USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 SER OG : rot 89:sc= 0.992 USER MOD Set 1.2: A 84 TYR OH : rot 165:sc= 0.85 USER MOD Single : A 1 VAL N :NH3+ 155:sc= 1.85 (180deg=0.882) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -128:sc= 0.0492 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0.893 K(o=0.89,f=-0.00062) USER MOD Single : A 17 THR OG1 : rot 113:sc= 0.381 USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= 0.956 (180deg=0.575) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 47:sc= 0.244 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.334 K(o=-0.33,f=-1.7) USER MOD Single : A 35 THR OG1 : rot -63:sc= 0.9 USER MOD Single : A 39 ASN : amide:sc= -0.77 K(o=-0.77,f=-3.8!) USER MOD Single : A 41 LYS NZ :NH3+ -161:sc= 1.23 (180deg=1.04) USER MOD Single : A 43 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0135) USER MOD Single : A 48 ASN : amide:sc= -2.09 K(o=-2.1,f=-0.079) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.28) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -150:sc= 0.0149 USER MOD Single : A 66 GLN : amide:sc= 0.256 X(o=0.26,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 90:sc= -0.0736 USER MOD Single : A 79 GLN : amide:sc= -0.0289 X(o=-0.029,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 24:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -10.799 8.530 -2.630 1.00 0.00 N ATOM 2 CA VAL A 1 -11.412 8.668 -1.289 1.00 0.00 C ATOM 3 C VAL A 1 -10.555 8.108 -0.206 1.00 0.00 C ATOM 4 O VAL A 1 -10.308 6.907 -0.121 1.00 0.00 O ATOM 5 CB VAL A 1 -12.830 8.179 -1.290 1.00 0.00 C ATOM 6 CG1 VAL A 1 -12.977 6.801 -1.958 1.00 0.00 C ATOM 7 CG2 VAL A 1 -13.437 8.193 0.124 1.00 0.00 C ATOM 0 H1 VAL A 1 -11.545 8.525 -3.354 1.00 0.00 H new ATOM 0 H2 VAL A 1 -10.156 9.329 -2.801 1.00 0.00 H new ATOM 0 H3 VAL A 1 -10.265 7.639 -2.678 1.00 0.00 H new ATOM 0 HA VAL A 1 -11.470 9.730 -1.049 1.00 0.00 H new ATOM 0 HB VAL A 1 -13.400 8.881 -1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -14.022 6.494 -1.932 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -12.642 6.861 -2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -12.371 6.071 -1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -14.465 7.832 0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -12.852 7.546 0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -13.425 9.210 0.515 1.00 0.00 H new ATOM 19 N SER A 2 -10.012 8.976 0.667 1.00 0.00 N ATOM 20 CA SER A 2 -9.034 8.689 1.671 1.00 0.00 C ATOM 21 C SER A 2 -9.588 7.966 2.849 1.00 0.00 C ATOM 22 O SER A 2 -8.885 7.212 3.520 1.00 0.00 O ATOM 23 CB SER A 2 -8.306 9.964 2.131 1.00 0.00 C ATOM 24 OG SER A 2 -7.095 9.670 2.812 1.00 0.00 O ATOM 0 H SER A 2 -10.281 9.960 0.669 1.00 0.00 H new ATOM 0 HA SER A 2 -8.318 8.020 1.193 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.092 10.591 1.266 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.960 10.538 2.787 1.00 0.00 H new ATOM 0 HG SER A 2 -6.663 10.506 3.086 1.00 0.00 H new ATOM 30 N GLN A 3 -10.887 8.104 3.170 1.00 0.00 N ATOM 31 CA GLN A 3 -11.484 7.321 4.206 1.00 0.00 C ATOM 32 C GLN A 3 -11.550 5.871 3.872 1.00 0.00 C ATOM 33 O GLN A 3 -11.114 4.985 4.606 1.00 0.00 O ATOM 34 CB GLN A 3 -12.892 7.839 4.548 1.00 0.00 C ATOM 35 CG GLN A 3 -13.478 7.220 5.818 1.00 0.00 C ATOM 36 CD GLN A 3 -14.803 7.859 6.207 1.00 0.00 C ATOM 37 OE1 GLN A 3 -14.858 9.001 6.660 1.00 0.00 O ATOM 38 NE2 GLN A 3 -15.922 7.108 6.027 1.00 0.00 N ATOM 0 H GLN A 3 -11.523 8.757 2.712 1.00 0.00 H new ATOM 0 HA GLN A 3 -10.836 7.428 5.076 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -12.853 8.922 4.666 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -13.560 7.633 3.711 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.623 6.150 5.666 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.767 7.332 6.637 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -15.847 6.163 5.649 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -16.836 7.489 6.270 1.00 0.00 H new ATOM 47 N LEU A 4 -12.058 5.592 2.659 1.00 0.00 N ATOM 48 CA LEU A 4 -12.210 4.288 2.093 1.00 0.00 C ATOM 49 C LEU A 4 -10.903 3.584 1.965 1.00 0.00 C ATOM 50 O LEU A 4 -10.788 2.398 2.272 1.00 0.00 O ATOM 51 CB LEU A 4 -12.741 4.373 0.651 1.00 0.00 C ATOM 52 CG LEU A 4 -12.943 2.997 -0.008 1.00 0.00 C ATOM 53 CD1 LEU A 4 -14.045 2.189 0.698 1.00 0.00 C ATOM 54 CD2 LEU A 4 -13.326 3.162 -1.488 1.00 0.00 C ATOM 0 H LEU A 4 -12.384 6.327 2.032 1.00 0.00 H new ATOM 0 HA LEU A 4 -12.891 3.760 2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.690 4.910 0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.045 4.957 0.049 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.999 2.458 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -14.160 1.223 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -13.771 2.034 1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -14.986 2.736 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.465 2.180 -1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.253 3.730 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.532 3.693 -2.012 1.00 0.00 H new ATOM 66 N PHE A 5 -9.889 4.330 1.491 1.00 0.00 N ATOM 67 CA PHE A 5 -8.561 3.878 1.210 1.00 0.00 C ATOM 68 C PHE A 5 -8.025 3.001 2.288 1.00 0.00 C ATOM 69 O PHE A 5 -7.611 1.869 2.041 1.00 0.00 O ATOM 70 CB PHE A 5 -7.688 5.087 0.834 1.00 0.00 C ATOM 71 CG PHE A 5 -6.311 5.106 1.407 1.00 0.00 C ATOM 72 CD1 PHE A 5 -5.295 4.399 0.810 1.00 0.00 C ATOM 73 CD2 PHE A 5 -6.087 5.683 2.635 1.00 0.00 C ATOM 74 CE1 PHE A 5 -4.103 4.209 1.468 1.00 0.00 C ATOM 75 CE2 PHE A 5 -4.909 5.480 3.314 1.00 0.00 C ATOM 76 CZ PHE A 5 -3.930 4.706 2.739 1.00 0.00 C ATOM 0 H PHE A 5 -10.007 5.323 1.290 1.00 0.00 H new ATOM 0 HA PHE A 5 -8.560 3.219 0.342 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.608 5.128 -0.252 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.204 5.994 1.150 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -5.434 3.991 -0.180 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.851 6.307 3.074 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.301 3.669 0.986 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.755 5.923 4.287 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.024 4.488 3.285 1.00 0.00 H new ATOM 86 N GLU A 6 -8.076 3.463 3.550 1.00 0.00 N ATOM 87 CA GLU A 6 -7.523 2.732 4.647 1.00 0.00 C ATOM 88 C GLU A 6 -8.518 1.779 5.216 1.00 0.00 C ATOM 89 O GLU A 6 -8.122 0.714 5.685 1.00 0.00 O ATOM 90 CB GLU A 6 -6.858 3.584 5.741 1.00 0.00 C ATOM 91 CG GLU A 6 -7.794 4.650 6.314 1.00 0.00 C ATOM 92 CD GLU A 6 -7.201 5.448 7.467 1.00 0.00 C ATOM 93 OE1 GLU A 6 -6.826 4.868 8.521 1.00 0.00 O ATOM 94 OE2 GLU A 6 -7.123 6.699 7.335 1.00 0.00 O ATOM 0 H GLU A 6 -8.504 4.351 3.812 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.698 2.167 4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.520 2.933 6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.972 4.068 5.330 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.073 5.338 5.516 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.710 4.168 6.654 1.00 0.00 H new ATOM 101 N GLU A 7 -9.829 2.063 5.131 1.00 0.00 N ATOM 102 CA GLU A 7 -10.870 1.144 5.476 1.00 0.00 C ATOM 103 C GLU A 7 -10.774 -0.160 4.763 1.00 0.00 C ATOM 104 O GLU A 7 -10.846 -1.230 5.365 1.00 0.00 O ATOM 105 CB GLU A 7 -12.237 1.811 5.253 1.00 0.00 C ATOM 106 CG GLU A 7 -13.457 0.896 5.383 1.00 0.00 C ATOM 107 CD GLU A 7 -14.786 1.627 5.507 1.00 0.00 C ATOM 108 OE1 GLU A 7 -14.847 2.886 5.500 1.00 0.00 O ATOM 109 OE2 GLU A 7 -15.809 0.916 5.694 1.00 0.00 O ATOM 0 H GLU A 7 -10.178 2.966 4.810 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.751 0.899 6.532 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.342 2.628 5.967 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.245 2.255 4.258 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.498 0.240 4.513 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.325 0.258 6.257 1.00 0.00 H new ATOM 116 N LYS A 8 -10.548 -0.137 3.437 1.00 0.00 N ATOM 117 CA LYS A 8 -10.312 -1.314 2.661 1.00 0.00 C ATOM 118 C LYS A 8 -8.880 -1.717 2.576 1.00 0.00 C ATOM 119 O LYS A 8 -8.605 -2.888 2.316 1.00 0.00 O ATOM 120 CB LYS A 8 -10.890 -1.193 1.241 1.00 0.00 C ATOM 121 CG LYS A 8 -12.380 -0.849 1.187 1.00 0.00 C ATOM 122 CD LYS A 8 -13.290 -1.809 1.957 1.00 0.00 C ATOM 123 CE LYS A 8 -14.769 -1.545 1.673 1.00 0.00 C ATOM 124 NZ LYS A 8 -15.656 -2.408 2.485 1.00 0.00 N ATOM 0 H LYS A 8 -10.529 0.724 2.890 1.00 0.00 H new ATOM 0 HA LYS A 8 -10.835 -2.100 3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.334 -0.427 0.701 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -10.729 -2.134 0.716 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.520 0.157 1.582 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.696 -0.829 0.144 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.046 -2.836 1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.102 -1.708 3.026 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.996 -0.499 1.878 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.970 -1.713 0.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.649 -2.195 2.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.459 -3.407 2.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.484 -2.230 3.495 1.00 0.00 H new ATOM 138 N ALA A 9 -7.884 -0.847 2.820 1.00 0.00 N ATOM 139 CA ALA A 9 -6.513 -1.256 2.840 1.00 0.00 C ATOM 140 C ALA A 9 -6.205 -2.211 3.940 1.00 0.00 C ATOM 141 O ALA A 9 -5.592 -3.265 3.773 1.00 0.00 O ATOM 142 CB ALA A 9 -5.525 -0.096 3.042 1.00 0.00 C ATOM 0 H ALA A 9 -8.029 0.146 3.005 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.389 -1.714 1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.506 -0.483 3.046 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.637 0.623 2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.731 0.396 3.993 1.00 0.00 H new ATOM 148 N LYS A 10 -6.708 -1.867 5.139 1.00 0.00 N ATOM 149 CA LYS A 10 -6.678 -2.714 6.291 1.00 0.00 C ATOM 150 C LYS A 10 -7.488 -3.956 6.145 1.00 0.00 C ATOM 151 O LYS A 10 -7.308 -4.916 6.893 1.00 0.00 O ATOM 152 CB LYS A 10 -7.287 -1.870 7.424 1.00 0.00 C ATOM 153 CG LYS A 10 -6.407 -0.743 7.966 1.00 0.00 C ATOM 154 CD LYS A 10 -7.245 0.149 8.884 1.00 0.00 C ATOM 155 CE LYS A 10 -6.521 1.391 9.406 1.00 0.00 C ATOM 156 NZ LYS A 10 -7.463 2.183 10.229 1.00 0.00 N ATOM 0 H LYS A 10 -7.152 -0.965 5.313 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.654 -3.042 6.469 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.220 -1.435 7.066 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.541 -2.535 8.249 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.561 -1.157 8.514 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.998 -0.157 7.143 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.137 0.466 8.344 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.581 -0.443 9.735 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.654 1.101 9.999 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.152 1.990 8.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.470 3.168 9.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.419 1.782 10.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.162 2.156 11.224 1.00 0.00 H new ATOM 170 N ALA A 11 -8.413 -4.015 5.170 1.00 0.00 N ATOM 171 CA ALA A 11 -9.063 -5.225 4.774 1.00 0.00 C ATOM 172 C ALA A 11 -8.148 -6.043 3.929 1.00 0.00 C ATOM 173 O ALA A 11 -7.806 -7.159 4.318 1.00 0.00 O ATOM 174 CB ALA A 11 -10.385 -4.978 4.029 1.00 0.00 C ATOM 0 H ALA A 11 -8.717 -3.197 4.642 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.309 -5.766 5.688 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.832 -5.933 3.754 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.070 -4.430 4.676 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.192 -4.395 3.128 1.00 0.00 H new ATOM 180 N VAL A 12 -7.674 -5.549 2.772 1.00 0.00 N ATOM 181 CA VAL A 12 -6.967 -6.303 1.784 1.00 0.00 C ATOM 182 C VAL A 12 -5.675 -6.866 2.268 1.00 0.00 C ATOM 183 O VAL A 12 -5.275 -7.964 1.883 1.00 0.00 O ATOM 184 CB VAL A 12 -6.826 -5.579 0.478 1.00 0.00 C ATOM 185 CG1 VAL A 12 -8.243 -5.336 -0.070 1.00 0.00 C ATOM 186 CG2 VAL A 12 -5.994 -4.290 0.585 1.00 0.00 C ATOM 0 H VAL A 12 -7.791 -4.570 2.512 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.604 -7.165 1.586 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.259 -6.193 -0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.179 -4.810 -1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.745 -6.292 -0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.809 -4.734 0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.931 -3.815 -0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.470 -3.607 1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.991 -4.532 0.936 1.00 0.00 H new ATOM 196 N ASN A 13 -5.017 -6.192 3.228 1.00 0.00 N ATOM 197 CA ASN A 13 -3.809 -6.687 3.812 1.00 0.00 C ATOM 198 C ASN A 13 -4.035 -7.687 4.893 1.00 0.00 C ATOM 199 O ASN A 13 -3.085 -8.238 5.446 1.00 0.00 O ATOM 200 CB ASN A 13 -2.978 -5.511 4.353 1.00 0.00 C ATOM 201 CG ASN A 13 -2.389 -4.743 3.179 1.00 0.00 C ATOM 202 OD1 ASN A 13 -1.448 -5.197 2.529 1.00 0.00 O ATOM 203 ND2 ASN A 13 -2.967 -3.553 2.862 1.00 0.00 N ATOM 0 H ASN A 13 -5.326 -5.295 3.603 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.269 -7.207 3.020 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.603 -4.854 4.958 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.182 -5.878 5.001 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.621 -3.014 2.068 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.746 -3.200 3.418 1.00 0.00 H new ATOM 210 N GLU A 14 -5.301 -7.996 5.226 1.00 0.00 N ATOM 211 CA GLU A 14 -5.701 -8.919 6.242 1.00 0.00 C ATOM 212 C GLU A 14 -6.696 -9.918 5.758 1.00 0.00 C ATOM 213 O GLU A 14 -7.208 -10.745 6.510 1.00 0.00 O ATOM 214 CB GLU A 14 -6.222 -8.136 7.460 1.00 0.00 C ATOM 215 CG GLU A 14 -6.247 -8.919 8.774 1.00 0.00 C ATOM 216 CD GLU A 14 -6.606 -8.078 9.991 1.00 0.00 C ATOM 217 OE1 GLU A 14 -5.837 -7.142 10.339 1.00 0.00 O ATOM 218 OE2 GLU A 14 -7.639 -8.370 10.650 1.00 0.00 O ATOM 0 H GLU A 14 -6.098 -7.571 4.752 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.828 -9.501 6.535 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.602 -7.250 7.595 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.232 -7.788 7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.964 -9.735 8.685 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.268 -9.371 8.934 1.00 0.00 H new ATOM 225 N LEU A 15 -7.023 -9.950 4.453 1.00 0.00 N ATOM 226 CA LEU A 15 -8.024 -10.803 3.890 1.00 0.00 C ATOM 227 C LEU A 15 -7.637 -12.243 3.893 1.00 0.00 C ATOM 228 O LEU A 15 -6.454 -12.558 3.998 1.00 0.00 O ATOM 229 CB LEU A 15 -8.380 -10.337 2.469 1.00 0.00 C ATOM 230 CG LEU A 15 -9.467 -9.254 2.369 1.00 0.00 C ATOM 231 CD1 LEU A 15 -9.717 -8.848 0.906 1.00 0.00 C ATOM 232 CD2 LEU A 15 -10.819 -9.621 3.003 1.00 0.00 C ATOM 0 H LEU A 15 -6.569 -9.355 3.760 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.903 -10.723 4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.474 -9.960 1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.705 -11.204 1.894 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.058 -8.425 2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.491 -8.081 0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.796 -8.456 0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.042 -9.719 0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.516 -8.792 2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.221 -10.509 2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.680 -9.823 4.065 1.00 0.00 H new ATOM 244 N PRO A 16 -8.529 -13.184 3.796 1.00 0.00 N ATOM 245 CA PRO A 16 -8.186 -14.572 3.692 1.00 0.00 C ATOM 246 C PRO A 16 -7.759 -14.919 2.307 1.00 0.00 C ATOM 247 O PRO A 16 -7.063 -15.914 2.116 1.00 0.00 O ATOM 248 CB PRO A 16 -9.487 -15.287 4.048 1.00 0.00 C ATOM 249 CG PRO A 16 -10.600 -14.354 3.544 1.00 0.00 C ATOM 250 CD PRO A 16 -9.959 -12.961 3.640 1.00 0.00 C ATOM 0 HA PRO A 16 -7.353 -14.849 4.338 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.544 -16.265 3.570 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.566 -15.452 5.122 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.894 -14.593 2.522 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.497 -14.428 4.159 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.166 -12.374 2.745 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.361 -12.405 4.487 1.00 0.00 H new ATOM 258 N THR A 17 -8.166 -14.112 1.310 1.00 0.00 N ATOM 259 CA THR A 17 -7.768 -14.225 -0.059 1.00 0.00 C ATOM 260 C THR A 17 -6.738 -13.160 -0.211 1.00 0.00 C ATOM 261 O THR A 17 -6.997 -12.014 -0.571 1.00 0.00 O ATOM 262 CB THR A 17 -8.902 -14.001 -1.016 1.00 0.00 C ATOM 263 OG1 THR A 17 -10.046 -14.761 -0.654 1.00 0.00 O ATOM 264 CG2 THR A 17 -8.517 -14.410 -2.448 1.00 0.00 C ATOM 0 H THR A 17 -8.809 -13.337 1.469 1.00 0.00 H new ATOM 0 HA THR A 17 -7.405 -15.226 -0.290 1.00 0.00 H new ATOM 0 HB THR A 17 -9.127 -12.935 -0.973 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.765 -14.157 -0.375 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.361 -14.235 -3.116 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.664 -13.818 -2.779 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.253 -15.468 -2.466 1.00 0.00 H new ATOM 272 N LYS A 18 -5.508 -13.505 0.212 1.00 0.00 N ATOM 273 CA LYS A 18 -4.396 -12.611 0.311 1.00 0.00 C ATOM 274 C LYS A 18 -3.920 -12.063 -0.990 1.00 0.00 C ATOM 275 O LYS A 18 -4.201 -12.678 -2.018 1.00 0.00 O ATOM 276 CB LYS A 18 -3.288 -13.295 1.130 1.00 0.00 C ATOM 277 CG LYS A 18 -3.812 -13.638 2.526 1.00 0.00 C ATOM 278 CD LYS A 18 -2.751 -14.080 3.536 1.00 0.00 C ATOM 279 CE LYS A 18 -3.320 -14.343 4.933 1.00 0.00 C ATOM 280 NZ LYS A 18 -4.062 -13.159 5.420 1.00 0.00 N ATOM 0 H LYS A 18 -5.278 -14.456 0.499 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.731 -11.715 0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.956 -14.201 0.624 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.422 -12.637 1.208 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.329 -12.765 2.926 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.553 -14.432 2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.267 -14.986 3.172 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.981 -13.312 3.603 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.982 -15.209 4.906 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.511 -14.582 5.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.296 -13.285 6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.474 -12.309 5.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.939 -13.049 4.872 1.00 0.00 H new ATOM 294 N PRO A 19 -3.270 -10.940 -1.068 1.00 0.00 N ATOM 295 CA PRO A 19 -3.114 -10.236 -2.308 1.00 0.00 C ATOM 296 C PRO A 19 -2.251 -10.919 -3.312 1.00 0.00 C ATOM 297 O PRO A 19 -1.370 -11.692 -2.938 1.00 0.00 O ATOM 298 CB PRO A 19 -2.485 -8.899 -1.927 1.00 0.00 C ATOM 299 CG PRO A 19 -2.923 -8.667 -0.472 1.00 0.00 C ATOM 300 CD PRO A 19 -2.914 -10.105 0.068 1.00 0.00 C ATOM 0 HA PRO A 19 -4.087 -10.155 -2.793 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.399 -8.932 -2.014 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.832 -8.097 -2.579 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.233 -8.019 0.068 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.909 -8.208 -0.406 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.933 -10.372 0.461 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.627 -10.224 0.883 1.00 0.00 H new ATOM 308 N SER A 20 -2.460 -10.676 -4.618 1.00 0.00 N ATOM 309 CA SER A 20 -1.694 -11.281 -5.664 1.00 0.00 C ATOM 310 C SER A 20 -0.394 -10.601 -5.925 1.00 0.00 C ATOM 311 O SER A 20 -0.288 -9.379 -5.828 1.00 0.00 O ATOM 312 CB SER A 20 -2.472 -11.361 -6.989 1.00 0.00 C ATOM 313 OG SER A 20 -3.553 -12.275 -6.866 1.00 0.00 O ATOM 0 H SER A 20 -3.182 -10.041 -4.957 1.00 0.00 H new ATOM 0 HA SER A 20 -1.489 -12.285 -5.293 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.849 -10.374 -7.259 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.807 -11.679 -7.792 1.00 0.00 H new ATOM 0 HG SER A 20 -4.348 -11.800 -6.546 1.00 0.00 H new ATOM 319 N THR A 21 0.663 -11.349 -6.285 1.00 0.00 N ATOM 320 CA THR A 21 2.037 -10.955 -6.317 1.00 0.00 C ATOM 321 C THR A 21 2.406 -9.729 -7.079 1.00 0.00 C ATOM 322 O THR A 21 3.081 -8.845 -6.553 1.00 0.00 O ATOM 323 CB THR A 21 2.905 -12.091 -6.774 1.00 0.00 C ATOM 324 OG1 THR A 21 2.711 -13.205 -5.914 1.00 0.00 O ATOM 325 CG2 THR A 21 4.410 -11.780 -6.702 1.00 0.00 C ATOM 0 H THR A 21 0.543 -12.318 -6.580 1.00 0.00 H new ATOM 0 HA THR A 21 2.214 -10.680 -5.277 1.00 0.00 H new ATOM 0 HB THR A 21 2.620 -12.280 -7.809 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.275 -13.949 -6.211 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.977 -12.645 -7.047 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.635 -10.922 -7.336 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.686 -11.553 -5.672 1.00 0.00 H new ATOM 333 N ASP A 22 1.999 -9.592 -8.353 1.00 0.00 N ATOM 334 CA ASP A 22 2.299 -8.477 -9.197 1.00 0.00 C ATOM 335 C ASP A 22 1.430 -7.290 -8.960 1.00 0.00 C ATOM 336 O ASP A 22 1.718 -6.173 -9.386 1.00 0.00 O ATOM 337 CB ASP A 22 2.300 -8.920 -10.670 1.00 0.00 C ATOM 338 CG ASP A 22 1.026 -9.607 -11.141 1.00 0.00 C ATOM 339 OD1 ASP A 22 0.611 -10.620 -10.518 1.00 0.00 O ATOM 340 OD2 ASP A 22 0.471 -9.191 -12.193 1.00 0.00 O ATOM 0 H ASP A 22 1.429 -10.298 -8.820 1.00 0.00 H new ATOM 0 HA ASP A 22 3.300 -8.135 -8.934 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.474 -8.045 -11.296 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.139 -9.598 -10.828 1.00 0.00 H new ATOM 345 N GLU A 23 0.334 -7.491 -8.206 1.00 0.00 N ATOM 346 CA GLU A 23 -0.513 -6.444 -7.723 1.00 0.00 C ATOM 347 C GLU A 23 0.034 -5.904 -6.447 1.00 0.00 C ATOM 348 O GLU A 23 0.164 -4.690 -6.299 1.00 0.00 O ATOM 349 CB GLU A 23 -1.959 -6.957 -7.609 1.00 0.00 C ATOM 350 CG GLU A 23 -2.476 -7.434 -8.968 1.00 0.00 C ATOM 351 CD GLU A 23 -3.924 -7.899 -8.986 1.00 0.00 C ATOM 352 OE1 GLU A 23 -4.654 -7.808 -7.963 1.00 0.00 O ATOM 353 OE2 GLU A 23 -4.357 -8.373 -10.071 1.00 0.00 O ATOM 0 H GLU A 23 0.025 -8.421 -7.921 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.536 -5.611 -8.426 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.004 -7.775 -6.890 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.602 -6.163 -7.229 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.363 -6.622 -9.686 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.844 -8.253 -9.311 1.00 0.00 H new ATOM 360 N LEU A 24 0.443 -6.760 -5.495 1.00 0.00 N ATOM 361 CA LEU A 24 1.050 -6.472 -4.232 1.00 0.00 C ATOM 362 C LEU A 24 2.129 -5.445 -4.208 1.00 0.00 C ATOM 363 O LEU A 24 2.173 -4.623 -3.294 1.00 0.00 O ATOM 364 CB LEU A 24 1.563 -7.803 -3.658 1.00 0.00 C ATOM 365 CG LEU A 24 2.102 -7.789 -2.217 1.00 0.00 C ATOM 366 CD1 LEU A 24 1.099 -7.178 -1.224 1.00 0.00 C ATOM 367 CD2 LEU A 24 2.438 -9.239 -1.834 1.00 0.00 C ATOM 0 H LEU A 24 0.335 -7.766 -5.628 1.00 0.00 H new ATOM 0 HA LEU A 24 0.272 -6.008 -3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.750 -8.527 -3.707 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.355 -8.169 -4.311 1.00 0.00 H new ATOM 0 HG LEU A 24 2.991 -7.160 -2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.526 -7.191 -0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.882 -6.150 -1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.177 -7.760 -1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.824 -9.266 -0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.538 -9.850 -1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.191 -9.631 -2.518 1.00 0.00 H new ATOM 379 N LEU A 25 3.009 -5.389 -5.223 1.00 0.00 N ATOM 380 CA LEU A 25 3.935 -4.324 -5.452 1.00 0.00 C ATOM 381 C LEU A 25 3.335 -2.961 -5.430 1.00 0.00 C ATOM 382 O LEU A 25 3.729 -2.069 -4.681 1.00 0.00 O ATOM 383 CB LEU A 25 4.565 -4.503 -6.844 1.00 0.00 C ATOM 384 CG LEU A 25 5.672 -5.570 -6.898 1.00 0.00 C ATOM 385 CD1 LEU A 25 5.821 -6.056 -8.349 1.00 0.00 C ATOM 386 CD2 LEU A 25 6.999 -4.999 -6.371 1.00 0.00 C ATOM 0 H LEU A 25 3.078 -6.128 -5.922 1.00 0.00 H new ATOM 0 HA LEU A 25 4.653 -4.384 -4.634 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.782 -4.770 -7.554 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.979 -3.549 -7.170 1.00 0.00 H new ATOM 0 HG LEU A 25 5.402 -6.412 -6.261 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.603 -6.813 -8.401 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.878 -6.485 -8.688 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.088 -5.215 -8.989 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.770 -5.768 -6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.298 -4.149 -6.984 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.871 -4.675 -5.338 1.00 0.00 H new ATOM 398 N GLU A 26 2.312 -2.763 -6.282 1.00 0.00 N ATOM 399 CA GLU A 26 1.637 -1.512 -6.442 1.00 0.00 C ATOM 400 C GLU A 26 0.622 -1.264 -5.380 1.00 0.00 C ATOM 401 O GLU A 26 0.394 -0.132 -4.956 1.00 0.00 O ATOM 402 CB GLU A 26 1.028 -1.453 -7.853 1.00 0.00 C ATOM 403 CG GLU A 26 2.117 -1.624 -8.913 1.00 0.00 C ATOM 404 CD GLU A 26 1.573 -1.464 -10.326 1.00 0.00 C ATOM 405 OE1 GLU A 26 0.986 -0.386 -10.610 1.00 0.00 O ATOM 406 OE2 GLU A 26 1.741 -2.406 -11.146 1.00 0.00 O ATOM 0 H GLU A 26 1.942 -3.501 -6.881 1.00 0.00 H new ATOM 0 HA GLU A 26 2.364 -0.708 -6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.277 -2.235 -7.965 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.519 -0.500 -7.996 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.905 -0.890 -8.744 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.571 -2.609 -8.810 1.00 0.00 H new ATOM 413 N LEU A 27 -0.010 -2.323 -4.842 1.00 0.00 N ATOM 414 CA LEU A 27 -0.921 -2.237 -3.744 1.00 0.00 C ATOM 415 C LEU A 27 -0.245 -1.891 -2.463 1.00 0.00 C ATOM 416 O LEU A 27 -0.818 -1.187 -1.634 1.00 0.00 O ATOM 417 CB LEU A 27 -1.775 -3.510 -3.613 1.00 0.00 C ATOM 418 CG LEU A 27 -3.051 -3.541 -4.471 1.00 0.00 C ATOM 419 CD1 LEU A 27 -4.080 -2.498 -4.000 1.00 0.00 C ATOM 420 CD2 LEU A 27 -2.817 -3.391 -5.983 1.00 0.00 C ATOM 0 H LEU A 27 0.119 -3.275 -5.185 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.597 -1.411 -3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.159 -4.369 -3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.058 -3.631 -2.567 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.447 -4.545 -4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.967 -2.551 -4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.358 -2.702 -2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.645 -1.501 -4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.774 -3.425 -6.504 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.328 -2.437 -6.183 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.183 -4.204 -6.335 1.00 0.00 H new ATOM 432 N TYR A 28 1.017 -2.304 -2.247 1.00 0.00 N ATOM 433 CA TYR A 28 1.903 -1.753 -1.267 1.00 0.00 C ATOM 434 C TYR A 28 2.096 -0.296 -1.511 1.00 0.00 C ATOM 435 O TYR A 28 1.803 0.509 -0.629 1.00 0.00 O ATOM 436 CB TYR A 28 3.244 -2.505 -1.246 1.00 0.00 C ATOM 437 CG TYR A 28 4.395 -1.862 -0.550 1.00 0.00 C ATOM 438 CD1 TYR A 28 5.184 -0.950 -1.209 1.00 0.00 C ATOM 439 CD2 TYR A 28 4.719 -2.198 0.744 1.00 0.00 C ATOM 440 CE1 TYR A 28 6.248 -0.342 -0.586 1.00 0.00 C ATOM 441 CE2 TYR A 28 5.830 -1.660 1.348 1.00 0.00 C ATOM 442 CZ TYR A 28 6.600 -0.735 0.683 1.00 0.00 C ATOM 443 OH TYR A 28 7.736 -0.186 1.315 1.00 0.00 O ATOM 0 H TYR A 28 1.441 -3.061 -2.783 1.00 0.00 H new ATOM 0 HA TYR A 28 1.452 -1.876 -0.282 1.00 0.00 H new ATOM 0 HB2 TYR A 28 3.075 -3.477 -0.783 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.539 -2.690 -2.279 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.964 -0.706 -2.238 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.095 -2.890 1.290 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.802 0.437 -1.089 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.099 -1.965 2.348 1.00 0.00 H new ATOM 0 HH TYR A 28 7.731 0.788 1.208 1.00 0.00 H new ATOM 453 N ALA A 29 2.558 0.089 -2.714 1.00 0.00 N ATOM 454 CA ALA A 29 2.889 1.431 -3.080 1.00 0.00 C ATOM 455 C ALA A 29 1.831 2.422 -2.735 1.00 0.00 C ATOM 456 O ALA A 29 2.094 3.368 -1.994 1.00 0.00 O ATOM 457 CB ALA A 29 3.258 1.513 -4.571 1.00 0.00 C ATOM 0 H ALA A 29 2.709 -0.574 -3.474 1.00 0.00 H new ATOM 0 HA ALA A 29 3.759 1.704 -2.483 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.506 2.543 -4.828 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.117 0.872 -4.769 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.412 1.182 -5.174 1.00 0.00 H new ATOM 463 N LEU A 30 0.578 2.229 -3.186 1.00 0.00 N ATOM 464 CA LEU A 30 -0.518 3.084 -2.850 1.00 0.00 C ATOM 465 C LEU A 30 -0.925 3.110 -1.416 1.00 0.00 C ATOM 466 O LEU A 30 -1.284 4.157 -0.879 1.00 0.00 O ATOM 467 CB LEU A 30 -1.767 2.706 -3.662 1.00 0.00 C ATOM 468 CG LEU A 30 -1.753 3.285 -5.087 1.00 0.00 C ATOM 469 CD1 LEU A 30 -1.227 2.290 -6.136 1.00 0.00 C ATOM 470 CD2 LEU A 30 -3.191 3.701 -5.441 1.00 0.00 C ATOM 0 H LEU A 30 0.320 1.457 -3.801 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.135 4.076 -3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.843 1.620 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.655 3.062 -3.140 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.072 4.136 -5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.242 2.758 -7.121 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.206 2.003 -5.886 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.860 1.403 -6.146 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.212 4.116 -6.449 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.844 2.829 -5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.537 4.453 -4.732 1.00 0.00 H new ATOM 482 N TYR A 31 -0.869 1.954 -0.730 1.00 0.00 N ATOM 483 CA TYR A 31 -1.156 1.859 0.667 1.00 0.00 C ATOM 484 C TYR A 31 -0.215 2.694 1.465 1.00 0.00 C ATOM 485 O TYR A 31 -0.599 3.560 2.250 1.00 0.00 O ATOM 486 CB TYR A 31 -1.187 0.401 1.153 1.00 0.00 C ATOM 487 CG TYR A 31 -1.469 0.356 2.615 1.00 0.00 C ATOM 488 CD1 TYR A 31 -2.530 1.029 3.175 1.00 0.00 C ATOM 489 CD2 TYR A 31 -0.536 -0.235 3.435 1.00 0.00 C ATOM 490 CE1 TYR A 31 -2.735 1.011 4.535 1.00 0.00 C ATOM 491 CE2 TYR A 31 -0.699 -0.197 4.799 1.00 0.00 C ATOM 492 CZ TYR A 31 -1.809 0.401 5.348 1.00 0.00 C ATOM 493 OH TYR A 31 -1.957 0.467 6.750 1.00 0.00 O ATOM 0 H TYR A 31 -0.618 1.063 -1.158 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.159 2.256 0.822 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.951 -0.156 0.610 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.232 -0.081 0.944 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.210 1.578 2.540 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.324 -0.729 3.007 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.615 1.471 4.960 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.048 -0.639 5.442 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.220 -0.015 7.180 1.00 0.00 H new ATOM 503 N LYS A 32 1.096 2.481 1.251 1.00 0.00 N ATOM 504 CA LYS A 32 2.191 3.257 1.747 1.00 0.00 C ATOM 505 C LYS A 32 2.096 4.702 1.403 1.00 0.00 C ATOM 506 O LYS A 32 2.339 5.561 2.249 1.00 0.00 O ATOM 507 CB LYS A 32 3.533 2.654 1.297 1.00 0.00 C ATOM 508 CG LYS A 32 3.842 1.237 1.785 1.00 0.00 C ATOM 509 CD LYS A 32 3.748 0.967 3.288 1.00 0.00 C ATOM 510 CE LYS A 32 4.517 1.958 4.164 1.00 0.00 C ATOM 511 NZ LYS A 32 4.514 1.495 5.569 1.00 0.00 N ATOM 0 H LYS A 32 1.416 1.698 0.681 1.00 0.00 H new ATOM 0 HA LYS A 32 2.137 3.211 2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.558 2.653 0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.333 3.313 1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.163 0.552 1.278 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.851 0.983 1.461 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.698 0.982 3.581 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.120 -0.038 3.487 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.542 2.054 3.806 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.062 2.946 4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.038 2.173 6.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.534 1.425 5.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.968 0.561 5.628 1.00 0.00 H new ATOM 525 N GLN A 33 1.672 5.047 0.173 1.00 0.00 N ATOM 526 CA GLN A 33 1.524 6.394 -0.283 1.00 0.00 C ATOM 527 C GLN A 33 0.592 7.198 0.559 1.00 0.00 C ATOM 528 O GLN A 33 0.989 8.206 1.142 1.00 0.00 O ATOM 529 CB GLN A 33 0.982 6.486 -1.719 1.00 0.00 C ATOM 530 CG GLN A 33 2.023 6.325 -2.828 1.00 0.00 C ATOM 531 CD GLN A 33 1.329 6.082 -4.161 1.00 0.00 C ATOM 532 OE1 GLN A 33 0.436 6.832 -4.548 1.00 0.00 O ATOM 533 NE2 GLN A 33 1.743 5.001 -4.877 1.00 0.00 N ATOM 0 H GLN A 33 1.422 4.356 -0.534 1.00 0.00 H new ATOM 0 HA GLN A 33 2.537 6.792 -0.225 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.217 5.721 -1.849 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.492 7.452 -1.842 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.643 7.219 -2.889 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.687 5.492 -2.597 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.489 4.406 -4.516 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.308 4.786 -5.774 1.00 0.00 H new ATOM 542 N ALA A 34 -0.686 6.789 0.649 1.00 0.00 N ATOM 543 CA ALA A 34 -1.647 7.490 1.442 1.00 0.00 C ATOM 544 C ALA A 34 -1.642 7.169 2.897 1.00 0.00 C ATOM 545 O ALA A 34 -2.294 7.888 3.653 1.00 0.00 O ATOM 546 CB ALA A 34 -3.058 7.395 0.838 1.00 0.00 C ATOM 0 H ALA A 34 -1.055 5.968 0.169 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.319 8.529 1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.761 7.940 1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.056 7.829 -0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.359 6.349 0.779 1.00 0.00 H new ATOM 552 N THR A 35 -0.904 6.163 3.400 1.00 0.00 N ATOM 553 CA THR A 35 -0.671 6.071 4.808 1.00 0.00 C ATOM 554 C THR A 35 0.202 7.176 5.296 1.00 0.00 C ATOM 555 O THR A 35 -0.195 7.910 6.200 1.00 0.00 O ATOM 556 CB THR A 35 -0.156 4.791 5.396 1.00 0.00 C ATOM 557 OG1 THR A 35 0.765 4.124 4.546 1.00 0.00 O ATOM 558 CG2 THR A 35 -1.322 3.822 5.652 1.00 0.00 C ATOM 0 H THR A 35 -0.475 5.424 2.843 1.00 0.00 H new ATOM 0 HA THR A 35 -1.699 6.135 5.164 1.00 0.00 H new ATOM 0 HB THR A 35 0.352 5.067 6.320 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.315 3.867 3.714 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.938 2.895 6.079 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.027 4.277 6.347 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.828 3.606 4.711 1.00 0.00 H new ATOM 566 N VAL A 36 1.412 7.370 4.743 1.00 0.00 N ATOM 567 CA VAL A 36 2.233 8.484 5.104 1.00 0.00 C ATOM 568 C VAL A 36 1.949 9.706 4.300 1.00 0.00 C ATOM 569 O VAL A 36 1.405 10.680 4.817 1.00 0.00 O ATOM 570 CB VAL A 36 3.695 8.163 5.191 1.00 0.00 C ATOM 571 CG1 VAL A 36 4.208 7.289 4.034 1.00 0.00 C ATOM 572 CG2 VAL A 36 4.556 9.416 5.419 1.00 0.00 C ATOM 0 H VAL A 36 1.824 6.753 4.043 1.00 0.00 H new ATOM 0 HA VAL A 36 1.940 8.725 6.126 1.00 0.00 H new ATOM 0 HB VAL A 36 3.805 7.543 6.081 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.273 7.099 4.166 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.669 6.342 4.027 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.046 7.806 3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.606 9.130 5.475 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.412 10.112 4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.260 9.896 6.352 1.00 0.00 H new ATOM 582 N GLY A 37 2.285 9.718 2.997 1.00 0.00 N ATOM 583 CA GLY A 37 2.184 10.873 2.159 1.00 0.00 C ATOM 584 C GLY A 37 3.472 11.338 1.573 1.00 0.00 C ATOM 585 O GLY A 37 3.532 12.401 0.957 1.00 0.00 O ATOM 0 H GLY A 37 2.639 8.895 2.510 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.490 10.655 1.347 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.750 11.688 2.739 1.00 0.00 H new ATOM 589 N ASP A 38 4.540 10.533 1.715 1.00 0.00 N ATOM 590 CA ASP A 38 5.801 10.679 1.054 1.00 0.00 C ATOM 591 C ASP A 38 6.212 9.291 0.702 1.00 0.00 C ATOM 592 O ASP A 38 5.710 8.335 1.290 1.00 0.00 O ATOM 593 CB ASP A 38 6.885 11.220 2.003 1.00 0.00 C ATOM 594 CG ASP A 38 6.770 12.724 2.200 1.00 0.00 C ATOM 595 OD1 ASP A 38 6.958 13.467 1.200 1.00 0.00 O ATOM 596 OD2 ASP A 38 6.565 13.182 3.356 1.00 0.00 O ATOM 0 H ASP A 38 4.521 9.724 2.335 1.00 0.00 H new ATOM 0 HA ASP A 38 5.702 11.362 0.211 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.804 10.721 2.968 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.870 10.981 1.602 1.00 0.00 H new ATOM 601 N ASN A 39 7.200 9.101 -0.193 1.00 0.00 N ATOM 602 CA ASN A 39 8.058 7.961 -0.117 1.00 0.00 C ATOM 603 C ASN A 39 8.986 8.048 1.046 1.00 0.00 C ATOM 604 O ASN A 39 10.122 8.509 0.960 1.00 0.00 O ATOM 605 CB ASN A 39 8.813 7.683 -1.428 1.00 0.00 C ATOM 606 CG ASN A 39 9.699 8.833 -1.887 1.00 0.00 C ATOM 607 OD1 ASN A 39 9.458 10.015 -1.654 1.00 0.00 O ATOM 608 ND2 ASN A 39 10.791 8.472 -2.611 1.00 0.00 N ATOM 0 H ASN A 39 7.403 9.735 -0.966 1.00 0.00 H new ATOM 0 HA ASN A 39 7.406 7.102 0.042 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.428 6.793 -1.299 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.089 7.460 -2.212 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.424 9.187 -2.969 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.977 7.486 -2.796 1.00 0.00 H new ATOM 615 N ASP A 40 8.516 7.651 2.242 1.00 0.00 N ATOM 616 CA ASP A 40 9.117 8.084 3.465 1.00 0.00 C ATOM 617 C ASP A 40 10.324 7.308 3.866 1.00 0.00 C ATOM 618 O ASP A 40 11.380 7.885 4.124 1.00 0.00 O ATOM 619 CB ASP A 40 8.041 8.130 4.564 1.00 0.00 C ATOM 620 CG ASP A 40 8.499 9.011 5.717 1.00 0.00 C ATOM 621 OD1 ASP A 40 8.764 10.222 5.490 1.00 0.00 O ATOM 622 OD2 ASP A 40 8.613 8.504 6.864 1.00 0.00 O ATOM 0 H ASP A 40 7.717 7.028 2.362 1.00 0.00 H new ATOM 0 HA ASP A 40 9.509 9.088 3.303 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.108 8.514 4.152 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.838 7.122 4.926 1.00 0.00 H new ATOM 627 N LYS A 41 10.233 5.970 3.972 1.00 0.00 N ATOM 628 CA LYS A 41 11.269 5.150 4.520 1.00 0.00 C ATOM 629 C LYS A 41 12.330 4.760 3.551 1.00 0.00 C ATOM 630 O LYS A 41 12.342 3.639 3.044 1.00 0.00 O ATOM 631 CB LYS A 41 10.651 3.866 5.100 1.00 0.00 C ATOM 632 CG LYS A 41 9.412 4.068 5.974 1.00 0.00 C ATOM 633 CD LYS A 41 9.607 5.027 7.150 1.00 0.00 C ATOM 634 CE LYS A 41 8.271 5.465 7.752 1.00 0.00 C ATOM 635 NZ LYS A 41 8.492 6.559 8.724 1.00 0.00 N ATOM 0 H LYS A 41 9.415 5.443 3.667 1.00 0.00 H new ATOM 0 HA LYS A 41 11.750 5.759 5.285 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.388 3.205 4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.410 3.352 5.690 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.601 4.442 5.349 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.096 3.099 6.361 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.211 4.543 7.918 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.160 5.905 6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.598 5.799 6.962 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.790 4.620 8.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.668 6.636 9.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.341 6.355 9.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.622 7.456 8.214 1.00 0.00 H new ATOM 649 N GLU A 42 13.330 5.621 3.291 1.00 0.00 N ATOM 650 CA GLU A 42 14.318 5.446 2.272 1.00 0.00 C ATOM 651 C GLU A 42 15.443 4.544 2.651 1.00 0.00 C ATOM 652 O GLU A 42 16.628 4.805 2.450 1.00 0.00 O ATOM 653 CB GLU A 42 14.809 6.850 1.883 1.00 0.00 C ATOM 654 CG GLU A 42 15.595 6.986 0.577 1.00 0.00 C ATOM 655 CD GLU A 42 16.222 8.365 0.430 1.00 0.00 C ATOM 656 OE1 GLU A 42 16.614 8.965 1.466 1.00 0.00 O ATOM 657 OE2 GLU A 42 16.347 8.867 -0.719 1.00 0.00 O ATOM 0 H GLU A 42 13.456 6.484 3.820 1.00 0.00 H new ATOM 0 HA GLU A 42 13.863 4.934 1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.940 7.506 1.823 1.00 0.00 H new ATOM 0 HB3 GLU A 42 15.435 7.224 2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 42 16.377 6.227 0.544 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.931 6.798 -0.267 1.00 0.00 H new ATOM 664 N LYS A 43 15.084 3.386 3.234 1.00 0.00 N ATOM 665 CA LYS A 43 15.943 2.296 3.580 1.00 0.00 C ATOM 666 C LYS A 43 15.087 1.086 3.731 1.00 0.00 C ATOM 667 O LYS A 43 14.574 0.851 4.825 1.00 0.00 O ATOM 668 CB LYS A 43 16.812 2.566 4.820 1.00 0.00 C ATOM 669 CG LYS A 43 16.159 3.330 5.972 1.00 0.00 C ATOM 670 CD LYS A 43 17.131 3.496 7.142 1.00 0.00 C ATOM 671 CE LYS A 43 16.644 4.388 8.285 1.00 0.00 C ATOM 672 NZ LYS A 43 16.534 5.800 7.854 1.00 0.00 N ATOM 0 H LYS A 43 14.113 3.199 3.483 1.00 0.00 H new ATOM 0 HA LYS A 43 16.673 2.146 2.784 1.00 0.00 H new ATOM 0 HB2 LYS A 43 17.161 1.608 5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 43 17.694 3.122 4.501 1.00 0.00 H new ATOM 0 HG2 LYS A 43 15.833 4.310 5.624 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.269 2.798 6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 43 17.357 2.509 7.546 1.00 0.00 H new ATOM 0 HD3 LYS A 43 18.066 3.905 6.759 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.674 4.036 8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 43 17.334 4.315 9.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 16.267 6.391 8.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.449 6.121 7.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.808 5.881 7.114 1.00 0.00 H new ATOM 686 N PRO A 44 14.843 0.284 2.738 1.00 0.00 N ATOM 687 CA PRO A 44 14.036 -0.894 2.880 1.00 0.00 C ATOM 688 C PRO A 44 14.719 -1.972 3.648 1.00 0.00 C ATOM 689 O PRO A 44 15.910 -1.859 3.929 1.00 0.00 O ATOM 690 CB PRO A 44 13.703 -1.302 1.447 1.00 0.00 C ATOM 691 CG PRO A 44 14.864 -0.739 0.613 1.00 0.00 C ATOM 692 CD PRO A 44 15.124 0.588 1.343 1.00 0.00 C ATOM 0 HA PRO A 44 13.136 -0.703 3.465 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.631 -2.385 1.348 1.00 0.00 H new ATOM 0 HB3 PRO A 44 12.746 -0.888 1.128 1.00 0.00 H new ATOM 0 HG2 PRO A 44 15.735 -1.394 0.622 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.589 -0.590 -0.431 1.00 0.00 H new ATOM 0 HD2 PRO A 44 16.152 0.923 1.207 1.00 0.00 H new ATOM 0 HD3 PRO A 44 14.478 1.382 0.970 1.00 0.00 H new ATOM 700 N GLY A 45 13.944 -2.993 4.058 1.00 0.00 N ATOM 701 CA GLY A 45 14.147 -3.854 5.181 1.00 0.00 C ATOM 702 C GLY A 45 15.352 -4.717 5.345 1.00 0.00 C ATOM 703 O GLY A 45 16.435 -4.507 4.801 1.00 0.00 O ATOM 0 H GLY A 45 13.093 -3.237 3.551 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.099 -3.221 6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 45 13.285 -4.520 5.218 1.00 0.00 H new ATOM 707 N ILE A 46 15.215 -5.749 6.197 1.00 0.00 N ATOM 708 CA ILE A 46 16.323 -6.376 6.848 1.00 0.00 C ATOM 709 C ILE A 46 16.887 -7.519 6.079 1.00 0.00 C ATOM 710 O ILE A 46 18.101 -7.653 5.930 1.00 0.00 O ATOM 711 CB ILE A 46 16.001 -6.730 8.270 1.00 0.00 C ATOM 712 CG1 ILE A 46 14.887 -7.780 8.418 1.00 0.00 C ATOM 713 CG2 ILE A 46 15.629 -5.426 8.993 1.00 0.00 C ATOM 714 CD1 ILE A 46 14.505 -8.089 9.865 1.00 0.00 C ATOM 0 H ILE A 46 14.312 -6.157 6.439 1.00 0.00 H new ATOM 0 HA ILE A 46 17.123 -5.636 6.880 1.00 0.00 H new ATOM 0 HB ILE A 46 16.879 -7.199 8.715 1.00 0.00 H new ATOM 0 HG12 ILE A 46 14.001 -7.431 7.887 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.206 -8.703 7.933 1.00 0.00 H new ATOM 0 HG21 ILE A 46 15.387 -5.643 10.034 1.00 0.00 H new ATOM 0 HG22 ILE A 46 16.471 -4.735 8.952 1.00 0.00 H new ATOM 0 HG23 ILE A 46 14.765 -4.974 8.507 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.714 -8.838 9.880 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.376 -8.470 10.398 1.00 0.00 H new ATOM 0 HD13 ILE A 46 14.153 -7.179 10.351 1.00 0.00 H new ATOM 726 N PHE A 47 16.021 -8.387 5.525 1.00 0.00 N ATOM 727 CA PHE A 47 16.343 -9.483 4.665 1.00 0.00 C ATOM 728 C PHE A 47 16.374 -9.045 3.241 1.00 0.00 C ATOM 729 O PHE A 47 17.050 -9.638 2.403 1.00 0.00 O ATOM 730 CB PHE A 47 15.361 -10.649 4.867 1.00 0.00 C ATOM 731 CG PHE A 47 13.964 -10.202 5.127 1.00 0.00 C ATOM 732 CD1 PHE A 47 13.178 -9.671 4.131 1.00 0.00 C ATOM 733 CD2 PHE A 47 13.474 -10.236 6.411 1.00 0.00 C ATOM 734 CE1 PHE A 47 11.961 -9.101 4.421 1.00 0.00 C ATOM 735 CE2 PHE A 47 12.256 -9.675 6.715 1.00 0.00 C ATOM 736 CZ PHE A 47 11.510 -9.088 5.720 1.00 0.00 C ATOM 0 H PHE A 47 15.017 -8.315 5.693 1.00 0.00 H new ATOM 0 HA PHE A 47 17.339 -9.840 4.928 1.00 0.00 H new ATOM 0 HB2 PHE A 47 15.373 -11.284 3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 47 15.701 -11.261 5.702 1.00 0.00 H new ATOM 0 HD1 PHE A 47 13.521 -9.702 3.108 1.00 0.00 H new ATOM 0 HD2 PHE A 47 14.053 -10.709 7.190 1.00 0.00 H new ATOM 0 HE1 PHE A 47 11.363 -8.666 3.634 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.887 -9.695 7.730 1.00 0.00 H new ATOM 0 HZ PHE A 47 10.568 -8.616 5.959 1.00 0.00 H new ATOM 746 N ASN A 48 15.640 -7.955 2.952 1.00 0.00 N ATOM 747 CA ASN A 48 15.333 -7.322 1.707 1.00 0.00 C ATOM 748 C ASN A 48 15.746 -7.930 0.410 1.00 0.00 C ATOM 749 O ASN A 48 16.783 -7.609 -0.166 1.00 0.00 O ATOM 750 CB ASN A 48 15.524 -5.797 1.745 1.00 0.00 C ATOM 751 CG ASN A 48 16.968 -5.314 1.751 1.00 0.00 C ATOM 752 OD1 ASN A 48 17.308 -4.238 1.261 1.00 0.00 O ATOM 753 ND2 ASN A 48 17.873 -6.153 2.324 1.00 0.00 N ATOM 0 H ASN A 48 15.197 -7.444 3.715 1.00 0.00 H new ATOM 0 HA ASN A 48 14.272 -7.566 1.663 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.019 -5.364 0.882 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.026 -5.409 2.634 1.00 0.00 H new ATOM 0 HD21 ASN A 48 18.859 -5.895 2.354 1.00 0.00 H new ATOM 0 HD22 ASN A 48 17.565 -7.040 2.723 1.00 0.00 H new ATOM 760 N MET A 49 14.902 -8.823 -0.137 1.00 0.00 N ATOM 761 CA MET A 49 15.016 -9.294 -1.482 1.00 0.00 C ATOM 762 C MET A 49 14.047 -8.521 -2.309 1.00 0.00 C ATOM 763 O MET A 49 14.398 -7.802 -3.244 1.00 0.00 O ATOM 764 CB MET A 49 14.707 -10.798 -1.573 1.00 0.00 C ATOM 765 CG MET A 49 15.659 -11.669 -0.751 1.00 0.00 C ATOM 766 SD MET A 49 15.309 -13.445 -0.923 1.00 0.00 S ATOM 767 CE MET A 49 16.364 -13.951 0.467 1.00 0.00 C ATOM 0 H MET A 49 14.117 -9.229 0.372 1.00 0.00 H new ATOM 0 HA MET A 49 16.036 -9.152 -1.840 1.00 0.00 H new ATOM 0 HB2 MET A 49 13.685 -10.972 -1.235 1.00 0.00 H new ATOM 0 HB3 MET A 49 14.754 -11.108 -2.617 1.00 0.00 H new ATOM 0 HG2 MET A 49 16.685 -11.473 -1.063 1.00 0.00 H new ATOM 0 HG3 MET A 49 15.586 -11.388 0.300 1.00 0.00 H new ATOM 0 HE1 MET A 49 16.324 -15.035 0.578 1.00 0.00 H new ATOM 0 HE2 MET A 49 17.392 -13.644 0.274 1.00 0.00 H new ATOM 0 HE3 MET A 49 16.010 -13.479 1.383 1.00 0.00 H new ATOM 777 N LYS A 50 12.754 -8.624 -1.952 1.00 0.00 N ATOM 778 CA LYS A 50 11.650 -8.088 -2.684 1.00 0.00 C ATOM 779 C LYS A 50 11.381 -6.654 -2.380 1.00 0.00 C ATOM 780 O LYS A 50 10.901 -5.905 -3.229 1.00 0.00 O ATOM 781 CB LYS A 50 10.397 -8.919 -2.355 1.00 0.00 C ATOM 782 CG LYS A 50 10.547 -10.421 -2.608 1.00 0.00 C ATOM 783 CD LYS A 50 10.742 -10.803 -4.077 1.00 0.00 C ATOM 784 CE LYS A 50 10.904 -12.313 -4.261 1.00 0.00 C ATOM 785 NZ LYS A 50 10.729 -12.696 -5.680 1.00 0.00 N ATOM 0 H LYS A 50 12.464 -9.110 -1.103 1.00 0.00 H new ATOM 0 HA LYS A 50 11.903 -8.142 -3.743 1.00 0.00 H new ATOM 0 HB2 LYS A 50 10.138 -8.764 -1.308 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.562 -8.545 -2.948 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.397 -10.790 -2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.661 -10.930 -2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.887 -10.457 -4.658 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.622 -10.294 -4.470 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.891 -12.621 -3.916 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.173 -12.838 -3.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.844 -13.725 -5.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.778 -12.421 -5.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.442 -12.211 -6.261 1.00 0.00 H new ATOM 799 N ASP A 51 11.697 -6.200 -1.154 1.00 0.00 N ATOM 800 CA ASP A 51 11.407 -4.905 -0.622 1.00 0.00 C ATOM 801 C ASP A 51 12.054 -3.785 -1.362 1.00 0.00 C ATOM 802 O ASP A 51 11.566 -2.655 -1.385 1.00 0.00 O ATOM 803 CB ASP A 51 11.747 -4.815 0.875 1.00 0.00 C ATOM 804 CG ASP A 51 11.255 -6.080 1.566 1.00 0.00 C ATOM 805 OD1 ASP A 51 11.973 -7.111 1.477 1.00 0.00 O ATOM 806 OD2 ASP A 51 10.134 -6.089 2.142 1.00 0.00 O ATOM 0 H ASP A 51 12.194 -6.786 -0.483 1.00 0.00 H new ATOM 0 HA ASP A 51 10.332 -4.785 -0.753 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.823 -4.704 1.012 1.00 0.00 H new ATOM 0 HB3 ASP A 51 11.277 -3.936 1.317 1.00 0.00 H new ATOM 811 N ARG A 52 13.152 -4.086 -2.077 1.00 0.00 N ATOM 812 CA ARG A 52 13.825 -3.240 -3.013 1.00 0.00 C ATOM 813 C ARG A 52 12.937 -2.736 -4.099 1.00 0.00 C ATOM 814 O ARG A 52 13.007 -1.582 -4.517 1.00 0.00 O ATOM 815 CB ARG A 52 14.965 -4.035 -3.670 1.00 0.00 C ATOM 816 CG ARG A 52 15.976 -4.604 -2.673 1.00 0.00 C ATOM 817 CD ARG A 52 17.012 -5.515 -3.336 1.00 0.00 C ATOM 818 NE ARG A 52 17.835 -6.090 -2.235 1.00 0.00 N ATOM 819 CZ ARG A 52 19.047 -5.618 -1.824 1.00 0.00 C ATOM 820 NH1 ARG A 52 19.664 -4.550 -2.409 1.00 0.00 N ATOM 821 NH2 ARG A 52 19.672 -6.264 -0.797 1.00 0.00 N ATOM 0 H ARG A 52 13.605 -4.996 -1.992 1.00 0.00 H new ATOM 0 HA ARG A 52 14.188 -2.379 -2.453 1.00 0.00 H new ATOM 0 HB2 ARG A 52 14.538 -4.855 -4.248 1.00 0.00 H new ATOM 0 HB3 ARG A 52 15.488 -3.388 -4.374 1.00 0.00 H new ATOM 0 HG2 ARG A 52 16.488 -3.782 -2.173 1.00 0.00 H new ATOM 0 HG3 ARG A 52 15.445 -5.164 -1.903 1.00 0.00 H new ATOM 0 HD2 ARG A 52 16.525 -6.304 -3.909 1.00 0.00 H new ATOM 0 HD3 ARG A 52 17.634 -4.953 -4.033 1.00 0.00 H new ATOM 0 HE ARG A 52 17.461 -6.904 -1.748 1.00 0.00 H new ATOM 0 HH11 ARG A 52 19.218 -4.068 -3.189 1.00 0.00 H new ATOM 0 HH12 ARG A 52 20.571 -4.234 -2.066 1.00 0.00 H new ATOM 0 HH21 ARG A 52 19.232 -7.074 -0.361 1.00 0.00 H new ATOM 0 HH22 ARG A 52 20.579 -5.937 -0.466 1.00 0.00 H new ATOM 835 N TYR A 53 12.049 -3.613 -4.601 1.00 0.00 N ATOM 836 CA TYR A 53 11.182 -3.378 -5.713 1.00 0.00 C ATOM 837 C TYR A 53 9.881 -2.810 -5.263 1.00 0.00 C ATOM 838 O TYR A 53 9.315 -1.944 -5.931 1.00 0.00 O ATOM 839 CB TYR A 53 10.984 -4.663 -6.535 1.00 0.00 C ATOM 840 CG TYR A 53 12.323 -5.204 -6.900 1.00 0.00 C ATOM 841 CD1 TYR A 53 13.168 -4.490 -7.715 1.00 0.00 C ATOM 842 CD2 TYR A 53 12.773 -6.375 -6.336 1.00 0.00 C ATOM 843 CE1 TYR A 53 14.453 -4.923 -7.948 1.00 0.00 C ATOM 844 CE2 TYR A 53 14.059 -6.812 -6.555 1.00 0.00 C ATOM 845 CZ TYR A 53 14.900 -6.084 -7.362 1.00 0.00 C ATOM 846 OH TYR A 53 16.229 -6.505 -7.581 1.00 0.00 O ATOM 0 H TYR A 53 11.930 -4.545 -4.204 1.00 0.00 H new ATOM 0 HA TYR A 53 11.654 -2.641 -6.363 1.00 0.00 H new ATOM 0 HB2 TYR A 53 10.423 -5.398 -5.958 1.00 0.00 H new ATOM 0 HB3 TYR A 53 10.403 -4.452 -7.433 1.00 0.00 H new ATOM 0 HD1 TYR A 53 12.820 -3.579 -8.178 1.00 0.00 H new ATOM 0 HD2 TYR A 53 12.109 -6.958 -5.714 1.00 0.00 H new ATOM 0 HE1 TYR A 53 15.109 -4.353 -8.589 1.00 0.00 H new ATOM 0 HE2 TYR A 53 14.407 -7.725 -6.094 1.00 0.00 H new ATOM 0 HH TYR A 53 16.391 -7.342 -7.098 1.00 0.00 H new ATOM 856 N LYS A 54 9.394 -3.208 -4.073 1.00 0.00 N ATOM 857 CA LYS A 54 8.348 -2.563 -3.344 1.00 0.00 C ATOM 858 C LYS A 54 8.588 -1.104 -3.163 1.00 0.00 C ATOM 859 O LYS A 54 7.761 -0.262 -3.509 1.00 0.00 O ATOM 860 CB LYS A 54 8.186 -3.173 -1.942 1.00 0.00 C ATOM 861 CG LYS A 54 7.864 -4.668 -1.888 1.00 0.00 C ATOM 862 CD LYS A 54 6.444 -4.975 -2.368 1.00 0.00 C ATOM 863 CE LYS A 54 6.124 -6.467 -2.481 1.00 0.00 C ATOM 864 NZ LYS A 54 6.165 -7.130 -1.158 1.00 0.00 N ATOM 0 H LYS A 54 9.755 -4.032 -3.592 1.00 0.00 H new ATOM 0 HA LYS A 54 7.449 -2.713 -3.941 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.107 -3.001 -1.385 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.394 -2.633 -1.423 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.579 -5.214 -2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.985 -5.027 -0.866 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.734 -4.514 -1.681 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.294 -4.509 -3.342 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.137 -6.596 -2.924 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.839 -6.944 -3.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.944 -8.140 -1.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.115 -7.027 -0.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.465 -6.690 -0.527 1.00 0.00 H new ATOM 878 N TRP A 55 9.777 -0.735 -2.653 1.00 0.00 N ATOM 879 CA TRP A 55 10.140 0.627 -2.409 1.00 0.00 C ATOM 880 C TRP A 55 10.341 1.422 -3.653 1.00 0.00 C ATOM 881 O TRP A 55 10.009 2.604 -3.723 1.00 0.00 O ATOM 882 CB TRP A 55 11.355 0.680 -1.468 1.00 0.00 C ATOM 883 CG TRP A 55 11.308 1.913 -0.596 1.00 0.00 C ATOM 884 CD1 TRP A 55 10.554 2.121 0.522 1.00 0.00 C ATOM 885 CD2 TRP A 55 11.843 3.195 -0.973 1.00 0.00 C ATOM 886 NE1 TRP A 55 10.486 3.462 0.794 1.00 0.00 N ATOM 887 CE2 TRP A 55 11.305 4.133 -0.084 1.00 0.00 C ATOM 888 CE3 TRP A 55 12.679 3.576 -1.987 1.00 0.00 C ATOM 889 CZ2 TRP A 55 11.617 5.459 -0.202 1.00 0.00 C ATOM 890 CZ3 TRP A 55 12.987 4.912 -2.091 1.00 0.00 C ATOM 891 CH2 TRP A 55 12.468 5.835 -1.214 1.00 0.00 C ATOM 0 H TRP A 55 10.507 -1.403 -2.403 1.00 0.00 H new ATOM 0 HA TRP A 55 9.297 1.109 -1.915 1.00 0.00 H new ATOM 0 HB2 TRP A 55 11.375 -0.212 -0.842 1.00 0.00 H new ATOM 0 HB3 TRP A 55 12.274 0.679 -2.054 1.00 0.00 H new ATOM 0 HD1 TRP A 55 10.081 1.345 1.105 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.921 3.892 1.527 1.00 0.00 H new ATOM 0 HE3 TRP A 55 13.082 2.853 -2.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 11.207 6.189 0.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 13.650 5.243 -2.877 1.00 0.00 H new ATOM 0 HH2 TRP A 55 12.734 6.876 -1.322 1.00 0.00 H new ATOM 902 N GLU A 56 10.812 0.790 -4.743 1.00 0.00 N ATOM 903 CA GLU A 56 10.956 1.388 -6.035 1.00 0.00 C ATOM 904 C GLU A 56 9.641 1.717 -6.656 1.00 0.00 C ATOM 905 O GLU A 56 9.476 2.753 -7.296 1.00 0.00 O ATOM 906 CB GLU A 56 11.742 0.438 -6.953 1.00 0.00 C ATOM 907 CG GLU A 56 11.989 0.971 -8.367 1.00 0.00 C ATOM 908 CD GLU A 56 12.960 0.086 -9.135 1.00 0.00 C ATOM 909 OE1 GLU A 56 14.101 -0.092 -8.632 1.00 0.00 O ATOM 910 OE2 GLU A 56 12.601 -0.418 -10.233 1.00 0.00 O ATOM 0 H GLU A 56 11.107 -0.186 -4.722 1.00 0.00 H new ATOM 0 HA GLU A 56 11.498 2.325 -5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.704 0.220 -6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.201 -0.506 -7.025 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.043 1.028 -8.906 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.386 1.985 -8.311 1.00 0.00 H new ATOM 917 N ALA A 57 8.629 0.860 -6.428 1.00 0.00 N ATOM 918 CA ALA A 57 7.286 1.052 -6.881 1.00 0.00 C ATOM 919 C ALA A 57 6.606 2.181 -6.184 1.00 0.00 C ATOM 920 O ALA A 57 5.736 2.855 -6.733 1.00 0.00 O ATOM 921 CB ALA A 57 6.475 -0.242 -6.694 1.00 0.00 C ATOM 0 H ALA A 57 8.753 -0.006 -5.904 1.00 0.00 H new ATOM 0 HA ALA A 57 7.338 1.307 -7.940 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.454 -0.085 -7.042 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.935 -1.046 -7.269 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.461 -0.513 -5.638 1.00 0.00 H new ATOM 927 N TRP A 58 7.028 2.451 -4.936 1.00 0.00 N ATOM 928 CA TRP A 58 6.551 3.492 -4.082 1.00 0.00 C ATOM 929 C TRP A 58 7.167 4.797 -4.453 1.00 0.00 C ATOM 930 O TRP A 58 6.484 5.813 -4.570 1.00 0.00 O ATOM 931 CB TRP A 58 6.828 3.116 -2.616 1.00 0.00 C ATOM 932 CG TRP A 58 6.191 3.989 -1.561 1.00 0.00 C ATOM 933 CD1 TRP A 58 5.198 4.917 -1.689 1.00 0.00 C ATOM 934 CD2 TRP A 58 6.546 3.965 -0.166 1.00 0.00 C ATOM 935 NE1 TRP A 58 4.959 5.529 -0.488 1.00 0.00 N ATOM 936 CE2 TRP A 58 5.802 4.980 0.449 1.00 0.00 C ATOM 937 CE3 TRP A 58 7.402 3.173 0.550 1.00 0.00 C ATOM 938 CZ2 TRP A 58 5.958 5.222 1.786 1.00 0.00 C ATOM 939 CZ3 TRP A 58 7.513 3.407 1.900 1.00 0.00 C ATOM 940 CH2 TRP A 58 6.817 4.426 2.507 1.00 0.00 C ATOM 0 H TRP A 58 7.760 1.897 -4.492 1.00 0.00 H new ATOM 0 HA TRP A 58 5.474 3.605 -4.205 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.492 2.091 -2.458 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.907 3.126 -2.460 1.00 0.00 H new ATOM 0 HD1 TRP A 58 4.675 5.137 -2.608 1.00 0.00 H new ATOM 0 HE1 TRP A 58 4.274 6.265 -0.318 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.971 2.390 0.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 5.417 6.023 2.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.159 2.779 2.495 1.00 0.00 H new ATOM 0 HH2 TRP A 58 6.947 4.604 3.564 1.00 0.00 H new ATOM 951 N GLU A 59 8.486 4.809 -4.717 1.00 0.00 N ATOM 952 CA GLU A 59 9.258 5.919 -5.182 1.00 0.00 C ATOM 953 C GLU A 59 8.751 6.515 -6.450 1.00 0.00 C ATOM 954 O GLU A 59 8.817 7.729 -6.635 1.00 0.00 O ATOM 955 CB GLU A 59 10.738 5.546 -5.367 1.00 0.00 C ATOM 956 CG GLU A 59 11.659 6.763 -5.483 1.00 0.00 C ATOM 957 CD GLU A 59 12.971 6.465 -6.195 1.00 0.00 C ATOM 958 OE1 GLU A 59 13.803 5.682 -5.660 1.00 0.00 O ATOM 959 OE2 GLU A 59 13.191 7.039 -7.294 1.00 0.00 O ATOM 0 H GLU A 59 9.057 3.973 -4.595 1.00 0.00 H new ATOM 0 HA GLU A 59 9.158 6.670 -4.398 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.060 4.935 -4.524 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.842 4.934 -6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.136 7.555 -6.019 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.875 7.142 -4.484 1.00 0.00 H new ATOM 966 N ASN A 60 8.139 5.734 -7.360 1.00 0.00 N ATOM 967 CA ASN A 60 7.465 6.262 -8.505 1.00 0.00 C ATOM 968 C ASN A 60 6.460 7.316 -8.190 1.00 0.00 C ATOM 969 O ASN A 60 6.319 8.280 -8.941 1.00 0.00 O ATOM 970 CB ASN A 60 6.759 5.173 -9.331 1.00 0.00 C ATOM 971 CG ASN A 60 7.758 4.243 -10.004 1.00 0.00 C ATOM 972 OD1 ASN A 60 8.758 4.658 -10.588 1.00 0.00 O ATOM 973 ND2 ASN A 60 7.461 2.916 -9.973 1.00 0.00 N ATOM 0 H ASN A 60 8.112 4.716 -7.298 1.00 0.00 H new ATOM 0 HA ASN A 60 8.271 6.712 -9.084 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.101 4.594 -8.683 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.130 5.641 -10.088 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.072 2.246 -10.439 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.627 2.591 -9.483 1.00 0.00 H new ATOM 980 N LEU A 61 5.752 7.204 -7.052 1.00 0.00 N ATOM 981 CA LEU A 61 4.778 8.167 -6.641 1.00 0.00 C ATOM 982 C LEU A 61 5.161 8.904 -5.404 1.00 0.00 C ATOM 983 O LEU A 61 4.320 9.372 -4.638 1.00 0.00 O ATOM 984 CB LEU A 61 3.376 7.547 -6.517 1.00 0.00 C ATOM 985 CG LEU A 61 2.562 7.657 -7.817 1.00 0.00 C ATOM 986 CD1 LEU A 61 3.083 6.726 -8.925 1.00 0.00 C ATOM 987 CD2 LEU A 61 1.067 7.397 -7.568 1.00 0.00 C ATOM 0 H LEU A 61 5.859 6.425 -6.402 1.00 0.00 H new ATOM 0 HA LEU A 61 4.744 8.910 -7.437 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.471 6.497 -6.240 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.834 8.042 -5.711 1.00 0.00 H new ATOM 0 HG LEU A 61 2.688 8.682 -8.165 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.471 6.846 -9.819 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.117 6.980 -9.157 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.031 5.692 -8.586 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.521 7.483 -8.508 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.935 6.394 -7.162 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.684 8.130 -6.858 1.00 0.00 H new ATOM 999 N LYS A 62 6.476 9.114 -5.210 1.00 0.00 N ATOM 1000 CA LYS A 62 7.140 9.892 -4.211 1.00 0.00 C ATOM 1001 C LYS A 62 6.488 11.052 -3.541 1.00 0.00 C ATOM 1002 O LYS A 62 6.522 11.128 -2.313 1.00 0.00 O ATOM 1003 CB LYS A 62 8.495 10.347 -4.779 1.00 0.00 C ATOM 1004 CG LYS A 62 8.421 11.089 -6.115 1.00 0.00 C ATOM 1005 CD LYS A 62 9.591 10.784 -7.053 1.00 0.00 C ATOM 1006 CE LYS A 62 9.171 10.844 -8.524 1.00 0.00 C ATOM 1007 NZ LYS A 62 10.268 10.378 -9.402 1.00 0.00 N ATOM 0 H LYS A 62 7.155 8.681 -5.836 1.00 0.00 H new ATOM 0 HA LYS A 62 7.168 9.183 -3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.979 10.994 -4.048 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.133 9.472 -4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.488 10.827 -6.615 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.390 12.162 -5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.395 11.498 -6.875 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.988 9.794 -6.829 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.287 10.226 -8.680 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.897 11.866 -8.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.962 10.427 -10.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.102 10.984 -9.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.511 9.396 -9.162 1.00 0.00 H new ATOM 1021 N GLY A 63 5.904 12.006 -4.289 1.00 0.00 N ATOM 1022 CA GLY A 63 5.462 13.265 -3.774 1.00 0.00 C ATOM 1023 C GLY A 63 4.052 13.617 -4.104 1.00 0.00 C ATOM 1024 O GLY A 63 3.471 14.497 -3.470 1.00 0.00 O ATOM 0 H GLY A 63 5.734 11.896 -5.289 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.575 13.258 -2.690 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.116 14.048 -4.158 1.00 0.00 H new ATOM 1028 N LYS A 64 3.429 12.968 -5.103 1.00 0.00 N ATOM 1029 CA LYS A 64 2.064 13.234 -5.436 1.00 0.00 C ATOM 1030 C LYS A 64 1.145 12.256 -4.790 1.00 0.00 C ATOM 1031 O LYS A 64 -0.079 12.365 -4.854 1.00 0.00 O ATOM 1032 CB LYS A 64 1.842 13.222 -6.958 1.00 0.00 C ATOM 1033 CG LYS A 64 1.720 11.831 -7.582 1.00 0.00 C ATOM 1034 CD LYS A 64 1.480 11.939 -9.089 1.00 0.00 C ATOM 1035 CE LYS A 64 1.452 10.592 -9.813 1.00 0.00 C ATOM 1036 NZ LYS A 64 1.314 10.802 -11.272 1.00 0.00 N ATOM 0 H LYS A 64 3.873 12.256 -5.683 1.00 0.00 H new ATOM 0 HA LYS A 64 1.838 14.231 -5.058 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.936 13.785 -7.182 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.670 13.747 -7.435 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.629 11.260 -7.393 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.899 11.287 -7.115 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.533 12.451 -9.260 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.262 12.559 -9.527 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.367 10.038 -9.602 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.622 9.989 -9.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.296 9.881 -11.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.429 11.313 -11.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.120 11.360 -11.620 1.00 0.00 H new ATOM 1050 N SER A 65 1.771 11.269 -4.123 1.00 0.00 N ATOM 1051 CA SER A 65 1.255 10.162 -3.382 1.00 0.00 C ATOM 1052 C SER A 65 -0.098 10.318 -2.777 1.00 0.00 C ATOM 1053 O SER A 65 -1.062 9.704 -3.230 1.00 0.00 O ATOM 1054 CB SER A 65 2.240 9.848 -2.243 1.00 0.00 C ATOM 1055 OG SER A 65 2.633 11.025 -1.552 1.00 0.00 O ATOM 0 H SER A 65 2.791 11.252 -4.106 1.00 0.00 H new ATOM 0 HA SER A 65 1.145 9.368 -4.120 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.778 9.152 -1.543 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.122 9.353 -2.650 1.00 0.00 H new ATOM 0 HG SER A 65 3.540 10.910 -1.200 1.00 0.00 H new ATOM 1061 N GLN A 66 -0.218 11.163 -1.736 1.00 0.00 N ATOM 1062 CA GLN A 66 -1.351 11.234 -0.868 1.00 0.00 C ATOM 1063 C GLN A 66 -2.669 11.426 -1.537 1.00 0.00 C ATOM 1064 O GLN A 66 -3.676 10.832 -1.153 1.00 0.00 O ATOM 1065 CB GLN A 66 -1.104 12.340 0.172 1.00 0.00 C ATOM 1066 CG GLN A 66 -1.489 11.809 1.553 1.00 0.00 C ATOM 1067 CD GLN A 66 -1.420 12.858 2.653 1.00 0.00 C ATOM 1068 OE1 GLN A 66 -2.076 13.897 2.587 1.00 0.00 O ATOM 1069 NE2 GLN A 66 -0.645 12.556 3.728 1.00 0.00 N ATOM 0 H GLN A 66 0.513 11.830 -1.489 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.436 10.253 -0.401 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.057 12.641 0.162 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.693 13.225 -0.070 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.502 11.408 1.509 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.829 10.981 1.811 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.115 11.684 3.746 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.593 13.201 4.517 1.00 0.00 H new ATOM 1078 N GLU A 67 -2.669 12.252 -2.597 1.00 0.00 N ATOM 1079 CA GLU A 67 -3.825 12.612 -3.359 1.00 0.00 C ATOM 1080 C GLU A 67 -4.046 11.723 -4.533 1.00 0.00 C ATOM 1081 O GLU A 67 -5.168 11.662 -5.033 1.00 0.00 O ATOM 1082 CB GLU A 67 -3.736 14.074 -3.829 1.00 0.00 C ATOM 1083 CG GLU A 67 -3.538 15.094 -2.706 1.00 0.00 C ATOM 1084 CD GLU A 67 -3.667 16.525 -3.209 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -2.969 16.908 -4.185 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -4.472 17.301 -2.627 1.00 0.00 O ATOM 0 H GLU A 67 -1.816 12.693 -2.942 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.678 12.491 -2.692 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.910 14.165 -4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.648 14.323 -4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.274 14.917 -1.921 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.554 14.954 -2.258 1.00 0.00 H new ATOM 1093 N ASP A 68 -3.047 10.990 -5.057 1.00 0.00 N ATOM 1094 CA ASP A 68 -3.282 10.107 -6.157 1.00 0.00 C ATOM 1095 C ASP A 68 -3.623 8.744 -5.659 1.00 0.00 C ATOM 1096 O ASP A 68 -4.534 8.099 -6.178 1.00 0.00 O ATOM 1097 CB ASP A 68 -2.081 10.076 -7.116 1.00 0.00 C ATOM 1098 CG ASP A 68 -2.358 10.900 -8.366 1.00 0.00 C ATOM 1099 OD1 ASP A 68 -2.723 12.100 -8.248 1.00 0.00 O ATOM 1100 OD2 ASP A 68 -2.233 10.351 -9.493 1.00 0.00 O ATOM 0 H ASP A 68 -2.084 11.008 -4.722 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.132 10.483 -6.726 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.197 10.463 -6.610 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.862 9.046 -7.397 1.00 0.00 H new ATOM 1105 N ALA A 69 -2.949 8.295 -4.586 1.00 0.00 N ATOM 1106 CA ALA A 69 -3.201 7.087 -3.863 1.00 0.00 C ATOM 1107 C ALA A 69 -4.641 6.877 -3.541 1.00 0.00 C ATOM 1108 O ALA A 69 -5.263 5.935 -4.027 1.00 0.00 O ATOM 1109 CB ALA A 69 -2.399 7.079 -2.551 1.00 0.00 C ATOM 0 H ALA A 69 -2.166 8.819 -4.194 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.889 6.274 -4.519 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.598 6.155 -2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.334 7.146 -2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.695 7.931 -1.938 1.00 0.00 H new ATOM 1115 N GLU A 70 -5.276 7.767 -2.756 1.00 0.00 N ATOM 1116 CA GLU A 70 -6.667 7.684 -2.438 1.00 0.00 C ATOM 1117 C GLU A 70 -7.657 7.504 -3.538 1.00 0.00 C ATOM 1118 O GLU A 70 -8.679 6.849 -3.340 1.00 0.00 O ATOM 1119 CB GLU A 70 -7.052 8.870 -1.539 1.00 0.00 C ATOM 1120 CG GLU A 70 -7.014 10.232 -2.238 1.00 0.00 C ATOM 1121 CD GLU A 70 -8.283 11.029 -1.972 1.00 0.00 C ATOM 1122 OE1 GLU A 70 -9.335 10.677 -2.571 1.00 0.00 O ATOM 1123 OE2 GLU A 70 -8.270 11.960 -1.122 1.00 0.00 O ATOM 0 H GLU A 70 -4.807 8.567 -2.331 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.747 6.723 -1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.056 8.703 -1.149 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.377 8.895 -0.683 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.149 10.797 -1.891 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.891 10.088 -3.311 1.00 0.00 H new ATOM 1130 N LYS A 71 -7.438 8.068 -4.739 1.00 0.00 N ATOM 1131 CA LYS A 71 -8.296 7.986 -5.880 1.00 0.00 C ATOM 1132 C LYS A 71 -8.039 6.812 -6.761 1.00 0.00 C ATOM 1133 O LYS A 71 -8.937 6.323 -7.445 1.00 0.00 O ATOM 1134 CB LYS A 71 -8.196 9.278 -6.710 1.00 0.00 C ATOM 1135 CG LYS A 71 -8.876 10.470 -6.035 1.00 0.00 C ATOM 1136 CD LYS A 71 -8.288 11.820 -6.451 1.00 0.00 C ATOM 1137 CE LYS A 71 -8.469 12.191 -7.924 1.00 0.00 C ATOM 1138 NZ LYS A 71 -7.757 13.451 -8.236 1.00 0.00 N ATOM 0 H LYS A 71 -6.601 8.621 -4.925 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.302 7.855 -5.481 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.146 9.514 -6.881 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.649 9.113 -7.687 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.939 10.456 -6.274 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.791 10.363 -4.954 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.743 12.599 -5.840 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.222 11.818 -6.223 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.091 11.387 -8.556 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.530 12.301 -8.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.892 13.686 -9.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.136 14.219 -7.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.742 13.334 -8.041 1.00 0.00 H new ATOM 1152 N GLU A 72 -6.797 6.299 -6.819 1.00 0.00 N ATOM 1153 CA GLU A 72 -6.500 5.102 -7.542 1.00 0.00 C ATOM 1154 C GLU A 72 -6.676 3.885 -6.702 1.00 0.00 C ATOM 1155 O GLU A 72 -6.988 2.815 -7.224 1.00 0.00 O ATOM 1156 CB GLU A 72 -5.086 5.195 -8.139 1.00 0.00 C ATOM 1157 CG GLU A 72 -5.012 6.131 -9.348 1.00 0.00 C ATOM 1158 CD GLU A 72 -5.502 5.470 -10.628 1.00 0.00 C ATOM 1159 OE1 GLU A 72 -4.722 4.682 -11.228 1.00 0.00 O ATOM 1160 OE2 GLU A 72 -6.647 5.744 -11.077 1.00 0.00 O ATOM 0 H GLU A 72 -5.990 6.720 -6.359 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.213 5.005 -8.361 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.395 5.545 -7.372 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.756 4.199 -8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.609 7.021 -9.151 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.982 6.462 -9.485 1.00 0.00 H new ATOM 1167 N TYR A 73 -6.534 3.970 -5.367 1.00 0.00 N ATOM 1168 CA TYR A 73 -6.567 2.836 -4.499 1.00 0.00 C ATOM 1169 C TYR A 73 -7.911 2.191 -4.458 1.00 0.00 C ATOM 1170 O TYR A 73 -8.006 0.977 -4.631 1.00 0.00 O ATOM 1171 CB TYR A 73 -6.131 3.185 -3.065 1.00 0.00 C ATOM 1172 CG TYR A 73 -5.796 1.975 -2.262 1.00 0.00 C ATOM 1173 CD1 TYR A 73 -4.675 1.240 -2.569 1.00 0.00 C ATOM 1174 CD2 TYR A 73 -6.570 1.604 -1.188 1.00 0.00 C ATOM 1175 CE1 TYR A 73 -4.264 0.204 -1.764 1.00 0.00 C ATOM 1176 CE2 TYR A 73 -6.179 0.548 -0.399 1.00 0.00 C ATOM 1177 CZ TYR A 73 -5.019 -0.140 -0.668 1.00 0.00 C ATOM 1178 OH TYR A 73 -4.661 -1.238 0.142 1.00 0.00 O ATOM 0 H TYR A 73 -6.392 4.854 -4.878 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.853 2.129 -4.921 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.264 3.844 -3.102 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.930 3.737 -2.569 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.108 1.480 -3.457 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.481 2.140 -0.965 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.356 -0.335 -1.991 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.790 0.255 0.442 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.064 -0.936 0.858 1.00 0.00 H new ATOM 1188 N ILE A 74 -8.989 2.981 -4.307 1.00 0.00 N ATOM 1189 CA ILE A 74 -10.345 2.581 -4.526 1.00 0.00 C ATOM 1190 C ILE A 74 -10.564 1.682 -5.694 1.00 0.00 C ATOM 1191 O ILE A 74 -11.148 0.607 -5.565 1.00 0.00 O ATOM 1192 CB ILE A 74 -11.264 3.765 -4.582 1.00 0.00 C ATOM 1193 CG1 ILE A 74 -12.713 3.368 -4.912 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -10.764 4.866 -5.534 1.00 0.00 C ATOM 1195 CD1 ILE A 74 -13.747 4.484 -4.773 1.00 0.00 C ATOM 0 H ILE A 74 -8.909 3.955 -4.015 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.590 1.974 -3.655 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.258 4.185 -3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -12.745 2.992 -5.935 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -13.003 2.544 -4.260 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -11.470 5.696 -5.533 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.788 5.219 -5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -10.680 4.463 -6.543 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -14.734 4.099 -5.028 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -13.754 4.848 -3.745 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -13.491 5.303 -5.446 1.00 0.00 H new ATOM 1207 N ALA A 75 -10.051 2.068 -6.875 1.00 0.00 N ATOM 1208 CA ALA A 75 -10.255 1.401 -8.124 1.00 0.00 C ATOM 1209 C ALA A 75 -9.490 0.136 -8.311 1.00 0.00 C ATOM 1210 O ALA A 75 -9.919 -0.760 -9.038 1.00 0.00 O ATOM 1211 CB ALA A 75 -9.866 2.416 -9.212 1.00 0.00 C ATOM 0 H ALA A 75 -9.459 2.894 -6.963 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.297 1.083 -8.170 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.000 1.965 -10.195 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.499 3.299 -9.129 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.823 2.704 -9.084 1.00 0.00 H new ATOM 1217 N LEU A 76 -8.335 -0.011 -7.638 1.00 0.00 N ATOM 1218 CA LEU A 76 -7.605 -1.238 -7.565 1.00 0.00 C ATOM 1219 C LEU A 76 -8.268 -2.179 -6.618 1.00 0.00 C ATOM 1220 O LEU A 76 -8.588 -3.320 -6.946 1.00 0.00 O ATOM 1221 CB LEU A 76 -6.187 -1.019 -7.008 1.00 0.00 C ATOM 1222 CG LEU A 76 -5.283 -0.100 -7.847 1.00 0.00 C ATOM 1223 CD1 LEU A 76 -4.072 0.273 -6.975 1.00 0.00 C ATOM 1224 CD2 LEU A 76 -4.846 -0.748 -9.171 1.00 0.00 C ATOM 0 H LEU A 76 -7.893 0.753 -7.126 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.568 -1.634 -8.580 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.270 -0.601 -6.005 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.700 -1.989 -6.910 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.839 0.792 -8.136 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.406 0.927 -7.538 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.415 0.790 -6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.536 -0.632 -6.690 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.210 -0.056 -9.723 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.291 -1.663 -8.963 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.727 -0.986 -9.768 1.00 0.00 H new ATOM 1236 N VAL A 77 -8.520 -1.707 -5.385 1.00 0.00 N ATOM 1237 CA VAL A 77 -8.991 -2.461 -4.265 1.00 0.00 C ATOM 1238 C VAL A 77 -10.394 -2.917 -4.475 1.00 0.00 C ATOM 1239 O VAL A 77 -10.789 -3.951 -3.939 1.00 0.00 O ATOM 1240 CB VAL A 77 -8.766 -1.703 -2.990 1.00 0.00 C ATOM 1241 CG1 VAL A 77 -9.522 -2.299 -1.791 1.00 0.00 C ATOM 1242 CG2 VAL A 77 -7.257 -1.785 -2.709 1.00 0.00 C ATOM 0 H VAL A 77 -8.384 -0.723 -5.154 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.408 -3.377 -4.171 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.132 -0.684 -3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.317 -1.705 -0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.593 -2.290 -1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.193 -3.325 -1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.029 -1.249 -1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.963 -2.829 -2.603 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.708 -1.335 -3.536 1.00 0.00 H new ATOM 1252 N ASP A 78 -11.192 -2.274 -5.346 1.00 0.00 N ATOM 1253 CA ASP A 78 -12.455 -2.826 -5.726 1.00 0.00 C ATOM 1254 C ASP A 78 -12.347 -4.119 -6.459 1.00 0.00 C ATOM 1255 O ASP A 78 -13.168 -5.019 -6.292 1.00 0.00 O ATOM 1256 CB ASP A 78 -13.216 -1.802 -6.585 1.00 0.00 C ATOM 1257 CG ASP A 78 -14.716 -2.056 -6.604 1.00 0.00 C ATOM 1258 OD1 ASP A 78 -15.361 -1.909 -5.533 1.00 0.00 O ATOM 1259 OD2 ASP A 78 -15.264 -2.398 -7.687 1.00 0.00 O ATOM 0 H ASP A 78 -10.966 -1.381 -5.783 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.996 -3.042 -4.805 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.026 -0.799 -6.203 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.833 -1.832 -7.605 1.00 0.00 H new ATOM 1264 N GLN A 79 -11.299 -4.272 -7.288 1.00 0.00 N ATOM 1265 CA GLN A 79 -11.008 -5.450 -8.045 1.00 0.00 C ATOM 1266 C GLN A 79 -10.265 -6.471 -7.255 1.00 0.00 C ATOM 1267 O GLN A 79 -10.242 -7.649 -7.606 1.00 0.00 O ATOM 1268 CB GLN A 79 -10.255 -5.097 -9.339 1.00 0.00 C ATOM 1269 CG GLN A 79 -10.984 -4.038 -10.168 1.00 0.00 C ATOM 1270 CD GLN A 79 -10.449 -3.850 -11.581 1.00 0.00 C ATOM 1271 OE1 GLN A 79 -11.204 -3.617 -12.524 1.00 0.00 O ATOM 1272 NE2 GLN A 79 -9.106 -3.917 -11.778 1.00 0.00 N ATOM 0 H GLN A 79 -10.615 -3.530 -7.438 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.965 -5.898 -8.311 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.258 -4.735 -9.089 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.126 -5.998 -9.938 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -12.039 -4.307 -10.227 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.927 -3.084 -9.644 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.484 -4.110 -10.993 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.720 -3.774 -12.711 1.00 0.00 H new ATOM 1281 N LEU A 80 -9.673 -6.085 -6.111 1.00 0.00 N ATOM 1282 CA LEU A 80 -9.222 -6.976 -5.087 1.00 0.00 C ATOM 1283 C LEU A 80 -10.415 -7.509 -4.371 1.00 0.00 C ATOM 1284 O LEU A 80 -10.717 -8.699 -4.456 1.00 0.00 O ATOM 1285 CB LEU A 80 -8.270 -6.325 -4.069 1.00 0.00 C ATOM 1286 CG LEU A 80 -6.798 -6.260 -4.507 1.00 0.00 C ATOM 1287 CD1 LEU A 80 -6.488 -5.200 -5.578 1.00 0.00 C ATOM 1288 CD2 LEU A 80 -5.897 -6.055 -3.276 1.00 0.00 C ATOM 0 H LEU A 80 -9.500 -5.104 -5.889 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.652 -7.766 -5.576 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.618 -5.312 -3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.331 -6.878 -3.132 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.588 -7.217 -4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.426 -5.229 -5.822 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.073 -5.407 -6.474 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.745 -4.212 -5.197 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.855 -6.010 -3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.167 -5.123 -2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.031 -6.887 -2.585 1.00 0.00 H new ATOM 1300 N ILE A 81 -11.182 -6.657 -3.668 1.00 0.00 N ATOM 1301 CA ILE A 81 -12.241 -7.003 -2.772 1.00 0.00 C ATOM 1302 C ILE A 81 -13.317 -7.825 -3.395 1.00 0.00 C ATOM 1303 O ILE A 81 -13.770 -8.803 -2.804 1.00 0.00 O ATOM 1304 CB ILE A 81 -12.800 -5.747 -2.175 1.00 0.00 C ATOM 1305 CG1 ILE A 81 -11.844 -5.171 -1.118 1.00 0.00 C ATOM 1306 CG2 ILE A 81 -14.238 -5.840 -1.634 1.00 0.00 C ATOM 1307 CD1 ILE A 81 -11.996 -5.782 0.275 1.00 0.00 C ATOM 0 H ILE A 81 -11.050 -5.648 -3.732 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.815 -7.638 -1.995 1.00 0.00 H new ATOM 0 HB ILE A 81 -12.880 -5.059 -3.017 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -10.818 -5.319 -1.456 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -12.005 -4.095 -1.049 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -14.537 -4.874 -1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -14.914 -6.117 -2.443 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -14.283 -6.594 -0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.283 -5.317 0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -13.009 -5.612 0.638 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -11.804 -6.854 0.225 1.00 0.00 H new ATOM 1319 N ALA A 82 -13.717 -7.512 -4.641 1.00 0.00 N ATOM 1320 CA ALA A 82 -14.680 -8.269 -5.377 1.00 0.00 C ATOM 1321 C ALA A 82 -14.329 -9.701 -5.592 1.00 0.00 C ATOM 1322 O ALA A 82 -15.206 -10.563 -5.640 1.00 0.00 O ATOM 1323 CB ALA A 82 -14.934 -7.612 -6.743 1.00 0.00 C ATOM 0 H ALA A 82 -13.358 -6.706 -5.152 1.00 0.00 H new ATOM 0 HA ALA A 82 -15.575 -8.264 -4.754 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.669 -8.196 -7.297 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.311 -6.600 -6.596 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.002 -7.573 -7.307 1.00 0.00 H new ATOM 1329 N LYS A 83 -13.029 -10.029 -5.685 1.00 0.00 N ATOM 1330 CA LYS A 83 -12.572 -11.383 -5.682 1.00 0.00 C ATOM 1331 C LYS A 83 -12.377 -11.828 -4.273 1.00 0.00 C ATOM 1332 O LYS A 83 -12.769 -12.929 -3.885 1.00 0.00 O ATOM 1333 CB LYS A 83 -11.238 -11.507 -6.437 1.00 0.00 C ATOM 1334 CG LYS A 83 -11.288 -11.131 -7.919 1.00 0.00 C ATOM 1335 CD LYS A 83 -9.896 -11.212 -8.550 1.00 0.00 C ATOM 1336 CE LYS A 83 -9.800 -10.387 -9.835 1.00 0.00 C ATOM 1337 NZ LYS A 83 -8.425 -10.365 -10.380 1.00 0.00 N ATOM 0 H LYS A 83 -12.281 -9.340 -5.764 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.316 -12.006 -6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.500 -10.875 -5.943 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.885 -12.535 -6.352 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.970 -11.799 -8.445 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.683 -10.121 -8.029 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.153 -10.858 -7.835 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.657 -12.253 -8.769 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.479 -10.799 -10.582 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.127 -9.366 -9.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.405 -9.795 -11.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.780 -9.948 -9.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.121 -11.336 -10.595 1.00 0.00 H new ATOM 1351 N TYR A 84 -11.750 -10.985 -3.434 1.00 0.00 N ATOM 1352 CA TYR A 84 -11.006 -11.424 -2.294 1.00 0.00 C ATOM 1353 C TYR A 84 -11.758 -11.436 -1.007 1.00 0.00 C ATOM 1354 O TYR A 84 -11.394 -12.209 -0.123 1.00 0.00 O ATOM 1355 CB TYR A 84 -9.749 -10.559 -2.097 1.00 0.00 C ATOM 1356 CG TYR A 84 -8.707 -10.648 -3.158 1.00 0.00 C ATOM 1357 CD1 TYR A 84 -8.656 -11.583 -4.164 1.00 0.00 C ATOM 1358 CD2 TYR A 84 -7.695 -9.719 -3.084 1.00 0.00 C ATOM 1359 CE1 TYR A 84 -7.653 -11.564 -5.104 1.00 0.00 C ATOM 1360 CE2 TYR A 84 -6.656 -9.717 -3.984 1.00 0.00 C ATOM 1361 CZ TYR A 84 -6.646 -10.632 -5.009 1.00 0.00 C ATOM 1362 OH TYR A 84 -5.598 -10.570 -5.953 1.00 0.00 O ATOM 0 H TYR A 84 -11.760 -9.972 -3.551 1.00 0.00 H new ATOM 0 HA TYR A 84 -10.756 -12.459 -2.528 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.061 -9.518 -2.012 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -9.292 -10.833 -1.146 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.418 -12.347 -4.217 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.717 -8.975 -2.302 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.656 -12.278 -5.914 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.853 -9.001 -3.886 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.126 -9.716 -5.862 1.00 0.00 H new ATOM 1372 N SER A 85 -12.794 -10.595 -0.840 1.00 0.00 N ATOM 1373 CA SER A 85 -13.567 -10.420 0.350 1.00 0.00 C ATOM 1374 C SER A 85 -13.906 -11.665 1.094 1.00 0.00 C ATOM 1375 O SER A 85 -13.615 -11.797 2.282 1.00 0.00 O ATOM 1376 CB SER A 85 -14.845 -9.604 0.100 1.00 0.00 C ATOM 1377 OG SER A 85 -15.417 -9.116 1.305 1.00 0.00 O ATOM 0 H SER A 85 -13.115 -9.991 -1.597 1.00 0.00 H new ATOM 0 HA SER A 85 -12.890 -9.862 0.997 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.615 -8.765 -0.556 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.574 -10.225 -0.420 1.00 0.00 H new ATOM 0 HG SER A 85 -16.226 -8.602 1.099 1.00 0.00 H new ATOM 1383 N SER A 86 -14.528 -12.633 0.396 1.00 0.00 N ATOM 1384 CA SER A 86 -14.693 -13.984 0.832 1.00 0.00 C ATOM 1385 C SER A 86 -15.149 -14.783 -0.381 1.00 0.00 C ATOM 1386 O SER A 86 -14.574 -15.873 -0.650 1.00 0.00 O ATOM 1387 CB SER A 86 -15.740 -14.192 1.940 1.00 0.00 C ATOM 1388 OG SER A 86 -15.221 -13.799 3.202 1.00 0.00 O ATOM 1389 OXT SER A 86 -16.091 -14.338 -1.088 1.00 0.00 O ATOM 0 H SER A 86 -14.938 -12.462 -0.522 1.00 0.00 H new ATOM 0 HA SER A 86 -13.738 -14.299 1.253 1.00 0.00 H new ATOM 0 HB2 SER A 86 -16.636 -13.614 1.714 1.00 0.00 H new ATOM 0 HB3 SER A 86 -16.037 -15.240 1.974 1.00 0.00 H new ATOM 0 HG SER A 86 -14.501 -13.147 3.071 1.00 0.00 H new TER 1395 SER A 86