USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 542 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 30 HIS : no HE2:sc= 0.57 K(o=0.81,f=-3.8!) USER MOD Set 1.2: A 63 GLN : amide:sc= 0.238 K(o=0.81,f=0.21) USER MOD Single : A 1 MET CE :methyl 167:sc=-0.00898 (180deg=-0.219) USER MOD Single : A 1 MET N :NH3+ 158:sc= 0.989 (180deg=0.712) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0.374 K(o=0.37,f=-3.2!) USER MOD Single : A 9 GLN : amide:sc= -0.927 K(o=-0.93,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.293 K(o=-0.29,f=-1) USER MOD Single : A 14 SER OG : rot -170:sc= 0 USER MOD Single : A 16 SER OG : rot 85:sc= -0.121 USER MOD Single : A 21 MET CE :methyl -113:sc= -0.287 (180deg=-0.885) USER MOD Single : A 22 THR OG1 : rot 72:sc= 0.758 USER MOD Single : A 26 CYS SG : rot 170:sc= -0.367 USER MOD Single : A 27 THR OG1 : rot 52:sc= 0.217 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.501 K(o=0.5,f=-2.7!) USER MOD Single : A 37 TYR OH : rot 64:sc= 0.184 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 69:sc= 1.22 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 40:sc= 0.165 USER MOD Single : A 68 HIS : no HD1:sc= -0.0385 X(o=-0.038,f=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HE2:sc= -0.81 K(o=-0.81,f=-2.1!) USER MOD Single : A 71 HIS : no HD1:sc= -0.72 K(o=-0.72,f=-0.12) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.706 11.046 -0.435 1.00 0.00 N ATOM 2 CA MET A 1 7.228 10.351 -1.635 1.00 0.00 C ATOM 3 C MET A 1 6.096 10.094 -2.652 1.00 0.00 C ATOM 4 O MET A 1 4.974 9.740 -2.269 1.00 0.00 O ATOM 5 CB MET A 1 7.939 9.020 -1.238 1.00 0.00 C ATOM 6 CG MET A 1 7.040 7.965 -0.571 1.00 0.00 C ATOM 7 SD MET A 1 7.940 6.458 -0.133 1.00 0.00 S ATOM 8 CE MET A 1 9.014 7.027 1.185 1.00 0.00 C ATOM 0 H1 MET A 1 7.349 10.885 0.366 1.00 0.00 H new ATOM 0 H2 MET A 1 6.639 12.066 -0.626 1.00 0.00 H new ATOM 0 H3 MET A 1 5.763 10.675 -0.202 1.00 0.00 H new ATOM 0 HA MET A 1 7.967 10.996 -2.110 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.380 8.583 -2.134 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.760 9.254 -0.560 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.593 8.390 0.327 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.222 7.712 -1.245 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.449 6.168 1.696 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.811 7.641 0.765 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.436 7.618 1.896 1.00 0.00 H new ATOM 20 N LEU A 2 6.397 10.286 -3.947 1.00 0.00 N ATOM 21 CA LEU A 2 5.455 10.000 -5.049 1.00 0.00 C ATOM 22 C LEU A 2 5.505 8.495 -5.374 1.00 0.00 C ATOM 23 O LEU A 2 6.548 7.981 -5.796 1.00 0.00 O ATOM 24 CB LEU A 2 5.809 10.838 -6.306 1.00 0.00 C ATOM 25 CG LEU A 2 4.905 10.615 -7.573 1.00 0.00 C ATOM 26 CD1 LEU A 2 3.472 11.132 -7.345 1.00 0.00 C ATOM 27 CD2 LEU A 2 5.532 11.248 -8.834 1.00 0.00 C ATOM 0 H LEU A 2 7.299 10.643 -4.262 1.00 0.00 H new ATOM 0 HA LEU A 2 4.446 10.273 -4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.765 11.893 -6.036 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.841 10.622 -6.581 1.00 0.00 H new ATOM 0 HG LEU A 2 4.844 9.539 -7.739 1.00 0.00 H new ATOM 0 HD11 LEU A 2 2.876 10.961 -8.242 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.023 10.602 -6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 2 3.501 12.200 -7.127 1.00 0.00 H new ATOM 0 HD21 LEU A 2 4.880 11.075 -9.690 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.653 12.320 -8.681 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.506 10.796 -9.022 1.00 0.00 H new ATOM 39 N VAL A 3 4.390 7.798 -5.130 1.00 0.00 N ATOM 40 CA VAL A 3 4.253 6.341 -5.350 1.00 0.00 C ATOM 41 C VAL A 3 3.148 6.052 -6.375 1.00 0.00 C ATOM 42 O VAL A 3 2.538 6.979 -6.898 1.00 0.00 O ATOM 43 CB VAL A 3 3.954 5.605 -3.996 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.106 5.828 -2.993 1.00 0.00 C ATOM 45 CG2 VAL A 3 2.595 6.044 -3.398 1.00 0.00 C ATOM 0 H VAL A 3 3.540 8.231 -4.768 1.00 0.00 H new ATOM 0 HA VAL A 3 5.196 5.964 -5.746 1.00 0.00 H new ATOM 0 HB VAL A 3 3.884 4.537 -4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.882 5.311 -2.060 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.033 5.436 -3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.218 6.895 -2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.421 5.514 -2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.610 7.118 -3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.796 5.810 -4.101 1.00 0.00 H new ATOM 55 N THR A 4 2.912 4.765 -6.674 1.00 0.00 N ATOM 56 CA THR A 4 1.857 4.336 -7.606 1.00 0.00 C ATOM 57 C THR A 4 0.828 3.466 -6.859 1.00 0.00 C ATOM 58 O THR A 4 1.069 2.286 -6.608 1.00 0.00 O ATOM 59 CB THR A 4 2.477 3.555 -8.813 1.00 0.00 C ATOM 60 OG1 THR A 4 3.475 4.371 -9.443 1.00 0.00 O ATOM 61 CG2 THR A 4 1.420 3.146 -9.854 1.00 0.00 C ATOM 0 H THR A 4 3.447 3.993 -6.277 1.00 0.00 H new ATOM 0 HA THR A 4 1.350 5.216 -8.002 1.00 0.00 H new ATOM 0 HB THR A 4 2.919 2.640 -8.420 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.867 3.884 -10.198 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.902 2.608 -10.670 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.676 2.502 -9.384 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.932 4.038 -10.246 1.00 0.00 H new ATOM 69 N ILE A 5 -0.313 4.067 -6.484 1.00 0.00 N ATOM 70 CA ILE A 5 -1.413 3.371 -5.795 1.00 0.00 C ATOM 71 C ILE A 5 -2.531 3.079 -6.807 1.00 0.00 C ATOM 72 O ILE A 5 -3.031 4.014 -7.442 1.00 0.00 O ATOM 73 CB ILE A 5 -1.985 4.218 -4.596 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.851 4.571 -3.584 1.00 0.00 C ATOM 75 CG2 ILE A 5 -3.154 3.477 -3.877 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.273 5.499 -2.454 1.00 0.00 C ATOM 0 H ILE A 5 -0.500 5.056 -6.651 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.023 2.441 -5.381 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.386 5.145 -5.007 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.467 3.647 -3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.028 5.034 -4.128 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.523 4.091 -3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.961 3.296 -4.587 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.795 2.525 -3.485 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.421 5.688 -1.801 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.628 6.442 -2.871 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.073 5.032 -1.880 1.00 0.00 H new ATOM 88 N ASN A 6 -2.890 1.782 -6.961 1.00 0.00 N ATOM 89 CA ASN A 6 -3.977 1.315 -7.863 1.00 0.00 C ATOM 90 C ASN A 6 -3.720 1.718 -9.334 1.00 0.00 C ATOM 91 O ASN A 6 -4.661 1.908 -10.113 1.00 0.00 O ATOM 92 CB ASN A 6 -5.365 1.833 -7.363 1.00 0.00 C ATOM 93 CG ASN A 6 -5.814 1.203 -6.042 1.00 0.00 C ATOM 94 OD1 ASN A 6 -5.517 0.045 -5.766 1.00 0.00 O ATOM 95 ND2 ASN A 6 -6.511 1.966 -5.210 1.00 0.00 N ATOM 0 H ASN A 6 -2.431 1.022 -6.459 1.00 0.00 H new ATOM 0 HA ASN A 6 -3.988 0.225 -7.833 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.318 2.915 -7.242 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.116 1.630 -8.127 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -6.816 1.594 -4.311 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -6.742 2.925 -5.470 1.00 0.00 H new ATOM 102 N GLY A 7 -2.434 1.813 -9.717 1.00 0.00 N ATOM 103 CA GLY A 7 -2.043 2.172 -11.089 1.00 0.00 C ATOM 104 C GLY A 7 -1.943 3.683 -11.324 1.00 0.00 C ATOM 105 O GLY A 7 -1.566 4.114 -12.416 1.00 0.00 O ATOM 0 H GLY A 7 -1.646 1.645 -9.091 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.080 1.713 -11.315 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.768 1.752 -11.786 1.00 0.00 H new ATOM 109 N GLU A 8 -2.271 4.490 -10.296 1.00 0.00 N ATOM 110 CA GLU A 8 -2.213 5.966 -10.350 1.00 0.00 C ATOM 111 C GLU A 8 -1.010 6.473 -9.539 1.00 0.00 C ATOM 112 O GLU A 8 -0.787 6.003 -8.425 1.00 0.00 O ATOM 113 CB GLU A 8 -3.513 6.569 -9.754 1.00 0.00 C ATOM 114 CG GLU A 8 -3.544 8.110 -9.710 1.00 0.00 C ATOM 115 CD GLU A 8 -4.673 8.671 -8.835 1.00 0.00 C ATOM 116 OE1 GLU A 8 -4.487 8.790 -7.599 1.00 0.00 O ATOM 117 OE2 GLU A 8 -5.761 8.982 -9.364 1.00 0.00 O ATOM 0 H GLU A 8 -2.587 4.133 -9.395 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.110 6.273 -11.391 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.363 6.218 -10.340 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.644 6.187 -8.742 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.588 8.475 -9.335 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.656 8.493 -10.724 1.00 0.00 H new ATOM 124 N GLN A 9 -0.260 7.442 -10.089 1.00 0.00 N ATOM 125 CA GLN A 9 0.839 8.111 -9.367 1.00 0.00 C ATOM 126 C GLN A 9 0.250 9.151 -8.390 1.00 0.00 C ATOM 127 O GLN A 9 -0.346 10.140 -8.826 1.00 0.00 O ATOM 128 CB GLN A 9 1.820 8.780 -10.360 1.00 0.00 C ATOM 129 CG GLN A 9 2.529 7.796 -11.308 1.00 0.00 C ATOM 130 CD GLN A 9 3.531 8.440 -12.277 1.00 0.00 C ATOM 131 OE1 GLN A 9 3.724 7.955 -13.390 1.00 0.00 O ATOM 132 NE2 GLN A 9 4.192 9.520 -11.868 1.00 0.00 N ATOM 0 H GLN A 9 -0.396 7.783 -11.041 1.00 0.00 H new ATOM 0 HA GLN A 9 1.400 7.368 -8.800 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.274 9.511 -10.956 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.573 9.329 -9.795 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.053 7.051 -10.709 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.774 7.266 -11.888 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.015 9.905 -10.940 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.875 9.963 -12.482 1.00 0.00 H new ATOM 141 N ARG A 10 0.411 8.893 -7.085 1.00 0.00 N ATOM 142 CA ARG A 10 -0.114 9.736 -5.995 1.00 0.00 C ATOM 143 C ARG A 10 0.997 9.989 -4.960 1.00 0.00 C ATOM 144 O ARG A 10 1.733 9.059 -4.608 1.00 0.00 O ATOM 145 CB ARG A 10 -1.328 9.047 -5.320 1.00 0.00 C ATOM 146 CG ARG A 10 -1.961 9.867 -4.169 1.00 0.00 C ATOM 147 CD ARG A 10 -3.132 9.139 -3.503 1.00 0.00 C ATOM 148 NE ARG A 10 -4.227 8.873 -4.454 1.00 0.00 N ATOM 149 CZ ARG A 10 -5.468 8.495 -4.118 1.00 0.00 C ATOM 150 NH1 ARG A 10 -5.808 8.321 -2.845 1.00 0.00 N ATOM 151 NH2 ARG A 10 -6.365 8.288 -5.072 1.00 0.00 N ATOM 0 H ARG A 10 0.920 8.076 -6.748 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.444 10.689 -6.408 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.089 8.854 -6.076 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.013 8.079 -4.931 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.199 10.083 -3.420 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.307 10.825 -4.558 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.781 8.197 -3.081 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.508 9.739 -2.675 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.024 8.986 -5.447 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.120 8.475 -2.108 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.757 8.033 -2.605 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.108 8.417 -6.051 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.312 8.000 -4.827 1.00 0.00 H new ATOM 165 N GLU A 11 1.117 11.243 -4.484 1.00 0.00 N ATOM 166 CA GLU A 11 2.088 11.615 -3.436 1.00 0.00 C ATOM 167 C GLU A 11 1.517 11.237 -2.053 1.00 0.00 C ATOM 168 O GLU A 11 0.340 11.505 -1.764 1.00 0.00 O ATOM 169 CB GLU A 11 2.437 13.129 -3.494 1.00 0.00 C ATOM 170 CG GLU A 11 1.258 14.091 -3.213 1.00 0.00 C ATOM 171 CD GLU A 11 1.690 15.566 -3.143 1.00 0.00 C ATOM 172 OE1 GLU A 11 2.127 16.017 -2.058 1.00 0.00 O ATOM 173 OE2 GLU A 11 1.615 16.276 -4.170 1.00 0.00 O ATOM 0 H GLU A 11 0.547 12.023 -4.812 1.00 0.00 H new ATOM 0 HA GLU A 11 3.014 11.066 -3.608 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.229 13.330 -2.772 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.841 13.354 -4.481 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.507 13.975 -3.994 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.785 13.812 -2.272 1.00 0.00 H new ATOM 180 N VAL A 12 2.331 10.566 -1.226 1.00 0.00 N ATOM 181 CA VAL A 12 1.936 10.117 0.124 1.00 0.00 C ATOM 182 C VAL A 12 3.034 10.455 1.145 1.00 0.00 C ATOM 183 O VAL A 12 4.206 10.593 0.788 1.00 0.00 O ATOM 184 CB VAL A 12 1.625 8.567 0.174 1.00 0.00 C ATOM 185 CG1 VAL A 12 0.493 8.188 -0.814 1.00 0.00 C ATOM 186 CG2 VAL A 12 2.895 7.707 -0.072 1.00 0.00 C ATOM 0 H VAL A 12 3.289 10.316 -1.473 1.00 0.00 H new ATOM 0 HA VAL A 12 1.020 10.649 0.379 1.00 0.00 H new ATOM 0 HB VAL A 12 1.279 8.345 1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.303 7.116 -0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.415 8.732 -0.553 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.793 8.449 -1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.633 6.650 -0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.306 7.938 -1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.638 7.928 0.694 1.00 0.00 H new ATOM 196 N GLN A 13 2.633 10.587 2.421 1.00 0.00 N ATOM 197 CA GLN A 13 3.560 10.901 3.525 1.00 0.00 C ATOM 198 C GLN A 13 4.041 9.606 4.192 1.00 0.00 C ATOM 199 O GLN A 13 5.229 9.465 4.490 1.00 0.00 O ATOM 200 CB GLN A 13 2.871 11.858 4.549 1.00 0.00 C ATOM 201 CG GLN A 13 3.782 12.420 5.684 1.00 0.00 C ATOM 202 CD GLN A 13 4.031 11.454 6.854 1.00 0.00 C ATOM 203 OE1 GLN A 13 3.166 10.651 7.202 1.00 0.00 O ATOM 204 NE2 GLN A 13 5.208 11.531 7.469 1.00 0.00 N ATOM 0 H GLN A 13 1.663 10.480 2.717 1.00 0.00 H new ATOM 0 HA GLN A 13 4.435 11.415 3.129 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.448 12.700 4.001 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.038 11.326 5.009 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.743 12.700 5.253 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.330 13.332 6.075 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.904 12.208 7.156 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.415 10.913 8.254 1.00 0.00 H new ATOM 213 N SER A 14 3.099 8.677 4.413 1.00 0.00 N ATOM 214 CA SER A 14 3.337 7.430 5.151 1.00 0.00 C ATOM 215 C SER A 14 4.444 6.568 4.506 1.00 0.00 C ATOM 216 O SER A 14 4.348 6.192 3.335 1.00 0.00 O ATOM 217 CB SER A 14 2.031 6.623 5.253 1.00 0.00 C ATOM 218 OG SER A 14 1.014 7.377 5.892 1.00 0.00 O ATOM 0 H SER A 14 2.140 8.773 4.080 1.00 0.00 H new ATOM 0 HA SER A 14 3.681 7.703 6.149 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.701 6.332 4.256 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.211 5.703 5.810 1.00 0.00 H new ATOM 0 HG SER A 14 0.249 6.796 6.087 1.00 0.00 H new ATOM 224 N ALA A 15 5.499 6.297 5.297 1.00 0.00 N ATOM 225 CA ALA A 15 6.606 5.401 4.916 1.00 0.00 C ATOM 226 C ALA A 15 6.322 3.944 5.348 1.00 0.00 C ATOM 227 O ALA A 15 7.143 3.057 5.126 1.00 0.00 O ATOM 228 CB ALA A 15 7.923 5.910 5.533 1.00 0.00 C ATOM 0 H ALA A 15 5.608 6.698 6.228 1.00 0.00 H new ATOM 0 HA ALA A 15 6.698 5.406 3.830 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.739 5.245 5.249 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.131 6.916 5.168 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.832 5.930 6.619 1.00 0.00 H new ATOM 234 N SER A 16 5.162 3.723 5.986 1.00 0.00 N ATOM 235 CA SER A 16 4.669 2.392 6.378 1.00 0.00 C ATOM 236 C SER A 16 3.373 2.100 5.618 1.00 0.00 C ATOM 237 O SER A 16 2.550 3.005 5.429 1.00 0.00 O ATOM 238 CB SER A 16 4.410 2.331 7.899 1.00 0.00 C ATOM 239 OG SER A 16 3.880 1.079 8.290 1.00 0.00 O ATOM 0 H SER A 16 4.528 4.478 6.249 1.00 0.00 H new ATOM 0 HA SER A 16 5.423 1.645 6.131 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.341 2.515 8.434 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.718 3.124 8.182 1.00 0.00 H new ATOM 0 HG SER A 16 4.612 0.443 8.430 1.00 0.00 H new ATOM 245 N VAL A 17 3.201 0.839 5.188 1.00 0.00 N ATOM 246 CA VAL A 17 2.001 0.383 4.465 1.00 0.00 C ATOM 247 C VAL A 17 0.774 0.329 5.406 1.00 0.00 C ATOM 248 O VAL A 17 -0.339 0.615 4.969 1.00 0.00 O ATOM 249 CB VAL A 17 2.271 -1.007 3.767 1.00 0.00 C ATOM 250 CG1 VAL A 17 0.982 -1.659 3.198 1.00 0.00 C ATOM 251 CG2 VAL A 17 3.333 -0.840 2.648 1.00 0.00 C ATOM 0 H VAL A 17 3.893 0.104 5.332 1.00 0.00 H new ATOM 0 HA VAL A 17 1.771 1.106 3.682 1.00 0.00 H new ATOM 0 HB VAL A 17 2.648 -1.683 4.535 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.232 -2.612 2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.272 -1.827 4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.536 -0.997 2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.514 -1.803 2.171 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.970 -0.130 1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.262 -0.469 3.081 1.00 0.00 H new ATOM 261 N ALA A 18 0.991 -0.004 6.698 1.00 0.00 N ATOM 262 CA ALA A 18 -0.085 0.023 7.721 1.00 0.00 C ATOM 263 C ALA A 18 -0.632 1.441 7.878 1.00 0.00 C ATOM 264 O ALA A 18 -1.842 1.669 7.752 1.00 0.00 O ATOM 265 CB ALA A 18 0.419 -0.507 9.075 1.00 0.00 C ATOM 0 H ALA A 18 1.899 -0.295 7.059 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.888 -0.631 7.381 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.392 -0.475 9.803 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.761 -1.535 8.959 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.245 0.113 9.424 1.00 0.00 H new ATOM 271 N ALA A 19 0.295 2.386 8.117 1.00 0.00 N ATOM 272 CA ALA A 19 -0.023 3.808 8.277 1.00 0.00 C ATOM 273 C ALA A 19 -0.691 4.370 7.013 1.00 0.00 C ATOM 274 O ALA A 19 -1.649 5.132 7.110 1.00 0.00 O ATOM 275 CB ALA A 19 1.248 4.599 8.627 1.00 0.00 C ATOM 0 H ALA A 19 1.290 2.179 8.204 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.733 3.913 9.098 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.000 5.654 8.743 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.667 4.220 9.559 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.980 4.485 7.827 1.00 0.00 H new ATOM 281 N LEU A 20 -0.204 3.939 5.831 1.00 0.00 N ATOM 282 CA LEU A 20 -0.716 4.415 4.535 1.00 0.00 C ATOM 283 C LEU A 20 -2.160 3.972 4.314 1.00 0.00 C ATOM 284 O LEU A 20 -3.006 4.790 3.950 1.00 0.00 O ATOM 285 CB LEU A 20 0.171 3.940 3.356 1.00 0.00 C ATOM 286 CG LEU A 20 -0.288 4.416 1.936 1.00 0.00 C ATOM 287 CD1 LEU A 20 -0.421 5.949 1.873 1.00 0.00 C ATOM 288 CD2 LEU A 20 0.656 3.911 0.837 1.00 0.00 C ATOM 0 H LEU A 20 0.550 3.256 5.751 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.685 5.504 4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.189 4.289 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.202 2.850 3.363 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.272 3.982 1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.741 6.246 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.159 6.281 2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.542 6.407 2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.305 4.261 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.661 4.291 1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.673 2.821 0.845 1.00 0.00 H new ATOM 300 N MET A 21 -2.436 2.678 4.549 1.00 0.00 N ATOM 301 CA MET A 21 -3.783 2.125 4.362 1.00 0.00 C ATOM 302 C MET A 21 -4.748 2.707 5.411 1.00 0.00 C ATOM 303 O MET A 21 -5.929 2.790 5.157 1.00 0.00 O ATOM 304 CB MET A 21 -3.781 0.566 4.375 1.00 0.00 C ATOM 305 CG MET A 21 -2.930 -0.065 3.255 1.00 0.00 C ATOM 306 SD MET A 21 -3.117 -1.852 3.117 1.00 0.00 S ATOM 307 CE MET A 21 -4.734 -2.007 2.356 1.00 0.00 C ATOM 0 H MET A 21 -1.745 1.999 4.868 1.00 0.00 H new ATOM 0 HA MET A 21 -4.136 2.421 3.374 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.409 0.221 5.340 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.807 0.210 4.283 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.201 0.394 2.304 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.880 0.168 3.434 1.00 0.00 H new ATOM 0 HE1 MET A 21 -5.427 -2.462 3.063 1.00 0.00 H new ATOM 0 HE2 MET A 21 -5.100 -1.020 2.074 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.659 -2.633 1.467 1.00 0.00 H new ATOM 317 N THR A 22 -4.231 3.141 6.582 1.00 0.00 N ATOM 318 CA THR A 22 -5.049 3.859 7.585 1.00 0.00 C ATOM 319 C THR A 22 -5.427 5.263 7.064 1.00 0.00 C ATOM 320 O THR A 22 -6.575 5.697 7.220 1.00 0.00 O ATOM 321 CB THR A 22 -4.324 3.963 8.964 1.00 0.00 C ATOM 322 OG1 THR A 22 -3.998 2.645 9.425 1.00 0.00 O ATOM 323 CG2 THR A 22 -5.186 4.670 10.035 1.00 0.00 C ATOM 0 H THR A 22 -3.257 3.008 6.855 1.00 0.00 H new ATOM 0 HA THR A 22 -5.960 3.281 7.740 1.00 0.00 H new ATOM 0 HB THR A 22 -3.425 4.561 8.816 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.270 2.279 8.880 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.635 4.715 10.974 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.421 5.681 9.703 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.111 4.113 10.184 1.00 0.00 H new ATOM 331 N GLU A 23 -4.465 5.951 6.409 1.00 0.00 N ATOM 332 CA GLU A 23 -4.699 7.279 5.799 1.00 0.00 C ATOM 333 C GLU A 23 -5.693 7.184 4.631 1.00 0.00 C ATOM 334 O GLU A 23 -6.536 8.063 4.456 1.00 0.00 O ATOM 335 CB GLU A 23 -3.361 7.913 5.328 1.00 0.00 C ATOM 336 CG GLU A 23 -2.319 8.141 6.444 1.00 0.00 C ATOM 337 CD GLU A 23 -2.853 8.985 7.613 1.00 0.00 C ATOM 338 OE1 GLU A 23 -2.829 10.231 7.520 1.00 0.00 O ATOM 339 OE2 GLU A 23 -3.305 8.409 8.628 1.00 0.00 O ATOM 0 H GLU A 23 -3.513 5.605 6.289 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.135 7.924 6.561 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.920 7.270 4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.577 8.870 4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.987 7.175 6.825 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.444 8.634 6.019 1.00 0.00 H new ATOM 346 N LEU A 24 -5.592 6.088 3.862 1.00 0.00 N ATOM 347 CA LEU A 24 -6.464 5.809 2.700 1.00 0.00 C ATOM 348 C LEU A 24 -7.807 5.194 3.142 1.00 0.00 C ATOM 349 O LEU A 24 -8.735 5.119 2.332 1.00 0.00 O ATOM 350 CB LEU A 24 -5.728 4.855 1.713 1.00 0.00 C ATOM 351 CG LEU A 24 -4.449 5.440 1.026 1.00 0.00 C ATOM 352 CD1 LEU A 24 -3.738 4.384 0.163 1.00 0.00 C ATOM 353 CD2 LEU A 24 -4.792 6.690 0.187 1.00 0.00 C ATOM 0 H LEU A 24 -4.897 5.360 4.028 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.683 6.751 2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.446 3.951 2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.430 4.555 0.935 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.762 5.738 1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.855 4.826 -0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.438 3.544 0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.416 4.033 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.885 7.076 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.512 6.423 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.221 7.455 0.833 1.00 0.00 H new ATOM 365 N ASP A 25 -7.880 4.760 4.428 1.00 0.00 N ATOM 366 CA ASP A 25 -9.081 4.160 5.059 1.00 0.00 C ATOM 367 C ASP A 25 -9.454 2.827 4.361 1.00 0.00 C ATOM 368 O ASP A 25 -10.583 2.606 3.921 1.00 0.00 O ATOM 369 CB ASP A 25 -10.261 5.182 5.108 1.00 0.00 C ATOM 370 CG ASP A 25 -11.424 4.727 6.010 1.00 0.00 C ATOM 371 OD1 ASP A 25 -11.239 4.703 7.251 1.00 0.00 O ATOM 372 OD2 ASP A 25 -12.515 4.401 5.493 1.00 0.00 O ATOM 0 H ASP A 25 -7.087 4.820 5.067 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.852 3.916 6.096 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.887 6.141 5.465 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.636 5.343 4.097 1.00 0.00 H new ATOM 377 N CYS A 26 -8.442 1.965 4.243 1.00 0.00 N ATOM 378 CA CYS A 26 -8.517 0.653 3.593 1.00 0.00 C ATOM 379 C CYS A 26 -8.068 -0.462 4.571 1.00 0.00 C ATOM 380 O CYS A 26 -7.461 -1.456 4.166 1.00 0.00 O ATOM 381 CB CYS A 26 -7.616 0.682 2.337 1.00 0.00 C ATOM 382 SG CYS A 26 -8.016 1.993 1.166 1.00 0.00 S ATOM 0 H CYS A 26 -7.513 2.168 4.611 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.545 0.437 3.301 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.578 0.796 2.651 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -7.691 -0.279 1.828 1.00 0.00 H new ATOM 0 HG CYS A 26 -7.083 2.069 0.264 1.00 0.00 H new ATOM 388 N THR A 27 -8.393 -0.303 5.863 1.00 0.00 N ATOM 389 CA THR A 27 -7.966 -1.255 6.920 1.00 0.00 C ATOM 390 C THR A 27 -9.149 -2.067 7.495 1.00 0.00 C ATOM 391 O THR A 27 -8.935 -2.986 8.294 1.00 0.00 O ATOM 392 CB THR A 27 -7.247 -0.484 8.083 1.00 0.00 C ATOM 393 OG1 THR A 27 -8.096 0.579 8.552 1.00 0.00 O ATOM 394 CG2 THR A 27 -5.890 0.090 7.644 1.00 0.00 C ATOM 0 H THR A 27 -8.952 0.476 6.210 1.00 0.00 H new ATOM 0 HA THR A 27 -7.276 -1.959 6.455 1.00 0.00 H new ATOM 0 HB THR A 27 -7.057 -1.196 8.886 1.00 0.00 H new ATOM 0 HG1 THR A 27 -8.982 0.220 8.766 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.429 0.615 8.481 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.238 -0.722 7.322 1.00 0.00 H new ATOM 0 HG23 THR A 27 -6.039 0.785 6.818 1.00 0.00 H new ATOM 402 N ASP A 28 -10.389 -1.739 7.093 1.00 0.00 N ATOM 403 CA ASP A 28 -11.614 -2.250 7.761 1.00 0.00 C ATOM 404 C ASP A 28 -12.464 -3.143 6.835 1.00 0.00 C ATOM 405 O ASP A 28 -12.575 -4.349 7.068 1.00 0.00 O ATOM 406 CB ASP A 28 -12.471 -1.067 8.300 1.00 0.00 C ATOM 407 CG ASP A 28 -11.760 -0.275 9.411 1.00 0.00 C ATOM 408 OD1 ASP A 28 -11.029 0.695 9.097 1.00 0.00 O ATOM 409 OD2 ASP A 28 -11.910 -0.632 10.602 1.00 0.00 O ATOM 0 H ASP A 28 -10.577 -1.119 6.305 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.286 -2.871 8.594 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.712 -0.394 7.477 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.416 -1.453 8.683 1.00 0.00 H new ATOM 414 N GLY A 29 -13.064 -2.543 5.793 1.00 0.00 N ATOM 415 CA GLY A 29 -14.108 -3.197 4.987 1.00 0.00 C ATOM 416 C GLY A 29 -13.571 -4.084 3.873 1.00 0.00 C ATOM 417 O GLY A 29 -13.792 -3.788 2.693 1.00 0.00 O ATOM 0 H GLY A 29 -12.840 -1.596 5.487 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -14.736 -3.798 5.645 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.747 -2.430 4.550 1.00 0.00 H new ATOM 421 N HIS A 30 -12.863 -5.168 4.259 1.00 0.00 N ATOM 422 CA HIS A 30 -12.330 -6.198 3.336 1.00 0.00 C ATOM 423 C HIS A 30 -11.422 -5.573 2.249 1.00 0.00 C ATOM 424 O HIS A 30 -11.834 -5.432 1.088 1.00 0.00 O ATOM 425 CB HIS A 30 -13.479 -7.038 2.682 1.00 0.00 C ATOM 426 CG HIS A 30 -14.394 -7.732 3.657 1.00 0.00 C ATOM 427 ND1 HIS A 30 -14.352 -9.084 3.903 1.00 0.00 N ATOM 428 CD2 HIS A 30 -15.401 -7.251 4.426 1.00 0.00 C ATOM 429 CE1 HIS A 30 -15.283 -9.402 4.776 1.00 0.00 C ATOM 430 NE2 HIS A 30 -15.935 -8.309 5.112 1.00 0.00 N ATOM 0 H HIS A 30 -12.641 -5.356 5.237 1.00 0.00 H new ATOM 0 HA HIS A 30 -11.720 -6.875 3.934 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -14.077 -6.380 2.052 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -13.034 -7.788 2.028 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -13.699 -9.740 3.474 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -15.723 -6.222 4.487 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -15.480 -10.394 5.154 1.00 0.00 H new ATOM 439 N TYR A 31 -10.208 -5.139 2.644 1.00 0.00 N ATOM 440 CA TYR A 31 -9.209 -4.571 1.710 1.00 0.00 C ATOM 441 C TYR A 31 -7.856 -5.257 1.913 1.00 0.00 C ATOM 442 O TYR A 31 -7.488 -5.602 3.041 1.00 0.00 O ATOM 443 CB TYR A 31 -9.047 -3.046 1.898 1.00 0.00 C ATOM 444 CG TYR A 31 -10.338 -2.247 1.698 1.00 0.00 C ATOM 445 CD1 TYR A 31 -10.852 -2.023 0.420 1.00 0.00 C ATOM 446 CD2 TYR A 31 -11.044 -1.722 2.785 1.00 0.00 C ATOM 447 CE1 TYR A 31 -12.016 -1.314 0.237 1.00 0.00 C ATOM 448 CE2 TYR A 31 -12.208 -1.010 2.606 1.00 0.00 C ATOM 449 CZ TYR A 31 -12.690 -0.807 1.332 1.00 0.00 C ATOM 450 OH TYR A 31 -13.861 -0.103 1.147 1.00 0.00 O ATOM 0 H TYR A 31 -9.892 -5.171 3.613 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.569 -4.749 0.697 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.666 -2.854 2.901 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.296 -2.683 1.196 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.327 -2.413 -0.439 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.668 -1.878 3.785 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.402 -1.154 -0.759 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.740 -0.613 3.458 1.00 0.00 H new ATOM 0 HH TYR A 31 -14.211 0.184 2.016 1.00 0.00 H new ATOM 460 N ALA A 32 -7.135 -5.439 0.805 1.00 0.00 N ATOM 461 CA ALA A 32 -5.802 -6.040 0.781 1.00 0.00 C ATOM 462 C ALA A 32 -4.881 -5.179 -0.079 1.00 0.00 C ATOM 463 O ALA A 32 -5.327 -4.583 -1.061 1.00 0.00 O ATOM 464 CB ALA A 32 -5.867 -7.473 0.229 1.00 0.00 C ATOM 0 H ALA A 32 -7.469 -5.167 -0.119 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.409 -6.088 1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.866 -7.905 0.218 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.516 -8.078 0.862 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.265 -7.454 -0.786 1.00 0.00 H new ATOM 470 N VAL A 33 -3.603 -5.151 0.290 1.00 0.00 N ATOM 471 CA VAL A 33 -2.564 -4.423 -0.446 1.00 0.00 C ATOM 472 C VAL A 33 -1.679 -5.435 -1.185 1.00 0.00 C ATOM 473 O VAL A 33 -1.302 -6.467 -0.626 1.00 0.00 O ATOM 474 CB VAL A 33 -1.685 -3.529 0.513 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.080 -4.364 1.670 1.00 0.00 C ATOM 476 CG2 VAL A 33 -0.577 -2.771 -0.269 1.00 0.00 C ATOM 0 H VAL A 33 -3.253 -5.637 1.116 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.047 -3.754 -1.158 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.346 -2.783 0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.481 -3.717 2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.884 -4.811 2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.449 -5.152 1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.008 -2.166 0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.076 -3.490 -0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.037 -2.124 -1.017 1.00 0.00 H new ATOM 486 N ALA A 34 -1.386 -5.136 -2.447 1.00 0.00 N ATOM 487 CA ALA A 34 -0.459 -5.896 -3.270 1.00 0.00 C ATOM 488 C ALA A 34 0.711 -4.977 -3.621 1.00 0.00 C ATOM 489 O ALA A 34 0.595 -4.139 -4.511 1.00 0.00 O ATOM 490 CB ALA A 34 -1.172 -6.416 -4.533 1.00 0.00 C ATOM 0 H ALA A 34 -1.797 -4.340 -2.934 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.087 -6.769 -2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.467 -6.983 -5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.002 -7.060 -4.243 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.552 -5.573 -5.110 1.00 0.00 H new ATOM 496 N LEU A 35 1.833 -5.144 -2.907 1.00 0.00 N ATOM 497 CA LEU A 35 3.021 -4.310 -3.094 1.00 0.00 C ATOM 498 C LEU A 35 3.889 -4.952 -4.176 1.00 0.00 C ATOM 499 O LEU A 35 4.396 -6.072 -3.986 1.00 0.00 O ATOM 500 CB LEU A 35 3.820 -4.172 -1.776 1.00 0.00 C ATOM 501 CG LEU A 35 5.142 -3.346 -1.878 1.00 0.00 C ATOM 502 CD1 LEU A 35 4.858 -1.899 -2.317 1.00 0.00 C ATOM 503 CD2 LEU A 35 5.945 -3.392 -0.560 1.00 0.00 C ATOM 0 H LEU A 35 1.939 -5.859 -2.187 1.00 0.00 H new ATOM 0 HA LEU A 35 2.718 -3.308 -3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.178 -3.707 -1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.062 -5.170 -1.411 1.00 0.00 H new ATOM 0 HG LEU A 35 5.761 -3.809 -2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.796 -1.347 -2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.374 -1.903 -3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.203 -1.420 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.858 -2.806 -0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.342 -2.977 0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.203 -4.425 -0.327 1.00 0.00 H new ATOM 515 N ASN A 36 4.004 -4.242 -5.311 1.00 0.00 N ATOM 516 CA ASN A 36 4.721 -4.696 -6.518 1.00 0.00 C ATOM 517 C ASN A 36 4.140 -6.040 -7.005 1.00 0.00 C ATOM 518 O ASN A 36 4.877 -6.974 -7.357 1.00 0.00 O ATOM 519 CB ASN A 36 6.247 -4.754 -6.231 1.00 0.00 C ATOM 520 CG ASN A 36 6.824 -3.390 -5.824 1.00 0.00 C ATOM 521 OD1 ASN A 36 6.398 -2.351 -6.323 1.00 0.00 O ATOM 522 ND2 ASN A 36 7.749 -3.380 -4.884 1.00 0.00 N ATOM 0 H ASN A 36 3.592 -3.315 -5.419 1.00 0.00 H new ATOM 0 HA ASN A 36 4.579 -3.985 -7.332 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.436 -5.476 -5.437 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.767 -5.114 -7.119 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.130 -2.494 -4.553 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.083 -4.259 -4.488 1.00 0.00 H new ATOM 529 N TYR A 37 2.785 -6.100 -6.977 1.00 0.00 N ATOM 530 CA TYR A 37 1.968 -7.248 -7.432 1.00 0.00 C ATOM 531 C TYR A 37 2.138 -8.489 -6.521 1.00 0.00 C ATOM 532 O TYR A 37 1.847 -9.617 -6.927 1.00 0.00 O ATOM 533 CB TYR A 37 2.245 -7.587 -8.933 1.00 0.00 C ATOM 534 CG TYR A 37 1.892 -6.489 -9.963 1.00 0.00 C ATOM 535 CD1 TYR A 37 1.310 -5.263 -9.595 1.00 0.00 C ATOM 536 CD2 TYR A 37 2.125 -6.702 -11.327 1.00 0.00 C ATOM 537 CE1 TYR A 37 0.987 -4.311 -10.533 1.00 0.00 C ATOM 538 CE2 TYR A 37 1.805 -5.745 -12.270 1.00 0.00 C ATOM 539 CZ TYR A 37 1.233 -4.553 -11.870 1.00 0.00 C ATOM 540 OH TYR A 37 0.913 -3.588 -12.806 1.00 0.00 O ATOM 0 H TYR A 37 2.217 -5.328 -6.627 1.00 0.00 H new ATOM 0 HA TYR A 37 0.924 -6.946 -7.352 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.303 -7.827 -9.039 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.686 -8.487 -9.189 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.112 -5.065 -8.552 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.564 -7.635 -11.649 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.542 -3.376 -10.225 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.001 -5.928 -13.316 1.00 0.00 H new ATOM 0 HH TYR A 37 1.454 -2.786 -12.647 1.00 0.00 H new ATOM 550 N ASP A 38 2.594 -8.261 -5.278 1.00 0.00 N ATOM 551 CA ASP A 38 2.705 -9.305 -4.239 1.00 0.00 C ATOM 552 C ASP A 38 1.927 -8.855 -3.000 1.00 0.00 C ATOM 553 O ASP A 38 2.279 -7.846 -2.377 1.00 0.00 O ATOM 554 CB ASP A 38 4.191 -9.566 -3.874 1.00 0.00 C ATOM 555 CG ASP A 38 4.360 -10.580 -2.723 1.00 0.00 C ATOM 556 OD1 ASP A 38 4.103 -11.781 -2.945 1.00 0.00 O ATOM 557 OD2 ASP A 38 4.742 -10.184 -1.596 1.00 0.00 O ATOM 0 H ASP A 38 2.899 -7.341 -4.961 1.00 0.00 H new ATOM 0 HA ASP A 38 2.287 -10.236 -4.621 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.717 -9.934 -4.755 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.661 -8.624 -3.593 1.00 0.00 H new ATOM 562 N VAL A 39 0.863 -9.595 -2.663 1.00 0.00 N ATOM 563 CA VAL A 39 -0.011 -9.289 -1.520 1.00 0.00 C ATOM 564 C VAL A 39 0.763 -9.390 -0.182 1.00 0.00 C ATOM 565 O VAL A 39 1.435 -10.391 0.084 1.00 0.00 O ATOM 566 CB VAL A 39 -1.283 -10.217 -1.500 1.00 0.00 C ATOM 567 CG1 VAL A 39 -2.221 -9.887 -0.308 1.00 0.00 C ATOM 568 CG2 VAL A 39 -2.056 -10.127 -2.845 1.00 0.00 C ATOM 0 H VAL A 39 0.581 -10.429 -3.178 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.352 -8.261 -1.639 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.933 -11.241 -1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.086 -10.550 -0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.682 -10.027 0.629 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.555 -8.852 -0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.930 -10.777 -2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.375 -9.098 -3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.405 -10.442 -3.660 1.00 0.00 H new ATOM 578 N VAL A 40 0.668 -8.319 0.621 1.00 0.00 N ATOM 579 CA VAL A 40 1.334 -8.198 1.929 1.00 0.00 C ATOM 580 C VAL A 40 0.349 -8.602 3.053 1.00 0.00 C ATOM 581 O VAL A 40 -0.752 -8.063 3.101 1.00 0.00 O ATOM 582 CB VAL A 40 1.830 -6.718 2.162 1.00 0.00 C ATOM 583 CG1 VAL A 40 2.502 -6.545 3.549 1.00 0.00 C ATOM 584 CG2 VAL A 40 2.781 -6.262 1.026 1.00 0.00 C ATOM 0 H VAL A 40 0.116 -7.497 0.376 1.00 0.00 H new ATOM 0 HA VAL A 40 2.198 -8.862 1.945 1.00 0.00 H new ATOM 0 HB VAL A 40 0.948 -6.078 2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.829 -5.512 3.669 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.787 -6.792 4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.364 -7.209 3.621 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.107 -5.239 1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.650 -6.919 0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.256 -6.307 0.072 1.00 0.00 H new ATOM 594 N PRO A 41 0.722 -9.559 3.963 1.00 0.00 N ATOM 595 CA PRO A 41 -0.150 -9.966 5.093 1.00 0.00 C ATOM 596 C PRO A 41 -0.314 -8.845 6.147 1.00 0.00 C ATOM 597 O PRO A 41 0.628 -8.083 6.400 1.00 0.00 O ATOM 598 CB PRO A 41 0.577 -11.203 5.679 1.00 0.00 C ATOM 599 CG PRO A 41 2.018 -11.020 5.293 1.00 0.00 C ATOM 600 CD PRO A 41 2.002 -10.321 3.950 1.00 0.00 C ATOM 0 HA PRO A 41 -1.170 -10.181 4.773 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.461 -11.254 6.762 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.173 -12.129 5.271 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.549 -10.426 6.036 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.530 -11.980 5.228 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.860 -9.660 3.833 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.035 -11.035 3.127 1.00 0.00 H new ATOM 608 N ARG A 42 -1.520 -8.801 6.754 1.00 0.00 N ATOM 609 CA ARG A 42 -1.964 -7.778 7.739 1.00 0.00 C ATOM 610 C ARG A 42 -0.930 -7.518 8.860 1.00 0.00 C ATOM 611 O ARG A 42 -0.575 -6.367 9.121 1.00 0.00 O ATOM 612 CB ARG A 42 -3.330 -8.210 8.355 1.00 0.00 C ATOM 613 CG ARG A 42 -3.906 -7.270 9.442 1.00 0.00 C ATOM 614 CD ARG A 42 -4.238 -5.863 8.922 1.00 0.00 C ATOM 615 NE ARG A 42 -5.368 -5.865 7.980 1.00 0.00 N ATOM 616 CZ ARG A 42 -6.509 -5.172 8.142 1.00 0.00 C ATOM 617 NH1 ARG A 42 -6.701 -4.407 9.212 1.00 0.00 N ATOM 618 NH2 ARG A 42 -7.437 -5.227 7.207 1.00 0.00 N ATOM 0 H ARG A 42 -2.240 -9.499 6.568 1.00 0.00 H new ATOM 0 HA ARG A 42 -2.071 -6.837 7.199 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.060 -8.294 7.550 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.215 -9.205 8.786 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.809 -7.718 9.857 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.187 -7.187 10.257 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.473 -5.213 9.765 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.360 -5.444 8.431 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.279 -6.436 7.139 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.976 -4.339 9.927 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.573 -3.888 9.318 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.286 -5.791 6.371 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.306 -4.705 7.320 1.00 0.00 H new ATOM 632 N GLY A 43 -0.429 -8.606 9.461 1.00 0.00 N ATOM 633 CA GLY A 43 0.517 -8.540 10.583 1.00 0.00 C ATOM 634 C GLY A 43 1.879 -7.930 10.233 1.00 0.00 C ATOM 635 O GLY A 43 2.626 -7.551 11.136 1.00 0.00 O ATOM 0 H GLY A 43 -0.669 -9.558 9.182 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.068 -7.956 11.386 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.673 -9.547 10.970 1.00 0.00 H new ATOM 639 N LYS A 44 2.193 -7.824 8.921 1.00 0.00 N ATOM 640 CA LYS A 44 3.483 -7.291 8.427 1.00 0.00 C ATOM 641 C LYS A 44 3.341 -5.884 7.822 1.00 0.00 C ATOM 642 O LYS A 44 4.367 -5.264 7.563 1.00 0.00 O ATOM 643 CB LYS A 44 4.117 -8.245 7.376 1.00 0.00 C ATOM 644 CG LYS A 44 4.644 -9.577 7.940 1.00 0.00 C ATOM 645 CD LYS A 44 5.372 -10.410 6.857 1.00 0.00 C ATOM 646 CE LYS A 44 5.955 -11.734 7.388 1.00 0.00 C ATOM 647 NZ LYS A 44 4.900 -12.685 7.832 1.00 0.00 N ATOM 0 H LYS A 44 1.558 -8.106 8.175 1.00 0.00 H new ATOM 0 HA LYS A 44 4.139 -7.221 9.295 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.374 -8.461 6.609 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.940 -7.725 6.885 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.327 -9.378 8.766 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.813 -10.154 8.346 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.675 -10.628 6.048 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.178 -9.812 6.431 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.556 -12.201 6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.624 -11.524 8.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.344 -13.559 8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.342 -12.253 8.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.276 -12.909 7.031 1.00 0.00 H new ATOM 661 N TRP A 45 2.091 -5.383 7.611 1.00 0.00 N ATOM 662 CA TRP A 45 1.826 -4.043 6.986 1.00 0.00 C ATOM 663 C TRP A 45 2.706 -2.917 7.595 1.00 0.00 C ATOM 664 O TRP A 45 3.225 -2.059 6.873 1.00 0.00 O ATOM 665 CB TRP A 45 0.320 -3.646 7.125 1.00 0.00 C ATOM 666 CG TRP A 45 -0.659 -4.338 6.199 1.00 0.00 C ATOM 667 CD1 TRP A 45 -0.413 -5.353 5.326 1.00 0.00 C ATOM 668 CD2 TRP A 45 -2.054 -4.021 6.052 1.00 0.00 C ATOM 669 NE1 TRP A 45 -1.562 -5.695 4.662 1.00 0.00 N ATOM 670 CE2 TRP A 45 -2.580 -4.891 5.083 1.00 0.00 C ATOM 671 CE3 TRP A 45 -2.907 -3.086 6.651 1.00 0.00 C ATOM 672 CZ2 TRP A 45 -3.916 -4.862 4.694 1.00 0.00 C ATOM 673 CZ3 TRP A 45 -4.236 -3.054 6.261 1.00 0.00 C ATOM 674 CH2 TRP A 45 -4.729 -3.939 5.290 1.00 0.00 C ATOM 0 H TRP A 45 1.242 -5.887 7.865 1.00 0.00 H new ATOM 0 HA TRP A 45 2.085 -4.145 5.932 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.011 -3.841 8.152 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.236 -2.571 6.965 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.549 -5.821 5.178 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.643 -6.434 3.964 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -2.536 -2.404 7.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.297 -5.544 3.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -4.904 -2.335 6.712 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -5.770 -3.890 5.008 1.00 0.00 H new ATOM 685 N ASP A 46 2.872 -2.966 8.927 1.00 0.00 N ATOM 686 CA ASP A 46 3.661 -1.979 9.699 1.00 0.00 C ATOM 687 C ASP A 46 5.164 -2.133 9.401 1.00 0.00 C ATOM 688 O ASP A 46 5.878 -1.142 9.219 1.00 0.00 O ATOM 689 CB ASP A 46 3.374 -2.127 11.222 1.00 0.00 C ATOM 690 CG ASP A 46 3.853 -3.461 11.823 1.00 0.00 C ATOM 691 OD1 ASP A 46 3.340 -4.529 11.413 1.00 0.00 O ATOM 692 OD2 ASP A 46 4.760 -3.451 12.689 1.00 0.00 O ATOM 0 H ASP A 46 2.460 -3.697 9.508 1.00 0.00 H new ATOM 0 HA ASP A 46 3.360 -0.977 9.393 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.857 -1.307 11.754 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.302 -2.029 11.390 1.00 0.00 H new ATOM 697 N GLU A 47 5.609 -3.404 9.311 1.00 0.00 N ATOM 698 CA GLU A 47 7.009 -3.785 9.029 1.00 0.00 C ATOM 699 C GLU A 47 7.350 -3.611 7.535 1.00 0.00 C ATOM 700 O GLU A 47 8.520 -3.683 7.147 1.00 0.00 O ATOM 701 CB GLU A 47 7.241 -5.261 9.456 1.00 0.00 C ATOM 702 CG GLU A 47 6.962 -5.553 10.941 1.00 0.00 C ATOM 703 CD GLU A 47 7.202 -7.027 11.300 1.00 0.00 C ATOM 704 OE1 GLU A 47 6.269 -7.847 11.171 1.00 0.00 O ATOM 705 OE2 GLU A 47 8.339 -7.381 11.688 1.00 0.00 O ATOM 0 H GLU A 47 4.994 -4.209 9.435 1.00 0.00 H new ATOM 0 HA GLU A 47 7.664 -3.127 9.600 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.606 -5.905 8.848 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.274 -5.531 9.235 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.601 -4.922 11.559 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.931 -5.288 11.174 1.00 0.00 H new ATOM 712 N THR A 48 6.318 -3.399 6.704 1.00 0.00 N ATOM 713 CA THR A 48 6.467 -3.227 5.256 1.00 0.00 C ATOM 714 C THR A 48 6.595 -1.726 4.925 1.00 0.00 C ATOM 715 O THR A 48 5.674 -0.953 5.239 1.00 0.00 O ATOM 716 CB THR A 48 5.250 -3.856 4.509 1.00 0.00 C ATOM 717 OG1 THR A 48 5.104 -5.219 4.922 1.00 0.00 O ATOM 718 CG2 THR A 48 5.415 -3.809 2.982 1.00 0.00 C ATOM 0 H THR A 48 5.351 -3.342 7.023 1.00 0.00 H new ATOM 0 HA THR A 48 7.370 -3.739 4.923 1.00 0.00 H new ATOM 0 HB THR A 48 4.366 -3.272 4.764 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.811 -5.248 5.857 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.543 -4.259 2.508 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.510 -2.773 2.658 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.309 -4.363 2.695 1.00 0.00 H new ATOM 726 N PRO A 49 7.746 -1.274 4.333 1.00 0.00 N ATOM 727 CA PRO A 49 7.939 0.139 3.971 1.00 0.00 C ATOM 728 C PRO A 49 7.287 0.511 2.623 1.00 0.00 C ATOM 729 O PRO A 49 7.035 -0.355 1.768 1.00 0.00 O ATOM 730 CB PRO A 49 9.478 0.269 3.900 1.00 0.00 C ATOM 731 CG PRO A 49 9.950 -1.082 3.426 1.00 0.00 C ATOM 732 CD PRO A 49 8.954 -2.096 3.991 1.00 0.00 C ATOM 0 HA PRO A 49 7.470 0.814 4.687 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.778 1.058 3.211 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.901 0.518 4.873 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.977 -1.126 2.337 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.960 -1.289 3.779 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.716 -2.869 3.261 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.355 -2.600 4.870 1.00 0.00 H new ATOM 740 N VAL A 50 7.003 1.807 2.476 1.00 0.00 N ATOM 741 CA VAL A 50 6.578 2.433 1.218 1.00 0.00 C ATOM 742 C VAL A 50 7.825 3.061 0.556 1.00 0.00 C ATOM 743 O VAL A 50 8.668 3.651 1.251 1.00 0.00 O ATOM 744 CB VAL A 50 5.464 3.522 1.492 1.00 0.00 C ATOM 745 CG1 VAL A 50 5.070 4.290 0.208 1.00 0.00 C ATOM 746 CG2 VAL A 50 4.210 2.878 2.149 1.00 0.00 C ATOM 0 H VAL A 50 7.063 2.470 3.249 1.00 0.00 H new ATOM 0 HA VAL A 50 6.142 1.690 0.550 1.00 0.00 H new ATOM 0 HB VAL A 50 5.890 4.246 2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.303 5.027 0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.946 4.797 -0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.683 3.589 -0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.458 3.646 2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.801 2.118 1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.491 2.418 3.096 1.00 0.00 H new ATOM 756 N THR A 51 7.945 2.915 -0.770 1.00 0.00 N ATOM 757 CA THR A 51 9.117 3.356 -1.551 1.00 0.00 C ATOM 758 C THR A 51 8.648 4.186 -2.751 1.00 0.00 C ATOM 759 O THR A 51 7.658 3.833 -3.377 1.00 0.00 O ATOM 760 CB THR A 51 9.942 2.113 -2.037 1.00 0.00 C ATOM 761 OG1 THR A 51 10.323 1.321 -0.892 1.00 0.00 O ATOM 762 CG2 THR A 51 11.208 2.507 -2.837 1.00 0.00 C ATOM 0 H THR A 51 7.221 2.481 -1.343 1.00 0.00 H new ATOM 0 HA THR A 51 9.760 3.971 -0.921 1.00 0.00 H new ATOM 0 HB THR A 51 9.304 1.541 -2.711 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.837 0.542 -1.190 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.738 1.606 -3.147 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.918 3.079 -3.719 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.861 3.114 -2.210 1.00 0.00 H new ATOM 770 N ALA A 52 9.354 5.282 -3.073 1.00 0.00 N ATOM 771 CA ALA A 52 8.965 6.180 -4.178 1.00 0.00 C ATOM 772 C ALA A 52 8.926 5.428 -5.529 1.00 0.00 C ATOM 773 O ALA A 52 9.963 4.956 -6.016 1.00 0.00 O ATOM 774 CB ALA A 52 9.915 7.378 -4.253 1.00 0.00 C ATOM 0 H ALA A 52 10.201 5.570 -2.583 1.00 0.00 H new ATOM 0 HA ALA A 52 7.959 6.546 -3.974 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.614 8.030 -5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.876 7.932 -3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.932 7.026 -4.424 1.00 0.00 H new ATOM 780 N GLY A 53 7.716 5.320 -6.101 1.00 0.00 N ATOM 781 CA GLY A 53 7.490 4.667 -7.388 1.00 0.00 C ATOM 782 C GLY A 53 7.200 3.172 -7.290 1.00 0.00 C ATOM 783 O GLY A 53 7.365 2.456 -8.284 1.00 0.00 O ATOM 0 H GLY A 53 6.865 5.688 -5.676 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.654 5.156 -7.888 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.368 4.815 -8.017 1.00 0.00 H new ATOM 787 N ASP A 54 6.762 2.688 -6.110 1.00 0.00 N ATOM 788 CA ASP A 54 6.331 1.278 -5.936 1.00 0.00 C ATOM 789 C ASP A 54 4.857 1.117 -6.350 1.00 0.00 C ATOM 790 O ASP A 54 4.142 2.112 -6.491 1.00 0.00 O ATOM 791 CB ASP A 54 6.567 0.798 -4.469 1.00 0.00 C ATOM 792 CG ASP A 54 5.789 1.536 -3.355 1.00 0.00 C ATOM 793 OD1 ASP A 54 5.053 2.494 -3.632 1.00 0.00 O ATOM 794 OD2 ASP A 54 5.952 1.156 -2.176 1.00 0.00 O ATOM 0 H ASP A 54 6.696 3.250 -5.261 1.00 0.00 H new ATOM 0 HA ASP A 54 6.937 0.647 -6.586 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.314 -0.261 -4.414 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.632 0.883 -4.252 1.00 0.00 H new ATOM 799 N GLU A 55 4.401 -0.129 -6.533 1.00 0.00 N ATOM 800 CA GLU A 55 3.025 -0.421 -6.991 1.00 0.00 C ATOM 801 C GLU A 55 2.178 -0.945 -5.820 1.00 0.00 C ATOM 802 O GLU A 55 2.070 -2.149 -5.614 1.00 0.00 O ATOM 803 CB GLU A 55 3.044 -1.427 -8.174 1.00 0.00 C ATOM 804 CG GLU A 55 3.838 -0.938 -9.398 1.00 0.00 C ATOM 805 CD GLU A 55 3.774 -1.913 -10.585 1.00 0.00 C ATOM 806 OE1 GLU A 55 4.560 -2.887 -10.619 1.00 0.00 O ATOM 807 OE2 GLU A 55 2.928 -1.714 -11.482 1.00 0.00 O ATOM 0 H GLU A 55 4.967 -0.962 -6.371 1.00 0.00 H new ATOM 0 HA GLU A 55 2.569 0.501 -7.352 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.471 -2.369 -7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.018 -1.634 -8.478 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.452 0.032 -9.711 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.879 -0.790 -9.113 1.00 0.00 H new ATOM 814 N ILE A 56 1.599 -0.015 -5.045 1.00 0.00 N ATOM 815 CA ILE A 56 0.721 -0.334 -3.901 1.00 0.00 C ATOM 816 C ILE A 56 -0.720 -0.472 -4.421 1.00 0.00 C ATOM 817 O ILE A 56 -1.431 0.518 -4.612 1.00 0.00 O ATOM 818 CB ILE A 56 0.833 0.793 -2.803 1.00 0.00 C ATOM 819 CG1 ILE A 56 2.309 0.888 -2.304 1.00 0.00 C ATOM 820 CG2 ILE A 56 -0.147 0.580 -1.617 1.00 0.00 C ATOM 821 CD1 ILE A 56 2.595 2.021 -1.341 1.00 0.00 C ATOM 0 H ILE A 56 1.726 0.986 -5.193 1.00 0.00 H new ATOM 0 HA ILE A 56 1.024 -1.272 -3.436 1.00 0.00 H new ATOM 0 HB ILE A 56 0.542 1.736 -3.265 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.573 -0.053 -1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.962 0.996 -3.170 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.024 1.386 -0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.172 0.578 -1.988 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.066 -0.375 -1.136 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.647 1.999 -1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.370 2.973 -1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.975 1.908 -0.452 1.00 0.00 H new ATOM 833 N GLU A 57 -1.139 -1.715 -4.664 1.00 0.00 N ATOM 834 CA GLU A 57 -2.431 -2.020 -5.292 1.00 0.00 C ATOM 835 C GLU A 57 -3.423 -2.512 -4.235 1.00 0.00 C ATOM 836 O GLU A 57 -3.365 -3.665 -3.798 1.00 0.00 O ATOM 837 CB GLU A 57 -2.233 -3.067 -6.409 1.00 0.00 C ATOM 838 CG GLU A 57 -3.515 -3.438 -7.170 1.00 0.00 C ATOM 839 CD GLU A 57 -3.264 -4.491 -8.255 1.00 0.00 C ATOM 840 OE1 GLU A 57 -2.774 -4.129 -9.341 1.00 0.00 O ATOM 841 OE2 GLU A 57 -3.557 -5.685 -8.032 1.00 0.00 O ATOM 0 H GLU A 57 -0.592 -2.543 -4.431 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.842 -1.116 -5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.501 -2.686 -7.121 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.811 -3.972 -5.971 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.257 -3.815 -6.466 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.936 -2.542 -7.627 1.00 0.00 H new ATOM 848 N ILE A 58 -4.333 -1.630 -3.829 1.00 0.00 N ATOM 849 CA ILE A 58 -5.316 -1.914 -2.788 1.00 0.00 C ATOM 850 C ILE A 58 -6.644 -2.314 -3.448 1.00 0.00 C ATOM 851 O ILE A 58 -7.351 -1.473 -4.013 1.00 0.00 O ATOM 852 CB ILE A 58 -5.508 -0.682 -1.838 1.00 0.00 C ATOM 853 CG1 ILE A 58 -4.135 -0.305 -1.180 1.00 0.00 C ATOM 854 CG2 ILE A 58 -6.592 -0.964 -0.764 1.00 0.00 C ATOM 855 CD1 ILE A 58 -4.173 0.898 -0.253 1.00 0.00 C ATOM 0 H ILE A 58 -4.409 -0.690 -4.217 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.957 -2.739 -2.173 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.857 0.166 -2.427 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.771 -1.165 -0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.411 -0.111 -1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.702 -0.091 -0.120 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.543 -1.176 -1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.294 -1.823 -0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.177 1.077 0.151 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.502 1.776 -0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.867 0.705 0.565 1.00 0.00 H new ATOM 867 N LEU A 59 -6.942 -3.615 -3.388 1.00 0.00 N ATOM 868 CA LEU A 59 -8.166 -4.218 -3.945 1.00 0.00 C ATOM 869 C LEU A 59 -9.034 -4.815 -2.820 1.00 0.00 C ATOM 870 O LEU A 59 -8.658 -4.766 -1.644 1.00 0.00 O ATOM 871 CB LEU A 59 -7.798 -5.281 -5.044 1.00 0.00 C ATOM 872 CG LEU A 59 -6.529 -6.185 -4.799 1.00 0.00 C ATOM 873 CD1 LEU A 59 -6.642 -7.060 -3.531 1.00 0.00 C ATOM 874 CD2 LEU A 59 -6.232 -7.059 -6.034 1.00 0.00 C ATOM 0 H LEU A 59 -6.329 -4.297 -2.942 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.760 -3.443 -4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.657 -5.939 -5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.655 -4.752 -5.986 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.695 -5.503 -4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.737 -7.658 -3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.764 -6.420 -2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.504 -7.721 -3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.353 -7.674 -5.842 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.087 -7.703 -6.238 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.046 -6.419 -6.896 1.00 0.00 H new ATOM 886 N THR A 60 -10.195 -5.360 -3.192 1.00 0.00 N ATOM 887 CA THR A 60 -11.106 -6.042 -2.254 1.00 0.00 C ATOM 888 C THR A 60 -10.983 -7.577 -2.436 1.00 0.00 C ATOM 889 O THR A 60 -11.504 -8.119 -3.422 1.00 0.00 O ATOM 890 CB THR A 60 -12.583 -5.561 -2.467 1.00 0.00 C ATOM 891 OG1 THR A 60 -12.916 -5.608 -3.870 1.00 0.00 O ATOM 892 CG2 THR A 60 -12.813 -4.133 -1.933 1.00 0.00 C ATOM 0 H THR A 60 -10.535 -5.344 -4.153 1.00 0.00 H new ATOM 0 HA THR A 60 -10.824 -5.788 -1.232 1.00 0.00 H new ATOM 0 HB THR A 60 -13.229 -6.235 -1.904 1.00 0.00 H new ATOM 0 HG1 THR A 60 -12.526 -6.412 -4.272 1.00 0.00 H new ATOM 0 HG21 THR A 60 -13.850 -3.844 -2.103 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.599 -4.105 -0.865 1.00 0.00 H new ATOM 0 HG23 THR A 60 -12.153 -3.439 -2.454 1.00 0.00 H new ATOM 900 N PRO A 61 -10.249 -8.299 -1.517 1.00 0.00 N ATOM 901 CA PRO A 61 -10.017 -9.756 -1.647 1.00 0.00 C ATOM 902 C PRO A 61 -11.332 -10.548 -1.476 1.00 0.00 C ATOM 903 O PRO A 61 -12.107 -10.284 -0.550 1.00 0.00 O ATOM 904 CB PRO A 61 -8.996 -10.067 -0.515 1.00 0.00 C ATOM 905 CG PRO A 61 -9.247 -9.000 0.516 1.00 0.00 C ATOM 906 CD PRO A 61 -9.622 -7.759 -0.275 1.00 0.00 C ATOM 0 HA PRO A 61 -9.644 -10.044 -2.630 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.152 -11.064 -0.102 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.971 -10.031 -0.883 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.048 -9.290 1.196 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.360 -8.825 1.125 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.315 -7.126 0.280 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.747 -7.150 -0.502 1.00 0.00 H new ATOM 914 N ARG A 62 -11.575 -11.501 -2.388 1.00 0.00 N ATOM 915 CA ARG A 62 -12.809 -12.304 -2.402 1.00 0.00 C ATOM 916 C ARG A 62 -12.759 -13.387 -1.313 1.00 0.00 C ATOM 917 O ARG A 62 -13.814 -13.809 -0.817 1.00 0.00 O ATOM 918 CB ARG A 62 -13.045 -12.904 -3.817 1.00 0.00 C ATOM 919 CG ARG A 62 -13.093 -11.848 -4.963 1.00 0.00 C ATOM 920 CD ARG A 62 -14.072 -10.696 -4.661 1.00 0.00 C ATOM 921 NE ARG A 62 -14.152 -9.705 -5.752 1.00 0.00 N ATOM 922 CZ ARG A 62 -14.401 -8.391 -5.581 1.00 0.00 C ATOM 923 NH1 ARG A 62 -14.593 -7.889 -4.365 1.00 0.00 N ATOM 924 NH2 ARG A 62 -14.456 -7.578 -6.629 1.00 0.00 N ATOM 0 H ARG A 62 -10.923 -11.737 -3.136 1.00 0.00 H new ATOM 0 HA ARG A 62 -13.658 -11.660 -2.175 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.252 -13.620 -4.032 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -13.983 -13.459 -3.811 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -12.094 -11.441 -5.120 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.387 -12.337 -5.892 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -15.064 -11.108 -4.479 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -13.762 -10.194 -3.744 1.00 0.00 H new ATOM 0 HE ARG A 62 -14.008 -10.039 -6.705 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -14.553 -8.500 -3.549 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.781 -6.893 -4.248 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.310 -7.947 -7.569 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.645 -6.585 -6.495 1.00 0.00 H new ATOM 938 N GLN A 63 -11.518 -13.847 -0.996 1.00 0.00 N ATOM 939 CA GLN A 63 -11.170 -14.646 0.206 1.00 0.00 C ATOM 940 C GLN A 63 -11.512 -16.130 -0.012 1.00 0.00 C ATOM 941 O GLN A 63 -10.615 -16.986 -0.009 1.00 0.00 O ATOM 942 CB GLN A 63 -11.804 -14.064 1.508 1.00 0.00 C ATOM 943 CG GLN A 63 -11.260 -12.667 1.908 1.00 0.00 C ATOM 944 CD GLN A 63 -11.946 -12.027 3.123 1.00 0.00 C ATOM 945 OE1 GLN A 63 -12.042 -10.805 3.219 1.00 0.00 O ATOM 946 NE2 GLN A 63 -12.408 -12.832 4.071 1.00 0.00 N ATOM 0 H GLN A 63 -10.709 -13.665 -1.590 1.00 0.00 H new ATOM 0 HA GLN A 63 -10.092 -14.579 0.352 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -12.884 -13.997 1.375 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -11.626 -14.760 2.328 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -10.194 -12.755 2.116 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -11.364 -11.996 1.056 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -12.318 -13.843 3.970 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.854 -12.440 4.900 1.00 0.00 H new ATOM 955 N GLY A 64 -12.805 -16.422 -0.216 1.00 0.00 N ATOM 956 CA GLY A 64 -13.242 -17.740 -0.657 1.00 0.00 C ATOM 957 C GLY A 64 -13.106 -17.874 -2.171 1.00 0.00 C ATOM 958 O GLY A 64 -14.113 -17.825 -2.886 1.00 0.00 O ATOM 0 H GLY A 64 -13.564 -15.754 -0.080 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.648 -18.510 -0.164 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.279 -17.902 -0.364 1.00 0.00 H new ATOM 962 N GLY A 65 -11.837 -17.998 -2.644 1.00 0.00 N ATOM 963 CA GLY A 65 -11.498 -18.040 -4.074 1.00 0.00 C ATOM 964 C GLY A 65 -12.246 -19.105 -4.880 1.00 0.00 C ATOM 965 O GLY A 65 -11.807 -20.259 -4.950 1.00 0.00 O ATOM 0 H GLY A 65 -11.024 -18.071 -2.033 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.704 -17.063 -4.511 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.427 -18.215 -4.174 1.00 0.00 H new ATOM 969 N LEU A 66 -13.390 -18.699 -5.466 1.00 0.00 N ATOM 970 CA LEU A 66 -14.198 -19.545 -6.368 1.00 0.00 C ATOM 971 C LEU A 66 -14.925 -18.665 -7.431 1.00 0.00 C ATOM 972 O LEU A 66 -15.663 -19.191 -8.281 1.00 0.00 O ATOM 973 CB LEU A 66 -15.219 -20.371 -5.526 1.00 0.00 C ATOM 974 CG LEU A 66 -16.009 -21.495 -6.284 1.00 0.00 C ATOM 975 CD1 LEU A 66 -15.058 -22.568 -6.850 1.00 0.00 C ATOM 976 CD2 LEU A 66 -17.104 -22.125 -5.390 1.00 0.00 C ATOM 0 H LEU A 66 -13.782 -17.768 -5.326 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.545 -20.236 -6.901 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.683 -20.832 -4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -15.942 -19.679 -5.093 1.00 0.00 H new ATOM 0 HG LEU A 66 -16.512 -21.024 -7.129 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -15.638 -23.331 -7.369 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -14.361 -22.105 -7.548 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -14.501 -23.028 -6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -17.630 -22.899 -5.949 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.643 -22.566 -4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -17.812 -21.355 -5.084 1.00 0.00 H new ATOM 988 N GLU A 67 -14.679 -17.328 -7.395 1.00 0.00 N ATOM 989 CA GLU A 67 -15.303 -16.343 -8.312 1.00 0.00 C ATOM 990 C GLU A 67 -14.960 -16.676 -9.778 1.00 0.00 C ATOM 991 O GLU A 67 -15.823 -16.645 -10.664 1.00 0.00 O ATOM 992 CB GLU A 67 -14.817 -14.911 -7.946 1.00 0.00 C ATOM 993 CG GLU A 67 -15.368 -13.781 -8.842 1.00 0.00 C ATOM 994 CD GLU A 67 -14.714 -12.413 -8.568 1.00 0.00 C ATOM 995 OE1 GLU A 67 -13.596 -12.160 -9.071 1.00 0.00 O ATOM 996 OE2 GLU A 67 -15.305 -11.592 -7.840 1.00 0.00 O ATOM 0 H GLU A 67 -14.038 -16.904 -6.724 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.386 -16.389 -8.202 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -15.096 -14.703 -6.913 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.728 -14.891 -7.992 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.213 -14.047 -9.888 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.444 -13.698 -8.690 1.00 0.00 H new ATOM 1003 N HIS A 68 -13.680 -17.006 -9.999 1.00 0.00 N ATOM 1004 CA HIS A 68 -13.149 -17.466 -11.297 1.00 0.00 C ATOM 1005 C HIS A 68 -12.259 -18.700 -11.075 1.00 0.00 C ATOM 1006 O HIS A 68 -11.977 -19.075 -9.932 1.00 0.00 O ATOM 1007 CB HIS A 68 -12.345 -16.331 -11.997 1.00 0.00 C ATOM 1008 CG HIS A 68 -13.182 -15.143 -12.419 1.00 0.00 C ATOM 1009 ND1 HIS A 68 -14.042 -15.176 -13.493 1.00 0.00 N ATOM 1010 CD2 HIS A 68 -13.279 -13.890 -11.911 1.00 0.00 C ATOM 1011 CE1 HIS A 68 -14.633 -14.002 -13.620 1.00 0.00 C ATOM 1012 NE2 HIS A 68 -14.190 -13.210 -12.670 1.00 0.00 N ATOM 0 H HIS A 68 -12.969 -16.961 -9.269 1.00 0.00 H new ATOM 0 HA HIS A 68 -13.981 -17.735 -11.947 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -11.562 -15.987 -11.322 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -11.850 -16.742 -12.877 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -12.736 -13.501 -11.062 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.357 -13.738 -14.376 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -14.479 -12.243 -12.523 1.00 0.00 H new ATOM 1021 N HIS A 69 -11.834 -19.339 -12.182 1.00 0.00 N ATOM 1022 CA HIS A 69 -10.854 -20.449 -12.149 1.00 0.00 C ATOM 1023 C HIS A 69 -9.425 -19.878 -12.048 1.00 0.00 C ATOM 1024 O HIS A 69 -9.234 -18.654 -12.083 1.00 0.00 O ATOM 1025 CB HIS A 69 -10.989 -21.353 -13.404 1.00 0.00 C ATOM 1026 CG HIS A 69 -12.322 -22.051 -13.549 1.00 0.00 C ATOM 1027 ND1 HIS A 69 -12.539 -23.358 -13.167 1.00 0.00 N ATOM 1028 CD2 HIS A 69 -13.500 -21.626 -14.076 1.00 0.00 C ATOM 1029 CE1 HIS A 69 -13.780 -23.704 -13.454 1.00 0.00 C ATOM 1030 NE2 HIS A 69 -14.385 -22.673 -14.007 1.00 0.00 N ATOM 0 H HIS A 69 -12.156 -19.104 -13.121 1.00 0.00 H new ATOM 0 HA HIS A 69 -11.058 -21.064 -11.273 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.816 -20.744 -14.292 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -10.202 -22.107 -13.376 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -13.703 -20.644 -14.476 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -14.225 -24.670 -13.267 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -15.352 -22.655 -14.331 1.00 0.00 H new ATOM 1039 N HIS A 70 -8.431 -20.773 -11.935 1.00 0.00 N ATOM 1040 CA HIS A 70 -7.014 -20.395 -11.803 1.00 0.00 C ATOM 1041 C HIS A 70 -6.488 -19.851 -13.147 1.00 0.00 C ATOM 1042 O HIS A 70 -6.026 -20.617 -14.001 1.00 0.00 O ATOM 1043 CB HIS A 70 -6.188 -21.621 -11.322 1.00 0.00 C ATOM 1044 CG HIS A 70 -4.741 -21.342 -10.959 1.00 0.00 C ATOM 1045 ND1 HIS A 70 -4.290 -21.282 -9.658 1.00 0.00 N ATOM 1046 CD2 HIS A 70 -3.638 -21.156 -11.736 1.00 0.00 C ATOM 1047 CE1 HIS A 70 -2.990 -21.070 -9.652 1.00 0.00 C ATOM 1048 NE2 HIS A 70 -2.569 -20.992 -10.897 1.00 0.00 N ATOM 0 H HIS A 70 -8.587 -21.781 -11.933 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.911 -19.605 -11.059 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.685 -22.051 -10.452 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -6.207 -22.378 -12.106 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -4.873 -21.386 -8.828 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.612 -21.141 -12.816 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.372 -20.976 -8.771 1.00 0.00 H new ATOM 1057 N HIS A 71 -6.624 -18.529 -13.344 1.00 0.00 N ATOM 1058 CA HIS A 71 -6.149 -17.836 -14.556 1.00 0.00 C ATOM 1059 C HIS A 71 -4.702 -17.357 -14.354 1.00 0.00 C ATOM 1060 O HIS A 71 -4.456 -16.231 -13.910 1.00 0.00 O ATOM 1061 CB HIS A 71 -7.115 -16.682 -14.970 1.00 0.00 C ATOM 1062 CG HIS A 71 -7.429 -15.659 -13.896 1.00 0.00 C ATOM 1063 ND1 HIS A 71 -6.843 -14.415 -13.845 1.00 0.00 N ATOM 1064 CD2 HIS A 71 -8.280 -15.705 -12.838 1.00 0.00 C ATOM 1065 CE1 HIS A 71 -7.316 -13.747 -12.813 1.00 0.00 C ATOM 1066 NE2 HIS A 71 -8.188 -14.507 -12.187 1.00 0.00 N ATOM 0 H HIS A 71 -7.067 -17.908 -12.667 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.149 -18.539 -15.389 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.682 -16.161 -15.824 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -8.052 -17.124 -15.308 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.913 -16.536 -12.562 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.035 -12.744 -12.529 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -8.711 -14.245 -11.351 1.00 0.00 H new ATOM 1075 N HIS A 72 -3.755 -18.283 -14.640 1.00 0.00 N ATOM 1076 CA HIS A 72 -2.285 -18.067 -14.545 1.00 0.00 C ATOM 1077 C HIS A 72 -1.812 -17.929 -13.074 1.00 0.00 C ATOM 1078 O HIS A 72 -2.627 -17.851 -12.145 1.00 0.00 O ATOM 1079 CB HIS A 72 -1.819 -16.836 -15.392 1.00 0.00 C ATOM 1080 CG HIS A 72 -2.071 -16.954 -16.877 1.00 0.00 C ATOM 1081 ND1 HIS A 72 -1.153 -17.475 -17.765 1.00 0.00 N ATOM 1082 CD2 HIS A 72 -3.146 -16.606 -17.626 1.00 0.00 C ATOM 1083 CE1 HIS A 72 -1.651 -17.443 -18.985 1.00 0.00 C ATOM 1084 NE2 HIS A 72 -2.857 -16.921 -18.929 1.00 0.00 N ATOM 0 H HIS A 72 -3.995 -19.224 -14.951 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.816 -18.957 -14.964 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -2.327 -15.945 -15.022 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.752 -16.685 -15.230 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -4.061 -16.162 -17.263 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.153 -17.787 -19.879 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -3.477 -16.774 -19.726 1.00 0.00 H new ATOM 1093 N HIS A 73 -0.475 -17.909 -12.884 1.00 0.00 N ATOM 1094 CA HIS A 73 0.176 -17.690 -11.577 1.00 0.00 C ATOM 1095 C HIS A 73 1.659 -17.328 -11.834 1.00 0.00 C ATOM 1096 O HIS A 73 2.458 -18.235 -12.147 1.00 0.00 O ATOM 1097 CB HIS A 73 0.041 -18.945 -10.659 1.00 0.00 C ATOM 1098 CG HIS A 73 0.671 -18.822 -9.290 1.00 0.00 C ATOM 1099 ND1 HIS A 73 0.038 -18.242 -8.214 1.00 0.00 N ATOM 1100 CD2 HIS A 73 1.880 -19.223 -8.825 1.00 0.00 C ATOM 1101 CE1 HIS A 73 0.822 -18.290 -7.159 1.00 0.00 C ATOM 1102 NE2 HIS A 73 1.943 -18.881 -7.500 1.00 0.00 N ATOM 1103 OXT HIS A 73 2.016 -16.138 -11.753 1.00 0.00 O ATOM 0 H HIS A 73 0.190 -18.046 -13.645 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.314 -16.872 -11.050 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.018 -19.169 -10.533 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.489 -19.797 -11.170 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.651 -19.720 -9.394 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.583 -17.908 -6.178 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.733 -19.057 -6.879 1.00 0.00 H new TER 1112 HIS A 73