USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 750 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 32 SER OG : rot -161:sc= 0.0821 USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 55 GLN : amide:sc= -0.242 X(o=-0.16,f=-0.2) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.683 USER MOD Single : A 23 LYS NZ :NH3+ -173:sc= 0.422 (180deg=0.398) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.654 X(o=-0.65,f=-0.64) USER MOD Single : A 31 SER OG : rot -42:sc= 1.07 USER MOD Single : A 35 HIS : no HD1:sc= -0.519 X(o=-0.52,f=-0.7) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -119:sc= 0.355 (180deg=-0.0532) USER MOD Single : A 40 MET CE :methyl -160:sc= -0.135 (180deg=-0.751) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.0956 X(o=-0.096,f=0.0083) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 152:sc= 0.00159 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 72:sc= 0.492 USER MOD Single : A 52 CYS SG : rot 86:sc= -1.28 USER MOD Single : A 53 GLN : amide:sc= -0.47 K(o=-0.47,f=-1.6!) USER MOD Single : A 59 MET CE :methyl 160:sc= -2.21! (180deg=-3.05!) USER MOD Single : A 60 ASN : amide:sc= -4.28! C(o=-4.3!,f=-8.8!) USER MOD Single : A 61 SER OG : rot 160:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.0178 F(o=-2!,f=-0.018) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -5.79! C(o=-9.1!,f=-5.8!) USER MOD Single : A 76 THR OG1 : rot -6:sc= -1.68! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -138:sc= -5.16! (180deg=-9.69!) USER MOD Single : A 91 TYR OH : rot 180:sc= -0.114 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : B2706 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : B2716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B2717 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0455) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 20 16.575 -0.478 -3.573 1.00 0.96 N ATOM 2 CA GLU A 20 16.147 -0.636 -2.159 1.00 0.70 C ATOM 3 C GLU A 20 14.688 -0.233 -1.976 1.00 0.59 C ATOM 4 O GLU A 20 13.823 -1.083 -1.765 1.00 0.67 O ATOM 5 CB GLU A 20 17.037 0.204 -1.238 1.00 1.25 C ATOM 6 CG GLU A 20 18.394 -0.425 -0.967 1.00 1.46 C ATOM 7 CD GLU A 20 18.282 -1.771 -0.279 1.00 1.47 C ATOM 8 OE1 GLU A 20 18.045 -1.794 0.947 1.00 2.00 O ATOM 9 OE2 GLU A 20 18.429 -2.804 -0.967 1.00 1.24 O ATOM 0 HA GLU A 20 16.248 -1.689 -1.895 1.00 0.70 H new ATOM 0 HB2 GLU A 20 17.184 1.187 -1.685 1.00 1.25 H new ATOM 0 HB3 GLU A 20 16.521 0.359 -0.290 1.00 1.25 H new ATOM 0 HG2 GLU A 20 18.930 -0.545 -1.909 1.00 1.46 H new ATOM 0 HG3 GLU A 20 18.986 0.248 -0.347 1.00 1.46 H new ATOM 16 N TYR A 21 14.420 1.067 -2.063 1.00 0.54 N ATOM 17 CA TYR A 21 13.067 1.583 -1.899 1.00 0.47 C ATOM 18 C TYR A 21 12.382 1.794 -3.243 1.00 0.46 C ATOM 19 O TYR A 21 12.994 2.277 -4.197 1.00 0.54 O ATOM 20 CB TYR A 21 13.088 2.902 -1.124 1.00 0.47 C ATOM 21 CG TYR A 21 13.224 2.730 0.370 1.00 0.51 C ATOM 22 CD1 TYR A 21 12.176 2.225 1.125 1.00 0.49 C ATOM 23 CD2 TYR A 21 14.397 3.080 1.027 1.00 0.68 C ATOM 24 CE1 TYR A 21 12.288 2.072 2.492 1.00 0.59 C ATOM 25 CE2 TYR A 21 14.518 2.930 2.394 1.00 0.79 C ATOM 26 CZ TYR A 21 13.461 2.426 3.121 1.00 0.72 C ATOM 27 OH TYR A 21 13.574 2.276 4.480 1.00 0.86 O ATOM 0 H TYR A 21 15.124 1.782 -2.246 1.00 0.54 H new ATOM 0 HA TYR A 21 12.501 0.840 -1.338 1.00 0.47 H new ATOM 0 HB2 TYR A 21 13.915 3.512 -1.487 1.00 0.47 H new ATOM 0 HB3 TYR A 21 12.170 3.451 -1.335 1.00 0.47 H new ATOM 0 HD1 TYR A 21 11.255 1.946 0.634 1.00 0.49 H new ATOM 0 HD2 TYR A 21 15.227 3.475 0.460 1.00 0.68 H new ATOM 0 HE1 TYR A 21 11.462 1.677 3.065 1.00 0.59 H new ATOM 0 HE2 TYR A 21 15.436 3.206 2.891 1.00 0.79 H new ATOM 0 HH TYR A 21 14.463 2.570 4.769 1.00 0.86 H new ATOM 37 N ILE A 22 11.109 1.423 -3.307 1.00 0.45 N ATOM 38 CA ILE A 22 10.320 1.581 -4.521 1.00 0.47 C ATOM 39 C ILE A 22 9.194 2.585 -4.293 1.00 0.46 C ATOM 40 O ILE A 22 8.698 2.728 -3.173 1.00 0.50 O ATOM 41 CB ILE A 22 9.722 0.240 -5.001 1.00 0.55 C ATOM 42 CG1 ILE A 22 8.887 -0.408 -3.893 1.00 0.57 C ATOM 43 CG2 ILE A 22 10.830 -0.700 -5.457 1.00 0.62 C ATOM 44 CD1 ILE A 22 8.052 -1.578 -4.369 1.00 0.68 C ATOM 0 H ILE A 22 10.599 1.008 -2.527 1.00 0.45 H new ATOM 0 HA ILE A 22 10.993 1.948 -5.296 1.00 0.47 H new ATOM 0 HB ILE A 22 9.066 0.439 -5.848 1.00 0.55 H new ATOM 0 HG12 ILE A 22 9.552 -0.747 -3.099 1.00 0.57 H new ATOM 0 HG13 ILE A 22 8.229 0.344 -3.458 1.00 0.57 H new ATOM 0 HG21 ILE A 22 10.394 -1.641 -5.792 1.00 0.62 H new ATOM 0 HG22 ILE A 22 11.381 -0.242 -6.279 1.00 0.62 H new ATOM 0 HG23 ILE A 22 11.510 -0.891 -4.627 1.00 0.62 H new ATOM 0 HD11 ILE A 22 7.487 -1.987 -3.531 1.00 0.68 H new ATOM 0 HD12 ILE A 22 7.361 -1.241 -5.142 1.00 0.68 H new ATOM 0 HD13 ILE A 22 8.705 -2.349 -4.777 1.00 0.68 H new ATOM 56 N LYS A 23 8.800 3.286 -5.350 1.00 0.47 N ATOM 57 CA LYS A 23 7.737 4.278 -5.248 1.00 0.49 C ATOM 58 C LYS A 23 6.373 3.651 -5.518 1.00 0.42 C ATOM 59 O LYS A 23 6.049 3.310 -6.654 1.00 0.51 O ATOM 60 CB LYS A 23 7.982 5.432 -6.226 1.00 0.64 C ATOM 61 CG LYS A 23 7.060 6.624 -6.004 1.00 0.75 C ATOM 62 CD LYS A 23 7.118 7.610 -7.162 1.00 0.95 C ATOM 63 CE LYS A 23 8.503 8.221 -7.315 1.00 1.11 C ATOM 64 NZ LYS A 23 8.545 9.234 -8.407 1.00 1.37 N ATOM 0 H LYS A 23 9.199 3.186 -6.283 1.00 0.47 H new ATOM 0 HA LYS A 23 7.743 4.667 -4.230 1.00 0.49 H new ATOM 0 HB2 LYS A 23 9.017 5.762 -6.134 1.00 0.64 H new ATOM 0 HB3 LYS A 23 7.852 5.068 -7.245 1.00 0.64 H new ATOM 0 HG2 LYS A 23 6.036 6.272 -5.878 1.00 0.75 H new ATOM 0 HG3 LYS A 23 7.339 7.132 -5.081 1.00 0.75 H new ATOM 0 HD2 LYS A 23 6.841 7.102 -8.086 1.00 0.95 H new ATOM 0 HD3 LYS A 23 6.387 8.402 -7.002 1.00 0.95 H new ATOM 0 HE2 LYS A 23 8.800 8.687 -6.376 1.00 1.11 H new ATOM 0 HE3 LYS A 23 9.227 7.433 -7.523 1.00 1.11 H new ATOM 0 HZ1 LYS A 23 9.527 9.540 -8.559 1.00 1.37 H new ATOM 0 HZ2 LYS A 23 8.173 8.815 -9.283 1.00 1.37 H new ATOM 0 HZ3 LYS A 23 7.964 10.055 -8.142 1.00 1.37 H new ATOM 78 N LEU A 24 5.585 3.494 -4.462 1.00 0.35 N ATOM 79 CA LEU A 24 4.250 2.923 -4.581 1.00 0.33 C ATOM 80 C LEU A 24 3.197 4.011 -4.435 1.00 0.33 C ATOM 81 O LEU A 24 2.982 4.540 -3.343 1.00 0.34 O ATOM 82 CB LEU A 24 4.034 1.836 -3.524 1.00 0.35 C ATOM 83 CG LEU A 24 4.865 0.564 -3.716 1.00 0.39 C ATOM 84 CD1 LEU A 24 4.666 -0.382 -2.543 1.00 0.49 C ATOM 85 CD2 LEU A 24 4.498 -0.124 -5.023 1.00 0.42 C ATOM 0 H LEU A 24 5.848 3.755 -3.512 1.00 0.35 H new ATOM 0 HA LEU A 24 4.155 2.471 -5.568 1.00 0.33 H new ATOM 0 HB2 LEU A 24 4.262 2.255 -2.544 1.00 0.35 H new ATOM 0 HB3 LEU A 24 2.979 1.563 -3.517 1.00 0.35 H new ATOM 0 HG LEU A 24 5.917 0.845 -3.760 1.00 0.39 H new ATOM 0 HD11 LEU A 24 5.263 -1.281 -2.695 1.00 0.49 H new ATOM 0 HD12 LEU A 24 4.979 0.110 -1.622 1.00 0.49 H new ATOM 0 HD13 LEU A 24 3.613 -0.654 -2.470 1.00 0.49 H new ATOM 0 HD21 LEU A 24 5.099 -1.025 -5.141 1.00 0.42 H new ATOM 0 HD22 LEU A 24 3.441 -0.392 -5.009 1.00 0.42 H new ATOM 0 HD23 LEU A 24 4.690 0.552 -5.856 1.00 0.42 H new ATOM 97 N LYS A 25 2.549 4.351 -5.543 1.00 0.37 N ATOM 98 CA LYS A 25 1.522 5.383 -5.538 1.00 0.41 C ATOM 99 C LYS A 25 0.177 4.824 -5.095 1.00 0.42 C ATOM 100 O LYS A 25 -0.543 4.208 -5.882 1.00 0.46 O ATOM 101 CB LYS A 25 1.391 6.017 -6.923 1.00 0.48 C ATOM 102 CG LYS A 25 2.481 7.026 -7.233 1.00 0.50 C ATOM 103 CD LYS A 25 2.242 7.701 -8.572 1.00 0.64 C ATOM 104 CE LYS A 25 3.176 8.883 -8.771 1.00 0.67 C ATOM 105 NZ LYS A 25 2.974 9.531 -10.095 1.00 0.85 N ATOM 0 H LYS A 25 2.717 3.927 -6.455 1.00 0.37 H new ATOM 0 HA LYS A 25 1.827 6.147 -4.823 1.00 0.41 H new ATOM 0 HB2 LYS A 25 1.410 5.230 -7.677 1.00 0.48 H new ATOM 0 HB3 LYS A 25 0.421 6.508 -6.999 1.00 0.48 H new ATOM 0 HG2 LYS A 25 2.518 7.778 -6.445 1.00 0.50 H new ATOM 0 HG3 LYS A 25 3.450 6.527 -7.243 1.00 0.50 H new ATOM 0 HD2 LYS A 25 2.389 6.980 -9.376 1.00 0.64 H new ATOM 0 HD3 LYS A 25 1.207 8.039 -8.632 1.00 0.64 H new ATOM 0 HE2 LYS A 25 3.010 9.614 -7.980 1.00 0.67 H new ATOM 0 HE3 LYS A 25 4.210 8.548 -8.684 1.00 0.67 H new ATOM 0 HZ1 LYS A 25 3.629 10.333 -10.193 1.00 0.85 H new ATOM 0 HZ2 LYS A 25 3.156 8.840 -10.851 1.00 0.85 H new ATOM 0 HZ3 LYS A 25 1.995 9.874 -10.168 1.00 0.85 H new ATOM 119 N VAL A 26 -0.148 5.036 -3.825 1.00 0.42 N ATOM 120 CA VAL A 26 -1.409 4.565 -3.271 1.00 0.45 C ATOM 121 C VAL A 26 -2.480 5.643 -3.421 1.00 0.49 C ATOM 122 O VAL A 26 -2.544 6.592 -2.637 1.00 0.49 O ATOM 123 CB VAL A 26 -1.264 4.167 -1.786 1.00 0.44 C ATOM 124 CG1 VAL A 26 -2.579 3.640 -1.237 1.00 0.48 C ATOM 125 CG2 VAL A 26 -0.162 3.131 -1.619 1.00 0.43 C ATOM 0 H VAL A 26 0.446 5.532 -3.160 1.00 0.42 H new ATOM 0 HA VAL A 26 -1.707 3.676 -3.827 1.00 0.45 H new ATOM 0 HB VAL A 26 -0.992 5.057 -1.219 1.00 0.44 H new ATOM 0 HG11 VAL A 26 -2.452 3.366 -0.190 1.00 0.48 H new ATOM 0 HG12 VAL A 26 -3.344 4.412 -1.320 1.00 0.48 H new ATOM 0 HG13 VAL A 26 -2.886 2.763 -1.807 1.00 0.48 H new ATOM 0 HG21 VAL A 26 -0.073 2.861 -0.567 1.00 0.43 H new ATOM 0 HG22 VAL A 26 -0.406 2.243 -2.202 1.00 0.43 H new ATOM 0 HG23 VAL A 26 0.783 3.546 -1.969 1.00 0.43 H new ATOM 135 N ILE A 27 -3.305 5.492 -4.450 1.00 0.54 N ATOM 136 CA ILE A 27 -4.361 6.446 -4.740 1.00 0.59 C ATOM 137 C ILE A 27 -5.714 5.931 -4.283 1.00 0.63 C ATOM 138 O ILE A 27 -6.184 4.892 -4.746 1.00 0.67 O ATOM 139 CB ILE A 27 -4.432 6.745 -6.241 1.00 0.65 C ATOM 140 CG1 ILE A 27 -3.184 7.514 -6.672 1.00 0.64 C ATOM 141 CG2 ILE A 27 -5.680 7.544 -6.554 1.00 0.72 C ATOM 142 CD1 ILE A 27 -3.167 7.885 -8.141 1.00 0.72 C ATOM 0 H ILE A 27 -3.259 4.709 -5.102 1.00 0.54 H new ATOM 0 HA ILE A 27 -4.121 7.359 -4.194 1.00 0.59 H new ATOM 0 HB ILE A 27 -4.476 5.806 -6.793 1.00 0.65 H new ATOM 0 HG12 ILE A 27 -3.107 8.424 -6.077 1.00 0.64 H new ATOM 0 HG13 ILE A 27 -2.303 6.912 -6.449 1.00 0.64 H new ATOM 0 HG21 ILE A 27 -5.721 7.751 -7.623 1.00 0.72 H new ATOM 0 HG22 ILE A 27 -6.561 6.973 -6.261 1.00 0.72 H new ATOM 0 HG23 ILE A 27 -5.658 8.484 -6.003 1.00 0.72 H new ATOM 0 HD11 ILE A 27 -2.250 8.428 -8.368 1.00 0.72 H new ATOM 0 HD12 ILE A 27 -3.212 6.979 -8.746 1.00 0.72 H new ATOM 0 HD13 ILE A 27 -4.027 8.515 -8.367 1.00 0.72 H new ATOM 154 N GLY A 28 -6.336 6.673 -3.372 1.00 0.64 N ATOM 155 CA GLY A 28 -7.637 6.289 -2.855 1.00 0.69 C ATOM 156 C GLY A 28 -8.771 6.635 -3.799 1.00 0.77 C ATOM 157 O GLY A 28 -8.542 6.921 -4.974 1.00 0.79 O ATOM 0 H GLY A 28 -5.960 7.537 -2.981 1.00 0.64 H new ATOM 0 HA2 GLY A 28 -7.644 5.216 -2.664 1.00 0.69 H new ATOM 0 HA3 GLY A 28 -7.803 6.784 -1.898 1.00 0.69 H new ATOM 161 N GLN A 29 -9.999 6.618 -3.286 1.00 0.82 N ATOM 162 CA GLN A 29 -11.156 6.927 -4.115 1.00 0.90 C ATOM 163 C GLN A 29 -11.866 8.191 -3.651 1.00 0.92 C ATOM 164 O GLN A 29 -13.091 8.234 -3.562 1.00 0.99 O ATOM 165 CB GLN A 29 -12.130 5.747 -4.113 1.00 0.96 C ATOM 166 CG GLN A 29 -12.825 5.570 -5.444 1.00 1.04 C ATOM 167 CD GLN A 29 -11.840 5.588 -6.597 1.00 1.02 C ATOM 168 OE1 GLN A 29 -11.029 4.672 -6.753 1.00 1.00 O ATOM 169 NE2 GLN A 29 -11.891 6.645 -7.402 1.00 1.05 N ATOM 0 H GLN A 29 -10.215 6.397 -2.314 1.00 0.82 H new ATOM 0 HA GLN A 29 -10.798 7.104 -5.129 1.00 0.90 H new ATOM 0 HB2 GLN A 29 -11.589 4.834 -3.864 1.00 0.96 H new ATOM 0 HB3 GLN A 29 -12.877 5.897 -3.334 1.00 0.96 H new ATOM 0 HG2 GLN A 29 -13.371 4.627 -5.447 1.00 1.04 H new ATOM 0 HG3 GLN A 29 -13.559 6.364 -5.580 1.00 1.04 H new ATOM 0 HE21 GLN A 29 -12.579 7.380 -7.236 1.00 1.05 H new ATOM 0 HE22 GLN A 29 -11.243 6.721 -8.186 1.00 1.05 H new ATOM 178 N ASP A 30 -11.076 9.218 -3.365 1.00 0.88 N ATOM 179 CA ASP A 30 -11.595 10.500 -2.907 1.00 0.92 C ATOM 180 C ASP A 30 -10.510 11.569 -2.984 1.00 0.89 C ATOM 181 O ASP A 30 -10.522 12.547 -2.231 1.00 0.91 O ATOM 182 CB ASP A 30 -12.131 10.372 -1.472 1.00 0.92 C ATOM 183 CG ASP A 30 -11.166 9.656 -0.540 1.00 0.86 C ATOM 184 OD1 ASP A 30 -10.040 9.333 -0.976 1.00 0.81 O ATOM 185 OD2 ASP A 30 -11.536 9.415 0.631 1.00 0.88 O ATOM 0 H ASP A 30 -10.060 9.186 -3.444 1.00 0.88 H new ATOM 0 HA ASP A 30 -12.417 10.800 -3.557 1.00 0.92 H new ATOM 0 HB2 ASP A 30 -12.338 11.367 -1.077 1.00 0.92 H new ATOM 0 HB3 ASP A 30 -13.078 9.832 -1.490 1.00 0.92 H new ATOM 190 N SER A 31 -9.580 11.364 -3.917 1.00 0.87 N ATOM 191 CA SER A 31 -8.457 12.268 -4.155 1.00 0.86 C ATOM 192 C SER A 31 -7.390 12.207 -3.053 1.00 0.80 C ATOM 193 O SER A 31 -6.510 13.070 -2.969 1.00 0.81 O ATOM 194 CB SER A 31 -8.959 13.704 -4.329 1.00 0.93 C ATOM 195 OG SER A 31 -7.892 14.580 -4.648 1.00 0.95 O ATOM 0 H SER A 31 -9.587 10.554 -4.537 1.00 0.87 H new ATOM 0 HA SER A 31 -7.976 11.933 -5.074 1.00 0.86 H new ATOM 0 HB2 SER A 31 -9.710 13.737 -5.118 1.00 0.93 H new ATOM 0 HB3 SER A 31 -9.445 14.037 -3.412 1.00 0.93 H new ATOM 0 HG SER A 31 -7.113 14.362 -4.095 1.00 0.95 H new ATOM 201 N SER A 32 -7.477 11.176 -2.215 1.00 0.75 N ATOM 202 CA SER A 32 -6.524 10.974 -1.134 1.00 0.71 C ATOM 203 C SER A 32 -5.319 10.211 -1.667 1.00 0.65 C ATOM 204 O SER A 32 -5.377 8.994 -1.828 1.00 0.62 O ATOM 205 CB SER A 32 -7.174 10.175 -0.005 1.00 0.71 C ATOM 206 OG SER A 32 -6.221 9.813 0.979 1.00 0.69 O ATOM 0 H SER A 32 -8.205 10.464 -2.268 1.00 0.75 H new ATOM 0 HA SER A 32 -6.208 11.943 -0.746 1.00 0.71 H new ATOM 0 HB2 SER A 32 -7.967 10.766 0.453 1.00 0.71 H new ATOM 0 HB3 SER A 32 -7.640 9.277 -0.412 1.00 0.71 H new ATOM 0 HG SER A 32 -6.570 9.070 1.515 1.00 0.69 H new ATOM 212 N GLU A 33 -4.239 10.921 -1.985 1.00 0.64 N ATOM 213 CA GLU A 33 -3.047 10.251 -2.493 1.00 0.59 C ATOM 214 C GLU A 33 -1.933 10.312 -1.459 1.00 0.55 C ATOM 215 O GLU A 33 -1.849 11.266 -0.692 1.00 0.69 O ATOM 216 CB GLU A 33 -2.592 10.874 -3.815 1.00 0.64 C ATOM 217 CG GLU A 33 -1.493 10.085 -4.517 1.00 0.56 C ATOM 218 CD GLU A 33 -1.078 10.701 -5.839 1.00 0.64 C ATOM 219 OE1 GLU A 33 -1.944 10.839 -6.728 1.00 0.84 O ATOM 220 OE2 GLU A 33 0.113 11.046 -5.986 1.00 1.12 O ATOM 0 H GLU A 33 -4.165 11.935 -1.903 1.00 0.64 H new ATOM 0 HA GLU A 33 -3.292 9.206 -2.682 1.00 0.59 H new ATOM 0 HB2 GLU A 33 -3.450 10.957 -4.482 1.00 0.64 H new ATOM 0 HB3 GLU A 33 -2.236 11.887 -3.626 1.00 0.64 H new ATOM 0 HG2 GLU A 33 -0.624 10.021 -3.863 1.00 0.56 H new ATOM 0 HG3 GLU A 33 -1.838 9.065 -4.689 1.00 0.56 H new ATOM 227 N ILE A 34 -1.104 9.271 -1.413 1.00 0.45 N ATOM 228 CA ILE A 34 0.011 9.222 -0.470 1.00 0.41 C ATOM 229 C ILE A 34 1.216 8.519 -1.100 1.00 0.37 C ATOM 230 O ILE A 34 1.061 7.480 -1.744 1.00 0.34 O ATOM 231 CB ILE A 34 -0.362 8.486 0.846 1.00 0.42 C ATOM 232 CG1 ILE A 34 -1.617 9.093 1.486 1.00 0.48 C ATOM 233 CG2 ILE A 34 0.802 8.531 1.828 1.00 0.49 C ATOM 234 CD1 ILE A 34 -2.021 8.433 2.789 1.00 0.57 C ATOM 0 H ILE A 34 -1.183 8.452 -2.016 1.00 0.45 H new ATOM 0 HA ILE A 34 0.259 10.256 -0.229 1.00 0.41 H new ATOM 0 HB ILE A 34 -0.577 7.447 0.598 1.00 0.42 H new ATOM 0 HG12 ILE A 34 -1.445 10.154 1.666 1.00 0.48 H new ATOM 0 HG13 ILE A 34 -2.445 9.019 0.781 1.00 0.48 H new ATOM 0 HG21 ILE A 34 0.525 8.011 2.745 1.00 0.49 H new ATOM 0 HG22 ILE A 34 1.671 8.046 1.384 1.00 0.49 H new ATOM 0 HG23 ILE A 34 1.044 9.569 2.058 1.00 0.49 H new ATOM 0 HD11 ILE A 34 -2.916 8.917 3.180 1.00 0.57 H new ATOM 0 HD12 ILE A 34 -2.227 7.377 2.614 1.00 0.57 H new ATOM 0 HD13 ILE A 34 -1.211 8.530 3.512 1.00 0.57 H new ATOM 246 N HIS A 35 2.417 9.082 -0.918 1.00 0.41 N ATOM 247 CA HIS A 35 3.620 8.457 -1.464 1.00 0.40 C ATOM 248 C HIS A 35 4.188 7.451 -0.469 1.00 0.40 C ATOM 249 O HIS A 35 4.358 7.758 0.712 1.00 0.58 O ATOM 250 CB HIS A 35 4.678 9.506 -1.813 1.00 0.54 C ATOM 251 CG HIS A 35 4.713 9.855 -3.268 1.00 0.61 C ATOM 252 ND1 HIS A 35 4.995 11.114 -3.751 1.00 0.82 N ATOM 253 CD2 HIS A 35 4.506 9.075 -4.360 1.00 0.77 C ATOM 254 CE1 HIS A 35 4.953 11.060 -5.089 1.00 0.90 C ATOM 255 NE2 HIS A 35 4.660 9.844 -5.508 1.00 0.91 N ATOM 0 H HIS A 35 2.577 9.951 -0.408 1.00 0.41 H new ATOM 0 HA HIS A 35 3.343 7.936 -2.381 1.00 0.40 H new ATOM 0 HB2 HIS A 35 4.487 10.410 -1.235 1.00 0.54 H new ATOM 0 HB3 HIS A 35 5.658 9.136 -1.512 1.00 0.54 H new ATOM 0 HD2 HIS A 35 4.261 8.023 -4.340 1.00 0.77 H new ATOM 0 HE1 HIS A 35 5.135 11.902 -5.740 1.00 0.90 H new ATOM 0 HE2 HIS A 35 4.566 9.532 -6.475 1.00 0.91 H new ATOM 263 N PHE A 36 4.476 6.248 -0.962 1.00 0.39 N ATOM 264 CA PHE A 36 4.989 5.170 -0.120 1.00 0.48 C ATOM 265 C PHE A 36 6.376 4.696 -0.551 1.00 0.45 C ATOM 266 O PHE A 36 6.635 4.501 -1.738 1.00 0.54 O ATOM 267 CB PHE A 36 4.039 3.968 -0.188 1.00 0.65 C ATOM 268 CG PHE A 36 2.887 4.013 0.773 1.00 0.66 C ATOM 269 CD1 PHE A 36 1.910 4.992 0.672 1.00 0.73 C ATOM 270 CD2 PHE A 36 2.775 3.062 1.772 1.00 1.39 C ATOM 271 CE1 PHE A 36 0.847 5.019 1.552 1.00 0.80 C ATOM 272 CE2 PHE A 36 1.713 3.084 2.655 1.00 1.54 C ATOM 273 CZ PHE A 36 0.750 4.065 2.545 1.00 0.99 C ATOM 0 H PHE A 36 4.362 5.995 -1.944 1.00 0.39 H new ATOM 0 HA PHE A 36 5.059 5.569 0.892 1.00 0.48 H new ATOM 0 HB2 PHE A 36 3.644 3.893 -1.201 1.00 0.65 H new ATOM 0 HB3 PHE A 36 4.613 3.060 -0.002 1.00 0.65 H new ATOM 0 HD1 PHE A 36 1.982 5.741 -0.103 1.00 0.73 H new ATOM 0 HD2 PHE A 36 3.528 2.293 1.862 1.00 1.39 H new ATOM 0 HE1 PHE A 36 0.092 5.786 1.464 1.00 0.80 H new ATOM 0 HE2 PHE A 36 1.637 2.335 3.429 1.00 1.54 H new ATOM 0 HZ PHE A 36 -0.080 4.087 3.236 1.00 0.99 H new ATOM 283 N LYS A 37 7.264 4.516 0.426 1.00 0.43 N ATOM 284 CA LYS A 37 8.599 3.994 0.162 1.00 0.42 C ATOM 285 C LYS A 37 8.760 2.683 0.925 1.00 0.39 C ATOM 286 O LYS A 37 8.874 2.680 2.151 1.00 0.38 O ATOM 287 CB LYS A 37 9.678 4.994 0.584 1.00 0.47 C ATOM 288 CG LYS A 37 9.839 6.162 -0.374 1.00 0.56 C ATOM 289 CD LYS A 37 10.970 7.080 0.059 1.00 0.65 C ATOM 290 CE LYS A 37 11.176 8.215 -0.929 1.00 0.80 C ATOM 291 NZ LYS A 37 12.294 9.110 -0.519 1.00 0.94 N ATOM 0 H LYS A 37 7.080 4.725 1.407 1.00 0.43 H new ATOM 0 HA LYS A 37 8.717 3.824 -0.908 1.00 0.42 H new ATOM 0 HB2 LYS A 37 9.436 5.379 1.575 1.00 0.47 H new ATOM 0 HB3 LYS A 37 10.631 4.472 0.669 1.00 0.47 H new ATOM 0 HG2 LYS A 37 10.037 5.787 -1.378 1.00 0.56 H new ATOM 0 HG3 LYS A 37 8.908 6.727 -0.422 1.00 0.56 H new ATOM 0 HD2 LYS A 37 10.750 7.490 1.045 1.00 0.65 H new ATOM 0 HD3 LYS A 37 11.891 6.505 0.151 1.00 0.65 H new ATOM 0 HE2 LYS A 37 11.383 7.804 -1.917 1.00 0.80 H new ATOM 0 HE3 LYS A 37 10.257 8.796 -1.012 1.00 0.80 H new ATOM 0 HZ1 LYS A 37 12.403 9.872 -1.218 1.00 0.94 H new ATOM 0 HZ2 LYS A 37 12.085 9.523 0.412 1.00 0.94 H new ATOM 0 HZ3 LYS A 37 13.176 8.561 -0.464 1.00 0.94 H new ATOM 305 N VAL A 38 8.765 1.570 0.197 1.00 0.42 N ATOM 306 CA VAL A 38 8.872 0.252 0.817 1.00 0.44 C ATOM 307 C VAL A 38 10.081 -0.518 0.295 1.00 0.46 C ATOM 308 O VAL A 38 10.400 -0.459 -0.893 1.00 0.52 O ATOM 309 CB VAL A 38 7.592 -0.585 0.560 1.00 0.49 C ATOM 310 CG1 VAL A 38 7.645 -1.917 1.293 1.00 0.60 C ATOM 311 CG2 VAL A 38 6.347 0.191 0.963 1.00 0.53 C ATOM 0 H VAL A 38 8.696 1.554 -0.821 1.00 0.42 H new ATOM 0 HA VAL A 38 8.994 0.415 1.888 1.00 0.44 H new ATOM 0 HB VAL A 38 7.543 -0.789 -0.510 1.00 0.49 H new ATOM 0 HG11 VAL A 38 6.733 -2.479 1.092 1.00 0.60 H new ATOM 0 HG12 VAL A 38 8.507 -2.488 0.948 1.00 0.60 H new ATOM 0 HG13 VAL A 38 7.733 -1.739 2.365 1.00 0.60 H new ATOM 0 HG21 VAL A 38 5.462 -0.417 0.773 1.00 0.53 H new ATOM 0 HG22 VAL A 38 6.398 0.436 2.024 1.00 0.53 H new ATOM 0 HG23 VAL A 38 6.287 1.111 0.381 1.00 0.53 H new ATOM 321 N LYS A 39 10.757 -1.233 1.195 1.00 0.47 N ATOM 322 CA LYS A 39 11.914 -2.037 0.820 1.00 0.53 C ATOM 323 C LYS A 39 11.464 -3.310 0.106 1.00 0.57 C ATOM 324 O LYS A 39 10.357 -3.801 0.336 1.00 0.65 O ATOM 325 CB LYS A 39 12.748 -2.392 2.055 1.00 0.61 C ATOM 326 CG LYS A 39 13.679 -1.277 2.504 1.00 0.53 C ATOM 327 CD LYS A 39 14.314 -1.594 3.848 1.00 1.09 C ATOM 328 CE LYS A 39 15.345 -0.547 4.238 1.00 1.08 C ATOM 329 NZ LYS A 39 15.832 -0.737 5.633 1.00 1.98 N ATOM 0 H LYS A 39 10.521 -1.270 2.187 1.00 0.47 H new ATOM 0 HA LYS A 39 12.534 -1.451 0.141 1.00 0.53 H new ATOM 0 HB2 LYS A 39 12.077 -2.645 2.875 1.00 0.61 H new ATOM 0 HB3 LYS A 39 13.339 -3.282 1.840 1.00 0.61 H new ATOM 0 HG2 LYS A 39 14.459 -1.129 1.757 1.00 0.53 H new ATOM 0 HG3 LYS A 39 13.123 -0.342 2.574 1.00 0.53 H new ATOM 0 HD2 LYS A 39 13.540 -1.647 4.614 1.00 1.09 H new ATOM 0 HD3 LYS A 39 14.788 -2.575 3.805 1.00 1.09 H new ATOM 0 HE2 LYS A 39 16.189 -0.595 3.550 1.00 1.08 H new ATOM 0 HE3 LYS A 39 14.908 0.447 4.138 1.00 1.08 H new ATOM 0 HZ1 LYS A 39 15.604 0.106 6.198 1.00 1.98 H new ATOM 0 HZ2 LYS A 39 15.371 -1.570 6.051 1.00 1.98 H new ATOM 0 HZ3 LYS A 39 16.862 -0.880 5.625 1.00 1.98 H new ATOM 343 N MET A 40 12.325 -3.841 -0.757 1.00 0.63 N ATOM 344 CA MET A 40 12.008 -5.052 -1.510 1.00 0.72 C ATOM 345 C MET A 40 12.185 -6.308 -0.657 1.00 0.75 C ATOM 346 O MET A 40 11.896 -7.419 -1.104 1.00 0.85 O ATOM 347 CB MET A 40 12.882 -5.137 -2.763 1.00 0.85 C ATOM 348 CG MET A 40 12.665 -3.986 -3.734 1.00 0.94 C ATOM 349 SD MET A 40 13.740 -4.075 -5.181 1.00 1.31 S ATOM 350 CE MET A 40 15.358 -3.984 -4.417 1.00 1.48 C ATOM 0 H MET A 40 13.248 -3.453 -0.953 1.00 0.63 H new ATOM 0 HA MET A 40 10.960 -4.996 -1.805 1.00 0.72 H new ATOM 0 HB2 MET A 40 13.930 -5.157 -2.464 1.00 0.85 H new ATOM 0 HB3 MET A 40 12.678 -6.077 -3.275 1.00 0.85 H new ATOM 0 HG2 MET A 40 11.625 -3.984 -4.060 1.00 0.94 H new ATOM 0 HG3 MET A 40 12.839 -3.043 -3.216 1.00 0.94 H new ATOM 0 HE1 MET A 40 16.094 -3.673 -5.159 1.00 1.48 H new ATOM 0 HE2 MET A 40 15.336 -3.260 -3.603 1.00 1.48 H new ATOM 0 HE3 MET A 40 15.630 -4.964 -4.024 1.00 1.48 H new ATOM 360 N THR A 41 12.660 -6.125 0.573 1.00 0.74 N ATOM 361 CA THR A 41 12.870 -7.238 1.490 1.00 0.82 C ATOM 362 C THR A 41 11.700 -7.363 2.468 1.00 0.78 C ATOM 363 O THR A 41 11.377 -8.458 2.930 1.00 0.96 O ATOM 364 CB THR A 41 14.179 -7.063 2.288 1.00 0.94 C ATOM 365 OG1 THR A 41 15.209 -6.549 1.435 1.00 1.32 O ATOM 366 CG2 THR A 41 14.635 -8.387 2.887 1.00 1.14 C ATOM 0 H THR A 41 12.907 -5.213 0.957 1.00 0.74 H new ATOM 0 HA THR A 41 12.939 -8.145 0.889 1.00 0.82 H new ATOM 0 HB THR A 41 13.987 -6.360 3.099 1.00 0.94 H new ATOM 0 HG1 THR A 41 16.036 -6.439 1.950 1.00 1.32 H new ATOM 0 HG21 THR A 41 15.560 -8.235 3.444 1.00 1.14 H new ATOM 0 HG22 THR A 41 13.865 -8.767 3.558 1.00 1.14 H new ATOM 0 HG23 THR A 41 14.807 -9.108 2.088 1.00 1.14 H new ATOM 374 N THR A 42 11.065 -6.232 2.768 1.00 0.71 N ATOM 375 CA THR A 42 9.937 -6.206 3.692 1.00 0.73 C ATOM 376 C THR A 42 8.643 -6.629 3.002 1.00 0.66 C ATOM 377 O THR A 42 8.468 -6.410 1.802 1.00 0.63 O ATOM 378 CB THR A 42 9.753 -4.804 4.306 1.00 0.84 C ATOM 379 OG1 THR A 42 9.535 -3.837 3.271 1.00 0.81 O ATOM 380 CG2 THR A 42 10.973 -4.405 5.123 1.00 1.32 C ATOM 0 H THR A 42 11.314 -5.321 2.383 1.00 0.71 H new ATOM 0 HA THR A 42 10.161 -6.917 4.487 1.00 0.73 H new ATOM 0 HB THR A 42 8.885 -4.835 4.965 1.00 0.84 H new ATOM 0 HG1 THR A 42 9.418 -2.950 3.671 1.00 0.81 H new ATOM 0 HG21 THR A 42 10.819 -3.412 5.546 1.00 1.32 H new ATOM 0 HG22 THR A 42 11.122 -5.124 5.929 1.00 1.32 H new ATOM 0 HG23 THR A 42 11.853 -4.393 4.480 1.00 1.32 H new ATOM 388 N HIS A 43 7.737 -7.231 3.770 1.00 0.70 N ATOM 389 CA HIS A 43 6.457 -7.693 3.236 1.00 0.71 C ATOM 390 C HIS A 43 5.493 -6.531 3.024 1.00 0.67 C ATOM 391 O HIS A 43 5.688 -5.440 3.562 1.00 0.67 O ATOM 392 CB HIS A 43 5.826 -8.727 4.173 1.00 0.82 C ATOM 393 CG HIS A 43 6.565 -10.029 4.216 1.00 0.84 C ATOM 394 ND1 HIS A 43 7.485 -10.359 5.186 1.00 0.93 N ATOM 395 CD2 HIS A 43 6.505 -11.094 3.378 1.00 0.97 C ATOM 396 CE1 HIS A 43 7.947 -11.586 4.913 1.00 0.94 C ATOM 397 NE2 HIS A 43 7.384 -12.078 3.826 1.00 0.94 N ATOM 0 H HIS A 43 7.866 -7.411 4.766 1.00 0.70 H new ATOM 0 HA HIS A 43 6.652 -8.158 2.269 1.00 0.71 H new ATOM 0 HB2 HIS A 43 5.780 -8.312 5.180 1.00 0.82 H new ATOM 0 HB3 HIS A 43 4.799 -8.912 3.857 1.00 0.82 H new ATOM 0 HD2 HIS A 43 5.876 -11.168 2.503 1.00 0.97 H new ATOM 0 HE1 HIS A 43 8.685 -12.106 5.506 1.00 0.94 H new ATOM 0 HE2 HIS A 43 7.556 -12.989 3.402 1.00 0.94 H new ATOM 405 N LEU A 44 4.446 -6.776 2.239 1.00 0.66 N ATOM 406 CA LEU A 44 3.448 -5.753 1.950 1.00 0.64 C ATOM 407 C LEU A 44 2.412 -5.658 3.064 1.00 0.63 C ATOM 408 O LEU A 44 1.508 -4.824 3.010 1.00 0.58 O ATOM 409 CB LEU A 44 2.752 -6.037 0.619 1.00 0.64 C ATOM 410 CG LEU A 44 3.662 -6.025 -0.611 1.00 0.69 C ATOM 411 CD1 LEU A 44 2.836 -6.124 -1.881 1.00 0.72 C ATOM 412 CD2 LEU A 44 4.528 -4.774 -0.630 1.00 0.68 C ATOM 0 H LEU A 44 4.268 -7.675 1.792 1.00 0.66 H new ATOM 0 HA LEU A 44 3.969 -4.798 1.882 1.00 0.64 H new ATOM 0 HB2 LEU A 44 2.267 -7.011 0.682 1.00 0.64 H new ATOM 0 HB3 LEU A 44 1.964 -5.298 0.475 1.00 0.64 H new ATOM 0 HG LEU A 44 4.321 -6.892 -0.559 1.00 0.69 H new ATOM 0 HD11 LEU A 44 3.498 -6.114 -2.747 1.00 0.72 H new ATOM 0 HD12 LEU A 44 2.264 -7.052 -1.872 1.00 0.72 H new ATOM 0 HD13 LEU A 44 2.152 -5.277 -1.937 1.00 0.72 H new ATOM 0 HD21 LEU A 44 5.167 -4.787 -1.513 1.00 0.68 H new ATOM 0 HD22 LEU A 44 3.890 -3.890 -0.656 1.00 0.68 H new ATOM 0 HD23 LEU A 44 5.148 -4.747 0.266 1.00 0.68 H new ATOM 424 N LYS A 45 2.543 -6.521 4.069 1.00 0.68 N ATOM 425 CA LYS A 45 1.626 -6.514 5.200 1.00 0.70 C ATOM 426 C LYS A 45 1.850 -5.264 6.043 1.00 0.69 C ATOM 427 O LYS A 45 0.907 -4.699 6.594 1.00 0.69 O ATOM 428 CB LYS A 45 1.813 -7.768 6.052 1.00 0.78 C ATOM 429 CG LYS A 45 0.688 -7.990 7.047 1.00 0.82 C ATOM 430 CD LYS A 45 0.811 -9.336 7.740 1.00 0.85 C ATOM 431 CE LYS A 45 -0.352 -9.573 8.688 1.00 0.90 C ATOM 432 NZ LYS A 45 -0.311 -10.933 9.288 1.00 0.93 N ATOM 0 H LYS A 45 3.274 -7.231 4.121 1.00 0.68 H new ATOM 0 HA LYS A 45 0.604 -6.508 4.820 1.00 0.70 H new ATOM 0 HB2 LYS A 45 1.886 -8.636 5.397 1.00 0.78 H new ATOM 0 HB3 LYS A 45 2.757 -7.695 6.592 1.00 0.78 H new ATOM 0 HG2 LYS A 45 0.698 -7.194 7.792 1.00 0.82 H new ATOM 0 HG3 LYS A 45 -0.271 -7.932 6.532 1.00 0.82 H new ATOM 0 HD2 LYS A 45 0.844 -10.130 6.994 1.00 0.85 H new ATOM 0 HD3 LYS A 45 1.749 -9.379 8.293 1.00 0.85 H new ATOM 0 HE2 LYS A 45 -0.332 -8.826 9.481 1.00 0.90 H new ATOM 0 HE3 LYS A 45 -1.291 -9.442 8.150 1.00 0.90 H new ATOM 0 HZ1 LYS A 45 -1.121 -11.054 9.928 1.00 0.93 H new ATOM 0 HZ2 LYS A 45 -0.356 -11.647 8.533 1.00 0.93 H new ATOM 0 HZ3 LYS A 45 0.573 -11.050 9.823 1.00 0.93 H new ATOM 446 N LYS A 46 3.109 -4.831 6.120 1.00 0.71 N ATOM 447 CA LYS A 46 3.464 -3.637 6.877 1.00 0.74 C ATOM 448 C LYS A 46 3.055 -2.386 6.107 1.00 0.64 C ATOM 449 O LYS A 46 2.775 -1.346 6.700 1.00 0.64 O ATOM 450 CB LYS A 46 4.964 -3.624 7.183 1.00 0.81 C ATOM 451 CG LYS A 46 5.377 -4.639 8.242 1.00 0.88 C ATOM 452 CD LYS A 46 4.733 -4.338 9.586 1.00 0.99 C ATOM 453 CE LYS A 46 5.098 -5.378 10.631 1.00 1.10 C ATOM 454 NZ LYS A 46 4.346 -5.173 11.901 1.00 1.27 N ATOM 0 H LYS A 46 3.898 -5.292 5.666 1.00 0.71 H new ATOM 0 HA LYS A 46 2.926 -3.648 7.825 1.00 0.74 H new ATOM 0 HB2 LYS A 46 5.516 -3.824 6.265 1.00 0.81 H new ATOM 0 HB3 LYS A 46 5.250 -2.626 7.516 1.00 0.81 H new ATOM 0 HG2 LYS A 46 5.093 -5.640 7.918 1.00 0.88 H new ATOM 0 HG3 LYS A 46 6.462 -4.634 8.348 1.00 0.88 H new ATOM 0 HD2 LYS A 46 5.049 -3.352 9.928 1.00 0.99 H new ATOM 0 HD3 LYS A 46 3.650 -4.303 9.470 1.00 0.99 H new ATOM 0 HE2 LYS A 46 4.889 -6.374 10.241 1.00 1.10 H new ATOM 0 HE3 LYS A 46 6.169 -5.332 10.831 1.00 1.10 H new ATOM 0 HZ1 LYS A 46 4.233 -6.085 12.389 1.00 1.27 H new ATOM 0 HZ2 LYS A 46 4.871 -4.516 12.513 1.00 1.27 H new ATOM 0 HZ3 LYS A 46 3.409 -4.775 11.689 1.00 1.27 H new ATOM 468 N LEU A 47 3.022 -2.503 4.778 1.00 0.58 N ATOM 469 CA LEU A 47 2.607 -1.404 3.911 1.00 0.50 C ATOM 470 C LEU A 47 1.111 -1.159 4.095 1.00 0.45 C ATOM 471 O LEU A 47 0.642 -0.020 4.081 1.00 0.42 O ATOM 472 CB LEU A 47 2.921 -1.743 2.445 1.00 0.50 C ATOM 473 CG LEU A 47 1.875 -1.292 1.418 1.00 0.49 C ATOM 474 CD1 LEU A 47 2.417 -0.170 0.550 1.00 0.51 C ATOM 475 CD2 LEU A 47 1.435 -2.465 0.556 1.00 0.63 C ATOM 0 H LEU A 47 3.280 -3.354 4.279 1.00 0.58 H new ATOM 0 HA LEU A 47 3.154 -0.499 4.177 1.00 0.50 H new ATOM 0 HB2 LEU A 47 3.878 -1.291 2.184 1.00 0.50 H new ATOM 0 HB3 LEU A 47 3.045 -2.823 2.360 1.00 0.50 H new ATOM 0 HG LEU A 47 1.008 -0.914 1.960 1.00 0.49 H new ATOM 0 HD11 LEU A 47 1.657 0.132 -0.170 1.00 0.51 H new ATOM 0 HD12 LEU A 47 2.681 0.681 1.178 1.00 0.51 H new ATOM 0 HD13 LEU A 47 3.303 -0.517 0.018 1.00 0.51 H new ATOM 0 HD21 LEU A 47 0.693 -2.127 -0.167 1.00 0.63 H new ATOM 0 HD22 LEU A 47 2.297 -2.872 0.028 1.00 0.63 H new ATOM 0 HD23 LEU A 47 0.999 -3.238 1.189 1.00 0.63 H new ATOM 487 N LYS A 48 0.378 -2.258 4.268 1.00 0.46 N ATOM 488 CA LYS A 48 -1.063 -2.219 4.477 1.00 0.44 C ATOM 489 C LYS A 48 -1.385 -1.604 5.839 1.00 0.48 C ATOM 490 O LYS A 48 -2.380 -0.899 5.991 1.00 0.48 O ATOM 491 CB LYS A 48 -1.629 -3.638 4.385 1.00 0.48 C ATOM 492 CG LYS A 48 -3.110 -3.700 4.054 1.00 0.50 C ATOM 493 CD LYS A 48 -3.574 -5.140 3.895 1.00 0.59 C ATOM 494 CE LYS A 48 -5.064 -5.225 3.609 1.00 0.65 C ATOM 495 NZ LYS A 48 -5.526 -6.637 3.505 1.00 0.77 N ATOM 0 H LYS A 48 0.770 -3.200 4.267 1.00 0.46 H new ATOM 0 HA LYS A 48 -1.522 -1.600 3.706 1.00 0.44 H new ATOM 0 HB2 LYS A 48 -1.075 -4.189 3.625 1.00 0.48 H new ATOM 0 HB3 LYS A 48 -1.459 -4.147 5.334 1.00 0.48 H new ATOM 0 HG2 LYS A 48 -3.683 -3.215 4.844 1.00 0.50 H new ATOM 0 HG3 LYS A 48 -3.304 -3.148 3.134 1.00 0.50 H new ATOM 0 HD2 LYS A 48 -3.021 -5.613 3.083 1.00 0.59 H new ATOM 0 HD3 LYS A 48 -3.346 -5.698 4.803 1.00 0.59 H new ATOM 0 HE2 LYS A 48 -5.616 -4.719 4.401 1.00 0.65 H new ATOM 0 HE3 LYS A 48 -5.287 -4.700 2.680 1.00 0.65 H new ATOM 0 HZ1 LYS A 48 -6.547 -6.655 3.309 1.00 0.77 H new ATOM 0 HZ2 LYS A 48 -5.017 -7.113 2.733 1.00 0.77 H new ATOM 0 HZ3 LYS A 48 -5.336 -7.131 4.400 1.00 0.77 H new ATOM 509 N GLU A 49 -0.521 -1.878 6.820 1.00 0.55 N ATOM 510 CA GLU A 49 -0.690 -1.356 8.176 1.00 0.61 C ATOM 511 C GLU A 49 -0.433 0.148 8.223 1.00 0.61 C ATOM 512 O GLU A 49 -1.119 0.877 8.936 1.00 0.63 O ATOM 513 CB GLU A 49 0.263 -2.068 9.144 1.00 0.71 C ATOM 514 CG GLU A 49 -0.109 -3.514 9.425 1.00 0.76 C ATOM 515 CD GLU A 49 0.970 -4.256 10.192 1.00 0.85 C ATOM 516 OE1 GLU A 49 1.233 -3.888 11.357 1.00 0.95 O ATOM 517 OE2 GLU A 49 1.552 -5.206 9.629 1.00 0.89 O ATOM 0 H GLU A 49 0.306 -2.462 6.698 1.00 0.55 H new ATOM 0 HA GLU A 49 -1.721 -1.543 8.478 1.00 0.61 H new ATOM 0 HB2 GLU A 49 1.272 -2.036 8.733 1.00 0.71 H new ATOM 0 HB3 GLU A 49 0.285 -1.519 10.086 1.00 0.71 H new ATOM 0 HG2 GLU A 49 -1.038 -3.542 9.994 1.00 0.76 H new ATOM 0 HG3 GLU A 49 -0.297 -4.027 8.482 1.00 0.76 H new ATOM 524 N SER A 50 0.558 0.598 7.454 1.00 0.60 N ATOM 525 CA SER A 50 0.924 2.012 7.403 1.00 0.62 C ATOM 526 C SER A 50 -0.196 2.865 6.809 1.00 0.54 C ATOM 527 O SER A 50 -0.470 3.963 7.292 1.00 0.56 O ATOM 528 CB SER A 50 2.206 2.197 6.585 1.00 0.67 C ATOM 529 OG SER A 50 3.304 1.550 7.203 1.00 1.22 O ATOM 0 H SER A 50 1.125 -0.001 6.854 1.00 0.60 H new ATOM 0 HA SER A 50 1.093 2.345 8.427 1.00 0.62 H new ATOM 0 HB2 SER A 50 2.062 1.796 5.582 1.00 0.67 H new ATOM 0 HB3 SER A 50 2.421 3.260 6.476 1.00 0.67 H new ATOM 0 HG SER A 50 3.209 0.580 7.105 1.00 1.22 H new ATOM 535 N TYR A 51 -0.835 2.360 5.757 1.00 0.47 N ATOM 536 CA TYR A 51 -1.922 3.083 5.104 1.00 0.41 C ATOM 537 C TYR A 51 -3.177 3.120 5.975 1.00 0.43 C ATOM 538 O TYR A 51 -3.881 4.125 6.010 1.00 0.44 O ATOM 539 CB TYR A 51 -2.246 2.450 3.746 1.00 0.38 C ATOM 540 CG TYR A 51 -3.200 3.270 2.905 1.00 0.38 C ATOM 541 CD1 TYR A 51 -2.881 4.567 2.520 1.00 0.42 C ATOM 542 CD2 TYR A 51 -4.419 2.747 2.495 1.00 0.45 C ATOM 543 CE1 TYR A 51 -3.750 5.319 1.753 1.00 0.46 C ATOM 544 CE2 TYR A 51 -5.294 3.493 1.726 1.00 0.50 C ATOM 545 CZ TYR A 51 -4.953 4.777 1.359 1.00 0.47 C ATOM 546 OH TYR A 51 -5.821 5.524 0.594 1.00 0.55 O ATOM 0 H TYR A 51 -0.619 1.455 5.339 1.00 0.47 H new ATOM 0 HA TYR A 51 -1.588 4.109 4.951 1.00 0.41 H new ATOM 0 HB2 TYR A 51 -1.319 2.306 3.192 1.00 0.38 H new ATOM 0 HB3 TYR A 51 -2.677 1.462 3.909 1.00 0.38 H new ATOM 0 HD1 TYR A 51 -1.937 4.994 2.826 1.00 0.42 H new ATOM 0 HD2 TYR A 51 -4.689 1.741 2.781 1.00 0.45 H new ATOM 0 HE1 TYR A 51 -3.487 6.326 1.464 1.00 0.46 H new ATOM 0 HE2 TYR A 51 -6.239 3.072 1.415 1.00 0.50 H new ATOM 0 HH TYR A 51 -6.624 4.996 0.400 1.00 0.55 H new ATOM 556 N CYS A 52 -3.442 2.025 6.685 1.00 0.45 N ATOM 557 CA CYS A 52 -4.625 1.926 7.540 1.00 0.49 C ATOM 558 C CYS A 52 -4.545 2.848 8.760 1.00 0.56 C ATOM 559 O CYS A 52 -5.554 3.421 9.169 1.00 0.60 O ATOM 560 CB CYS A 52 -4.829 0.479 7.994 1.00 0.53 C ATOM 561 SG CYS A 52 -5.439 -0.621 6.694 1.00 0.50 S ATOM 0 H CYS A 52 -2.853 1.192 6.686 1.00 0.45 H new ATOM 0 HA CYS A 52 -5.478 2.249 6.943 1.00 0.49 H new ATOM 0 HB2 CYS A 52 -3.883 0.090 8.370 1.00 0.53 H new ATOM 0 HB3 CYS A 52 -5.533 0.466 8.826 1.00 0.53 H new ATOM 0 HG CYS A 52 -4.435 -1.077 6.005 1.00 0.50 H new ATOM 567 N GLN A 53 -3.355 2.987 9.343 1.00 0.58 N ATOM 568 CA GLN A 53 -3.181 3.839 10.522 1.00 0.67 C ATOM 569 C GLN A 53 -3.131 5.323 10.148 1.00 0.67 C ATOM 570 O GLN A 53 -3.517 6.181 10.941 1.00 0.74 O ATOM 571 CB GLN A 53 -1.923 3.440 11.308 1.00 0.72 C ATOM 572 CG GLN A 53 -0.621 3.569 10.527 1.00 0.73 C ATOM 573 CD GLN A 53 0.099 4.881 10.782 1.00 0.77 C ATOM 574 OE1 GLN A 53 0.010 5.454 11.868 1.00 0.81 O ATOM 575 NE2 GLN A 53 0.813 5.367 9.775 1.00 0.82 N ATOM 0 H GLN A 53 -2.503 2.526 9.023 1.00 0.58 H new ATOM 0 HA GLN A 53 -4.051 3.687 11.160 1.00 0.67 H new ATOM 0 HB2 GLN A 53 -1.858 4.059 12.203 1.00 0.72 H new ATOM 0 HB3 GLN A 53 -2.031 2.408 11.642 1.00 0.72 H new ATOM 0 HG2 GLN A 53 0.038 2.742 10.792 1.00 0.73 H new ATOM 0 HG3 GLN A 53 -0.833 3.479 9.462 1.00 0.73 H new ATOM 0 HE21 GLN A 53 0.860 4.860 8.891 1.00 0.82 H new ATOM 0 HE22 GLN A 53 1.315 6.248 9.884 1.00 0.82 H new ATOM 584 N ARG A 54 -2.656 5.619 8.940 1.00 0.62 N ATOM 585 CA ARG A 54 -2.549 7.000 8.475 1.00 0.64 C ATOM 586 C ARG A 54 -3.829 7.448 7.762 1.00 0.64 C ATOM 587 O ARG A 54 -3.918 8.578 7.279 1.00 0.75 O ATOM 588 CB ARG A 54 -1.343 7.140 7.536 1.00 0.61 C ATOM 589 CG ARG A 54 -0.910 8.578 7.279 1.00 0.70 C ATOM 590 CD ARG A 54 -0.327 9.228 8.525 1.00 0.87 C ATOM 591 NE ARG A 54 0.928 8.601 8.936 1.00 0.98 N ATOM 592 CZ ARG A 54 1.573 8.900 10.062 1.00 1.21 C ATOM 593 NH1 ARG A 54 1.088 9.817 10.890 1.00 1.36 N ATOM 594 NH2 ARG A 54 2.710 8.284 10.360 1.00 1.36 N ATOM 0 H ARG A 54 -2.339 4.922 8.266 1.00 0.62 H new ATOM 0 HA ARG A 54 -2.408 7.643 9.344 1.00 0.64 H new ATOM 0 HB2 ARG A 54 -0.502 6.590 7.959 1.00 0.61 H new ATOM 0 HB3 ARG A 54 -1.584 6.670 6.583 1.00 0.61 H new ATOM 0 HG2 ARG A 54 -0.169 8.596 6.480 1.00 0.70 H new ATOM 0 HG3 ARG A 54 -1.766 9.158 6.934 1.00 0.70 H new ATOM 0 HD2 ARG A 54 -0.157 10.288 8.335 1.00 0.87 H new ATOM 0 HD3 ARG A 54 -1.049 9.162 9.339 1.00 0.87 H new ATOM 0 HE ARG A 54 1.334 7.893 8.324 1.00 0.98 H new ATOM 0 HH11 ARG A 54 0.217 10.297 10.665 1.00 1.36 H new ATOM 0 HH12 ARG A 54 1.587 10.042 11.751 1.00 1.36 H new ATOM 0 HH21 ARG A 54 3.090 7.581 9.726 1.00 1.36 H new ATOM 0 HH22 ARG A 54 3.204 8.514 11.223 1.00 1.36 H new ATOM 608 N GLN A 55 -4.825 6.569 7.710 1.00 0.59 N ATOM 609 CA GLN A 55 -6.079 6.893 7.041 1.00 0.62 C ATOM 610 C GLN A 55 -7.289 6.640 7.938 1.00 0.68 C ATOM 611 O GLN A 55 -8.388 7.111 7.638 1.00 0.71 O ATOM 612 CB GLN A 55 -6.213 6.068 5.755 1.00 0.57 C ATOM 613 CG GLN A 55 -7.065 6.724 4.680 1.00 0.63 C ATOM 614 CD GLN A 55 -6.425 7.973 4.106 1.00 0.64 C ATOM 615 OE1 GLN A 55 -5.624 7.900 3.175 1.00 0.60 O ATOM 616 NE2 GLN A 55 -6.781 9.128 4.655 1.00 0.76 N ATOM 0 H GLN A 55 -4.789 5.635 8.119 1.00 0.59 H new ATOM 0 HA GLN A 55 -6.057 7.956 6.802 1.00 0.62 H new ATOM 0 HB2 GLN A 55 -5.218 5.882 5.351 1.00 0.57 H new ATOM 0 HB3 GLN A 55 -6.644 5.098 6.002 1.00 0.57 H new ATOM 0 HG2 GLN A 55 -7.242 6.009 3.876 1.00 0.63 H new ATOM 0 HG3 GLN A 55 -8.038 6.979 5.099 1.00 0.63 H new ATOM 0 HE21 GLN A 55 -7.449 9.142 5.426 1.00 0.76 H new ATOM 0 HE22 GLN A 55 -6.387 10.002 4.306 1.00 0.76 H new ATOM 625 N GLY A 56 -7.094 5.916 9.044 1.00 0.71 N ATOM 626 CA GLY A 56 -8.219 5.616 9.916 1.00 0.78 C ATOM 627 C GLY A 56 -9.264 4.713 9.290 1.00 0.77 C ATOM 628 O GLY A 56 -10.434 5.075 9.217 1.00 0.82 O ATOM 0 H GLY A 56 -6.195 5.540 9.345 1.00 0.71 H new ATOM 0 HA2 GLY A 56 -7.845 5.145 10.825 1.00 0.78 H new ATOM 0 HA3 GLY A 56 -8.694 6.551 10.214 1.00 0.78 H new ATOM 632 N VAL A 57 -8.848 3.530 8.854 1.00 0.73 N ATOM 633 CA VAL A 57 -9.752 2.581 8.212 1.00 0.74 C ATOM 634 C VAL A 57 -9.311 1.145 8.491 1.00 0.73 C ATOM 635 O VAL A 57 -8.187 0.774 8.175 1.00 0.68 O ATOM 636 CB VAL A 57 -9.759 2.792 6.688 1.00 0.68 C ATOM 637 CG1 VAL A 57 -10.604 1.732 6.018 1.00 0.71 C ATOM 638 CG2 VAL A 57 -10.284 4.177 6.358 1.00 0.71 C ATOM 0 H VAL A 57 -7.885 3.203 8.934 1.00 0.73 H new ATOM 0 HA VAL A 57 -10.749 2.749 8.618 1.00 0.74 H new ATOM 0 HB VAL A 57 -8.739 2.707 6.314 1.00 0.68 H new ATOM 0 HG11 VAL A 57 -10.601 1.892 4.940 1.00 0.71 H new ATOM 0 HG12 VAL A 57 -10.195 0.746 6.240 1.00 0.71 H new ATOM 0 HG13 VAL A 57 -11.626 1.792 6.391 1.00 0.71 H new ATOM 0 HG21 VAL A 57 -10.285 4.318 5.277 1.00 0.71 H new ATOM 0 HG22 VAL A 57 -11.300 4.281 6.739 1.00 0.71 H new ATOM 0 HG23 VAL A 57 -9.644 4.928 6.821 1.00 0.71 H new ATOM 648 N PRO A 58 -10.201 0.316 9.062 1.00 0.80 N ATOM 649 CA PRO A 58 -9.870 -1.081 9.370 1.00 0.82 C ATOM 650 C PRO A 58 -9.201 -1.857 8.233 1.00 0.76 C ATOM 651 O PRO A 58 -9.592 -1.746 7.072 1.00 0.73 O ATOM 652 CB PRO A 58 -11.218 -1.674 9.780 1.00 0.91 C ATOM 653 CG PRO A 58 -12.209 -0.811 9.070 1.00 0.90 C ATOM 654 CD PRO A 58 -11.633 0.561 9.276 1.00 0.87 C ATOM 0 HA PRO A 58 -9.109 -1.145 10.147 1.00 0.82 H new ATOM 0 HB2 PRO A 58 -11.306 -2.718 9.478 1.00 0.91 H new ATOM 0 HB3 PRO A 58 -11.359 -1.642 10.860 1.00 0.91 H new ATOM 0 HG2 PRO A 58 -12.288 -1.066 8.013 1.00 0.90 H new ATOM 0 HG3 PRO A 58 -13.208 -0.902 9.496 1.00 0.90 H new ATOM 0 HD2 PRO A 58 -12.035 1.285 8.567 1.00 0.87 H new ATOM 0 HD3 PRO A 58 -11.838 0.946 10.275 1.00 0.87 H new ATOM 662 N MET A 59 -8.190 -2.644 8.597 1.00 0.76 N ATOM 663 CA MET A 59 -7.416 -3.455 7.658 1.00 0.72 C ATOM 664 C MET A 59 -8.256 -4.109 6.558 1.00 0.73 C ATOM 665 O MET A 59 -7.799 -4.275 5.421 1.00 0.69 O ATOM 666 CB MET A 59 -6.666 -4.545 8.433 1.00 0.77 C ATOM 667 CG MET A 59 -5.589 -5.285 7.645 1.00 0.74 C ATOM 668 SD MET A 59 -4.127 -4.266 7.360 1.00 0.66 S ATOM 669 CE MET A 59 -3.768 -3.733 9.054 1.00 0.73 C ATOM 0 H MET A 59 -7.881 -2.738 9.565 1.00 0.76 H new ATOM 0 HA MET A 59 -6.728 -2.774 7.157 1.00 0.72 H new ATOM 0 HB2 MET A 59 -6.204 -4.091 9.309 1.00 0.77 H new ATOM 0 HB3 MET A 59 -7.391 -5.273 8.796 1.00 0.77 H new ATOM 0 HG2 MET A 59 -5.301 -6.186 8.186 1.00 0.74 H new ATOM 0 HG3 MET A 59 -5.998 -5.605 6.687 1.00 0.74 H new ATOM 0 HE1 MET A 59 -2.731 -3.405 9.120 1.00 0.73 H new ATOM 0 HE2 MET A 59 -4.427 -2.908 9.323 1.00 0.73 H new ATOM 0 HE3 MET A 59 -3.930 -4.565 9.739 1.00 0.73 H new ATOM 679 N ASN A 60 -9.485 -4.483 6.903 1.00 0.80 N ATOM 680 CA ASN A 60 -10.391 -5.138 5.966 1.00 0.84 C ATOM 681 C ASN A 60 -11.092 -4.159 5.037 1.00 0.82 C ATOM 682 O ASN A 60 -11.006 -4.278 3.817 1.00 0.80 O ATOM 683 CB ASN A 60 -11.448 -5.941 6.729 1.00 0.93 C ATOM 684 CG ASN A 60 -12.313 -5.068 7.625 1.00 0.96 C ATOM 685 OD1 ASN A 60 -11.830 -4.475 8.588 1.00 0.95 O ATOM 686 ND2 ASN A 60 -13.601 -4.982 7.301 1.00 1.01 N ATOM 0 H ASN A 60 -9.878 -4.342 7.833 1.00 0.80 H new ATOM 0 HA ASN A 60 -9.777 -5.797 5.352 1.00 0.84 H new ATOM 0 HB2 ASN A 60 -12.084 -6.466 6.016 1.00 0.93 H new ATOM 0 HB3 ASN A 60 -10.954 -6.700 7.335 1.00 0.93 H new ATOM 0 HD21 ASN A 60 -14.230 -4.407 7.861 1.00 1.01 H new ATOM 0 HD22 ASN A 60 -13.959 -5.492 6.493 1.00 1.01 H new ATOM 693 N SER A 61 -11.792 -3.201 5.635 1.00 0.84 N ATOM 694 CA SER A 61 -12.547 -2.187 4.913 1.00 0.84 C ATOM 695 C SER A 61 -12.119 -1.965 3.464 1.00 0.80 C ATOM 696 O SER A 61 -12.967 -1.828 2.588 1.00 0.85 O ATOM 697 CB SER A 61 -12.488 -0.860 5.680 1.00 0.83 C ATOM 698 OG SER A 61 -13.342 0.124 5.111 1.00 0.85 O ATOM 0 H SER A 61 -11.851 -3.107 6.649 1.00 0.84 H new ATOM 0 HA SER A 61 -13.566 -2.569 4.856 1.00 0.84 H new ATOM 0 HB2 SER A 61 -12.772 -1.029 6.719 1.00 0.83 H new ATOM 0 HB3 SER A 61 -11.463 -0.490 5.686 1.00 0.83 H new ATOM 0 HG SER A 61 -13.528 0.819 5.776 1.00 0.85 H new ATOM 704 N LEU A 62 -10.818 -1.940 3.200 1.00 0.73 N ATOM 705 CA LEU A 62 -10.345 -1.708 1.839 1.00 0.70 C ATOM 706 C LEU A 62 -9.952 -2.976 1.081 1.00 0.72 C ATOM 707 O LEU A 62 -10.357 -4.082 1.432 1.00 0.77 O ATOM 708 CB LEU A 62 -9.148 -0.759 1.863 1.00 0.62 C ATOM 709 CG LEU A 62 -9.225 0.442 2.804 1.00 0.61 C ATOM 710 CD1 LEU A 62 -7.961 1.263 2.642 1.00 0.53 C ATOM 711 CD2 LEU A 62 -10.458 1.279 2.504 1.00 0.67 C ATOM 0 H LEU A 62 -10.083 -2.075 3.895 1.00 0.73 H new ATOM 0 HA LEU A 62 -11.191 -1.275 1.305 1.00 0.70 H new ATOM 0 HB2 LEU A 62 -8.263 -1.338 2.127 1.00 0.62 H new ATOM 0 HB3 LEU A 62 -8.994 -0.385 0.851 1.00 0.62 H new ATOM 0 HG LEU A 62 -9.307 0.099 3.835 1.00 0.61 H new ATOM 0 HD11 LEU A 62 -8.000 2.125 3.307 1.00 0.53 H new ATOM 0 HD12 LEU A 62 -7.095 0.650 2.892 1.00 0.53 H new ATOM 0 HD13 LEU A 62 -7.879 1.604 1.610 1.00 0.53 H new ATOM 0 HD21 LEU A 62 -10.495 2.129 3.185 1.00 0.67 H new ATOM 0 HD22 LEU A 62 -10.412 1.639 1.476 1.00 0.67 H new ATOM 0 HD23 LEU A 62 -11.352 0.670 2.636 1.00 0.67 H new ATOM 723 N ARG A 63 -9.162 -2.781 0.028 1.00 0.69 N ATOM 724 CA ARG A 63 -8.653 -3.855 -0.824 1.00 0.72 C ATOM 725 C ARG A 63 -7.630 -3.210 -1.757 1.00 0.69 C ATOM 726 O ARG A 63 -7.900 -2.151 -2.329 1.00 0.70 O ATOM 727 CB ARG A 63 -9.778 -4.483 -1.651 1.00 0.82 C ATOM 728 CG ARG A 63 -9.290 -5.489 -2.683 1.00 0.86 C ATOM 729 CD ARG A 63 -10.377 -5.856 -3.689 1.00 0.95 C ATOM 730 NE ARG A 63 -11.370 -6.791 -3.158 1.00 1.01 N ATOM 731 CZ ARG A 63 -12.402 -7.256 -3.860 1.00 1.10 C ATOM 732 NH1 ARG A 63 -12.579 -6.866 -5.117 1.00 1.14 N ATOM 733 NH2 ARG A 63 -13.250 -8.118 -3.313 1.00 1.14 N ATOM 0 H ARG A 63 -8.851 -1.854 -0.263 1.00 0.69 H new ATOM 0 HA ARG A 63 -8.214 -4.649 -0.220 1.00 0.72 H new ATOM 0 HB2 ARG A 63 -10.479 -4.977 -0.978 1.00 0.82 H new ATOM 0 HB3 ARG A 63 -10.328 -3.692 -2.160 1.00 0.82 H new ATOM 0 HG2 ARG A 63 -8.432 -5.076 -3.213 1.00 0.86 H new ATOM 0 HG3 ARG A 63 -8.948 -6.391 -2.175 1.00 0.86 H new ATOM 0 HD2 ARG A 63 -10.883 -4.947 -4.014 1.00 0.95 H new ATOM 0 HD3 ARG A 63 -9.911 -6.295 -4.572 1.00 0.95 H new ATOM 0 HE ARG A 63 -11.266 -7.105 -2.193 1.00 1.01 H new ATOM 0 HH11 ARG A 63 -11.925 -6.211 -5.545 1.00 1.14 H new ATOM 0 HH12 ARG A 63 -13.369 -7.222 -5.655 1.00 1.14 H new ATOM 0 HH21 ARG A 63 -13.113 -8.427 -2.351 1.00 1.14 H new ATOM 0 HH22 ARG A 63 -14.039 -8.471 -3.855 1.00 1.14 H new ATOM 747 N PHE A 64 -6.466 -3.835 -1.907 1.00 0.66 N ATOM 748 CA PHE A 64 -5.411 -3.284 -2.758 1.00 0.64 C ATOM 749 C PHE A 64 -5.157 -4.158 -3.978 1.00 0.72 C ATOM 750 O PHE A 64 -5.196 -5.383 -3.886 1.00 0.75 O ATOM 751 CB PHE A 64 -4.119 -3.131 -1.950 1.00 0.56 C ATOM 752 CG PHE A 64 -4.297 -2.384 -0.659 1.00 0.50 C ATOM 753 CD1 PHE A 64 -5.059 -2.921 0.376 1.00 0.51 C ATOM 754 CD2 PHE A 64 -3.724 -1.132 -0.481 1.00 0.44 C ATOM 755 CE1 PHE A 64 -5.254 -2.222 1.566 1.00 0.48 C ATOM 756 CE2 PHE A 64 -3.912 -0.425 0.705 1.00 0.40 C ATOM 757 CZ PHE A 64 -4.680 -0.972 1.729 1.00 0.42 C ATOM 0 H PHE A 64 -6.228 -4.718 -1.455 1.00 0.66 H new ATOM 0 HA PHE A 64 -5.743 -2.308 -3.111 1.00 0.64 H new ATOM 0 HB2 PHE A 64 -3.717 -4.121 -1.734 1.00 0.56 H new ATOM 0 HB3 PHE A 64 -3.379 -2.613 -2.560 1.00 0.56 H new ATOM 0 HD1 PHE A 64 -5.507 -3.896 0.254 1.00 0.51 H new ATOM 0 HD2 PHE A 64 -3.126 -0.701 -1.270 1.00 0.44 H new ATOM 0 HE1 PHE A 64 -5.850 -2.653 2.357 1.00 0.48 H new ATOM 0 HE2 PHE A 64 -3.461 0.548 0.830 1.00 0.40 H new ATOM 0 HZ PHE A 64 -4.828 -0.424 2.648 1.00 0.42 H new ATOM 767 N LEU A 65 -4.886 -3.527 -5.116 1.00 0.75 N ATOM 768 CA LEU A 65 -4.648 -4.263 -6.354 1.00 0.83 C ATOM 769 C LEU A 65 -3.379 -3.845 -7.093 1.00 0.84 C ATOM 770 O LEU A 65 -2.844 -2.754 -6.878 1.00 0.80 O ATOM 771 CB LEU A 65 -5.836 -4.088 -7.301 1.00 0.92 C ATOM 772 CG LEU A 65 -7.248 -4.265 -6.742 1.00 0.93 C ATOM 773 CD1 LEU A 65 -8.248 -4.015 -7.859 1.00 1.03 C ATOM 774 CD2 LEU A 65 -7.420 -5.662 -6.164 1.00 0.94 C ATOM 0 H LEU A 65 -4.826 -2.513 -5.207 1.00 0.75 H new ATOM 0 HA LEU A 65 -4.521 -5.304 -6.056 1.00 0.83 H new ATOM 0 HB2 LEU A 65 -5.773 -3.088 -7.731 1.00 0.92 H new ATOM 0 HB3 LEU A 65 -5.713 -4.796 -8.121 1.00 0.92 H new ATOM 0 HG LEU A 65 -7.419 -3.551 -5.936 1.00 0.93 H new ATOM 0 HD11 LEU A 65 -9.261 -4.138 -7.475 1.00 1.03 H new ATOM 0 HD12 LEU A 65 -8.124 -3.001 -8.238 1.00 1.03 H new ATOM 0 HD13 LEU A 65 -8.077 -4.727 -8.666 1.00 1.03 H new ATOM 0 HD21 LEU A 65 -8.431 -5.771 -5.770 1.00 0.94 H new ATOM 0 HD22 LEU A 65 -7.253 -6.402 -6.946 1.00 0.94 H new ATOM 0 HD23 LEU A 65 -6.699 -5.815 -5.361 1.00 0.94 H new ATOM 786 N PHE A 66 -2.917 -4.729 -7.972 1.00 0.91 N ATOM 787 CA PHE A 66 -1.733 -4.487 -8.790 1.00 0.94 C ATOM 788 C PHE A 66 -1.889 -5.267 -10.095 1.00 1.04 C ATOM 789 O PHE A 66 -2.425 -6.377 -10.099 1.00 1.07 O ATOM 790 CB PHE A 66 -0.468 -4.934 -8.057 1.00 0.89 C ATOM 791 CG PHE A 66 0.786 -4.724 -8.849 1.00 0.93 C ATOM 792 CD1 PHE A 66 1.111 -3.464 -9.334 1.00 0.94 C ATOM 793 CD2 PHE A 66 1.636 -5.789 -9.129 1.00 0.97 C ATOM 794 CE1 PHE A 66 2.263 -3.265 -10.094 1.00 0.99 C ATOM 795 CE2 PHE A 66 2.792 -5.602 -9.889 1.00 1.02 C ATOM 796 CZ PHE A 66 3.104 -4.337 -10.372 1.00 1.03 C ATOM 0 H PHE A 66 -3.354 -5.636 -8.138 1.00 0.91 H new ATOM 0 HA PHE A 66 -1.638 -3.421 -8.995 1.00 0.94 H new ATOM 0 HB2 PHE A 66 -0.390 -4.388 -7.117 1.00 0.89 H new ATOM 0 HB3 PHE A 66 -0.557 -5.991 -7.806 1.00 0.89 H new ATOM 0 HD1 PHE A 66 0.463 -2.627 -9.120 1.00 0.94 H new ATOM 0 HD2 PHE A 66 1.399 -6.773 -8.754 1.00 0.97 H new ATOM 0 HE1 PHE A 66 2.502 -2.280 -10.466 1.00 0.99 H new ATOM 0 HE2 PHE A 66 3.442 -6.438 -10.101 1.00 1.02 H new ATOM 0 HZ PHE A 66 3.997 -4.187 -10.961 1.00 1.03 H new ATOM 806 N GLU A 67 -1.424 -4.687 -11.199 1.00 1.10 N ATOM 807 CA GLU A 67 -1.544 -5.329 -12.505 1.00 1.20 C ATOM 808 C GLU A 67 -2.983 -5.802 -12.683 1.00 1.24 C ATOM 809 O GLU A 67 -3.249 -6.797 -13.360 1.00 1.30 O ATOM 810 CB GLU A 67 -0.596 -6.527 -12.616 1.00 1.22 C ATOM 811 CG GLU A 67 0.882 -6.178 -12.758 1.00 1.21 C ATOM 812 CD GLU A 67 1.767 -7.415 -12.904 1.00 1.25 C ATOM 813 OE1 GLU A 67 1.786 -8.252 -11.975 1.00 1.21 O ATOM 814 OE2 GLU A 67 2.445 -7.551 -13.949 1.00 1.32 O ATOM 0 H GLU A 67 -0.963 -3.777 -11.215 1.00 1.10 H new ATOM 0 HA GLU A 67 -1.277 -4.611 -13.281 1.00 1.20 H new ATOM 0 HB2 GLU A 67 -0.721 -7.152 -11.732 1.00 1.22 H new ATOM 0 HB3 GLU A 67 -0.895 -7.127 -13.475 1.00 1.22 H new ATOM 0 HG2 GLU A 67 1.018 -5.534 -13.627 1.00 1.21 H new ATOM 0 HG3 GLU A 67 1.202 -5.608 -11.886 1.00 1.21 H new ATOM 821 N GLY A 68 -3.911 -5.084 -12.061 1.00 1.20 N ATOM 822 CA GLY A 68 -5.306 -5.453 -12.156 1.00 1.24 C ATOM 823 C GLY A 68 -5.690 -6.486 -11.116 1.00 1.20 C ATOM 824 O GLY A 68 -6.723 -6.353 -10.460 1.00 1.18 O ATOM 0 H GLY A 68 -3.721 -4.257 -11.495 1.00 1.20 H new ATOM 0 HA2 GLY A 68 -5.926 -4.565 -12.031 1.00 1.24 H new ATOM 0 HA3 GLY A 68 -5.510 -5.847 -13.152 1.00 1.24 H new ATOM 828 N GLN A 69 -4.859 -7.514 -10.951 1.00 1.20 N ATOM 829 CA GLN A 69 -5.151 -8.565 -9.980 1.00 1.17 C ATOM 830 C GLN A 69 -4.864 -8.186 -8.530 1.00 1.07 C ATOM 831 O GLN A 69 -3.957 -7.403 -8.239 1.00 1.01 O ATOM 832 CB GLN A 69 -4.406 -9.853 -10.348 1.00 1.22 C ATOM 833 CG GLN A 69 -4.932 -10.510 -11.619 1.00 1.32 C ATOM 834 CD GLN A 69 -4.482 -11.951 -11.777 1.00 1.37 C ATOM 835 OE1 GLN A 69 -3.288 -12.241 -11.820 1.00 1.36 O ATOM 836 NE2 GLN A 69 -5.446 -12.863 -11.868 1.00 1.43 N ATOM 0 H GLN A 69 -3.990 -7.641 -11.470 1.00 1.20 H new ATOM 0 HA GLN A 69 -6.228 -8.722 -10.036 1.00 1.17 H new ATOM 0 HB2 GLN A 69 -3.347 -9.629 -10.474 1.00 1.22 H new ATOM 0 HB3 GLN A 69 -4.486 -10.560 -9.522 1.00 1.22 H new ATOM 0 HG2 GLN A 69 -6.021 -10.475 -11.615 1.00 1.32 H new ATOM 0 HG3 GLN A 69 -4.598 -9.935 -12.483 1.00 1.32 H new ATOM 0 HE21 GLN A 69 -6.424 -12.577 -11.827 1.00 1.43 H new ATOM 0 HE22 GLN A 69 -5.207 -13.848 -11.978 1.00 1.43 H new ATOM 845 N ARG A 70 -5.654 -8.763 -7.630 1.00 1.06 N ATOM 846 CA ARG A 70 -5.551 -8.513 -6.199 1.00 0.98 C ATOM 847 C ARG A 70 -4.147 -8.710 -5.639 1.00 0.93 C ATOM 848 O ARG A 70 -3.268 -9.252 -6.309 1.00 0.97 O ATOM 849 CB ARG A 70 -6.539 -9.412 -5.457 1.00 1.01 C ATOM 850 CG ARG A 70 -6.736 -9.061 -4.006 1.00 0.94 C ATOM 851 CD ARG A 70 -8.035 -9.643 -3.501 1.00 0.99 C ATOM 852 NE ARG A 70 -8.410 -9.082 -2.208 1.00 0.94 N ATOM 853 CZ ARG A 70 -9.612 -9.212 -1.657 1.00 0.98 C ATOM 854 NH1 ARG A 70 -10.562 -9.889 -2.292 1.00 1.06 N ATOM 855 NH2 ARG A 70 -9.869 -8.660 -0.477 1.00 0.94 N ATOM 0 H ARG A 70 -6.391 -9.424 -7.878 1.00 1.06 H new ATOM 0 HA ARG A 70 -5.792 -7.461 -6.046 1.00 0.98 H new ATOM 0 HB2 ARG A 70 -7.503 -9.366 -5.963 1.00 1.01 H new ATOM 0 HB3 ARG A 70 -6.193 -10.443 -5.524 1.00 1.01 H new ATOM 0 HG2 ARG A 70 -5.904 -9.444 -3.415 1.00 0.94 H new ATOM 0 HG3 ARG A 70 -6.742 -7.978 -3.884 1.00 0.94 H new ATOM 0 HD2 ARG A 70 -8.826 -9.450 -4.225 1.00 0.99 H new ATOM 0 HD3 ARG A 70 -7.940 -10.725 -3.414 1.00 0.99 H new ATOM 0 HE ARG A 70 -7.704 -8.556 -1.693 1.00 0.94 H new ATOM 0 HH11 ARG A 70 -10.368 -10.308 -3.201 1.00 1.06 H new ATOM 0 HH12 ARG A 70 -11.485 -9.990 -1.870 1.00 1.06 H new ATOM 0 HH21 ARG A 70 -9.143 -8.134 0.009 1.00 0.94 H new ATOM 0 HH22 ARG A 70 -10.793 -8.762 -0.057 1.00 0.94 H new ATOM 869 N ILE A 71 -3.943 -8.260 -4.404 1.00 0.85 N ATOM 870 CA ILE A 71 -2.648 -8.374 -3.744 1.00 0.81 C ATOM 871 C ILE A 71 -2.703 -9.239 -2.488 1.00 0.81 C ATOM 872 O ILE A 71 -3.504 -8.996 -1.580 1.00 0.79 O ATOM 873 CB ILE A 71 -2.084 -6.988 -3.362 1.00 0.73 C ATOM 874 CG1 ILE A 71 -1.656 -6.240 -4.626 1.00 0.75 C ATOM 875 CG2 ILE A 71 -0.914 -7.142 -2.404 1.00 0.69 C ATOM 876 CD1 ILE A 71 -1.078 -4.862 -4.363 1.00 0.68 C ATOM 0 H ILE A 71 -4.663 -7.811 -3.838 1.00 0.85 H new ATOM 0 HA ILE A 71 -1.991 -8.854 -4.470 1.00 0.81 H new ATOM 0 HB ILE A 71 -2.860 -6.410 -2.860 1.00 0.73 H new ATOM 0 HG12 ILE A 71 -0.915 -6.838 -5.156 1.00 0.75 H new ATOM 0 HG13 ILE A 71 -2.518 -6.141 -5.286 1.00 0.75 H new ATOM 0 HG21 ILE A 71 -0.526 -6.158 -2.143 1.00 0.69 H new ATOM 0 HG22 ILE A 71 -1.248 -7.652 -1.500 1.00 0.69 H new ATOM 0 HG23 ILE A 71 -0.128 -7.727 -2.881 1.00 0.69 H new ATOM 0 HD11 ILE A 71 -0.799 -4.398 -5.309 1.00 0.68 H new ATOM 0 HD12 ILE A 71 -1.823 -4.245 -3.861 1.00 0.68 H new ATOM 0 HD13 ILE A 71 -0.196 -4.952 -3.729 1.00 0.68 H new ATOM 888 N ALA A 72 -1.833 -10.247 -2.455 1.00 0.85 N ATOM 889 CA ALA A 72 -1.743 -11.172 -1.331 1.00 0.88 C ATOM 890 C ALA A 72 -1.260 -10.428 -0.101 1.00 0.82 C ATOM 891 O ALA A 72 -0.543 -9.434 -0.206 1.00 0.77 O ATOM 892 CB ALA A 72 -0.785 -12.320 -1.659 1.00 0.95 C ATOM 0 H ALA A 72 -1.172 -10.444 -3.207 1.00 0.85 H new ATOM 0 HA ALA A 72 -2.730 -11.591 -1.137 1.00 0.88 H new ATOM 0 HB1 ALA A 72 -0.729 -13.001 -0.810 1.00 0.95 H new ATOM 0 HB2 ALA A 72 -1.149 -12.859 -2.533 1.00 0.95 H new ATOM 0 HB3 ALA A 72 0.207 -11.918 -1.868 1.00 0.95 H new ATOM 898 N ASP A 73 -1.651 -10.921 1.066 1.00 0.85 N ATOM 899 CA ASP A 73 -1.268 -10.305 2.322 1.00 0.81 C ATOM 900 C ASP A 73 0.204 -10.570 2.651 1.00 0.84 C ATOM 901 O ASP A 73 0.823 -9.830 3.417 1.00 0.81 O ATOM 902 CB ASP A 73 -2.164 -10.840 3.435 1.00 0.86 C ATOM 903 CG ASP A 73 -2.249 -9.899 4.608 1.00 0.83 C ATOM 904 OD1 ASP A 73 -2.659 -8.736 4.402 1.00 0.76 O ATOM 905 OD2 ASP A 73 -1.911 -10.324 5.734 1.00 0.88 O ATOM 0 H ASP A 73 -2.236 -11.750 1.166 1.00 0.85 H new ATOM 0 HA ASP A 73 -1.393 -9.226 2.233 1.00 0.81 H new ATOM 0 HB2 ASP A 73 -3.165 -11.014 3.040 1.00 0.86 H new ATOM 0 HB3 ASP A 73 -1.783 -11.804 3.773 1.00 0.86 H new ATOM 910 N ASN A 74 0.756 -11.627 2.062 1.00 0.90 N ATOM 911 CA ASN A 74 2.153 -12.005 2.275 1.00 0.94 C ATOM 912 C ASN A 74 3.005 -11.620 1.077 1.00 0.92 C ATOM 913 O ASN A 74 4.215 -11.837 1.068 1.00 0.95 O ATOM 914 CB ASN A 74 2.262 -13.510 2.515 1.00 1.03 C ATOM 915 CG ASN A 74 1.692 -13.927 3.854 1.00 1.07 C ATOM 916 OD1 ASN A 74 1.416 -12.949 4.710 1.00 1.14 O flip ATOM 917 ND2 ASN A 74 1.509 -15.116 4.120 1.00 1.02 N flip ATOM 0 H ASN A 74 0.251 -12.244 1.426 1.00 0.90 H new ATOM 0 HA ASN A 74 2.518 -11.471 3.152 1.00 0.94 H new ATOM 0 HB2 ASN A 74 1.738 -14.040 1.720 1.00 1.03 H new ATOM 0 HB3 ASN A 74 3.309 -13.808 2.461 1.00 1.03 H new ATOM 0 HD21 ASN A 74 1.736 -15.833 3.431 1.00 1.02 H new ATOM 0 HD22 ASN A 74 1.131 -15.383 5.029 1.00 1.02 H new ATOM 924 N HIS A 75 2.357 -11.048 0.067 1.00 0.88 N ATOM 925 CA HIS A 75 3.029 -10.616 -1.154 1.00 0.87 C ATOM 926 C HIS A 75 4.216 -9.695 -0.857 1.00 0.84 C ATOM 927 O HIS A 75 4.393 -9.239 0.273 1.00 0.82 O ATOM 928 CB HIS A 75 2.034 -9.880 -2.059 1.00 0.83 C ATOM 929 CG HIS A 75 1.914 -10.465 -3.431 1.00 0.89 C ATOM 930 ND1 HIS A 75 0.837 -10.908 -4.121 1.00 0.94 N flip ATOM 931 CD2 HIS A 75 3.002 -10.653 -4.258 1.00 0.93 C flip ATOM 932 CE1 HIS A 75 1.288 -11.355 -5.337 1.00 1.00 C flip ATOM 933 NE2 HIS A 75 2.598 -11.190 -5.396 1.00 0.99 N flip ATOM 0 H HIS A 75 1.352 -10.871 0.072 1.00 0.88 H new ATOM 0 HA HIS A 75 3.409 -11.507 -1.654 1.00 0.87 H new ATOM 0 HB2 HIS A 75 1.053 -9.887 -1.585 1.00 0.83 H new ATOM 0 HB3 HIS A 75 2.339 -8.837 -2.145 1.00 0.83 H new ATOM 0 HD2 HIS A 75 4.023 -10.401 -4.014 1.00 0.93 H new ATOM 0 HE1 HIS A 75 0.672 -11.774 -6.119 1.00 1.00 H new ATOM 0 HE2 HIS A 75 3.195 -11.435 -6.185 1.00 0.99 H new ATOM 941 N THR A 76 5.016 -9.430 -1.887 1.00 0.86 N ATOM 942 CA THR A 76 6.188 -8.565 -1.793 1.00 0.86 C ATOM 943 C THR A 76 6.767 -8.523 -3.193 1.00 0.90 C ATOM 944 O THR A 76 6.687 -9.514 -3.911 1.00 0.95 O ATOM 945 CB THR A 76 7.261 -9.138 -0.837 1.00 0.91 C ATOM 946 OG1 THR A 76 6.757 -9.151 0.504 1.00 0.89 O ATOM 947 CG2 THR A 76 8.529 -8.295 -0.878 1.00 0.92 C ATOM 0 H THR A 76 4.867 -9.814 -2.820 1.00 0.86 H new ATOM 0 HA THR A 76 5.903 -7.587 -1.406 1.00 0.86 H new ATOM 0 HB THR A 76 7.497 -10.152 -1.160 1.00 0.91 H new ATOM 0 HG1 THR A 76 5.884 -8.706 0.530 1.00 0.89 H new ATOM 0 HG21 THR A 76 9.269 -8.717 -0.198 1.00 0.92 H new ATOM 0 HG22 THR A 76 8.930 -8.289 -1.892 1.00 0.92 H new ATOM 0 HG23 THR A 76 8.297 -7.274 -0.574 1.00 0.92 H new ATOM 955 N PRO A 77 7.345 -7.378 -3.607 1.00 0.88 N ATOM 956 CA PRO A 77 7.933 -7.255 -4.946 1.00 0.94 C ATOM 957 C PRO A 77 8.799 -8.466 -5.273 1.00 1.02 C ATOM 958 O PRO A 77 9.198 -8.679 -6.420 1.00 1.08 O ATOM 959 CB PRO A 77 8.737 -5.966 -4.846 1.00 0.93 C ATOM 960 CG PRO A 77 7.879 -5.135 -3.965 1.00 0.84 C ATOM 961 CD PRO A 77 7.471 -6.107 -2.870 1.00 0.83 C ATOM 0 HA PRO A 77 7.199 -7.222 -5.751 1.00 0.94 H new ATOM 0 HB2 PRO A 77 9.724 -6.133 -4.415 1.00 0.93 H new ATOM 0 HB3 PRO A 77 8.890 -5.504 -5.821 1.00 0.93 H new ATOM 0 HG2 PRO A 77 8.422 -4.279 -3.563 1.00 0.84 H new ATOM 0 HG3 PRO A 77 7.014 -4.742 -4.499 1.00 0.84 H new ATOM 0 HD2 PRO A 77 8.220 -6.168 -2.081 1.00 0.83 H new ATOM 0 HD3 PRO A 77 6.533 -5.816 -2.398 1.00 0.83 H new ATOM 969 N LYS A 78 9.084 -9.250 -4.237 1.00 1.03 N ATOM 970 CA LYS A 78 9.866 -10.470 -4.356 1.00 1.11 C ATOM 971 C LYS A 78 9.084 -11.398 -5.280 1.00 1.14 C ATOM 972 O LYS A 78 9.643 -12.304 -5.899 1.00 1.21 O ATOM 973 CB LYS A 78 10.027 -11.111 -2.973 1.00 1.12 C ATOM 974 CG LYS A 78 10.766 -12.442 -2.956 1.00 1.20 C ATOM 975 CD LYS A 78 10.770 -13.041 -1.553 1.00 1.22 C ATOM 976 CE LYS A 78 11.404 -14.423 -1.533 1.00 1.31 C ATOM 977 NZ LYS A 78 11.326 -15.053 -0.183 1.00 1.33 N ATOM 0 H LYS A 78 8.775 -9.052 -3.285 1.00 1.03 H new ATOM 0 HA LYS A 78 10.861 -10.273 -4.754 1.00 1.11 H new ATOM 0 HB2 LYS A 78 10.556 -10.412 -2.326 1.00 1.12 H new ATOM 0 HB3 LYS A 78 9.037 -11.258 -2.541 1.00 1.12 H new ATOM 0 HG2 LYS A 78 10.292 -13.135 -3.651 1.00 1.20 H new ATOM 0 HG3 LYS A 78 11.791 -12.299 -3.298 1.00 1.20 H new ATOM 0 HD2 LYS A 78 11.314 -12.381 -0.877 1.00 1.22 H new ATOM 0 HD3 LYS A 78 9.747 -13.104 -1.182 1.00 1.22 H new ATOM 0 HE2 LYS A 78 10.904 -15.062 -2.261 1.00 1.31 H new ATOM 0 HE3 LYS A 78 12.448 -14.348 -1.838 1.00 1.31 H new ATOM 0 HZ1 LYS A 78 11.769 -15.993 -0.213 1.00 1.33 H new ATOM 0 HZ2 LYS A 78 11.825 -14.457 0.508 1.00 1.33 H new ATOM 0 HZ3 LYS A 78 10.329 -15.149 0.098 1.00 1.33 H new ATOM 991 N GLU A 79 7.781 -11.147 -5.371 1.00 1.09 N ATOM 992 CA GLU A 79 6.887 -11.941 -6.198 1.00 1.13 C ATOM 993 C GLU A 79 6.281 -11.122 -7.334 1.00 1.12 C ATOM 994 O GLU A 79 6.026 -11.649 -8.417 1.00 1.18 O ATOM 995 CB GLU A 79 5.757 -12.509 -5.337 1.00 1.10 C ATOM 996 CG GLU A 79 6.225 -13.217 -4.081 1.00 1.12 C ATOM 997 CD GLU A 79 7.114 -14.404 -4.382 1.00 1.20 C ATOM 998 OE1 GLU A 79 6.675 -15.301 -5.133 1.00 1.25 O ATOM 999 OE2 GLU A 79 8.250 -14.443 -3.865 1.00 1.23 O ATOM 0 H GLU A 79 7.318 -10.387 -4.872 1.00 1.09 H new ATOM 0 HA GLU A 79 7.476 -12.746 -6.636 1.00 1.13 H new ATOM 0 HB2 GLU A 79 5.088 -11.696 -5.054 1.00 1.10 H new ATOM 0 HB3 GLU A 79 5.174 -13.207 -5.938 1.00 1.10 H new ATOM 0 HG2 GLU A 79 6.767 -12.512 -3.451 1.00 1.12 H new ATOM 0 HG3 GLU A 79 5.358 -13.552 -3.512 1.00 1.12 H new ATOM 1006 N LEU A 80 6.053 -9.832 -7.086 1.00 1.06 N ATOM 1007 CA LEU A 80 5.453 -8.941 -8.080 1.00 1.05 C ATOM 1008 C LEU A 80 6.446 -8.251 -9.000 1.00 1.10 C ATOM 1009 O LEU A 80 6.052 -7.653 -10.003 1.00 1.12 O ATOM 1010 CB LEU A 80 4.605 -7.879 -7.383 1.00 0.97 C ATOM 1011 CG LEU A 80 3.329 -8.397 -6.730 1.00 0.94 C ATOM 1012 CD1 LEU A 80 2.623 -7.282 -5.978 1.00 0.85 C ATOM 1013 CD2 LEU A 80 2.432 -8.972 -7.808 1.00 1.00 C ATOM 0 H LEU A 80 6.276 -9.379 -6.200 1.00 1.06 H new ATOM 0 HA LEU A 80 4.845 -9.587 -8.714 1.00 1.05 H new ATOM 0 HB2 LEU A 80 5.214 -7.393 -6.620 1.00 0.97 H new ATOM 0 HB3 LEU A 80 4.337 -7.114 -8.112 1.00 0.97 H new ATOM 0 HG LEU A 80 3.575 -9.175 -6.008 1.00 0.94 H new ATOM 0 HD11 LEU A 80 1.714 -7.671 -5.519 1.00 0.85 H new ATOM 0 HD12 LEU A 80 3.283 -6.891 -5.203 1.00 0.85 H new ATOM 0 HD13 LEU A 80 2.365 -6.482 -6.672 1.00 0.85 H new ATOM 0 HD21 LEU A 80 1.514 -9.347 -7.356 1.00 1.00 H new ATOM 0 HD22 LEU A 80 2.188 -8.194 -8.532 1.00 1.00 H new ATOM 0 HD23 LEU A 80 2.948 -9.789 -8.313 1.00 1.00 H new ATOM 1025 N GLY A 81 7.727 -8.328 -8.657 1.00 1.11 N ATOM 1026 CA GLY A 81 8.743 -7.696 -9.477 1.00 1.16 C ATOM 1027 C GLY A 81 8.406 -6.245 -9.763 1.00 1.13 C ATOM 1028 O GLY A 81 8.770 -5.699 -10.803 1.00 1.18 O ATOM 0 H GLY A 81 8.078 -8.813 -7.831 1.00 1.11 H new ATOM 0 HA2 GLY A 81 9.707 -7.754 -8.972 1.00 1.16 H new ATOM 0 HA3 GLY A 81 8.843 -8.239 -10.417 1.00 1.16 H new ATOM 1032 N MET A 82 7.699 -5.621 -8.832 1.00 1.05 N ATOM 1033 CA MET A 82 7.315 -4.231 -8.989 1.00 1.02 C ATOM 1034 C MET A 82 8.553 -3.346 -9.047 1.00 1.05 C ATOM 1035 O MET A 82 9.325 -3.291 -8.091 1.00 1.02 O ATOM 1036 CB MET A 82 6.432 -3.791 -7.818 1.00 0.93 C ATOM 1037 CG MET A 82 5.180 -4.631 -7.627 1.00 0.90 C ATOM 1038 SD MET A 82 4.049 -3.948 -6.389 1.00 0.80 S ATOM 1039 CE MET A 82 4.628 -4.753 -4.901 1.00 0.76 C ATOM 0 H MET A 82 7.382 -6.055 -7.965 1.00 1.05 H new ATOM 0 HA MET A 82 6.757 -4.131 -9.920 1.00 1.02 H new ATOM 0 HB2 MET A 82 7.021 -3.825 -6.902 1.00 0.93 H new ATOM 0 HB3 MET A 82 6.139 -2.752 -7.970 1.00 0.93 H new ATOM 0 HG2 MET A 82 4.658 -4.716 -8.580 1.00 0.90 H new ATOM 0 HG3 MET A 82 5.468 -5.640 -7.330 1.00 0.90 H new ATOM 0 HE1 MET A 82 3.774 -5.074 -4.305 1.00 0.76 H new ATOM 0 HE2 MET A 82 5.231 -5.621 -5.168 1.00 0.76 H new ATOM 0 HE3 MET A 82 5.233 -4.055 -4.322 1.00 0.76 H new ATOM 1049 N GLU A 83 8.748 -2.661 -10.172 1.00 1.11 N ATOM 1050 CA GLU A 83 9.888 -1.762 -10.327 1.00 1.14 C ATOM 1051 C GLU A 83 9.613 -0.519 -9.484 1.00 1.08 C ATOM 1052 O GLU A 83 8.899 -0.587 -8.484 1.00 1.01 O ATOM 1053 CB GLU A 83 10.063 -1.377 -11.794 1.00 1.23 C ATOM 1054 CG GLU A 83 11.354 -1.937 -12.467 1.00 1.31 C ATOM 1055 CD GLU A 83 11.482 -1.596 -13.956 1.00 1.40 C ATOM 1056 OE1 GLU A 83 11.008 -2.398 -14.801 1.00 1.44 O ATOM 1057 OE2 GLU A 83 12.083 -0.543 -14.285 1.00 1.43 O ATOM 0 H GLU A 83 8.135 -2.711 -10.985 1.00 1.11 H new ATOM 0 HA GLU A 83 10.806 -2.250 -9.999 1.00 1.14 H new ATOM 0 HB2 GLU A 83 9.196 -1.729 -12.353 1.00 1.23 H new ATOM 0 HB3 GLU A 83 10.072 -0.290 -11.871 1.00 1.23 H new ATOM 0 HG2 GLU A 83 12.224 -1.546 -11.940 1.00 1.31 H new ATOM 0 HG3 GLU A 83 11.371 -3.021 -12.351 1.00 1.31 H new ATOM 1064 N GLU A 84 10.183 0.614 -9.875 1.00 1.12 N ATOM 1065 CA GLU A 84 9.945 1.847 -9.136 1.00 1.08 C ATOM 1066 C GLU A 84 8.819 2.565 -9.861 1.00 1.09 C ATOM 1067 O GLU A 84 8.454 2.183 -10.975 1.00 1.14 O ATOM 1068 CB GLU A 84 11.191 2.741 -9.126 1.00 1.14 C ATOM 1069 CG GLU A 84 12.500 2.046 -8.762 1.00 1.17 C ATOM 1070 CD GLU A 84 13.185 1.413 -9.966 1.00 1.25 C ATOM 1071 OE1 GLU A 84 13.509 2.150 -10.923 1.00 1.31 O ATOM 1072 OE2 GLU A 84 13.406 0.183 -9.952 1.00 1.25 O ATOM 0 H GLU A 84 10.800 0.705 -10.682 1.00 1.12 H new ATOM 0 HA GLU A 84 9.696 1.625 -8.098 1.00 1.08 H new ATOM 0 HB2 GLU A 84 11.301 3.190 -10.113 1.00 1.14 H new ATOM 0 HB3 GLU A 84 11.025 3.556 -8.422 1.00 1.14 H new ATOM 0 HG2 GLU A 84 13.175 2.769 -8.304 1.00 1.17 H new ATOM 0 HG3 GLU A 84 12.303 1.277 -8.016 1.00 1.17 H new ATOM 1079 N GLU A 85 8.261 3.593 -9.231 1.00 1.05 N ATOM 1080 CA GLU A 85 7.182 4.376 -9.834 1.00 1.07 C ATOM 1081 C GLU A 85 5.883 3.586 -9.997 1.00 1.04 C ATOM 1082 O GLU A 85 4.884 4.120 -10.480 1.00 1.06 O ATOM 1083 CB GLU A 85 7.634 4.911 -11.201 1.00 1.17 C ATOM 1084 CG GLU A 85 6.653 5.862 -11.869 1.00 1.21 C ATOM 1085 CD GLU A 85 6.485 7.152 -11.097 1.00 1.19 C ATOM 1086 OE1 GLU A 85 7.478 7.898 -10.969 1.00 1.22 O ATOM 1087 OE2 GLU A 85 5.363 7.418 -10.617 1.00 1.14 O ATOM 0 H GLU A 85 8.537 3.906 -8.300 1.00 1.05 H new ATOM 0 HA GLU A 85 6.969 5.198 -9.151 1.00 1.07 H new ATOM 0 HB2 GLU A 85 8.588 5.423 -11.078 1.00 1.17 H new ATOM 0 HB3 GLU A 85 7.810 4.066 -11.866 1.00 1.17 H new ATOM 0 HG2 GLU A 85 6.999 6.088 -12.878 1.00 1.21 H new ATOM 0 HG3 GLU A 85 5.685 5.371 -11.967 1.00 1.21 H new ATOM 1094 N ASP A 86 5.896 2.319 -9.598 1.00 1.00 N ATOM 1095 CA ASP A 86 4.707 1.480 -9.707 1.00 0.97 C ATOM 1096 C ASP A 86 3.481 2.160 -9.131 1.00 0.92 C ATOM 1097 O ASP A 86 3.567 3.241 -8.546 1.00 0.90 O ATOM 1098 CB ASP A 86 4.919 0.149 -8.987 1.00 0.93 C ATOM 1099 CG ASP A 86 5.291 -0.966 -9.933 1.00 1.00 C ATOM 1100 OD1 ASP A 86 4.503 -1.238 -10.862 1.00 1.05 O ATOM 1101 OD2 ASP A 86 6.367 -1.573 -9.750 1.00 1.01 O ATOM 0 H ASP A 86 6.710 1.852 -9.199 1.00 1.00 H new ATOM 0 HA ASP A 86 4.541 1.305 -10.770 1.00 0.97 H new ATOM 0 HB2 ASP A 86 5.704 0.265 -8.240 1.00 0.93 H new ATOM 0 HB3 ASP A 86 4.008 -0.121 -8.453 1.00 0.93 H new ATOM 1106 N VAL A 87 2.332 1.513 -9.294 1.00 0.92 N ATOM 1107 CA VAL A 87 1.078 2.049 -8.791 1.00 0.88 C ATOM 1108 C VAL A 87 0.230 0.951 -8.174 1.00 0.83 C ATOM 1109 O VAL A 87 0.272 -0.197 -8.609 1.00 0.86 O ATOM 1110 CB VAL A 87 0.262 2.718 -9.920 1.00 0.97 C ATOM 1111 CG1 VAL A 87 -1.110 3.123 -9.408 1.00 0.94 C ATOM 1112 CG2 VAL A 87 1.006 3.932 -10.448 1.00 1.02 C ATOM 0 H VAL A 87 2.246 0.616 -9.771 1.00 0.92 H new ATOM 0 HA VAL A 87 1.330 2.792 -8.035 1.00 0.88 H new ATOM 0 HB VAL A 87 0.132 2.003 -10.733 1.00 0.97 H new ATOM 0 HG11 VAL A 87 -1.675 3.593 -10.213 1.00 0.94 H new ATOM 0 HG12 VAL A 87 -1.644 2.239 -9.059 1.00 0.94 H new ATOM 0 HG13 VAL A 87 -0.997 3.828 -8.584 1.00 0.94 H new ATOM 0 HG21 VAL A 87 0.424 4.398 -11.243 1.00 1.02 H new ATOM 0 HG22 VAL A 87 1.154 4.648 -9.640 1.00 1.02 H new ATOM 0 HG23 VAL A 87 1.975 3.623 -10.840 1.00 1.02 H new ATOM 1122 N ILE A 88 -0.522 1.310 -7.141 1.00 0.76 N ATOM 1123 CA ILE A 88 -1.416 0.375 -6.481 1.00 0.72 C ATOM 1124 C ILE A 88 -2.765 1.058 -6.355 1.00 0.73 C ATOM 1125 O ILE A 88 -2.844 2.246 -6.037 1.00 0.72 O ATOM 1126 CB ILE A 88 -0.936 -0.024 -5.064 1.00 0.62 C ATOM 1127 CG1 ILE A 88 0.354 -0.838 -5.146 1.00 0.63 C ATOM 1128 CG2 ILE A 88 -2.001 -0.870 -4.379 1.00 0.60 C ATOM 1129 CD1 ILE A 88 0.822 -1.388 -3.805 1.00 0.56 C ATOM 0 H ILE A 88 -0.528 2.249 -6.742 1.00 0.76 H new ATOM 0 HA ILE A 88 -1.456 -0.538 -7.075 1.00 0.72 H new ATOM 0 HB ILE A 88 -0.755 0.888 -4.494 1.00 0.62 H new ATOM 0 HG12 ILE A 88 0.205 -1.668 -5.836 1.00 0.63 H new ATOM 0 HG13 ILE A 88 1.141 -0.212 -5.566 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -1.659 -1.148 -3.382 1.00 0.60 H new ATOM 0 HG22 ILE A 88 -2.925 -0.297 -4.299 1.00 0.60 H new ATOM 0 HG23 ILE A 88 -2.183 -1.771 -4.965 1.00 0.60 H new ATOM 0 HD11 ILE A 88 1.743 -1.954 -3.945 1.00 0.56 H new ATOM 0 HD12 ILE A 88 1.005 -0.563 -3.117 1.00 0.56 H new ATOM 0 HD13 ILE A 88 0.054 -2.042 -3.392 1.00 0.56 H new ATOM 1141 N GLU A 89 -3.825 0.303 -6.624 1.00 0.77 N ATOM 1142 CA GLU A 89 -5.179 0.822 -6.535 1.00 0.80 C ATOM 1143 C GLU A 89 -5.832 0.269 -5.280 1.00 0.74 C ATOM 1144 O GLU A 89 -5.610 -0.886 -4.917 1.00 0.72 O ATOM 1145 CB GLU A 89 -6.001 0.393 -7.754 1.00 0.90 C ATOM 1146 CG GLU A 89 -6.484 1.539 -8.632 1.00 0.98 C ATOM 1147 CD GLU A 89 -5.410 2.053 -9.572 1.00 1.02 C ATOM 1148 OE1 GLU A 89 -4.960 1.266 -10.436 1.00 1.06 O ATOM 1149 OE2 GLU A 89 -5.018 3.236 -9.450 1.00 1.01 O ATOM 0 H GLU A 89 -3.768 -0.675 -6.907 1.00 0.77 H new ATOM 0 HA GLU A 89 -5.141 1.911 -6.501 1.00 0.80 H new ATOM 0 HB2 GLU A 89 -5.399 -0.283 -8.361 1.00 0.90 H new ATOM 0 HB3 GLU A 89 -6.867 -0.173 -7.410 1.00 0.90 H new ATOM 0 HG2 GLU A 89 -7.342 1.206 -9.216 1.00 0.98 H new ATOM 0 HG3 GLU A 89 -6.827 2.357 -7.998 1.00 0.98 H new ATOM 1156 N VAL A 90 -6.622 1.096 -4.609 1.00 0.73 N ATOM 1157 CA VAL A 90 -7.321 0.658 -3.410 1.00 0.69 C ATOM 1158 C VAL A 90 -8.800 0.865 -3.683 1.00 0.77 C ATOM 1159 O VAL A 90 -9.203 1.909 -4.197 1.00 0.82 O ATOM 1160 CB VAL A 90 -6.937 1.487 -2.160 1.00 0.61 C ATOM 1161 CG1 VAL A 90 -7.514 0.840 -0.907 1.00 0.59 C ATOM 1162 CG2 VAL A 90 -5.435 1.599 -2.048 1.00 0.54 C ATOM 0 H VAL A 90 -6.794 2.066 -4.872 1.00 0.73 H new ATOM 0 HA VAL A 90 -7.059 -0.379 -3.201 1.00 0.69 H new ATOM 0 HB VAL A 90 -7.353 2.489 -2.261 1.00 0.61 H new ATOM 0 HG11 VAL A 90 -7.239 1.430 -0.033 1.00 0.59 H new ATOM 0 HG12 VAL A 90 -8.600 0.796 -0.988 1.00 0.59 H new ATOM 0 HG13 VAL A 90 -7.117 -0.170 -0.803 1.00 0.59 H new ATOM 0 HG21 VAL A 90 -5.179 2.184 -1.165 1.00 0.54 H new ATOM 0 HG22 VAL A 90 -5.001 0.603 -1.962 1.00 0.54 H new ATOM 0 HG23 VAL A 90 -5.040 2.091 -2.937 1.00 0.54 H new ATOM 1172 N TYR A 91 -9.605 -0.137 -3.359 1.00 0.80 N ATOM 1173 CA TYR A 91 -11.033 -0.026 -3.572 1.00 0.88 C ATOM 1174 C TYR A 91 -11.764 -0.314 -2.279 1.00 0.87 C ATOM 1175 O TYR A 91 -11.401 -1.229 -1.546 1.00 0.83 O ATOM 1176 CB TYR A 91 -11.500 -1.007 -4.644 1.00 0.96 C ATOM 1177 CG TYR A 91 -10.936 -0.741 -6.020 1.00 1.00 C ATOM 1178 CD1 TYR A 91 -9.623 -1.086 -6.337 1.00 0.96 C ATOM 1179 CD2 TYR A 91 -11.720 -0.145 -7.007 1.00 1.08 C ATOM 1180 CE1 TYR A 91 -9.102 -0.845 -7.609 1.00 1.01 C ATOM 1181 CE2 TYR A 91 -11.208 0.100 -8.283 1.00 1.13 C ATOM 1182 CZ TYR A 91 -9.900 -0.252 -8.578 1.00 1.10 C ATOM 1183 OH TYR A 91 -9.388 -0.012 -9.837 1.00 1.15 O ATOM 0 H TYR A 91 -9.296 -1.021 -2.954 1.00 0.80 H new ATOM 0 HA TYR A 91 -11.253 0.988 -3.906 1.00 0.88 H new ATOM 0 HB2 TYR A 91 -11.224 -2.017 -4.340 1.00 0.96 H new ATOM 0 HB3 TYR A 91 -12.588 -0.976 -4.698 1.00 0.96 H new ATOM 0 HD1 TYR A 91 -8.999 -1.547 -5.586 1.00 0.96 H new ATOM 0 HD2 TYR A 91 -12.739 0.132 -6.781 1.00 1.08 H new ATOM 0 HE1 TYR A 91 -8.083 -1.119 -7.839 1.00 1.01 H new ATOM 0 HE2 TYR A 91 -11.828 0.562 -9.037 1.00 1.13 H new ATOM 0 HH TYR A 91 -10.076 0.407 -10.396 1.00 1.15 H new ATOM 1193 N GLN A 92 -12.782 0.492 -1.996 1.00 0.91 N ATOM 1194 CA GLN A 92 -13.594 0.310 -0.802 1.00 0.92 C ATOM 1195 C GLN A 92 -14.170 -1.095 -0.930 1.00 0.97 C ATOM 1196 O GLN A 92 -14.628 -1.486 -2.009 1.00 1.03 O ATOM 1197 CB GLN A 92 -14.704 1.368 -0.774 1.00 0.98 C ATOM 1198 CG GLN A 92 -15.820 1.145 0.242 1.00 1.02 C ATOM 1199 CD GLN A 92 -15.350 1.158 1.684 1.00 0.97 C ATOM 1200 OE1 GLN A 92 -14.373 1.827 2.030 1.00 0.91 O ATOM 1201 NE2 GLN A 92 -16.062 0.430 2.541 1.00 1.01 N ATOM 0 H GLN A 92 -13.064 1.279 -2.580 1.00 0.91 H new ATOM 0 HA GLN A 92 -13.027 0.422 0.122 1.00 0.92 H new ATOM 0 HB2 GLN A 92 -14.248 2.338 -0.575 1.00 0.98 H new ATOM 0 HB3 GLN A 92 -15.150 1.423 -1.767 1.00 0.98 H new ATOM 0 HG2 GLN A 92 -16.578 1.917 0.110 1.00 1.02 H new ATOM 0 HG3 GLN A 92 -16.300 0.189 0.035 1.00 1.02 H new ATOM 0 HE21 GLN A 92 -16.863 -0.108 2.210 1.00 1.01 H new ATOM 0 HE22 GLN A 92 -15.807 0.410 3.528 1.00 1.01 H new ATOM 1210 N GLU A 93 -14.124 -1.870 0.150 1.00 0.95 N ATOM 1211 CA GLU A 93 -14.644 -3.227 0.090 1.00 1.00 C ATOM 1212 C GLU A 93 -16.159 -3.213 0.205 1.00 1.09 C ATOM 1213 O GLU A 93 -16.739 -2.425 0.956 1.00 1.10 O ATOM 1214 CB GLU A 93 -14.034 -4.101 1.188 1.00 0.97 C ATOM 1215 CG GLU A 93 -14.183 -5.595 0.908 1.00 1.02 C ATOM 1216 CD GLU A 93 -13.533 -6.012 -0.410 1.00 1.02 C ATOM 1217 OE1 GLU A 93 -12.295 -6.202 -0.437 1.00 0.96 O ATOM 1218 OE2 GLU A 93 -14.266 -6.138 -1.420 1.00 1.08 O ATOM 0 H GLU A 93 -13.742 -1.590 1.053 1.00 0.95 H new ATOM 0 HA GLU A 93 -14.366 -3.655 -0.873 1.00 1.00 H new ATOM 0 HB2 GLU A 93 -12.976 -3.860 1.292 1.00 0.97 H new ATOM 0 HB3 GLU A 93 -14.510 -3.865 2.140 1.00 0.97 H new ATOM 0 HG2 GLU A 93 -13.735 -6.161 1.725 1.00 1.02 H new ATOM 0 HG3 GLU A 93 -15.242 -5.853 0.885 1.00 1.02 H new ATOM 1225 N GLN A 94 -16.787 -4.109 -0.551 1.00 1.16 N ATOM 1226 CA GLN A 94 -18.238 -4.211 -0.597 1.00 1.25 C ATOM 1227 C GLN A 94 -18.634 -5.637 -0.942 1.00 1.31 C ATOM 1228 O GLN A 94 -17.780 -6.459 -1.277 1.00 1.28 O ATOM 1229 CB GLN A 94 -18.750 -3.284 -1.683 1.00 1.29 C ATOM 1230 CG GLN A 94 -18.197 -3.668 -3.043 1.00 1.30 C ATOM 1231 CD GLN A 94 -18.461 -2.630 -4.096 1.00 1.33 C ATOM 1232 OE1 GLN A 94 -17.916 -1.522 -4.050 1.00 1.29 O ATOM 1233 NE2 GLN A 94 -19.304 -2.975 -5.062 1.00 1.42 N ATOM 0 H GLN A 94 -16.304 -4.782 -1.146 1.00 1.16 H new ATOM 0 HA GLN A 94 -18.661 -3.938 0.370 1.00 1.25 H new ATOM 0 HB2 GLN A 94 -19.839 -3.317 -1.709 1.00 1.29 H new ATOM 0 HB3 GLN A 94 -18.468 -2.257 -1.450 1.00 1.29 H new ATOM 0 HG2 GLN A 94 -17.122 -3.829 -2.960 1.00 1.30 H new ATOM 0 HG3 GLN A 94 -18.638 -4.615 -3.355 1.00 1.30 H new ATOM 0 HE21 GLN A 94 -19.731 -3.901 -5.060 1.00 1.42 H new ATOM 0 HE22 GLN A 94 -19.525 -2.314 -5.806 1.00 1.42 H new ATOM 1242 N THR A 95 -19.936 -5.908 -0.873 1.00 1.39 N ATOM 1243 CA THR A 95 -20.500 -7.219 -1.190 1.00 1.45 C ATOM 1244 C THR A 95 -21.873 -7.005 -1.820 1.00 1.54 C ATOM 1245 O THR A 95 -22.426 -5.905 -1.753 1.00 1.55 O ATOM 1246 CB THR A 95 -20.686 -8.081 0.075 1.00 1.47 C ATOM 1247 OG1 THR A 95 -21.628 -7.448 0.951 1.00 1.49 O ATOM 1248 CG2 THR A 95 -19.361 -8.255 0.807 1.00 1.39 C ATOM 0 H THR A 95 -20.634 -5.219 -0.594 1.00 1.39 H new ATOM 0 HA THR A 95 -19.815 -7.735 -1.863 1.00 1.45 H new ATOM 0 HB THR A 95 -21.055 -9.062 -0.225 1.00 1.47 H new ATOM 0 HG1 THR A 95 -21.748 -7.997 1.754 1.00 1.49 H new ATOM 0 HG21 THR A 95 -19.514 -8.866 1.696 1.00 1.39 H new ATOM 0 HG22 THR A 95 -18.643 -8.745 0.149 1.00 1.39 H new ATOM 0 HG23 THR A 95 -18.976 -7.278 1.100 1.00 1.39 H new ATOM 1256 N GLY A 96 -22.424 -8.052 -2.428 1.00 1.61 N ATOM 1257 CA GLY A 96 -23.735 -7.931 -3.045 1.00 1.70 C ATOM 1258 C GLY A 96 -24.821 -7.692 -2.013 1.00 1.74 C ATOM 1259 O GLY A 96 -24.534 -7.410 -0.850 1.00 1.69 O ATOM 0 H GLY A 96 -21.992 -8.973 -2.505 1.00 1.61 H new ATOM 0 HA2 GLY A 96 -23.726 -7.109 -3.761 1.00 1.70 H new ATOM 0 HA3 GLY A 96 -23.959 -8.839 -3.605 1.00 1.70 H new ATOM 1263 N GLY A 97 -26.074 -7.803 -2.438 1.00 1.82 N ATOM 1264 CA GLY A 97 -27.219 -7.605 -1.546 1.00 1.87 C ATOM 1265 C GLY A 97 -28.422 -8.377 -2.082 1.00 1.97 C ATOM 1266 O GLY A 97 -28.361 -8.948 -3.174 1.00 2.00 O ATOM 0 H GLY A 97 -26.328 -8.030 -3.399 1.00 1.82 H new ATOM 0 HA2 GLY A 97 -26.973 -7.946 -0.540 1.00 1.87 H new ATOM 0 HA3 GLY A 97 -27.458 -6.544 -1.473 1.00 1.87 H new TER 1270 GLY A 97 ATOM 1271 N ASP B2705 13.870 -0.240 10.856 1.00 4.63 N ATOM 1272 CA ASP B2705 15.298 -0.020 10.512 1.00 4.28 C ATOM 1273 C ASP B2705 16.053 -1.343 10.457 1.00 3.25 C ATOM 1274 O ASP B2705 16.614 -1.705 9.422 1.00 3.36 O ATOM 1275 CB ASP B2705 15.947 0.911 11.540 1.00 4.99 C ATOM 1276 CG ASP B2705 17.426 1.127 11.283 1.00 5.76 C ATOM 1277 OD1 ASP B2705 17.763 1.859 10.330 1.00 6.16 O ATOM 1278 OD2 ASP B2705 18.248 0.562 12.036 1.00 6.28 O ATOM 0 HA ASP B2705 15.346 0.444 9.527 1.00 4.28 H new ATOM 0 HB2 ASP B2705 15.436 1.874 11.526 1.00 4.99 H new ATOM 0 HB3 ASP B2705 15.813 0.493 12.538 1.00 4.99 H new ATOM 1285 N ASN B2706 16.054 -2.064 11.574 1.00 2.76 N ATOM 1286 CA ASN B2706 16.747 -3.343 11.658 1.00 2.39 C ATOM 1287 C ASN B2706 15.917 -4.464 11.038 1.00 1.84 C ATOM 1288 O ASN B2706 16.371 -5.145 10.117 1.00 2.37 O ATOM 1289 CB ASN B2706 17.070 -3.671 13.120 1.00 2.90 C ATOM 1290 CG ASN B2706 17.950 -4.900 13.264 1.00 3.58 C ATOM 1291 OD1 ASN B2706 17.457 -6.019 13.397 1.00 3.87 O ATOM 1292 ND2 ASN B2706 19.262 -4.695 13.242 1.00 4.39 N ATOM 0 H ASN B2706 15.582 -1.783 12.434 1.00 2.76 H new ATOM 0 HA ASN B2706 17.677 -3.262 11.095 1.00 2.39 H new ATOM 0 HB2 ASN B2706 17.568 -2.817 13.578 1.00 2.90 H new ATOM 0 HB3 ASN B2706 16.140 -3.829 13.667 1.00 2.90 H new ATOM 0 HD21 ASN B2706 19.903 -5.483 13.338 1.00 4.39 H new ATOM 0 HD22 ASN B2706 19.629 -3.750 13.130 1.00 4.39 H new ATOM 1299 N GLU B2707 14.699 -4.647 11.540 1.00 1.74 N ATOM 1300 CA GLU B2707 13.816 -5.696 11.038 1.00 2.20 C ATOM 1301 C GLU B2707 13.045 -5.228 9.803 1.00 1.81 C ATOM 1302 O GLU B2707 13.340 -5.641 8.682 1.00 2.28 O ATOM 1303 CB GLU B2707 12.833 -6.134 12.131 1.00 3.18 C ATOM 1304 CG GLU B2707 13.493 -6.431 13.470 1.00 3.78 C ATOM 1305 CD GLU B2707 13.265 -5.329 14.489 1.00 3.83 C ATOM 1306 OE1 GLU B2707 13.992 -4.314 14.442 1.00 3.75 O ATOM 1307 OE2 GLU B2707 12.357 -5.480 15.333 1.00 4.39 O ATOM 0 H GLU B2707 14.301 -4.084 12.292 1.00 1.74 H new ATOM 0 HA GLU B2707 14.437 -6.545 10.752 1.00 2.20 H new ATOM 0 HB2 GLU B2707 12.087 -5.351 12.270 1.00 3.18 H new ATOM 0 HB3 GLU B2707 12.302 -7.024 11.793 1.00 3.18 H new ATOM 0 HG2 GLU B2707 13.104 -7.370 13.863 1.00 3.78 H new ATOM 0 HG3 GLU B2707 14.564 -6.567 13.321 1.00 3.78 H new ATOM 1314 N ILE B2708 12.062 -4.357 10.017 1.00 1.35 N ATOM 1315 CA ILE B2708 11.244 -3.833 8.926 1.00 1.26 C ATOM 1316 C ILE B2708 11.279 -2.308 8.912 1.00 0.89 C ATOM 1317 O ILE B2708 11.433 -1.678 9.958 1.00 1.03 O ATOM 1318 CB ILE B2708 9.777 -4.315 9.031 1.00 1.95 C ATOM 1319 CG1 ILE B2708 9.253 -4.176 10.466 1.00 2.57 C ATOM 1320 CG2 ILE B2708 9.656 -5.759 8.565 1.00 2.64 C ATOM 1321 CD1 ILE B2708 8.356 -2.975 10.676 1.00 3.48 C ATOM 0 H ILE B2708 11.812 -3.998 10.939 1.00 1.35 H new ATOM 0 HA ILE B2708 11.666 -4.214 7.996 1.00 1.26 H new ATOM 0 HB ILE B2708 9.169 -3.684 8.383 1.00 1.95 H new ATOM 0 HG12 ILE B2708 8.703 -5.079 10.731 1.00 2.57 H new ATOM 0 HG13 ILE B2708 10.101 -4.108 11.147 1.00 2.57 H new ATOM 0 HG21 ILE B2708 8.618 -6.082 8.646 1.00 2.64 H new ATOM 0 HG22 ILE B2708 9.980 -5.835 7.527 1.00 2.64 H new ATOM 0 HG23 ILE B2708 10.283 -6.396 9.188 1.00 2.64 H new ATOM 0 HD11 ILE B2708 8.026 -2.945 11.714 1.00 3.48 H new ATOM 0 HD12 ILE B2708 8.908 -2.064 10.444 1.00 3.48 H new ATOM 0 HD13 ILE B2708 7.488 -3.050 10.021 1.00 3.48 H new ATOM 1333 N GLU B2709 11.140 -1.715 7.727 1.00 0.95 N ATOM 1334 CA GLU B2709 11.165 -0.261 7.610 1.00 0.87 C ATOM 1335 C GLU B2709 10.375 0.227 6.403 1.00 0.65 C ATOM 1336 O GLU B2709 10.638 -0.169 5.266 1.00 0.80 O ATOM 1337 CB GLU B2709 12.609 0.234 7.522 1.00 1.45 C ATOM 1338 CG GLU B2709 12.743 1.744 7.626 1.00 2.04 C ATOM 1339 CD GLU B2709 14.164 2.180 7.915 1.00 2.40 C ATOM 1340 OE1 GLU B2709 15.053 1.901 7.084 1.00 2.91 O ATOM 1341 OE2 GLU B2709 14.390 2.793 8.979 1.00 2.74 O ATOM 0 H GLU B2709 11.011 -2.213 6.846 1.00 0.95 H new ATOM 0 HA GLU B2709 10.691 0.148 8.503 1.00 0.87 H new ATOM 0 HB2 GLU B2709 13.192 -0.230 8.318 1.00 1.45 H new ATOM 0 HB3 GLU B2709 13.040 -0.096 6.577 1.00 1.45 H new ATOM 0 HG2 GLU B2709 12.408 2.201 6.694 1.00 2.04 H new ATOM 0 HG3 GLU B2709 12.086 2.111 8.415 1.00 2.04 H new ATOM 1348 N VAL B2710 9.405 1.098 6.671 1.00 0.63 N ATOM 1349 CA VAL B2710 8.563 1.677 5.631 1.00 0.56 C ATOM 1350 C VAL B2710 8.358 3.166 5.898 1.00 0.52 C ATOM 1351 O VAL B2710 7.821 3.553 6.938 1.00 0.61 O ATOM 1352 CB VAL B2710 7.185 0.978 5.546 1.00 0.75 C ATOM 1353 CG1 VAL B2710 6.290 1.663 4.523 1.00 1.34 C ATOM 1354 CG2 VAL B2710 7.344 -0.498 5.206 1.00 1.24 C ATOM 0 H VAL B2710 9.182 1.421 7.613 1.00 0.63 H new ATOM 0 HA VAL B2710 9.074 1.532 4.679 1.00 0.56 H new ATOM 0 HB VAL B2710 6.711 1.056 6.525 1.00 0.75 H new ATOM 0 HG11 VAL B2710 5.328 1.153 4.482 1.00 1.34 H new ATOM 0 HG12 VAL B2710 6.138 2.703 4.811 1.00 1.34 H new ATOM 0 HG13 VAL B2710 6.763 1.624 3.542 1.00 1.34 H new ATOM 0 HG21 VAL B2710 6.361 -0.967 5.152 1.00 1.24 H new ATOM 0 HG22 VAL B2710 7.847 -0.598 4.244 1.00 1.24 H new ATOM 0 HG23 VAL B2710 7.938 -0.987 5.978 1.00 1.24 H new ATOM 1364 N ILE B2711 8.796 3.998 4.958 1.00 0.51 N ATOM 1365 CA ILE B2711 8.664 5.445 5.093 1.00 0.51 C ATOM 1366 C ILE B2711 7.592 5.984 4.163 1.00 0.52 C ATOM 1367 O ILE B2711 7.667 5.806 2.949 1.00 0.66 O ATOM 1368 CB ILE B2711 9.989 6.176 4.802 1.00 0.66 C ATOM 1369 CG1 ILE B2711 10.991 5.244 4.108 1.00 0.98 C ATOM 1370 CG2 ILE B2711 10.568 6.724 6.092 1.00 0.83 C ATOM 1371 CD1 ILE B2711 12.253 5.941 3.648 1.00 1.65 C ATOM 0 H ILE B2711 9.246 3.695 4.094 1.00 0.51 H new ATOM 0 HA ILE B2711 8.381 5.633 6.129 1.00 0.51 H new ATOM 0 HB ILE B2711 9.787 7.006 4.125 1.00 0.66 H new ATOM 0 HG12 ILE B2711 11.260 4.440 4.793 1.00 0.98 H new ATOM 0 HG13 ILE B2711 10.508 4.782 3.247 1.00 0.98 H new ATOM 0 HG21 ILE B2711 11.505 7.240 5.880 1.00 0.83 H new ATOM 0 HG22 ILE B2711 9.862 7.423 6.540 1.00 0.83 H new ATOM 0 HG23 ILE B2711 10.754 5.903 6.785 1.00 0.83 H new ATOM 0 HD11 ILE B2711 12.913 5.219 3.167 1.00 1.65 H new ATOM 0 HD12 ILE B2711 11.996 6.727 2.938 1.00 1.65 H new ATOM 0 HD13 ILE B2711 12.760 6.380 4.507 1.00 1.65 H new ATOM 1383 N ILE B2712 6.594 6.649 4.731 1.00 0.60 N ATOM 1384 CA ILE B2712 5.507 7.187 3.930 1.00 0.76 C ATOM 1385 C ILE B2712 5.288 8.681 4.170 1.00 0.66 C ATOM 1386 O ILE B2712 4.884 9.103 5.255 1.00 0.92 O ATOM 1387 CB ILE B2712 4.187 6.414 4.181 1.00 1.23 C ATOM 1388 CG1 ILE B2712 3.698 6.580 5.624 1.00 0.99 C ATOM 1389 CG2 ILE B2712 4.388 4.942 3.873 1.00 1.76 C ATOM 1390 CD1 ILE B2712 2.239 6.225 5.811 1.00 1.49 C ATOM 0 H ILE B2712 6.516 6.826 5.732 1.00 0.60 H new ATOM 0 HA ILE B2712 5.802 7.057 2.889 1.00 0.76 H new ATOM 0 HB ILE B2712 3.426 6.830 3.521 1.00 1.23 H new ATOM 0 HG12 ILE B2712 4.303 5.953 6.279 1.00 0.99 H new ATOM 0 HG13 ILE B2712 3.856 7.612 5.936 1.00 0.99 H new ATOM 0 HG21 ILE B2712 3.458 4.403 4.051 1.00 1.76 H new ATOM 0 HG22 ILE B2712 4.681 4.825 2.830 1.00 1.76 H new ATOM 0 HG23 ILE B2712 5.170 4.539 4.517 1.00 1.76 H new ATOM 0 HD11 ILE B2712 1.961 6.366 6.856 1.00 1.49 H new ATOM 0 HD12 ILE B2712 1.624 6.869 5.182 1.00 1.49 H new ATOM 0 HD13 ILE B2712 2.079 5.184 5.530 1.00 1.49 H new ATOM 1402 N VAL B2713 5.570 9.483 3.145 1.00 0.48 N ATOM 1403 CA VAL B2713 5.375 10.900 3.207 1.00 0.53 C ATOM 1404 C VAL B2713 5.022 11.437 1.826 1.00 0.46 C ATOM 1405 O VAL B2713 5.837 11.401 0.901 1.00 0.73 O ATOM 1406 CB VAL B2713 6.620 11.665 3.740 1.00 0.90 C ATOM 1407 CG1 VAL B2713 6.453 13.168 3.546 1.00 1.67 C ATOM 1408 CG2 VAL B2713 6.885 11.357 5.207 1.00 0.89 C ATOM 0 H VAL B2713 5.940 9.152 2.254 1.00 0.48 H new ATOM 0 HA VAL B2713 4.559 11.068 3.910 1.00 0.53 H new ATOM 0 HB VAL B2713 7.480 11.324 3.163 1.00 0.90 H new ATOM 0 HG11 VAL B2713 7.335 13.684 3.926 1.00 1.67 H new ATOM 0 HG12 VAL B2713 6.333 13.387 2.485 1.00 1.67 H new ATOM 0 HG13 VAL B2713 5.571 13.509 4.089 1.00 1.67 H new ATOM 0 HG21 VAL B2713 7.762 11.910 5.542 1.00 0.89 H new ATOM 0 HG22 VAL B2713 6.021 11.652 5.802 1.00 0.89 H new ATOM 0 HG23 VAL B2713 7.062 10.288 5.328 1.00 0.89 H new ATOM 1418 N TRP B2714 3.792 11.912 1.693 1.00 0.61 N ATOM 1419 CA TRP B2714 3.315 12.488 0.447 1.00 0.78 C ATOM 1420 C TRP B2714 3.522 13.998 0.419 1.00 0.59 C ATOM 1421 O TRP B2714 4.065 14.584 1.356 1.00 0.64 O ATOM 1422 CB TRP B2714 1.840 12.153 0.242 1.00 1.23 C ATOM 1423 CG TRP B2714 1.368 12.382 -1.166 1.00 1.60 C ATOM 1424 CD1 TRP B2714 1.913 11.886 -2.316 1.00 2.29 C ATOM 1425 CD2 TRP B2714 0.269 13.194 -1.565 1.00 1.43 C ATOM 1426 NE1 TRP B2714 1.213 12.344 -3.404 1.00 2.54 N ATOM 1427 CE2 TRP B2714 0.196 13.148 -2.968 1.00 1.99 C ATOM 1428 CE3 TRP B2714 -0.665 13.953 -0.865 1.00 1.04 C ATOM 1429 CZ2 TRP B2714 -0.778 13.840 -3.684 1.00 2.02 C ATOM 1430 CZ3 TRP B2714 -1.628 14.633 -1.573 1.00 1.13 C ATOM 1431 CH2 TRP B2714 -1.681 14.576 -2.968 1.00 1.52 C ATOM 0 H TRP B2714 3.100 11.909 2.443 1.00 0.61 H new ATOM 0 HA TRP B2714 3.896 12.055 -0.368 1.00 0.78 H new ATOM 0 HB2 TRP B2714 1.671 11.110 0.509 1.00 1.23 H new ATOM 0 HB3 TRP B2714 1.240 12.757 0.922 1.00 1.23 H new ATOM 0 HD1 TRP B2714 2.769 11.230 -2.362 1.00 2.29 H new ATOM 0 HE1 TRP B2714 1.418 12.121 -4.378 1.00 2.54 H new ATOM 0 HE3 TRP B2714 -0.634 14.007 0.213 1.00 1.04 H new ATOM 0 HZ2 TRP B2714 -0.818 13.797 -4.762 1.00 2.02 H new ATOM 0 HZ3 TRP B2714 -2.358 15.223 -1.040 1.00 1.13 H new ATOM 0 HH2 TRP B2714 -2.451 15.124 -3.491 1.00 1.52 H new ATOM 1442 N GLU B2715 3.075 14.612 -0.667 1.00 0.74 N ATOM 1443 CA GLU B2715 3.135 16.045 -0.829 1.00 0.90 C ATOM 1444 C GLU B2715 1.962 16.498 -1.699 1.00 1.00 C ATOM 1445 O GLU B2715 1.726 15.933 -2.767 1.00 1.22 O ATOM 1446 CB GLU B2715 4.464 16.467 -1.458 1.00 1.30 C ATOM 1447 CG GLU B2715 4.648 17.972 -1.536 1.00 1.65 C ATOM 1448 CD GLU B2715 5.897 18.366 -2.297 1.00 2.28 C ATOM 1449 OE1 GLU B2715 6.990 18.356 -1.692 1.00 2.78 O ATOM 1450 OE2 GLU B2715 5.784 18.684 -3.499 1.00 2.86 O ATOM 0 H GLU B2715 2.660 14.122 -1.460 1.00 0.74 H new ATOM 0 HA GLU B2715 3.067 16.519 0.150 1.00 0.90 H new ATOM 0 HB2 GLU B2715 5.283 16.039 -0.880 1.00 1.30 H new ATOM 0 HB3 GLU B2715 4.530 16.049 -2.462 1.00 1.30 H new ATOM 0 HG2 GLU B2715 3.777 18.417 -2.018 1.00 1.65 H new ATOM 0 HG3 GLU B2715 4.697 18.381 -0.527 1.00 1.65 H new ATOM 1457 N LYS B2716 1.233 17.520 -1.254 1.00 1.01 N ATOM 1458 CA LYS B2716 0.079 18.012 -2.008 1.00 1.14 C ATOM 1459 C LYS B2716 0.502 18.968 -3.114 1.00 1.54 C ATOM 1460 O LYS B2716 1.497 19.684 -2.988 1.00 1.82 O ATOM 1461 CB LYS B2716 -0.934 18.691 -1.081 1.00 1.14 C ATOM 1462 CG LYS B2716 -2.083 17.780 -0.662 1.00 1.00 C ATOM 1463 CD LYS B2716 -3.074 17.537 -1.797 1.00 1.13 C ATOM 1464 CE LYS B2716 -3.970 18.744 -2.028 1.00 1.91 C ATOM 1465 NZ LYS B2716 -4.948 18.505 -3.122 1.00 2.12 N ATOM 0 H LYS B2716 1.417 18.020 -0.384 1.00 1.01 H new ATOM 0 HA LYS B2716 -0.397 17.148 -2.471 1.00 1.14 H new ATOM 0 HB2 LYS B2716 -0.417 19.045 -0.189 1.00 1.14 H new ATOM 0 HB3 LYS B2716 -1.341 19.569 -1.582 1.00 1.14 H new ATOM 0 HG2 LYS B2716 -1.681 16.825 -0.323 1.00 1.00 H new ATOM 0 HG3 LYS B2716 -2.606 18.225 0.185 1.00 1.00 H new ATOM 0 HD2 LYS B2716 -2.529 17.307 -2.713 1.00 1.13 H new ATOM 0 HD3 LYS B2716 -3.688 16.667 -1.564 1.00 1.13 H new ATOM 0 HE2 LYS B2716 -4.505 18.981 -1.108 1.00 1.91 H new ATOM 0 HE3 LYS B2716 -3.356 19.611 -2.272 1.00 1.91 H new ATOM 0 HZ1 LYS B2716 -5.540 19.350 -3.249 1.00 2.12 H new ATOM 0 HZ2 LYS B2716 -4.438 18.304 -4.006 1.00 2.12 H new ATOM 0 HZ3 LYS B2716 -5.551 17.694 -2.878 1.00 2.12 H new ATOM 1479 N LYS B2717 -0.265 18.962 -4.201 1.00 1.64 N ATOM 1480 CA LYS B2717 0.012 19.815 -5.352 1.00 2.06 C ATOM 1481 C LYS B2717 -0.786 21.115 -5.271 1.00 2.07 C ATOM 1482 O LYS B2717 -1.995 21.089 -5.591 1.00 1.91 O ATOM 1483 CB LYS B2717 -0.333 19.068 -6.645 1.00 2.26 C ATOM 1484 CG LYS B2717 0.160 19.763 -7.908 1.00 2.77 C ATOM 1485 CD LYS B2717 -0.571 19.261 -9.146 1.00 3.42 C ATOM 1486 CE LYS B2717 -1.351 20.376 -9.828 1.00 4.08 C ATOM 1487 NZ LYS B2717 -2.430 20.918 -8.957 1.00 4.44 N ATOM 1488 OXT LYS B2717 -0.196 22.148 -4.892 1.00 2.51 O ATOM 0 H LYS B2717 -1.089 18.371 -4.308 1.00 1.64 H new ATOM 0 HA LYS B2717 1.073 20.065 -5.350 1.00 2.06 H new ATOM 0 HB2 LYS B2717 0.097 18.067 -6.601 1.00 2.26 H new ATOM 0 HB3 LYS B2717 -1.415 18.948 -6.706 1.00 2.26 H new ATOM 0 HG2 LYS B2717 0.016 20.839 -7.811 1.00 2.77 H new ATOM 0 HG3 LYS B2717 1.231 19.593 -8.023 1.00 2.77 H new ATOM 0 HD2 LYS B2717 0.148 18.838 -9.847 1.00 3.42 H new ATOM 0 HD3 LYS B2717 -1.253 18.458 -8.866 1.00 3.42 H new ATOM 0 HE2 LYS B2717 -0.668 21.180 -10.102 1.00 4.08 H new ATOM 0 HE3 LYS B2717 -1.787 19.999 -10.753 1.00 4.08 H new ATOM 0 HZ1 LYS B2717 -3.079 21.496 -9.528 1.00 4.44 H new ATOM 0 HZ2 LYS B2717 -2.955 20.131 -8.525 1.00 4.44 H new ATOM 0 HZ3 LYS B2717 -2.010 21.506 -8.209 1.00 4.44 H new TER 1502 LYS B2717