00 C ATOM 57 OG SER A 5 20.515 -1.941 -24.584 1.00 0.00 O ATOM 0 H SER A 5 20.591 -0.758 -27.861 1.00 0.00 H new ATOM 0 HA SER A 5 19.304 -3.211 -27.432 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.651 -3.719 -25.173 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.267 -3.437 -25.788 1.00 0.00 H new ATOM 0 HG SER A 5 20.892 -2.343 -23.774 1.00 0.00 H new ATOM 63 N LYS A 6 17.389 -1.884 -26.540 1.00 0.00 N ATOM 64 CA LYS A 6 16.236 -1.047 -26.253 1.00 0.00 C ATOM 65 C LYS A 6 14.989 -1.927 -26.137 1.00 0.00 C ATOM 66 O LYS A 6 15.061 -3.140 -26.323 1.00 0.00 O ATOM 67 CB LYS A 6 16.109 0.066 -27.294 1.00 0.00 C ATOM 68 CG LYS A 6 15.707 -0.501 -28.657 1.00 0.00 C ATOM 69 CD LYS A 6 15.804 0.569 -29.747 1.00 0.00 C ATOM 70 CE LYS A 6 15.310 0.029 -31.091 1.00 0.00 C ATOM 71 NZ LYS A 6 16.125 0.574 -32.199 1.00 0.00 N ATOM 0 H LYS A 6 17.169 -2.861 -26.733 1.00 0.00 H new ATOM 0 HA LYS A 6 16.361 -0.542 -25.295 1.00 0.00 H new ATOM 0 HB2 LYS A 6 15.366 0.793 -26.965 1.00 0.00 H new ATOM 0 HB3 LYS A 6 17.057 0.596 -27.382 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.353 -1.342 -28.910 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.688 -0.885 -28.609 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.213 1.439 -29.461 1.00 0.00 H new ATOM 0 HD3 LYS A 6 16.837 0.903 -29.843 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.363 -1.060 -31.094 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.263 0.298 -31.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.777 0.198 -33.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 16.053 1.612 -32.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 17.119 0.296 -32.068 1.00 0.00 H new ATOM 85 N ALA A 7 13.875 -1.280 -25.829 1.00 0.00 N ATOM 86 CA ALA A 7 12.613 -1.987 -25.686 1.00 0.00 C ATOM 87 C ALA A 7 12.664 -2.861 -24.432 1.00 0.00 C ATOM 88 O ALA A 7 13.128 -3.999 -24.481 1.00 0.00 O ATOM 89 CB ALA A 7 12.338 -2.801 -26.952 1.00 0.00 C ATOM 0 H ALA A 7 13.820 -0.273 -25.674 1.00 0.00 H new ATOM 0 HA ALA A 7 11.790 -1.283 -25.565 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.392 -3.331 -26.845 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.284 -2.131 -27.810 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.142 -3.521 -27.104 1.00 0.00 H new ATOM 95 N VAL A 8 12.179 -2.296 -23.336 1.00 0.00 N ATOM 96 CA VAL A 8 12.162 -3.009 -22.070 1.00 0.00 C ATOM 97 C VAL A 8 11.839 -4.483 -22.324 1.00 0.00 C ATOM 98 O VAL A 8 12.616 -5.364 -21.960 1.00 0.00 O ATOM 99 CB VAL A 8 11.182 -2.340 -21.105 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.183 -1.461 -21.861 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.456 -3.381 -20.250 1.00 0.00 C ATOM 0 H VAL A 8 11.795 -1.352 -23.299 1.00 0.00 H new ATOM 0 HA VAL A 8 13.143 -2.968 -21.596 1.00 0.00 H new ATOM 0 HB VAL A 8 11.756 -1.699 -20.437 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.497 -0.997 -21.152 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.721 -0.686 -22.407 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.618 -2.074 -22.564 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.765 -2.878 -19.573 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.900 -4.060 -20.897 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.185 -3.948 -19.670 1.00 0.00 H new ATOM 111 N LYS A 9 10.692 -4.705 -22.948 1.00 0.00 N ATOM 112 CA LYS A 9 10.257 -6.057 -23.256 1.00 0.00 C ATOM 113 C LYS A 9 9.746 -6.727 -21.978 1.00 0.00 C ATOM 114 O LYS A 9 8.581 -7.114 -21.899 1.00 0.00 O ATOM 115 CB LYS A 9 11.374 -6.834 -23.953 1.00 0.00 C ATOM 116 CG LYS A 9 10.893 -7.411 -25.286 1.00 0.00 C ATOM 117 CD LYS A 9 12.065 -7.619 -26.248 1.00 0.00 C ATOM 118 CE LYS A 9 11.566 -7.885 -27.670 1.00 0.00 C ATOM 119 NZ LYS A 9 11.122 -9.289 -27.810 1.00 0.00 N ATOM 0 H LYS A 9 10.050 -3.971 -23.249 1.00 0.00 H new ATOM 0 HA LYS A 9 9.426 -6.038 -23.961 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.227 -6.177 -24.124 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.718 -7.641 -23.306 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.386 -8.361 -25.114 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.164 -6.737 -25.736 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.706 -6.737 -26.242 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.674 -8.457 -25.909 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.741 -7.212 -27.904 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.361 -7.676 -28.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.787 -9.452 -28.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.918 -9.927 -27.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.349 -9.477 -27.141 1.00 0.00 H new ATOM 133 N TYR A 10 10.643 -6.842 -21.009 1.00 0.00 N ATOM 134 CA TYR A 10 10.298 -7.458 -19.739 1.00 0.00 C ATOM 135 C TYR A 10 10.870 -6.658 -18.568 1.00 0.00 C ATOM 136 O TYR A 10 12.078 -6.440 -18.493 1.00 0.00 O ATOM 137 CB TYR A 10 10.941 -8.846 -19.756 1.00 0.00 C ATOM 138 CG TYR A 10 11.862 -9.092 -20.953 1.00 0.00 C ATOM 139 CD1 TYR A 10 13.154 -8.607 -20.939 1.00 0.00 C ATOM 140 CD2 TYR A 10 11.401 -9.798 -22.045 1.00 0.00 C ATOM 141 CE1 TYR A 10 14.020 -8.837 -22.067 1.00 0.00 C ATOM 142 CE2 TYR A 10 12.268 -10.029 -23.172 1.00 0.00 C ATOM 143 CZ TYR A 10 13.534 -9.537 -23.126 1.00 0.00 C ATOM 144 OH TYR A 10 14.354 -9.755 -24.190 1.00 0.00 O ATOM 0 H TYR A 10 11.608 -6.519 -21.078 1.00 0.00 H new ATOM 0 HA TYR A 10 9.216 -7.500 -19.614 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.512 -8.982 -18.838 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.154 -9.600 -19.756 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.515 -8.056 -20.083 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.390 -10.178 -22.055 1.00 0.00 H new ATOM 0 HE1 TYR A 10 15.033 -8.462 -22.071 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.920 -10.580 -24.033 1.00 0.00 H new ATOM 0 HH TYR A 10 13.874 -10.269 -24.873 1.00 0.00 H new ATOM 154 N TYR A 11 9.976 -6.242 -17.684 1.00 0.00 N ATOM 155 CA TYR A 11 10.377 -5.470 -16.520 1.00 0.00 C ATOM 156 C TYR A 11 9.824 -6.089 -15.235 1.00 0.00 C ATOM 157 O TYR A 11 8.958 -6.962 -15.284 1.00 0.00 O ATOM 158 CB TYR A 11 9.766 -4.078 -16.706 1.00 0.00 C ATOM 159 CG TYR A 11 10.794 -2.984 -17.001 1.00 0.00 C ATOM 160 CD1 TYR A 11 12.085 -3.103 -16.530 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.428 -1.877 -17.741 1.00 0.00 C ATOM 162 CE1 TYR A 11 13.051 -2.072 -16.808 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.394 -0.846 -18.019 1.00 0.00 C ATOM 164 CZ TYR A 11 12.658 -0.995 -17.539 1.00 0.00 C ATOM 165 OH TYR A 11 13.571 -0.021 -17.803 1.00 0.00 O ATOM 0 H TYR A 11 8.975 -6.425 -17.750 1.00 0.00 H new ATOM 0 HA TYR A 11 11.463 -5.442 -16.434 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.045 -4.115 -17.522 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.214 -3.811 -15.805 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.371 -3.970 -15.953 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.418 -1.785 -18.111 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.065 -2.152 -16.444 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.121 0.026 -18.595 1.00 0.00 H new ATOM 0 HH TYR A 11 13.116 0.845 -17.868 1.00 0.00 H new ATOM 175 N THR A 12 10.346 -5.612 -14.115 1.00 0.00 N ATOM 176 CA THR A 12 9.915 -6.108 -12.818 1.00 0.00 C ATOM 177 C THR A 12 9.026 -5.076 -12.121 1.00 0.00 C ATOM 178 O THR A 12 9.128 -3.880 -12.392 1.00 0.00 O ATOM 179 CB THR A 12 11.164 -6.476 -12.015 1.00 0.00 C ATOM 180 OG1 THR A 12 11.817 -5.228 -11.797 1.00 0.00 O ATOM 181 CG2 THR A 12 12.170 -7.286 -12.834 1.00 0.00 C ATOM 0 H THR A 12 11.063 -4.888 -14.078 1.00 0.00 H new ATOM 0 HA THR A 12 9.301 -7.003 -12.920 1.00 0.00 H new ATOM 0 HB THR A 12 10.873 -7.046 -11.133 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.637 -5.374 -11.281 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.037 -7.520 -12.217 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.703 -8.212 -13.171 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.487 -6.704 -13.699 1.00 0.00 H new ATOM 189 N LEU A 13 8.174 -5.576 -11.238 1.00 0.00 N ATOM 190 CA LEU A 13 7.267 -4.713 -10.500 1.00 0.00 C ATOM 191 C LEU A 13 8.046 -3.516 -9.949 1.00 0.00 C ATOM 192 O LEU A 13 7.538 -2.396 -9.931 1.00 0.00 O ATOM 193 CB LEU A 13 6.523 -5.509 -9.427 1.00 0.00 C ATOM 194 CG LEU A 13 5.053 -5.816 -9.720 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.435 -6.657 -8.601 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.264 -4.529 -9.971 1.00 0.00 C ATOM 0 H LEU A 13 8.093 -6.568 -11.017 1.00 0.00 H new ATOM 0 HA LEU A 13 6.496 -4.317 -11.161 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.047 -6.452 -9.273 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.579 -4.957 -8.489 1.00 0.00 H new ATOM 0 HG LEU A 13 5.003 -6.408 -10.634 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.390 -6.861 -8.834 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.977 -7.598 -8.511 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.497 -6.112 -7.659 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.222 -4.775 -10.177 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.319 -3.891 -9.089 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.688 -4.003 -10.826 1.00 0.00 H new ATOM 208 N GLU A 14 9.266 -3.794 -9.513 1.00 0.00 N ATOM 209 CA GLU A 14 10.118 -2.755 -8.962 1.00 0.00 C ATOM 210 C GLU A 14 10.487 -1.741 -10.046 1.00 0.00 C ATOM 211 O GLU A 14 10.322 -0.536 -9.857 1.00 0.00 O ATOM 212 CB GLU A 14 11.374 -3.356 -8.325 1.00 0.00 C ATOM 213 CG GLU A 14 11.488 -2.951 -6.854 1.00 0.00 C ATOM 214 CD GLU A 14 10.457 -3.692 -5.999 1.00 0.00 C ATOM 215 OE1 GLU A 14 9.252 -3.484 -6.255 1.00 0.00 O ATOM 216 OE2 GLU A 14 10.899 -4.451 -5.109 1.00 0.00 O ATOM 0 H GLU A 14 9.684 -4.724 -9.530 1.00 0.00 H new ATOM 0 HA GLU A 14 9.565 -2.237 -8.179 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.343 -4.443 -8.406 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.258 -3.021 -8.868 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.492 -3.169 -6.490 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.341 -1.875 -6.757 1.00 0.00 H new ATOM 223 N GLU A 15 10.978 -2.264 -11.160 1.00 0.00 N ATOM 224 CA GLU A 15 11.371 -1.419 -12.275 1.00 0.00 C ATOM 225 C GLU A 15 10.242 -0.449 -12.630 1.00 0.00 C ATOM 226 O GLU A 15 10.492 0.719 -12.918 1.00 0.00 O ATOM 227 CB GLU A 15 11.771 -2.263 -13.488 1.00 0.00 C ATOM 228 CG GLU A 15 13.220 -2.739 -13.371 1.00 0.00 C ATOM 229 CD GLU A 15 14.180 -1.733 -14.008 1.00 0.00 C ATOM 230 OE1 GLU A 15 13.691 -0.652 -14.401 1.00 0.00 O ATOM 231 OE2 GLU A 15 15.382 -2.068 -14.087 1.00 0.00 O ATOM 0 H GLU A 15 11.113 -3.263 -11.314 1.00 0.00 H new ATOM 0 HA GLU A 15 12.242 -0.837 -11.975 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.107 -3.124 -13.571 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.649 -1.677 -14.399 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.477 -2.878 -12.321 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.328 -3.709 -13.857 1.00 0.00 H new ATOM 238 N ILE A 16 9.024 -0.971 -12.596 1.00 0.00 N ATOM 239 CA ILE A 16 7.857 -0.166 -12.910 1.00 0.00 C ATOM 240 C ILE A 16 7.540 0.749 -11.725 1.00 0.00 C ATOM 241 O ILE A 16 7.057 1.865 -11.910 1.00 0.00 O ATOM 242 CB ILE A 16 6.687 -1.059 -13.328 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.156 -2.177 -14.262 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.559 -0.231 -13.946 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.635 -3.537 -13.795 1.00 0.00 C ATOM 0 H ILE A 16 8.821 -1.941 -12.356 1.00 0.00 H new ATOM 0 HA ILE A 16 8.058 0.478 -13.766 1.00 0.00 H new ATOM 0 HB ILE A 16 6.284 -1.535 -12.434 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.808 -1.979 -15.276 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.245 -2.193 -14.297 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.740 -0.890 -14.234 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.200 0.496 -13.218 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.932 0.291 -14.827 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.983 -4.313 -14.476 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.005 -3.743 -12.791 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.545 -3.525 -13.785 1.00 0.00 H new ATOM 257 N GLN A 17 7.825 0.242 -10.535 1.00 0.00 N ATOM 258 CA GLN A 17 7.576 1.000 -9.320 1.00 0.00 C ATOM 259 C GLN A 17 8.472 2.240 -9.275 1.00 0.00 C ATOM 260 O GLN A 17 8.071 3.281 -8.757 1.00 0.00 O ATOM 261 CB GLN A 17 7.783 0.130 -8.079 1.00 0.00 C ATOM 262 CG GLN A 17 6.791 0.504 -6.976 1.00 0.00 C ATOM 263 CD GLN A 17 7.515 1.110 -5.771 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.635 0.753 -5.443 1.00 0.00 O ATOM 265 NE2 GLN A 17 6.815 2.043 -5.133 1.00 0.00 N ATOM 0 H GLN A 17 8.226 -0.684 -10.386 1.00 0.00 H new ATOM 0 HA GLN A 17 6.536 1.326 -9.326 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.660 -0.921 -8.342 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.802 0.250 -7.712 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.062 1.216 -7.363 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.237 -0.381 -6.665 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.882 2.294 -5.461 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.211 2.508 -4.316 1.00 0.00 H new ATOM 274 N LYS A 18 9.668 2.087 -9.825 1.00 0.00 N ATOM 275 CA LYS A 18 10.623 3.181 -9.855 1.00 0.00 C ATOM 276 C LYS A 18 10.126 4.262 -10.816 1.00 0.00 C ATOM 277 O LYS A 18 10.385 5.447 -10.612 1.00 0.00 O ATOM 278 CB LYS A 18 12.024 2.661 -10.186 1.00 0.00 C ATOM 279 CG LYS A 18 12.456 1.579 -9.194 1.00 0.00 C ATOM 280 CD LYS A 18 13.031 2.201 -7.920 1.00 0.00 C ATOM 281 CE LYS A 18 14.283 3.026 -8.229 1.00 0.00 C ATOM 282 NZ LYS A 18 14.014 4.469 -8.038 1.00 0.00 N ATOM 0 H LYS A 18 9.997 1.222 -10.253 1.00 0.00 H new ATOM 0 HA LYS A 18 10.703 3.642 -8.871 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.036 2.257 -11.198 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.737 3.486 -10.163 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.602 0.950 -8.942 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.203 0.934 -9.657 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.280 2.836 -7.450 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.276 1.415 -7.206 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.101 2.714 -7.580 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.603 2.842 -9.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.723 5.026 -8.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.065 4.696 -8.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.065 4.701 -7.025 1.00 0.00 H new ATOM 296 N HIS A 19 9.419 3.815 -11.843 1.00 0.00 N ATOM 297 CA HIS A 19 8.882 4.729 -12.836 1.00 0.00 C ATOM 298 C HIS A 19 7.443 5.100 -12.468 1.00 0.00 C ATOM 299 O HIS A 19 6.502 4.414 -12.861 1.00 0.00 O ATOM 300 CB HIS A 19 9.000 4.136 -14.242 1.00 0.00 C ATOM 301 CG HIS A 19 10.310 4.439 -14.928 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.391 5.158 -16.108 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.591 4.113 -14.588 1.00 0.00 C ATOM 304 CE1 HIS A 19 11.666 5.254 -16.453 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.408 4.606 -15.511 1.00 0.00 N ATOM 0 H HIS A 19 9.206 2.831 -12.009 1.00 0.00 H new ATOM 0 HA HIS A 19 9.467 5.648 -12.842 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.875 3.055 -14.181 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.184 4.517 -14.856 1.00 0.00 H new ATOM 0 HD1 HIS A 19 9.602 5.548 -16.624 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.889 3.550 -13.716 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.051 5.758 -17.328 1.00 0.00 H new ATOM 314 N ASN A 20 7.319 6.186 -11.719 1.00 0.00 N ATOM 315 CA ASN A 20 6.012 6.657 -11.294 1.00 0.00 C ATOM 316 C ASN A 20 5.986 8.186 -11.340 1.00 0.00 C ATOM 317 O ASN A 20 5.147 8.815 -10.696 1.00 0.00 O ATOM 318 CB ASN A 20 5.710 6.221 -9.859 1.00 0.00 C ATOM 319 CG ASN A 20 4.632 7.108 -9.232 1.00 0.00 C ATOM 320 OD1 ASN A 20 3.508 7.173 -9.939 1.00 0.00 O flip ATOM 321 ND2 ASN A 20 4.810 7.693 -8.177 1.00 0.00 N flip ATOM 0 H ASN A 20 8.103 6.753 -11.396 1.00 0.00 H new ATOM 0 HA ASN A 20 5.265 6.232 -11.965 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.380 5.182 -9.853 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.620 6.270 -9.261 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.699 7.599 -7.685 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.070 8.276 -7.786 1.00 0.00 H new ATOM 328 N ASN A 21 6.914 8.739 -12.106 1.00 0.00 N ATOM 329 CA ASN A 21 7.008 10.182 -12.243 1.00 0.00 C ATOM 330 C ASN A 21 6.428 10.600 -13.596 1.00 0.00 C ATOM 331 O ASN A 21 6.383 9.800 -14.530 1.00 0.00 O ATOM 332 CB ASN A 21 8.464 10.648 -12.189 1.00 0.00 C ATOM 333 CG ASN A 21 8.843 11.099 -10.777 1.00 0.00 C ATOM 334 OD1 ASN A 21 8.843 12.275 -10.452 1.00 0.00 O ATOM 335 ND2 ASN A 21 9.166 10.101 -9.959 1.00 0.00 N ATOM 0 H ASN A 21 7.608 8.214 -12.638 1.00 0.00 H new ATOM 0 HA ASN A 21 6.454 10.635 -11.421 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.121 9.837 -12.504 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.613 11.470 -12.889 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.435 10.298 -8.995 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.145 9.138 -10.296 1.00 0.00 H new ATOM 342 N SER A 22 6.000 11.853 -13.660 1.00 0.00 N ATOM 343 CA SER A 22 5.425 12.385 -14.884 1.00 0.00 C ATOM 344 C SER A 22 6.415 12.227 -16.039 1.00 0.00 C ATOM 345 O SER A 22 6.034 12.324 -17.204 1.00 0.00 O ATOM 346 CB SER A 22 5.038 13.856 -14.714 1.00 0.00 C ATOM 347 OG SER A 22 3.627 14.028 -14.610 1.00 0.00 O ATOM 0 H SER A 22 6.040 12.514 -12.885 1.00 0.00 H new ATOM 0 HA SER A 22 4.520 11.822 -15.111 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.519 14.257 -13.822 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.412 14.430 -15.562 1.00 0.00 H new ATOM 0 HG SER A 22 3.421 14.980 -14.501 1.00 0.00 H new ATOM 353 N LYS A 23 7.665 11.985 -15.676 1.00 0.00 N ATOM 354 CA LYS A 23 8.714 11.811 -16.667 1.00 0.00 C ATOM 355 C LYS A 23 8.936 10.318 -16.911 1.00 0.00 C ATOM 356 O LYS A 23 9.301 9.912 -18.015 1.00 0.00 O ATOM 357 CB LYS A 23 9.978 12.562 -16.248 1.00 0.00 C ATOM 358 CG LYS A 23 10.202 13.796 -17.124 1.00 0.00 C ATOM 359 CD LYS A 23 11.694 14.072 -17.313 1.00 0.00 C ATOM 360 CE LYS A 23 11.961 15.572 -17.448 1.00 0.00 C ATOM 361 NZ LYS A 23 11.807 16.001 -18.856 1.00 0.00 N ATOM 0 H LYS A 23 7.976 11.905 -14.708 1.00 0.00 H new ATOM 0 HA LYS A 23 8.415 12.248 -17.620 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.896 12.864 -15.204 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.840 11.899 -16.322 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.730 13.647 -18.095 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.724 14.662 -16.667 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.251 13.675 -16.465 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.054 13.553 -18.202 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.271 16.129 -16.814 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.968 15.801 -17.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.992 17.022 -18.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.483 15.483 -19.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.838 15.800 -19.176 1.00 0.00 H new ATOM 375 N SER A 24 8.707 9.539 -15.865 1.00 0.00 N ATOM 376 CA SER A 24 8.879 8.098 -15.952 1.00 0.00 C ATOM 377 C SER A 24 7.604 7.391 -15.489 1.00 0.00 C ATOM 378 O SER A 24 7.637 6.594 -14.551 1.00 0.00 O ATOM 379 CB SER A 24 10.076 7.635 -15.119 1.00 0.00 C ATOM 380 OG SER A 24 10.508 8.636 -14.202 1.00 0.00 O ATOM 0 H SER A 24 8.404 9.878 -14.952 1.00 0.00 H new ATOM 0 HA SER A 24 9.073 7.838 -16.993 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.808 6.732 -14.570 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.900 7.372 -15.783 1.00 0.00 H new ATOM 0 HG SER A 24 11.272 8.301 -13.688 1.00 0.00 H new ATOM 386 N THR A 25 6.511 7.707 -16.166 1.00 0.00 N ATOM 387 CA THR A 25 5.227 7.112 -15.835 1.00 0.00 C ATOM 388 C THR A 25 5.108 5.720 -16.460 1.00 0.00 C ATOM 389 O THR A 25 4.672 5.584 -17.602 1.00 0.00 O ATOM 390 CB THR A 25 4.128 8.076 -16.287 1.00 0.00 C ATOM 391 OG1 THR A 25 4.720 9.365 -16.150 1.00 0.00 O ATOM 392 CG2 THR A 25 2.943 8.106 -15.320 1.00 0.00 C ATOM 0 H THR A 25 6.487 8.368 -16.943 1.00 0.00 H new ATOM 0 HA THR A 25 5.126 6.962 -14.760 1.00 0.00 H new ATOM 0 HB THR A 25 3.780 7.791 -17.280 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.057 9.475 -15.236 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.192 8.805 -15.687 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.507 7.110 -15.248 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.285 8.425 -14.335 1.00 0.00 H new ATOM 400 N TRP A 26 5.504 4.722 -15.684 1.00 0.00 N ATOM 401 CA TRP A 26 5.446 3.346 -16.146 1.00 0.00 C ATOM 402 C TRP A 26 4.420 2.602 -15.290 1.00 0.00 C ATOM 403 O TRP A 26 4.374 2.779 -14.074 1.00 0.00 O ATOM 404 CB TRP A 26 6.833 2.700 -16.114 1.00 0.00 C ATOM 405 CG TRP A 26 7.829 3.314 -17.099 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.622 4.312 -17.968 1.00 0.00 C ATOM 407 CD2 TRP A 26 9.208 2.928 -17.280 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.760 4.596 -18.694 1.00 0.00 N ATOM 409 CE2 TRP A 26 9.756 3.728 -18.262 1.00 0.00 C ATOM 410 CE3 TRP A 26 9.968 1.936 -16.635 1.00 0.00 C ATOM 411 CZ2 TRP A 26 11.086 3.618 -18.687 1.00 0.00 C ATOM 412 CZ3 TRP A 26 11.294 1.839 -17.072 1.00 0.00 C ATOM 413 CH2 TRP A 26 11.861 2.637 -18.060 1.00 0.00 C ATOM 0 H TRP A 26 5.866 4.839 -14.738 1.00 0.00 H new ATOM 0 HA TRP A 26 5.127 3.301 -17.187 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.238 2.783 -15.105 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.732 1.637 -16.331 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.682 4.830 -18.086 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.853 5.311 -19.415 1.00 0.00 H new ATOM 0 HE3 TRP A 26 9.561 1.299 -15.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 11.491 4.257 -19.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 11.921 1.092 -16.609 1.00 0.00 H new ATOM 0 HH2 TRP A 26 12.895 2.500 -18.342 1.00 0.00 H new ATOM 424 N LEU A 27 3.620 1.785 -15.960 1.00 0.00 N ATOM 425 CA LEU A 27 2.596 1.013 -15.277 1.00 0.00 C ATOM 426 C LEU A 27 2.413 -0.329 -15.990 1.00 0.00 C ATOM 427 O LEU A 27 2.940 -0.531 -17.084 1.00 0.00 O ATOM 428 CB LEU A 27 1.306 1.824 -15.153 1.00 0.00 C ATOM 429 CG LEU A 27 0.317 1.694 -16.314 1.00 0.00 C ATOM 430 CD1 LEU A 27 1.047 1.695 -17.658 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.567 0.458 -16.144 1.00 0.00 C ATOM 0 H LEU A 27 3.661 1.641 -16.969 1.00 0.00 H new ATOM 0 HA LEU A 27 2.905 0.792 -14.255 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.799 1.525 -14.235 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.571 2.876 -15.043 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.339 2.564 -16.303 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.322 1.601 -18.466 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.599 2.628 -17.772 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.742 0.856 -17.695 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.261 0.389 -16.982 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.058 -0.435 -16.115 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.129 0.538 -15.213 1.00 0.00 H new ATOM 443 N ILE A 28 1.665 -1.210 -15.344 1.00 0.00 N ATOM 444 CA ILE A 28 1.406 -2.526 -15.902 1.00 0.00 C ATOM 445 C ILE A 28 -0.102 -2.708 -16.090 1.00 0.00 C ATOM 446 O ILE A 28 -0.875 -2.518 -15.152 1.00 0.00 O ATOM 447 CB ILE A 28 2.054 -3.612 -15.040 1.00 0.00 C ATOM 448 CG1 ILE A 28 3.262 -3.060 -14.281 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.417 -4.836 -15.883 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.453 -3.792 -12.951 1.00 0.00 C ATOM 0 H ILE A 28 1.229 -1.038 -14.438 1.00 0.00 H new ATOM 0 HA ILE A 28 1.864 -2.618 -16.887 1.00 0.00 H new ATOM 0 HB ILE A 28 1.327 -3.938 -14.296 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.159 -3.166 -14.891 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.125 -1.994 -14.098 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.876 -5.593 -15.247 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.515 -5.244 -16.340 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.119 -4.545 -16.664 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.318 -3.381 -12.431 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.564 -3.664 -12.334 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.614 -4.853 -13.140 1.00 0.00 H new ATOM 462 N LEU A 29 -0.474 -3.073 -17.308 1.00 0.00 N ATOM 463 CA LEU A 29 -1.875 -3.282 -17.631 1.00 0.00 C ATOM 464 C LEU A 29 -2.085 -4.738 -18.055 1.00 0.00 C ATOM 465 O LEU A 29 -1.396 -5.234 -18.945 1.00 0.00 O ATOM 466 CB LEU A 29 -2.344 -2.264 -18.672 1.00 0.00 C ATOM 467 CG LEU A 29 -3.592 -1.458 -18.309 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.207 -0.810 -19.551 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.602 -2.322 -17.553 1.00 0.00 C ATOM 0 H LEU A 29 0.170 -3.229 -18.083 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.497 -3.113 -16.752 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.528 -1.567 -18.862 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.536 -2.792 -19.606 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.294 -0.651 -17.639 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.093 -0.243 -19.265 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.480 -0.140 -20.010 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.487 -1.585 -20.265 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.480 -1.724 -17.307 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.900 -3.164 -18.177 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.147 -2.694 -16.635 1.00 0.00 H new ATOM 481 N HIS A 30 -3.039 -5.380 -17.398 1.00 0.00 N ATOM 482 CA HIS A 30 -3.347 -6.769 -17.696 1.00 0.00 C ATOM 483 C HIS A 30 -2.187 -7.660 -17.247 1.00 0.00 C ATOM 484 O HIS A 30 -2.362 -8.531 -16.397 1.00 0.00 O ATOM 485 CB HIS A 30 -3.691 -6.944 -19.176 1.00 0.00 C ATOM 486 CG HIS A 30 -4.743 -5.984 -19.680 1.00 0.00 C ATOM 487 ND1 HIS A 30 -4.431 -4.757 -20.238 1.00 0.00 N ATOM 488 CD2 HIS A 30 -6.102 -6.085 -19.704 1.00 0.00 C ATOM 489 CE1 HIS A 30 -5.561 -4.154 -20.578 1.00 0.00 C ATOM 490 NE2 HIS A 30 -6.596 -4.978 -20.247 1.00 0.00 N ATOM 0 H HIS A 30 -3.609 -4.965 -16.661 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.232 -7.076 -17.139 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.784 -6.816 -19.767 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -4.037 -7.965 -19.340 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -3.492 -4.381 -20.366 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.679 -6.923 -19.343 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.647 -3.180 -21.037 1.00 0.00 H new ATOM 499 N TYR A 31 -1.028 -7.411 -17.839 1.00 0.00 N ATOM 500 CA TYR A 31 0.160 -8.179 -17.510 1.00 0.00 C ATOM 501 C TYR A 31 1.382 -7.648 -18.262 1.00 0.00 C ATOM 502 O TYR A 31 2.477 -8.193 -18.139 1.00 0.00 O ATOM 503 CB TYR A 31 -0.123 -9.611 -17.970 1.00 0.00 C ATOM 504 CG TYR A 31 -0.203 -9.772 -19.489 1.00 0.00 C ATOM 505 CD1 TYR A 31 -1.349 -9.403 -20.164 1.00 0.00 C ATOM 506 CD2 TYR A 31 0.872 -10.287 -20.187 1.00 0.00 C ATOM 507 CE1 TYR A 31 -1.425 -9.554 -21.594 1.00 0.00 C ATOM 508 CE2 TYR A 31 0.797 -10.438 -21.617 1.00 0.00 C ATOM 509 CZ TYR A 31 -0.347 -10.064 -22.249 1.00 0.00 C ATOM 510 OH TYR A 31 -0.418 -10.207 -23.600 1.00 0.00 O ATOM 0 H TYR A 31 -0.887 -6.688 -18.545 1.00 0.00 H new ATOM 0 HA TYR A 31 0.374 -8.116 -16.443 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.659 -10.266 -17.586 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.063 -9.944 -17.530 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.190 -9.000 -19.619 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.769 -10.577 -19.660 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.316 -9.269 -22.134 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.630 -10.839 -22.175 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.177 -9.692 -23.944 1.00 0.00 H new ATOM 520 N LYS A 32 1.153 -6.589 -19.025 1.00 0.00 N ATOM 521 CA LYS A 32 2.221 -5.977 -19.796 1.00 0.00 C ATOM 522 C LYS A 32 2.579 -4.623 -19.181 1.00 0.00 C ATOM 523 O LYS A 32 1.866 -4.125 -18.311 1.00 0.00 O ATOM 524 CB LYS A 32 1.837 -5.898 -21.275 1.00 0.00 C ATOM 525 CG LYS A 32 1.624 -7.294 -21.862 1.00 0.00 C ATOM 526 CD LYS A 32 0.651 -7.251 -23.042 1.00 0.00 C ATOM 527 CE LYS A 32 1.249 -7.938 -24.272 1.00 0.00 C ATOM 528 NZ LYS A 32 0.383 -7.731 -25.453 1.00 0.00 N ATOM 0 H LYS A 32 0.243 -6.139 -19.125 1.00 0.00 H new ATOM 0 HA LYS A 32 3.120 -6.593 -19.756 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.926 -5.310 -21.387 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.620 -5.382 -21.830 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.579 -7.704 -22.189 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.237 -7.961 -21.092 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.283 -7.741 -22.766 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.409 -6.215 -23.281 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.245 -7.541 -24.470 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.364 -9.005 -24.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.803 -8.203 -26.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.559 -8.131 -25.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.295 -6.713 -25.645 1.00 0.00 H new ATOM 542 N VAL A 33 3.683 -4.065 -19.656 1.00 0.00 N ATOM 543 CA VAL A 33 4.143 -2.779 -19.162 1.00 0.00 C ATOM 544 C VAL A 33 3.940 -1.719 -20.247 1.00 0.00 C ATOM 545 O VAL A 33 4.388 -1.891 -21.380 1.00 0.00 O ATOM 546 CB VAL A 33 5.597 -2.886 -18.697 1.00 0.00 C ATOM 547 CG1 VAL A 33 6.187 -1.502 -18.419 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.713 -3.789 -17.468 1.00 0.00 C ATOM 0 H VAL A 33 4.272 -4.480 -20.378 1.00 0.00 H new ATOM 0 HA VAL A 33 3.560 -2.473 -18.294 1.00 0.00 H new ATOM 0 HB VAL A 33 6.175 -3.340 -19.502 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.221 -1.607 -18.090 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.155 -0.903 -19.329 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.606 -1.009 -17.639 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.756 -3.849 -17.157 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.115 -3.376 -16.655 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.350 -4.787 -17.714 1.00 0.00 H new ATOM 558 N TYR A 34 3.264 -0.647 -19.862 1.00 0.00 N ATOM 559 CA TYR A 34 2.996 0.441 -20.787 1.00 0.00 C ATOM 560 C TYR A 34 3.628 1.745 -20.299 1.00 0.00 C ATOM 561 O TYR A 34 3.758 1.965 -19.095 1.00 0.00 O ATOM 562 CB TYR A 34 1.474 0.605 -20.817 1.00 0.00 C ATOM 563 CG TYR A 34 0.714 -0.692 -21.103 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.831 -1.764 -20.243 1.00 0.00 C ATOM 565 CD2 TYR A 34 -0.088 -0.788 -22.222 1.00 0.00 C ATOM 566 CE1 TYR A 34 0.116 -2.985 -20.513 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.803 -2.009 -22.492 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.667 -3.047 -21.624 1.00 0.00 C ATOM 569 OH TYR A 34 -1.342 -4.199 -21.879 1.00 0.00 O ATOM 0 H TYR A 34 2.894 -0.508 -18.922 1.00 0.00 H new ATOM 0 HA TYR A 34 3.412 0.219 -21.770 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.143 1.004 -19.858 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.213 1.342 -21.577 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.459 -1.688 -19.367 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.179 0.052 -22.895 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.200 -3.832 -19.848 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.433 -2.098 -23.365 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.453 -4.704 -21.047 1.00 0.00 H new ATOM 579 N ASP A 35 4.004 2.579 -21.258 1.00 0.00 N ATOM 580 CA ASP A 35 4.620 3.856 -20.941 1.00 0.00 C ATOM 581 C ASP A 35 3.533 4.926 -20.826 1.00 0.00 C ATOM 582 O ASP A 35 3.078 5.465 -21.834 1.00 0.00 O ATOM 583 CB ASP A 35 5.594 4.287 -22.039 1.00 0.00 C ATOM 584 CG ASP A 35 6.971 4.734 -21.545 1.00 0.00 C ATOM 585 OD1 ASP A 35 7.569 3.965 -20.760 1.00 0.00 O ATOM 586 OD2 ASP A 35 7.394 5.833 -21.961 1.00 0.00 O ATOM 0 H ASP A 35 3.894 2.395 -22.255 1.00 0.00 H new ATOM 0 HA ASP A 35 5.163 3.744 -20.002 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.726 3.457 -22.733 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.144 5.105 -22.602 1.00 0.00 H new ATOM 591 N LEU A 36 3.149 5.205 -19.588 1.00 0.00 N ATOM 592 CA LEU A 36 2.124 6.201 -19.329 1.00 0.00 C ATOM 593 C LEU A 36 2.622 7.571 -19.793 1.00 0.00 C ATOM 594 O LEU A 36 1.829 8.419 -20.200 1.00 0.00 O ATOM 595 CB LEU A 36 1.702 6.165 -17.859 1.00 0.00 C ATOM 596 CG LEU A 36 0.780 5.014 -17.453 1.00 0.00 C ATOM 597 CD1 LEU A 36 0.087 5.309 -16.121 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.224 4.698 -18.564 1.00 0.00 C ATOM 0 H LEU A 36 3.530 4.758 -18.754 1.00 0.00 H new ATOM 0 HA LEU A 36 1.223 5.979 -19.901 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.601 6.118 -17.245 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.203 7.105 -17.622 1.00 0.00 H new ATOM 0 HG LEU A 36 1.391 4.123 -17.307 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.562 4.475 -15.856 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.838 5.446 -15.343 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.509 6.217 -16.214 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.867 3.876 -18.250 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.833 5.579 -18.765 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.313 4.413 -19.469 1.00 0.00 H new ATOM 610 N THR A 37 3.933 7.746 -19.716 1.00 0.00 N ATOM 611 CA THR A 37 4.547 8.998 -20.122 1.00 0.00 C ATOM 612 C THR A 37 4.176 9.329 -21.570 1.00 0.00 C ATOM 613 O THR A 37 4.219 10.489 -21.976 1.00 0.00 O ATOM 614 CB THR A 37 6.055 8.883 -19.894 1.00 0.00 C ATOM 615 OG1 THR A 37 6.221 9.189 -18.512 1.00 0.00 O ATOM 616 CG2 THR A 37 6.843 9.978 -20.616 1.00 0.00 C ATOM 0 H THR A 37 4.587 7.040 -19.378 1.00 0.00 H new ATOM 0 HA THR A 37 4.176 9.831 -19.525 1.00 0.00 H new ATOM 0 HB THR A 37 6.399 7.906 -20.233 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.666 10.057 -18.420 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.908 9.849 -20.420 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.660 9.911 -21.688 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.523 10.955 -20.254 1.00 0.00 H new ATOM 624 N LYS A 38 3.819 8.288 -22.308 1.00 0.00 N ATOM 625 CA LYS A 38 3.441 8.453 -23.701 1.00 0.00 C ATOM 626 C LYS A 38 1.925 8.640 -23.794 1.00 0.00 C ATOM 627 O LYS A 38 1.415 9.108 -24.812 1.00 0.00 O ATOM 628 CB LYS A 38 3.969 7.289 -24.542 1.00 0.00 C ATOM 629 CG LYS A 38 5.293 7.657 -25.217 1.00 0.00 C ATOM 630 CD LYS A 38 5.954 6.423 -25.834 1.00 0.00 C ATOM 631 CE LYS A 38 7.062 6.825 -26.810 1.00 0.00 C ATOM 632 NZ LYS A 38 6.796 6.267 -28.154 1.00 0.00 N ATOM 0 H LYS A 38 3.784 7.327 -21.967 1.00 0.00 H new ATOM 0 HA LYS A 38 3.900 9.350 -24.116 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.110 6.413 -23.909 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.233 7.019 -25.299 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.116 8.404 -25.990 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.965 8.107 -24.487 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.369 5.796 -25.045 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.205 5.827 -26.354 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.128 7.912 -26.867 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.024 6.466 -26.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.557 6.549 -28.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.756 5.229 -28.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.887 6.630 -28.507 1.00 0.00 H new ATOM 646 N PHE A 39 1.247 8.265 -22.720 1.00 0.00 N ATOM 647 CA PHE A 39 -0.200 8.386 -22.668 1.00 0.00 C ATOM 648 C PHE A 39 -0.628 9.397 -21.602 1.00 0.00 C ATOM 649 O PHE A 39 -1.802 9.466 -21.242 1.00 0.00 O ATOM 650 CB PHE A 39 -0.751 7.008 -22.296 1.00 0.00 C ATOM 651 CG PHE A 39 -2.271 6.889 -22.429 1.00 0.00 C ATOM 652 CD1 PHE A 39 -2.916 7.519 -23.447 1.00 0.00 C ATOM 653 CD2 PHE A 39 -2.976 6.153 -21.529 1.00 0.00 C ATOM 654 CE1 PHE A 39 -4.326 7.409 -23.570 1.00 0.00 C ATOM 655 CE2 PHE A 39 -4.387 6.042 -21.653 1.00 0.00 C ATOM 656 CZ PHE A 39 -5.031 6.673 -22.670 1.00 0.00 C ATOM 0 H PHE A 39 1.673 7.877 -21.878 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.579 8.730 -23.630 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.281 6.257 -22.931 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.467 6.780 -21.269 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.356 8.103 -24.162 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.464 5.653 -20.720 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.838 7.910 -24.378 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.948 5.456 -20.939 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.104 6.590 -22.763 1.00 0.00 H new ATOM 666 N LEU A 40 0.348 10.157 -21.128 1.00 0.00 N ATOM 667 CA LEU A 40 0.087 11.162 -20.111 1.00 0.00 C ATOM 668 C LEU A 40 -0.917 12.181 -20.653 1.00 0.00 C ATOM 669 O LEU A 40 -2.062 12.227 -20.208 1.00 0.00 O ATOM 670 CB LEU A 40 1.396 11.786 -19.625 1.00 0.00 C ATOM 671 CG LEU A 40 1.589 11.848 -18.108 1.00 0.00 C ATOM 672 CD1 LEU A 40 1.969 10.477 -17.547 1.00 0.00 C ATOM 673 CD2 LEU A 40 2.608 12.926 -17.729 1.00 0.00 C ATOM 0 H LEU A 40 1.321 10.097 -21.429 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.366 10.705 -19.231 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.225 11.223 -20.054 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.461 12.799 -20.021 1.00 0.00 H new ATOM 0 HG LEU A 40 0.639 12.129 -17.654 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.100 10.549 -16.467 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.178 9.761 -17.769 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.900 10.142 -18.004 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.727 12.950 -16.646 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.567 12.700 -18.194 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.256 13.897 -18.077 1.00 0.00 H new ATOM 685 N GLU A 41 -0.449 12.975 -21.605 1.00 0.00 N ATOM 686 CA GLU A 41 -1.291 13.991 -22.212 1.00 0.00 C ATOM 687 C GLU A 41 -2.725 13.476 -22.356 1.00 0.00 C ATOM 688 O GLU A 41 -3.643 14.002 -21.729 1.00 0.00 O ATOM 689 CB GLU A 41 -0.730 14.434 -23.565 1.00 0.00 C ATOM 690 CG GLU A 41 0.598 15.175 -23.391 1.00 0.00 C ATOM 691 CD GLU A 41 1.151 15.632 -24.743 1.00 0.00 C ATOM 692 OE1 GLU A 41 1.333 14.750 -25.610 1.00 0.00 O ATOM 693 OE2 GLU A 41 1.381 16.854 -24.878 1.00 0.00 O ATOM 0 H GLU A 41 0.502 12.935 -21.971 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.302 14.863 -21.558 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.584 13.564 -24.205 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.449 15.082 -24.067 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.454 16.039 -22.742 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.321 14.524 -22.900 1.00 0.00 H new ATOM 700 N GLU A 42 -2.872 12.454 -23.186 1.00 0.00 N ATOM 701 CA GLU A 42 -4.178 11.862 -23.421 1.00 0.00 C ATOM 702 C GLU A 42 -4.854 11.524 -22.090 1.00 0.00 C ATOM 703 O GLU A 42 -4.320 11.827 -21.024 1.00 0.00 O ATOM 704 CB GLU A 42 -4.067 10.622 -24.309 1.00 0.00 C ATOM 705 CG GLU A 42 -5.023 10.712 -25.500 1.00 0.00 C ATOM 706 CD GLU A 42 -4.254 10.710 -26.823 1.00 0.00 C ATOM 707 OE1 GLU A 42 -3.813 11.808 -27.225 1.00 0.00 O ATOM 708 OE2 GLU A 42 -4.125 9.610 -27.401 1.00 0.00 O ATOM 0 H GLU A 42 -2.108 12.021 -23.704 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.796 12.590 -23.947 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.043 10.518 -24.667 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.292 9.730 -23.724 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.717 9.872 -25.478 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.620 11.621 -25.424 1.00 0.00 H new ATOM 715 N HIS A 43 -6.018 10.902 -22.196 1.00 0.00 N ATOM 716 CA HIS A 43 -6.773 10.520 -21.015 1.00 0.00 C ATOM 717 C HIS A 43 -7.617 11.704 -20.540 1.00 0.00 C ATOM 718 O HIS A 43 -7.137 12.835 -20.496 1.00 0.00 O ATOM 719 CB HIS A 43 -5.842 9.981 -19.926 1.00 0.00 C ATOM 720 CG HIS A 43 -6.503 9.007 -18.980 1.00 0.00 C ATOM 721 ND1 HIS A 43 -7.351 9.407 -17.963 1.00 0.00 N ATOM 722 CD2 HIS A 43 -6.432 7.646 -18.909 1.00 0.00 C ATOM 723 CE1 HIS A 43 -7.766 8.329 -17.314 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.195 7.238 -17.901 1.00 0.00 N ATOM 0 H HIS A 43 -6.457 10.653 -23.082 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.456 9.708 -21.263 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.991 9.491 -20.399 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.448 10.819 -19.351 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.613 10.369 -17.749 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.854 7.009 -19.562 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.438 8.316 -16.469 1.00 0.00 H new ATOM 733 N PRO A 44 -8.894 11.394 -20.185 1.00 0.00 N ATOM 734 CA PRO A 44 -9.809 12.420 -19.715 1.00 0.00 C ATOM 735 C PRO A 44 -9.476 12.837 -18.282 1.00 0.00 C ATOM 736 O PRO A 44 -9.366 14.026 -17.986 1.00 0.00 O ATOM 737 CB PRO A 44 -11.192 11.803 -19.848 1.00 0.00 C ATOM 738 CG PRO A 44 -10.972 10.303 -19.946 1.00 0.00 C ATOM 739 CD PRO A 44 -9.497 10.065 -20.224 1.00 0.00 C ATOM 0 HA PRO A 44 -9.741 13.342 -20.293 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.814 12.051 -18.988 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.705 12.181 -20.732 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.270 9.812 -19.019 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.584 9.879 -20.742 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.054 9.407 -19.476 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.348 9.591 -21.194 1.00 0.00 H new ATOM 747 N GLY A 45 -9.324 11.835 -17.428 1.00 0.00 N ATOM 748 CA GLY A 45 -9.006 12.082 -16.032 1.00 0.00 C ATOM 749 C GLY A 45 -7.819 13.039 -15.902 1.00 0.00 C ATOM 750 O GLY A 45 -7.751 13.826 -14.959 1.00 0.00 O ATOM 0 H GLY A 45 -9.415 10.850 -17.676 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.875 12.503 -15.526 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.774 11.140 -15.536 1.00 0.00 H new ATOM 754 N GLY A 46 -6.912 12.939 -16.863 1.00 0.00 N ATOM 755 CA GLY A 46 -5.730 13.786 -16.867 1.00 0.00 C ATOM 756 C GLY A 46 -4.455 12.947 -16.985 1.00 0.00 C ATOM 757 O GLY A 46 -4.508 11.784 -17.381 1.00 0.00 O ATOM 0 H GLY A 46 -6.971 12.285 -17.644 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.785 14.489 -17.698 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.698 14.376 -15.951 1.00 0.00 H new ATOM 761 N GLU A 47 -3.341 13.571 -16.636 1.00 0.00 N ATOM 762 CA GLU A 47 -2.055 12.897 -16.698 1.00 0.00 C ATOM 763 C GLU A 47 -1.810 12.103 -15.413 1.00 0.00 C ATOM 764 O GLU A 47 -1.296 10.987 -15.460 1.00 0.00 O ATOM 765 CB GLU A 47 -0.924 13.898 -16.948 1.00 0.00 C ATOM 766 CG GLU A 47 -0.773 14.193 -18.442 1.00 0.00 C ATOM 767 CD GLU A 47 -0.367 15.650 -18.673 1.00 0.00 C ATOM 768 OE1 GLU A 47 -1.289 16.491 -18.745 1.00 0.00 O ATOM 769 OE2 GLU A 47 0.854 15.889 -18.775 1.00 0.00 O ATOM 0 H GLU A 47 -3.301 14.536 -16.309 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.071 12.200 -17.536 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.127 14.824 -16.410 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.012 13.500 -16.556 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.023 13.530 -18.874 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.713 13.988 -18.954 1.00 0.00 H new ATOM 776 N GLU A 48 -2.189 12.709 -14.298 1.00 0.00 N ATOM 777 CA GLU A 48 -2.017 12.071 -13.005 1.00 0.00 C ATOM 778 C GLU A 48 -2.739 10.722 -12.977 1.00 0.00 C ATOM 779 O GLU A 48 -2.170 9.718 -12.551 1.00 0.00 O ATOM 780 CB GLU A 48 -2.509 12.979 -11.876 1.00 0.00 C ATOM 781 CG GLU A 48 -1.517 12.995 -10.712 1.00 0.00 C ATOM 782 CD GLU A 48 -2.214 13.362 -9.400 1.00 0.00 C ATOM 783 OE1 GLU A 48 -3.301 12.793 -9.158 1.00 0.00 O ATOM 784 OE2 GLU A 48 -1.646 14.202 -8.671 1.00 0.00 O ATOM 0 H GLU A 48 -2.615 13.635 -14.263 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.953 11.894 -12.848 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.648 13.992 -12.254 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.481 12.634 -11.525 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.048 12.016 -10.617 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.722 13.711 -10.918 1.00 0.00 H new ATOM 791 N VAL A 49 -3.982 10.742 -13.438 1.00 0.00 N ATOM 792 CA VAL A 49 -4.786 9.533 -13.472 1.00 0.00 C ATOM 793 C VAL A 49 -3.905 8.349 -13.873 1.00 0.00 C ATOM 794 O VAL A 49 -4.144 7.220 -13.449 1.00 0.00 O ATOM 795 CB VAL A 49 -5.986 9.729 -14.403 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.528 9.953 -15.846 1.00 0.00 C ATOM 797 CG2 VAL A 49 -6.950 8.545 -14.311 1.00 0.00 C ATOM 0 H VAL A 49 -4.451 11.576 -13.791 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.190 9.316 -12.483 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.521 10.622 -14.078 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.399 10.089 -16.487 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.899 10.842 -15.894 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.959 9.087 -16.186 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.793 8.709 -14.982 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.431 7.630 -14.598 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.314 8.450 -13.288 1.00 0.00 H new ATOM 807 N LEU A 50 -2.903 8.648 -14.688 1.00 0.00 N ATOM 808 CA LEU A 50 -1.985 7.622 -15.151 1.00 0.00 C ATOM 809 C LEU A 50 -0.784 7.553 -14.204 1.00 0.00 C ATOM 810 O LEU A 50 -0.286 6.469 -13.906 1.00 0.00 O ATOM 811 CB LEU A 50 -1.602 7.866 -16.612 1.00 0.00 C ATOM 812 CG LEU A 50 -2.765 7.980 -17.600 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.902 9.412 -18.123 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.621 6.967 -18.737 1.00 0.00 C ATOM 0 H LEU A 50 -2.708 9.586 -15.039 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.465 6.644 -15.130 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.015 8.783 -16.665 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.953 7.053 -16.938 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.687 7.740 -17.070 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.736 9.465 -18.823 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.085 10.088 -17.288 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.983 9.703 -18.631 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.461 7.070 -19.424 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.689 7.151 -19.272 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.610 5.958 -18.326 1.00 0.00 H new ATOM 826 N ARG A 51 -0.354 8.724 -13.759 1.00 0.00 N ATOM 827 CA ARG A 51 0.778 8.811 -12.853 1.00 0.00 C ATOM 828 C ARG A 51 0.423 8.193 -11.499 1.00 0.00 C ATOM 829 O ARG A 51 1.241 7.502 -10.894 1.00 0.00 O ATOM 830 CB ARG A 51 1.208 10.264 -12.645 1.00 0.00 C ATOM 831 CG ARG A 51 2.550 10.339 -11.914 1.00 0.00 C ATOM 832 CD ARG A 51 2.349 10.674 -10.434 1.00 0.00 C ATOM 833 NE ARG A 51 2.186 12.134 -10.262 1.00 0.00 N ATOM 834 CZ ARG A 51 3.170 13.026 -10.443 1.00 0.00 C ATOM 835 NH1 ARG A 51 4.393 12.611 -10.803 1.00 0.00 N ATOM 836 NH2 ARG A 51 2.931 14.332 -10.265 1.00 0.00 N ATOM 0 H ARG A 51 -0.770 9.621 -14.009 1.00 0.00 H new ATOM 0 HA ARG A 51 1.605 8.261 -13.303 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.287 10.765 -13.610 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.447 10.794 -12.072 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.073 9.387 -12.008 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.180 11.096 -12.380 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.471 10.154 -10.051 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.204 10.325 -9.855 1.00 0.00 H new ATOM 0 HE ARG A 51 1.268 12.484 -9.989 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.575 11.617 -10.939 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.142 13.290 -10.941 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.000 14.648 -9.992 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.680 15.011 -10.403 1.00 0.00 H new ATOM 850 N GLU A 52 -0.799 8.463 -11.064 1.00 0.00 N ATOM 851 CA GLU A 52 -1.273 7.943 -9.793 1.00 0.00 C ATOM 852 C GLU A 52 -1.342 6.415 -9.837 1.00 0.00 C ATOM 853 O GLU A 52 -1.495 5.767 -8.803 1.00 0.00 O ATOM 854 CB GLU A 52 -2.632 8.543 -9.427 1.00 0.00 C ATOM 855 CG GLU A 52 -3.703 8.132 -10.439 1.00 0.00 C ATOM 856 CD GLU A 52 -4.537 6.962 -9.910 1.00 0.00 C ATOM 857 OE1 GLU A 52 -3.943 5.876 -9.733 1.00 0.00 O ATOM 858 OE2 GLU A 52 -5.748 7.181 -9.694 1.00 0.00 O ATOM 0 H GLU A 52 -1.475 9.035 -11.569 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.564 8.233 -9.017 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.923 8.212 -8.430 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.557 9.630 -9.393 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.353 8.981 -10.650 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.230 7.850 -11.380 1.00 0.00 H new ATOM 865 N GLN A 53 -1.227 5.885 -11.045 1.00 0.00 N ATOM 866 CA GLN A 53 -1.274 4.446 -11.238 1.00 0.00 C ATOM 867 C GLN A 53 0.107 3.916 -11.630 1.00 0.00 C ATOM 868 O GLN A 53 0.394 2.733 -11.459 1.00 0.00 O ATOM 869 CB GLN A 53 -2.323 4.067 -12.286 1.00 0.00 C ATOM 870 CG GLN A 53 -2.067 4.794 -13.607 1.00 0.00 C ATOM 871 CD GLN A 53 -3.127 4.431 -14.648 1.00 0.00 C ATOM 872 OE1 GLN A 53 -3.005 3.465 -15.385 1.00 0.00 O ATOM 873 NE2 GLN A 53 -4.171 5.254 -14.669 1.00 0.00 N ATOM 0 H GLN A 53 -1.101 6.426 -11.900 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.565 3.983 -10.295 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.305 2.990 -12.450 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.318 4.316 -11.917 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.071 5.871 -13.440 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.078 4.533 -13.984 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.211 6.044 -14.025 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.932 5.095 -15.329 1.00 0.00 H new ATOM 882 N ALA A 54 0.926 4.820 -12.149 1.00 0.00 N ATOM 883 CA ALA A 54 2.270 4.459 -12.566 1.00 0.00 C ATOM 884 C ALA A 54 3.099 4.088 -11.335 1.00 0.00 C ATOM 885 O ALA A 54 3.130 4.833 -10.356 1.00 0.00 O ATOM 886 CB ALA A 54 2.886 5.614 -13.358 1.00 0.00 C ATOM 0 H ALA A 54 0.684 5.801 -12.290 1.00 0.00 H new ATOM 0 HA ALA A 54 2.248 3.589 -13.222 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.894 5.343 -13.671 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.276 5.818 -14.238 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.927 6.504 -12.730 1.00 0.00 H new ATOM 892 N GLY A 55 3.752 2.939 -11.424 1.00 0.00 N ATOM 893 CA GLY A 55 4.579 2.460 -10.330 1.00 0.00 C ATOM 894 C GLY A 55 4.225 1.018 -9.964 1.00 0.00 C ATOM 895 O GLY A 55 4.613 0.528 -8.904 1.00 0.00 O ATOM 0 H GLY A 55 3.725 2.325 -12.238 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.630 2.520 -10.611 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.445 3.103 -9.460 1.00 0.00 H new ATOM 899 N GLY A 56 3.491 0.376 -10.862 1.00 0.00 N ATOM 900 CA GLY A 56 3.080 -1.000 -10.647 1.00 0.00 C ATOM 901 C GLY A 56 1.879 -1.357 -11.526 1.00 0.00 C ATOM 902 O GLY A 56 1.482 -0.575 -12.387 1.00 0.00 O ATOM 0 H GLY A 56 3.171 0.784 -11.740 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.910 -1.670 -10.870 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.824 -1.147 -9.598 1.00 0.00 H new ATOM 906 N ASP A 57 1.336 -2.540 -11.278 1.00 0.00 N ATOM 907 CA ASP A 57 0.189 -3.011 -12.036 1.00 0.00 C ATOM 908 C ASP A 57 -1.018 -2.124 -11.728 1.00 0.00 C ATOM 909 O ASP A 57 -1.546 -2.151 -10.618 1.00 0.00 O ATOM 910 CB ASP A 57 -0.171 -4.448 -11.655 1.00 0.00 C ATOM 911 CG ASP A 57 -1.631 -4.835 -11.898 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.492 -4.275 -11.186 1.00 0.00 O ATOM 913 OD2 ASP A 57 -1.854 -5.682 -12.789 1.00 0.00 O ATOM 0 H ASP A 57 1.669 -3.186 -10.563 1.00 0.00 H new ATOM 0 HA ASP A 57 0.445 -2.973 -13.095 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.468 -5.128 -12.218 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.058 -4.596 -10.600 1.00 0.00 H new ATOM 918 N ALA A 58 -1.422 -1.358 -12.731 1.00 0.00 N ATOM 919 CA ALA A 58 -2.558 -0.464 -12.583 1.00 0.00 C ATOM 920 C ALA A 58 -3.839 -1.207 -12.964 1.00 0.00 C ATOM 921 O ALA A 58 -4.938 -0.769 -12.629 1.00 0.00 O ATOM 922 CB ALA A 58 -2.335 0.790 -13.431 1.00 0.00 C ATOM 0 H ALA A 58 -0.982 -1.338 -13.651 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.661 -0.142 -11.547 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.187 1.461 -13.320 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.429 1.297 -13.100 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.230 0.507 -14.478 1.00 0.00 H new ATOM 928 N THR A 59 -3.655 -2.318 -13.661 1.00 0.00 N ATOM 929 CA THR A 59 -4.783 -3.127 -14.093 1.00 0.00 C ATOM 930 C THR A 59 -5.754 -3.351 -12.931 1.00 0.00 C ATOM 931 O THR A 59 -6.949 -3.093 -13.059 1.00 0.00 O ATOM 932 CB THR A 59 -4.234 -4.426 -14.686 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.021 -4.632 -15.857 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.541 -5.644 -13.812 1.00 0.00 C ATOM 0 H THR A 59 -2.742 -2.678 -13.938 1.00 0.00 H new ATOM 0 HA THR A 59 -5.361 -2.620 -14.865 1.00 0.00 H new ATOM 0 HB THR A 59 -3.156 -4.337 -14.819 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.366 -5.549 -15.862 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.130 -6.539 -14.278 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.092 -5.508 -12.828 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.620 -5.753 -13.706 1.00 0.00 H new ATOM 942 N GLU A 60 -5.202 -3.828 -11.825 1.00 0.00 N ATOM 943 CA GLU A 60 -6.005 -4.089 -10.642 1.00 0.00 C ATOM 944 C GLU A 60 -7.016 -2.962 -10.427 1.00 0.00 C ATOM 945 O GLU A 60 -8.068 -3.174 -9.826 1.00 0.00 O ATOM 946 CB GLU A 60 -5.119 -4.274 -9.409 1.00 0.00 C ATOM 947 CG GLU A 60 -4.135 -3.112 -9.262 1.00 0.00 C ATOM 948 CD GLU A 60 -4.505 -2.228 -8.069 1.00 0.00 C ATOM 949 OE1 GLU A 60 -4.421 -2.743 -6.933 1.00 0.00 O ATOM 950 OE2 GLU A 60 -4.865 -1.057 -8.320 1.00 0.00 O ATOM 0 H GLU A 60 -4.210 -4.040 -11.723 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.554 -5.018 -10.797 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.741 -4.343 -8.517 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.570 -5.212 -9.489 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.125 -3.500 -9.132 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.132 -2.515 -10.174 1.00 0.00 H new ATOM 957 N ASN A 61 -6.662 -1.789 -10.929 1.00 0.00 N ATOM 958 CA ASN A 61 -7.526 -0.628 -10.799 1.00 0.00 C ATOM 959 C ASN A 61 -8.198 -0.345 -12.144 1.00 0.00 C ATOM 960 O ASN A 61 -9.417 -0.195 -12.213 1.00 0.00 O ATOM 961 CB ASN A 61 -6.724 0.614 -10.401 1.00 0.00 C ATOM 962 CG ASN A 61 -7.356 1.310 -9.194 1.00 0.00 C ATOM 963 OD1 ASN A 61 -6.833 1.294 -8.092 1.00 0.00 O ATOM 964 ND2 ASN A 61 -8.507 1.921 -9.463 1.00 0.00 N ATOM 0 H ASN A 61 -5.788 -1.617 -11.427 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.265 -0.843 -10.027 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.699 0.329 -10.166 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.678 1.306 -11.242 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -9.007 2.415 -8.724 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.889 1.895 -10.408 1.00 0.00 H new ATOM 971 N PHE A 62 -7.374 -0.280 -13.179 1.00 0.00 N ATOM 972 CA PHE A 62 -7.875 -0.017 -14.518 1.00 0.00 C ATOM 973 C PHE A 62 -8.987 -0.999 -14.890 1.00 0.00 C ATOM 974 O PHE A 62 -9.737 -0.764 -15.836 1.00 0.00 O ATOM 975 CB PHE A 62 -6.700 -0.207 -15.480 1.00 0.00 C ATOM 976 CG PHE A 62 -7.041 -1.032 -16.723 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.404 -2.336 -16.596 1.00 0.00 C ATOM 978 CD2 PHE A 62 -6.982 -0.459 -17.955 1.00 0.00 C ATOM 979 CE1 PHE A 62 -7.721 -3.100 -17.750 1.00 0.00 C ATOM 980 CE2 PHE A 62 -7.299 -1.223 -19.109 1.00 0.00 C ATOM 981 CZ PHE A 62 -7.662 -2.528 -18.983 1.00 0.00 C ATOM 0 H PHE A 62 -6.363 -0.405 -13.118 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.285 0.991 -14.571 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.339 0.772 -15.794 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.882 -0.692 -14.947 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.451 -2.791 -15.618 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.694 0.577 -18.056 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.009 -4.136 -17.649 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.252 -0.768 -20.087 1.00 0.00 H new ATOM 0 HZ PHE A 62 -7.903 -3.109 -19.861 1.00 0.00 H new ATOM 991 N GLU A 63 -9.060 -2.079 -14.126 1.00 0.00 N ATOM 992 CA GLU A 63 -10.068 -3.097 -14.363 1.00 0.00 C ATOM 993 C GLU A 63 -11.412 -2.662 -13.773 1.00 0.00 C ATOM 994 O GLU A 63 -12.465 -2.951 -14.339 1.00 0.00 O ATOM 995 CB GLU A 63 -9.630 -4.447 -13.790 1.00 0.00 C ATOM 996 CG GLU A 63 -9.071 -5.352 -14.889 1.00 0.00 C ATOM 997 CD GLU A 63 -10.189 -6.143 -15.570 1.00 0.00 C ATOM 998 OE1 GLU A 63 -10.797 -6.984 -14.872 1.00 0.00 O ATOM 999 OE2 GLU A 63 -10.412 -5.890 -16.774 1.00 0.00 O ATOM 0 H GLU A 63 -8.437 -2.271 -13.342 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.187 -3.217 -15.440 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.873 -4.292 -13.021 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.478 -4.934 -13.309 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.545 -4.749 -15.629 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.342 -6.040 -14.462 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.330 -1.972 -12.645 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.526 -1.493 -11.973 1.00 0.00 C ATOM 1008 C ASP A 64 -13.130 -0.338 -12.776 1.00 0.00 C ATOM 1009 O ASP A 64 -14.324 -0.342 -13.074 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.201 -0.975 -10.572 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.173 -1.418 -9.476 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -12.921 -2.497 -8.896 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -14.145 -0.667 -9.242 1.00 0.00 O ATOM 0 H ASP A 64 -10.454 -1.733 -12.180 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.225 -2.326 -11.896 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.198 -1.306 -10.302 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.181 0.114 -10.600 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.278 0.622 -13.103 1.00 0.00 N ATOM 1019 CA VAL A 65 -12.712 1.780 -13.865 1.00 0.00 C ATOM 1020 C VAL A 65 -13.456 1.311 -15.117 1.00 0.00 C ATOM 1021 O VAL A 65 -14.203 2.079 -15.723 1.00 0.00 O ATOM 1022 CB VAL A 65 -11.513 2.676 -14.184 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.372 1.867 -14.804 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.922 3.836 -15.095 1.00 0.00 C ATOM 0 H VAL A 65 -11.289 0.622 -12.854 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.406 2.384 -13.280 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.152 3.098 -13.246 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.533 2.528 -15.021 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.053 1.093 -14.106 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.716 1.402 -15.728 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.052 4.457 -15.306 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.322 3.442 -16.029 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.685 4.437 -14.599 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.226 0.055 -15.468 1.00 0.00 N ATOM 1035 CA GLY A 66 -13.866 -0.526 -16.637 1.00 0.00 C ATOM 1036 C GLY A 66 -13.618 0.333 -17.880 1.00 0.00 C ATOM 1037 O GLY A 66 -14.522 1.019 -18.355 1.00 0.00 O ATOM 0 H GLY A 66 -12.605 -0.578 -14.964 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.483 -1.533 -16.804 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.938 -0.618 -16.462 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.389 0.264 -18.371 1.00 0.00 N ATOM 1042 CA HIS A 67 -12.011 1.026 -19.549 1.00 0.00 C ATOM 1043 C HIS A 67 -12.729 0.463 -20.777 1.00 0.00 C ATOM 1044 O HIS A 67 -13.511 -0.481 -20.664 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.490 1.053 -19.713 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.777 1.899 -18.685 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.077 1.354 -17.621 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.661 3.252 -18.569 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -8.569 2.345 -16.904 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.932 3.521 -17.492 1.00 0.00 N ATOM 0 H HIS A 67 -11.643 -0.307 -17.975 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.325 2.063 -19.431 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.110 0.033 -19.656 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.249 1.428 -20.708 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -8.971 0.359 -17.423 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -10.090 3.982 -19.240 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -7.972 2.240 -16.010 1.00 0.00 H new ATOM 1059 N SER A 68 -12.439 1.065 -21.921 1.00 0.00 N ATOM 1060 CA SER A 68 -13.048 0.634 -23.168 1.00 0.00 C ATOM 1061 C SER A 68 -12.029 -0.136 -24.009 1.00 0.00 C ATOM 1062 O SER A 68 -10.829 0.126 -23.933 1.00 0.00 O ATOM 1063 CB SER A 68 -13.591 1.828 -23.955 1.00 0.00 C ATOM 1064 OG SER A 68 -12.580 2.455 -24.741 1.00 0.00 O ATOM 0 H SER A 68 -11.791 1.847 -22.011 1.00 0.00 H new ATOM 0 HA SER A 68 -13.885 -0.023 -22.932 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.401 1.496 -24.604 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.015 2.555 -23.263 1.00 0.00 H new ATOM 0 HG SER A 68 -12.186 3.196 -24.236 1.00 0.00 H new ATOM 1070 N THR A 69 -12.543 -1.074 -24.793 1.00 0.00 N ATOM 1071 CA THR A 69 -11.693 -1.884 -25.646 1.00 0.00 C ATOM 1072 C THR A 69 -10.733 -0.997 -26.442 1.00 0.00 C ATOM 1073 O THR A 69 -9.688 -1.458 -26.898 1.00 0.00 O ATOM 1074 CB THR A 69 -12.595 -2.748 -26.530 1.00 0.00 C ATOM 1075 OG1 THR A 69 -12.953 -3.845 -25.694 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.834 -3.396 -27.689 1.00 0.00 C ATOM 0 H THR A 69 -13.538 -1.290 -24.854 1.00 0.00 H new ATOM 0 HA THR A 69 -11.060 -2.547 -25.056 1.00 0.00 H new ATOM 0 HB THR A 69 -13.407 -2.137 -26.925 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.540 -4.455 -26.188 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.521 -3.998 -28.284 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.395 -2.619 -28.316 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.043 -4.033 -27.294 1.00 0.00 H new ATOM 1084 N ASP A 70 -11.124 0.261 -26.584 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.311 1.218 -27.316 1.00 0.00 C ATOM 1086 C ASP A 70 -9.142 1.666 -26.438 1.00 0.00 C ATOM 1087 O ASP A 70 -7.997 1.688 -26.886 1.00 0.00 O ATOM 1088 CB ASP A 70 -11.124 2.459 -27.690 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.414 3.441 -28.624 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.659 2.953 -29.493 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.641 4.658 -28.448 1.00 0.00 O ATOM 0 H ASP A 70 -11.992 0.640 -26.205 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.955 0.732 -28.225 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.052 2.138 -28.163 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.398 2.985 -26.775 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.471 2.014 -25.202 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.463 2.461 -24.257 1.00 0.00 C ATOM 1098 C ALA A 71 -7.404 1.368 -24.091 1.00 0.00 C ATOM 1099 O ALA A 71 -6.212 1.659 -24.021 1.00 0.00 O ATOM 1100 CB ALA A 71 -9.132 2.829 -22.932 1.00 0.00 C ATOM 0 H ALA A 71 -10.422 1.995 -24.834 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.960 3.354 -24.628 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.375 3.164 -22.223 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.853 3.629 -23.098 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.645 1.956 -22.529 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.880 0.132 -24.035 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.990 -1.006 -23.880 1.00 0.00 C ATOM 1108 C ARG A 72 -6.118 -1.172 -25.126 1.00 0.00 C ATOM 1109 O ARG A 72 -4.910 -1.376 -25.019 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.780 -2.294 -23.643 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.870 -2.084 -22.590 1.00 0.00 C ATOM 1112 CD ARG A 72 -9.818 -3.284 -22.535 1.00 0.00 C ATOM 1113 NE ARG A 72 -9.182 -4.397 -21.795 1.00 0.00 N ATOM 1114 CZ ARG A 72 -9.755 -5.593 -21.600 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -10.979 -5.837 -22.088 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -9.104 -6.545 -20.917 1.00 0.00 N ATOM 0 H ARG A 72 -8.870 -0.106 -24.094 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.357 -0.817 -23.013 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.232 -2.625 -24.578 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.104 -3.085 -23.319 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.412 -1.933 -21.613 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.434 -1.180 -22.821 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.751 -2.999 -22.049 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.070 -3.605 -23.546 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.250 -4.244 -21.410 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.475 -5.113 -22.608 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.415 -6.747 -21.940 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.172 -6.359 -20.545 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.540 -7.455 -20.769 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.764 -1.077 -26.279 1.00 0.00 N ATOM 1131 CA GLU A 73 -6.063 -1.214 -27.543 1.00 0.00 C ATOM 1132 C GLU A 73 -5.078 -0.059 -27.732 1.00 0.00 C ATOM 1133 O GLU A 73 -3.984 -0.251 -28.262 1.00 0.00 O ATOM 1134 CB GLU A 73 -7.049 -1.290 -28.711 1.00 0.00 C ATOM 1135 CG GLU A 73 -6.931 -2.629 -29.443 1.00 0.00 C ATOM 1136 CD GLU A 73 -8.049 -2.791 -30.474 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -7.863 -2.278 -31.598 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -9.064 -3.424 -30.114 1.00 0.00 O ATOM 0 H GLU A 73 -7.766 -0.907 -26.364 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.499 -2.147 -27.524 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.066 -1.162 -28.341 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.858 -0.473 -29.407 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.962 -2.692 -29.939 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.974 -3.446 -28.723 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.500 1.116 -27.287 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.668 2.302 -27.400 1.00 0.00 C ATOM 1147 C LEU A 74 -3.385 2.098 -26.593 1.00 0.00 C ATOM 1148 O LEU A 74 -2.298 2.457 -27.046 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.456 3.550 -26.997 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.932 4.309 -25.777 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.905 5.366 -26.189 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -6.083 4.912 -24.969 1.00 0.00 C ATOM 0 H LEU A 74 -6.407 1.272 -26.848 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.371 2.462 -28.437 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.474 4.234 -27.846 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.488 3.257 -26.802 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.421 3.599 -25.127 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.548 5.891 -25.303 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.065 4.882 -26.687 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.370 6.078 -26.871 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.682 5.446 -24.107 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.644 5.605 -25.596 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.744 4.116 -24.627 1.00 0.00 H new ATOM 1164 N SER A 75 -3.551 1.522 -25.412 1.00 0.00 N ATOM 1165 CA SER A 75 -2.419 1.265 -24.538 1.00 0.00 C ATOM 1166 C SER A 75 -1.371 0.427 -25.271 1.00 0.00 C ATOM 1167 O SER A 75 -0.187 0.481 -24.943 1.00 0.00 O ATOM 1168 CB SER A 75 -2.862 0.558 -23.255 1.00 0.00 C ATOM 1169 OG SER A 75 -4.229 0.158 -23.312 1.00 0.00 O ATOM 0 H SER A 75 -4.453 1.226 -25.039 1.00 0.00 H new ATOM 0 HA SER A 75 -1.979 2.222 -24.259 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.234 -0.317 -23.088 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.714 1.223 -22.404 1.00 0.00 H new ATOM 0 HG SER A 75 -4.288 -0.755 -23.663 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.844 -0.330 -26.251 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.962 -1.179 -27.033 1.00 0.00 C ATOM 1177 C LYS A 76 0.035 -0.305 -27.797 1.00 0.00 C ATOM 1178 O LYS A 76 1.000 -0.811 -28.367 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.776 -2.112 -27.931 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.613 -1.734 -29.406 1.00 0.00 C ATOM 1181 CD LYS A 76 -2.450 -2.649 -30.301 1.00 0.00 C ATOM 1182 CE LYS A 76 -2.861 -1.930 -31.588 1.00 0.00 C ATOM 1183 NZ LYS A 76 -4.327 -2.000 -31.776 1.00 0.00 N ATOM 0 H LYS A 76 -2.827 -0.373 -26.521 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.380 -1.829 -26.380 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.454 -3.142 -27.778 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.829 -2.063 -27.653 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.915 -0.697 -29.555 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.563 -1.804 -29.689 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.879 -3.545 -30.547 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.340 -2.976 -29.763 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.543 -0.888 -31.547 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.357 -2.383 -32.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -4.564 -1.741 -32.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.656 -2.968 -31.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.793 -1.340 -31.121 1.00 0.00 H new ATOM 1197 N THR A 77 -0.232 0.993 -27.782 1.00 0.00 N ATOM 1198 CA THR A 77 0.630 1.941 -28.466 1.00 0.00 C ATOM 1199 C THR A 77 1.736 2.428 -27.529 1.00 0.00 C ATOM 1200 O THR A 77 2.748 2.962 -27.981 1.00 0.00 O ATOM 1201 CB THR A 77 -0.248 3.072 -29.008 1.00 0.00 C ATOM 1202 OG1 THR A 77 0.558 3.687 -30.010 1.00 0.00 O ATOM 1203 CG2 THR A 77 -0.476 4.181 -27.979 1.00 0.00 C ATOM 0 H THR A 77 -1.033 1.410 -27.307 1.00 0.00 H new ATOM 0 HA THR A 77 1.142 1.474 -29.308 1.00 0.00 H new ATOM 0 HB THR A 77 -1.210 2.666 -29.322 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.065 4.431 -30.415 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.105 4.958 -28.414 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.969 3.766 -27.100 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.483 4.611 -27.689 1.00 0.00 H new ATOM 1211 N PHE A 78 1.507 2.228 -26.240 1.00 0.00 N ATOM 1212 CA PHE A 78 2.472 2.639 -25.234 1.00 0.00 C ATOM 1213 C PHE A 78 3.240 1.435 -24.686 1.00 0.00 C ATOM 1214 O PHE A 78 4.309 1.592 -24.099 1.00 0.00 O ATOM 1215 CB PHE A 78 1.683 3.288 -24.095 1.00 0.00 C ATOM 1216 CG PHE A 78 0.641 4.308 -24.561 1.00 0.00 C ATOM 1217 CD1 PHE A 78 0.979 5.255 -25.476 1.00 0.00 C ATOM 1218 CD2 PHE A 78 -0.623 4.265 -24.061 1.00 0.00 C ATOM 1219 CE1 PHE A 78 0.013 6.201 -25.909 1.00 0.00 C ATOM 1220 CE2 PHE A 78 -1.589 5.212 -24.494 1.00 0.00 C ATOM 1221 CZ PHE A 78 -1.251 6.160 -25.409 1.00 0.00 C ATOM 0 H PHE A 78 0.666 1.786 -25.868 1.00 0.00 H new ATOM 0 HA PHE A 78 3.195 3.328 -25.672 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.182 2.507 -23.523 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.381 3.781 -23.418 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.983 5.288 -25.874 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.892 3.512 -23.335 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.282 6.953 -26.636 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.593 5.179 -24.096 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.986 6.880 -25.738 1.00 0.00 H new ATOM 1231 N ILE A 79 2.664 0.261 -24.896 1.00 0.00 N ATOM 1232 CA ILE A 79 3.281 -0.969 -24.430 1.00 0.00 C ATOM 1233 C ILE A 79 4.768 -0.958 -24.790 1.00 0.00 C ATOM 1234 O ILE A 79 5.126 -0.941 -25.966 1.00 0.00 O ATOM 1235 CB ILE A 79 2.527 -2.186 -24.971 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.357 -2.557 -24.058 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.476 -3.365 -25.195 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.104 -4.066 -24.077 1.00 0.00 C ATOM 0 H ILE A 79 1.776 0.135 -25.383 1.00 0.00 H new ATOM 0 HA ILE A 79 3.216 -1.039 -23.344 1.00 0.00 H new ATOM 0 HB ILE A 79 2.107 -1.923 -25.942 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.569 -2.233 -23.039 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.459 -2.030 -24.380 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.914 -4.216 -25.580 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.244 -3.082 -25.915 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.947 -3.638 -24.250 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.267 -4.303 -23.420 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.868 -4.383 -25.093 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.996 -4.589 -23.732 1.00 0.00 H new ATOM 1250 N ILE A 80 5.594 -0.965 -23.754 1.00 0.00 N ATOM 1251 CA ILE A 80 7.034 -0.955 -23.946 1.00 0.00 C ATOM 1252 C ILE A 80 7.596 -2.342 -23.628 1.00 0.00 C ATOM 1253 O ILE A 80 8.616 -2.746 -24.186 1.00 0.00 O ATOM 1254 CB ILE A 80 7.677 0.169 -23.131 1.00 0.00 C ATOM 1255 CG1 ILE A 80 7.167 0.161 -21.689 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.464 1.526 -23.806 1.00 0.00 C ATOM 1257 CD1 ILE A 80 8.138 0.891 -20.759 1.00 0.00 C ATOM 0 H ILE A 80 5.293 -0.977 -22.779 1.00 0.00 H new ATOM 0 HA ILE A 80 7.277 -0.742 -24.987 1.00 0.00 H new ATOM 0 HB ILE A 80 8.752 -0.008 -23.094 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.187 0.637 -21.644 1.00 0.00 H new ATOM 0 HG13 ILE A 80 7.038 -0.867 -21.351 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.931 2.308 -23.207 1.00 0.00 H new ATOM 0 HG22 ILE A 80 7.914 1.513 -24.799 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.396 1.725 -23.894 1.00 0.00 H new ATOM 0 HD11 ILE A 80 7.751 0.870 -19.740 1.00 0.00 H new ATOM 0 HD12 ILE A 80 9.110 0.398 -20.788 1.00 0.00 H new ATOM 0 HD13 ILE A 80 8.246 1.925 -21.085 1.00 0.00 H new ATOM 1269 N GLY A 81 6.907 -3.035 -22.733 1.00 0.00 N ATOM 1270 CA GLY A 81 7.324 -4.369 -22.335 1.00 0.00 C ATOM 1271 C GLY A 81 6.208 -5.089 -21.578 1.00 0.00 C ATOM 1272 O GLY A 81 5.027 -4.836 -21.817 1.00 0.00 O ATOM 0 H GLY A 81 6.062 -2.697 -22.272 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.600 -4.946 -23.218 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.212 -4.304 -21.706 1.00 0.00 H new ATOM 1276 N GLU A 82 6.619 -5.975 -20.683 1.00 0.00 N ATOM 1277 CA GLU A 82 5.667 -6.735 -19.890 1.00 0.00 C ATOM 1278 C GLU A 82 6.298 -7.152 -18.560 1.00 0.00 C ATOM 1279 O GLU A 82 7.519 -7.122 -18.411 1.00 0.00 O ATOM 1280 CB GLU A 82 5.160 -7.955 -20.663 1.00 0.00 C ATOM 1281 CG GLU A 82 5.174 -7.694 -22.170 1.00 0.00 C ATOM 1282 CD GLU A 82 4.766 -8.946 -22.948 1.00 0.00 C ATOM 1283 OE1 GLU A 82 4.889 -10.043 -22.361 1.00 0.00 O ATOM 1284 OE2 GLU A 82 4.339 -8.778 -24.111 1.00 0.00 O ATOM 0 H GLU A 82 7.598 -6.184 -20.489 1.00 0.00 H new ATOM 0 HA GLU A 82 4.809 -6.097 -19.679 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.783 -8.820 -20.434 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.147 -8.198 -20.342 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.493 -6.876 -22.407 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.171 -7.379 -22.479 1.00 0.00 H new ATOM 1291 N LEU A 83 5.437 -7.532 -17.627 1.00 0.00 N ATOM 1292 CA LEU A 83 5.894 -7.955 -16.315 1.00 0.00 C ATOM 1293 C LEU A 83 6.631 -9.290 -16.441 1.00 0.00 C ATOM 1294 O LEU A 83 6.078 -10.261 -16.955 1.00 0.00 O ATOM 1295 CB LEU A 83 4.727 -7.987 -15.326 1.00 0.00 C ATOM 1296 CG LEU A 83 5.103 -7.945 -13.843 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.569 -8.331 -13.638 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.779 -6.580 -13.233 1.00 0.00 C ATOM 0 H LEU A 83 4.425 -7.556 -17.754 1.00 0.00 H new ATOM 0 HA LEU A 83 6.606 -7.236 -15.910 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.073 -7.141 -15.539 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.147 -8.892 -15.508 1.00 0.00 H new ATOM 0 HG LEU A 83 4.499 -8.684 -13.317 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.810 -8.293 -12.576 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.735 -9.341 -14.012 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.208 -7.634 -14.180 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.056 -6.578 -12.179 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.339 -5.805 -13.757 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.711 -6.383 -13.328 1.00 0.00 H new ATOM 1310 N HIS A 84 7.867 -9.295 -15.964 1.00 0.00 N ATOM 1311 CA HIS A 84 8.685 -10.495 -16.016 1.00 0.00 C ATOM 1312 C HIS A 84 8.146 -11.527 -15.025 1.00 0.00 C ATOM 1313 O HIS A 84 7.110 -11.310 -14.397 1.00 0.00 O ATOM 1314 CB HIS A 84 10.157 -10.159 -15.780 1.00 0.00 C ATOM 1315 CG HIS A 84 11.082 -10.642 -16.873 1.00 0.00 C ATOM 1316 ND1 HIS A 84 10.810 -11.132 -18.116 1.00 0.00 N flip ATOM 1317 CD2 HIS A 84 12.459 -10.654 -16.739 1.00 0.00 C flip ATOM 1318 CE1 HIS A 84 11.960 -11.425 -18.712 1.00 0.00 C flip ATOM 1319 NE2 HIS A 84 12.983 -11.130 -17.860 1.00 0.00 N flip ATOM 0 H HIS A 84 8.322 -8.487 -15.540 1.00 0.00 H new ATOM 0 HA HIS A 84 8.628 -10.935 -17.012 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.261 -9.078 -15.682 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.471 -10.597 -14.833 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.012 -10.331 -15.870 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.067 -11.830 -19.707 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.977 -11.254 -18.052 1.00 0.00 H new ATOM 1328 N PRO A 85 8.892 -12.659 -14.912 1.00 0.00 N ATOM 1329 CA PRO A 85 8.500 -13.726 -14.006 1.00 0.00 C ATOM 1330 C PRO A 85 8.790 -13.347 -12.553 1.00 0.00 C ATOM 1331 O PRO A 85 8.656 -14.175 -11.653 1.00 0.00 O ATOM 1332 CB PRO A 85 9.283 -14.943 -14.471 1.00 0.00 C ATOM 1333 CG PRO A 85 10.426 -14.405 -15.317 1.00 0.00 C ATOM 1334 CD PRO A 85 10.123 -12.951 -15.639 1.00 0.00 C ATOM 0 HA PRO A 85 7.429 -13.925 -14.029 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.660 -15.513 -13.622 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.651 -15.616 -15.051 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.371 -14.488 -14.780 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.529 -14.986 -16.234 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.935 -12.297 -15.321 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.995 -12.801 -16.711 1.00 0.00 H new ATOM 1342 N ASP A 86 9.182 -12.095 -12.369 1.00 0.00 N ATOM 1343 CA ASP A 86 9.493 -11.597 -11.039 1.00 0.00 C ATOM 1344 C ASP A 86 8.191 -11.277 -10.302 1.00 0.00 C ATOM 1345 O ASP A 86 8.155 -11.274 -9.073 1.00 0.00 O ATOM 1346 CB ASP A 86 10.322 -10.313 -11.113 1.00 0.00 C ATOM 1347 CG ASP A 86 9.936 -9.235 -10.098 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.361 -9.376 -8.931 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.225 -8.294 -10.513 1.00 0.00 O ATOM 0 H ASP A 86 9.291 -11.411 -13.118 1.00 0.00 H new ATOM 0 HA ASP A 86 10.062 -12.365 -10.515 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.372 -10.567 -10.969 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.230 -9.896 -12.116 1.00 0.00 H new ATOM 1354 N ASP A 87 7.155 -11.014 -11.085 1.00 0.00 N ATOM 1355 CA ASP A 87 5.854 -10.694 -10.522 1.00 0.00 C ATOM 1356 C ASP A 87 4.784 -10.834 -11.607 1.00 0.00 C ATOM 1357 O ASP A 87 3.868 -10.017 -11.689 1.00 0.00 O ATOM 1358 CB ASP A 87 5.817 -9.255 -10.005 1.00 0.00 C ATOM 1359 CG ASP A 87 6.364 -9.063 -8.588 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.608 -9.366 -7.641 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.528 -8.617 -8.486 1.00 0.00 O ATOM 0 H ASP A 87 7.190 -11.016 -12.104 1.00 0.00 H new ATOM 0 HA ASP A 87 5.667 -11.380 -9.696 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.388 -8.625 -10.687 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.786 -8.902 -10.032 1.00 0.00 H new ATOM 1366 N ARG A 88 4.937 -11.875 -12.412 1.00 0.00 N ATOM 1367 CA ARG A 88 3.995 -12.133 -13.488 1.00 0.00 C ATOM 1368 C ARG A 88 2.683 -12.682 -12.926 1.00 0.00 C ATOM 1369 O ARG A 88 1.650 -12.017 -12.987 1.00 0.00 O ATOM 1370 CB ARG A 88 4.570 -13.131 -14.495 1.00 0.00 C ATOM 1371 CG ARG A 88 4.547 -12.556 -15.913 1.00 0.00 C ATOM 1372 CD ARG A 88 5.675 -13.145 -16.762 1.00 0.00 C ATOM 1373 NE ARG A 88 5.151 -13.560 -18.082 1.00 0.00 N ATOM 1374 CZ ARG A 88 4.384 -14.641 -18.281 1.00 0.00 C ATOM 1375 NH1 ARG A 88 4.048 -15.423 -17.247 1.00 0.00 N ATOM 1376 NH2 ARG A 88 3.955 -14.940 -19.515 1.00 0.00 N ATOM 0 H ARG A 88 5.699 -12.550 -12.341 1.00 0.00 H new ATOM 0 HA ARG A 88 3.807 -11.188 -13.998 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.594 -13.383 -14.218 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.994 -14.056 -14.465 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.586 -12.770 -16.380 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.647 -11.471 -15.871 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.467 -12.407 -16.891 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.117 -14.001 -16.251 1.00 0.00 H new ATOM 0 HE ARG A 88 5.389 -12.987 -18.892 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.376 -15.196 -16.308 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.464 -16.246 -17.398 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.212 -14.345 -20.302 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.371 -15.763 -19.667 1.00 0.00 H new ATOM 1390 N SER A 89 2.766 -13.892 -12.392 1.00 0.00 N ATOM 1391 CA SER A 89 1.597 -14.539 -11.819 1.00 0.00 C ATOM 1392 C SER A 89 1.115 -13.758 -10.595 1.00 0.00 C ATOM 1393 O SER A 89 0.112 -14.120 -9.981 1.00 0.00 O ATOM 1394 CB SER A 89 1.903 -15.989 -11.438 1.00 0.00 C ATOM 1395 OG SER A 89 2.888 -16.075 -10.411 1.00 0.00 O ATOM 0 H SER A 89 3.624 -14.441 -12.344 1.00 0.00 H new ATOM 0 HA SER A 89 0.807 -14.548 -12.570 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.987 -16.477 -11.104 1.00 0.00 H new ATOM 0 HB3 SER A 89 2.249 -16.530 -12.319 1.00 0.00 H new ATOM 0 HG SER A 89 3.054 -17.016 -10.195 1.00 0.00 H new ATOM 1401 N LYS A 90 1.851 -12.704 -10.278 1.00 0.00 N ATOM 1402 CA LYS A 90 1.509 -11.869 -9.139 1.00 0.00 C ATOM 1403 C LYS A 90 0.525 -10.784 -9.582 1.00 0.00 C ATOM 1404 O LYS A 90 -0.240 -10.267 -8.771 1.00 0.00 O ATOM 1405 CB LYS A 90 2.776 -11.318 -8.480 1.00 0.00 C ATOM 1406 CG LYS A 90 2.905 -11.814 -7.038 1.00 0.00 C ATOM 1407 CD LYS A 90 1.834 -11.187 -6.144 1.00 0.00 C ATOM 1408 CE LYS A 90 2.220 -11.294 -4.668 1.00 0.00 C ATOM 1409 NZ LYS A 90 1.484 -10.292 -3.866 1.00 0.00 N ATOM 0 H LYS A 90 2.683 -12.409 -10.789 1.00 0.00 H new ATOM 0 HA LYS A 90 1.008 -12.459 -8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.651 -11.624 -9.053 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.752 -10.228 -8.493 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.814 -12.900 -7.014 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.895 -11.569 -6.653 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.698 -10.139 -6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.879 -11.685 -6.311 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.000 -12.296 -4.300 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.293 -11.142 -4.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.758 -10.378 -2.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.715 -9.337 -4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.461 -10.455 -3.960 1.00 0.00 H new ATOM 1423 N ILE A 91 0.578 -10.474 -10.869 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.300 -9.461 -11.430 1.00 0.00 C ATOM 1425 C ILE A 91 -0.951 -10.005 -12.704 1.00 0.00 C ATOM 1426 O ILE A 91 -2.162 -9.892 -12.882 1.00 0.00 O ATOM 1427 CB ILE A 91 0.460 -8.150 -11.641 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.938 -8.018 -13.088 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.613 -8.019 -10.642 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.777 -6.753 -13.276 1.00 0.00 C ATOM 0 H ILE A 91 1.215 -10.906 -11.539 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.105 -9.228 -10.734 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.226 -7.324 -11.453 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.527 -8.893 -13.361 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.078 -7.991 -13.758 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.137 -7.079 -10.813 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.218 -8.035 -9.626 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.306 -8.850 -10.775 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.104 -6.684 -14.314 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.177 -5.878 -13.026 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.649 -6.794 -12.623 1.00 0.00 H new ATOM 1442 N THR A 92 -0.117 -10.582 -13.556 1.00 0.00 N ATOM 1443 CA THR A 92 -0.596 -11.144 -14.807 1.00 0.00 C ATOM 1444 C THR A 92 -2.005 -11.714 -14.631 1.00 0.00 C ATOM 1445 O THR A 92 -2.330 -12.261 -13.578 1.00 0.00 O ATOM 1446 CB THR A 92 0.425 -12.181 -15.282 1.00 0.00 C ATOM 1447 OG1 THR A 92 0.128 -12.351 -16.665 1.00 0.00 O ATOM 1448 CG2 THR A 92 0.180 -13.563 -14.674 1.00 0.00 C ATOM 0 H THR A 92 0.888 -10.672 -13.405 1.00 0.00 H new ATOM 0 HA THR A 92 -0.684 -10.377 -15.577 1.00 0.00 H new ATOM 0 HB THR A 92 1.430 -11.846 -15.027 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.744 -13.006 -17.054 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.931 -14.261 -15.043 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.246 -13.500 -13.588 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.812 -13.914 -14.957 1.00 0.00 H new ATOM 1456 N LYS A 93 -2.803 -11.569 -15.679 1.00 0.00 N ATOM 1457 CA LYS A 93 -4.169 -12.062 -15.653 1.00 0.00 C ATOM 1458 C LYS A 93 -4.982 -11.251 -14.642 1.00 0.00 C ATOM 1459 O LYS A 93 -4.791 -11.387 -13.435 1.00 0.00 O ATOM 1460 CB LYS A 93 -4.189 -13.570 -15.390 1.00 0.00 C ATOM 1461 CG LYS A 93 -4.188 -14.356 -16.702 1.00 0.00 C ATOM 1462 CD LYS A 93 -4.191 -15.863 -16.439 1.00 0.00 C ATOM 1463 CE LYS A 93 -5.617 -16.386 -16.256 1.00 0.00 C ATOM 1464 NZ LYS A 93 -5.674 -17.840 -16.521 1.00 0.00 N ATOM 0 H LYS A 93 -2.529 -11.117 -16.551 1.00 0.00 H new ATOM 0 HA LYS A 93 -4.642 -11.924 -16.625 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.321 -13.850 -14.794 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.073 -13.829 -14.807 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.063 -14.085 -17.293 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -3.310 -14.088 -17.290 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.714 -16.382 -17.271 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.603 -16.081 -15.548 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.958 -16.182 -15.241 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.293 -15.861 -16.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.649 -18.178 -16.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.369 -18.027 -17.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.044 -18.338 -15.860 1.00 0.00 H new ATOM 1478 N PRO A 94 -5.895 -10.402 -15.187 1.00 0.00 N ATOM 1479 CA PRO A 94 -6.737 -9.569 -14.345 1.00 0.00 C ATOM 1480 C PRO A 94 -7.844 -10.395 -13.689 1.00 0.00 C ATOM 1481 O PRO A 94 -8.240 -11.436 -14.211 1.00 0.00 O ATOM 1482 CB PRO A 94 -7.272 -8.489 -15.272 1.00 0.00 C ATOM 1483 CG PRO A 94 -7.085 -9.021 -16.684 1.00 0.00 C ATOM 1484 CD PRO A 94 -6.148 -10.215 -16.612 1.00 0.00 C ATOM 0 HA PRO A 94 -6.192 -9.127 -13.511 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.323 -8.285 -15.068 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.732 -7.552 -15.133 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.044 -9.314 -17.112 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -6.670 -8.248 -17.331 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.602 -11.102 -17.053 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.223 -10.026 -17.157 1.00 0.00 H new ATOM 1492 N SER A 95 -8.313 -9.900 -12.553 1.00 0.00 N ATOM 1493 CA SER A 95 -9.368 -10.579 -11.819 1.00 0.00 C ATOM 1494 C SER A 95 -9.731 -9.781 -10.566 1.00 0.00 C ATOM 1495 O SER A 95 -8.871 -9.143 -9.961 1.00 0.00 O ATOM 1496 CB SER A 95 -8.947 -12.001 -11.441 1.00 0.00 C ATOM 1497 OG SER A 95 -8.137 -12.023 -10.269 1.00 0.00 O ATOM 0 H SER A 95 -7.982 -9.037 -12.123 1.00 0.00 H new ATOM 0 HA SER A 95 -10.244 -10.648 -12.463 1.00 0.00 H new ATOM 0 HB2 SER A 95 -9.835 -12.611 -11.279 1.00 0.00 H new ATOM 0 HB3 SER A 95 -8.399 -12.449 -12.269 1.00 0.00 H new ATOM 0 HG SER A 95 -7.890 -12.948 -10.059 1.00 0.00 H new ATOM 1503 N GLU A 96 -11.007 -9.842 -10.213 1.00 0.00 N ATOM 1504 CA GLU A 96 -11.494 -9.133 -9.042 1.00 0.00 C ATOM 1505 C GLU A 96 -12.892 -9.629 -8.665 1.00 0.00 C ATOM 1506 O GLU A 96 -13.764 -9.749 -9.523 1.00 0.00 O ATOM 1507 CB GLU A 96 -11.494 -7.621 -9.277 1.00 0.00 C ATOM 1508 CG GLU A 96 -11.121 -6.867 -8.000 1.00 0.00 C ATOM 1509 CD GLU A 96 -9.618 -6.958 -7.729 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -8.871 -6.237 -8.427 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -9.249 -7.744 -6.830 1.00 0.00 O ATOM 0 H GLU A 96 -11.718 -10.371 -10.717 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.820 -9.338 -8.210 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -10.788 -7.373 -10.069 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -12.479 -7.302 -9.617 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.415 -5.821 -8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -11.672 -7.280 -7.155 1.00 0.00 H new ATOM 1518 N SER A 97 -13.059 -9.905 -7.380 1.00 0.00 N ATOM 1519 CA SER A 97 -14.335 -10.385 -6.877 1.00 0.00 C ATOM 1520 C SER A 97 -14.644 -9.738 -5.526 1.00 0.00 C ATOM 1521 O SER A 97 -14.090 -10.137 -4.503 1.00 0.00 O ATOM 1522 CB SER A 97 -14.338 -11.910 -6.749 1.00 0.00 C ATOM 1523 OG SER A 97 -13.348 -12.370 -5.833 1.00 0.00 O ATOM 0 H SER A 97 -12.332 -9.805 -6.672 1.00 0.00 H new ATOM 0 HA SER A 97 -15.110 -10.105 -7.591 1.00 0.00 H new ATOM 0 HB2 SER A 97 -15.321 -12.244 -6.418 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.162 -12.356 -7.728 1.00 0.00 H new ATOM 0 HG SER A 97 -13.295 -11.755 -5.072 1.00 0.00 H new ATOM 1529 N ILE A 98 -15.526 -8.751 -5.567 1.00 0.00 N ATOM 1530 CA ILE A 98 -15.914 -8.044 -4.358 1.00 0.00 C ATOM 1531 C ILE A 98 -17.441 -8.015 -4.258 1.00 0.00 C ATOM 1532 O ILE A 98 -18.132 -7.945 -5.273 1.00 0.00 O ATOM 1533 CB ILE A 98 -15.268 -6.658 -4.316 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -15.982 -5.692 -5.264 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -13.769 -6.743 -4.606 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -15.687 -6.038 -6.724 1.00 0.00 C ATOM 0 H ILE A 98 -15.983 -8.424 -6.418 1.00 0.00 H new ATOM 0 HA ILE A 98 -15.546 -8.567 -3.476 1.00 0.00 H new ATOM 0 HB ILE A 98 -15.378 -6.260 -3.307 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -17.057 -5.731 -5.087 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -15.662 -4.671 -5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -13.334 -5.744 -4.570 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -13.289 -7.375 -3.859 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -13.614 -7.171 -5.596 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -16.207 -5.336 -7.376 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -14.614 -5.974 -6.903 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -16.030 -7.051 -6.934 1.00 0.00 H new ATOM 1548 N ILE A 99 -17.922 -8.070 -3.024 1.00 0.00 N ATOM 1549 CA ILE A 99 -19.355 -8.050 -2.779 1.00 0.00 C ATOM 1550 C ILE A 99 -19.818 -6.602 -2.607 1.00 0.00 C ATOM 1551 O ILE A 99 -19.350 -5.898 -1.713 1.00 0.00 O ATOM 1552 CB ILE A 99 -19.708 -8.953 -1.595 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -19.128 -8.401 -0.291 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -19.264 -10.395 -1.854 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -20.213 -7.720 0.545 1.00 0.00 C ATOM 0 H ILE A 99 -17.346 -8.128 -2.184 1.00 0.00 H new ATOM 0 HA ILE A 99 -19.894 -8.458 -3.634 1.00 0.00 H new ATOM 0 HB ILE A 99 -20.792 -8.964 -1.486 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -18.677 -9.211 0.282 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -18.335 -7.688 -0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -19.527 -11.016 -0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -19.764 -10.775 -2.745 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -18.185 -10.422 -2.004 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -19.775 -7.336 1.466 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -20.645 -6.896 -0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -20.993 -8.442 0.787 1.00 0.00 H new ATOM 1567 N THR A 100 -20.732 -6.199 -3.477 1.00 0.00 N ATOM 1568 CA THR A 100 -21.264 -4.848 -3.433 1.00 0.00 C ATOM 1569 C THR A 100 -22.630 -4.835 -2.743 1.00 0.00 C ATOM 1570 O THR A 100 -23.592 -5.407 -3.251 1.00 0.00 O ATOM 1571 CB THR A 100 -21.302 -4.308 -4.864 1.00 0.00 C ATOM 1572 OG1 THR A 100 -19.929 -4.140 -5.208 1.00 0.00 O ATOM 1573 CG2 THR A 100 -21.882 -2.894 -4.940 1.00 0.00 C ATOM 0 H THR A 100 -21.118 -6.785 -4.217 1.00 0.00 H new ATOM 0 HA THR A 100 -20.628 -4.192 -2.839 1.00 0.00 H new ATOM 0 HB THR A 100 -21.893 -4.977 -5.489 1.00 0.00 H new ATOM 0 HG1 THR A 100 -19.861 -3.794 -6.122 1.00 0.00 H new ATOM 0 HG21 THR A 100 -21.887 -2.558 -5.977 1.00 0.00 H new ATOM 0 HG22 THR A 100 -22.902 -2.898 -4.555 1.00 0.00 H new ATOM 0 HG23 THR A 100 -21.271 -2.218 -4.342 1.00 0.00 H new ATOM 1581 N THR A 101 -22.669 -4.176 -1.594 1.00 0.00 N ATOM 1582 CA THR A 101 -23.901 -4.081 -0.828 1.00 0.00 C ATOM 1583 C THR A 101 -23.840 -2.893 0.135 1.00 0.00 C ATOM 1584 O THR A 101 -23.664 -3.074 1.338 1.00 0.00 O ATOM 1585 CB THR A 101 -24.127 -5.421 -0.127 1.00 0.00 C ATOM 1586 OG1 THR A 101 -25.318 -5.222 0.628 1.00 0.00 O ATOM 1587 CG2 THR A 101 -23.061 -5.715 0.930 1.00 0.00 C ATOM 0 H THR A 101 -21.868 -3.703 -1.175 1.00 0.00 H new ATOM 0 HA THR A 101 -24.756 -3.890 -1.476 1.00 0.00 H new ATOM 0 HB THR A 101 -24.135 -6.221 -0.867 1.00 0.00 H new ATOM 0 HG1 THR A 101 -25.539 -6.044 1.114 1.00 0.00 H new ATOM 0 HG21 THR A 101 -23.268 -6.678 1.398 1.00 0.00 H new ATOM 0 HG22 THR A 101 -22.079 -5.744 0.458 1.00 0.00 H new ATOM 0 HG23 THR A 101 -23.075 -4.933 1.689 1.00 0.00 H new ATOM 1595 N ILE A 102 -23.988 -1.704 -0.432 1.00 0.00 N ATOM 1596 CA ILE A 102 -23.951 -0.487 0.362 1.00 0.00 C ATOM 1597 C ILE A 102 -25.297 0.230 0.249 1.00 0.00 C ATOM 1598 O ILE A 102 -26.211 -0.257 -0.417 1.00 0.00 O ATOM 1599 CB ILE A 102 -22.757 0.379 -0.041 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -22.788 0.695 -1.537 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -21.439 -0.275 0.379 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -21.783 1.794 -1.887 1.00 0.00 C ATOM 0 H ILE A 102 -24.134 -1.558 -1.431 1.00 0.00 H new ATOM 0 HA ILE A 102 -23.802 -0.723 1.416 1.00 0.00 H new ATOM 0 HB ILE A 102 -22.830 1.328 0.490 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -22.560 -0.206 -2.107 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -23.791 1.010 -1.825 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -20.606 0.361 0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -21.426 -0.406 1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -21.345 -1.247 -0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -21.826 1.999 -2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -22.028 2.701 -1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -20.778 1.466 -1.620 1.00 0.00 H new ATOM 1614 N ASP A 103 -25.379 1.376 0.909 1.00 0.00 N ATOM 1615 CA ASP A 103 -26.598 2.166 0.891 1.00 0.00 C ATOM 1616 C ASP A 103 -26.321 3.539 1.506 1.00 0.00 C ATOM 1617 O ASP A 103 -26.439 3.716 2.717 1.00 0.00 O ATOM 1618 CB ASP A 103 -27.701 1.495 1.711 1.00 0.00 C ATOM 1619 CG ASP A 103 -28.923 2.372 1.992 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -29.170 3.280 1.170 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -29.583 2.113 3.022 1.00 0.00 O ATOM 0 H ASP A 103 -24.620 1.777 1.460 1.00 0.00 H new ATOM 0 HA ASP A 103 -26.924 2.259 -0.145 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -28.029 0.598 1.185 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -27.279 1.170 2.662 1.00 0.00 H new ATOM 1626 N SER A 104 -25.955 4.476 0.642 1.00 0.00 N ATOM 1627 CA SER A 104 -25.661 5.828 1.086 1.00 0.00 C ATOM 1628 C SER A 104 -25.253 6.692 -0.109 1.00 0.00 C ATOM 1629 O SER A 104 -25.976 6.766 -1.101 1.00 0.00 O ATOM 1630 CB SER A 104 -24.556 5.831 2.144 1.00 0.00 C ATOM 1631 OG SER A 104 -24.196 7.153 2.536 1.00 0.00 O ATOM 0 H SER A 104 -25.856 4.325 -0.362 1.00 0.00 H new ATOM 0 HA SER A 104 -26.561 6.244 1.538 1.00 0.00 H new ATOM 0 HB2 SER A 104 -24.890 5.272 3.018 1.00 0.00 H new ATOM 0 HB3 SER A 104 -23.678 5.317 1.753 1.00 0.00 H new ATOM 0 HG SER A 104 -23.489 7.112 3.214 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -8.117 5.256 -17.495 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.735 7.103 -18.592 1.00 0.00 C HETATM 1640 CHB HEM A 105 -7.058 4.820 -20.739 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.611 3.219 -16.383 1.00 0.00 C HETATM 1642 CHD HEM A 105 -9.029 5.847 -14.253 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.783 5.837 -19.278 1.00 0.00 N HETATM 1644 C1A HEM A 105 -9.930 6.518 -19.561 1.00 0.00 C HETATM 1645 C2A HEM A 105 -10.137 6.591 -21.020 1.00 0.00 C HETATM 1646 C3A HEM A 105 -9.059 6.013 -21.639 1.00 0.00 C HETATM 1647 C4A HEM A 105 -8.214 5.556 -20.559 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.798 5.868 -23.137 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.364 7.164 -21.702 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.555 6.226 -21.585 1.00 0.00 C HETATM 1651 CGA HEM A 105 -12.155 4.766 -21.633 1.00 0.00 C HETATM 1652 O1A HEM A 105 -11.828 4.201 -20.572 1.00 0.00 O HETATM 1653 O2A HEM A 105 -12.122 4.181 -22.731 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.646 4.268 -18.359 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.326 4.206 -19.726 1.00 0.00 C HETATM 1656 C2B HEM A 105 -5.161 3.368 -19.956 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.795 2.865 -18.722 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.696 3.454 -17.758 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.559 3.035 -21.322 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.921 1.804 -18.392 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.635 1.553 -18.813 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.460 4.657 -15.711 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.424 3.770 -15.438 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.279 3.510 -13.990 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.254 4.261 -13.398 1.00 0.00 C HETATM 1666 C4C HEM A 105 -7.958 4.989 -14.462 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.241 2.541 -13.368 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.553 4.353 -12.030 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.556 4.445 -11.072 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.604 6.240 -16.593 1.00 0.00 N HETATM 1671 C1D HEM A 105 -9.811 6.429 -15.222 1.00 0.00 C HETATM 1672 C2D HEM A 105 -10.911 7.324 -14.977 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.349 7.707 -16.188 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.582 6.994 -17.203 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.503 7.722 -13.633 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.377 8.775 -16.470 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.754 8.166 -16.561 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.507 8.642 -17.781 1.00 0.00 C HETATM 1679 O1D HEM A 105 -13.840 8.976 -18.782 1.00 0.00 O HETATM 1680 O2D HEM A 105 -15.760 8.669 -17.748 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.748 5.799 -23.667 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -8.214 4.966 -23.319 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -8.245 6.736 -23.496 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -3.486 2.877 -21.218 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -4.739 3.861 -22.010 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -5.023 2.130 -21.713 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -4.965 2.893 -12.374 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -4.353 2.504 -14.000 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -5.674 1.544 -13.293 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.380 6.903 -12.924 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.564 7.941 -13.753 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -10.990 8.607 -13.257 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -2.104 0.673 -18.449 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -2.147 2.234 -19.510 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -6.819 4.515 -10.017 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.509 4.447 -11.374 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -13.256 6.433 -22.393 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -13.078 6.425 -20.650 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -11.145 7.346 -22.754 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.613 8.127 -21.256 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.321 8.418 -15.665 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.668 7.080 -16.590 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -12.135 9.285 -17.403 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.356 9.527 -15.681 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.562 7.702 -18.944 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.692 4.712 -21.749 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.838 2.546 -16.041 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.272 6.080 -13.227 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.329 1.071 -17.696 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.596 4.352 -11.713 1.00 0.00 H new