USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 782 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 26 CYS SG : rot 19:sc= -2 USER MOD Set 1.2: A 71 HIS : +bothHN:sc= -4.54! C(o=-6.5!,f=-9.1!) USER MOD Set 2.1: A 70 THR OG1 : rot 180:sc= 1.04 USER MOD Set 2.2: A 73 SER OG : rot -85:sc= 0.78 USER MOD Set 3.1: A 30 CYS SG : rot 180:sc= -0.296 USER MOD Set 3.2: A 93 CYS SG : rot -130:sc= -2.91 USER MOD Set 4.1: A 25 ASN :FLIP amide:sc= -0.305 F(o=-1.1,f=-0.3) USER MOD Set 4.2: A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.093 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00122 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0542 K(o=-0.054,f=-1.4) USER MOD Single : A 9 THR OG1 : rot 64:sc= 0.487 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0.045) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot -110:sc= -1.27 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.403 K(o=-0.4,f=-2.7!) USER MOD Single : A 42 MET CE :methyl 170:sc= -2.04 (180deg=-2.4) USER MOD Single : A 44 GLN : amide:sc= -0.137 K(o=-0.14,f=-2.3!) USER MOD Single : A 45 THR OG1 : rot 78:sc= 0.873 USER MOD Single : A 47 SER OG : rot 180:sc= -0.0825 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 MET CE :methyl -143:sc= -0.278 (180deg=-0.29) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot -113:sc= 2.1 USER MOD Single : A 64 SER OG : rot 2:sc= 0.835 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -0.0457 X(o=-0.046,f=-0.19) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -3.03! C(o=-3!,f=-3.2!) USER MOD Single : A 84 THR OG1 : rot -59:sc= 0.281 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.0365 X(o=-0.037,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= -0.0125 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.374 -36.102 10.595 1.00 0.00 N ATOM 2 CA GLY A 1 -15.256 -35.400 9.995 1.00 0.00 C ATOM 3 C GLY A 1 -15.685 -34.144 9.261 1.00 0.00 C ATOM 4 O GLY A 1 -16.873 -33.935 9.019 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.296 -36.058 11.631 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.265 -35.657 10.295 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.364 -37.096 10.289 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.538 -35.136 10.772 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.744 -36.066 9.300 1.00 0.00 H new ATOM 8 N SER A 2 -14.716 -33.306 8.908 1.00 0.00 N ATOM 9 CA SER A 2 -15.001 -32.062 8.203 1.00 0.00 C ATOM 10 C SER A 2 -13.720 -31.265 7.970 1.00 0.00 C ATOM 11 O SER A 2 -12.773 -31.348 8.752 1.00 0.00 O ATOM 12 CB SER A 2 -16.002 -31.220 8.995 1.00 0.00 C ATOM 13 OG SER A 2 -16.112 -29.916 8.454 1.00 0.00 O ATOM 0 H SER A 2 -13.727 -33.466 9.099 1.00 0.00 H new ATOM 0 HA SER A 2 -15.434 -32.312 7.235 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.978 -31.705 8.985 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.687 -31.159 10.037 1.00 0.00 H new ATOM 0 HG SER A 2 -16.759 -29.398 8.977 1.00 0.00 H new ATOM 19 N SER A 3 -13.700 -30.493 6.888 1.00 0.00 N ATOM 20 CA SER A 3 -12.536 -29.684 6.548 1.00 0.00 C ATOM 21 C SER A 3 -12.794 -28.210 6.844 1.00 0.00 C ATOM 22 O SER A 3 -13.935 -27.750 6.817 1.00 0.00 O ATOM 23 CB SER A 3 -12.177 -29.863 5.072 1.00 0.00 C ATOM 24 OG SER A 3 -11.249 -30.919 4.897 1.00 0.00 O ATOM 0 H SER A 3 -14.477 -30.411 6.232 1.00 0.00 H new ATOM 0 HA SER A 3 -11.700 -30.020 7.161 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.080 -30.069 4.497 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.756 -28.936 4.682 1.00 0.00 H new ATOM 0 HG SER A 3 -11.037 -31.014 3.945 1.00 0.00 H new ATOM 30 N GLY A 4 -11.724 -27.473 7.130 1.00 0.00 N ATOM 31 CA GLY A 4 -11.855 -26.059 7.428 1.00 0.00 C ATOM 32 C GLY A 4 -10.738 -25.233 6.823 1.00 0.00 C ATOM 33 O GLY A 4 -9.588 -25.319 7.255 1.00 0.00 O ATOM 0 H GLY A 4 -10.769 -27.831 7.160 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.813 -25.699 7.053 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.863 -25.918 8.509 1.00 0.00 H new ATOM 37 N SER A 5 -11.075 -24.431 5.818 1.00 0.00 N ATOM 38 CA SER A 5 -10.090 -23.590 5.147 1.00 0.00 C ATOM 39 C SER A 5 -9.629 -22.459 6.062 1.00 0.00 C ATOM 40 O SER A 5 -10.203 -22.235 7.128 1.00 0.00 O ATOM 41 CB SER A 5 -10.675 -23.012 3.858 1.00 0.00 C ATOM 42 OG SER A 5 -10.951 -24.037 2.918 1.00 0.00 O ATOM 0 H SER A 5 -12.023 -24.346 5.450 1.00 0.00 H new ATOM 0 HA SER A 5 -9.228 -24.209 4.900 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.591 -22.465 4.084 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.975 -22.297 3.426 1.00 0.00 H new ATOM 0 HG SER A 5 -11.326 -23.642 2.103 1.00 0.00 H new ATOM 48 N SER A 6 -8.589 -21.749 5.636 1.00 0.00 N ATOM 49 CA SER A 6 -8.048 -20.643 6.418 1.00 0.00 C ATOM 50 C SER A 6 -8.332 -19.307 5.738 1.00 0.00 C ATOM 51 O SER A 6 -7.635 -18.913 4.804 1.00 0.00 O ATOM 52 CB SER A 6 -6.541 -20.818 6.612 1.00 0.00 C ATOM 53 OG SER A 6 -6.265 -21.776 7.620 1.00 0.00 O ATOM 0 H SER A 6 -8.105 -21.920 4.755 1.00 0.00 H new ATOM 0 HA SER A 6 -8.536 -20.646 7.393 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.084 -21.131 5.673 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.092 -19.862 6.882 1.00 0.00 H new ATOM 0 HG SER A 6 -5.295 -21.871 7.724 1.00 0.00 H new ATOM 59 N GLY A 7 -9.362 -18.615 6.213 1.00 0.00 N ATOM 60 CA GLY A 7 -9.722 -17.331 5.641 1.00 0.00 C ATOM 61 C GLY A 7 -9.079 -16.169 6.372 1.00 0.00 C ATOM 62 O GLY A 7 -9.450 -15.856 7.502 1.00 0.00 O ATOM 0 H GLY A 7 -9.955 -18.921 6.985 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.423 -17.307 4.593 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.806 -17.217 5.666 1.00 0.00 H new ATOM 66 N ASN A 8 -8.109 -15.530 5.725 1.00 0.00 N ATOM 67 CA ASN A 8 -7.411 -14.397 6.323 1.00 0.00 C ATOM 68 C ASN A 8 -8.395 -13.305 6.730 1.00 0.00 C ATOM 69 O ASN A 8 -9.093 -12.736 5.889 1.00 0.00 O ATOM 70 CB ASN A 8 -6.381 -13.832 5.343 1.00 0.00 C ATOM 71 CG ASN A 8 -5.055 -14.565 5.411 1.00 0.00 C ATOM 72 OD1 ASN A 8 -4.932 -15.586 6.088 1.00 0.00 O ATOM 73 ND2 ASN A 8 -4.055 -14.048 4.706 1.00 0.00 N ATOM 0 H ASN A 8 -7.789 -15.777 4.788 1.00 0.00 H new ATOM 0 HA ASN A 8 -6.897 -14.749 7.217 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.776 -13.895 4.329 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -6.220 -12.776 5.558 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.140 -14.499 4.712 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -4.202 -13.200 4.159 1.00 0.00 H new ATOM 80 N THR A 9 -8.447 -13.014 8.026 1.00 0.00 N ATOM 81 CA THR A 9 -9.345 -11.991 8.546 1.00 0.00 C ATOM 82 C THR A 9 -8.628 -11.085 9.541 1.00 0.00 C ATOM 83 O THR A 9 -8.139 -11.543 10.574 1.00 0.00 O ATOM 84 CB THR A 9 -10.573 -12.617 9.231 1.00 0.00 C ATOM 85 OG1 THR A 9 -11.164 -13.600 8.374 1.00 0.00 O ATOM 86 CG2 THR A 9 -11.602 -11.551 9.577 1.00 0.00 C ATOM 0 H THR A 9 -7.876 -13.474 8.736 1.00 0.00 H new ATOM 0 HA THR A 9 -9.677 -11.399 7.693 1.00 0.00 H new ATOM 0 HB THR A 9 -10.243 -13.093 10.154 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.531 -14.335 8.235 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.461 -12.017 10.060 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.157 -10.822 10.254 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.927 -11.049 8.665 1.00 0.00 H new ATOM 94 N LYS A 10 -8.569 -9.795 9.224 1.00 0.00 N ATOM 95 CA LYS A 10 -7.914 -8.823 10.091 1.00 0.00 C ATOM 96 C LYS A 10 -8.049 -7.413 9.526 1.00 0.00 C ATOM 97 O LYS A 10 -7.434 -7.078 8.514 1.00 0.00 O ATOM 98 CB LYS A 10 -6.435 -9.176 10.262 1.00 0.00 C ATOM 99 CG LYS A 10 -5.766 -8.451 11.416 1.00 0.00 C ATOM 100 CD LYS A 10 -5.627 -9.350 12.633 1.00 0.00 C ATOM 101 CE LYS A 10 -5.819 -8.570 13.926 1.00 0.00 C ATOM 102 NZ LYS A 10 -7.219 -8.663 14.426 1.00 0.00 N ATOM 0 H LYS A 10 -8.967 -9.399 8.373 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.403 -8.854 11.065 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.342 -10.251 10.417 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.905 -8.940 9.339 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.781 -8.102 11.106 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.349 -7.568 11.679 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.361 -10.154 12.579 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.642 -9.817 12.631 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.136 -8.951 14.685 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.561 -7.524 13.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.310 -8.119 15.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.869 -8.276 13.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.457 -9.659 14.608 1.00 0.00 H new ATOM 116 N GLN A 11 -8.858 -6.591 10.187 1.00 0.00 N ATOM 117 CA GLN A 11 -9.073 -5.216 9.750 1.00 0.00 C ATOM 118 C GLN A 11 -9.020 -4.255 10.933 1.00 0.00 C ATOM 119 O GLN A 11 -9.168 -4.663 12.086 1.00 0.00 O ATOM 120 CB GLN A 11 -10.419 -5.090 9.035 1.00 0.00 C ATOM 121 CG GLN A 11 -10.341 -5.353 7.540 1.00 0.00 C ATOM 122 CD GLN A 11 -11.551 -4.830 6.791 1.00 0.00 C ATOM 123 OE1 GLN A 11 -12.561 -4.470 7.396 1.00 0.00 O ATOM 124 NE2 GLN A 11 -11.454 -4.785 5.468 1.00 0.00 N ATOM 0 H GLN A 11 -9.375 -6.853 11.026 1.00 0.00 H new ATOM 0 HA GLN A 11 -8.275 -4.953 9.055 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.125 -5.790 9.482 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.816 -4.088 9.199 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.441 -4.886 7.139 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.248 -6.425 7.368 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.597 -5.094 5.009 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -12.236 -4.442 4.911 1.00 0.00 H new ATOM 133 N LEU A 12 -8.809 -2.976 10.640 1.00 0.00 N ATOM 134 CA LEU A 12 -8.736 -1.955 11.681 1.00 0.00 C ATOM 135 C LEU A 12 -10.027 -1.145 11.738 1.00 0.00 C ATOM 136 O LEU A 12 -10.752 -1.041 10.749 1.00 0.00 O ATOM 137 CB LEU A 12 -7.548 -1.026 11.428 1.00 0.00 C ATOM 138 CG LEU A 12 -6.166 -1.607 11.731 1.00 0.00 C ATOM 139 CD1 LEU A 12 -5.129 -1.048 10.770 1.00 0.00 C ATOM 140 CD2 LEU A 12 -5.771 -1.316 13.173 1.00 0.00 C ATOM 0 H LEU A 12 -8.686 -2.621 9.692 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.600 -2.456 12.640 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.569 -0.718 10.383 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.682 -0.126 12.028 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.210 -2.688 11.597 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.152 -1.473 11.001 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.404 -1.306 9.747 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.086 0.036 10.871 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.785 -1.736 13.372 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.745 -0.238 13.333 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.500 -1.765 13.848 1.00 0.00 H new ATOM 152 N ARG A 13 -10.306 -0.570 12.903 1.00 0.00 N ATOM 153 CA ARG A 13 -11.509 0.233 13.090 1.00 0.00 C ATOM 154 C ARG A 13 -11.298 1.655 12.580 1.00 0.00 C ATOM 155 O ARG A 13 -10.372 2.347 13.004 1.00 0.00 O ATOM 156 CB ARG A 13 -11.903 0.263 14.569 1.00 0.00 C ATOM 157 CG ARG A 13 -12.908 -0.811 14.953 1.00 0.00 C ATOM 158 CD ARG A 13 -14.337 -0.344 14.723 1.00 0.00 C ATOM 159 NE ARG A 13 -14.919 -0.936 13.521 1.00 0.00 N ATOM 160 CZ ARG A 13 -16.030 -0.489 12.946 1.00 0.00 C ATOM 161 NH1 ARG A 13 -16.675 0.550 13.459 1.00 0.00 N ATOM 162 NH2 ARG A 13 -16.498 -1.081 11.854 1.00 0.00 N ATOM 0 H ARG A 13 -9.716 -0.645 13.732 1.00 0.00 H new ATOM 0 HA ARG A 13 -12.314 -0.225 12.515 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.007 0.144 15.178 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -12.321 1.241 14.805 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -12.720 -1.712 14.369 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.775 -1.077 16.002 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -14.947 -0.605 15.588 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.354 0.742 14.637 1.00 0.00 H new ATOM 0 HE ARG A 13 -14.447 -1.736 13.100 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -16.318 1.008 14.297 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -17.528 0.891 13.015 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -16.005 -1.880 11.456 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -17.351 -0.737 11.413 1.00 0.00 H new ATOM 176 N PHE A 14 -12.162 2.085 11.667 1.00 0.00 N ATOM 177 CA PHE A 14 -12.070 3.425 11.097 1.00 0.00 C ATOM 178 C PHE A 14 -11.939 4.475 12.196 1.00 0.00 C ATOM 179 O PHE A 14 -11.154 5.415 12.079 1.00 0.00 O ATOM 180 CB PHE A 14 -13.299 3.722 10.236 1.00 0.00 C ATOM 181 CG PHE A 14 -13.434 5.170 9.862 1.00 0.00 C ATOM 182 CD1 PHE A 14 -14.007 6.076 10.741 1.00 0.00 C ATOM 183 CD2 PHE A 14 -12.986 5.626 8.633 1.00 0.00 C ATOM 184 CE1 PHE A 14 -14.132 7.409 10.400 1.00 0.00 C ATOM 185 CE2 PHE A 14 -13.109 6.959 8.286 1.00 0.00 C ATOM 186 CZ PHE A 14 -13.681 7.851 9.171 1.00 0.00 C ATOM 0 H PHE A 14 -12.934 1.525 11.305 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.179 3.466 10.471 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -13.249 3.123 9.326 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -14.194 3.409 10.774 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -14.360 5.736 11.703 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -12.536 4.933 7.938 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -14.582 8.105 11.093 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -12.758 7.302 7.324 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.776 8.893 8.903 1.00 0.00 H new ATOM 196 N GLU A 15 -12.713 4.307 13.263 1.00 0.00 N ATOM 197 CA GLU A 15 -12.684 5.241 14.382 1.00 0.00 C ATOM 198 C GLU A 15 -11.304 5.271 15.030 1.00 0.00 C ATOM 199 O GLU A 15 -10.840 6.319 15.480 1.00 0.00 O ATOM 200 CB GLU A 15 -13.740 4.859 15.422 1.00 0.00 C ATOM 201 CG GLU A 15 -15.159 5.209 15.006 1.00 0.00 C ATOM 202 CD GLU A 15 -16.202 4.397 15.750 1.00 0.00 C ATOM 203 OE1 GLU A 15 -16.248 3.165 15.549 1.00 0.00 O ATOM 204 OE2 GLU A 15 -16.971 4.993 16.533 1.00 0.00 O ATOM 0 H GLU A 15 -13.368 3.533 13.376 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.907 6.236 13.997 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.680 3.787 15.612 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.511 5.362 16.361 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -15.335 6.270 15.184 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -15.271 5.043 13.935 1.00 0.00 H new ATOM 211 N ASP A 16 -10.652 4.114 15.074 1.00 0.00 N ATOM 212 CA ASP A 16 -9.325 4.006 15.668 1.00 0.00 C ATOM 213 C ASP A 16 -8.258 4.521 14.706 1.00 0.00 C ATOM 214 O ASP A 16 -7.275 5.135 15.123 1.00 0.00 O ATOM 215 CB ASP A 16 -9.028 2.555 16.049 1.00 0.00 C ATOM 216 CG ASP A 16 -8.000 2.445 17.156 1.00 0.00 C ATOM 217 OD1 ASP A 16 -6.946 3.108 17.056 1.00 0.00 O ATOM 218 OD2 ASP A 16 -8.248 1.697 18.125 1.00 0.00 O ATOM 0 H ASP A 16 -11.021 3.238 14.705 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.306 4.620 16.569 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.951 2.069 16.365 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.670 2.018 15.171 1.00 0.00 H new ATOM 223 N VAL A 17 -8.456 4.264 13.417 1.00 0.00 N ATOM 224 CA VAL A 17 -7.511 4.701 12.396 1.00 0.00 C ATOM 225 C VAL A 17 -7.484 6.221 12.287 1.00 0.00 C ATOM 226 O VAL A 17 -6.419 6.837 12.314 1.00 0.00 O ATOM 227 CB VAL A 17 -7.858 4.104 11.019 1.00 0.00 C ATOM 228 CG1 VAL A 17 -6.855 4.562 9.971 1.00 0.00 C ATOM 229 CG2 VAL A 17 -7.906 2.585 11.094 1.00 0.00 C ATOM 0 H VAL A 17 -9.263 3.755 13.055 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.527 4.344 12.701 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.845 4.462 10.725 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.116 4.131 9.005 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.874 5.650 9.900 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.855 4.235 10.257 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.152 2.180 10.113 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.934 2.205 11.410 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.666 2.280 11.814 1.00 0.00 H new ATOM 239 N VAL A 18 -8.663 6.821 12.162 1.00 0.00 N ATOM 240 CA VAL A 18 -8.776 8.271 12.050 1.00 0.00 C ATOM 241 C VAL A 18 -8.230 8.962 13.294 1.00 0.00 C ATOM 242 O VAL A 18 -7.758 10.096 13.230 1.00 0.00 O ATOM 243 CB VAL A 18 -10.238 8.705 11.834 1.00 0.00 C ATOM 244 CG1 VAL A 18 -10.716 8.299 10.449 1.00 0.00 C ATOM 245 CG2 VAL A 18 -11.134 8.113 12.911 1.00 0.00 C ATOM 0 H VAL A 18 -9.554 6.326 12.136 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.185 8.569 11.184 1.00 0.00 H new ATOM 0 HB VAL A 18 -10.291 9.791 11.906 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.751 8.614 10.314 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.091 8.776 9.694 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.650 7.216 10.344 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.163 8.430 12.743 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.079 7.025 12.873 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.803 8.459 13.890 1.00 0.00 H new ATOM 255 N ASN A 19 -8.297 8.270 14.427 1.00 0.00 N ATOM 256 CA ASN A 19 -7.809 8.817 15.688 1.00 0.00 C ATOM 257 C ASN A 19 -6.316 8.550 15.855 1.00 0.00 C ATOM 258 O ASN A 19 -5.599 9.345 16.461 1.00 0.00 O ATOM 259 CB ASN A 19 -8.582 8.214 16.863 1.00 0.00 C ATOM 260 CG ASN A 19 -8.693 9.171 18.033 1.00 0.00 C ATOM 261 OD1 ASN A 19 -7.692 9.526 18.656 1.00 0.00 O ATOM 262 ND2 ASN A 19 -9.914 9.592 18.340 1.00 0.00 N ATOM 0 H ASN A 19 -8.685 7.329 14.498 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.967 9.895 15.673 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.581 7.933 16.531 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.086 7.300 17.190 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.051 10.236 19.119 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.716 9.272 17.796 1.00 0.00 H new ATOM 269 N GLN A 20 -5.857 7.426 15.314 1.00 0.00 N ATOM 270 CA GLN A 20 -4.450 7.055 15.405 1.00 0.00 C ATOM 271 C GLN A 20 -3.551 8.254 15.123 1.00 0.00 C ATOM 272 O GLN A 20 -2.604 8.519 15.862 1.00 0.00 O ATOM 273 CB GLN A 20 -4.135 5.924 14.423 1.00 0.00 C ATOM 274 CG GLN A 20 -4.510 4.546 14.942 1.00 0.00 C ATOM 275 CD GLN A 20 -3.303 3.655 15.156 1.00 0.00 C ATOM 276 OE1 GLN A 20 -2.650 3.715 16.199 1.00 0.00 O ATOM 277 NE2 GLN A 20 -2.998 2.822 14.168 1.00 0.00 N ATOM 0 H GLN A 20 -6.438 6.757 14.809 1.00 0.00 H new ATOM 0 HA GLN A 20 -4.256 6.710 16.421 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.665 6.108 13.488 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.069 5.939 14.194 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.051 4.651 15.883 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.189 4.068 14.236 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.566 2.805 13.321 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.195 2.199 14.256 1.00 0.00 H new ATOM 286 N SER A 21 -3.856 8.976 14.050 1.00 0.00 N ATOM 287 CA SER A 21 -3.073 10.145 13.668 1.00 0.00 C ATOM 288 C SER A 21 -3.964 11.377 13.534 1.00 0.00 C ATOM 289 O SER A 21 -5.099 11.287 13.068 1.00 0.00 O ATOM 290 CB SER A 21 -2.340 9.887 12.350 1.00 0.00 C ATOM 291 OG SER A 21 -1.267 8.980 12.531 1.00 0.00 O ATOM 0 H SER A 21 -4.640 8.772 13.430 1.00 0.00 H new ATOM 0 HA SER A 21 -2.340 10.331 14.453 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.038 9.487 11.615 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.961 10.828 11.951 1.00 0.00 H new ATOM 0 HG SER A 21 -0.416 9.456 12.430 1.00 0.00 H new ATOM 297 N SER A 22 -3.440 12.526 13.949 1.00 0.00 N ATOM 298 CA SER A 22 -4.189 13.776 13.880 1.00 0.00 C ATOM 299 C SER A 22 -4.581 14.096 12.441 1.00 0.00 C ATOM 300 O SER A 22 -3.977 13.612 11.484 1.00 0.00 O ATOM 301 CB SER A 22 -3.362 14.923 14.463 1.00 0.00 C ATOM 302 OG SER A 22 -3.708 15.164 15.816 1.00 0.00 O ATOM 0 H SER A 22 -2.501 12.617 14.336 1.00 0.00 H new ATOM 0 HA SER A 22 -5.099 13.659 14.468 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.301 14.683 14.393 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.524 15.827 13.876 1.00 0.00 H new ATOM 0 HG SER A 22 -3.165 15.900 16.166 1.00 0.00 H new ATOM 308 N PRO A 23 -5.618 14.932 12.284 1.00 0.00 N ATOM 309 CA PRO A 23 -6.115 15.338 10.965 1.00 0.00 C ATOM 310 C PRO A 23 -5.138 16.253 10.234 1.00 0.00 C ATOM 311 O PRO A 23 -4.998 16.180 9.013 1.00 0.00 O ATOM 312 CB PRO A 23 -7.410 16.086 11.289 1.00 0.00 C ATOM 313 CG PRO A 23 -7.224 16.582 12.681 1.00 0.00 C ATOM 314 CD PRO A 23 -6.385 15.548 13.380 1.00 0.00 C ATOM 0 HA PRO A 23 -6.255 14.485 10.301 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.576 16.909 10.594 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.276 15.428 11.216 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.730 17.554 12.686 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -8.184 16.709 13.182 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.730 15.999 14.125 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -7.002 14.815 13.900 1.00 0.00 H new ATOM 322 N LYS A 24 -4.465 17.115 10.989 1.00 0.00 N ATOM 323 CA LYS A 24 -3.501 18.045 10.414 1.00 0.00 C ATOM 324 C LYS A 24 -2.500 17.310 9.526 1.00 0.00 C ATOM 325 O LYS A 24 -2.008 17.862 8.543 1.00 0.00 O ATOM 326 CB LYS A 24 -2.760 18.794 11.523 1.00 0.00 C ATOM 327 CG LYS A 24 -1.695 17.961 12.215 1.00 0.00 C ATOM 328 CD LYS A 24 -0.892 18.790 13.204 1.00 0.00 C ATOM 329 CE LYS A 24 -0.620 18.019 14.486 1.00 0.00 C ATOM 330 NZ LYS A 24 -0.832 18.862 15.695 1.00 0.00 N ATOM 0 H LYS A 24 -4.570 17.189 12.001 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.047 18.763 9.801 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.295 19.684 11.100 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.482 19.134 12.265 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.166 17.127 12.736 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.025 17.533 11.469 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.053 19.086 12.749 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.435 19.706 13.437 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.273 17.148 14.532 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.405 17.649 14.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.637 18.301 16.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.191 19.680 15.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.817 19.195 15.718 1.00 0.00 H new ATOM 344 N ASN A 25 -2.205 16.064 9.881 1.00 0.00 N ATOM 345 CA ASN A 25 -1.263 15.254 9.115 1.00 0.00 C ATOM 346 C ASN A 25 -1.913 13.952 8.657 1.00 0.00 C ATOM 347 O ASN A 25 -2.163 13.054 9.462 1.00 0.00 O ATOM 348 CB ASN A 25 -0.021 14.949 9.955 1.00 0.00 C ATOM 349 CG ASN A 25 0.685 13.684 9.505 1.00 0.00 C ATOM 350 OD1 ASN A 25 0.326 12.559 10.112 1.00 0.00 O flip ATOM 351 ND2 ASN A 25 1.541 13.719 8.623 1.00 0.00 N flip ATOM 0 H ASN A 25 -2.604 15.593 10.693 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.967 15.822 8.233 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.671 15.789 9.894 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.309 14.848 11.001 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.785 14.607 8.184 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.007 12.860 8.330 1.00 0.00 H new ATOM 358 N CYS A 26 -2.184 13.858 7.360 1.00 0.00 N ATOM 359 CA CYS A 26 -2.805 12.666 6.794 1.00 0.00 C ATOM 360 C CYS A 26 -1.865 11.979 5.808 1.00 0.00 C ATOM 361 O CYS A 26 -1.701 12.427 4.673 1.00 0.00 O ATOM 362 CB CYS A 26 -4.116 13.030 6.096 1.00 0.00 C ATOM 363 SG CYS A 26 -5.126 14.227 7.001 1.00 0.00 S ATOM 0 H CYS A 26 -1.984 14.592 6.681 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.016 11.975 7.610 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.890 13.434 5.109 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.698 12.121 5.943 1.00 0.00 H new ATOM 0 HG CYS A 26 -4.384 14.857 7.863 1.00 0.00 H new ATOM 369 N THR A 27 -1.247 10.888 6.250 1.00 0.00 N ATOM 370 CA THR A 27 -0.320 10.141 5.409 1.00 0.00 C ATOM 371 C THR A 27 -0.651 8.653 5.414 1.00 0.00 C ATOM 372 O THR A 27 -1.149 8.120 6.406 1.00 0.00 O ATOM 373 CB THR A 27 1.137 10.333 5.869 1.00 0.00 C ATOM 374 OG1 THR A 27 1.343 11.686 6.291 1.00 0.00 O ATOM 375 CG2 THR A 27 2.108 9.992 4.749 1.00 0.00 C ATOM 0 H THR A 27 -1.372 10.502 7.186 1.00 0.00 H new ATOM 0 HA THR A 27 -0.427 10.531 4.397 1.00 0.00 H new ATOM 0 HB THR A 27 1.322 9.660 6.706 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.271 11.800 6.584 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.131 10.135 5.098 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.969 8.953 4.450 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.921 10.643 3.895 1.00 0.00 H new ATOM 383 N VAL A 28 -0.370 7.985 4.300 1.00 0.00 N ATOM 384 CA VAL A 28 -0.635 6.556 4.177 1.00 0.00 C ATOM 385 C VAL A 28 0.628 5.793 3.792 1.00 0.00 C ATOM 386 O VAL A 28 1.096 5.881 2.657 1.00 0.00 O ATOM 387 CB VAL A 28 -1.730 6.277 3.130 1.00 0.00 C ATOM 388 CG1 VAL A 28 -1.861 4.783 2.880 1.00 0.00 C ATOM 389 CG2 VAL A 28 -3.058 6.870 3.578 1.00 0.00 C ATOM 0 H VAL A 28 0.041 8.410 3.469 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.979 6.213 5.153 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.443 6.754 2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.639 4.605 2.138 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.913 4.391 2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.125 4.280 3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.820 6.664 2.827 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.354 6.424 4.527 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.952 7.948 3.701 1.00 0.00 H new ATOM 399 N TYR A 29 1.174 5.046 4.744 1.00 0.00 N ATOM 400 CA TYR A 29 2.383 4.269 4.505 1.00 0.00 C ATOM 401 C TYR A 29 2.043 2.878 3.979 1.00 0.00 C ATOM 402 O TYR A 29 1.597 2.010 4.731 1.00 0.00 O ATOM 403 CB TYR A 29 3.203 4.152 5.792 1.00 0.00 C ATOM 404 CG TYR A 29 4.355 3.179 5.691 1.00 0.00 C ATOM 405 CD1 TYR A 29 4.164 1.821 5.911 1.00 0.00 C ATOM 406 CD2 TYR A 29 5.636 3.618 5.375 1.00 0.00 C ATOM 407 CE1 TYR A 29 5.215 0.928 5.820 1.00 0.00 C ATOM 408 CE2 TYR A 29 6.691 2.732 5.281 1.00 0.00 C ATOM 409 CZ TYR A 29 6.476 1.389 5.504 1.00 0.00 C ATOM 410 OH TYR A 29 7.526 0.503 5.412 1.00 0.00 O ATOM 0 H TYR A 29 0.798 4.962 5.689 1.00 0.00 H new ATOM 0 HA TYR A 29 2.974 4.789 3.751 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.592 5.136 6.056 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.546 3.841 6.604 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.178 1.457 6.157 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.809 4.670 5.200 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.050 -0.125 5.995 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.680 3.090 5.034 1.00 0.00 H new ATOM 0 HH TYR A 29 8.345 0.989 5.181 1.00 0.00 H new ATOM 420 N CYS A 30 2.257 2.674 2.684 1.00 0.00 N ATOM 421 CA CYS A 30 1.973 1.388 2.056 1.00 0.00 C ATOM 422 C CYS A 30 3.263 0.633 1.755 1.00 0.00 C ATOM 423 O CYS A 30 4.033 1.023 0.877 1.00 0.00 O ATOM 424 CB CYS A 30 1.175 1.593 0.767 1.00 0.00 C ATOM 425 SG CYS A 30 -0.096 0.340 0.480 1.00 0.00 S ATOM 0 H CYS A 30 2.626 3.382 2.049 1.00 0.00 H new ATOM 0 HA CYS A 30 1.380 0.794 2.752 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.702 2.575 0.797 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.864 1.597 -0.078 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.718 0.600 -0.632 1.00 0.00 H new ATOM 431 N GLY A 31 3.496 -0.449 2.491 1.00 0.00 N ATOM 432 CA GLY A 31 4.695 -1.241 2.290 1.00 0.00 C ATOM 433 C GLY A 31 4.389 -2.706 2.049 1.00 0.00 C ATOM 434 O GLY A 31 3.608 -3.312 2.781 1.00 0.00 O ATOM 0 H GLY A 31 2.875 -0.792 3.224 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.250 -0.844 1.440 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.340 -1.147 3.164 1.00 0.00 H new ATOM 438 N GLY A 32 5.006 -3.277 1.020 1.00 0.00 N ATOM 439 CA GLY A 32 4.782 -4.675 0.702 1.00 0.00 C ATOM 440 C GLY A 32 5.337 -5.058 -0.655 1.00 0.00 C ATOM 441 O GLY A 32 6.134 -5.991 -0.767 1.00 0.00 O ATOM 0 H GLY A 32 5.658 -2.796 0.400 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.244 -5.297 1.469 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.712 -4.883 0.725 1.00 0.00 H new ATOM 445 N ILE A 33 4.914 -4.339 -1.690 1.00 0.00 N ATOM 446 CA ILE A 33 5.375 -4.610 -3.046 1.00 0.00 C ATOM 447 C ILE A 33 6.895 -4.543 -3.134 1.00 0.00 C ATOM 448 O ILE A 33 7.539 -3.803 -2.392 1.00 0.00 O ATOM 449 CB ILE A 33 4.769 -3.615 -4.054 1.00 0.00 C ATOM 450 CG1 ILE A 33 3.260 -3.491 -3.838 1.00 0.00 C ATOM 451 CG2 ILE A 33 5.072 -4.056 -5.479 1.00 0.00 C ATOM 452 CD1 ILE A 33 2.791 -2.065 -3.654 1.00 0.00 C ATOM 0 H ILE A 33 4.254 -3.565 -1.615 1.00 0.00 H new ATOM 0 HA ILE A 33 5.044 -5.618 -3.297 1.00 0.00 H new ATOM 0 HB ILE A 33 5.221 -2.636 -3.893 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.742 -3.928 -4.692 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.978 -4.074 -2.961 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.638 -3.344 -6.180 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.151 -4.097 -5.625 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.644 -5.043 -5.653 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.711 -2.053 -3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.281 -1.630 -2.783 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.042 -1.482 -4.540 1.00 0.00 H new ATOM 464 N ALA A 34 7.464 -5.322 -4.049 1.00 0.00 N ATOM 465 CA ALA A 34 8.909 -5.350 -4.237 1.00 0.00 C ATOM 466 C ALA A 34 9.274 -5.201 -5.710 1.00 0.00 C ATOM 467 O ALA A 34 10.137 -4.401 -6.068 1.00 0.00 O ATOM 468 CB ALA A 34 9.490 -6.639 -3.675 1.00 0.00 C ATOM 0 H ALA A 34 6.946 -5.942 -4.671 1.00 0.00 H new ATOM 0 HA ALA A 34 9.337 -4.506 -3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.570 -6.646 -3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.269 -6.704 -2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.048 -7.492 -4.190 1.00 0.00 H new ATOM 474 N SER A 35 8.610 -5.978 -6.561 1.00 0.00 N ATOM 475 CA SER A 35 8.868 -5.935 -7.995 1.00 0.00 C ATOM 476 C SER A 35 7.649 -5.416 -8.751 1.00 0.00 C ATOM 477 O SER A 35 7.474 -5.695 -9.937 1.00 0.00 O ATOM 478 CB SER A 35 9.245 -7.326 -8.509 1.00 0.00 C ATOM 479 OG SER A 35 10.501 -7.305 -9.163 1.00 0.00 O ATOM 0 H SER A 35 7.890 -6.644 -6.282 1.00 0.00 H new ATOM 0 HA SER A 35 9.700 -5.253 -8.169 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.277 -8.028 -7.676 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.479 -7.683 -9.198 1.00 0.00 H new ATOM 0 HG SER A 35 10.720 -8.206 -9.480 1.00 0.00 H new ATOM 485 N GLY A 36 6.807 -4.657 -8.055 1.00 0.00 N ATOM 486 CA GLY A 36 5.615 -4.110 -8.676 1.00 0.00 C ATOM 487 C GLY A 36 5.254 -2.742 -8.130 1.00 0.00 C ATOM 488 O GLY A 36 4.076 -2.392 -8.044 1.00 0.00 O ATOM 0 H GLY A 36 6.930 -4.412 -7.073 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.770 -4.039 -9.753 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.780 -4.793 -8.518 1.00 0.00 H new ATOM 492 N LEU A 37 6.266 -1.968 -7.760 1.00 0.00 N ATOM 493 CA LEU A 37 6.050 -0.631 -7.218 1.00 0.00 C ATOM 494 C LEU A 37 6.083 0.417 -8.326 1.00 0.00 C ATOM 495 O LEU A 37 7.149 0.765 -8.836 1.00 0.00 O ATOM 496 CB LEU A 37 7.110 -0.309 -6.163 1.00 0.00 C ATOM 497 CG LEU A 37 6.587 0.038 -4.770 1.00 0.00 C ATOM 498 CD1 LEU A 37 7.715 0.552 -3.888 1.00 0.00 C ATOM 499 CD2 LEU A 37 5.469 1.066 -4.861 1.00 0.00 C ATOM 0 H LEU A 37 7.246 -2.243 -7.825 1.00 0.00 H new ATOM 0 HA LEU A 37 5.065 -0.609 -6.752 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.778 -1.166 -6.075 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.709 0.527 -6.523 1.00 0.00 H new ATOM 0 HG LEU A 37 6.185 -0.869 -4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.323 0.794 -2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.483 -0.216 -3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.148 1.447 -4.336 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.109 1.301 -3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.846 1.973 -5.333 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.650 0.661 -5.456 1.00 0.00 H new ATOM 511 N THR A 38 4.909 0.920 -8.693 1.00 0.00 N ATOM 512 CA THR A 38 4.803 1.929 -9.740 1.00 0.00 C ATOM 513 C THR A 38 3.761 2.985 -9.382 1.00 0.00 C ATOM 514 O THR A 38 2.641 2.657 -8.992 1.00 0.00 O ATOM 515 CB THR A 38 4.433 1.297 -11.094 1.00 0.00 C ATOM 516 OG1 THR A 38 3.259 0.489 -10.953 1.00 0.00 O ATOM 517 CG2 THR A 38 5.579 0.449 -11.626 1.00 0.00 C ATOM 0 H THR A 38 4.017 0.645 -8.281 1.00 0.00 H new ATOM 0 HA THR A 38 5.782 2.402 -9.824 1.00 0.00 H new ATOM 0 HB THR A 38 4.237 2.100 -11.804 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.029 0.092 -11.819 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.295 0.013 -12.583 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.462 1.074 -11.760 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.802 -0.348 -10.916 1.00 0.00 H new ATOM 525 N ASP A 39 4.139 4.251 -9.518 1.00 0.00 N ATOM 526 CA ASP A 39 3.235 5.354 -9.212 1.00 0.00 C ATOM 527 C ASP A 39 1.823 5.052 -9.700 1.00 0.00 C ATOM 528 O ASP A 39 0.841 5.439 -9.066 1.00 0.00 O ATOM 529 CB ASP A 39 3.743 6.649 -9.849 1.00 0.00 C ATOM 530 CG ASP A 39 3.028 7.875 -9.318 1.00 0.00 C ATOM 531 OD1 ASP A 39 1.813 7.781 -9.046 1.00 0.00 O ATOM 532 OD2 ASP A 39 3.682 8.930 -9.177 1.00 0.00 O ATOM 0 H ASP A 39 5.064 4.539 -9.838 1.00 0.00 H new ATOM 0 HA ASP A 39 3.206 5.477 -8.129 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.813 6.747 -9.663 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.611 6.595 -10.930 1.00 0.00 H new ATOM 537 N GLN A 40 1.728 4.360 -10.831 1.00 0.00 N ATOM 538 CA GLN A 40 0.434 4.008 -11.405 1.00 0.00 C ATOM 539 C GLN A 40 -0.332 3.065 -10.483 1.00 0.00 C ATOM 540 O GLN A 40 -1.537 3.219 -10.283 1.00 0.00 O ATOM 541 CB GLN A 40 0.621 3.359 -12.777 1.00 0.00 C ATOM 542 CG GLN A 40 -0.679 3.166 -13.541 1.00 0.00 C ATOM 543 CD GLN A 40 -0.602 3.684 -14.964 1.00 0.00 C ATOM 544 OE1 GLN A 40 0.325 4.412 -15.323 1.00 0.00 O ATOM 545 NE2 GLN A 40 -1.578 3.312 -15.783 1.00 0.00 N ATOM 0 H GLN A 40 2.531 4.032 -11.368 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.146 4.924 -11.520 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.295 3.975 -13.372 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.105 2.391 -12.649 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.932 2.106 -13.557 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.485 3.678 -13.015 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.326 2.708 -15.443 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.580 3.630 -16.752 1.00 0.00 H new ATOM 554 N LEU A 41 0.374 2.089 -9.925 1.00 0.00 N ATOM 555 CA LEU A 41 -0.239 1.119 -9.023 1.00 0.00 C ATOM 556 C LEU A 41 -0.870 1.816 -7.823 1.00 0.00 C ATOM 557 O LEU A 41 -2.069 1.689 -7.578 1.00 0.00 O ATOM 558 CB LEU A 41 0.803 0.104 -8.550 1.00 0.00 C ATOM 559 CG LEU A 41 0.280 -1.033 -7.671 1.00 0.00 C ATOM 560 CD1 LEU A 41 -0.815 -1.806 -8.391 1.00 0.00 C ATOM 561 CD2 LEU A 41 1.415 -1.962 -7.269 1.00 0.00 C ATOM 0 H LEU A 41 1.372 1.947 -10.081 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.024 0.596 -9.569 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.281 -0.332 -9.427 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.576 0.638 -7.998 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.146 -0.599 -6.766 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.174 -2.611 -7.750 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.640 -1.134 -8.627 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.416 -2.228 -9.313 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.024 -2.765 -6.644 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.871 -2.387 -8.163 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.165 -1.400 -6.712 1.00 0.00 H new ATOM 573 N MET A 42 -0.054 2.554 -7.077 1.00 0.00 N ATOM 574 CA MET A 42 -0.534 3.273 -5.903 1.00 0.00 C ATOM 575 C MET A 42 -1.627 4.267 -6.283 1.00 0.00 C ATOM 576 O MET A 42 -2.654 4.361 -5.611 1.00 0.00 O ATOM 577 CB MET A 42 0.623 4.006 -5.220 1.00 0.00 C ATOM 578 CG MET A 42 1.663 3.075 -4.620 1.00 0.00 C ATOM 579 SD MET A 42 0.972 1.974 -3.370 1.00 0.00 S ATOM 580 CE MET A 42 0.838 0.449 -4.299 1.00 0.00 C ATOM 0 H MET A 42 0.942 2.670 -7.265 1.00 0.00 H new ATOM 0 HA MET A 42 -0.955 2.545 -5.209 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.108 4.659 -5.946 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.223 4.646 -4.433 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.113 2.479 -5.414 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.462 3.668 -4.175 1.00 0.00 H new ATOM 0 HE1 MET A 42 0.595 -0.370 -3.621 1.00 0.00 H new ATOM 0 HE2 MET A 42 0.051 0.547 -5.047 1.00 0.00 H new ATOM 0 HE3 MET A 42 1.786 0.241 -4.795 1.00 0.00 H new ATOM 590 N ARG A 43 -1.399 5.006 -7.363 1.00 0.00 N ATOM 591 CA ARG A 43 -2.364 5.993 -7.832 1.00 0.00 C ATOM 592 C ARG A 43 -3.694 5.331 -8.178 1.00 0.00 C ATOM 593 O ARG A 43 -4.760 5.851 -7.851 1.00 0.00 O ATOM 594 CB ARG A 43 -1.817 6.733 -9.054 1.00 0.00 C ATOM 595 CG ARG A 43 -2.546 8.032 -9.355 1.00 0.00 C ATOM 596 CD ARG A 43 -2.480 8.377 -10.835 1.00 0.00 C ATOM 597 NE ARG A 43 -3.444 9.412 -11.200 1.00 0.00 N ATOM 598 CZ ARG A 43 -3.292 10.697 -10.896 1.00 0.00 C ATOM 599 NH1 ARG A 43 -2.221 11.102 -10.228 1.00 0.00 N ATOM 600 NH2 ARG A 43 -4.212 11.580 -11.262 1.00 0.00 N ATOM 0 H ARG A 43 -0.554 4.940 -7.930 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.533 6.709 -7.028 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.760 6.947 -8.895 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.883 6.079 -9.924 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.588 7.946 -9.046 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.106 8.841 -8.772 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.474 8.715 -11.084 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.670 7.480 -11.425 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.279 9.134 -11.716 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.510 10.427 -9.946 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.107 12.089 -9.996 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.037 11.273 -11.777 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.094 12.566 -11.028 1.00 0.00 H new ATOM 614 N GLN A 44 -3.623 4.181 -8.840 1.00 0.00 N ATOM 615 CA GLN A 44 -4.821 3.449 -9.230 1.00 0.00 C ATOM 616 C GLN A 44 -5.407 2.689 -8.045 1.00 0.00 C ATOM 617 O GLN A 44 -6.595 2.367 -8.025 1.00 0.00 O ATOM 618 CB GLN A 44 -4.502 2.476 -10.367 1.00 0.00 C ATOM 619 CG GLN A 44 -5.653 2.277 -11.339 1.00 0.00 C ATOM 620 CD GLN A 44 -5.182 1.962 -12.746 1.00 0.00 C ATOM 621 OE1 GLN A 44 -3.984 1.968 -13.027 1.00 0.00 O ATOM 622 NE2 GLN A 44 -6.125 1.685 -13.638 1.00 0.00 N ATOM 0 H GLN A 44 -2.748 3.736 -9.117 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.560 4.172 -9.575 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.634 2.843 -10.915 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.226 1.511 -9.942 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.288 1.466 -10.983 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.267 3.178 -11.359 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.107 1.691 -13.361 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.868 1.466 -14.600 1.00 0.00 H new ATOM 631 N THR A 45 -4.565 2.407 -7.055 1.00 0.00 N ATOM 632 CA THR A 45 -4.998 1.686 -5.866 1.00 0.00 C ATOM 633 C THR A 45 -5.750 2.603 -4.908 1.00 0.00 C ATOM 634 O THR A 45 -6.759 2.213 -4.323 1.00 0.00 O ATOM 635 CB THR A 45 -3.804 1.056 -5.124 1.00 0.00 C ATOM 636 OG1 THR A 45 -3.313 -0.073 -5.855 1.00 0.00 O ATOM 637 CG2 THR A 45 -4.204 0.624 -3.722 1.00 0.00 C ATOM 0 H THR A 45 -3.579 2.668 -7.054 1.00 0.00 H new ATOM 0 HA THR A 45 -5.665 0.894 -6.204 1.00 0.00 H new ATOM 0 HB THR A 45 -3.018 1.807 -5.045 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.776 0.237 -6.614 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.344 0.182 -3.218 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.549 1.491 -3.159 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.006 -0.111 -3.783 1.00 0.00 H new ATOM 645 N PHE A 46 -5.252 3.825 -4.754 1.00 0.00 N ATOM 646 CA PHE A 46 -5.877 4.800 -3.867 1.00 0.00 C ATOM 647 C PHE A 46 -6.821 5.714 -4.642 1.00 0.00 C ATOM 648 O PHE A 46 -7.672 6.384 -4.058 1.00 0.00 O ATOM 649 CB PHE A 46 -4.808 5.635 -3.158 1.00 0.00 C ATOM 650 CG PHE A 46 -3.931 4.831 -2.241 1.00 0.00 C ATOM 651 CD1 PHE A 46 -4.435 4.306 -1.062 1.00 0.00 C ATOM 652 CD2 PHE A 46 -2.602 4.601 -2.558 1.00 0.00 C ATOM 653 CE1 PHE A 46 -3.630 3.566 -0.216 1.00 0.00 C ATOM 654 CE2 PHE A 46 -1.793 3.861 -1.716 1.00 0.00 C ATOM 655 CZ PHE A 46 -2.307 3.344 -0.543 1.00 0.00 C ATOM 0 H PHE A 46 -4.417 4.164 -5.232 1.00 0.00 H new ATOM 0 HA PHE A 46 -6.457 4.256 -3.122 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.185 6.125 -3.906 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.295 6.423 -2.584 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.469 4.477 -0.801 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.194 5.004 -3.473 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.036 3.162 0.700 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.759 3.687 -1.975 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.676 2.767 0.117 1.00 0.00 H new ATOM 665 N SER A 47 -6.662 5.737 -5.962 1.00 0.00 N ATOM 666 CA SER A 47 -7.496 6.571 -6.818 1.00 0.00 C ATOM 667 C SER A 47 -8.926 6.636 -6.287 1.00 0.00 C ATOM 668 O SER A 47 -9.444 7.701 -5.953 1.00 0.00 O ATOM 669 CB SER A 47 -7.495 6.032 -8.250 1.00 0.00 C ATOM 670 OG SER A 47 -8.763 6.206 -8.861 1.00 0.00 O ATOM 0 H SER A 47 -5.963 5.187 -6.461 1.00 0.00 H new ATOM 0 HA SER A 47 -7.080 7.579 -6.817 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.732 6.546 -8.835 1.00 0.00 H new ATOM 0 HB3 SER A 47 -7.233 4.974 -8.244 1.00 0.00 H new ATOM 0 HG SER A 47 -8.736 5.855 -9.776 1.00 0.00 H new ATOM 676 N PRO A 48 -9.579 5.467 -6.208 1.00 0.00 N ATOM 677 CA PRO A 48 -10.958 5.362 -5.719 1.00 0.00 C ATOM 678 C PRO A 48 -11.064 5.635 -4.223 1.00 0.00 C ATOM 679 O PRO A 48 -11.917 6.405 -3.782 1.00 0.00 O ATOM 680 CB PRO A 48 -11.333 3.910 -6.027 1.00 0.00 C ATOM 681 CG PRO A 48 -10.034 3.180 -6.056 1.00 0.00 C ATOM 682 CD PRO A 48 -9.023 4.158 -6.590 1.00 0.00 C ATOM 0 HA PRO A 48 -11.615 6.095 -6.188 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.999 3.503 -5.266 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.853 3.830 -6.981 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -9.757 2.837 -5.059 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -10.096 2.297 -6.692 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -8.038 3.997 -6.152 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.910 4.069 -7.670 1.00 0.00 H new ATOM 690 N PHE A 49 -10.192 5.000 -3.447 1.00 0.00 N ATOM 691 CA PHE A 49 -10.189 5.174 -1.999 1.00 0.00 C ATOM 692 C PHE A 49 -10.362 6.644 -1.628 1.00 0.00 C ATOM 693 O PHE A 49 -10.857 6.968 -0.549 1.00 0.00 O ATOM 694 CB PHE A 49 -8.886 4.636 -1.403 1.00 0.00 C ATOM 695 CG PHE A 49 -8.954 3.185 -1.024 1.00 0.00 C ATOM 696 CD1 PHE A 49 -9.934 2.726 -0.159 1.00 0.00 C ATOM 697 CD2 PHE A 49 -8.038 2.279 -1.534 1.00 0.00 C ATOM 698 CE1 PHE A 49 -10.000 1.391 0.191 1.00 0.00 C ATOM 699 CE2 PHE A 49 -8.099 0.942 -1.188 1.00 0.00 C ATOM 700 CZ PHE A 49 -9.080 0.497 -0.323 1.00 0.00 C ATOM 0 H PHE A 49 -9.478 4.360 -3.796 1.00 0.00 H new ATOM 0 HA PHE A 49 -11.028 4.612 -1.588 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.081 4.778 -2.124 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.630 5.222 -0.520 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -10.655 3.420 0.247 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.268 2.621 -2.209 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -10.770 1.046 0.866 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.380 0.246 -1.594 1.00 0.00 H new ATOM 0 HZ PHE A 49 -9.128 -0.547 -0.049 1.00 0.00 H new ATOM 710 N GLY A 50 -9.951 7.529 -2.530 1.00 0.00 N ATOM 711 CA GLY A 50 -10.069 8.954 -2.280 1.00 0.00 C ATOM 712 C GLY A 50 -9.188 9.779 -3.197 1.00 0.00 C ATOM 713 O GLY A 50 -8.885 9.362 -4.315 1.00 0.00 O ATOM 0 H GLY A 50 -9.538 7.285 -3.430 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.108 9.258 -2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.803 9.161 -1.243 1.00 0.00 H new ATOM 717 N GLN A 51 -8.779 10.952 -2.726 1.00 0.00 N ATOM 718 CA GLN A 51 -7.931 11.838 -3.514 1.00 0.00 C ATOM 719 C GLN A 51 -6.489 11.796 -3.016 1.00 0.00 C ATOM 720 O GLN A 51 -6.240 11.660 -1.818 1.00 0.00 O ATOM 721 CB GLN A 51 -8.461 13.272 -3.456 1.00 0.00 C ATOM 722 CG GLN A 51 -9.150 13.718 -4.735 1.00 0.00 C ATOM 723 CD GLN A 51 -10.429 14.487 -4.472 1.00 0.00 C ATOM 724 OE1 GLN A 51 -11.521 13.920 -4.481 1.00 0.00 O ATOM 725 NE2 GLN A 51 -10.299 15.789 -4.236 1.00 0.00 N ATOM 0 H GLN A 51 -9.021 11.311 -1.802 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.950 11.493 -4.548 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -9.163 13.358 -2.626 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -7.633 13.948 -3.244 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -8.468 14.342 -5.312 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -9.375 12.844 -5.345 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -9.374 16.218 -4.238 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -11.125 16.359 -4.053 1.00 0.00 H new ATOM 734 N ILE A 52 -5.546 11.912 -3.944 1.00 0.00 N ATOM 735 CA ILE A 52 -4.130 11.887 -3.598 1.00 0.00 C ATOM 736 C ILE A 52 -3.443 13.187 -4.004 1.00 0.00 C ATOM 737 O ILE A 52 -3.792 13.797 -5.015 1.00 0.00 O ATOM 738 CB ILE A 52 -3.406 10.707 -4.272 1.00 0.00 C ATOM 739 CG1 ILE A 52 -4.229 9.425 -4.125 1.00 0.00 C ATOM 740 CG2 ILE A 52 -2.019 10.523 -3.673 1.00 0.00 C ATOM 741 CD1 ILE A 52 -3.866 8.355 -5.130 1.00 0.00 C ATOM 0 H ILE A 52 -5.736 12.024 -4.940 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.072 11.769 -2.516 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.295 10.927 -5.334 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.092 9.028 -3.119 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.286 9.668 -4.231 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.520 9.685 -4.160 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.434 11.430 -3.824 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.108 10.322 -2.605 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.489 7.476 -4.966 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.030 8.733 -6.139 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.817 8.084 -5.010 1.00 0.00 H new ATOM 753 N MET A 53 -2.464 13.605 -3.209 1.00 0.00 N ATOM 754 CA MET A 53 -1.725 14.832 -3.487 1.00 0.00 C ATOM 755 C MET A 53 -0.336 14.518 -4.033 1.00 0.00 C ATOM 756 O MET A 53 0.089 15.087 -5.039 1.00 0.00 O ATOM 757 CB MET A 53 -1.607 15.680 -2.219 1.00 0.00 C ATOM 758 CG MET A 53 -2.838 15.616 -1.330 1.00 0.00 C ATOM 759 SD MET A 53 -4.376 15.601 -2.271 1.00 0.00 S ATOM 760 CE MET A 53 -4.443 17.299 -2.838 1.00 0.00 C ATOM 0 H MET A 53 -2.164 13.113 -2.368 1.00 0.00 H new ATOM 0 HA MET A 53 -2.275 15.394 -4.242 1.00 0.00 H new ATOM 0 HB2 MET A 53 -0.739 15.348 -1.649 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.426 16.717 -2.501 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.787 14.721 -0.710 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.838 16.472 -0.655 1.00 0.00 H new ATOM 0 HE1 MET A 53 -5.477 17.645 -2.830 1.00 0.00 H new ATOM 0 HE2 MET A 53 -3.845 17.927 -2.178 1.00 0.00 H new ATOM 0 HE3 MET A 53 -4.048 17.360 -3.852 1.00 0.00 H new ATOM 770 N GLU A 54 0.368 13.610 -3.364 1.00 0.00 N ATOM 771 CA GLU A 54 1.710 13.223 -3.783 1.00 0.00 C ATOM 772 C GLU A 54 1.957 11.741 -3.517 1.00 0.00 C ATOM 773 O GLU A 54 1.525 11.203 -2.497 1.00 0.00 O ATOM 774 CB GLU A 54 2.759 14.066 -3.054 1.00 0.00 C ATOM 775 CG GLU A 54 4.102 14.110 -3.762 1.00 0.00 C ATOM 776 CD GLU A 54 4.788 15.456 -3.627 1.00 0.00 C ATOM 777 OE1 GLU A 54 4.960 15.922 -2.481 1.00 0.00 O ATOM 778 OE2 GLU A 54 5.152 16.043 -4.667 1.00 0.00 O ATOM 0 H GLU A 54 0.031 13.129 -2.530 1.00 0.00 H new ATOM 0 HA GLU A 54 1.794 13.400 -4.855 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.383 15.083 -2.943 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.900 13.667 -2.050 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.749 13.334 -3.354 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.959 13.883 -4.819 1.00 0.00 H new ATOM 785 N ILE A 55 2.653 11.087 -4.440 1.00 0.00 N ATOM 786 CA ILE A 55 2.958 9.669 -4.305 1.00 0.00 C ATOM 787 C ILE A 55 4.446 9.403 -4.516 1.00 0.00 C ATOM 788 O ILE A 55 5.046 9.899 -5.470 1.00 0.00 O ATOM 789 CB ILE A 55 2.150 8.822 -5.306 1.00 0.00 C ATOM 790 CG1 ILE A 55 0.651 9.041 -5.099 1.00 0.00 C ATOM 791 CG2 ILE A 55 2.501 7.349 -5.157 1.00 0.00 C ATOM 792 CD1 ILE A 55 -0.215 8.093 -5.899 1.00 0.00 C ATOM 0 H ILE A 55 3.017 11.517 -5.290 1.00 0.00 H new ATOM 0 HA ILE A 55 2.681 9.382 -3.291 1.00 0.00 H new ATOM 0 HB ILE A 55 2.408 9.137 -6.317 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.418 8.927 -4.040 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.401 10.066 -5.372 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.922 6.763 -5.871 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.565 7.207 -5.349 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.268 7.020 -4.144 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.266 8.306 -5.703 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.011 8.223 -6.962 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.007 7.066 -5.610 1.00 0.00 H new ATOM 804 N ARG A 56 5.033 8.617 -3.620 1.00 0.00 N ATOM 805 CA ARG A 56 6.449 8.285 -3.708 1.00 0.00 C ATOM 806 C ARG A 56 6.662 6.778 -3.606 1.00 0.00 C ATOM 807 O ARG A 56 6.460 6.181 -2.548 1.00 0.00 O ATOM 808 CB ARG A 56 7.232 8.996 -2.601 1.00 0.00 C ATOM 809 CG ARG A 56 8.212 10.037 -3.120 1.00 0.00 C ATOM 810 CD ARG A 56 9.192 9.432 -4.111 1.00 0.00 C ATOM 811 NE ARG A 56 9.060 10.020 -5.441 1.00 0.00 N ATOM 812 CZ ARG A 56 9.872 9.740 -6.454 1.00 0.00 C ATOM 813 NH1 ARG A 56 10.870 8.883 -6.289 1.00 0.00 N ATOM 814 NH2 ARG A 56 9.687 10.315 -7.635 1.00 0.00 N ATOM 0 H ARG A 56 4.550 8.198 -2.825 1.00 0.00 H new ATOM 0 HA ARG A 56 6.815 8.622 -4.678 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.529 9.478 -1.922 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.778 8.253 -2.019 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.663 10.849 -3.598 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.760 10.472 -2.284 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.210 9.579 -3.749 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.027 8.356 -4.172 1.00 0.00 H new ATOM 0 HE ARG A 56 8.302 10.683 -5.601 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.015 8.438 -5.383 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.493 8.669 -7.068 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.920 10.974 -7.767 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.312 10.098 -8.411 1.00 0.00 H new ATOM 828 N VAL A 57 7.070 6.167 -4.714 1.00 0.00 N ATOM 829 CA VAL A 57 7.310 4.730 -4.751 1.00 0.00 C ATOM 830 C VAL A 57 8.788 4.415 -4.547 1.00 0.00 C ATOM 831 O VAL A 57 9.654 4.994 -5.202 1.00 0.00 O ATOM 832 CB VAL A 57 6.845 4.117 -6.085 1.00 0.00 C ATOM 833 CG1 VAL A 57 5.432 4.571 -6.417 1.00 0.00 C ATOM 834 CG2 VAL A 57 7.810 4.481 -7.203 1.00 0.00 C ATOM 0 H VAL A 57 7.241 6.646 -5.598 1.00 0.00 H new ATOM 0 HA VAL A 57 6.732 4.291 -3.938 1.00 0.00 H new ATOM 0 HB VAL A 57 6.837 3.032 -5.984 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.120 4.128 -7.363 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.753 4.253 -5.626 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.409 5.658 -6.500 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.466 4.040 -8.138 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.853 5.565 -7.308 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.803 4.099 -6.965 1.00 0.00 H new ATOM 844 N PHE A 58 9.070 3.490 -3.634 1.00 0.00 N ATOM 845 CA PHE A 58 10.443 3.097 -3.342 1.00 0.00 C ATOM 846 C PHE A 58 10.653 1.611 -3.619 1.00 0.00 C ATOM 847 O PHE A 58 10.590 0.772 -2.720 1.00 0.00 O ATOM 848 CB PHE A 58 10.788 3.410 -1.885 1.00 0.00 C ATOM 849 CG PHE A 58 11.227 4.829 -1.665 1.00 0.00 C ATOM 850 CD1 PHE A 58 10.394 5.887 -1.995 1.00 0.00 C ATOM 851 CD2 PHE A 58 12.475 5.107 -1.129 1.00 0.00 C ATOM 852 CE1 PHE A 58 10.796 7.193 -1.793 1.00 0.00 C ATOM 853 CE2 PHE A 58 12.881 6.412 -0.924 1.00 0.00 C ATOM 854 CZ PHE A 58 12.042 7.456 -1.259 1.00 0.00 C ATOM 0 H PHE A 58 8.365 2.999 -3.084 1.00 0.00 H new ATOM 0 HA PHE A 58 11.104 3.668 -3.994 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.917 3.207 -1.262 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.580 2.738 -1.555 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.419 5.688 -2.415 1.00 0.00 H new ATOM 0 HD2 PHE A 58 13.137 4.295 -0.869 1.00 0.00 H new ATOM 0 HE1 PHE A 58 10.136 8.008 -2.053 1.00 0.00 H new ATOM 0 HE2 PHE A 58 13.854 6.615 -0.502 1.00 0.00 H new ATOM 0 HZ PHE A 58 12.360 8.476 -1.104 1.00 0.00 H new ATOM 864 N PRO A 59 10.910 1.277 -4.892 1.00 0.00 N ATOM 865 CA PRO A 59 11.135 -0.108 -5.317 1.00 0.00 C ATOM 866 C PRO A 59 12.458 -0.664 -4.802 1.00 0.00 C ATOM 867 O PRO A 59 12.759 -1.844 -4.985 1.00 0.00 O ATOM 868 CB PRO A 59 11.155 -0.012 -6.845 1.00 0.00 C ATOM 869 CG PRO A 59 11.568 1.391 -7.131 1.00 0.00 C ATOM 870 CD PRO A 59 11.001 2.226 -6.015 1.00 0.00 C ATOM 0 HA PRO A 59 10.372 -0.782 -4.928 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.855 -0.727 -7.277 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.175 -0.230 -7.268 1.00 0.00 H new ATOM 0 HG2 PRO A 59 12.654 1.478 -7.170 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.187 1.721 -8.097 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.648 3.070 -5.776 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.025 2.636 -6.275 1.00 0.00 H new ATOM 878 N GLU A 60 13.244 0.191 -4.156 1.00 0.00 N ATOM 879 CA GLU A 60 14.535 -0.217 -3.615 1.00 0.00 C ATOM 880 C GLU A 60 14.426 -0.532 -2.126 1.00 0.00 C ATOM 881 O GLU A 60 15.261 -1.242 -1.567 1.00 0.00 O ATOM 882 CB GLU A 60 15.578 0.880 -3.841 1.00 0.00 C ATOM 883 CG GLU A 60 15.169 1.901 -4.889 1.00 0.00 C ATOM 884 CD GLU A 60 16.361 2.544 -5.572 1.00 0.00 C ATOM 885 OE1 GLU A 60 17.001 1.869 -6.405 1.00 0.00 O ATOM 886 OE2 GLU A 60 16.653 3.721 -5.274 1.00 0.00 O ATOM 0 H GLU A 60 13.009 1.170 -3.995 1.00 0.00 H new ATOM 0 HA GLU A 60 14.850 -1.120 -4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 60 15.763 1.394 -2.898 1.00 0.00 H new ATOM 0 HB3 GLU A 60 16.519 0.419 -4.142 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.543 1.416 -5.638 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.562 2.675 -4.419 1.00 0.00 H new ATOM 893 N LYS A 61 13.389 0.002 -1.490 1.00 0.00 N ATOM 894 CA LYS A 61 13.167 -0.221 -0.065 1.00 0.00 C ATOM 895 C LYS A 61 11.963 -1.129 0.162 1.00 0.00 C ATOM 896 O LYS A 61 11.892 -1.842 1.162 1.00 0.00 O ATOM 897 CB LYS A 61 12.956 1.114 0.653 1.00 0.00 C ATOM 898 CG LYS A 61 14.103 2.092 0.469 1.00 0.00 C ATOM 899 CD LYS A 61 15.426 1.490 0.912 1.00 0.00 C ATOM 900 CE LYS A 61 16.210 2.454 1.791 1.00 0.00 C ATOM 901 NZ LYS A 61 17.264 3.173 1.022 1.00 0.00 N ATOM 0 H LYS A 61 12.688 0.593 -1.938 1.00 0.00 H new ATOM 0 HA LYS A 61 14.051 -0.711 0.344 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.037 1.572 0.288 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.817 0.926 1.718 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.168 2.385 -0.579 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.905 2.998 1.041 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.241 0.565 1.459 1.00 0.00 H new ATOM 0 HD3 LYS A 61 16.020 1.229 0.036 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.527 3.178 2.235 1.00 0.00 H new ATOM 0 HE3 LYS A 61 16.670 1.904 2.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 17.776 3.820 1.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 17.931 2.484 0.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.823 3.718 0.254 1.00 0.00 H new ATOM 915 N GLY A 62 11.019 -1.099 -0.774 1.00 0.00 N ATOM 916 CA GLY A 62 9.833 -1.925 -0.656 1.00 0.00 C ATOM 917 C GLY A 62 8.698 -1.214 0.055 1.00 0.00 C ATOM 918 O GLY A 62 7.976 -1.819 0.848 1.00 0.00 O ATOM 0 H GLY A 62 11.055 -0.517 -1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.503 -2.225 -1.651 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.082 -2.837 -0.114 1.00 0.00 H new ATOM 922 N TYR A 63 8.542 0.075 -0.226 1.00 0.00 N ATOM 923 CA TYR A 63 7.491 0.871 0.396 1.00 0.00 C ATOM 924 C TYR A 63 7.132 2.074 -0.472 1.00 0.00 C ATOM 925 O TYR A 63 7.870 2.433 -1.390 1.00 0.00 O ATOM 926 CB TYR A 63 7.933 1.342 1.783 1.00 0.00 C ATOM 927 CG TYR A 63 8.912 2.493 1.748 1.00 0.00 C ATOM 928 CD1 TYR A 63 8.493 3.779 1.432 1.00 0.00 C ATOM 929 CD2 TYR A 63 10.258 2.295 2.031 1.00 0.00 C ATOM 930 CE1 TYR A 63 9.384 4.834 1.398 1.00 0.00 C ATOM 931 CE2 TYR A 63 11.157 3.343 2.001 1.00 0.00 C ATOM 932 CZ TYR A 63 10.716 4.611 1.684 1.00 0.00 C ATOM 933 OH TYR A 63 11.606 5.659 1.652 1.00 0.00 O ATOM 0 H TYR A 63 9.130 0.591 -0.881 1.00 0.00 H new ATOM 0 HA TYR A 63 6.606 0.243 0.498 1.00 0.00 H new ATOM 0 HB2 TYR A 63 7.054 1.641 2.353 1.00 0.00 H new ATOM 0 HB3 TYR A 63 8.387 0.505 2.314 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.451 3.957 1.209 1.00 0.00 H new ATOM 0 HD2 TYR A 63 10.607 1.304 2.279 1.00 0.00 H new ATOM 0 HE1 TYR A 63 9.041 5.827 1.149 1.00 0.00 H new ATOM 0 HE2 TYR A 63 12.199 3.171 2.224 1.00 0.00 H new ATOM 0 HH TYR A 63 12.232 5.534 0.908 1.00 0.00 H new ATOM 943 N SER A 64 5.994 2.691 -0.173 1.00 0.00 N ATOM 944 CA SER A 64 5.535 3.852 -0.927 1.00 0.00 C ATOM 945 C SER A 64 4.767 4.816 -0.027 1.00 0.00 C ATOM 946 O SER A 64 4.110 4.400 0.928 1.00 0.00 O ATOM 947 CB SER A 64 4.648 3.411 -2.094 1.00 0.00 C ATOM 948 OG SER A 64 4.424 4.479 -2.997 1.00 0.00 O ATOM 0 H SER A 64 5.373 2.407 0.585 1.00 0.00 H new ATOM 0 HA SER A 64 6.411 4.368 -1.320 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.119 2.580 -2.619 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.694 3.047 -1.712 1.00 0.00 H new ATOM 0 HG SER A 64 4.912 5.272 -2.693 1.00 0.00 H new ATOM 954 N PHE A 65 4.856 6.104 -0.339 1.00 0.00 N ATOM 955 CA PHE A 65 4.173 7.129 0.442 1.00 0.00 C ATOM 956 C PHE A 65 2.960 7.668 -0.312 1.00 0.00 C ATOM 957 O PHE A 65 3.011 7.875 -1.525 1.00 0.00 O ATOM 958 CB PHE A 65 5.132 8.274 0.774 1.00 0.00 C ATOM 959 CG PHE A 65 5.975 8.017 1.989 1.00 0.00 C ATOM 960 CD1 PHE A 65 5.405 7.527 3.154 1.00 0.00 C ATOM 961 CD2 PHE A 65 7.338 8.262 1.968 1.00 0.00 C ATOM 962 CE1 PHE A 65 6.179 7.290 4.274 1.00 0.00 C ATOM 963 CE2 PHE A 65 8.118 8.027 3.085 1.00 0.00 C ATOM 964 CZ PHE A 65 7.537 7.538 4.239 1.00 0.00 C ATOM 0 H PHE A 65 5.394 6.463 -1.127 1.00 0.00 H new ATOM 0 HA PHE A 65 3.829 6.673 1.371 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.785 8.450 -0.081 1.00 0.00 H new ATOM 0 HB3 PHE A 65 4.556 9.187 0.928 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.344 7.328 3.187 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.797 8.642 1.067 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.722 6.911 5.176 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.179 8.225 3.055 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.144 7.350 5.112 1.00 0.00 H new ATOM 974 N VAL A 66 1.871 7.893 0.416 1.00 0.00 N ATOM 975 CA VAL A 66 0.646 8.409 -0.184 1.00 0.00 C ATOM 976 C VAL A 66 -0.062 9.377 0.758 1.00 0.00 C ATOM 977 O VAL A 66 -0.687 8.963 1.735 1.00 0.00 O ATOM 978 CB VAL A 66 -0.323 7.268 -0.551 1.00 0.00 C ATOM 979 CG1 VAL A 66 -1.547 7.817 -1.268 1.00 0.00 C ATOM 980 CG2 VAL A 66 0.383 6.225 -1.404 1.00 0.00 C ATOM 0 H VAL A 66 1.812 7.726 1.421 1.00 0.00 H new ATOM 0 HA VAL A 66 0.937 8.937 -1.092 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.657 6.787 0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.220 6.997 -1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.063 8.524 -0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.237 8.324 -2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.315 5.426 -1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.746 6.690 -2.321 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.225 5.810 -0.849 1.00 0.00 H new ATOM 990 N ARG A 67 0.042 10.668 0.458 1.00 0.00 N ATOM 991 CA ARG A 67 -0.587 11.695 1.278 1.00 0.00 C ATOM 992 C ARG A 67 -1.950 12.082 0.715 1.00 0.00 C ATOM 993 O ARG A 67 -2.086 12.354 -0.478 1.00 0.00 O ATOM 994 CB ARG A 67 0.312 12.931 1.363 1.00 0.00 C ATOM 995 CG ARG A 67 1.247 12.924 2.561 1.00 0.00 C ATOM 996 CD ARG A 67 2.594 12.310 2.213 1.00 0.00 C ATOM 997 NE ARG A 67 3.277 13.054 1.158 1.00 0.00 N ATOM 998 CZ ARG A 67 4.594 13.038 0.981 1.00 0.00 C ATOM 999 NH1 ARG A 67 5.365 12.319 1.785 1.00 0.00 N ATOM 1000 NH2 ARG A 67 5.141 13.741 -0.002 1.00 0.00 N ATOM 0 H ARG A 67 0.556 11.027 -0.347 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.730 11.288 2.279 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.905 13.002 0.451 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.314 13.822 1.407 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.392 13.944 2.917 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.790 12.364 3.377 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.222 12.284 3.104 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.451 11.278 1.894 1.00 0.00 H new ATOM 0 HE ARG A 67 2.712 13.617 0.522 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.948 11.777 2.541 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.376 12.308 1.647 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.551 14.295 -0.623 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.152 13.728 -0.137 1.00 0.00 H new ATOM 1014 N PHE A 68 -2.959 12.106 1.581 1.00 0.00 N ATOM 1015 CA PHE A 68 -4.312 12.458 1.168 1.00 0.00 C ATOM 1016 C PHE A 68 -4.659 13.880 1.599 1.00 0.00 C ATOM 1017 O PHE A 68 -4.180 14.364 2.624 1.00 0.00 O ATOM 1018 CB PHE A 68 -5.322 11.473 1.764 1.00 0.00 C ATOM 1019 CG PHE A 68 -5.299 10.122 1.107 1.00 0.00 C ATOM 1020 CD1 PHE A 68 -4.267 9.232 1.358 1.00 0.00 C ATOM 1021 CD2 PHE A 68 -6.310 9.742 0.240 1.00 0.00 C ATOM 1022 CE1 PHE A 68 -4.244 7.989 0.755 1.00 0.00 C ATOM 1023 CE2 PHE A 68 -6.293 8.500 -0.367 1.00 0.00 C ATOM 1024 CZ PHE A 68 -5.258 7.622 -0.108 1.00 0.00 C ATOM 0 H PHE A 68 -2.864 11.886 2.572 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.359 12.404 0.080 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.118 11.355 2.828 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.324 11.894 1.677 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.472 9.513 2.033 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.122 10.424 0.036 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.434 7.305 0.958 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.087 8.217 -1.042 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.242 6.651 -0.580 1.00 0.00 H new ATOM 1034 N SER A 69 -5.494 14.545 0.806 1.00 0.00 N ATOM 1035 CA SER A 69 -5.901 15.913 1.101 1.00 0.00 C ATOM 1036 C SER A 69 -6.671 15.979 2.416 1.00 0.00 C ATOM 1037 O SER A 69 -6.741 17.028 3.058 1.00 0.00 O ATOM 1038 CB SER A 69 -6.763 16.467 -0.036 1.00 0.00 C ATOM 1039 OG SER A 69 -7.717 17.394 0.453 1.00 0.00 O ATOM 0 H SER A 69 -5.901 14.158 -0.045 1.00 0.00 H new ATOM 0 HA SER A 69 -5.002 16.521 1.196 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.126 16.952 -0.776 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.274 15.648 -0.542 1.00 0.00 H new ATOM 0 HG SER A 69 -8.254 17.735 -0.293 1.00 0.00 H new ATOM 1045 N THR A 70 -7.251 14.850 2.813 1.00 0.00 N ATOM 1046 CA THR A 70 -8.017 14.778 4.050 1.00 0.00 C ATOM 1047 C THR A 70 -7.626 13.553 4.869 1.00 0.00 C ATOM 1048 O THR A 70 -6.916 12.671 4.385 1.00 0.00 O ATOM 1049 CB THR A 70 -9.531 14.731 3.771 1.00 0.00 C ATOM 1050 OG1 THR A 70 -9.857 13.551 3.029 1.00 0.00 O ATOM 1051 CG2 THR A 70 -9.976 15.963 2.996 1.00 0.00 C ATOM 0 H THR A 70 -7.204 13.973 2.295 1.00 0.00 H new ATOM 0 HA THR A 70 -7.786 15.680 4.617 1.00 0.00 H new ATOM 0 HB THR A 70 -10.054 14.713 4.727 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.822 13.528 2.858 1.00 0.00 H new ATOM 0 HG21 THR A 70 -11.049 15.908 2.810 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.754 16.858 3.577 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.445 16.006 2.045 1.00 0.00 H new ATOM 1059 N HIS A 71 -8.093 13.504 6.113 1.00 0.00 N ATOM 1060 CA HIS A 71 -7.792 12.385 6.999 1.00 0.00 C ATOM 1061 C HIS A 71 -8.741 11.219 6.742 1.00 0.00 C ATOM 1062 O HIS A 71 -8.353 10.056 6.852 1.00 0.00 O ATOM 1063 CB HIS A 71 -7.889 12.825 8.460 1.00 0.00 C ATOM 1064 CG HIS A 71 -7.164 11.919 9.407 1.00 0.00 C ATOM 1065 ND1 HIS A 71 -5.791 11.912 9.540 1.00 0.00 N ATOM 1066 CD2 HIS A 71 -7.629 10.987 10.273 1.00 0.00 C ATOM 1067 CE1 HIS A 71 -5.444 11.014 10.445 1.00 0.00 C ATOM 1068 NE2 HIS A 71 -6.541 10.440 10.905 1.00 0.00 N ATOM 0 H HIS A 71 -8.681 14.226 6.530 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.774 12.054 6.794 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -7.486 13.834 8.555 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -8.939 12.873 8.748 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -5.145 12.507 9.021 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.664 10.724 10.436 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -4.435 10.788 10.756 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -6.574 9.709 11.615 1.00 0.00 H new ATOM 1076 N GLU A 72 -9.985 11.537 6.400 1.00 0.00 N ATOM 1077 CA GLU A 72 -10.989 10.515 6.130 1.00 0.00 C ATOM 1078 C GLU A 72 -10.550 9.612 4.982 1.00 0.00 C ATOM 1079 O GLU A 72 -10.374 8.406 5.158 1.00 0.00 O ATOM 1080 CB GLU A 72 -12.334 11.164 5.798 1.00 0.00 C ATOM 1081 CG GLU A 72 -13.166 11.503 7.023 1.00 0.00 C ATOM 1082 CD GLU A 72 -14.536 12.045 6.666 1.00 0.00 C ATOM 1083 OE1 GLU A 72 -15.308 11.317 6.006 1.00 0.00 O ATOM 1084 OE2 GLU A 72 -14.838 13.195 7.047 1.00 0.00 O ATOM 0 H GLU A 72 -10.322 12.495 6.303 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.100 9.906 7.027 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -12.157 12.075 5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -12.904 10.491 5.157 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.281 10.610 7.638 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.634 12.239 7.626 1.00 0.00 H new ATOM 1091 N SER A 73 -10.374 10.204 3.805 1.00 0.00 N ATOM 1092 CA SER A 73 -9.960 9.454 2.625 1.00 0.00 C ATOM 1093 C SER A 73 -8.844 8.471 2.971 1.00 0.00 C ATOM 1094 O SER A 73 -8.907 7.294 2.616 1.00 0.00 O ATOM 1095 CB SER A 73 -9.491 10.408 1.526 1.00 0.00 C ATOM 1096 OG SER A 73 -8.571 11.359 2.033 1.00 0.00 O ATOM 0 H SER A 73 -10.512 11.202 3.643 1.00 0.00 H new ATOM 0 HA SER A 73 -10.820 8.890 2.263 1.00 0.00 H new ATOM 0 HB2 SER A 73 -9.024 9.839 0.722 1.00 0.00 H new ATOM 0 HB3 SER A 73 -10.350 10.922 1.096 1.00 0.00 H new ATOM 0 HG SER A 73 -9.061 12.112 2.425 1.00 0.00 H new ATOM 1102 N ALA A 74 -7.825 8.964 3.666 1.00 0.00 N ATOM 1103 CA ALA A 74 -6.696 8.131 4.061 1.00 0.00 C ATOM 1104 C ALA A 74 -7.160 6.933 4.884 1.00 0.00 C ATOM 1105 O ALA A 74 -6.905 5.785 4.523 1.00 0.00 O ATOM 1106 CB ALA A 74 -5.683 8.952 4.846 1.00 0.00 C ATOM 0 H ALA A 74 -7.758 9.936 3.967 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.219 7.755 3.156 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.845 8.317 5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.320 9.772 4.226 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.157 9.356 5.741 1.00 0.00 H new ATOM 1112 N ALA A 75 -7.841 7.210 5.990 1.00 0.00 N ATOM 1113 CA ALA A 75 -8.342 6.155 6.863 1.00 0.00 C ATOM 1114 C ALA A 75 -9.123 5.112 6.071 1.00 0.00 C ATOM 1115 O ALA A 75 -9.054 3.918 6.361 1.00 0.00 O ATOM 1116 CB ALA A 75 -9.211 6.747 7.962 1.00 0.00 C ATOM 0 H ALA A 75 -8.059 8.156 6.303 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.486 5.659 7.321 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.578 5.948 8.606 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.622 7.448 8.553 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.057 7.270 7.515 1.00 0.00 H new ATOM 1122 N HIS A 76 -9.868 5.571 5.071 1.00 0.00 N ATOM 1123 CA HIS A 76 -10.665 4.677 4.237 1.00 0.00 C ATOM 1124 C HIS A 76 -9.776 3.659 3.531 1.00 0.00 C ATOM 1125 O HIS A 76 -10.121 2.482 3.433 1.00 0.00 O ATOM 1126 CB HIS A 76 -11.460 5.480 3.207 1.00 0.00 C ATOM 1127 CG HIS A 76 -12.743 6.038 3.742 1.00 0.00 C ATOM 1128 ND1 HIS A 76 -13.658 5.281 4.444 1.00 0.00 N ATOM 1129 CD2 HIS A 76 -13.261 7.286 3.676 1.00 0.00 C ATOM 1130 CE1 HIS A 76 -14.684 6.039 4.785 1.00 0.00 C ATOM 1131 NE2 HIS A 76 -14.468 7.261 4.331 1.00 0.00 N ATOM 0 H HIS A 76 -9.937 6.557 4.818 1.00 0.00 H new ATOM 0 HA HIS A 76 -11.360 4.140 4.882 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -10.841 6.300 2.842 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -11.680 4.841 2.352 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -12.810 8.142 3.197 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -15.552 5.715 5.340 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.096 8.056 4.448 1.00 0.00 H new ATOM 1139 N ALA A 77 -8.631 4.120 3.040 1.00 0.00 N ATOM 1140 CA ALA A 77 -7.692 3.249 2.343 1.00 0.00 C ATOM 1141 C ALA A 77 -6.912 2.383 3.327 1.00 0.00 C ATOM 1142 O ALA A 77 -6.599 1.228 3.039 1.00 0.00 O ATOM 1143 CB ALA A 77 -6.738 4.074 1.492 1.00 0.00 C ATOM 0 H ALA A 77 -8.331 5.092 3.112 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.263 2.588 1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.043 3.411 0.978 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.306 4.644 0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.180 4.759 2.131 1.00 0.00 H new ATOM 1149 N ILE A 78 -6.602 2.949 4.489 1.00 0.00 N ATOM 1150 CA ILE A 78 -5.860 2.227 5.515 1.00 0.00 C ATOM 1151 C ILE A 78 -6.676 1.065 6.070 1.00 0.00 C ATOM 1152 O ILE A 78 -6.248 -0.088 6.018 1.00 0.00 O ATOM 1153 CB ILE A 78 -5.457 3.157 6.676 1.00 0.00 C ATOM 1154 CG1 ILE A 78 -4.522 4.260 6.174 1.00 0.00 C ATOM 1155 CG2 ILE A 78 -4.793 2.358 7.787 1.00 0.00 C ATOM 1156 CD1 ILE A 78 -4.157 5.272 7.238 1.00 0.00 C ATOM 0 H ILE A 78 -6.853 3.904 4.743 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.959 1.840 5.039 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.356 3.624 7.078 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.610 3.805 5.789 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.997 4.777 5.340 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.514 3.028 8.600 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.488 1.605 8.159 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.901 1.867 7.399 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.493 6.024 6.812 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.062 5.755 7.607 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.653 4.767 8.062 1.00 0.00 H new ATOM 1168 N VAL A 79 -7.855 1.375 6.598 1.00 0.00 N ATOM 1169 CA VAL A 79 -8.734 0.356 7.159 1.00 0.00 C ATOM 1170 C VAL A 79 -8.902 -0.815 6.197 1.00 0.00 C ATOM 1171 O VAL A 79 -9.006 -1.966 6.618 1.00 0.00 O ATOM 1172 CB VAL A 79 -10.122 0.934 7.495 1.00 0.00 C ATOM 1173 CG1 VAL A 79 -10.027 1.911 8.656 1.00 0.00 C ATOM 1174 CG2 VAL A 79 -10.729 1.606 6.271 1.00 0.00 C ATOM 0 H VAL A 79 -8.224 2.324 6.649 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.264 0.004 8.077 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.775 0.114 7.794 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -11.017 2.309 8.879 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.637 1.396 9.534 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.359 2.730 8.389 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.709 2.009 6.526 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.079 2.416 5.940 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.834 0.875 5.469 1.00 0.00 H new ATOM 1184 N SER A 80 -8.926 -0.512 4.904 1.00 0.00 N ATOM 1185 CA SER A 80 -9.084 -1.539 3.881 1.00 0.00 C ATOM 1186 C SER A 80 -7.734 -2.136 3.496 1.00 0.00 C ATOM 1187 O SER A 80 -7.430 -3.281 3.831 1.00 0.00 O ATOM 1188 CB SER A 80 -9.767 -0.955 2.642 1.00 0.00 C ATOM 1189 OG SER A 80 -11.174 -1.111 2.715 1.00 0.00 O ATOM 0 H SER A 80 -8.838 0.437 4.539 1.00 0.00 H new ATOM 0 HA SER A 80 -9.709 -2.332 4.292 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.519 0.103 2.551 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.389 -1.449 1.747 1.00 0.00 H new ATOM 0 HG SER A 80 -11.588 -0.729 1.913 1.00 0.00 H new ATOM 1195 N VAL A 81 -6.927 -1.351 2.791 1.00 0.00 N ATOM 1196 CA VAL A 81 -5.607 -1.799 2.360 1.00 0.00 C ATOM 1197 C VAL A 81 -4.897 -2.563 3.473 1.00 0.00 C ATOM 1198 O VAL A 81 -4.236 -3.569 3.224 1.00 0.00 O ATOM 1199 CB VAL A 81 -4.726 -0.614 1.923 1.00 0.00 C ATOM 1200 CG1 VAL A 81 -3.315 -1.085 1.608 1.00 0.00 C ATOM 1201 CG2 VAL A 81 -5.341 0.092 0.724 1.00 0.00 C ATOM 0 H VAL A 81 -7.163 -0.401 2.505 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.760 -2.461 1.508 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.670 0.098 2.746 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.707 -0.234 1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.877 -1.542 2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.347 -1.817 0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.706 0.927 0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.428 -0.609 -0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.330 0.465 0.989 1.00 0.00 H new ATOM 1211 N ASN A 82 -5.038 -2.075 4.701 1.00 0.00 N ATOM 1212 CA ASN A 82 -4.410 -2.713 5.853 1.00 0.00 C ATOM 1213 C ASN A 82 -4.638 -4.220 5.833 1.00 0.00 C ATOM 1214 O ASN A 82 -5.678 -4.708 6.274 1.00 0.00 O ATOM 1215 CB ASN A 82 -4.959 -2.120 7.153 1.00 0.00 C ATOM 1216 CG ASN A 82 -4.654 -2.988 8.358 1.00 0.00 C ATOM 1217 OD1 ASN A 82 -5.544 -3.625 8.919 1.00 0.00 O ATOM 1218 ND2 ASN A 82 -3.389 -3.014 8.762 1.00 0.00 N ATOM 0 H ASN A 82 -5.581 -1.241 4.924 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.338 -2.526 5.800 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.533 -1.129 7.305 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.038 -1.993 7.064 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -3.123 -3.579 9.569 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -2.684 -2.469 8.266 1.00 0.00 H new ATOM 1225 N GLY A 83 -3.657 -4.955 5.317 1.00 0.00 N ATOM 1226 CA GLY A 83 -3.769 -6.401 5.249 1.00 0.00 C ATOM 1227 C GLY A 83 -4.267 -6.880 3.900 1.00 0.00 C ATOM 1228 O GLY A 83 -4.888 -7.938 3.799 1.00 0.00 O ATOM 0 H GLY A 83 -2.787 -4.575 4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.796 -6.848 5.453 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.449 -6.747 6.028 1.00 0.00 H new ATOM 1232 N THR A 84 -3.996 -6.099 2.859 1.00 0.00 N ATOM 1233 CA THR A 84 -4.423 -6.448 1.509 1.00 0.00 C ATOM 1234 C THR A 84 -3.272 -7.041 0.705 1.00 0.00 C ATOM 1235 O THR A 84 -2.103 -6.768 0.980 1.00 0.00 O ATOM 1236 CB THR A 84 -4.980 -5.222 0.762 1.00 0.00 C ATOM 1237 OG1 THR A 84 -4.053 -4.134 0.847 1.00 0.00 O ATOM 1238 CG2 THR A 84 -6.322 -4.799 1.339 1.00 0.00 C ATOM 0 H THR A 84 -3.483 -5.220 2.925 1.00 0.00 H new ATOM 0 HA THR A 84 -5.213 -7.192 1.609 1.00 0.00 H new ATOM 0 HB THR A 84 -5.123 -5.496 -0.283 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.891 -3.915 1.788 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.695 -3.931 0.795 1.00 0.00 H new ATOM 0 HG22 THR A 84 -7.033 -5.619 1.245 1.00 0.00 H new ATOM 0 HG23 THR A 84 -6.201 -4.543 2.391 1.00 0.00 H new ATOM 1246 N THR A 85 -3.610 -7.853 -0.291 1.00 0.00 N ATOM 1247 CA THR A 85 -2.604 -8.485 -1.137 1.00 0.00 C ATOM 1248 C THR A 85 -2.603 -7.880 -2.535 1.00 0.00 C ATOM 1249 O THR A 85 -3.566 -8.031 -3.288 1.00 0.00 O ATOM 1250 CB THR A 85 -2.836 -10.004 -1.246 1.00 0.00 C ATOM 1251 OG1 THR A 85 -3.181 -10.541 0.036 1.00 0.00 O ATOM 1252 CG2 THR A 85 -1.595 -10.704 -1.778 1.00 0.00 C ATOM 0 H THR A 85 -4.573 -8.089 -0.532 1.00 0.00 H new ATOM 0 HA THR A 85 -1.637 -8.306 -0.667 1.00 0.00 H new ATOM 0 HB THR A 85 -3.657 -10.175 -1.943 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.328 -11.507 -0.043 1.00 0.00 H new ATOM 0 HG21 THR A 85 -1.783 -11.776 -1.846 1.00 0.00 H new ATOM 0 HG22 THR A 85 -1.353 -10.314 -2.767 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.758 -10.525 -1.103 1.00 0.00 H new ATOM 1260 N ILE A 86 -1.516 -7.197 -2.879 1.00 0.00 N ATOM 1261 CA ILE A 86 -1.390 -6.571 -4.189 1.00 0.00 C ATOM 1262 C ILE A 86 -0.447 -7.363 -5.088 1.00 0.00 C ATOM 1263 O ILE A 86 0.754 -7.444 -4.827 1.00 0.00 O ATOM 1264 CB ILE A 86 -0.876 -5.124 -4.075 1.00 0.00 C ATOM 1265 CG1 ILE A 86 -1.953 -4.225 -3.463 1.00 0.00 C ATOM 1266 CG2 ILE A 86 -0.455 -4.602 -5.440 1.00 0.00 C ATOM 1267 CD1 ILE A 86 -1.455 -2.840 -3.113 1.00 0.00 C ATOM 0 H ILE A 86 -0.710 -7.063 -2.268 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.387 -6.560 -4.630 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.005 -5.114 -3.420 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.783 -4.138 -4.164 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.344 -4.700 -2.563 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.094 -3.578 -5.343 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.340 -5.231 -5.840 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.309 -4.623 -6.117 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.271 -2.258 -2.684 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.644 -2.917 -2.389 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.091 -2.346 -4.014 1.00 0.00 H new ATOM 1279 N GLU A 87 -0.998 -7.946 -6.148 1.00 0.00 N ATOM 1280 CA GLU A 87 -0.205 -8.731 -7.087 1.00 0.00 C ATOM 1281 C GLU A 87 0.396 -9.954 -6.400 1.00 0.00 C ATOM 1282 O GLU A 87 1.380 -10.523 -6.871 1.00 0.00 O ATOM 1283 CB GLU A 87 0.910 -7.873 -7.690 1.00 0.00 C ATOM 1284 CG GLU A 87 0.402 -6.630 -8.402 1.00 0.00 C ATOM 1285 CD GLU A 87 0.316 -6.812 -9.904 1.00 0.00 C ATOM 1286 OE1 GLU A 87 -0.312 -7.795 -10.348 1.00 0.00 O ATOM 1287 OE2 GLU A 87 0.877 -5.970 -10.636 1.00 0.00 O ATOM 0 H GLU A 87 -1.990 -7.890 -6.378 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.865 -9.070 -7.886 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.596 -7.573 -6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.482 -8.477 -8.394 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.583 -6.371 -8.014 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.063 -5.792 -8.179 1.00 0.00 H new ATOM 1294 N GLY A 88 -0.205 -10.354 -5.284 1.00 0.00 N ATOM 1295 CA GLY A 88 0.285 -11.507 -4.550 1.00 0.00 C ATOM 1296 C GLY A 88 1.271 -11.127 -3.464 1.00 0.00 C ATOM 1297 O GLY A 88 1.891 -11.994 -2.846 1.00 0.00 O ATOM 0 H GLY A 88 -1.022 -9.901 -4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.558 -12.034 -4.103 1.00 0.00 H new ATOM 0 HA3 GLY A 88 0.762 -12.199 -5.244 1.00 0.00 H new ATOM 1301 N HIS A 89 1.420 -9.827 -3.230 1.00 0.00 N ATOM 1302 CA HIS A 89 2.341 -9.334 -2.212 1.00 0.00 C ATOM 1303 C HIS A 89 1.587 -8.584 -1.116 1.00 0.00 C ATOM 1304 O HIS A 89 0.928 -7.579 -1.380 1.00 0.00 O ATOM 1305 CB HIS A 89 3.390 -8.419 -2.842 1.00 0.00 C ATOM 1306 CG HIS A 89 4.131 -9.052 -3.980 1.00 0.00 C ATOM 1307 ND1 HIS A 89 5.331 -9.712 -3.822 1.00 0.00 N ATOM 1308 CD2 HIS A 89 3.833 -9.127 -5.298 1.00 0.00 C ATOM 1309 CE1 HIS A 89 5.740 -10.163 -4.995 1.00 0.00 C ATOM 1310 NE2 HIS A 89 4.849 -9.822 -5.907 1.00 0.00 N ATOM 0 H HIS A 89 0.915 -9.096 -3.731 1.00 0.00 H new ATOM 0 HA HIS A 89 2.842 -10.192 -1.764 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.902 -7.511 -3.197 1.00 0.00 H new ATOM 0 HB3 HIS A 89 4.105 -8.118 -2.076 1.00 0.00 H new ATOM 0 HD2 HIS A 89 2.959 -8.717 -5.781 1.00 0.00 H new ATOM 0 HE1 HIS A 89 6.649 -10.717 -5.177 1.00 0.00 H new ATOM 0 HE2 HIS A 89 4.906 -10.039 -6.902 1.00 0.00 H new ATOM 1318 N VAL A 90 1.690 -9.081 0.112 1.00 0.00 N ATOM 1319 CA VAL A 90 1.020 -8.458 1.247 1.00 0.00 C ATOM 1320 C VAL A 90 1.555 -7.052 1.498 1.00 0.00 C ATOM 1321 O VAL A 90 2.766 -6.836 1.545 1.00 0.00 O ATOM 1322 CB VAL A 90 1.190 -9.295 2.529 1.00 0.00 C ATOM 1323 CG1 VAL A 90 2.658 -9.617 2.766 1.00 0.00 C ATOM 1324 CG2 VAL A 90 0.596 -8.566 3.724 1.00 0.00 C ATOM 0 H VAL A 90 2.231 -9.913 0.346 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.039 -8.402 0.996 1.00 0.00 H new ATOM 0 HB VAL A 90 0.653 -10.235 2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.758 -10.209 3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.047 -10.183 1.920 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.221 -8.690 2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.725 -9.172 4.621 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.103 -7.610 3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.466 -8.393 3.553 1.00 0.00 H new ATOM 1334 N VAL A 91 0.643 -6.098 1.658 1.00 0.00 N ATOM 1335 CA VAL A 91 1.023 -4.711 1.905 1.00 0.00 C ATOM 1336 C VAL A 91 0.572 -4.257 3.288 1.00 0.00 C ATOM 1337 O VAL A 91 -0.357 -4.820 3.867 1.00 0.00 O ATOM 1338 CB VAL A 91 0.423 -3.768 0.846 1.00 0.00 C ATOM 1339 CG1 VAL A 91 0.737 -4.270 -0.555 1.00 0.00 C ATOM 1340 CG2 VAL A 91 -1.079 -3.628 1.047 1.00 0.00 C ATOM 0 H VAL A 91 -0.363 -6.260 1.621 1.00 0.00 H new ATOM 0 HA VAL A 91 2.110 -4.665 1.847 1.00 0.00 H new ATOM 0 HB VAL A 91 0.875 -2.783 0.963 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.305 -3.591 -1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.817 -4.314 -0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.314 -5.266 -0.688 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.487 -2.958 0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.551 -4.607 0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.277 -3.219 2.038 1.00 0.00 H new ATOM 1350 N LYS A 92 1.236 -3.233 3.814 1.00 0.00 N ATOM 1351 CA LYS A 92 0.904 -2.700 5.130 1.00 0.00 C ATOM 1352 C LYS A 92 0.576 -1.212 5.047 1.00 0.00 C ATOM 1353 O LYS A 92 1.385 -0.414 4.570 1.00 0.00 O ATOM 1354 CB LYS A 92 2.066 -2.923 6.101 1.00 0.00 C ATOM 1355 CG LYS A 92 3.337 -2.191 5.709 1.00 0.00 C ATOM 1356 CD LYS A 92 4.573 -2.890 6.247 1.00 0.00 C ATOM 1357 CE LYS A 92 5.681 -2.946 5.207 1.00 0.00 C ATOM 1358 NZ LYS A 92 6.486 -4.193 5.319 1.00 0.00 N ATOM 0 H LYS A 92 2.008 -2.755 3.349 1.00 0.00 H new ATOM 0 HA LYS A 92 0.024 -3.229 5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.763 -2.599 7.097 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.276 -3.991 6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.399 -2.125 4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 92 3.301 -1.170 6.089 1.00 0.00 H new ATOM 0 HD2 LYS A 92 4.931 -2.366 7.133 1.00 0.00 H new ATOM 0 HD3 LYS A 92 4.313 -3.902 6.558 1.00 0.00 H new ATOM 0 HE2 LYS A 92 5.246 -2.883 4.210 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.334 -2.081 5.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.230 -4.192 4.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 6.922 -4.241 6.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 5.869 -5.018 5.181 1.00 0.00 H new ATOM 1372 N CYS A 93 -0.612 -0.847 5.514 1.00 0.00 N ATOM 1373 CA CYS A 93 -1.047 0.546 5.493 1.00 0.00 C ATOM 1374 C CYS A 93 -0.970 1.160 6.887 1.00 0.00 C ATOM 1375 O CYS A 93 -1.630 0.697 7.818 1.00 0.00 O ATOM 1376 CB CYS A 93 -2.474 0.648 4.956 1.00 0.00 C ATOM 1377 SG CYS A 93 -2.614 1.562 3.402 1.00 0.00 S ATOM 0 H CYS A 93 -1.292 -1.495 5.912 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.379 1.100 4.834 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.869 -0.358 4.811 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -3.100 1.131 5.707 1.00 0.00 H new ATOM 0 HG CYS A 93 -3.551 2.457 3.508 1.00 0.00 H new ATOM 1383 N TYR A 94 -0.158 2.203 7.024 1.00 0.00 N ATOM 1384 CA TYR A 94 0.008 2.878 8.306 1.00 0.00 C ATOM 1385 C TYR A 94 -0.088 4.393 8.140 1.00 0.00 C ATOM 1386 O TYR A 94 -0.340 4.892 7.045 1.00 0.00 O ATOM 1387 CB TYR A 94 1.353 2.507 8.931 1.00 0.00 C ATOM 1388 CG TYR A 94 1.534 1.020 9.139 1.00 0.00 C ATOM 1389 CD1 TYR A 94 0.596 0.278 9.846 1.00 0.00 C ATOM 1390 CD2 TYR A 94 2.644 0.357 8.629 1.00 0.00 C ATOM 1391 CE1 TYR A 94 0.758 -1.080 10.040 1.00 0.00 C ATOM 1392 CE2 TYR A 94 2.813 -1.001 8.816 1.00 0.00 C ATOM 1393 CZ TYR A 94 1.867 -1.715 9.522 1.00 0.00 C ATOM 1394 OH TYR A 94 2.033 -3.068 9.712 1.00 0.00 O ATOM 0 H TYR A 94 0.395 2.599 6.264 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.795 2.551 8.967 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.155 2.876 8.292 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.451 3.014 9.891 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.275 0.772 10.251 1.00 0.00 H new ATOM 0 HD2 TYR A 94 3.387 0.913 8.077 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.020 -1.641 10.594 1.00 0.00 H new ATOM 0 HE2 TYR A 94 3.681 -1.501 8.412 1.00 0.00 H new ATOM 0 HH TYR A 94 2.865 -3.359 9.283 1.00 0.00 H new ATOM 1404 N TRP A 95 0.116 5.114 9.236 1.00 0.00 N ATOM 1405 CA TRP A 95 0.054 6.571 9.214 1.00 0.00 C ATOM 1406 C TRP A 95 1.450 7.173 9.107 1.00 0.00 C ATOM 1407 O TRP A 95 2.073 7.502 10.116 1.00 0.00 O ATOM 1408 CB TRP A 95 -0.645 7.092 10.472 1.00 0.00 C ATOM 1409 CG TRP A 95 -2.138 6.968 10.415 1.00 0.00 C ATOM 1410 CD1 TRP A 95 -2.922 6.151 11.179 1.00 0.00 C ATOM 1411 CD2 TRP A 95 -3.025 7.684 9.549 1.00 0.00 C ATOM 1412 NE1 TRP A 95 -4.243 6.314 10.838 1.00 0.00 N ATOM 1413 CE2 TRP A 95 -4.333 7.250 9.841 1.00 0.00 C ATOM 1414 CE3 TRP A 95 -2.842 8.649 8.554 1.00 0.00 C ATOM 1415 CZ2 TRP A 95 -5.449 7.750 9.174 1.00 0.00 C ATOM 1416 CZ3 TRP A 95 -3.950 9.142 7.894 1.00 0.00 C ATOM 1417 CH2 TRP A 95 -5.240 8.693 8.206 1.00 0.00 C ATOM 0 H TRP A 95 0.326 4.714 10.151 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.520 6.872 8.337 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.275 6.544 11.338 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.380 8.139 10.620 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.557 5.476 11.939 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -5.029 5.819 11.259 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.852 9.002 8.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -6.444 7.405 9.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.820 9.887 7.123 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -6.086 9.100 7.672 1.00 0.00 H new ATOM 1428 N GLY A 96 1.937 7.317 7.878 1.00 0.00 N ATOM 1429 CA GLY A 96 3.256 7.880 7.662 1.00 0.00 C ATOM 1430 C GLY A 96 3.599 8.956 8.674 1.00 0.00 C ATOM 1431 O GLY A 96 3.011 10.039 8.665 1.00 0.00 O ATOM 0 H GLY A 96 1.440 7.053 7.027 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.000 7.085 7.715 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.309 8.300 6.658 1.00 0.00 H new ATOM 1435 N LYS A 97 4.551 8.660 9.551 1.00 0.00 N ATOM 1436 CA LYS A 97 4.972 9.609 10.575 1.00 0.00 C ATOM 1437 C LYS A 97 6.484 9.562 10.771 1.00 0.00 C ATOM 1438 O LYS A 97 7.129 8.564 10.456 1.00 0.00 O ATOM 1439 CB LYS A 97 4.267 9.308 11.900 1.00 0.00 C ATOM 1440 CG LYS A 97 4.585 7.933 12.460 1.00 0.00 C ATOM 1441 CD LYS A 97 5.589 8.012 13.597 1.00 0.00 C ATOM 1442 CE LYS A 97 5.749 6.671 14.294 1.00 0.00 C ATOM 1443 NZ LYS A 97 5.988 6.830 15.757 1.00 0.00 N ATOM 0 H LYS A 97 5.047 7.769 9.574 1.00 0.00 H new ATOM 0 HA LYS A 97 4.696 10.610 10.242 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.551 10.064 12.632 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.190 9.392 11.756 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.668 7.463 12.815 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.981 7.299 11.667 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.554 8.339 13.209 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.265 8.762 14.319 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.853 6.070 14.136 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.581 6.127 13.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 6.092 5.893 16.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 6.857 7.381 15.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.183 7.327 16.188 1.00 0.00 H new ATOM 1457 N GLU A 98 7.043 10.651 11.293 1.00 0.00 N ATOM 1458 CA GLU A 98 8.478 10.732 11.531 1.00 0.00 C ATOM 1459 C GLU A 98 8.784 11.664 12.701 1.00 0.00 C ATOM 1460 O GLU A 98 9.374 11.250 13.699 1.00 0.00 O ATOM 1461 CB GLU A 98 9.199 11.222 10.274 1.00 0.00 C ATOM 1462 CG GLU A 98 9.854 10.108 9.475 1.00 0.00 C ATOM 1463 CD GLU A 98 11.326 9.942 9.801 1.00 0.00 C ATOM 1464 OE1 GLU A 98 11.640 9.603 10.962 1.00 0.00 O ATOM 1465 OE2 GLU A 98 12.161 10.152 8.898 1.00 0.00 O ATOM 0 H GLU A 98 6.523 11.488 11.558 1.00 0.00 H new ATOM 0 HA GLU A 98 8.836 9.733 11.781 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.486 11.744 9.636 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.960 11.948 10.561 1.00 0.00 H new ATOM 0 HG2 GLU A 98 9.334 9.171 9.673 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.743 10.316 8.411 1.00 0.00 H new ATOM 1472 N SER A 99 8.378 12.922 12.570 1.00 0.00 N ATOM 1473 CA SER A 99 8.612 13.914 13.612 1.00 0.00 C ATOM 1474 C SER A 99 7.346 14.717 13.892 1.00 0.00 C ATOM 1475 O SER A 99 7.179 15.845 13.426 1.00 0.00 O ATOM 1476 CB SER A 99 9.747 14.856 13.206 1.00 0.00 C ATOM 1477 OG SER A 99 10.923 14.588 13.951 1.00 0.00 O ATOM 0 H SER A 99 7.885 13.279 11.752 1.00 0.00 H new ATOM 0 HA SER A 99 8.896 13.386 14.522 1.00 0.00 H new ATOM 0 HB2 SER A 99 9.954 14.744 12.142 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.440 15.890 13.364 1.00 0.00 H new ATOM 0 HG SER A 99 11.634 15.202 13.672 1.00 0.00 H new ATOM 1483 N PRO A 100 6.429 14.124 14.672 1.00 0.00 N ATOM 1484 CA PRO A 100 5.161 14.765 15.032 1.00 0.00 C ATOM 1485 C PRO A 100 5.356 15.938 15.986 1.00 0.00 C ATOM 1486 O PRO A 100 4.472 16.782 16.136 1.00 0.00 O ATOM 1487 CB PRO A 100 4.378 13.643 15.717 1.00 0.00 C ATOM 1488 CG PRO A 100 5.422 12.718 16.241 1.00 0.00 C ATOM 1489 CD PRO A 100 6.561 12.781 15.262 1.00 0.00 C ATOM 0 HA PRO A 100 4.656 15.186 14.163 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.753 14.031 16.521 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.716 13.136 15.015 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.746 13.020 17.237 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.036 11.702 16.326 1.00 0.00 H new ATOM 0 HD2 PRO A 100 7.524 12.652 15.757 1.00 0.00 H new ATOM 0 HD3 PRO A 100 6.484 12.000 14.505 1.00 0.00 H new ATOM 1497 N ASP A 101 6.518 15.986 16.629 1.00 0.00 N ATOM 1498 CA ASP A 101 6.828 17.058 17.568 1.00 0.00 C ATOM 1499 C ASP A 101 7.587 18.185 16.873 1.00 0.00 C ATOM 1500 O ASP A 101 8.479 17.939 16.063 1.00 0.00 O ATOM 1501 CB ASP A 101 7.652 16.517 18.737 1.00 0.00 C ATOM 1502 CG ASP A 101 6.792 15.842 19.788 1.00 0.00 C ATOM 1503 OD1 ASP A 101 5.907 15.047 19.409 1.00 0.00 O ATOM 1504 OD2 ASP A 101 7.004 16.111 20.989 1.00 0.00 O ATOM 0 H ASP A 101 7.260 15.295 16.517 1.00 0.00 H new ATOM 0 HA ASP A 101 5.889 17.458 17.950 1.00 0.00 H new ATOM 0 HB2 ASP A 101 8.387 15.805 18.361 1.00 0.00 H new ATOM 0 HB3 ASP A 101 8.207 17.335 19.196 1.00 0.00 H new ATOM 1509 N MET A 102 7.224 19.422 17.197 1.00 0.00 N ATOM 1510 CA MET A 102 7.871 20.587 16.605 1.00 0.00 C ATOM 1511 C MET A 102 9.351 20.632 16.971 1.00 0.00 C ATOM 1512 O MET A 102 9.708 20.709 18.147 1.00 0.00 O ATOM 1513 CB MET A 102 7.179 21.871 17.067 1.00 0.00 C ATOM 1514 CG MET A 102 7.508 23.081 16.209 1.00 0.00 C ATOM 1515 SD MET A 102 6.280 24.393 16.359 1.00 0.00 S ATOM 1516 CE MET A 102 6.367 25.127 14.727 1.00 0.00 C ATOM 0 H MET A 102 6.486 19.643 17.866 1.00 0.00 H new ATOM 0 HA MET A 102 7.786 20.507 15.521 1.00 0.00 H new ATOM 0 HB2 MET A 102 6.100 21.715 17.062 1.00 0.00 H new ATOM 0 HB3 MET A 102 7.466 22.078 18.098 1.00 0.00 H new ATOM 0 HG2 MET A 102 8.486 23.469 16.495 1.00 0.00 H new ATOM 0 HG3 MET A 102 7.580 22.773 15.166 1.00 0.00 H new ATOM 0 HE1 MET A 102 5.662 25.956 14.663 1.00 0.00 H new ATOM 0 HE2 MET A 102 7.377 25.494 14.547 1.00 0.00 H new ATOM 0 HE3 MET A 102 6.114 24.378 13.977 1.00 0.00 H new ATOM 1526 N THR A 103 10.209 20.584 15.957 1.00 0.00 N ATOM 1527 CA THR A 103 11.650 20.618 16.173 1.00 0.00 C ATOM 1528 C THR A 103 12.221 21.995 15.854 1.00 0.00 C ATOM 1529 O THR A 103 12.637 22.259 14.725 1.00 0.00 O ATOM 1530 CB THR A 103 12.372 19.563 15.313 1.00 0.00 C ATOM 1531 OG1 THR A 103 11.722 18.294 15.446 1.00 0.00 O ATOM 1532 CG2 THR A 103 13.831 19.438 15.722 1.00 0.00 C ATOM 0 H THR A 103 9.931 20.521 14.978 1.00 0.00 H new ATOM 0 HA THR A 103 11.817 20.393 17.226 1.00 0.00 H new ATOM 0 HB THR A 103 12.330 19.884 14.272 1.00 0.00 H new ATOM 0 HG1 THR A 103 12.186 17.629 14.895 1.00 0.00 H new ATOM 0 HG21 THR A 103 14.320 18.687 15.101 1.00 0.00 H new ATOM 0 HG22 THR A 103 14.329 20.398 15.590 1.00 0.00 H new ATOM 0 HG23 THR A 103 13.891 19.138 16.768 1.00 0.00 H new ATOM 1540 N SER A 104 12.241 22.869 16.855 1.00 0.00 N ATOM 1541 CA SER A 104 12.759 24.221 16.680 1.00 0.00 C ATOM 1542 C SER A 104 13.911 24.489 17.644 1.00 0.00 C ATOM 1543 O SER A 104 13.763 24.359 18.858 1.00 0.00 O ATOM 1544 CB SER A 104 11.647 25.248 16.897 1.00 0.00 C ATOM 1545 OG SER A 104 10.688 25.189 15.855 1.00 0.00 O ATOM 0 H SER A 104 11.904 22.665 17.796 1.00 0.00 H new ATOM 0 HA SER A 104 13.133 24.312 15.660 1.00 0.00 H new ATOM 0 HB2 SER A 104 11.160 25.064 17.855 1.00 0.00 H new ATOM 0 HB3 SER A 104 12.076 26.249 16.944 1.00 0.00 H new ATOM 0 HG SER A 104 9.987 25.854 16.018 1.00 0.00 H new ATOM 1551 N GLY A 105 15.060 24.867 17.091 1.00 0.00 N ATOM 1552 CA GLY A 105 16.221 25.149 17.916 1.00 0.00 C ATOM 1553 C GLY A 105 17.402 25.644 17.103 1.00 0.00 C ATOM 1554 O GLY A 105 18.359 24.911 16.850 1.00 0.00 O ATOM 0 H GLY A 105 15.208 24.983 16.088 1.00 0.00 H new ATOM 0 HA2 GLY A 105 15.959 25.898 18.664 1.00 0.00 H new ATOM 0 HA3 GLY A 105 16.508 24.246 18.456 1.00 0.00 H new ATOM 1558 N PRO A 106 17.343 26.915 16.679 1.00 0.00 N ATOM 1559 CA PRO A 106 18.407 27.534 15.883 1.00 0.00 C ATOM 1560 C PRO A 106 19.680 27.759 16.692 1.00 0.00 C ATOM 1561 O PRO A 106 19.686 27.603 17.914 1.00 0.00 O ATOM 1562 CB PRO A 106 17.800 28.873 15.459 1.00 0.00 C ATOM 1563 CG PRO A 106 16.781 29.175 16.502 1.00 0.00 C ATOM 1564 CD PRO A 106 16.234 27.846 16.944 1.00 0.00 C ATOM 0 HA PRO A 106 18.709 26.904 15.047 1.00 0.00 H new ATOM 0 HB2 PRO A 106 18.559 29.654 15.410 1.00 0.00 H new ATOM 0 HB3 PRO A 106 17.346 28.806 14.470 1.00 0.00 H new ATOM 0 HG2 PRO A 106 17.227 29.711 17.340 1.00 0.00 H new ATOM 0 HG3 PRO A 106 15.990 29.809 16.102 1.00 0.00 H new ATOM 0 HD2 PRO A 106 15.960 27.855 17.999 1.00 0.00 H new ATOM 0 HD3 PRO A 106 15.339 27.574 16.385 1.00 0.00 H new ATOM 1572 N SER A 107 20.756 28.128 16.005 1.00 0.00 N ATOM 1573 CA SER A 107 22.035 28.373 16.660 1.00 0.00 C ATOM 1574 C SER A 107 22.792 29.502 15.969 1.00 0.00 C ATOM 1575 O SER A 107 22.413 29.947 14.886 1.00 0.00 O ATOM 1576 CB SER A 107 22.884 27.100 16.660 1.00 0.00 C ATOM 1577 OG SER A 107 22.893 26.493 17.940 1.00 0.00 O ATOM 0 H SER A 107 20.767 28.264 14.994 1.00 0.00 H new ATOM 0 HA SER A 107 21.837 28.669 17.690 1.00 0.00 H new ATOM 0 HB2 SER A 107 22.492 26.398 15.924 1.00 0.00 H new ATOM 0 HB3 SER A 107 23.904 27.340 16.361 1.00 0.00 H new ATOM 0 HG SER A 107 23.441 25.681 17.913 1.00 0.00 H new ATOM 1583 N SER A 108 23.866 29.962 16.605 1.00 0.00 N ATOM 1584 CA SER A 108 24.676 31.043 16.054 1.00 0.00 C ATOM 1585 C SER A 108 26.113 30.955 16.556 1.00 0.00 C ATOM 1586 O SER A 108 27.061 31.092 15.785 1.00 0.00 O ATOM 1587 CB SER A 108 24.075 32.400 16.428 1.00 0.00 C ATOM 1588 OG SER A 108 23.998 32.553 17.835 1.00 0.00 O ATOM 0 H SER A 108 24.195 29.603 17.501 1.00 0.00 H new ATOM 0 HA SER A 108 24.682 30.943 14.969 1.00 0.00 H new ATOM 0 HB2 SER A 108 24.683 33.200 16.005 1.00 0.00 H new ATOM 0 HB3 SER A 108 23.079 32.493 15.994 1.00 0.00 H new ATOM 0 HG SER A 108 23.612 33.428 18.048 1.00 0.00 H new ATOM 1594 N GLY A 109 26.266 30.726 17.857 1.00 0.00 N ATOM 1595 CA GLY A 109 27.591 30.622 18.441 1.00 0.00 C ATOM 1596 C GLY A 109 27.910 29.218 18.910 1.00 0.00 C ATOM 1597 O GLY A 109 27.128 28.606 19.639 1.00 0.00 O ATOM 0 H GLY A 109 25.497 30.611 18.517 1.00 0.00 H new ATOM 0 HA2 GLY A 109 28.334 30.934 17.706 1.00 0.00 H new ATOM 0 HA3 GLY A 109 27.668 31.309 19.284 1.00 0.00 H new TER 1601 GLY A 109