USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=29 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 75 SER OG : rot 92:sc= -2.11! USER MOD Set 1.2: A 105 HEM CMB :methyl 150:sc= -4.51! (180deg=-4.32!) USER MOD Set 2.1: A 53 GLN : amide:sc= -13.9! C(o=-26!,f=-30!) USER MOD Set 2.2: A 105 HEM CMC :methyl -30:sc= -12.6! (180deg=-12.1!) USER MOD Set 3.1: A 31 TYR OH : rot 180:sc= -0.156 USER MOD Set 3.2: A 92 THR OG1 : rot 79:sc= 1.16 USER MOD Set 4.1: A 25 THR OG1 : rot -139:sc= 0.401 USER MOD Set 4.2: A 37 THR OG1 : rot 49:sc= -0.416 USER MOD Set 5.1: A 19 HIS : no HE2:sc= -1.34 K(o=-1.7,f=-2.4!) USER MOD Set 5.2: A 24 SER OG : rot 180:sc= -0.318 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.147 USER MOD Single : A 17 GLN : amide:sc= -0.329 K(o=-0.33,f=-2!) USER MOD Single : A 18 LYS NZ :NH3+ -136:sc= -0.404 (180deg=-1.31!) USER MOD Single : A 20 ASN :FLIP amide:sc= -4.93! C(o=-5.6!,f=-4.9!) USER MOD Single : A 21 ASN : amide:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -161:sc= 1.25 (180deg=0.94) USER MOD Single : A 34 TYR OH : rot 18:sc= 0.578 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -140:sc= -1.58! USER MOD Single : A 61 ASN : amide:sc= -0.926 K(o=-0.93,f=-2.8!) USER MOD Single : A 68 SER OG : rot -98:sc= 0.282 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -12.3! C(o=-12!,f=-14!) USER MOD Single : A 89 SER OG : rot -41:sc= 0.0215 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.061 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -5.47! (180deg=-5.47!) USER MOD Single : A 105 HEM CMD :methyl -30:sc= 0 (180deg=-0.209) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 30.790 2.878 -37.725 1.00 0.00 N ATOM 2 CA ALA A 1 30.069 1.660 -37.403 1.00 0.00 C ATOM 3 C ALA A 1 29.485 1.775 -35.993 1.00 0.00 C ATOM 4 O ALA A 1 30.197 2.103 -35.047 1.00 0.00 O ATOM 5 CB ALA A 1 31.006 0.458 -37.548 1.00 0.00 C ATOM 0 H1 ALA A 1 31.188 2.803 -38.683 1.00 0.00 H new ATOM 0 H2 ALA A 1 30.139 3.688 -37.683 1.00 0.00 H new ATOM 0 H3 ALA A 1 31.560 3.017 -37.040 1.00 0.00 H new ATOM 0 HA ALA A 1 29.239 1.513 -38.094 1.00 0.00 H new ATOM 0 HB1 ALA A 1 30.465 -0.457 -37.306 1.00 0.00 H new ATOM 0 HB2 ALA A 1 31.371 0.403 -38.573 1.00 0.00 H new ATOM 0 HB3 ALA A 1 31.850 0.571 -36.868 1.00 0.00 H new ATOM 11 N GLU A 2 28.192 1.498 -35.900 1.00 0.00 N ATOM 12 CA GLU A 2 27.503 1.568 -34.622 1.00 0.00 C ATOM 13 C GLU A 2 26.043 1.138 -34.783 1.00 0.00 C ATOM 14 O GLU A 2 25.522 1.104 -35.896 1.00 0.00 O ATOM 15 CB GLU A 2 27.598 2.973 -34.023 1.00 0.00 C ATOM 16 CG GLU A 2 26.887 3.997 -34.911 1.00 0.00 C ATOM 17 CD GLU A 2 27.886 4.988 -35.511 1.00 0.00 C ATOM 18 OE1 GLU A 2 28.541 5.690 -34.709 1.00 0.00 O ATOM 19 OE2 GLU A 2 27.973 5.023 -36.757 1.00 0.00 O ATOM 0 H GLU A 2 27.604 1.225 -36.688 1.00 0.00 H new ATOM 0 HA GLU A 2 27.990 0.881 -33.930 1.00 0.00 H new ATOM 0 HB2 GLU A 2 27.154 2.979 -33.028 1.00 0.00 H new ATOM 0 HB3 GLU A 2 28.645 3.252 -33.906 1.00 0.00 H new ATOM 0 HG2 GLU A 2 26.354 3.483 -35.711 1.00 0.00 H new ATOM 0 HG3 GLU A 2 26.141 4.536 -34.326 1.00 0.00 H new ATOM 26 N GLU A 3 25.426 0.820 -33.654 1.00 0.00 N ATOM 27 CA GLU A 3 24.037 0.394 -33.654 1.00 0.00 C ATOM 28 C GLU A 3 23.591 0.036 -32.235 1.00 0.00 C ATOM 29 O GLU A 3 24.421 -0.138 -31.345 1.00 0.00 O ATOM 30 CB GLU A 3 23.825 -0.783 -34.609 1.00 0.00 C ATOM 31 CG GLU A 3 22.575 -0.574 -35.467 1.00 0.00 C ATOM 32 CD GLU A 3 22.024 -1.912 -35.965 1.00 0.00 C ATOM 33 OE1 GLU A 3 22.457 -2.333 -37.060 1.00 0.00 O ATOM 34 OE2 GLU A 3 21.181 -2.484 -35.239 1.00 0.00 O ATOM 0 H GLU A 3 25.863 0.849 -32.733 1.00 0.00 H new ATOM 0 HA GLU A 3 23.423 1.222 -34.008 1.00 0.00 H new ATOM 0 HB2 GLU A 3 24.698 -0.896 -35.252 1.00 0.00 H new ATOM 0 HB3 GLU A 3 23.729 -1.707 -34.038 1.00 0.00 H new ATOM 0 HG2 GLU A 3 21.812 -0.056 -34.885 1.00 0.00 H new ATOM 0 HG3 GLU A 3 22.815 0.064 -36.317 1.00 0.00 H new ATOM 41 N SER A 4 22.279 -0.062 -32.070 1.00 0.00 N ATOM 42 CA SER A 4 21.712 -0.395 -30.774 1.00 0.00 C ATOM 43 C SER A 4 20.185 -0.405 -30.858 1.00 0.00 C ATOM 44 O SER A 4 19.614 -0.041 -31.884 1.00 0.00 O ATOM 45 CB SER A 4 22.179 0.589 -29.698 1.00 0.00 C ATOM 46 OG SER A 4 21.830 1.932 -30.018 1.00 0.00 O ATOM 0 H SER A 4 21.594 0.083 -32.811 1.00 0.00 H new ATOM 0 HA SER A 4 22.060 -1.389 -30.494 1.00 0.00 H new ATOM 0 HB2 SER A 4 21.735 0.317 -28.740 1.00 0.00 H new ATOM 0 HB3 SER A 4 23.260 0.513 -29.581 1.00 0.00 H new ATOM 0 HG SER A 4 22.143 2.530 -29.307 1.00 0.00 H new ATOM 52 N SER A 5 19.566 -0.825 -29.763 1.00 0.00 N ATOM 53 CA SER A 5 18.116 -0.887 -29.700 1.00 0.00 C ATOM 54 C SER A 5 17.649 -0.751 -28.250 1.00 0.00 C ATOM 55 O SER A 5 18.466 -0.618 -27.341 1.00 0.00 O ATOM 56 CB SER A 5 17.594 -2.190 -30.307 1.00 0.00 C ATOM 57 OG SER A 5 16.633 -1.954 -31.333 1.00 0.00 O ATOM 0 H SER A 5 20.043 -1.125 -28.913 1.00 0.00 H new ATOM 0 HA SER A 5 17.712 -0.059 -30.283 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.429 -2.759 -30.716 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.145 -2.801 -29.524 1.00 0.00 H new ATOM 0 HG SER A 5 16.325 -2.811 -31.696 1.00 0.00 H new ATOM 63 N LYS A 6 16.336 -0.791 -28.079 1.00 0.00 N ATOM 64 CA LYS A 6 15.751 -0.674 -26.755 1.00 0.00 C ATOM 65 C LYS A 6 14.333 -1.251 -26.775 1.00 0.00 C ATOM 66 O LYS A 6 13.583 -1.029 -27.725 1.00 0.00 O ATOM 67 CB LYS A 6 15.818 0.774 -26.264 1.00 0.00 C ATOM 68 CG LYS A 6 14.902 1.677 -27.093 1.00 0.00 C ATOM 69 CD LYS A 6 14.347 2.822 -26.244 1.00 0.00 C ATOM 70 CE LYS A 6 15.124 4.115 -26.491 1.00 0.00 C ATOM 71 NZ LYS A 6 15.935 4.469 -25.305 1.00 0.00 N ATOM 0 H LYS A 6 15.661 -0.903 -28.835 1.00 0.00 H new ATOM 0 HA LYS A 6 16.324 -1.257 -26.034 1.00 0.00 H new ATOM 0 HB2 LYS A 6 15.527 0.820 -25.215 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.844 1.136 -26.326 1.00 0.00 H new ATOM 0 HG2 LYS A 6 15.455 2.083 -27.940 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.079 1.090 -27.501 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.294 2.976 -26.479 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.402 2.556 -25.188 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.772 3.996 -27.359 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.431 4.925 -26.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.456 5.350 -25.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 15.310 4.603 -24.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.610 3.703 -25.105 1.00 0.00 H new ATOM 85 N ALA A 7 14.008 -1.980 -25.717 1.00 0.00 N ATOM 86 CA ALA A 7 12.695 -2.589 -25.602 1.00 0.00 C ATOM 87 C ALA A 7 12.663 -3.492 -24.369 1.00 0.00 C ATOM 88 O ALA A 7 12.933 -4.688 -24.462 1.00 0.00 O ATOM 89 CB ALA A 7 12.371 -3.350 -26.890 1.00 0.00 C ATOM 0 H ALA A 7 14.633 -2.162 -24.931 1.00 0.00 H new ATOM 0 HA ALA A 7 11.928 -1.826 -25.472 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.385 -3.807 -26.804 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.378 -2.659 -27.733 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.119 -4.127 -27.052 1.00 0.00 H new ATOM 95 N VAL A 8 12.330 -2.885 -23.239 1.00 0.00 N ATOM 96 CA VAL A 8 12.259 -3.620 -21.987 1.00 0.00 C ATOM 97 C VAL A 8 11.758 -5.039 -22.261 1.00 0.00 C ATOM 98 O VAL A 8 12.473 -6.011 -22.022 1.00 0.00 O ATOM 99 CB VAL A 8 11.386 -2.862 -20.983 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.453 -1.884 -21.699 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.597 -3.830 -20.102 1.00 0.00 C ATOM 0 H VAL A 8 12.106 -1.893 -23.164 1.00 0.00 H new ATOM 0 HA VAL A 8 13.249 -3.705 -21.538 1.00 0.00 H new ATOM 0 HB VAL A 8 12.044 -2.283 -20.335 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.844 -1.358 -20.964 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.045 -1.163 -22.262 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.805 -2.433 -22.382 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.985 -3.265 -19.398 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.953 -4.449 -20.727 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.289 -4.467 -19.551 1.00 0.00 H new ATOM 111 N LYS A 9 10.534 -5.114 -22.759 1.00 0.00 N ATOM 112 CA LYS A 9 9.928 -6.398 -23.069 1.00 0.00 C ATOM 113 C LYS A 9 9.444 -7.055 -21.773 1.00 0.00 C ATOM 114 O LYS A 9 8.266 -7.392 -21.646 1.00 0.00 O ATOM 115 CB LYS A 9 10.897 -7.267 -23.872 1.00 0.00 C ATOM 116 CG LYS A 9 10.259 -7.732 -25.183 1.00 0.00 C ATOM 117 CD LYS A 9 11.163 -8.730 -25.908 1.00 0.00 C ATOM 118 CE LYS A 9 10.880 -8.733 -27.412 1.00 0.00 C ATOM 119 NZ LYS A 9 11.405 -9.968 -28.036 1.00 0.00 N ATOM 0 H LYS A 9 9.944 -4.306 -22.956 1.00 0.00 H new ATOM 0 HA LYS A 9 9.053 -6.263 -23.705 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.805 -6.703 -24.085 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.191 -8.133 -23.279 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.293 -8.193 -24.978 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.072 -6.872 -25.826 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.208 -8.475 -25.731 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.006 -9.730 -25.503 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.807 -8.659 -27.586 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.339 -7.860 -27.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.204 -9.954 -29.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.433 -10.023 -27.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.947 -10.796 -27.605 1.00 0.00 H new ATOM 133 N TYR A 10 10.375 -7.215 -20.844 1.00 0.00 N ATOM 134 CA TYR A 10 10.056 -7.824 -19.564 1.00 0.00 C ATOM 135 C TYR A 10 10.718 -7.062 -18.415 1.00 0.00 C ATOM 136 O TYR A 10 11.944 -7.044 -18.301 1.00 0.00 O ATOM 137 CB TYR A 10 10.631 -9.241 -19.617 1.00 0.00 C ATOM 138 CG TYR A 10 11.411 -9.549 -20.897 1.00 0.00 C ATOM 139 CD1 TYR A 10 12.676 -9.024 -21.075 1.00 0.00 C ATOM 140 CD2 TYR A 10 10.852 -10.350 -21.872 1.00 0.00 C ATOM 141 CE1 TYR A 10 13.412 -9.313 -22.280 1.00 0.00 C ATOM 142 CE2 TYR A 10 11.589 -10.638 -23.076 1.00 0.00 C ATOM 143 CZ TYR A 10 12.831 -10.106 -23.219 1.00 0.00 C ATOM 144 OH TYR A 10 13.526 -10.379 -24.356 1.00 0.00 O ATOM 0 H TYR A 10 11.349 -6.934 -20.952 1.00 0.00 H new ATOM 0 HA TYR A 10 8.980 -7.815 -19.392 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.288 -9.388 -18.759 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.815 -9.957 -19.520 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.113 -8.397 -20.312 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.863 -10.761 -21.733 1.00 0.00 H new ATOM 0 HE1 TYR A 10 14.402 -8.909 -22.433 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.164 -11.263 -23.848 1.00 0.00 H new ATOM 0 HH TYR A 10 12.989 -10.958 -24.937 1.00 0.00 H new ATOM 154 N TYR A 11 9.880 -6.449 -17.591 1.00 0.00 N ATOM 155 CA TYR A 11 10.369 -5.687 -16.456 1.00 0.00 C ATOM 156 C TYR A 11 9.762 -6.203 -15.148 1.00 0.00 C ATOM 157 O TYR A 11 8.823 -6.996 -15.165 1.00 0.00 O ATOM 158 CB TYR A 11 9.908 -4.247 -16.685 1.00 0.00 C ATOM 159 CG TYR A 11 11.038 -3.286 -17.062 1.00 0.00 C ATOM 160 CD1 TYR A 11 12.155 -3.759 -17.718 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.938 -1.946 -16.747 1.00 0.00 C ATOM 162 CE1 TYR A 11 13.217 -2.853 -18.074 1.00 0.00 C ATOM 163 CE2 TYR A 11 12.000 -1.041 -17.102 1.00 0.00 C ATOM 164 CZ TYR A 11 13.088 -1.539 -17.748 1.00 0.00 C ATOM 165 OH TYR A 11 14.092 -0.685 -18.084 1.00 0.00 O ATOM 0 H TYR A 11 8.865 -6.465 -17.688 1.00 0.00 H new ATOM 0 HA TYR A 11 11.453 -5.771 -16.375 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.158 -4.238 -17.475 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.422 -3.883 -15.780 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.234 -4.808 -17.965 1.00 0.00 H new ATOM 0 HD2 TYR A 11 10.063 -1.576 -16.234 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.097 -3.210 -18.589 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.934 0.010 -16.861 1.00 0.00 H new ATOM 0 HH TYR A 11 13.863 0.221 -17.790 1.00 0.00 H new ATOM 175 N THR A 12 10.325 -5.730 -14.045 1.00 0.00 N ATOM 176 CA THR A 12 9.851 -6.132 -12.732 1.00 0.00 C ATOM 177 C THR A 12 9.052 -5.001 -12.084 1.00 0.00 C ATOM 178 O THR A 12 9.291 -3.827 -12.362 1.00 0.00 O ATOM 179 CB THR A 12 11.063 -6.570 -11.907 1.00 0.00 C ATOM 180 OG1 THR A 12 11.750 -5.354 -11.627 1.00 0.00 O ATOM 181 CG2 THR A 12 12.065 -7.387 -12.724 1.00 0.00 C ATOM 0 H THR A 12 11.105 -5.072 -14.034 1.00 0.00 H new ATOM 0 HA THR A 12 9.163 -6.975 -12.800 1.00 0.00 H new ATOM 0 HB THR A 12 10.727 -7.159 -11.054 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.549 -5.545 -11.093 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.905 -7.672 -12.090 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.578 -8.284 -13.105 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.428 -6.788 -13.559 1.00 0.00 H new ATOM 189 N LEU A 13 8.115 -5.393 -11.231 1.00 0.00 N ATOM 190 CA LEU A 13 7.278 -4.427 -10.541 1.00 0.00 C ATOM 191 C LEU A 13 8.153 -3.292 -10.006 1.00 0.00 C ATOM 192 O LEU A 13 7.743 -2.131 -10.012 1.00 0.00 O ATOM 193 CB LEU A 13 6.438 -5.117 -9.465 1.00 0.00 C ATOM 194 CG LEU A 13 5.005 -5.477 -9.861 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.204 -5.955 -8.648 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.322 -4.306 -10.572 1.00 0.00 C ATOM 0 H LEU A 13 7.918 -6.367 -11.003 1.00 0.00 H new ATOM 0 HA LEU A 13 6.563 -3.980 -11.231 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.950 -6.030 -9.162 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.400 -4.468 -8.590 1.00 0.00 H new ATOM 0 HG LEU A 13 5.045 -6.306 -10.568 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.189 -6.204 -8.957 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.681 -6.838 -8.222 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.171 -5.164 -7.899 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.305 -4.588 -10.843 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.294 -3.443 -9.907 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.880 -4.052 -11.473 1.00 0.00 H new ATOM 208 N GLU A 14 9.341 -3.666 -9.552 1.00 0.00 N ATOM 209 CA GLU A 14 10.277 -2.694 -9.014 1.00 0.00 C ATOM 210 C GLU A 14 10.692 -1.699 -10.100 1.00 0.00 C ATOM 211 O GLU A 14 10.601 -0.488 -9.905 1.00 0.00 O ATOM 212 CB GLU A 14 11.499 -3.387 -8.408 1.00 0.00 C ATOM 213 CG GLU A 14 11.619 -3.081 -6.915 1.00 0.00 C ATOM 214 CD GLU A 14 13.015 -3.426 -6.395 1.00 0.00 C ATOM 215 OE1 GLU A 14 13.986 -3.087 -7.106 1.00 0.00 O ATOM 216 OE2 GLU A 14 13.082 -4.020 -5.296 1.00 0.00 O ATOM 0 H GLU A 14 9.676 -4.629 -9.546 1.00 0.00 H new ATOM 0 HA GLU A 14 9.780 -2.143 -8.215 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.422 -4.464 -8.557 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.401 -3.058 -8.924 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.412 -2.025 -6.739 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.871 -3.649 -6.362 1.00 0.00 H new ATOM 223 N GLU A 15 11.140 -2.247 -11.220 1.00 0.00 N ATOM 224 CA GLU A 15 11.570 -1.423 -12.336 1.00 0.00 C ATOM 225 C GLU A 15 10.473 -0.423 -12.711 1.00 0.00 C ATOM 226 O GLU A 15 10.761 0.726 -13.042 1.00 0.00 O ATOM 227 CB GLU A 15 11.958 -2.286 -13.538 1.00 0.00 C ATOM 228 CG GLU A 15 13.340 -1.896 -14.068 1.00 0.00 C ATOM 229 CD GLU A 15 14.131 -3.135 -14.495 1.00 0.00 C ATOM 230 OE1 GLU A 15 13.505 -4.214 -14.561 1.00 0.00 O ATOM 231 OE2 GLU A 15 15.345 -2.974 -14.745 1.00 0.00 O ATOM 0 H GLU A 15 11.214 -3.252 -11.378 1.00 0.00 H new ATOM 0 HA GLU A 15 12.455 -0.865 -12.030 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.958 -3.337 -13.251 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.216 -2.171 -14.328 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.231 -1.219 -14.915 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.890 -1.356 -13.297 1.00 0.00 H new ATOM 238 N ILE A 16 9.238 -0.896 -12.645 1.00 0.00 N ATOM 239 CA ILE A 16 8.097 -0.058 -12.975 1.00 0.00 C ATOM 240 C ILE A 16 7.841 0.920 -11.827 1.00 0.00 C ATOM 241 O ILE A 16 7.494 2.078 -12.059 1.00 0.00 O ATOM 242 CB ILE A 16 6.883 -0.921 -13.328 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.282 -2.075 -14.250 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.761 -0.070 -13.927 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.658 -3.392 -13.781 1.00 0.00 C ATOM 0 H ILE A 16 9.002 -1.849 -12.368 1.00 0.00 H new ATOM 0 HA ILE A 16 8.306 0.538 -13.863 1.00 0.00 H new ATOM 0 HB ILE A 16 6.497 -1.361 -12.409 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.961 -1.859 -15.269 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.368 -2.170 -14.271 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.910 -0.707 -14.169 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.454 0.687 -13.205 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.119 0.417 -14.834 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.957 -4.196 -14.453 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.000 -3.617 -12.771 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.572 -3.302 -13.784 1.00 0.00 H new ATOM 257 N GLN A 17 8.021 0.420 -10.613 1.00 0.00 N ATOM 258 CA GLN A 17 7.815 1.237 -9.429 1.00 0.00 C ATOM 259 C GLN A 17 8.734 2.460 -9.461 1.00 0.00 C ATOM 260 O GLN A 17 8.390 3.512 -8.926 1.00 0.00 O ATOM 261 CB GLN A 17 8.034 0.419 -8.155 1.00 0.00 C ATOM 262 CG GLN A 17 7.055 0.841 -7.058 1.00 0.00 C ATOM 263 CD GLN A 17 7.796 1.180 -5.761 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.945 0.824 -5.562 1.00 0.00 O ATOM 265 NE2 GLN A 17 7.076 1.889 -4.898 1.00 0.00 N ATOM 0 H GLN A 17 8.307 -0.541 -10.424 1.00 0.00 H new ATOM 0 HA GLN A 17 6.782 1.584 -9.426 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.907 -0.641 -8.373 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.058 0.552 -7.805 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.482 1.707 -7.390 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.341 0.038 -6.874 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.118 2.154 -5.129 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.481 2.169 -4.005 1.00 0.00 H new ATOM 274 N LYS A 18 9.885 2.279 -10.093 1.00 0.00 N ATOM 275 CA LYS A 18 10.854 3.356 -10.201 1.00 0.00 C ATOM 276 C LYS A 18 10.333 4.410 -11.180 1.00 0.00 C ATOM 277 O LYS A 18 10.615 5.597 -11.027 1.00 0.00 O ATOM 278 CB LYS A 18 12.231 2.800 -10.570 1.00 0.00 C ATOM 279 CG LYS A 18 12.674 1.723 -9.578 1.00 0.00 C ATOM 280 CD LYS A 18 13.434 2.340 -8.402 1.00 0.00 C ATOM 281 CE LYS A 18 14.761 2.944 -8.865 1.00 0.00 C ATOM 282 NZ LYS A 18 14.661 4.419 -8.938 1.00 0.00 N ATOM 0 H LYS A 18 10.168 1.404 -10.535 1.00 0.00 H new ATOM 0 HA LYS A 18 10.982 3.852 -9.239 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.200 2.382 -11.576 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.962 3.609 -10.584 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.802 1.183 -9.209 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.309 0.996 -10.085 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.823 3.111 -7.934 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.621 1.578 -7.645 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.556 2.661 -8.176 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.029 2.543 -9.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.103 4.754 -9.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.660 4.700 -8.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.150 4.841 -8.123 1.00 0.00 H new ATOM 296 N HIS A 19 9.583 3.937 -12.165 1.00 0.00 N ATOM 297 CA HIS A 19 9.021 4.825 -13.169 1.00 0.00 C ATOM 298 C HIS A 19 7.655 5.329 -12.700 1.00 0.00 C ATOM 299 O HIS A 19 6.635 4.688 -12.943 1.00 0.00 O ATOM 300 CB HIS A 19 8.961 4.133 -14.532 1.00 0.00 C ATOM 301 CG HIS A 19 10.315 3.776 -15.101 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.814 2.485 -15.092 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.264 4.554 -15.695 1.00 0.00 C ATOM 304 CE1 HIS A 19 12.013 2.498 -15.657 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.289 3.781 -16.030 1.00 0.00 N ATOM 0 H HIS A 19 9.352 2.951 -12.289 1.00 0.00 H new ATOM 0 HA HIS A 19 9.667 5.694 -13.295 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.366 3.224 -14.441 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.443 4.784 -15.236 1.00 0.00 H new ATOM 0 HD1 HIS A 19 10.340 1.664 -14.715 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.193 5.618 -15.864 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.658 1.643 -15.797 1.00 0.00 H new ATOM 314 N ASN A 20 7.681 6.475 -12.034 1.00 0.00 N ATOM 315 CA ASN A 20 6.459 7.075 -11.529 1.00 0.00 C ATOM 316 C ASN A 20 6.510 8.588 -11.745 1.00 0.00 C ATOM 317 O ASN A 20 5.855 9.345 -11.027 1.00 0.00 O ATOM 318 CB ASN A 20 6.297 6.815 -10.030 1.00 0.00 C ATOM 319 CG ASN A 20 4.820 6.696 -9.650 1.00 0.00 C ATOM 320 OD1 ASN A 20 3.998 7.364 -10.454 1.00 0.00 O flip ATOM 321 ND2 ASN A 20 4.450 6.039 -8.690 1.00 0.00 N flip ATOM 0 H ASN A 20 8.530 7.003 -11.833 1.00 0.00 H new ATOM 0 HA ASN A 20 5.620 6.632 -12.065 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.821 5.899 -9.758 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.757 7.626 -9.465 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.134 5.550 -8.113 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.457 5.979 -8.465 1.00 0.00 H new ATOM 328 N ASN A 21 7.295 8.987 -12.734 1.00 0.00 N ATOM 329 CA ASN A 21 7.441 10.397 -13.052 1.00 0.00 C ATOM 330 C ASN A 21 6.675 10.706 -14.341 1.00 0.00 C ATOM 331 O ASN A 21 6.394 9.806 -15.132 1.00 0.00 O ATOM 332 CB ASN A 21 8.909 10.762 -13.276 1.00 0.00 C ATOM 333 CG ASN A 21 9.704 10.663 -11.972 1.00 0.00 C ATOM 334 OD1 ASN A 21 9.503 11.414 -11.033 1.00 0.00 O ATOM 335 ND2 ASN A 21 10.615 9.694 -11.968 1.00 0.00 N ATOM 0 H ASN A 21 7.837 8.358 -13.326 1.00 0.00 H new ATOM 0 HA ASN A 21 7.050 10.974 -12.214 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.343 10.096 -14.022 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.979 11.775 -13.673 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.197 9.545 -11.144 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.732 9.100 -12.789 1.00 0.00 H new ATOM 342 N SER A 22 6.360 11.981 -14.512 1.00 0.00 N ATOM 343 CA SER A 22 5.633 12.420 -15.691 1.00 0.00 C ATOM 344 C SER A 22 6.523 12.299 -16.930 1.00 0.00 C ATOM 345 O SER A 22 6.068 12.529 -18.050 1.00 0.00 O ATOM 346 CB SER A 22 5.140 13.859 -15.530 1.00 0.00 C ATOM 347 OG SER A 22 6.191 14.805 -15.707 1.00 0.00 O ATOM 0 H SER A 22 6.595 12.724 -13.854 1.00 0.00 H new ATOM 0 HA SER A 22 4.761 11.778 -15.814 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.350 14.055 -16.255 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.702 13.984 -14.540 1.00 0.00 H new ATOM 0 HG SER A 22 5.836 15.712 -15.598 1.00 0.00 H new ATOM 353 N LYS A 23 7.774 11.938 -16.688 1.00 0.00 N ATOM 354 CA LYS A 23 8.732 11.784 -17.770 1.00 0.00 C ATOM 355 C LYS A 23 9.185 10.324 -17.839 1.00 0.00 C ATOM 356 O LYS A 23 10.096 9.988 -18.594 1.00 0.00 O ATOM 357 CB LYS A 23 9.882 12.779 -17.614 1.00 0.00 C ATOM 358 CG LYS A 23 9.978 13.702 -18.832 1.00 0.00 C ATOM 359 CD LYS A 23 11.420 14.161 -19.060 1.00 0.00 C ATOM 360 CE LYS A 23 11.458 15.521 -19.758 1.00 0.00 C ATOM 361 NZ LYS A 23 12.837 15.842 -20.194 1.00 0.00 N ATOM 0 H LYS A 23 8.147 11.747 -15.758 1.00 0.00 H new ATOM 0 HA LYS A 23 8.267 12.020 -18.727 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.733 13.374 -16.713 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.820 12.239 -17.488 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.614 13.181 -19.717 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.335 14.570 -18.687 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.941 14.224 -18.105 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.949 13.424 -19.664 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.790 15.513 -20.620 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.095 16.294 -19.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.845 16.769 -20.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.465 15.870 -19.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.170 15.113 -20.857 1.00 0.00 H new ATOM 375 N SER A 24 8.530 9.495 -17.039 1.00 0.00 N ATOM 376 CA SER A 24 8.856 8.080 -16.999 1.00 0.00 C ATOM 377 C SER A 24 7.873 7.342 -16.087 1.00 0.00 C ATOM 378 O SER A 24 8.235 6.922 -14.990 1.00 0.00 O ATOM 379 CB SER A 24 10.293 7.858 -16.521 1.00 0.00 C ATOM 380 OG SER A 24 11.058 7.111 -17.462 1.00 0.00 O ATOM 0 H SER A 24 7.775 9.777 -16.414 1.00 0.00 H new ATOM 0 HA SER A 24 8.773 7.682 -18.010 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.771 8.822 -16.349 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.281 7.333 -15.566 1.00 0.00 H new ATOM 0 HG SER A 24 11.969 6.992 -17.122 1.00 0.00 H new ATOM 386 N THR A 25 6.649 7.209 -16.576 1.00 0.00 N ATOM 387 CA THR A 25 5.611 6.530 -15.818 1.00 0.00 C ATOM 388 C THR A 25 5.318 5.157 -16.427 1.00 0.00 C ATOM 389 O THR A 25 4.731 5.064 -17.504 1.00 0.00 O ATOM 390 CB THR A 25 4.387 7.445 -15.767 1.00 0.00 C ATOM 391 OG1 THR A 25 4.589 8.356 -16.844 1.00 0.00 O ATOM 392 CG2 THR A 25 4.371 8.336 -14.523 1.00 0.00 C ATOM 0 H THR A 25 6.353 7.559 -17.487 1.00 0.00 H new ATOM 0 HA THR A 25 5.932 6.336 -14.795 1.00 0.00 H new ATOM 0 HB THR A 25 3.481 6.839 -15.790 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.330 9.258 -16.562 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.481 8.965 -14.537 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.360 7.713 -13.629 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.260 8.966 -14.515 1.00 0.00 H new ATOM 400 N TRP A 26 5.741 4.126 -15.710 1.00 0.00 N ATOM 401 CA TRP A 26 5.533 2.761 -16.166 1.00 0.00 C ATOM 402 C TRP A 26 4.475 2.119 -15.266 1.00 0.00 C ATOM 403 O TRP A 26 4.446 2.369 -14.062 1.00 0.00 O ATOM 404 CB TRP A 26 6.850 1.984 -16.191 1.00 0.00 C ATOM 405 CG TRP A 26 7.916 2.594 -17.105 1.00 0.00 C ATOM 406 CD1 TRP A 26 8.125 3.889 -17.376 1.00 0.00 C ATOM 407 CD2 TRP A 26 8.915 1.876 -17.858 1.00 0.00 C ATOM 408 NE1 TRP A 26 9.184 4.058 -18.249 1.00 0.00 N ATOM 409 CE2 TRP A 26 9.678 2.794 -18.549 1.00 0.00 C ATOM 410 CE3 TRP A 26 9.167 0.495 -17.952 1.00 0.00 C ATOM 411 CZ2 TRP A 26 10.743 2.434 -19.385 1.00 0.00 C ATOM 412 CZ3 TRP A 26 10.234 0.152 -18.789 1.00 0.00 C ATOM 413 CH2 TRP A 26 11.011 1.064 -19.493 1.00 0.00 C ATOM 0 H TRP A 26 6.227 4.208 -14.817 1.00 0.00 H new ATOM 0 HA TRP A 26 5.170 2.748 -17.194 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.245 1.927 -15.177 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.651 0.962 -16.514 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.540 4.699 -16.965 1.00 0.00 H new ATOM 0 HE1 TRP A 26 9.537 4.946 -18.606 1.00 0.00 H new ATOM 0 HE3 TRP A 26 8.583 -0.242 -17.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 11.325 3.172 -19.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 10.471 -0.896 -18.896 1.00 0.00 H new ATOM 0 HH2 TRP A 26 11.818 0.717 -20.121 1.00 0.00 H new ATOM 424 N LEU A 27 3.634 1.304 -15.885 1.00 0.00 N ATOM 425 CA LEU A 27 2.578 0.623 -15.154 1.00 0.00 C ATOM 426 C LEU A 27 2.274 -0.713 -15.833 1.00 0.00 C ATOM 427 O LEU A 27 2.751 -0.975 -16.938 1.00 0.00 O ATOM 428 CB LEU A 27 1.356 1.532 -15.009 1.00 0.00 C ATOM 429 CG LEU A 27 0.349 1.492 -16.161 1.00 0.00 C ATOM 430 CD1 LEU A 27 1.057 1.623 -17.511 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.517 0.233 -16.087 1.00 0.00 C ATOM 0 H LEU A 27 3.662 1.100 -16.884 1.00 0.00 H new ATOM 0 HA LEU A 27 2.901 0.398 -14.138 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.836 1.265 -14.089 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.703 2.558 -14.892 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.319 2.348 -16.063 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.320 1.592 -18.313 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.595 2.570 -17.549 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.762 0.800 -17.634 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.224 0.229 -16.916 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.119 -0.650 -16.148 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.064 0.222 -15.144 1.00 0.00 H new ATOM 443 N ILE A 28 1.483 -1.523 -15.147 1.00 0.00 N ATOM 444 CA ILE A 28 1.108 -2.826 -15.670 1.00 0.00 C ATOM 445 C ILE A 28 -0.377 -2.819 -16.032 1.00 0.00 C ATOM 446 O ILE A 28 -1.206 -2.342 -15.258 1.00 0.00 O ATOM 447 CB ILE A 28 1.495 -3.930 -14.684 1.00 0.00 C ATOM 448 CG1 ILE A 28 2.519 -3.423 -13.667 1.00 0.00 C ATOM 449 CG2 ILE A 28 1.990 -5.176 -15.422 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.918 -3.354 -14.283 1.00 0.00 C ATOM 0 H ILE A 28 1.090 -1.302 -14.232 1.00 0.00 H new ATOM 0 HA ILE A 28 1.658 -3.040 -16.586 1.00 0.00 H new ATOM 0 HB ILE A 28 0.603 -4.218 -14.127 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.225 -2.435 -13.312 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.532 -4.083 -12.799 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.258 -5.945 -14.698 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.201 -5.551 -16.073 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.864 -4.921 -16.021 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.626 -2.990 -13.538 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.219 -4.348 -14.615 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.907 -2.675 -15.135 1.00 0.00 H new ATOM 462 N LEU A 29 -0.670 -3.350 -17.209 1.00 0.00 N ATOM 463 CA LEU A 29 -2.042 -3.411 -17.683 1.00 0.00 C ATOM 464 C LEU A 29 -2.330 -4.815 -18.220 1.00 0.00 C ATOM 465 O LEU A 29 -1.770 -5.222 -19.236 1.00 0.00 O ATOM 466 CB LEU A 29 -2.307 -2.298 -18.699 1.00 0.00 C ATOM 467 CG LEU A 29 -3.571 -1.466 -18.468 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.078 -0.862 -19.778 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.648 -2.290 -17.762 1.00 0.00 C ATOM 0 H LEU A 29 0.020 -3.743 -17.850 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.737 -3.235 -16.862 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.449 -1.626 -18.704 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.367 -2.745 -19.691 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.317 -0.636 -17.809 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.977 -0.276 -19.585 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.309 -0.217 -20.203 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.310 -1.662 -20.481 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.535 -1.675 -17.610 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.906 -3.154 -18.375 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.272 -2.629 -16.797 1.00 0.00 H new ATOM 481 N HIS A 30 -3.205 -5.515 -17.513 1.00 0.00 N ATOM 482 CA HIS A 30 -3.574 -6.865 -17.906 1.00 0.00 C ATOM 483 C HIS A 30 -2.432 -7.828 -17.573 1.00 0.00 C ATOM 484 O HIS A 30 -2.663 -8.905 -17.026 1.00 0.00 O ATOM 485 CB HIS A 30 -3.977 -6.911 -19.381 1.00 0.00 C ATOM 486 CG HIS A 30 -4.527 -8.244 -19.826 1.00 0.00 C ATOM 487 ND1 HIS A 30 -3.767 -9.180 -20.505 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.770 -8.790 -19.683 1.00 0.00 C ATOM 489 CE1 HIS A 30 -4.527 -10.236 -20.754 1.00 0.00 C ATOM 490 NE2 HIS A 30 -5.768 -9.992 -20.244 1.00 0.00 N ATOM 0 H HIS A 30 -3.669 -5.173 -16.671 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.449 -7.185 -17.340 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.725 -6.141 -19.567 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -3.108 -6.666 -19.992 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.613 -8.322 -19.195 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.218 -11.133 -21.270 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.564 -10.629 -20.287 1.00 0.00 H new ATOM 499 N TYR A 31 -1.225 -7.403 -17.918 1.00 0.00 N ATOM 500 CA TYR A 31 -0.046 -8.214 -17.663 1.00 0.00 C ATOM 501 C TYR A 31 1.184 -7.627 -18.358 1.00 0.00 C ATOM 502 O TYR A 31 2.305 -8.073 -18.125 1.00 0.00 O ATOM 503 CB TYR A 31 -0.345 -9.591 -18.259 1.00 0.00 C ATOM 504 CG TYR A 31 -0.215 -10.743 -17.261 1.00 0.00 C ATOM 505 CD1 TYR A 31 0.661 -10.641 -16.200 1.00 0.00 C ATOM 506 CD2 TYR A 31 -0.972 -11.884 -17.422 1.00 0.00 C ATOM 507 CE1 TYR A 31 0.785 -11.724 -15.259 1.00 0.00 C ATOM 508 CE2 TYR A 31 -0.850 -12.969 -16.481 1.00 0.00 C ATOM 509 CZ TYR A 31 0.022 -12.835 -15.447 1.00 0.00 C ATOM 510 OH TYR A 31 0.138 -13.859 -14.560 1.00 0.00 O ATOM 0 H TYR A 31 -1.038 -6.509 -18.371 1.00 0.00 H new ATOM 0 HA TYR A 31 0.166 -8.258 -16.595 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.357 -9.588 -18.665 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.333 -9.769 -19.094 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.255 -9.748 -16.075 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.657 -11.965 -18.253 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.467 -11.656 -14.424 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.438 -13.868 -16.595 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.467 -14.586 -14.818 1.00 0.00 H new ATOM 520 N LYS A 32 0.931 -6.634 -19.198 1.00 0.00 N ATOM 521 CA LYS A 32 2.004 -5.980 -19.929 1.00 0.00 C ATOM 522 C LYS A 32 2.347 -4.656 -19.245 1.00 0.00 C ATOM 523 O LYS A 32 1.597 -4.176 -18.398 1.00 0.00 O ATOM 524 CB LYS A 32 1.635 -5.832 -21.405 1.00 0.00 C ATOM 525 CG LYS A 32 0.752 -6.993 -21.869 1.00 0.00 C ATOM 526 CD LYS A 32 1.518 -8.318 -21.817 1.00 0.00 C ATOM 527 CE LYS A 32 0.887 -9.352 -22.752 1.00 0.00 C ATOM 528 NZ LYS A 32 1.476 -10.690 -22.517 1.00 0.00 N ATOM 0 H LYS A 32 -0.001 -6.266 -19.389 1.00 0.00 H new ATOM 0 HA LYS A 32 2.906 -6.592 -19.911 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.112 -4.888 -21.560 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.542 -5.797 -22.008 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.134 -7.056 -21.238 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.406 -6.808 -22.886 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.558 -8.153 -22.100 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.522 -8.700 -20.796 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.190 -9.389 -22.590 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.043 -9.056 -23.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.293 -11.299 -23.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.502 -10.598 -22.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.047 -11.114 -21.670 1.00 0.00 H new ATOM 542 N VAL A 33 3.485 -4.100 -19.639 1.00 0.00 N ATOM 543 CA VAL A 33 3.937 -2.841 -19.073 1.00 0.00 C ATOM 544 C VAL A 33 3.814 -1.740 -20.131 1.00 0.00 C ATOM 545 O VAL A 33 4.333 -1.876 -21.237 1.00 0.00 O ATOM 546 CB VAL A 33 5.359 -2.990 -18.532 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.830 -1.699 -17.860 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.455 -4.175 -17.567 1.00 0.00 C ATOM 0 H VAL A 33 4.106 -4.499 -20.343 1.00 0.00 H new ATOM 0 HA VAL A 33 3.310 -2.555 -18.228 1.00 0.00 H new ATOM 0 HB VAL A 33 6.019 -3.188 -19.376 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.844 -1.833 -17.484 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.816 -0.885 -18.585 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.165 -1.457 -17.031 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.476 -4.260 -17.196 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.776 -4.018 -16.729 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.181 -5.092 -18.089 1.00 0.00 H new ATOM 558 N TYR A 34 3.124 -0.675 -19.751 1.00 0.00 N ATOM 559 CA TYR A 34 2.926 0.449 -20.651 1.00 0.00 C ATOM 560 C TYR A 34 3.576 1.717 -20.098 1.00 0.00 C ATOM 561 O TYR A 34 3.800 1.830 -18.893 1.00 0.00 O ATOM 562 CB TYR A 34 1.413 0.660 -20.736 1.00 0.00 C ATOM 563 CG TYR A 34 0.623 -0.613 -21.046 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.599 -1.649 -20.136 1.00 0.00 C ATOM 565 CD2 TYR A 34 -0.066 -0.724 -22.238 1.00 0.00 C ATOM 566 CE1 TYR A 34 -0.145 -2.847 -20.429 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.810 -1.922 -22.530 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.813 -2.924 -21.612 1.00 0.00 C ATOM 569 OH TYR A 34 -1.514 -4.056 -21.888 1.00 0.00 O ATOM 0 H TYR A 34 2.695 -0.566 -18.832 1.00 0.00 H new ATOM 0 HA TYR A 34 3.375 0.245 -21.623 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.061 1.073 -19.791 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.203 1.402 -21.506 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.138 -1.562 -19.204 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.047 0.087 -22.951 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.172 -3.666 -19.725 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.353 -2.022 -23.458 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.671 -4.554 -21.059 1.00 0.00 H new ATOM 579 N ASP A 35 3.862 2.642 -21.003 1.00 0.00 N ATOM 580 CA ASP A 35 4.482 3.898 -20.619 1.00 0.00 C ATOM 581 C ASP A 35 3.414 4.994 -20.567 1.00 0.00 C ATOM 582 O ASP A 35 3.093 5.601 -21.587 1.00 0.00 O ATOM 583 CB ASP A 35 5.544 4.321 -21.635 1.00 0.00 C ATOM 584 CG ASP A 35 5.150 4.128 -23.100 1.00 0.00 C ATOM 585 OD1 ASP A 35 4.154 4.765 -23.509 1.00 0.00 O ATOM 586 OD2 ASP A 35 5.852 3.351 -23.781 1.00 0.00 O ATOM 0 H ASP A 35 3.676 2.546 -22.001 1.00 0.00 H new ATOM 0 HA ASP A 35 4.950 3.759 -19.645 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.781 5.373 -21.474 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.456 3.755 -21.442 1.00 0.00 H new ATOM 591 N LEU A 36 2.895 5.213 -19.368 1.00 0.00 N ATOM 592 CA LEU A 36 1.871 6.224 -19.169 1.00 0.00 C ATOM 593 C LEU A 36 2.448 7.601 -19.507 1.00 0.00 C ATOM 594 O LEU A 36 1.703 8.532 -19.810 1.00 0.00 O ATOM 595 CB LEU A 36 1.291 6.130 -17.756 1.00 0.00 C ATOM 596 CG LEU A 36 0.522 4.848 -17.431 1.00 0.00 C ATOM 597 CD1 LEU A 36 -0.182 4.961 -16.077 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.453 4.494 -18.556 1.00 0.00 C ATOM 0 H LEU A 36 3.165 4.707 -18.524 1.00 0.00 H new ATOM 0 HA LEU A 36 1.032 6.054 -19.844 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.108 6.231 -17.042 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.625 6.979 -17.601 1.00 0.00 H new ATOM 0 HG LEU A 36 1.237 4.029 -17.355 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.722 4.037 -15.869 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.558 5.133 -15.295 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.885 5.794 -16.101 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.987 3.579 -18.300 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.168 5.306 -18.687 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.100 4.344 -19.483 1.00 0.00 H new ATOM 610 N THR A 37 3.768 7.687 -19.443 1.00 0.00 N ATOM 611 CA THR A 37 4.453 8.933 -19.739 1.00 0.00 C ATOM 612 C THR A 37 4.161 9.373 -21.175 1.00 0.00 C ATOM 613 O THR A 37 4.339 10.541 -21.517 1.00 0.00 O ATOM 614 CB THR A 37 5.943 8.732 -19.455 1.00 0.00 C ATOM 615 OG1 THR A 37 6.163 9.436 -18.236 1.00 0.00 O ATOM 616 CG2 THR A 37 6.833 9.455 -20.469 1.00 0.00 C ATOM 0 H THR A 37 4.382 6.913 -19.190 1.00 0.00 H new ATOM 0 HA THR A 37 4.093 9.743 -19.105 1.00 0.00 H new ATOM 0 HB THR A 37 6.174 7.667 -19.462 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.479 9.180 -17.582 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.881 9.281 -20.223 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.627 9.075 -21.470 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.626 10.525 -20.437 1.00 0.00 H new ATOM 624 N LYS A 38 3.719 8.416 -21.975 1.00 0.00 N ATOM 625 CA LYS A 38 3.402 8.692 -23.367 1.00 0.00 C ATOM 626 C LYS A 38 1.886 8.832 -23.520 1.00 0.00 C ATOM 627 O LYS A 38 1.397 9.175 -24.596 1.00 0.00 O ATOM 628 CB LYS A 38 4.016 7.626 -24.278 1.00 0.00 C ATOM 629 CG LYS A 38 4.474 8.238 -25.604 1.00 0.00 C ATOM 630 CD LYS A 38 4.300 7.245 -26.754 1.00 0.00 C ATOM 631 CE LYS A 38 4.713 7.872 -28.088 1.00 0.00 C ATOM 632 NZ LYS A 38 5.868 7.149 -28.664 1.00 0.00 N ATOM 0 H LYS A 38 3.572 7.448 -21.688 1.00 0.00 H new ATOM 0 HA LYS A 38 3.844 9.638 -23.679 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.863 7.158 -23.777 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.285 6.840 -24.469 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.900 9.142 -25.809 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.520 8.535 -25.530 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.901 6.355 -26.565 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.260 6.922 -26.806 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.875 7.845 -28.785 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.970 8.921 -27.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.136 7.587 -29.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.671 7.197 -28.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.610 6.154 -28.824 1.00 0.00 H new ATOM 646 N PHE A 39 1.184 8.559 -22.431 1.00 0.00 N ATOM 647 CA PHE A 39 -0.266 8.651 -22.431 1.00 0.00 C ATOM 648 C PHE A 39 -0.755 9.616 -21.350 1.00 0.00 C ATOM 649 O PHE A 39 -1.958 9.776 -21.152 1.00 0.00 O ATOM 650 CB PHE A 39 -0.803 7.250 -22.129 1.00 0.00 C ATOM 651 CG PHE A 39 -2.308 7.099 -22.353 1.00 0.00 C ATOM 652 CD1 PHE A 39 -2.915 7.766 -23.371 1.00 0.00 C ATOM 653 CD2 PHE A 39 -3.041 6.297 -21.533 1.00 0.00 C ATOM 654 CE1 PHE A 39 -4.313 7.625 -23.581 1.00 0.00 C ATOM 655 CE2 PHE A 39 -4.439 6.156 -21.743 1.00 0.00 C ATOM 656 CZ PHE A 39 -5.046 6.823 -22.761 1.00 0.00 C ATOM 0 H PHE A 39 1.593 8.274 -21.541 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.615 9.022 -23.395 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.279 6.528 -22.755 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.573 6.999 -21.093 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.334 8.404 -24.021 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.560 5.768 -20.723 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.794 8.154 -24.391 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.020 5.518 -21.093 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.109 6.716 -22.919 1.00 0.00 H new ATOM 666 N LEU A 40 0.204 10.237 -20.678 1.00 0.00 N ATOM 667 CA LEU A 40 -0.113 11.183 -19.622 1.00 0.00 C ATOM 668 C LEU A 40 -1.012 12.286 -20.185 1.00 0.00 C ATOM 669 O LEU A 40 -2.179 12.390 -19.812 1.00 0.00 O ATOM 670 CB LEU A 40 1.168 11.706 -18.968 1.00 0.00 C ATOM 671 CG LEU A 40 1.257 11.551 -17.449 1.00 0.00 C ATOM 672 CD1 LEU A 40 1.564 10.103 -17.063 1.00 0.00 C ATOM 673 CD2 LEU A 40 2.273 12.529 -16.857 1.00 0.00 C ATOM 0 H LEU A 40 1.201 10.103 -20.845 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.671 10.692 -18.825 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.018 11.191 -19.416 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.271 12.763 -19.212 1.00 0.00 H new ATOM 0 HG LEU A 40 0.285 11.799 -17.023 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.622 10.020 -15.978 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.773 9.452 -17.435 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.516 9.804 -17.501 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.317 12.398 -15.776 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.256 12.336 -17.286 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.971 13.551 -17.087 1.00 0.00 H new ATOM 685 N GLU A 41 -0.434 13.081 -21.072 1.00 0.00 N ATOM 686 CA GLU A 41 -1.167 14.172 -21.690 1.00 0.00 C ATOM 687 C GLU A 41 -2.588 13.725 -22.039 1.00 0.00 C ATOM 688 O GLU A 41 -3.541 14.484 -21.871 1.00 0.00 O ATOM 689 CB GLU A 41 -0.436 14.693 -22.929 1.00 0.00 C ATOM 690 CG GLU A 41 -0.043 13.542 -23.858 1.00 0.00 C ATOM 691 CD GLU A 41 0.383 14.067 -25.231 1.00 0.00 C ATOM 692 OE1 GLU A 41 1.589 14.365 -25.374 1.00 0.00 O ATOM 693 OE2 GLU A 41 -0.505 14.156 -26.105 1.00 0.00 O ATOM 0 H GLU A 41 0.535 12.991 -21.378 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.230 14.992 -20.975 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.075 15.395 -23.464 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.456 15.241 -22.626 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.773 12.973 -23.413 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.884 12.858 -23.971 1.00 0.00 H new ATOM 700 N GLU A 42 -2.685 12.494 -22.520 1.00 0.00 N ATOM 701 CA GLU A 42 -3.975 11.938 -22.895 1.00 0.00 C ATOM 702 C GLU A 42 -4.778 11.573 -21.646 1.00 0.00 C ATOM 703 O GLU A 42 -4.403 11.937 -20.533 1.00 0.00 O ATOM 704 CB GLU A 42 -3.803 10.724 -23.810 1.00 0.00 C ATOM 705 CG GLU A 42 -4.025 11.106 -25.276 1.00 0.00 C ATOM 706 CD GLU A 42 -5.306 10.468 -25.818 1.00 0.00 C ATOM 707 OE1 GLU A 42 -6.385 11.026 -25.525 1.00 0.00 O ATOM 708 OE2 GLU A 42 -5.177 9.438 -26.516 1.00 0.00 O ATOM 0 H GLU A 42 -1.893 11.867 -22.659 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.528 12.695 -23.451 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.803 10.310 -23.686 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.509 9.945 -23.523 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.087 12.190 -25.368 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.172 10.783 -25.873 1.00 0.00 H new ATOM 715 N HIS A 43 -5.871 10.859 -21.872 1.00 0.00 N ATOM 716 CA HIS A 43 -6.731 10.440 -20.779 1.00 0.00 C ATOM 717 C HIS A 43 -7.657 11.593 -20.385 1.00 0.00 C ATOM 718 O HIS A 43 -7.239 12.750 -20.362 1.00 0.00 O ATOM 719 CB HIS A 43 -5.902 9.918 -19.604 1.00 0.00 C ATOM 720 CG HIS A 43 -6.589 8.840 -18.800 1.00 0.00 C ATOM 721 ND1 HIS A 43 -7.436 9.120 -17.740 1.00 0.00 N ATOM 722 CD2 HIS A 43 -6.545 7.482 -18.908 1.00 0.00 C ATOM 723 CE1 HIS A 43 -7.876 7.974 -17.243 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.322 6.960 -17.968 1.00 0.00 N ATOM 0 H HIS A 43 -6.181 10.560 -22.797 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.358 9.609 -21.103 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.958 9.528 -19.984 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.661 10.751 -18.944 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.679 10.050 -17.400 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.974 6.925 -19.636 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.554 7.862 -16.410 1.00 0.00 H new ATOM 733 N PRO A 44 -8.931 11.227 -20.077 1.00 0.00 N ATOM 734 CA PRO A 44 -9.919 12.218 -19.684 1.00 0.00 C ATOM 735 C PRO A 44 -9.673 12.700 -18.253 1.00 0.00 C ATOM 736 O PRO A 44 -9.716 13.899 -17.983 1.00 0.00 O ATOM 737 CB PRO A 44 -11.260 11.524 -19.856 1.00 0.00 C ATOM 738 CG PRO A 44 -10.958 10.035 -19.890 1.00 0.00 C ATOM 739 CD PRO A 44 -9.461 9.868 -20.093 1.00 0.00 C ATOM 0 HA PRO A 44 -9.873 13.123 -20.290 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.934 11.767 -19.034 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.750 11.844 -20.775 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.273 9.560 -18.961 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.509 9.552 -20.697 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.019 9.261 -19.302 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.243 9.369 -21.037 1.00 0.00 H new ATOM 747 N GLY A 45 -9.424 11.741 -17.375 1.00 0.00 N ATOM 748 CA GLY A 45 -9.172 12.053 -15.977 1.00 0.00 C ATOM 749 C GLY A 45 -8.002 13.028 -15.836 1.00 0.00 C ATOM 750 O GLY A 45 -8.065 13.968 -15.044 1.00 0.00 O ATOM 0 H GLY A 45 -9.391 10.747 -17.603 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.067 12.486 -15.530 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.954 11.136 -15.429 1.00 0.00 H new ATOM 754 N GLY A 46 -6.962 12.774 -16.616 1.00 0.00 N ATOM 755 CA GLY A 46 -5.780 13.618 -16.587 1.00 0.00 C ATOM 756 C GLY A 46 -4.503 12.776 -16.630 1.00 0.00 C ATOM 757 O GLY A 46 -4.520 11.639 -17.100 1.00 0.00 O ATOM 0 H GLY A 46 -6.913 11.995 -17.273 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.797 14.303 -17.435 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.787 14.229 -15.684 1.00 0.00 H new ATOM 761 N GLU A 47 -3.426 13.366 -16.132 1.00 0.00 N ATOM 762 CA GLU A 47 -2.144 12.685 -16.108 1.00 0.00 C ATOM 763 C GLU A 47 -2.046 11.781 -14.878 1.00 0.00 C ATOM 764 O GLU A 47 -1.687 10.609 -14.990 1.00 0.00 O ATOM 765 CB GLU A 47 -0.989 13.688 -16.145 1.00 0.00 C ATOM 766 CG GLU A 47 -0.730 14.175 -17.572 1.00 0.00 C ATOM 767 CD GLU A 47 -0.748 15.704 -17.641 1.00 0.00 C ATOM 768 OE1 GLU A 47 -1.545 16.297 -16.884 1.00 0.00 O ATOM 769 OE2 GLU A 47 0.037 16.244 -18.451 1.00 0.00 O ATOM 0 H GLU A 47 -3.416 14.308 -15.742 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.069 12.062 -16.999 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.221 14.538 -15.503 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.087 13.224 -15.746 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.235 13.803 -17.918 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.487 13.768 -18.242 1.00 0.00 H new ATOM 776 N GLU A 48 -2.372 12.359 -13.731 1.00 0.00 N ATOM 777 CA GLU A 48 -2.325 11.621 -12.481 1.00 0.00 C ATOM 778 C GLU A 48 -3.037 10.275 -12.632 1.00 0.00 C ATOM 779 O GLU A 48 -2.501 9.237 -12.245 1.00 0.00 O ATOM 780 CB GLU A 48 -2.933 12.436 -11.339 1.00 0.00 C ATOM 781 CG GLU A 48 -1.992 12.479 -10.133 1.00 0.00 C ATOM 782 CD GLU A 48 -2.767 12.737 -8.841 1.00 0.00 C ATOM 783 OE1 GLU A 48 -3.977 12.419 -8.830 1.00 0.00 O ATOM 784 OE2 GLU A 48 -2.135 13.246 -7.890 1.00 0.00 O ATOM 0 H GLU A 48 -2.670 13.330 -13.642 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.280 11.433 -12.233 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.138 13.450 -11.681 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.887 12.000 -11.044 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.452 11.535 -10.055 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.247 13.262 -10.277 1.00 0.00 H new ATOM 791 N VAL A 49 -4.233 10.335 -13.198 1.00 0.00 N ATOM 792 CA VAL A 49 -5.025 9.134 -13.404 1.00 0.00 C ATOM 793 C VAL A 49 -4.106 7.993 -13.844 1.00 0.00 C ATOM 794 O VAL A 49 -4.392 6.824 -13.584 1.00 0.00 O ATOM 795 CB VAL A 49 -6.149 9.415 -14.405 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.589 9.643 -15.810 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.179 8.283 -14.403 1.00 0.00 C ATOM 0 H VAL A 49 -4.673 11.197 -13.521 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.504 8.827 -12.474 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.654 10.330 -14.094 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.409 9.840 -16.501 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.911 10.497 -15.798 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.047 8.755 -16.134 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.967 8.507 -15.122 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.692 7.347 -14.678 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.613 8.188 -13.408 1.00 0.00 H new ATOM 807 N LEU A 50 -3.019 8.370 -14.502 1.00 0.00 N ATOM 808 CA LEU A 50 -2.055 7.393 -14.979 1.00 0.00 C ATOM 809 C LEU A 50 -0.803 7.448 -14.103 1.00 0.00 C ATOM 810 O LEU A 50 -0.241 6.411 -13.752 1.00 0.00 O ATOM 811 CB LEU A 50 -1.774 7.601 -16.468 1.00 0.00 C ATOM 812 CG LEU A 50 -3.001 7.689 -17.378 1.00 0.00 C ATOM 813 CD1 LEU A 50 -3.300 9.141 -17.757 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.836 6.797 -18.609 1.00 0.00 C ATOM 0 H LEU A 50 -2.785 9.339 -14.716 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.460 6.385 -14.893 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.195 8.517 -16.583 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.146 6.781 -16.817 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.864 7.317 -16.825 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.177 9.175 -18.404 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.493 9.720 -16.854 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.444 9.563 -18.283 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.722 6.878 -19.239 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.959 7.114 -19.173 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.709 5.761 -18.294 1.00 0.00 H new ATOM 826 N ARG A 51 -0.403 8.667 -13.774 1.00 0.00 N ATOM 827 CA ARG A 51 0.773 8.870 -12.944 1.00 0.00 C ATOM 828 C ARG A 51 0.558 8.259 -11.558 1.00 0.00 C ATOM 829 O ARG A 51 1.444 7.595 -11.025 1.00 0.00 O ATOM 830 CB ARG A 51 1.090 10.359 -12.795 1.00 0.00 C ATOM 831 CG ARG A 51 2.596 10.587 -12.655 1.00 0.00 C ATOM 832 CD ARG A 51 2.904 11.531 -11.491 1.00 0.00 C ATOM 833 NE ARG A 51 2.582 12.924 -11.871 1.00 0.00 N ATOM 834 CZ ARG A 51 3.059 14.005 -11.239 1.00 0.00 C ATOM 835 NH1 ARG A 51 3.881 13.860 -10.191 1.00 0.00 N ATOM 836 NH2 ARG A 51 2.714 15.232 -11.653 1.00 0.00 N ATOM 0 H ARG A 51 -0.872 9.524 -14.067 1.00 0.00 H new ATOM 0 HA ARG A 51 1.614 8.378 -13.434 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.715 10.903 -13.662 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.575 10.758 -11.921 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.098 9.633 -12.496 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.991 11.005 -13.581 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.325 11.241 -10.614 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.956 11.454 -11.218 1.00 0.00 H new ATOM 0 HE ARG A 51 1.958 13.071 -12.664 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.144 12.927 -9.874 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.244 14.683 -9.710 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.088 15.344 -12.450 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.078 16.054 -11.171 1.00 0.00 H new ATOM 850 N GLU A 52 -0.626 8.506 -11.016 1.00 0.00 N ATOM 851 CA GLU A 52 -0.969 7.990 -9.701 1.00 0.00 C ATOM 852 C GLU A 52 -0.908 6.461 -9.701 1.00 0.00 C ATOM 853 O GLU A 52 -0.708 5.845 -8.654 1.00 0.00 O ATOM 854 CB GLU A 52 -2.349 8.483 -9.263 1.00 0.00 C ATOM 855 CG GLU A 52 -2.260 9.262 -7.948 1.00 0.00 C ATOM 856 CD GLU A 52 -2.065 8.315 -6.762 1.00 0.00 C ATOM 857 OE1 GLU A 52 -0.943 7.780 -6.641 1.00 0.00 O ATOM 858 OE2 GLU A 52 -3.044 8.149 -6.002 1.00 0.00 O ATOM 0 H GLU A 52 -1.359 9.056 -11.463 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.240 8.364 -8.982 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.775 9.119 -10.039 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.021 7.634 -9.142 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.431 9.968 -7.995 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.169 9.847 -7.805 1.00 0.00 H new ATOM 865 N GLN A 53 -1.082 5.892 -10.885 1.00 0.00 N ATOM 866 CA GLN A 53 -1.047 4.447 -11.033 1.00 0.00 C ATOM 867 C GLN A 53 0.351 3.988 -11.452 1.00 0.00 C ATOM 868 O GLN A 53 0.741 2.853 -11.185 1.00 0.00 O ATOM 869 CB GLN A 53 -2.103 3.974 -12.036 1.00 0.00 C ATOM 870 CG GLN A 53 -1.867 4.596 -13.414 1.00 0.00 C ATOM 871 CD GLN A 53 -2.835 4.019 -14.448 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.572 3.015 -15.089 1.00 0.00 O ATOM 873 NE2 GLN A 53 -3.965 4.708 -14.576 1.00 0.00 N ATOM 0 H GLN A 53 -1.248 6.406 -11.751 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.280 3.997 -10.068 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.075 2.887 -12.114 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.097 4.242 -11.677 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.993 5.677 -13.356 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.840 4.412 -13.729 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.122 5.540 -14.008 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.675 4.404 -15.242 1.00 0.00 H new ATOM 882 N ALA A 54 1.067 4.896 -12.099 1.00 0.00 N ATOM 883 CA ALA A 54 2.414 4.599 -12.555 1.00 0.00 C ATOM 884 C ALA A 54 3.272 4.178 -11.361 1.00 0.00 C ATOM 885 O ALA A 54 3.251 4.828 -10.317 1.00 0.00 O ATOM 886 CB ALA A 54 2.987 5.817 -13.284 1.00 0.00 C ATOM 0 H ALA A 54 0.740 5.837 -12.318 1.00 0.00 H new ATOM 0 HA ALA A 54 2.405 3.770 -13.262 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.998 5.594 -13.626 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.358 6.057 -14.141 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.014 6.669 -12.604 1.00 0.00 H new ATOM 892 N GLY A 55 4.007 3.092 -11.555 1.00 0.00 N ATOM 893 CA GLY A 55 4.870 2.576 -10.506 1.00 0.00 C ATOM 894 C GLY A 55 4.422 1.182 -10.063 1.00 0.00 C ATOM 895 O GLY A 55 4.826 0.704 -9.003 1.00 0.00 O ATOM 0 H GLY A 55 4.022 2.556 -12.423 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.899 2.534 -10.864 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.857 3.254 -9.653 1.00 0.00 H new ATOM 899 N GLY A 56 3.594 0.570 -10.896 1.00 0.00 N ATOM 900 CA GLY A 56 3.086 -0.760 -10.603 1.00 0.00 C ATOM 901 C GLY A 56 1.863 -1.082 -11.464 1.00 0.00 C ATOM 902 O GLY A 56 1.508 -0.313 -12.355 1.00 0.00 O ATOM 0 H GLY A 56 3.262 0.970 -11.774 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.867 -1.499 -10.783 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.820 -0.827 -9.548 1.00 0.00 H new ATOM 906 N ASP A 57 1.253 -2.221 -11.167 1.00 0.00 N ATOM 907 CA ASP A 57 0.077 -2.653 -11.903 1.00 0.00 C ATOM 908 C ASP A 57 -1.050 -1.640 -11.698 1.00 0.00 C ATOM 909 O ASP A 57 -1.322 -1.228 -10.572 1.00 0.00 O ATOM 910 CB ASP A 57 -0.415 -4.014 -11.404 1.00 0.00 C ATOM 911 CG ASP A 57 -1.915 -4.093 -11.118 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.686 -3.689 -12.015 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.259 -4.557 -10.009 1.00 0.00 O ATOM 0 H ASP A 57 1.551 -2.857 -10.427 1.00 0.00 H new ATOM 0 HA ASP A 57 0.348 -2.730 -12.956 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.162 -4.770 -12.147 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.127 -4.268 -10.493 1.00 0.00 H new ATOM 918 N ALA A 58 -1.674 -1.265 -12.804 1.00 0.00 N ATOM 919 CA ALA A 58 -2.766 -0.307 -12.761 1.00 0.00 C ATOM 920 C ALA A 58 -4.061 -0.994 -13.200 1.00 0.00 C ATOM 921 O ALA A 58 -5.152 -0.479 -12.961 1.00 0.00 O ATOM 922 CB ALA A 58 -2.421 0.901 -13.636 1.00 0.00 C ATOM 0 H ALA A 58 -1.444 -1.607 -13.737 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.915 0.058 -11.745 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.240 1.619 -13.604 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.511 1.371 -13.264 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.266 0.573 -14.664 1.00 0.00 H new ATOM 928 N THR A 59 -3.895 -2.145 -13.835 1.00 0.00 N ATOM 929 CA THR A 59 -5.038 -2.908 -14.311 1.00 0.00 C ATOM 930 C THR A 59 -6.040 -3.129 -13.175 1.00 0.00 C ATOM 931 O THR A 59 -7.240 -2.921 -13.352 1.00 0.00 O ATOM 932 CB THR A 59 -4.515 -4.208 -14.923 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.294 -4.372 -16.105 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.860 -5.435 -14.076 1.00 0.00 C ATOM 0 H THR A 59 -2.988 -2.568 -14.031 1.00 0.00 H new ATOM 0 HA THR A 59 -5.584 -2.366 -15.083 1.00 0.00 H new ATOM 0 HB THR A 59 -3.434 -4.143 -15.044 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.529 -5.317 -16.214 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.466 -6.331 -14.556 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.418 -5.329 -13.085 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.943 -5.520 -13.983 1.00 0.00 H new ATOM 942 N GLU A 60 -5.511 -3.550 -12.036 1.00 0.00 N ATOM 943 CA GLU A 60 -6.344 -3.801 -10.873 1.00 0.00 C ATOM 944 C GLU A 60 -7.346 -2.662 -10.680 1.00 0.00 C ATOM 945 O GLU A 60 -8.438 -2.872 -10.153 1.00 0.00 O ATOM 946 CB GLU A 60 -5.490 -3.999 -9.619 1.00 0.00 C ATOM 947 CG GLU A 60 -4.747 -2.714 -9.253 1.00 0.00 C ATOM 948 CD GLU A 60 -5.214 -2.173 -7.901 1.00 0.00 C ATOM 949 OE1 GLU A 60 -6.305 -1.564 -7.879 1.00 0.00 O ATOM 950 OE2 GLU A 60 -4.471 -2.385 -6.918 1.00 0.00 O ATOM 0 H GLU A 60 -4.516 -3.724 -11.894 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.901 -4.722 -11.043 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.124 -4.306 -8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.773 -4.803 -9.786 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.675 -2.907 -9.220 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.912 -1.963 -10.025 1.00 0.00 H new ATOM 957 N ASN A 61 -6.939 -1.479 -11.117 1.00 0.00 N ATOM 958 CA ASN A 61 -7.788 -0.305 -10.999 1.00 0.00 C ATOM 959 C ASN A 61 -8.477 -0.044 -12.338 1.00 0.00 C ATOM 960 O ASN A 61 -9.703 0.044 -12.402 1.00 0.00 O ATOM 961 CB ASN A 61 -6.966 0.935 -10.640 1.00 0.00 C ATOM 962 CG ASN A 61 -7.525 1.621 -9.391 1.00 0.00 C ATOM 963 OD1 ASN A 61 -8.401 2.468 -9.458 1.00 0.00 O ATOM 964 ND2 ASN A 61 -6.971 1.210 -8.255 1.00 0.00 N ATOM 0 H ASN A 61 -6.033 -1.308 -11.553 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.518 -0.494 -10.212 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.928 0.650 -10.469 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.971 1.634 -11.476 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.275 1.608 -7.366 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.242 0.497 -8.272 1.00 0.00 H new ATOM 971 N PHE A 62 -7.661 0.074 -13.376 1.00 0.00 N ATOM 972 CA PHE A 62 -8.178 0.324 -14.711 1.00 0.00 C ATOM 973 C PHE A 62 -9.339 -0.617 -15.034 1.00 0.00 C ATOM 974 O PHE A 62 -10.158 -0.325 -15.904 1.00 0.00 O ATOM 975 CB PHE A 62 -7.034 0.057 -15.690 1.00 0.00 C ATOM 976 CG PHE A 62 -7.451 -0.725 -16.938 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.760 -2.046 -16.840 1.00 0.00 C ATOM 978 CD2 PHE A 62 -7.513 -0.099 -18.143 1.00 0.00 C ATOM 979 CE1 PHE A 62 -8.148 -2.772 -17.996 1.00 0.00 C ATOM 980 CE2 PHE A 62 -7.901 -0.826 -19.301 1.00 0.00 C ATOM 981 CZ PHE A 62 -8.209 -2.146 -19.203 1.00 0.00 C ATOM 0 H PHE A 62 -6.645 0.001 -13.319 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.545 1.348 -14.782 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.604 1.010 -15.998 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.249 -0.495 -15.173 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.710 -2.543 -15.882 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.268 0.950 -18.220 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.395 -3.821 -17.918 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.951 -0.329 -20.259 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.502 -2.699 -20.083 1.00 0.00 H new ATOM 991 N GLU A 63 -9.377 -1.730 -14.315 1.00 0.00 N ATOM 992 CA GLU A 63 -10.425 -2.716 -14.514 1.00 0.00 C ATOM 993 C GLU A 63 -11.686 -2.312 -13.749 1.00 0.00 C ATOM 994 O GLU A 63 -12.795 -2.428 -14.269 1.00 0.00 O ATOM 995 CB GLU A 63 -9.952 -4.111 -14.096 1.00 0.00 C ATOM 996 CG GLU A 63 -9.416 -4.891 -15.298 1.00 0.00 C ATOM 997 CD GLU A 63 -10.559 -5.358 -16.202 1.00 0.00 C ATOM 998 OE1 GLU A 63 -11.508 -4.561 -16.374 1.00 0.00 O ATOM 999 OE2 GLU A 63 -10.459 -6.498 -16.702 1.00 0.00 O ATOM 0 H GLU A 63 -8.698 -1.970 -13.593 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.665 -2.753 -15.577 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.173 -4.023 -13.338 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.778 -4.658 -13.642 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.731 -4.263 -15.867 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.846 -5.753 -14.952 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.474 -1.846 -12.527 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.581 -1.424 -11.685 1.00 0.00 C ATOM 1008 C ASP A 64 -13.314 -0.261 -12.359 1.00 0.00 C ATOM 1009 O ASP A 64 -14.482 -0.009 -12.068 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.083 -0.943 -10.321 1.00 0.00 C ATOM 1011 CG ASP A 64 -12.899 -1.436 -9.124 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -13.320 -2.612 -9.171 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -13.082 -0.627 -8.190 1.00 0.00 O ATOM 0 H ASP A 64 -10.553 -1.751 -12.100 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.244 -2.278 -11.546 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.049 -1.265 -10.194 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.080 0.147 -10.316 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.596 0.415 -13.243 1.00 0.00 N ATOM 1019 CA VAL A 65 -13.163 1.544 -13.959 1.00 0.00 C ATOM 1020 C VAL A 65 -13.705 1.067 -15.309 1.00 0.00 C ATOM 1021 O VAL A 65 -14.168 1.872 -16.115 1.00 0.00 O ATOM 1022 CB VAL A 65 -12.121 2.657 -14.091 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.768 2.210 -13.534 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.990 3.115 -15.546 1.00 0.00 C ATOM 0 H VAL A 65 -11.627 0.203 -13.480 1.00 0.00 H new ATOM 0 HA VAL A 65 -14.001 1.966 -13.404 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.462 3.507 -13.501 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.046 3.019 -13.640 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.875 1.955 -12.480 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.418 1.337 -14.085 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.243 3.906 -15.613 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.683 2.273 -16.166 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.951 3.492 -15.897 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.626 -0.239 -15.513 1.00 0.00 N ATOM 1035 CA GLY A 66 -14.103 -0.832 -16.751 1.00 0.00 C ATOM 1036 C GLY A 66 -13.791 0.070 -17.947 1.00 0.00 C ATOM 1037 O GLY A 66 -14.627 0.874 -18.357 1.00 0.00 O ATOM 0 H GLY A 66 -13.239 -0.903 -14.843 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.637 -1.807 -16.895 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.178 -0.999 -16.688 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.587 -0.093 -18.472 1.00 0.00 N ATOM 1042 CA HIS A 67 -12.154 0.697 -19.612 1.00 0.00 C ATOM 1043 C HIS A 67 -12.760 0.122 -20.894 1.00 0.00 C ATOM 1044 O HIS A 67 -13.516 -0.847 -20.848 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.627 0.783 -19.665 1.00 0.00 C ATOM 1046 CG HIS A 67 -10.037 1.820 -18.740 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.993 1.659 -17.365 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.470 3.031 -19.002 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -9.422 2.730 -16.836 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -9.100 3.581 -17.854 1.00 0.00 N ATOM 0 H HIS A 67 -11.897 -0.761 -18.129 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.514 1.720 -19.508 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.210 -0.192 -19.414 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.321 1.007 -20.687 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -10.341 0.852 -16.848 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.343 3.469 -19.981 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.243 2.900 -15.785 1.00 0.00 H new ATOM 1059 N SER A 68 -12.405 0.743 -22.010 1.00 0.00 N ATOM 1060 CA SER A 68 -12.904 0.306 -23.301 1.00 0.00 C ATOM 1061 C SER A 68 -11.796 -0.410 -24.076 1.00 0.00 C ATOM 1062 O SER A 68 -10.616 -0.102 -23.907 1.00 0.00 O ATOM 1063 CB SER A 68 -13.441 1.487 -24.113 1.00 0.00 C ATOM 1064 OG SER A 68 -12.417 2.119 -24.875 1.00 0.00 O ATOM 0 H SER A 68 -11.777 1.546 -22.045 1.00 0.00 H new ATOM 0 HA SER A 68 -13.727 -0.388 -23.132 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.228 1.139 -24.782 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.893 2.215 -23.439 1.00 0.00 H new ATOM 0 HG SER A 68 -12.096 2.912 -24.397 1.00 0.00 H new ATOM 1070 N THR A 69 -12.213 -1.354 -24.909 1.00 0.00 N ATOM 1071 CA THR A 69 -11.271 -2.115 -25.710 1.00 0.00 C ATOM 1072 C THR A 69 -10.376 -1.175 -26.521 1.00 0.00 C ATOM 1073 O THR A 69 -9.282 -1.556 -26.933 1.00 0.00 O ATOM 1074 CB THR A 69 -12.068 -3.093 -26.574 1.00 0.00 C ATOM 1075 OG1 THR A 69 -12.344 -4.185 -25.702 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.222 -3.711 -27.689 1.00 0.00 C ATOM 0 H THR A 69 -13.191 -1.608 -25.046 1.00 0.00 H new ATOM 0 HA THR A 69 -10.593 -2.692 -25.081 1.00 0.00 H new ATOM 0 HB THR A 69 -12.924 -2.577 -27.010 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.860 -4.865 -26.183 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.835 -4.398 -28.273 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.843 -2.922 -28.338 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.385 -4.255 -27.252 1.00 0.00 H new ATOM 1084 N ASP A 70 -10.876 0.035 -26.722 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.136 1.033 -27.476 1.00 0.00 C ATOM 1086 C ASP A 70 -8.991 1.572 -26.615 1.00 0.00 C ATOM 1087 O ASP A 70 -7.851 1.649 -27.070 1.00 0.00 O ATOM 1088 CB ASP A 70 -11.034 2.211 -27.860 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.378 3.259 -28.762 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.397 2.886 -29.442 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.870 4.406 -28.750 1.00 0.00 O ATOM 0 H ASP A 70 -11.784 0.347 -26.376 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.757 0.559 -28.381 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.920 1.824 -28.364 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.375 2.701 -26.948 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.335 1.931 -25.388 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.352 2.460 -24.459 1.00 0.00 C ATOM 1098 C ALA A 71 -7.206 1.455 -24.309 1.00 0.00 C ATOM 1099 O ALA A 71 -6.037 1.837 -24.308 1.00 0.00 O ATOM 1100 CB ALA A 71 -9.027 2.778 -23.123 1.00 0.00 C ATOM 0 H ALA A 71 -10.282 1.866 -25.015 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.929 3.390 -24.838 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.288 3.175 -22.427 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.812 3.518 -23.279 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.463 1.868 -22.710 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.584 0.192 -24.186 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.603 -0.870 -24.036 1.00 0.00 C ATOM 1108 C ARG A 72 -5.753 -0.990 -25.302 1.00 0.00 C ATOM 1109 O ARG A 72 -4.533 -1.132 -25.223 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.282 -2.213 -23.755 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.295 -2.087 -22.614 1.00 0.00 C ATOM 1112 CD ARG A 72 -8.949 -3.436 -22.313 1.00 0.00 C ATOM 1113 NE ARG A 72 -7.932 -4.397 -21.831 1.00 0.00 N ATOM 1114 CZ ARG A 72 -7.206 -5.187 -22.634 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -7.381 -5.137 -23.961 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -6.305 -6.029 -22.109 1.00 0.00 N ATOM 0 H ARG A 72 -8.555 -0.120 -24.187 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.966 -0.615 -23.189 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.785 -2.566 -24.655 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.529 -2.958 -23.497 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.797 -1.712 -21.720 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.061 -1.359 -22.881 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.728 -3.312 -21.561 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.431 -3.824 -23.211 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.774 -4.462 -20.825 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.067 -4.497 -24.361 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.828 -5.739 -24.571 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.172 -6.068 -21.098 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.752 -6.630 -22.720 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.430 -0.930 -26.438 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.753 -1.032 -27.721 1.00 0.00 C ATOM 1132 C GLU A 73 -4.772 0.130 -27.894 1.00 0.00 C ATOM 1133 O GLU A 73 -3.666 -0.057 -28.399 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.760 -1.076 -28.871 1.00 0.00 C ATOM 1135 CG GLU A 73 -6.430 -2.211 -29.842 1.00 0.00 C ATOM 1136 CD GLU A 73 -7.282 -2.112 -31.109 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -8.523 -2.188 -30.968 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -6.675 -1.964 -32.192 1.00 0.00 O ATOM 0 H GLU A 73 -7.441 -0.812 -26.498 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.190 -1.965 -27.741 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.766 -1.213 -28.474 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.753 -0.124 -29.402 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.373 -2.173 -30.106 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.603 -3.172 -29.357 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.214 1.304 -27.467 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.387 2.496 -27.571 1.00 0.00 C ATOM 1147 C LEU A 74 -3.122 2.308 -26.732 1.00 0.00 C ATOM 1148 O LEU A 74 -2.035 2.707 -27.146 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.195 3.739 -27.194 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.811 4.415 -25.875 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.769 5.513 -26.104 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -6.051 4.944 -25.149 1.00 0.00 C ATOM 0 H LEU A 74 -6.132 1.456 -27.049 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.066 2.650 -28.601 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.095 4.470 -27.996 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.248 3.462 -27.144 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.353 3.667 -25.228 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.514 5.977 -25.151 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.873 5.078 -26.547 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.177 6.267 -26.777 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.751 5.419 -24.215 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.559 5.673 -25.780 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.727 4.117 -24.934 1.00 0.00 H new ATOM 1164 N SER A 75 -3.304 1.700 -25.570 1.00 0.00 N ATOM 1165 CA SER A 75 -2.190 1.453 -24.670 1.00 0.00 C ATOM 1166 C SER A 75 -1.123 0.615 -25.376 1.00 0.00 C ATOM 1167 O SER A 75 0.048 0.651 -25.001 1.00 0.00 O ATOM 1168 CB SER A 75 -2.657 0.752 -23.393 1.00 0.00 C ATOM 1169 OG SER A 75 -4.050 0.458 -23.425 1.00 0.00 O ATOM 0 H SER A 75 -4.207 1.370 -25.230 1.00 0.00 H new ATOM 0 HA SER A 75 -1.760 2.414 -24.387 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.094 -0.172 -23.260 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.440 1.384 -22.532 1.00 0.00 H new ATOM 0 HG SER A 75 -4.186 -0.441 -23.790 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.565 -0.118 -26.386 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.663 -0.965 -27.148 1.00 0.00 C ATOM 1177 C LYS A 76 0.478 -0.113 -27.708 1.00 0.00 C ATOM 1178 O LYS A 76 1.514 -0.642 -28.108 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.432 -1.742 -28.218 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.346 -1.038 -29.574 1.00 0.00 C ATOM 1181 CD LYS A 76 -2.114 -1.816 -30.645 1.00 0.00 C ATOM 1182 CE LYS A 76 -2.063 -1.092 -31.991 1.00 0.00 C ATOM 1183 NZ LYS A 76 -1.201 -1.827 -32.943 1.00 0.00 N ATOM 0 H LYS A 76 -2.537 -0.143 -26.695 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.212 -1.719 -26.502 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.027 -2.751 -28.301 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.476 -1.841 -27.921 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.752 -0.030 -29.491 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.302 -0.938 -29.870 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.689 -2.814 -30.749 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.151 -1.942 -30.335 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.069 -1.000 -32.399 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.681 -0.080 -31.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.178 -1.322 -33.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.237 -1.893 -32.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.582 -2.784 -33.089 1.00 0.00 H new ATOM 1197 N THR A 77 0.249 1.192 -27.717 1.00 0.00 N ATOM 1198 CA THR A 77 1.245 2.122 -28.221 1.00 0.00 C ATOM 1199 C THR A 77 2.267 2.452 -27.131 1.00 0.00 C ATOM 1200 O THR A 77 3.436 2.699 -27.425 1.00 0.00 O ATOM 1201 CB THR A 77 0.513 3.354 -28.759 1.00 0.00 C ATOM 1202 OG1 THR A 77 1.515 4.068 -29.477 1.00 0.00 O ATOM 1203 CG2 THR A 77 0.094 4.318 -27.646 1.00 0.00 C ATOM 0 H THR A 77 -0.611 1.627 -27.384 1.00 0.00 H new ATOM 0 HA THR A 77 1.817 1.683 -29.038 1.00 0.00 H new ATOM 0 HB THR A 77 -0.368 3.037 -29.317 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.126 4.881 -29.861 1.00 0.00 H new ATOM 0 HG21 THR A 77 -0.421 5.174 -28.081 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.574 3.806 -26.954 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.979 4.661 -27.109 1.00 0.00 H new ATOM 1211 N PHE A 78 1.790 2.443 -25.895 1.00 0.00 N ATOM 1212 CA PHE A 78 2.648 2.739 -24.760 1.00 0.00 C ATOM 1213 C PHE A 78 3.352 1.474 -24.261 1.00 0.00 C ATOM 1214 O PHE A 78 4.357 1.555 -23.558 1.00 0.00 O ATOM 1215 CB PHE A 78 1.746 3.278 -23.647 1.00 0.00 C ATOM 1216 CG PHE A 78 0.726 4.315 -24.121 1.00 0.00 C ATOM 1217 CD1 PHE A 78 1.107 5.305 -24.971 1.00 0.00 C ATOM 1218 CD2 PHE A 78 -0.562 4.247 -23.690 1.00 0.00 C ATOM 1219 CE1 PHE A 78 0.160 6.268 -25.411 1.00 0.00 C ATOM 1220 CE2 PHE A 78 -1.509 5.209 -24.129 1.00 0.00 C ATOM 1221 CZ PHE A 78 -1.128 6.200 -24.980 1.00 0.00 C ATOM 0 H PHE A 78 0.821 2.235 -25.655 1.00 0.00 H new ATOM 0 HA PHE A 78 3.413 3.459 -25.049 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.215 2.444 -23.188 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.369 3.724 -22.872 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.130 5.359 -25.312 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.864 3.461 -23.014 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.463 7.054 -26.087 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.532 5.154 -23.787 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.848 6.932 -25.313 1.00 0.00 H new ATOM 1231 N ILE A 79 2.795 0.335 -24.648 1.00 0.00 N ATOM 1232 CA ILE A 79 3.357 -0.944 -24.249 1.00 0.00 C ATOM 1233 C ILE A 79 4.857 -0.954 -24.551 1.00 0.00 C ATOM 1234 O ILE A 79 5.260 -0.904 -25.712 1.00 0.00 O ATOM 1235 CB ILE A 79 2.590 -2.094 -24.905 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.374 -2.491 -24.067 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.513 -3.283 -25.177 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.100 -3.992 -24.174 1.00 0.00 C ATOM 0 H ILE A 79 1.962 0.272 -25.233 1.00 0.00 H new ATOM 0 HA ILE A 79 3.247 -1.090 -23.174 1.00 0.00 H new ATOM 0 HB ILE A 79 2.216 -1.750 -25.869 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.543 -2.222 -23.024 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.499 -1.933 -24.402 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.943 -4.087 -25.643 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.317 -2.974 -25.844 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.937 -3.637 -24.237 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.230 -4.247 -23.569 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.907 -4.253 -25.214 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.967 -4.547 -23.815 1.00 0.00 H new ATOM 1250 N ILE A 80 5.642 -1.018 -23.485 1.00 0.00 N ATOM 1251 CA ILE A 80 7.089 -1.035 -23.622 1.00 0.00 C ATOM 1252 C ILE A 80 7.606 -2.449 -23.346 1.00 0.00 C ATOM 1253 O ILE A 80 8.666 -2.832 -23.839 1.00 0.00 O ATOM 1254 CB ILE A 80 7.723 0.035 -22.732 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.869 0.294 -21.489 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.985 1.319 -23.522 1.00 0.00 C ATOM 1257 CD1 ILE A 80 7.643 1.108 -20.451 1.00 0.00 C ATOM 0 H ILE A 80 5.304 -1.059 -22.524 1.00 0.00 H new ATOM 0 HA ILE A 80 7.379 -0.782 -24.642 1.00 0.00 H new ATOM 0 HB ILE A 80 8.688 -0.337 -22.388 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.962 0.828 -21.772 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.558 -0.655 -21.053 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.436 2.064 -22.866 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.662 1.106 -24.349 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.043 1.703 -23.914 1.00 0.00 H new ATOM 0 HD11 ILE A 80 7.013 1.278 -19.578 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.537 0.561 -20.152 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.932 2.067 -20.882 1.00 0.00 H new ATOM 1269 N GLY A 81 6.834 -3.185 -22.560 1.00 0.00 N ATOM 1270 CA GLY A 81 7.200 -4.547 -22.214 1.00 0.00 C ATOM 1271 C GLY A 81 6.068 -5.245 -21.458 1.00 0.00 C ATOM 1272 O GLY A 81 4.892 -4.999 -21.728 1.00 0.00 O ATOM 0 H GLY A 81 5.956 -2.863 -22.153 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.435 -5.105 -23.120 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.101 -4.540 -21.601 1.00 0.00 H new ATOM 1276 N GLU A 82 6.460 -6.102 -20.527 1.00 0.00 N ATOM 1277 CA GLU A 82 5.492 -6.836 -19.731 1.00 0.00 C ATOM 1278 C GLU A 82 6.087 -7.193 -18.366 1.00 0.00 C ATOM 1279 O GLU A 82 7.306 -7.204 -18.201 1.00 0.00 O ATOM 1280 CB GLU A 82 5.017 -8.091 -20.466 1.00 0.00 C ATOM 1281 CG GLU A 82 5.125 -7.912 -21.981 1.00 0.00 C ATOM 1282 CD GLU A 82 4.658 -9.169 -22.716 1.00 0.00 C ATOM 1283 OE1 GLU A 82 4.142 -10.074 -22.023 1.00 0.00 O ATOM 1284 OE2 GLU A 82 4.827 -9.199 -23.955 1.00 0.00 O ATOM 0 H GLU A 82 7.435 -6.304 -20.306 1.00 0.00 H new ATOM 0 HA GLU A 82 4.624 -6.197 -19.571 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.614 -8.948 -20.154 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.984 -8.307 -20.194 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.523 -7.059 -22.294 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.157 -7.690 -22.252 1.00 0.00 H new ATOM 1291 N LEU A 83 5.200 -7.474 -17.424 1.00 0.00 N ATOM 1292 CA LEU A 83 5.622 -7.829 -16.079 1.00 0.00 C ATOM 1293 C LEU A 83 6.238 -9.230 -16.097 1.00 0.00 C ATOM 1294 O LEU A 83 5.567 -10.203 -16.442 1.00 0.00 O ATOM 1295 CB LEU A 83 4.461 -7.680 -15.096 1.00 0.00 C ATOM 1296 CG LEU A 83 4.816 -7.805 -13.614 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.317 -8.039 -13.428 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.323 -6.590 -12.826 1.00 0.00 C ATOM 0 H LEU A 83 4.190 -7.463 -17.565 1.00 0.00 H new ATOM 0 HA LEU A 83 6.394 -7.145 -15.728 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.997 -6.707 -15.257 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.711 -8.434 -15.334 1.00 0.00 H new ATOM 0 HG LEU A 83 4.301 -8.678 -13.212 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.543 -8.124 -12.365 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.608 -8.959 -13.936 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.871 -7.201 -13.851 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.589 -6.705 -11.775 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.788 -5.687 -13.221 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.240 -6.511 -12.920 1.00 0.00 H new ATOM 1310 N HIS A 84 7.506 -9.289 -15.720 1.00 0.00 N ATOM 1311 CA HIS A 84 8.219 -10.555 -15.688 1.00 0.00 C ATOM 1312 C HIS A 84 7.598 -11.466 -14.628 1.00 0.00 C ATOM 1313 O HIS A 84 6.596 -11.112 -14.008 1.00 0.00 O ATOM 1314 CB HIS A 84 9.717 -10.330 -15.473 1.00 0.00 C ATOM 1315 CG HIS A 84 10.591 -10.976 -16.521 1.00 0.00 C ATOM 1316 ND1 HIS A 84 10.127 -11.318 -17.778 1.00 0.00 N ATOM 1317 CD2 HIS A 84 11.906 -11.338 -16.483 1.00 0.00 C ATOM 1318 CE1 HIS A 84 11.125 -11.863 -18.459 1.00 0.00 C ATOM 1319 NE2 HIS A 84 12.227 -11.875 -17.653 1.00 0.00 N ATOM 0 H HIS A 84 8.059 -8.481 -15.434 1.00 0.00 H new ATOM 0 HA HIS A 84 8.121 -11.056 -16.651 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.915 -9.258 -15.460 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.995 -10.718 -14.493 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.573 -11.209 -15.643 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.075 -12.232 -19.473 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.146 -12.237 -17.908 1.00 0.00 H new ATOM 1328 N PRO A 85 8.235 -12.655 -14.447 1.00 0.00 N ATOM 1329 CA PRO A 85 7.756 -13.619 -13.472 1.00 0.00 C ATOM 1330 C PRO A 85 8.102 -13.179 -12.048 1.00 0.00 C ATOM 1331 O PRO A 85 8.019 -13.972 -11.112 1.00 0.00 O ATOM 1332 CB PRO A 85 8.414 -14.933 -13.863 1.00 0.00 C ATOM 1333 CG PRO A 85 9.591 -14.561 -14.750 1.00 0.00 C ATOM 1334 CD PRO A 85 9.423 -13.109 -15.162 1.00 0.00 C ATOM 0 HA PRO A 85 6.670 -13.715 -13.474 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.747 -15.481 -12.981 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.714 -15.578 -14.393 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.531 -14.700 -14.215 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.626 -15.205 -15.628 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.298 -12.517 -14.892 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.296 -13.016 -16.241 1.00 0.00 H new ATOM 1342 N ASP A 86 8.482 -11.915 -11.931 1.00 0.00 N ATOM 1343 CA ASP A 86 8.839 -11.358 -10.636 1.00 0.00 C ATOM 1344 C ASP A 86 7.566 -10.960 -9.887 1.00 0.00 C ATOM 1345 O ASP A 86 7.549 -10.933 -8.657 1.00 0.00 O ATOM 1346 CB ASP A 86 9.705 -10.107 -10.796 1.00 0.00 C ATOM 1347 CG ASP A 86 9.489 -9.032 -9.728 1.00 0.00 C ATOM 1348 OD1 ASP A 86 9.870 -9.299 -8.569 1.00 0.00 O ATOM 1349 OD2 ASP A 86 8.948 -7.967 -10.098 1.00 0.00 O ATOM 0 H ASP A 86 8.551 -11.261 -12.711 1.00 0.00 H new ATOM 0 HA ASP A 86 9.397 -12.115 -10.085 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.753 -10.405 -10.784 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.509 -9.670 -11.775 1.00 0.00 H new ATOM 1354 N ASP A 87 6.531 -10.663 -10.660 1.00 0.00 N ATOM 1355 CA ASP A 87 5.258 -10.267 -10.084 1.00 0.00 C ATOM 1356 C ASP A 87 4.148 -10.475 -11.119 1.00 0.00 C ATOM 1357 O ASP A 87 3.525 -9.515 -11.566 1.00 0.00 O ATOM 1358 CB ASP A 87 5.266 -8.790 -9.691 1.00 0.00 C ATOM 1359 CG ASP A 87 5.643 -8.510 -8.235 1.00 0.00 C ATOM 1360 OD1 ASP A 87 4.716 -8.522 -7.395 1.00 0.00 O ATOM 1361 OD2 ASP A 87 6.850 -8.291 -7.993 1.00 0.00 O ATOM 0 H ASP A 87 6.549 -10.689 -11.680 1.00 0.00 H new ATOM 0 HA ASP A 87 5.087 -10.875 -9.196 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.964 -8.261 -10.339 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.277 -8.374 -9.881 1.00 0.00 H new ATOM 1366 N ARG A 88 3.938 -11.736 -11.468 1.00 0.00 N ATOM 1367 CA ARG A 88 2.917 -12.082 -12.441 1.00 0.00 C ATOM 1368 C ARG A 88 1.572 -12.297 -11.745 1.00 0.00 C ATOM 1369 O ARG A 88 0.729 -11.402 -11.723 1.00 0.00 O ATOM 1370 CB ARG A 88 3.294 -13.350 -13.210 1.00 0.00 C ATOM 1371 CG ARG A 88 4.543 -13.123 -14.062 1.00 0.00 C ATOM 1372 CD ARG A 88 4.198 -12.379 -15.353 1.00 0.00 C ATOM 1373 NE ARG A 88 3.143 -13.109 -16.091 1.00 0.00 N ATOM 1374 CZ ARG A 88 2.600 -12.683 -17.239 1.00 0.00 C ATOM 1375 NH1 ARG A 88 3.009 -11.532 -17.789 1.00 0.00 N ATOM 1376 NH2 ARG A 88 1.647 -13.411 -17.839 1.00 0.00 N ATOM 0 H ARG A 88 4.458 -12.530 -11.094 1.00 0.00 H new ATOM 0 HA ARG A 88 2.838 -11.254 -13.146 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.471 -14.166 -12.509 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.464 -13.653 -13.848 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.276 -12.551 -13.493 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.003 -14.082 -14.302 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.859 -11.369 -15.121 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.088 -12.282 -15.975 1.00 0.00 H new ATOM 0 HE ARG A 88 2.809 -13.991 -15.702 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.735 -10.979 -17.334 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.595 -11.209 -18.663 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.336 -14.288 -17.421 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.233 -13.088 -18.713 1.00 0.00 H new ATOM 1390 N SER A 89 1.411 -13.492 -11.193 1.00 0.00 N ATOM 1391 CA SER A 89 0.184 -13.835 -10.496 1.00 0.00 C ATOM 1392 C SER A 89 0.002 -12.931 -9.276 1.00 0.00 C ATOM 1393 O SER A 89 -1.038 -12.969 -8.619 1.00 0.00 O ATOM 1394 CB SER A 89 0.182 -15.306 -10.074 1.00 0.00 C ATOM 1395 OG SER A 89 -1.132 -15.783 -9.805 1.00 0.00 O ATOM 0 H SER A 89 2.111 -14.234 -11.215 1.00 0.00 H new ATOM 0 HA SER A 89 -0.651 -13.681 -11.180 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.632 -15.910 -10.862 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.801 -15.429 -9.185 1.00 0.00 H new ATOM 0 HG SER A 89 -1.637 -15.096 -9.322 1.00 0.00 H new ATOM 1401 N LYS A 90 1.030 -12.139 -9.008 1.00 0.00 N ATOM 1402 CA LYS A 90 0.997 -11.228 -7.877 1.00 0.00 C ATOM 1403 C LYS A 90 0.123 -10.022 -8.225 1.00 0.00 C ATOM 1404 O LYS A 90 -0.401 -9.354 -7.336 1.00 0.00 O ATOM 1405 CB LYS A 90 2.418 -10.854 -7.448 1.00 0.00 C ATOM 1406 CG LYS A 90 2.822 -11.604 -6.177 1.00 0.00 C ATOM 1407 CD LYS A 90 2.849 -10.664 -4.971 1.00 0.00 C ATOM 1408 CE LYS A 90 3.209 -11.422 -3.692 1.00 0.00 C ATOM 1409 NZ LYS A 90 2.838 -10.630 -2.498 1.00 0.00 N ATOM 0 H LYS A 90 1.891 -12.110 -9.555 1.00 0.00 H new ATOM 0 HA LYS A 90 0.544 -11.712 -7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.117 -11.088 -8.251 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.479 -9.779 -7.275 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.121 -12.418 -5.992 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.805 -12.055 -6.313 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.574 -9.868 -5.142 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.875 -10.189 -4.854 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.693 -12.382 -3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.278 -11.635 -3.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.089 -11.159 -1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.350 -9.725 -2.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.814 -10.449 -2.506 1.00 0.00 H new ATOM 1423 N ILE A 91 -0.005 -9.778 -9.521 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.807 -8.665 -9.998 1.00 0.00 C ATOM 1425 C ILE A 91 -1.844 -9.179 -10.998 1.00 0.00 C ATOM 1426 O ILE A 91 -2.932 -8.616 -11.112 1.00 0.00 O ATOM 1427 CB ILE A 91 0.093 -7.559 -10.558 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.260 -7.704 -12.072 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.438 -7.526 -9.832 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.206 -6.634 -12.623 1.00 0.00 C ATOM 0 H ILE A 91 0.434 -10.333 -10.256 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.358 -8.211 -9.174 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.392 -6.599 -10.378 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.650 -8.695 -12.305 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.712 -7.621 -12.559 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.057 -6.732 -10.249 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.274 -7.339 -8.771 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.943 -8.484 -9.958 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.308 -6.759 -13.701 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.801 -5.645 -12.409 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.184 -6.735 -12.152 1.00 0.00 H new ATOM 1442 N THR A 92 -1.471 -10.240 -11.695 1.00 0.00 N ATOM 1443 CA THR A 92 -2.356 -10.837 -12.681 1.00 0.00 C ATOM 1444 C THR A 92 -3.817 -10.644 -12.272 1.00 0.00 C ATOM 1445 O THR A 92 -4.241 -11.130 -11.224 1.00 0.00 O ATOM 1446 CB THR A 92 -1.959 -12.305 -12.845 1.00 0.00 C ATOM 1447 OG1 THR A 92 -2.408 -12.643 -14.156 1.00 0.00 O ATOM 1448 CG2 THR A 92 -2.756 -13.234 -11.927 1.00 0.00 C ATOM 0 H THR A 92 -0.567 -10.703 -11.597 1.00 0.00 H new ATOM 0 HA THR A 92 -2.256 -10.348 -13.650 1.00 0.00 H new ATOM 0 HB THR A 92 -0.895 -12.417 -12.639 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.776 -12.294 -14.818 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.435 -14.264 -12.084 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.583 -12.954 -10.888 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.818 -13.147 -12.155 1.00 0.00 H new ATOM 1456 N LYS A 93 -4.547 -9.936 -13.121 1.00 0.00 N ATOM 1457 CA LYS A 93 -5.952 -9.674 -12.861 1.00 0.00 C ATOM 1458 C LYS A 93 -6.097 -9.001 -11.494 1.00 0.00 C ATOM 1459 O LYS A 93 -5.166 -9.017 -10.689 1.00 0.00 O ATOM 1460 CB LYS A 93 -6.774 -10.958 -13.002 1.00 0.00 C ATOM 1461 CG LYS A 93 -7.608 -10.935 -14.285 1.00 0.00 C ATOM 1462 CD LYS A 93 -8.730 -11.974 -14.226 1.00 0.00 C ATOM 1463 CE LYS A 93 -9.999 -11.450 -14.900 1.00 0.00 C ATOM 1464 NZ LYS A 93 -10.993 -12.537 -15.049 1.00 0.00 N ATOM 0 H LYS A 93 -4.192 -9.536 -13.989 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.352 -8.983 -13.603 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -6.109 -11.821 -13.012 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.430 -11.071 -12.139 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -8.034 -9.942 -14.429 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.967 -11.135 -15.144 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -8.406 -12.892 -14.716 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -8.943 -12.226 -13.187 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -10.424 -10.639 -14.308 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.754 -11.036 -15.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -11.849 -12.165 -15.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -10.590 -13.298 -15.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -11.239 -12.913 -14.111 1.00 0.00 H new ATOM 1478 N PRO A 94 -7.302 -8.410 -11.269 1.00 0.00 N ATOM 1479 CA PRO A 94 -7.578 -7.732 -10.013 1.00 0.00 C ATOM 1480 C PRO A 94 -7.824 -8.740 -8.889 1.00 0.00 C ATOM 1481 O PRO A 94 -7.465 -9.911 -9.010 1.00 0.00 O ATOM 1482 CB PRO A 94 -8.786 -6.855 -10.298 1.00 0.00 C ATOM 1483 CG PRO A 94 -9.423 -7.420 -11.559 1.00 0.00 C ATOM 1484 CD PRO A 94 -8.425 -8.372 -12.199 1.00 0.00 C ATOM 0 HA PRO A 94 -6.738 -7.131 -9.666 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -9.488 -6.873 -9.464 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.489 -5.816 -10.442 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -10.349 -7.943 -11.318 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -9.681 -6.617 -12.249 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -8.857 -9.363 -12.339 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -8.114 -8.018 -13.182 1.00 0.00 H new ATOM 1492 N SER A 95 -8.432 -8.248 -7.820 1.00 0.00 N ATOM 1493 CA SER A 95 -8.729 -9.092 -6.674 1.00 0.00 C ATOM 1494 C SER A 95 -10.244 -9.247 -6.517 1.00 0.00 C ATOM 1495 O SER A 95 -11.008 -8.406 -6.986 1.00 0.00 O ATOM 1496 CB SER A 95 -8.120 -8.517 -5.394 1.00 0.00 C ATOM 1497 OG SER A 95 -8.608 -7.208 -5.111 1.00 0.00 O ATOM 0 H SER A 95 -8.727 -7.276 -7.723 1.00 0.00 H new ATOM 0 HA SER A 95 -8.285 -10.072 -6.847 1.00 0.00 H new ATOM 0 HB2 SER A 95 -8.346 -9.177 -4.557 1.00 0.00 H new ATOM 0 HB3 SER A 95 -7.035 -8.486 -5.491 1.00 0.00 H new ATOM 0 HG SER A 95 -8.197 -6.877 -4.285 1.00 0.00 H new ATOM 1503 N GLU A 96 -10.629 -10.329 -5.856 1.00 0.00 N ATOM 1504 CA GLU A 96 -12.038 -10.605 -5.632 1.00 0.00 C ATOM 1505 C GLU A 96 -12.526 -9.889 -4.370 1.00 0.00 C ATOM 1506 O GLU A 96 -11.740 -9.248 -3.675 1.00 0.00 O ATOM 1507 CB GLU A 96 -12.295 -12.110 -5.541 1.00 0.00 C ATOM 1508 CG GLU A 96 -13.592 -12.491 -6.258 1.00 0.00 C ATOM 1509 CD GLU A 96 -14.546 -13.223 -5.314 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -14.048 -14.086 -4.559 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -15.753 -12.903 -5.366 1.00 0.00 O ATOM 0 H GLU A 96 -9.991 -11.024 -5.469 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.602 -10.224 -6.484 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.459 -12.652 -5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -12.353 -12.410 -4.495 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -14.075 -11.594 -6.645 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -13.365 -13.125 -7.115 1.00 0.00 H new ATOM 1518 N SER A 97 -13.818 -10.021 -4.115 1.00 0.00 N ATOM 1519 CA SER A 97 -14.419 -9.395 -2.950 1.00 0.00 C ATOM 1520 C SER A 97 -15.433 -10.345 -2.309 1.00 0.00 C ATOM 1521 O SER A 97 -15.720 -11.411 -2.851 1.00 0.00 O ATOM 1522 CB SER A 97 -15.093 -8.072 -3.321 1.00 0.00 C ATOM 1523 OG SER A 97 -16.185 -8.263 -4.218 1.00 0.00 O ATOM 0 H SER A 97 -14.467 -10.553 -4.696 1.00 0.00 H new ATOM 0 HA SER A 97 -13.628 -9.180 -2.232 1.00 0.00 H new ATOM 0 HB2 SER A 97 -15.449 -7.580 -2.416 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.360 -7.407 -3.778 1.00 0.00 H new ATOM 0 HG SER A 97 -16.590 -7.396 -4.430 1.00 0.00 H new ATOM 1529 N ILE A 98 -15.948 -9.924 -1.163 1.00 0.00 N ATOM 1530 CA ILE A 98 -16.923 -10.725 -0.442 1.00 0.00 C ATOM 1531 C ILE A 98 -17.789 -9.808 0.423 1.00 0.00 C ATOM 1532 O ILE A 98 -17.271 -9.038 1.231 1.00 0.00 O ATOM 1533 CB ILE A 98 -16.228 -11.836 0.346 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -17.120 -13.075 0.452 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -15.776 -11.335 1.719 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -18.489 -12.715 1.033 1.00 0.00 C ATOM 0 H ILE A 98 -15.709 -9.039 -0.716 1.00 0.00 H new ATOM 0 HA ILE A 98 -17.590 -11.231 -1.140 1.00 0.00 H new ATOM 0 HB ILE A 98 -15.332 -12.131 -0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -17.245 -13.523 -0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -16.638 -13.822 1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -15.285 -12.145 2.258 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.078 -10.508 1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -16.643 -10.995 2.286 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -19.104 -13.613 1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -18.361 -12.290 2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -18.978 -11.986 0.387 1.00 0.00 H new ATOM 1548 N ILE A 99 -19.095 -9.920 0.225 1.00 0.00 N ATOM 1549 CA ILE A 99 -20.039 -9.110 0.977 1.00 0.00 C ATOM 1550 C ILE A 99 -20.919 -10.024 1.832 1.00 0.00 C ATOM 1551 O ILE A 99 -20.940 -11.237 1.632 1.00 0.00 O ATOM 1552 CB ILE A 99 -20.830 -8.198 0.038 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -21.697 -9.017 -0.922 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -19.898 -7.239 -0.708 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -22.838 -8.169 -1.487 1.00 0.00 C ATOM 0 H ILE A 99 -19.521 -10.560 -0.445 1.00 0.00 H new ATOM 0 HA ILE A 99 -19.511 -8.444 1.660 1.00 0.00 H new ATOM 0 HB ILE A 99 -21.504 -7.590 0.641 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -21.083 -9.397 -1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -22.106 -9.883 -0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -20.485 -6.602 -1.369 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -19.362 -6.620 0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -19.183 -7.812 -1.298 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -23.439 -8.774 -2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -23.464 -7.810 -0.670 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -22.425 -7.318 -2.028 1.00 0.00 H new ATOM 1567 N THR A 100 -21.624 -9.405 2.769 1.00 0.00 N ATOM 1568 CA THR A 100 -22.504 -10.147 3.655 1.00 0.00 C ATOM 1569 C THR A 100 -23.724 -9.303 4.025 1.00 0.00 C ATOM 1570 O THR A 100 -23.592 -8.121 4.345 1.00 0.00 O ATOM 1571 CB THR A 100 -21.684 -10.595 4.868 1.00 0.00 C ATOM 1572 OG1 THR A 100 -20.888 -11.668 4.372 1.00 0.00 O ATOM 1573 CG2 THR A 100 -22.549 -11.242 5.952 1.00 0.00 C ATOM 0 H THR A 100 -21.603 -8.399 2.933 1.00 0.00 H new ATOM 0 HA THR A 100 -22.901 -11.036 3.165 1.00 0.00 H new ATOM 0 HB THR A 100 -21.158 -9.738 5.287 1.00 0.00 H new ATOM 0 HG1 THR A 100 -20.324 -12.017 5.093 1.00 0.00 H new ATOM 0 HG21 THR A 100 -21.919 -11.542 6.790 1.00 0.00 H new ATOM 0 HG22 THR A 100 -23.295 -10.527 6.297 1.00 0.00 H new ATOM 0 HG23 THR A 100 -23.050 -12.119 5.543 1.00 0.00 H new ATOM 1581 N THR A 101 -24.883 -9.941 3.971 1.00 0.00 N ATOM 1582 CA THR A 101 -26.127 -9.262 4.296 1.00 0.00 C ATOM 1583 C THR A 101 -26.834 -9.970 5.454 1.00 0.00 C ATOM 1584 O THR A 101 -26.469 -11.087 5.817 1.00 0.00 O ATOM 1585 CB THR A 101 -26.972 -9.187 3.023 1.00 0.00 C ATOM 1586 OG1 THR A 101 -28.051 -8.324 3.372 1.00 0.00 O ATOM 1587 CG2 THR A 101 -27.652 -10.517 2.692 1.00 0.00 C ATOM 0 H THR A 101 -24.988 -10.921 3.707 1.00 0.00 H new ATOM 0 HA THR A 101 -25.944 -8.245 4.641 1.00 0.00 H new ATOM 0 HB THR A 101 -26.342 -8.883 2.187 1.00 0.00 H new ATOM 0 HG1 THR A 101 -28.648 -8.219 2.602 1.00 0.00 H new ATOM 0 HG21 THR A 101 -28.239 -10.409 1.780 1.00 0.00 H new ATOM 0 HG22 THR A 101 -26.894 -11.287 2.547 1.00 0.00 H new ATOM 0 HG23 THR A 101 -28.308 -10.805 3.514 1.00 0.00 H new ATOM 1595 N ILE A 102 -27.831 -9.291 6.000 1.00 0.00 N ATOM 1596 CA ILE A 102 -28.593 -9.841 7.108 1.00 0.00 C ATOM 1597 C ILE A 102 -29.994 -9.229 7.114 1.00 0.00 C ATOM 1598 O ILE A 102 -30.310 -8.387 6.273 1.00 0.00 O ATOM 1599 CB ILE A 102 -27.835 -9.652 8.425 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -27.642 -8.167 8.738 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -26.507 -10.412 8.407 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -28.026 -7.857 10.186 1.00 0.00 C ATOM 0 H ILE A 102 -28.129 -8.364 5.696 1.00 0.00 H new ATOM 0 HA ILE A 102 -28.716 -10.917 6.987 1.00 0.00 H new ATOM 0 HB ILE A 102 -28.437 -10.075 9.230 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -26.603 -7.888 8.566 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -28.250 -7.567 8.061 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -25.989 -10.261 9.354 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -26.698 -11.475 8.264 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -25.887 -10.042 7.591 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -27.879 -6.795 10.382 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -29.073 -8.115 10.348 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -27.400 -8.440 10.861 1.00 0.00 H new ATOM 1614 N ASP A 103 -30.797 -9.675 8.067 1.00 0.00 N ATOM 1615 CA ASP A 103 -32.158 -9.181 8.191 1.00 0.00 C ATOM 1616 C ASP A 103 -32.933 -9.506 6.913 1.00 0.00 C ATOM 1617 O ASP A 103 -32.338 -9.699 5.854 1.00 0.00 O ATOM 1618 CB ASP A 103 -32.179 -7.663 8.384 1.00 0.00 C ATOM 1619 CG ASP A 103 -31.494 -7.162 9.656 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -31.922 -7.610 10.744 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -30.561 -6.344 9.516 1.00 0.00 O ATOM 0 H ASP A 103 -30.532 -10.374 8.761 1.00 0.00 H new ATOM 0 HA ASP A 103 -32.612 -9.661 9.058 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -31.700 -7.196 7.524 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -33.216 -7.328 8.392 1.00 0.00 H new ATOM 1626 N SER A 104 -34.249 -9.559 7.055 1.00 0.00 N ATOM 1627 CA SER A 104 -35.112 -9.858 5.925 1.00 0.00 C ATOM 1628 C SER A 104 -36.167 -8.761 5.765 1.00 0.00 C ATOM 1629 O SER A 104 -35.828 -7.584 5.650 1.00 0.00 O ATOM 1630 CB SER A 104 -35.788 -11.221 6.092 1.00 0.00 C ATOM 1631 OG SER A 104 -34.981 -12.282 5.586 1.00 0.00 O ATOM 0 H SER A 104 -34.739 -9.400 7.935 1.00 0.00 H new ATOM 0 HA SER A 104 -34.495 -9.895 5.027 1.00 0.00 H new ATOM 0 HB2 SER A 104 -35.997 -11.396 7.148 1.00 0.00 H new ATOM 0 HB3 SER A 104 -36.747 -11.216 5.574 1.00 0.00 H new ATOM 0 HG SER A 104 -35.446 -13.135 5.712 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -8.242 5.055 -17.722 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.905 6.837 -18.821 1.00 0.00 C HETATM 1640 CHB HEM A 105 -7.104 4.752 -20.954 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.685 3.079 -16.618 1.00 0.00 C HETATM 1642 CHD HEM A 105 -9.240 5.518 -14.485 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.894 5.662 -19.502 1.00 0.00 N HETATM 1644 C1A HEM A 105 -10.059 6.308 -19.789 1.00 0.00 C HETATM 1645 C2A HEM A 105 -10.240 6.417 -21.250 1.00 0.00 C HETATM 1646 C3A HEM A 105 -9.130 5.897 -21.861 1.00 0.00 C HETATM 1647 C4A HEM A 105 -8.289 5.439 -20.778 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.834 5.806 -23.358 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.474 6.963 -21.940 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.655 6.016 -21.807 1.00 0.00 C HETATM 1651 CGA HEM A 105 -12.229 4.563 -21.717 1.00 0.00 C HETATM 1652 O1A HEM A 105 -11.465 4.221 -20.796 1.00 0.00 O HETATM 1653 O2A HEM A 105 -12.616 3.762 -22.587 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.719 4.147 -18.583 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.370 4.136 -19.945 1.00 0.00 C HETATM 1656 C2B HEM A 105 -5.169 3.349 -20.174 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.811 2.823 -18.947 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.751 3.351 -17.986 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.530 3.076 -21.536 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.904 1.785 -18.629 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.602 1.594 -19.031 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.599 4.429 -15.943 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.537 3.573 -15.674 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.410 3.275 -14.230 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.424 3.973 -13.638 1.00 0.00 C HETATM 1666 C4C HEM A 105 -8.133 4.706 -14.695 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.350 2.328 -13.615 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.752 4.015 -12.275 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.780 4.116 -11.294 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.782 5.957 -16.825 1.00 0.00 N HETATM 1671 C1D HEM A 105 -10.023 6.099 -15.453 1.00 0.00 C HETATM 1672 C2D HEM A 105 -11.160 6.947 -15.205 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.588 7.348 -16.415 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.775 6.693 -17.433 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.793 7.283 -13.863 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.649 8.385 -16.688 1.00 0.00 C HETATM 1677 CBD HEM A 105 -14.001 7.730 -16.823 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.737 8.194 -18.057 1.00 0.00 C HETATM 1679 O1D HEM A 105 -14.057 8.591 -19.025 1.00 0.00 O HETATM 1680 O2D HEM A 105 -15.991 8.147 -18.068 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.770 5.717 -23.909 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -8.214 4.931 -23.554 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -8.307 6.704 -23.680 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -3.453 2.956 -21.415 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -4.729 3.913 -22.205 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -4.952 2.165 -21.960 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -5.095 1.551 -14.335 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -5.753 1.868 -12.712 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -4.455 2.898 -13.364 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.655 6.448 -13.176 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.858 7.468 -13.999 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -11.320 8.174 -13.450 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -2.046 0.724 -18.682 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -2.127 2.313 -19.699 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -7.067 4.146 -10.243 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.727 4.165 -11.573 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -13.317 6.144 -22.663 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -13.228 6.279 -20.918 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -11.258 7.130 -22.995 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.733 7.931 -21.511 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.600 7.951 -15.940 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.877 6.648 -16.861 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -12.408 8.929 -17.601 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.670 9.115 -15.879 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.746 7.416 -19.173 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.714 4.687 -21.959 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.895 2.424 -16.280 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.513 5.712 -13.458 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.297 1.018 -17.962 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.800 3.967 -11.980 1.00 0.00 H new