USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 538 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 43 ASN : amide:sc= 0.974 K(o=2.1,f=-5!) USER MOD Set 1.2: A 58 LYS NZ :NH3+ -118:sc= 1.1 (180deg=0.795) USER MOD Set 2.1: A 14 GLN : amide:sc= -0.371 X(o=1.7,f=1.4) USER MOD Set 2.2: A 31 LYS NZ :NH3+ -151:sc= 1.21 (180deg=0) USER MOD Set 2.3: A 32 HIS : no HE2:sc= 0.893 K(o=1.7,f=-9.1!) USER MOD Set 3.1: A 18 SER OG : rot 180:sc= 0.225 USER MOD Set 3.2: A 30 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 12 LYS NZ :NH3+ -111:sc= 0.241 (180deg=0) USER MOD Set 4.2: A 36 THR OG1 : rot 180:sc= 0.226 USER MOD Single : A 1 GLY N :NH3+ -97:sc= 0.0436 (180deg=0) USER MOD Single : A 2 SER OG : rot 38:sc= 0.154 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 10 ASN : amide:sc= -0.014 X(o=-0.014,f=-0.03) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0812 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 179:sc= 0 (180deg=-4.22e-05) USER MOD Single : A 25 ASN : amide:sc= 0.411 K(o=0.41,f=-0.39) USER MOD Single : A 26 HIS : no HD1:sc= -1.48 X(o=-1.5,f=-1.8) USER MOD Single : A 28 ASN :FLIP amide:sc= -1.35 F(o=-2.2,f=-1.4) USER MOD Single : A 40 GLN : amide:sc= 0.809 K(o=0.81,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.167 K(o=-0.17,f=-1.7!) USER MOD Single : A 50 HIS : no HD1:sc=-0.000661 X(o=-0.00066,f=-0.0054) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.010 15.692 18.876 1.00 0.00 N ATOM 2 CA GLY A 1 -2.695 15.903 19.485 1.00 0.00 C ATOM 3 C GLY A 1 -1.654 16.230 18.433 1.00 0.00 C ATOM 4 O GLY A 1 -1.778 15.830 17.272 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.566 16.569 18.938 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.892 15.427 17.877 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.507 14.930 19.379 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.752 16.715 20.210 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.396 15.009 20.032 1.00 0.00 H new ATOM 8 N SER A 2 -0.634 16.980 18.847 1.00 0.00 N ATOM 9 CA SER A 2 0.495 17.399 18.037 1.00 0.00 C ATOM 10 C SER A 2 1.266 16.167 17.570 1.00 0.00 C ATOM 11 O SER A 2 1.761 15.414 18.414 1.00 0.00 O ATOM 12 CB SER A 2 1.374 18.320 18.898 1.00 0.00 C ATOM 13 OG SER A 2 1.539 17.781 20.203 1.00 0.00 O ATOM 0 H SER A 2 -0.575 17.326 19.805 1.00 0.00 H new ATOM 0 HA SER A 2 0.168 17.941 17.150 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.348 18.447 18.426 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.920 19.309 18.962 1.00 0.00 H new ATOM 0 HG SER A 2 1.625 16.806 20.146 1.00 0.00 H new ATOM 19 N SER A 3 1.368 15.957 16.259 1.00 0.00 N ATOM 20 CA SER A 3 2.155 14.881 15.678 1.00 0.00 C ATOM 21 C SER A 3 2.914 15.407 14.459 1.00 0.00 C ATOM 22 O SER A 3 2.594 16.466 13.907 1.00 0.00 O ATOM 23 CB SER A 3 1.238 13.705 15.324 1.00 0.00 C ATOM 24 OG SER A 3 0.556 13.235 16.474 1.00 0.00 O ATOM 0 H SER A 3 0.899 16.539 15.565 1.00 0.00 H new ATOM 0 HA SER A 3 2.890 14.519 16.397 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.516 14.016 14.569 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.826 12.897 14.889 1.00 0.00 H new ATOM 0 HG SER A 3 -0.025 12.486 16.226 1.00 0.00 H new ATOM 30 N GLY A 4 3.940 14.670 14.042 1.00 0.00 N ATOM 31 CA GLY A 4 4.867 15.096 13.006 1.00 0.00 C ATOM 32 C GLY A 4 4.473 14.641 11.605 1.00 0.00 C ATOM 33 O GLY A 4 5.191 14.981 10.666 1.00 0.00 O ATOM 0 H GLY A 4 4.151 13.747 14.422 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.937 16.184 13.019 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.860 14.710 13.238 1.00 0.00 H new ATOM 37 N SER A 5 3.368 13.901 11.461 1.00 0.00 N ATOM 38 CA SER A 5 3.018 13.116 10.283 1.00 0.00 C ATOM 39 C SER A 5 4.140 12.120 9.984 1.00 0.00 C ATOM 40 O SER A 5 5.175 12.443 9.392 1.00 0.00 O ATOM 41 CB SER A 5 2.650 14.020 9.108 1.00 0.00 C ATOM 42 OG SER A 5 1.799 13.333 8.213 1.00 0.00 O ATOM 0 H SER A 5 2.666 13.833 12.198 1.00 0.00 H new ATOM 0 HA SER A 5 2.120 12.529 10.475 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.156 14.920 9.473 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.553 14.340 8.589 1.00 0.00 H new ATOM 0 HG SER A 5 1.568 13.922 7.464 1.00 0.00 H new ATOM 48 N SER A 6 3.987 10.908 10.504 1.00 0.00 N ATOM 49 CA SER A 6 5.095 9.981 10.641 1.00 0.00 C ATOM 50 C SER A 6 4.532 8.595 10.900 1.00 0.00 C ATOM 51 O SER A 6 3.634 8.467 11.738 1.00 0.00 O ATOM 52 CB SER A 6 5.973 10.440 11.819 1.00 0.00 C ATOM 53 OG SER A 6 5.211 10.923 12.921 1.00 0.00 O ATOM 0 H SER A 6 3.095 10.545 10.840 1.00 0.00 H new ATOM 0 HA SER A 6 5.702 9.955 9.736 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.593 9.607 12.150 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.648 11.225 11.478 1.00 0.00 H new ATOM 0 HG SER A 6 5.816 11.199 13.641 1.00 0.00 H new ATOM 59 N GLY A 7 5.095 7.558 10.283 1.00 0.00 N ATOM 60 CA GLY A 7 4.661 6.182 10.464 1.00 0.00 C ATOM 61 C GLY A 7 3.183 6.063 10.121 1.00 0.00 C ATOM 62 O GLY A 7 2.358 5.826 11.007 1.00 0.00 O ATOM 0 H GLY A 7 5.876 7.656 9.635 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.247 5.519 9.828 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.832 5.869 11.494 1.00 0.00 H new ATOM 66 N VAL A 8 2.862 6.265 8.846 1.00 0.00 N ATOM 67 CA VAL A 8 1.516 6.122 8.308 1.00 0.00 C ATOM 68 C VAL A 8 1.020 4.666 8.432 1.00 0.00 C ATOM 69 O VAL A 8 1.581 3.842 9.165 1.00 0.00 O ATOM 70 CB VAL A 8 1.464 6.675 6.865 1.00 0.00 C ATOM 71 CG1 VAL A 8 1.877 8.155 6.809 1.00 0.00 C ATOM 72 CG2 VAL A 8 2.331 5.850 5.905 1.00 0.00 C ATOM 0 H VAL A 8 3.548 6.539 8.143 1.00 0.00 H new ATOM 0 HA VAL A 8 0.821 6.718 8.899 1.00 0.00 H new ATOM 0 HB VAL A 8 0.426 6.595 6.541 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.828 8.508 5.779 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.201 8.745 7.427 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.896 8.263 7.181 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.266 6.272 4.902 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.368 5.871 6.241 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.976 4.820 5.888 1.00 0.00 H new ATOM 82 N GLU A 9 -0.085 4.353 7.764 1.00 0.00 N ATOM 83 CA GLU A 9 -0.637 3.013 7.660 1.00 0.00 C ATOM 84 C GLU A 9 0.314 2.075 6.887 1.00 0.00 C ATOM 85 O GLU A 9 1.377 2.482 6.407 1.00 0.00 O ATOM 86 CB GLU A 9 -2.008 3.166 6.993 1.00 0.00 C ATOM 87 CG GLU A 9 -2.933 1.975 7.224 1.00 0.00 C ATOM 88 CD GLU A 9 -4.385 2.311 6.872 1.00 0.00 C ATOM 89 OE1 GLU A 9 -4.671 2.853 5.781 1.00 0.00 O ATOM 90 OE2 GLU A 9 -5.285 2.023 7.701 1.00 0.00 O ATOM 0 H GLU A 9 -0.637 5.050 7.265 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.752 2.545 8.638 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.489 4.068 7.371 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.868 3.305 5.921 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.598 1.131 6.621 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.874 1.665 8.267 1.00 0.00 H new ATOM 97 N ASN A 10 -0.053 0.799 6.776 1.00 0.00 N ATOM 98 CA ASN A 10 0.675 -0.198 5.995 1.00 0.00 C ATOM 99 C ASN A 10 0.644 0.150 4.501 1.00 0.00 C ATOM 100 O ASN A 10 -0.110 1.028 4.068 1.00 0.00 O ATOM 101 CB ASN A 10 0.059 -1.586 6.229 1.00 0.00 C ATOM 102 CG ASN A 10 0.077 -1.998 7.691 1.00 0.00 C ATOM 103 OD1 ASN A 10 -0.884 -1.783 8.423 1.00 0.00 O ATOM 104 ND2 ASN A 10 1.157 -2.593 8.164 1.00 0.00 N ATOM 0 H ASN A 10 -0.882 0.423 7.236 1.00 0.00 H new ATOM 0 HA ASN A 10 1.716 -0.205 6.320 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.970 -1.588 5.868 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.604 -2.324 5.641 1.00 0.00 H new ATOM 0 HD21 ASN A 10 1.196 -2.877 9.143 1.00 0.00 H new ATOM 0 HD22 ASN A 10 1.953 -2.769 7.550 1.00 0.00 H new ATOM 111 N LEU A 11 1.406 -0.590 3.693 1.00 0.00 N ATOM 112 CA LEU A 11 1.481 -0.435 2.249 1.00 0.00 C ATOM 113 C LEU A 11 0.103 -0.770 1.660 1.00 0.00 C ATOM 114 O LEU A 11 -0.610 -1.619 2.185 1.00 0.00 O ATOM 115 CB LEU A 11 2.631 -1.346 1.744 1.00 0.00 C ATOM 116 CG LEU A 11 2.610 -1.672 0.260 1.00 0.00 C ATOM 117 CD1 LEU A 11 2.851 -0.415 -0.567 1.00 0.00 C ATOM 118 CD2 LEU A 11 3.691 -2.725 -0.011 1.00 0.00 C ATOM 0 H LEU A 11 2.006 -1.337 4.043 1.00 0.00 H new ATOM 0 HA LEU A 11 1.713 0.582 1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.581 -0.865 1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.601 -2.281 2.303 1.00 0.00 H new ATOM 0 HG LEU A 11 1.634 -2.064 -0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.833 -0.668 -1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.070 0.316 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.823 0.008 -0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.696 -2.977 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.665 -2.327 0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.481 -3.621 0.573 1.00 0.00 H new ATOM 130 N LYS A 12 -0.283 -0.154 0.542 1.00 0.00 N ATOM 131 CA LYS A 12 -1.375 -0.635 -0.300 1.00 0.00 C ATOM 132 C LYS A 12 -0.836 -0.941 -1.683 1.00 0.00 C ATOM 133 O LYS A 12 0.121 -0.320 -2.155 1.00 0.00 O ATOM 134 CB LYS A 12 -2.542 0.354 -0.354 1.00 0.00 C ATOM 135 CG LYS A 12 -3.198 0.519 1.024 1.00 0.00 C ATOM 136 CD LYS A 12 -4.688 0.837 0.885 1.00 0.00 C ATOM 137 CE LYS A 12 -5.297 1.432 2.160 1.00 0.00 C ATOM 138 NZ LYS A 12 -5.788 0.414 3.106 1.00 0.00 N ATOM 0 H LYS A 12 0.157 0.698 0.194 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.778 -1.548 0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.185 1.321 -0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.284 0.006 -1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.070 -0.395 1.604 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.701 1.318 1.574 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.829 1.537 0.061 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.225 -0.075 0.624 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.548 2.048 2.658 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.121 2.091 1.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.827 0.450 3.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.487 -0.529 2.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.398 0.602 4.052 1.00 0.00 H new ATOM 152 N ALA A 13 -1.480 -1.887 -2.357 1.00 0.00 N ATOM 153 CA ALA A 13 -1.233 -2.196 -3.747 1.00 0.00 C ATOM 154 C ALA A 13 -2.587 -2.331 -4.424 1.00 0.00 C ATOM 155 O ALA A 13 -3.505 -2.938 -3.872 1.00 0.00 O ATOM 156 CB ALA A 13 -0.345 -3.438 -3.880 1.00 0.00 C ATOM 0 H ALA A 13 -2.204 -2.470 -1.936 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.675 -1.403 -4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.173 -3.651 -4.935 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.610 -3.257 -3.386 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.839 -4.290 -3.414 1.00 0.00 H new ATOM 162 N GLN A 14 -2.735 -1.712 -5.595 1.00 0.00 N ATOM 163 CA GLN A 14 -3.899 -1.887 -6.432 1.00 0.00 C ATOM 164 C GLN A 14 -3.662 -3.144 -7.273 1.00 0.00 C ATOM 165 O GLN A 14 -2.644 -3.244 -7.967 1.00 0.00 O ATOM 166 CB GLN A 14 -4.120 -0.613 -7.261 1.00 0.00 C ATOM 167 CG GLN A 14 -5.500 -0.658 -7.942 1.00 0.00 C ATOM 168 CD GLN A 14 -5.891 0.640 -8.656 1.00 0.00 C ATOM 169 OE1 GLN A 14 -5.742 1.740 -8.131 1.00 0.00 O ATOM 170 NE2 GLN A 14 -6.441 0.575 -9.856 1.00 0.00 N ATOM 0 H GLN A 14 -2.041 -1.073 -5.983 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.816 -2.032 -5.860 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.051 0.265 -6.618 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.337 -0.519 -8.014 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.510 -1.474 -8.665 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.256 -0.888 -7.191 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -6.573 -0.330 -10.308 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.733 1.430 -10.330 1.00 0.00 H new ATOM 179 N ALA A 15 -4.561 -4.123 -7.184 1.00 0.00 N ATOM 180 CA ALA A 15 -4.522 -5.305 -8.031 1.00 0.00 C ATOM 181 C ALA A 15 -4.709 -4.929 -9.503 1.00 0.00 C ATOM 182 O ALA A 15 -5.432 -3.994 -9.851 1.00 0.00 O ATOM 183 CB ALA A 15 -5.578 -6.304 -7.552 1.00 0.00 C ATOM 0 H ALA A 15 -5.336 -4.115 -6.521 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.543 -5.778 -7.954 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.552 -7.192 -8.184 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.370 -6.587 -6.520 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.565 -5.846 -7.610 1.00 0.00 H new ATOM 189 N LEU A 16 -4.060 -5.679 -10.391 1.00 0.00 N ATOM 190 CA LEU A 16 -4.065 -5.414 -11.828 1.00 0.00 C ATOM 191 C LEU A 16 -5.067 -6.294 -12.567 1.00 0.00 C ATOM 192 O LEU A 16 -5.443 -5.949 -13.683 1.00 0.00 O ATOM 193 CB LEU A 16 -2.653 -5.593 -12.413 1.00 0.00 C ATOM 194 CG LEU A 16 -1.621 -4.599 -11.851 1.00 0.00 C ATOM 195 CD1 LEU A 16 -0.242 -4.875 -12.444 1.00 0.00 C ATOM 196 CD2 LEU A 16 -2.010 -3.145 -12.126 1.00 0.00 C ATOM 0 H LEU A 16 -3.510 -6.497 -10.130 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.377 -4.379 -11.968 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.312 -6.609 -12.213 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.701 -5.480 -13.496 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.596 -4.742 -10.771 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.478 -4.164 -12.038 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.067 -5.889 -12.191 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.284 -4.769 -13.528 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.252 -2.481 -11.711 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.083 -2.985 -13.202 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.973 -2.932 -11.662 1.00 0.00 H new ATOM 208 N CYS A 17 -5.537 -7.388 -11.972 1.00 0.00 N ATOM 209 CA CYS A 17 -6.538 -8.275 -12.546 1.00 0.00 C ATOM 210 C CYS A 17 -7.141 -9.119 -11.436 1.00 0.00 C ATOM 211 O CYS A 17 -6.460 -9.398 -10.445 1.00 0.00 O ATOM 212 CB CYS A 17 -5.919 -9.208 -13.595 1.00 0.00 C ATOM 213 SG CYS A 17 -7.183 -9.617 -14.832 1.00 0.00 S ATOM 0 H CYS A 17 -5.220 -7.688 -11.050 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.301 -7.666 -13.031 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.066 -8.726 -14.072 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.548 -10.116 -13.120 1.00 0.00 H new ATOM 0 HG CYS A 17 -6.672 -10.406 -15.730 1.00 0.00 H new ATOM 219 N SER A 18 -8.378 -9.550 -11.653 1.00 0.00 N ATOM 220 CA SER A 18 -9.159 -10.398 -10.776 1.00 0.00 C ATOM 221 C SER A 18 -8.477 -11.762 -10.632 1.00 0.00 C ATOM 222 O SER A 18 -7.861 -12.240 -11.590 1.00 0.00 O ATOM 223 CB SER A 18 -10.564 -10.544 -11.382 1.00 0.00 C ATOM 224 OG SER A 18 -10.941 -9.441 -12.197 1.00 0.00 O ATOM 0 H SER A 18 -8.889 -9.298 -12.499 1.00 0.00 H new ATOM 0 HA SER A 18 -9.236 -9.959 -9.781 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.603 -11.457 -11.977 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.290 -10.657 -10.577 1.00 0.00 H new ATOM 0 HG SER A 18 -11.841 -9.591 -12.555 1.00 0.00 H new ATOM 230 N TRP A 19 -8.558 -12.391 -9.459 1.00 0.00 N ATOM 231 CA TRP A 19 -7.822 -13.609 -9.161 1.00 0.00 C ATOM 232 C TRP A 19 -8.464 -14.361 -7.985 1.00 0.00 C ATOM 233 O TRP A 19 -8.301 -13.963 -6.829 1.00 0.00 O ATOM 234 CB TRP A 19 -6.362 -13.227 -8.879 1.00 0.00 C ATOM 235 CG TRP A 19 -5.464 -14.378 -8.588 1.00 0.00 C ATOM 236 CD1 TRP A 19 -5.233 -15.418 -9.415 1.00 0.00 C ATOM 237 CD2 TRP A 19 -4.755 -14.679 -7.357 1.00 0.00 C ATOM 238 NE1 TRP A 19 -4.471 -16.365 -8.771 1.00 0.00 N ATOM 239 CE2 TRP A 19 -4.207 -15.987 -7.475 1.00 0.00 C ATOM 240 CE3 TRP A 19 -4.580 -14.006 -6.130 1.00 0.00 C ATOM 241 CZ2 TRP A 19 -3.610 -16.635 -6.392 1.00 0.00 C ATOM 242 CZ3 TRP A 19 -3.958 -14.642 -5.039 1.00 0.00 C ATOM 243 CH2 TRP A 19 -3.495 -15.962 -5.174 1.00 0.00 C ATOM 0 H TRP A 19 -9.141 -12.064 -8.688 1.00 0.00 H new ATOM 0 HA TRP A 19 -7.853 -14.291 -10.011 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.969 -12.686 -9.740 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.337 -12.541 -8.032 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -5.592 -15.496 -10.430 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -4.145 -17.232 -9.198 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -4.928 -12.989 -6.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -3.241 -17.645 -6.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -3.837 -14.118 -4.102 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -3.046 -16.461 -4.328 1.00 0.00 H new ATOM 254 N THR A 20 -9.183 -15.440 -8.299 1.00 0.00 N ATOM 255 CA THR A 20 -9.795 -16.407 -7.385 1.00 0.00 C ATOM 256 C THR A 20 -8.760 -17.145 -6.519 1.00 0.00 C ATOM 257 O THR A 20 -7.585 -17.226 -6.899 1.00 0.00 O ATOM 258 CB THR A 20 -10.586 -17.419 -8.246 1.00 0.00 C ATOM 259 OG1 THR A 20 -9.892 -17.759 -9.442 1.00 0.00 O ATOM 260 CG2 THR A 20 -11.935 -16.828 -8.657 1.00 0.00 C ATOM 0 H THR A 20 -9.367 -15.679 -9.273 1.00 0.00 H new ATOM 0 HA THR A 20 -10.446 -15.875 -6.691 1.00 0.00 H new ATOM 0 HB THR A 20 -10.716 -18.311 -7.633 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.423 -18.401 -9.957 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.480 -17.552 -9.263 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.515 -16.591 -7.765 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.773 -15.919 -9.237 1.00 0.00 H new ATOM 268 N ALA A 21 -9.196 -17.756 -5.408 1.00 0.00 N ATOM 269 CA ALA A 21 -8.407 -18.691 -4.599 1.00 0.00 C ATOM 270 C ALA A 21 -8.200 -20.015 -5.330 1.00 0.00 C ATOM 271 O ALA A 21 -8.880 -20.297 -6.318 1.00 0.00 O ATOM 272 CB ALA A 21 -9.159 -19.041 -3.307 1.00 0.00 C ATOM 0 H ALA A 21 -10.135 -17.608 -5.038 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.454 -18.202 -4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.563 -19.736 -2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.335 -18.133 -2.731 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.114 -19.504 -3.556 1.00 0.00 H new ATOM 278 N LYS A 22 -7.273 -20.826 -4.814 1.00 0.00 N ATOM 279 CA LYS A 22 -6.821 -22.092 -5.383 1.00 0.00 C ATOM 280 C LYS A 22 -6.260 -22.930 -4.238 1.00 0.00 C ATOM 281 O LYS A 22 -6.874 -23.909 -3.823 1.00 0.00 O ATOM 282 CB LYS A 22 -5.762 -21.841 -6.477 1.00 0.00 C ATOM 283 CG LYS A 22 -6.370 -21.240 -7.754 1.00 0.00 C ATOM 284 CD LYS A 22 -5.337 -20.958 -8.836 1.00 0.00 C ATOM 285 CE LYS A 22 -6.122 -20.616 -10.106 1.00 0.00 C ATOM 286 NZ LYS A 22 -5.250 -20.210 -11.223 1.00 0.00 N ATOM 0 H LYS A 22 -6.794 -20.603 -3.942 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.644 -22.624 -5.860 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.997 -21.168 -6.091 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.266 -22.780 -6.721 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.121 -21.925 -8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.885 -20.313 -7.502 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.688 -20.132 -8.547 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.697 -21.825 -8.997 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.712 -21.482 -10.407 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.824 -19.812 -9.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.833 -19.990 -12.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.705 -19.367 -10.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.596 -20.986 -11.453 1.00 0.00 H new ATOM 300 N LYS A 23 -5.122 -22.500 -3.685 1.00 0.00 N ATOM 301 CA LYS A 23 -4.636 -22.945 -2.383 1.00 0.00 C ATOM 302 C LYS A 23 -5.429 -22.239 -1.279 1.00 0.00 C ATOM 303 O LYS A 23 -6.340 -21.457 -1.570 1.00 0.00 O ATOM 304 CB LYS A 23 -3.122 -22.699 -2.292 1.00 0.00 C ATOM 305 CG LYS A 23 -2.293 -23.734 -3.070 1.00 0.00 C ATOM 306 CD LYS A 23 -1.704 -24.812 -2.142 1.00 0.00 C ATOM 307 CE LYS A 23 -1.464 -26.176 -2.803 1.00 0.00 C ATOM 308 NZ LYS A 23 -0.754 -26.125 -4.099 1.00 0.00 N ATOM 0 H LYS A 23 -4.507 -21.824 -4.138 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.792 -24.016 -2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.899 -21.703 -2.674 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.820 -22.714 -1.245 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.920 -24.208 -3.825 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.485 -23.229 -3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.758 -24.448 -1.741 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.377 -24.949 -1.296 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.892 -26.800 -2.117 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.427 -26.665 -2.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.622 -27.091 -4.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.314 -25.573 -4.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.174 -25.675 -3.969 1.00 0.00 H new ATOM 322 N ASP A 24 -5.109 -22.553 -0.025 1.00 0.00 N ATOM 323 CA ASP A 24 -5.995 -22.381 1.126 1.00 0.00 C ATOM 324 C ASP A 24 -5.707 -21.131 1.969 1.00 0.00 C ATOM 325 O ASP A 24 -6.497 -20.766 2.844 1.00 0.00 O ATOM 326 CB ASP A 24 -5.889 -23.652 1.980 1.00 0.00 C ATOM 327 CG ASP A 24 -7.016 -23.774 3.003 1.00 0.00 C ATOM 328 OD1 ASP A 24 -8.182 -23.491 2.647 1.00 0.00 O ATOM 329 OD2 ASP A 24 -6.762 -24.284 4.115 1.00 0.00 O ATOM 0 H ASP A 24 -4.201 -22.945 0.226 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.007 -22.227 0.752 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.901 -24.525 1.327 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.931 -23.656 2.500 1.00 0.00 H new ATOM 334 N ASN A 25 -4.603 -20.427 1.700 1.00 0.00 N ATOM 335 CA ASN A 25 -4.199 -19.198 2.388 1.00 0.00 C ATOM 336 C ASN A 25 -3.910 -18.082 1.385 1.00 0.00 C ATOM 337 O ASN A 25 -2.979 -17.298 1.569 1.00 0.00 O ATOM 338 CB ASN A 25 -3.063 -19.428 3.412 1.00 0.00 C ATOM 339 CG ASN A 25 -1.791 -20.076 2.883 1.00 0.00 C ATOM 340 OD1 ASN A 25 -1.819 -21.213 2.426 1.00 0.00 O ATOM 341 ND2 ASN A 25 -0.629 -19.455 3.016 1.00 0.00 N ATOM 0 H ASN A 25 -3.944 -20.707 0.973 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.042 -18.863 2.992 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.799 -18.465 3.850 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.452 -20.049 4.219 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.234 -19.923 2.739 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.597 -18.509 3.395 1.00 0.00 H new ATOM 348 N HIS A 26 -4.693 -18.002 0.305 1.00 0.00 N ATOM 349 CA HIS A 26 -4.668 -16.884 -0.633 1.00 0.00 C ATOM 350 C HIS A 26 -5.651 -15.773 -0.216 1.00 0.00 C ATOM 351 O HIS A 26 -6.529 -15.982 0.618 1.00 0.00 O ATOM 352 CB HIS A 26 -4.920 -17.414 -2.056 1.00 0.00 C ATOM 353 CG HIS A 26 -3.792 -18.253 -2.613 1.00 0.00 C ATOM 354 ND1 HIS A 26 -3.847 -19.018 -3.758 1.00 0.00 N ATOM 355 CD2 HIS A 26 -2.508 -18.317 -2.145 1.00 0.00 C ATOM 356 CE1 HIS A 26 -2.627 -19.534 -3.973 1.00 0.00 C ATOM 357 NE2 HIS A 26 -1.791 -19.172 -2.986 1.00 0.00 N ATOM 0 H HIS A 26 -5.370 -18.724 0.057 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.684 -16.416 -0.620 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -5.833 -18.009 -2.054 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -5.092 -16.568 -2.722 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -2.119 -17.800 -1.281 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.357 -20.151 -4.817 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.821 -19.465 -2.872 1.00 0.00 H new ATOM 365 N LEU A 27 -5.454 -14.571 -0.771 1.00 0.00 N ATOM 366 CA LEU A 27 -6.154 -13.324 -0.442 1.00 0.00 C ATOM 367 C LEU A 27 -7.484 -13.233 -1.187 1.00 0.00 C ATOM 368 O LEU A 27 -8.536 -13.209 -0.565 1.00 0.00 O ATOM 369 CB LEU A 27 -5.216 -12.136 -0.758 1.00 0.00 C ATOM 370 CG LEU A 27 -5.791 -10.716 -0.565 1.00 0.00 C ATOM 371 CD1 LEU A 27 -6.544 -10.252 -1.808 1.00 0.00 C ATOM 372 CD2 LEU A 27 -6.632 -10.608 0.696 1.00 0.00 C ATOM 0 H LEU A 27 -4.760 -14.435 -1.506 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.400 -13.299 0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.329 -12.230 -0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.887 -12.230 -1.793 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.949 -10.037 -0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.937 -9.249 -1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.865 -10.239 -2.661 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.368 -10.936 -2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.016 -9.592 0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.466 -11.307 0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.018 -10.847 1.564 1.00 0.00 H new ATOM 384 N ASN A 28 -7.410 -13.213 -2.523 1.00 0.00 N ATOM 385 CA ASN A 28 -8.500 -13.262 -3.504 1.00 0.00 C ATOM 386 C ASN A 28 -8.998 -11.830 -3.748 1.00 0.00 C ATOM 387 O ASN A 28 -9.635 -11.246 -2.870 1.00 0.00 O ATOM 388 CB ASN A 28 -9.690 -14.167 -3.104 1.00 0.00 C ATOM 389 CG ASN A 28 -9.436 -15.491 -2.388 1.00 0.00 C ATOM 390 OD1 ASN A 28 -8.224 -16.030 -2.390 1.00 0.00 O flip ATOM 391 ND2 ASN A 28 -10.359 -16.067 -1.824 1.00 0.00 N flip ATOM 0 H ASN A 28 -6.503 -13.157 -2.987 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.088 -13.710 -4.408 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.347 -13.575 -2.467 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.246 -14.392 -4.014 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.292 -15.654 -1.821 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.194 -16.959 -1.357 1.00 0.00 H new ATOM 398 N PHE A 29 -8.703 -11.241 -4.911 1.00 0.00 N ATOM 399 CA PHE A 29 -9.112 -9.872 -5.261 1.00 0.00 C ATOM 400 C PHE A 29 -9.755 -9.832 -6.648 1.00 0.00 C ATOM 401 O PHE A 29 -9.717 -10.833 -7.371 1.00 0.00 O ATOM 402 CB PHE A 29 -7.929 -8.888 -5.149 1.00 0.00 C ATOM 403 CG PHE A 29 -6.578 -9.316 -5.717 1.00 0.00 C ATOM 404 CD1 PHE A 29 -6.437 -9.772 -7.043 1.00 0.00 C ATOM 405 CD2 PHE A 29 -5.428 -9.216 -4.910 1.00 0.00 C ATOM 406 CE1 PHE A 29 -5.176 -10.170 -7.524 1.00 0.00 C ATOM 407 CE2 PHE A 29 -4.171 -9.611 -5.390 1.00 0.00 C ATOM 408 CZ PHE A 29 -4.046 -10.109 -6.693 1.00 0.00 C ATOM 0 H PHE A 29 -8.168 -11.704 -5.646 1.00 0.00 H new ATOM 0 HA PHE A 29 -9.865 -9.550 -4.542 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.219 -7.961 -5.643 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.788 -8.656 -4.093 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.299 -9.816 -7.692 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.516 -8.829 -3.906 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.077 -10.525 -8.539 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.301 -9.531 -4.756 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.086 -10.444 -7.056 1.00 0.00 H new ATOM 418 N SER A 30 -10.308 -8.682 -7.030 1.00 0.00 N ATOM 419 CA SER A 30 -10.795 -8.374 -8.360 1.00 0.00 C ATOM 420 C SER A 30 -9.836 -7.395 -9.055 1.00 0.00 C ATOM 421 O SER A 30 -8.911 -6.841 -8.450 1.00 0.00 O ATOM 422 CB SER A 30 -12.203 -7.785 -8.274 1.00 0.00 C ATOM 423 OG SER A 30 -13.063 -8.431 -9.196 1.00 0.00 O ATOM 0 H SER A 30 -10.432 -7.904 -6.382 1.00 0.00 H new ATOM 0 HA SER A 30 -10.839 -9.290 -8.950 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.591 -7.900 -7.262 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.171 -6.716 -8.484 1.00 0.00 H new ATOM 0 HG SER A 30 -13.962 -8.046 -9.130 1.00 0.00 H new ATOM 429 N LYS A 31 -10.056 -7.158 -10.351 1.00 0.00 N ATOM 430 CA LYS A 31 -9.330 -6.147 -11.108 1.00 0.00 C ATOM 431 C LYS A 31 -9.548 -4.789 -10.454 1.00 0.00 C ATOM 432 O LYS A 31 -10.677 -4.312 -10.347 1.00 0.00 O ATOM 433 CB LYS A 31 -9.734 -6.208 -12.592 1.00 0.00 C ATOM 434 CG LYS A 31 -8.862 -5.254 -13.435 1.00 0.00 C ATOM 435 CD LYS A 31 -8.607 -5.747 -14.870 1.00 0.00 C ATOM 436 CE LYS A 31 -7.569 -4.871 -15.596 1.00 0.00 C ATOM 437 NZ LYS A 31 -8.138 -3.652 -16.201 1.00 0.00 N ATOM 0 H LYS A 31 -10.747 -7.667 -10.903 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.256 -6.335 -11.090 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.627 -7.228 -12.961 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.785 -5.938 -12.699 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.345 -4.278 -13.477 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.904 -5.114 -12.934 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.258 -6.779 -14.844 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.543 -5.741 -15.429 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.790 -4.585 -14.889 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.090 -5.463 -16.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.576 -3.383 -17.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.120 -3.834 -16.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.120 -2.879 -15.506 1.00 0.00 H new ATOM 451 N HIS A 32 -8.436 -4.182 -10.037 1.00 0.00 N ATOM 452 CA HIS A 32 -8.340 -2.846 -9.490 1.00 0.00 C ATOM 453 C HIS A 32 -8.962 -2.689 -8.112 1.00 0.00 C ATOM 454 O HIS A 32 -9.149 -1.559 -7.653 1.00 0.00 O ATOM 455 CB HIS A 32 -8.750 -1.800 -10.527 1.00 0.00 C ATOM 456 CG HIS A 32 -7.945 -1.910 -11.799 1.00 0.00 C ATOM 457 ND1 HIS A 32 -6.632 -2.328 -11.943 1.00 0.00 N ATOM 458 CD2 HIS A 32 -8.472 -1.769 -13.045 1.00 0.00 C ATOM 459 CE1 HIS A 32 -6.381 -2.409 -13.264 1.00 0.00 C ATOM 460 NE2 HIS A 32 -7.468 -2.059 -13.968 1.00 0.00 N ATOM 0 H HIS A 32 -7.529 -4.646 -10.079 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.288 -2.654 -9.278 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -9.809 -1.916 -10.758 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.624 -0.803 -10.104 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -5.977 -2.536 -11.189 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -9.487 -1.483 -13.278 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.438 -2.713 -13.695 1.00 0.00 H new ATOM 468 N ASP A 33 -9.175 -3.784 -7.387 1.00 0.00 N ATOM 469 CA ASP A 33 -9.294 -3.662 -5.941 1.00 0.00 C ATOM 470 C ASP A 33 -8.022 -3.047 -5.381 1.00 0.00 C ATOM 471 O ASP A 33 -6.933 -3.209 -5.937 1.00 0.00 O ATOM 472 CB ASP A 33 -9.552 -5.006 -5.272 1.00 0.00 C ATOM 473 CG ASP A 33 -11.035 -5.325 -5.276 1.00 0.00 C ATOM 474 OD1 ASP A 33 -11.856 -4.457 -4.898 1.00 0.00 O ATOM 475 OD2 ASP A 33 -11.352 -6.456 -5.686 1.00 0.00 O ATOM 0 H ASP A 33 -9.266 -4.729 -7.759 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.150 -3.021 -5.729 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.004 -5.790 -5.794 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.181 -4.986 -4.247 1.00 0.00 H new ATOM 480 N ILE A 34 -8.172 -2.334 -4.275 1.00 0.00 N ATOM 481 CA ILE A 34 -7.090 -1.796 -3.477 1.00 0.00 C ATOM 482 C ILE A 34 -7.017 -2.726 -2.285 1.00 0.00 C ATOM 483 O ILE A 34 -8.046 -3.012 -1.673 1.00 0.00 O ATOM 484 CB ILE A 34 -7.421 -0.345 -3.075 1.00 0.00 C ATOM 485 CG1 ILE A 34 -7.424 0.577 -4.320 1.00 0.00 C ATOM 486 CG2 ILE A 34 -6.493 0.141 -1.941 1.00 0.00 C ATOM 487 CD1 ILE A 34 -6.061 1.151 -4.666 1.00 0.00 C ATOM 0 H ILE A 34 -9.092 -2.107 -3.896 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.133 -1.749 -3.998 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.431 -0.306 -2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.798 0.014 -5.175 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.120 1.398 -4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.748 1.167 -1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.618 -0.500 -1.068 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.457 0.099 -2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.147 1.785 -5.548 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.692 1.743 -3.828 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.365 0.338 -4.870 1.00 0.00 H new ATOM 499 N ILE A 35 -5.824 -3.215 -1.975 1.00 0.00 N ATOM 500 CA ILE A 35 -5.622 -4.185 -0.918 1.00 0.00 C ATOM 501 C ILE A 35 -4.577 -3.581 0.009 1.00 0.00 C ATOM 502 O ILE A 35 -3.565 -3.039 -0.447 1.00 0.00 O ATOM 503 CB ILE A 35 -5.224 -5.541 -1.542 1.00 0.00 C ATOM 504 CG1 ILE A 35 -6.214 -6.010 -2.637 1.00 0.00 C ATOM 505 CG2 ILE A 35 -4.954 -6.650 -0.507 1.00 0.00 C ATOM 506 CD1 ILE A 35 -5.685 -5.850 -4.057 1.00 0.00 C ATOM 0 H ILE A 35 -4.966 -2.945 -2.456 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.518 -4.395 -0.334 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.269 -5.349 -2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.459 -7.058 -2.467 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.142 -5.446 -2.540 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.681 -7.570 -1.023 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.138 -6.345 0.148 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.852 -6.820 0.087 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.435 -6.200 -4.766 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.467 -4.799 -4.248 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.774 -6.436 -4.174 1.00 0.00 H new ATOM 518 N THR A 36 -4.843 -3.681 1.304 1.00 0.00 N ATOM 519 CA THR A 36 -3.944 -3.349 2.387 1.00 0.00 C ATOM 520 C THR A 36 -2.866 -4.427 2.359 1.00 0.00 C ATOM 521 O THR A 36 -3.142 -5.574 2.686 1.00 0.00 O ATOM 522 CB THR A 36 -4.759 -3.374 3.693 1.00 0.00 C ATOM 523 OG1 THR A 36 -5.843 -2.454 3.635 1.00 0.00 O ATOM 524 CG2 THR A 36 -3.933 -3.058 4.931 1.00 0.00 C ATOM 0 H THR A 36 -5.746 -4.016 1.640 1.00 0.00 H new ATOM 0 HA THR A 36 -3.485 -2.364 2.303 1.00 0.00 H new ATOM 0 HB THR A 36 -5.124 -4.397 3.782 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.347 -2.489 4.475 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.572 -3.094 5.813 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.133 -3.792 5.032 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.501 -2.062 4.836 1.00 0.00 H new ATOM 532 N VAL A 37 -1.672 -4.111 1.881 1.00 0.00 N ATOM 533 CA VAL A 37 -0.516 -4.991 2.006 1.00 0.00 C ATOM 534 C VAL A 37 -0.120 -5.026 3.483 1.00 0.00 C ATOM 535 O VAL A 37 -0.330 -4.055 4.205 1.00 0.00 O ATOM 536 CB VAL A 37 0.630 -4.483 1.112 1.00 0.00 C ATOM 537 CG1 VAL A 37 1.820 -5.459 1.137 1.00 0.00 C ATOM 538 CG2 VAL A 37 0.151 -4.343 -0.345 1.00 0.00 C ATOM 0 H VAL A 37 -1.475 -3.236 1.395 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.750 -6.002 1.674 1.00 0.00 H new ATOM 0 HB VAL A 37 0.943 -3.514 1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.617 -5.078 0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.189 -5.557 2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.498 -6.435 0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.972 -3.983 -0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.183 -5.313 -0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.675 -3.634 -0.390 1.00 0.00 H new ATOM 548 N LEU A 38 0.446 -6.143 3.946 1.00 0.00 N ATOM 549 CA LEU A 38 0.743 -6.355 5.358 1.00 0.00 C ATOM 550 C LEU A 38 2.106 -7.016 5.550 1.00 0.00 C ATOM 551 O LEU A 38 2.898 -6.548 6.368 1.00 0.00 O ATOM 552 CB LEU A 38 -0.356 -7.223 5.996 1.00 0.00 C ATOM 553 CG LEU A 38 -1.769 -6.602 6.003 1.00 0.00 C ATOM 554 CD1 LEU A 38 -2.776 -7.689 6.387 1.00 0.00 C ATOM 555 CD2 LEU A 38 -1.887 -5.416 6.963 1.00 0.00 C ATOM 0 H LEU A 38 0.711 -6.926 3.348 1.00 0.00 H new ATOM 0 HA LEU A 38 0.772 -5.381 5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.398 -8.174 5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.070 -7.444 7.024 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.975 -6.216 5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.781 -7.267 6.397 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.730 -8.500 5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.535 -8.075 7.377 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.901 -5.018 6.927 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.662 -5.745 7.977 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.182 -4.638 6.669 1.00 0.00 H new ATOM 567 N GLU A 39 2.421 -8.074 4.801 1.00 0.00 N ATOM 568 CA GLU A 39 3.659 -8.850 4.944 1.00 0.00 C ATOM 569 C GLU A 39 4.211 -9.129 3.551 1.00 0.00 C ATOM 570 O GLU A 39 3.427 -9.176 2.610 1.00 0.00 O ATOM 571 CB GLU A 39 3.355 -10.167 5.686 1.00 0.00 C ATOM 572 CG GLU A 39 4.431 -10.624 6.677 1.00 0.00 C ATOM 573 CD GLU A 39 3.921 -10.512 8.117 1.00 0.00 C ATOM 574 OE1 GLU A 39 3.189 -11.431 8.552 1.00 0.00 O ATOM 575 OE2 GLU A 39 4.197 -9.466 8.757 1.00 0.00 O ATOM 0 H GLU A 39 1.812 -8.425 4.062 1.00 0.00 H new ATOM 0 HA GLU A 39 4.398 -8.296 5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.414 -10.053 6.224 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.206 -10.955 4.948 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.714 -11.655 6.465 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.327 -10.016 6.555 1.00 0.00 H new ATOM 582 N GLN A 40 5.520 -9.339 3.386 1.00 0.00 N ATOM 583 CA GLN A 40 6.133 -9.521 2.071 1.00 0.00 C ATOM 584 C GLN A 40 7.167 -10.650 2.136 1.00 0.00 C ATOM 585 O GLN A 40 8.194 -10.495 2.801 1.00 0.00 O ATOM 586 CB GLN A 40 6.754 -8.199 1.566 1.00 0.00 C ATOM 587 CG GLN A 40 5.755 -7.031 1.457 1.00 0.00 C ATOM 588 CD GLN A 40 6.421 -5.776 0.899 1.00 0.00 C ATOM 589 OE1 GLN A 40 7.146 -5.090 1.607 1.00 0.00 O ATOM 590 NE2 GLN A 40 6.218 -5.440 -0.366 1.00 0.00 N ATOM 0 H GLN A 40 6.182 -9.387 4.160 1.00 0.00 H new ATOM 0 HA GLN A 40 5.365 -9.805 1.352 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.561 -7.910 2.239 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.201 -8.372 0.587 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.924 -7.320 0.813 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.337 -6.816 2.440 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.613 -6.013 -0.955 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.666 -4.609 -0.751 1.00 0.00 H new ATOM 599 N GLN A 41 6.886 -11.780 1.486 1.00 0.00 N ATOM 600 CA GLN A 41 7.866 -12.777 1.055 1.00 0.00 C ATOM 601 C GLN A 41 8.442 -12.322 -0.299 1.00 0.00 C ATOM 602 O GLN A 41 8.093 -11.244 -0.797 1.00 0.00 O ATOM 603 CB GLN A 41 7.184 -14.160 0.936 1.00 0.00 C ATOM 604 CG GLN A 41 6.611 -14.693 2.262 1.00 0.00 C ATOM 605 CD GLN A 41 7.462 -15.766 2.953 1.00 0.00 C ATOM 606 OE1 GLN A 41 8.438 -16.282 2.415 1.00 0.00 O ATOM 607 NE2 GLN A 41 7.094 -16.161 4.157 1.00 0.00 N ATOM 0 H GLN A 41 5.931 -12.036 1.235 1.00 0.00 H new ATOM 0 HA GLN A 41 8.674 -12.868 1.781 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.379 -14.095 0.205 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.907 -14.878 0.550 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.483 -13.855 2.948 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.619 -15.104 2.072 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.284 -15.735 4.608 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.619 -16.892 4.637 1.00 0.00 H new ATOM 616 N GLU A 42 9.310 -13.141 -0.898 1.00 0.00 N ATOM 617 CA GLU A 42 10.075 -12.896 -2.121 1.00 0.00 C ATOM 618 C GLU A 42 9.219 -12.277 -3.229 1.00 0.00 C ATOM 619 O GLU A 42 9.535 -11.224 -3.787 1.00 0.00 O ATOM 620 CB GLU A 42 10.777 -14.205 -2.562 1.00 0.00 C ATOM 621 CG GLU A 42 9.877 -15.424 -2.881 1.00 0.00 C ATOM 622 CD GLU A 42 10.608 -16.667 -3.412 1.00 0.00 C ATOM 623 OE1 GLU A 42 11.749 -16.582 -3.912 1.00 0.00 O ATOM 624 OE2 GLU A 42 9.975 -17.752 -3.446 1.00 0.00 O ATOM 0 H GLU A 42 9.511 -14.063 -0.510 1.00 0.00 H new ATOM 0 HA GLU A 42 10.844 -12.153 -1.910 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.373 -13.986 -3.448 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.472 -14.496 -1.774 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.337 -15.701 -1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.132 -15.121 -3.617 1.00 0.00 H new ATOM 631 N ASN A 43 8.105 -12.937 -3.528 1.00 0.00 N ATOM 632 CA ASN A 43 7.242 -12.687 -4.673 1.00 0.00 C ATOM 633 C ASN A 43 5.777 -12.832 -4.283 1.00 0.00 C ATOM 634 O ASN A 43 4.913 -12.632 -5.132 1.00 0.00 O ATOM 635 CB ASN A 43 7.577 -13.677 -5.799 1.00 0.00 C ATOM 636 CG ASN A 43 8.950 -13.435 -6.417 1.00 0.00 C ATOM 637 OD1 ASN A 43 9.363 -12.298 -6.633 1.00 0.00 O ATOM 638 ND2 ASN A 43 9.688 -14.495 -6.700 1.00 0.00 N ATOM 0 H ASN A 43 7.763 -13.701 -2.946 1.00 0.00 H new ATOM 0 HA ASN A 43 7.411 -11.667 -5.020 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.536 -14.693 -5.406 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.817 -13.605 -6.577 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.617 -14.376 -7.105 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.328 -15.431 -6.514 1.00 0.00 H new ATOM 645 N TRP A 44 5.488 -13.170 -3.025 1.00 0.00 N ATOM 646 CA TRP A 44 4.140 -13.267 -2.494 1.00 0.00 C ATOM 647 C TRP A 44 4.042 -12.366 -1.288 1.00 0.00 C ATOM 648 O TRP A 44 4.954 -12.391 -0.472 1.00 0.00 O ATOM 649 CB TRP A 44 3.831 -14.701 -2.077 1.00 0.00 C ATOM 650 CG TRP A 44 3.561 -15.630 -3.217 1.00 0.00 C ATOM 651 CD1 TRP A 44 4.446 -16.127 -4.113 1.00 0.00 C ATOM 652 CD2 TRP A 44 2.263 -16.135 -3.621 1.00 0.00 C ATOM 653 NE1 TRP A 44 3.775 -16.917 -5.031 1.00 0.00 N ATOM 654 CE2 TRP A 44 2.417 -16.927 -4.789 1.00 0.00 C ATOM 655 CE3 TRP A 44 0.963 -15.969 -3.112 1.00 0.00 C ATOM 656 CZ2 TRP A 44 1.313 -17.504 -5.433 1.00 0.00 C ATOM 657 CZ3 TRP A 44 -0.148 -16.536 -3.748 1.00 0.00 C ATOM 658 CH2 TRP A 44 0.023 -17.299 -4.916 1.00 0.00 C ATOM 0 H TRP A 44 6.207 -13.388 -2.336 1.00 0.00 H new ATOM 0 HA TRP A 44 3.424 -12.968 -3.260 1.00 0.00 H new ATOM 0 HB2 TRP A 44 4.671 -15.088 -1.500 1.00 0.00 H new ATOM 0 HB3 TRP A 44 2.965 -14.696 -1.415 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.509 -15.937 -4.112 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.227 -17.427 -5.790 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.818 -15.392 -2.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.454 -18.102 -6.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.137 -16.387 -3.341 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.835 -17.726 -5.414 1.00 0.00 H new ATOM 669 N TRP A 45 2.966 -11.601 -1.130 1.00 0.00 N ATOM 670 CA TRP A 45 2.753 -10.694 -0.007 1.00 0.00 C ATOM 671 C TRP A 45 1.437 -11.081 0.638 1.00 0.00 C ATOM 672 O TRP A 45 0.540 -11.566 -0.048 1.00 0.00 O ATOM 673 CB TRP A 45 2.756 -9.224 -0.461 1.00 0.00 C ATOM 674 CG TRP A 45 3.955 -8.761 -1.239 1.00 0.00 C ATOM 675 CD1 TRP A 45 5.155 -9.375 -1.293 1.00 0.00 C ATOM 676 CD2 TRP A 45 4.092 -7.581 -2.078 1.00 0.00 C ATOM 677 NE1 TRP A 45 5.999 -8.711 -2.154 1.00 0.00 N ATOM 678 CE2 TRP A 45 5.393 -7.586 -2.665 1.00 0.00 C ATOM 679 CE3 TRP A 45 3.242 -6.506 -2.399 1.00 0.00 C ATOM 680 CZ2 TRP A 45 5.821 -6.587 -3.548 1.00 0.00 C ATOM 681 CZ3 TRP A 45 3.670 -5.476 -3.250 1.00 0.00 C ATOM 682 CH2 TRP A 45 4.957 -5.508 -3.817 1.00 0.00 C ATOM 0 H TRP A 45 2.196 -11.595 -1.799 1.00 0.00 H new ATOM 0 HA TRP A 45 3.566 -10.783 0.714 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.868 -9.054 -1.071 1.00 0.00 H new ATOM 0 HB3 TRP A 45 2.660 -8.594 0.424 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.417 -10.264 -0.738 1.00 0.00 H new ATOM 0 HE1 TRP A 45 6.946 -9.012 -2.383 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.245 -6.474 -1.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.794 -6.643 -4.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.007 -4.653 -3.471 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.283 -4.704 -4.460 1.00 0.00 H new ATOM 693 N PHE A 46 1.340 -10.912 1.945 1.00 0.00 N ATOM 694 CA PHE A 46 0.111 -11.050 2.691 1.00 0.00 C ATOM 695 C PHE A 46 -0.546 -9.682 2.669 1.00 0.00 C ATOM 696 O PHE A 46 0.145 -8.655 2.685 1.00 0.00 O ATOM 697 CB PHE A 46 0.463 -11.482 4.111 1.00 0.00 C ATOM 698 CG PHE A 46 -0.672 -11.850 5.043 1.00 0.00 C ATOM 699 CD1 PHE A 46 -1.394 -13.040 4.836 1.00 0.00 C ATOM 700 CD2 PHE A 46 -0.892 -11.096 6.213 1.00 0.00 C ATOM 701 CE1 PHE A 46 -2.337 -13.470 5.786 1.00 0.00 C ATOM 702 CE2 PHE A 46 -1.819 -11.536 7.171 1.00 0.00 C ATOM 703 CZ PHE A 46 -2.543 -12.723 6.959 1.00 0.00 C ATOM 0 H PHE A 46 2.140 -10.668 2.529 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.566 -11.795 2.274 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.131 -12.340 4.043 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.028 -10.674 4.576 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.223 -13.625 3.944 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.346 -10.178 6.373 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.903 -14.374 5.615 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.976 -10.962 8.072 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.256 -13.060 7.696 1.00 0.00 H new ATOM 713 N GLY A 47 -1.868 -9.647 2.654 1.00 0.00 N ATOM 714 CA GLY A 47 -2.623 -8.417 2.682 1.00 0.00 C ATOM 715 C GLY A 47 -4.070 -8.708 3.015 1.00 0.00 C ATOM 716 O GLY A 47 -4.419 -9.858 3.278 1.00 0.00 O ATOM 0 H GLY A 47 -2.449 -10.485 2.622 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.200 -7.737 3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.557 -7.917 1.716 1.00 0.00 H new ATOM 720 N GLU A 48 -4.890 -7.665 3.016 1.00 0.00 N ATOM 721 CA GLU A 48 -6.282 -7.690 3.397 1.00 0.00 C ATOM 722 C GLU A 48 -7.104 -6.823 2.454 1.00 0.00 C ATOM 723 O GLU A 48 -6.752 -5.664 2.214 1.00 0.00 O ATOM 724 CB GLU A 48 -6.415 -7.200 4.843 1.00 0.00 C ATOM 725 CG GLU A 48 -7.878 -7.168 5.286 1.00 0.00 C ATOM 726 CD GLU A 48 -8.025 -7.060 6.795 1.00 0.00 C ATOM 727 OE1 GLU A 48 -7.699 -5.999 7.365 1.00 0.00 O ATOM 728 OE2 GLU A 48 -8.539 -8.007 7.440 1.00 0.00 O ATOM 0 H GLU A 48 -4.579 -6.735 2.736 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.662 -8.710 3.330 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.847 -7.854 5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.984 -6.203 4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.379 -6.323 4.814 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.380 -8.071 4.939 1.00 0.00 H new ATOM 735 N VAL A 49 -8.219 -7.356 1.957 1.00 0.00 N ATOM 736 CA VAL A 49 -9.236 -6.570 1.255 1.00 0.00 C ATOM 737 C VAL A 49 -10.613 -7.157 1.568 1.00 0.00 C ATOM 738 O VAL A 49 -10.744 -8.369 1.747 1.00 0.00 O ATOM 739 CB VAL A 49 -8.874 -6.465 -0.245 1.00 0.00 C ATOM 740 CG1 VAL A 49 -8.654 -7.813 -0.923 1.00 0.00 C ATOM 741 CG2 VAL A 49 -9.820 -5.625 -1.101 1.00 0.00 C ATOM 0 H VAL A 49 -8.445 -8.348 2.029 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.270 -5.537 1.601 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.927 -5.928 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.404 -7.656 -1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.836 -8.339 -0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -9.564 -8.409 -0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.470 -5.621 -2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.823 -6.050 -1.060 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.843 -4.603 -0.722 1.00 0.00 H new ATOM 751 N HIS A 50 -11.619 -6.287 1.696 1.00 0.00 N ATOM 752 CA HIS A 50 -12.963 -6.582 2.201 1.00 0.00 C ATOM 753 C HIS A 50 -12.945 -7.278 3.568 1.00 0.00 C ATOM 754 O HIS A 50 -13.825 -8.080 3.888 1.00 0.00 O ATOM 755 CB HIS A 50 -13.791 -7.327 1.143 1.00 0.00 C ATOM 756 CG HIS A 50 -13.704 -6.710 -0.229 1.00 0.00 C ATOM 757 ND1 HIS A 50 -13.885 -5.383 -0.559 1.00 0.00 N ATOM 758 CD2 HIS A 50 -13.347 -7.374 -1.365 1.00 0.00 C ATOM 759 CE1 HIS A 50 -13.641 -5.255 -1.875 1.00 0.00 C ATOM 760 NE2 HIS A 50 -13.304 -6.444 -2.404 1.00 0.00 N ATOM 0 H HIS A 50 -11.512 -5.306 1.436 1.00 0.00 H new ATOM 0 HA HIS A 50 -13.465 -5.632 2.384 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -13.452 -8.362 1.090 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -14.834 -7.349 1.458 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.136 -8.430 -1.446 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.706 -4.330 -2.428 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -13.063 -6.630 -3.378 1.00 0.00 H new ATOM 768 N GLY A 51 -11.935 -6.990 4.393 1.00 0.00 N ATOM 769 CA GLY A 51 -11.745 -7.654 5.674 1.00 0.00 C ATOM 770 C GLY A 51 -11.333 -9.124 5.542 1.00 0.00 C ATOM 771 O GLY A 51 -11.365 -9.837 6.547 1.00 0.00 O ATOM 0 H GLY A 51 -11.226 -6.286 4.185 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.983 -7.120 6.242 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.670 -7.594 6.247 1.00 0.00 H new ATOM 775 N GLY A 52 -10.934 -9.585 4.353 1.00 0.00 N ATOM 776 CA GLY A 52 -10.374 -10.902 4.105 1.00 0.00 C ATOM 777 C GLY A 52 -8.862 -10.781 3.998 1.00 0.00 C ATOM 778 O GLY A 52 -8.378 -10.120 3.086 1.00 0.00 O ATOM 0 H GLY A 52 -10.998 -9.021 3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.642 -11.584 4.912 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.785 -11.320 3.186 1.00 0.00 H new ATOM 782 N ARG A 53 -8.116 -11.346 4.952 1.00 0.00 N ATOM 783 CA ARG A 53 -6.653 -11.461 4.931 1.00 0.00 C ATOM 784 C ARG A 53 -6.229 -12.727 4.177 1.00 0.00 C ATOM 785 O ARG A 53 -6.916 -13.742 4.299 1.00 0.00 O ATOM 786 CB ARG A 53 -6.079 -11.484 6.369 1.00 0.00 C ATOM 787 CG ARG A 53 -5.666 -10.091 6.846 1.00 0.00 C ATOM 788 CD ARG A 53 -4.953 -10.014 8.204 1.00 0.00 C ATOM 789 NE ARG A 53 -5.857 -10.162 9.354 1.00 0.00 N ATOM 790 CZ ARG A 53 -5.711 -9.582 10.555 1.00 0.00 C ATOM 791 NH1 ARG A 53 -4.774 -8.671 10.806 1.00 0.00 N ATOM 792 NH2 ARG A 53 -6.531 -9.919 11.539 1.00 0.00 N ATOM 0 H ARG A 53 -8.529 -11.751 5.792 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.253 -10.589 4.415 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.825 -11.894 7.050 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.216 -12.149 6.404 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.012 -9.652 6.092 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.559 -9.468 6.894 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.191 -10.792 8.249 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.436 -9.057 8.280 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.672 -10.762 9.227 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.129 -8.387 10.069 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.701 -8.257 11.735 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.262 -10.612 11.379 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.431 -9.486 12.457 1.00 0.00 H new ATOM 806 N GLY A 54 -5.078 -12.699 3.494 1.00 0.00 N ATOM 807 CA GLY A 54 -4.476 -13.847 2.816 1.00 0.00 C ATOM 808 C GLY A 54 -3.251 -13.454 1.982 1.00 0.00 C ATOM 809 O GLY A 54 -2.906 -12.274 1.907 1.00 0.00 O ATOM 0 H GLY A 54 -4.524 -11.848 3.397 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.185 -14.592 3.557 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.218 -14.314 2.169 1.00 0.00 H new ATOM 813 N TRP A 55 -2.578 -14.424 1.345 1.00 0.00 N ATOM 814 CA TRP A 55 -1.395 -14.188 0.505 1.00 0.00 C ATOM 815 C TRP A 55 -1.745 -13.942 -0.961 1.00 0.00 C ATOM 816 O TRP A 55 -2.765 -14.425 -1.457 1.00 0.00 O ATOM 817 CB TRP A 55 -0.435 -15.382 0.583 1.00 0.00 C ATOM 818 CG TRP A 55 0.268 -15.513 1.885 1.00 0.00 C ATOM 819 CD1 TRP A 55 -0.153 -16.190 2.974 1.00 0.00 C ATOM 820 CD2 TRP A 55 1.502 -14.854 2.265 1.00 0.00 C ATOM 821 NE1 TRP A 55 0.774 -16.044 3.987 1.00 0.00 N ATOM 822 CE2 TRP A 55 1.784 -15.175 3.623 1.00 0.00 C ATOM 823 CE3 TRP A 55 2.393 -13.984 1.605 1.00 0.00 C ATOM 824 CZ2 TRP A 55 2.882 -14.623 4.298 1.00 0.00 C ATOM 825 CZ3 TRP A 55 3.455 -13.407 2.279 1.00 0.00 C ATOM 826 CH2 TRP A 55 3.718 -13.713 3.628 1.00 0.00 C ATOM 0 H TRP A 55 -2.844 -15.407 1.400 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.922 -13.287 0.896 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -0.995 -16.297 0.391 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.307 -15.290 -0.210 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -1.070 -16.756 3.042 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.720 -16.517 4.889 1.00 0.00 H new ATOM 0 HE3 TRP A 55 2.245 -13.764 0.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.084 -14.895 5.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 4.095 -12.708 1.760 1.00 0.00 H new ATOM 0 HH2 TRP A 55 4.551 -13.255 4.141 1.00 0.00 H new ATOM 837 N PHE A 56 -0.852 -13.284 -1.705 1.00 0.00 N ATOM 838 CA PHE A 56 -1.044 -13.114 -3.154 1.00 0.00 C ATOM 839 C PHE A 56 0.294 -12.890 -3.860 1.00 0.00 C ATOM 840 O PHE A 56 1.191 -12.321 -3.235 1.00 0.00 O ATOM 841 CB PHE A 56 -2.003 -11.947 -3.446 1.00 0.00 C ATOM 842 CG PHE A 56 -1.572 -10.624 -2.852 1.00 0.00 C ATOM 843 CD1 PHE A 56 -1.931 -10.297 -1.533 1.00 0.00 C ATOM 844 CD2 PHE A 56 -0.764 -9.744 -3.595 1.00 0.00 C ATOM 845 CE1 PHE A 56 -1.454 -9.116 -0.948 1.00 0.00 C ATOM 846 CE2 PHE A 56 -0.281 -8.568 -3.001 1.00 0.00 C ATOM 847 CZ PHE A 56 -0.615 -8.260 -1.673 1.00 0.00 C ATOM 0 H PHE A 56 0.002 -12.864 -1.337 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.488 -14.031 -3.541 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.100 -11.833 -4.526 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.991 -12.200 -3.062 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.575 -10.956 -0.970 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.516 -9.973 -4.621 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.734 -8.865 0.064 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.349 -7.898 -3.567 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.226 -7.365 -1.211 1.00 0.00 H new ATOM 857 N PRO A 57 0.458 -13.293 -5.134 1.00 0.00 N ATOM 858 CA PRO A 57 1.673 -13.034 -5.898 1.00 0.00 C ATOM 859 C PRO A 57 1.759 -11.551 -6.272 1.00 0.00 C ATOM 860 O PRO A 57 0.818 -11.009 -6.854 1.00 0.00 O ATOM 861 CB PRO A 57 1.594 -13.905 -7.157 1.00 0.00 C ATOM 862 CG PRO A 57 0.196 -14.529 -7.162 1.00 0.00 C ATOM 863 CD PRO A 57 -0.538 -13.956 -5.959 1.00 0.00 C ATOM 0 HA PRO A 57 2.563 -13.273 -5.316 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.756 -13.307 -8.054 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.364 -14.676 -7.145 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.331 -14.293 -8.086 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.256 -15.615 -7.098 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.308 -13.252 -6.275 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.039 -14.746 -5.400 1.00 0.00 H new ATOM 871 N LYS A 58 2.893 -10.894 -6.025 1.00 0.00 N ATOM 872 CA LYS A 58 3.032 -9.452 -6.274 1.00 0.00 C ATOM 873 C LYS A 58 3.013 -9.139 -7.762 1.00 0.00 C ATOM 874 O LYS A 58 2.837 -7.986 -8.160 1.00 0.00 O ATOM 875 CB LYS A 58 4.304 -8.893 -5.605 1.00 0.00 C ATOM 876 CG LYS A 58 5.508 -8.961 -6.543 1.00 0.00 C ATOM 877 CD LYS A 58 6.852 -8.646 -5.886 1.00 0.00 C ATOM 878 CE LYS A 58 7.948 -9.207 -6.776 1.00 0.00 C ATOM 879 NZ LYS A 58 9.211 -9.535 -6.077 1.00 0.00 N ATOM 0 H LYS A 58 3.733 -11.336 -5.652 1.00 0.00 H new ATOM 0 HA LYS A 58 2.171 -8.957 -5.824 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.134 -7.859 -5.305 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.517 -9.458 -4.697 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.557 -9.960 -6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.350 -8.264 -7.366 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.974 -7.570 -5.763 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.904 -9.089 -4.891 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.575 -10.108 -7.263 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.162 -8.484 -7.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.981 -8.950 -6.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.104 -9.346 -5.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.436 -10.540 -6.220 1.00 0.00 H new ATOM 893 N SER A 59 3.240 -10.157 -8.588 1.00 0.00 N ATOM 894 CA SER A 59 3.258 -10.037 -10.021 1.00 0.00 C ATOM 895 C SER A 59 1.898 -9.493 -10.504 1.00 0.00 C ATOM 896 O SER A 59 1.829 -8.788 -11.512 1.00 0.00 O ATOM 897 CB SER A 59 3.620 -11.437 -10.524 1.00 0.00 C ATOM 898 OG SER A 59 3.471 -11.603 -11.908 1.00 0.00 O ATOM 0 H SER A 59 3.419 -11.106 -8.259 1.00 0.00 H new ATOM 0 HA SER A 59 3.984 -9.325 -10.413 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.653 -11.654 -10.252 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.995 -12.169 -10.012 1.00 0.00 H new ATOM 0 HG SER A 59 3.721 -12.517 -12.157 1.00 0.00 H new ATOM 904 N TYR A 60 0.830 -9.755 -9.739 1.00 0.00 N ATOM 905 CA TYR A 60 -0.557 -9.450 -10.047 1.00 0.00 C ATOM 906 C TYR A 60 -0.983 -8.034 -9.634 1.00 0.00 C ATOM 907 O TYR A 60 -2.164 -7.712 -9.793 1.00 0.00 O ATOM 908 CB TYR A 60 -1.434 -10.489 -9.321 1.00 0.00 C ATOM 909 CG TYR A 60 -1.476 -11.872 -9.941 1.00 0.00 C ATOM 910 CD1 TYR A 60 -0.297 -12.618 -10.126 1.00 0.00 C ATOM 911 CD2 TYR A 60 -2.713 -12.439 -10.299 1.00 0.00 C ATOM 912 CE1 TYR A 60 -0.348 -13.933 -10.605 1.00 0.00 C ATOM 913 CE2 TYR A 60 -2.770 -13.738 -10.828 1.00 0.00 C ATOM 914 CZ TYR A 60 -1.596 -14.521 -10.922 1.00 0.00 C ATOM 915 OH TYR A 60 -1.677 -15.839 -11.263 1.00 0.00 O ATOM 0 H TYR A 60 0.927 -10.215 -8.834 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.680 -9.494 -11.129 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.078 -10.583 -8.295 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.452 -10.104 -9.271 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.659 -12.171 -9.896 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.623 -11.872 -10.166 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.564 -14.498 -10.732 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.714 -14.141 -11.164 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.611 -16.072 -11.447 1.00 0.00 H new ATOM 925 N VAL A 61 -0.098 -7.210 -9.060 1.00 0.00 N ATOM 926 CA VAL A 61 -0.479 -5.953 -8.410 1.00 0.00 C ATOM 927 C VAL A 61 0.481 -4.828 -8.809 1.00 0.00 C ATOM 928 O VAL A 61 1.519 -5.077 -9.435 1.00 0.00 O ATOM 929 CB VAL A 61 -0.576 -6.143 -6.873 1.00 0.00 C ATOM 930 CG1 VAL A 61 -1.322 -7.432 -6.483 1.00 0.00 C ATOM 931 CG2 VAL A 61 0.797 -6.149 -6.161 1.00 0.00 C ATOM 0 H VAL A 61 0.904 -7.398 -9.034 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.470 -5.658 -8.754 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.140 -5.273 -6.538 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.361 -7.515 -5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.336 -7.400 -6.881 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.798 -8.294 -6.895 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.651 -6.286 -5.090 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.406 -6.965 -6.551 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.304 -5.201 -6.340 1.00 0.00 H new ATOM 941 N LYS A 62 0.199 -3.591 -8.399 1.00 0.00 N ATOM 942 CA LYS A 62 1.210 -2.543 -8.307 1.00 0.00 C ATOM 943 C LYS A 62 1.085 -1.844 -6.962 1.00 0.00 C ATOM 944 O LYS A 62 -0.028 -1.586 -6.507 1.00 0.00 O ATOM 945 CB LYS A 62 1.110 -1.554 -9.478 1.00 0.00 C ATOM 946 CG LYS A 62 -0.201 -0.745 -9.579 1.00 0.00 C ATOM 947 CD LYS A 62 -0.008 0.452 -10.520 1.00 0.00 C ATOM 948 CE LYS A 62 0.751 1.577 -9.807 1.00 0.00 C ATOM 949 NZ LYS A 62 -0.158 2.524 -9.134 1.00 0.00 N ATOM 0 H LYS A 62 -0.735 -3.290 -8.122 1.00 0.00 H new ATOM 0 HA LYS A 62 2.199 -2.996 -8.376 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.941 -0.852 -9.405 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.242 -2.109 -10.407 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.004 -1.383 -9.949 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.500 -0.396 -8.590 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.542 0.140 -11.408 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.978 0.817 -10.858 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.431 1.145 -9.073 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.363 2.115 -10.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.399 3.267 -8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.791 2.957 -9.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.724 2.017 -8.424 1.00 0.00 H new ATOM 963 N ILE A 63 2.216 -1.525 -6.341 1.00 0.00 N ATOM 964 CA ILE A 63 2.278 -0.651 -5.177 1.00 0.00 C ATOM 965 C ILE A 63 1.788 0.742 -5.580 1.00 0.00 C ATOM 966 O ILE A 63 1.815 1.115 -6.759 1.00 0.00 O ATOM 967 CB ILE A 63 3.716 -0.674 -4.612 1.00 0.00 C ATOM 968 CG1 ILE A 63 3.885 -1.952 -3.766 1.00 0.00 C ATOM 969 CG2 ILE A 63 4.131 0.613 -3.875 1.00 0.00 C ATOM 970 CD1 ILE A 63 5.116 -1.985 -2.850 1.00 0.00 C ATOM 0 H ILE A 63 3.128 -1.872 -6.637 1.00 0.00 H new ATOM 0 HA ILE A 63 1.624 -0.991 -4.374 1.00 0.00 H new ATOM 0 HB ILE A 63 4.414 -0.702 -5.449 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.994 -2.079 -3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.933 -2.808 -4.439 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.153 0.511 -3.511 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.072 1.459 -4.559 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.461 0.781 -3.032 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.137 -2.927 -2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.020 -1.896 -3.452 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.067 -1.156 -2.144 1.00 0.00 H new ATOM 982 N ILE A 64 1.282 1.480 -4.594 1.00 0.00 N ATOM 983 CA ILE A 64 0.718 2.809 -4.749 1.00 0.00 C ATOM 984 C ILE A 64 1.375 3.726 -3.708 1.00 0.00 C ATOM 985 O ILE A 64 1.653 3.262 -2.600 1.00 0.00 O ATOM 986 CB ILE A 64 -0.815 2.792 -4.552 1.00 0.00 C ATOM 987 CG1 ILE A 64 -1.475 1.425 -4.765 1.00 0.00 C ATOM 988 CG2 ILE A 64 -1.473 3.780 -5.519 1.00 0.00 C ATOM 989 CD1 ILE A 64 -2.919 1.460 -4.296 1.00 0.00 C ATOM 0 H ILE A 64 1.255 1.151 -3.629 1.00 0.00 H new ATOM 0 HA ILE A 64 0.912 3.173 -5.758 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.968 3.066 -3.508 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.434 1.154 -5.820 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.926 0.659 -4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.553 3.764 -5.376 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.096 4.784 -5.325 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.239 3.496 -6.545 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.376 0.483 -4.453 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.951 1.710 -3.235 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.467 2.212 -4.863 1.00 0.00 H new ATOM 1001 N PRO A 65 1.622 5.004 -4.035 1.00 0.00 N ATOM 1002 CA PRO A 65 2.240 5.949 -3.124 1.00 0.00 C ATOM 1003 C PRO A 65 1.251 6.484 -2.092 1.00 0.00 C ATOM 1004 O PRO A 65 1.462 6.351 -0.886 1.00 0.00 O ATOM 1005 CB PRO A 65 2.862 7.042 -4.000 1.00 0.00 C ATOM 1006 CG PRO A 65 2.095 6.965 -5.322 1.00 0.00 C ATOM 1007 CD PRO A 65 1.490 5.563 -5.361 1.00 0.00 C ATOM 0 HA PRO A 65 3.012 5.473 -2.519 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.759 8.025 -3.539 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.928 6.870 -4.150 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.319 7.729 -5.371 1.00 0.00 H new ATOM 0 HG3 PRO A 65 2.758 7.130 -6.171 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.442 5.604 -5.659 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.005 4.942 -6.094 1.00 0.00 H new ATOM 1015 N GLY A 66 0.158 7.078 -2.561 1.00 0.00 N ATOM 1016 CA GLY A 66 -0.919 7.569 -1.718 1.00 0.00 C ATOM 1017 C GLY A 66 -1.976 8.303 -2.526 1.00 0.00 C ATOM 1018 O GLY A 66 -1.670 8.879 -3.577 1.00 0.00 O ATOM 0 H GLY A 66 -0.004 7.233 -3.556 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.379 6.733 -1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.511 8.238 -0.960 1.00 0.00 H new ATOM 1022 N SER A 67 -3.213 8.287 -2.027 1.00 0.00 N ATOM 1023 CA SER A 67 -4.413 8.646 -2.777 1.00 0.00 C ATOM 1024 C SER A 67 -5.449 9.361 -1.900 1.00 0.00 C ATOM 1025 O SER A 67 -6.656 9.158 -2.064 1.00 0.00 O ATOM 1026 CB SER A 67 -5.040 7.384 -3.377 1.00 0.00 C ATOM 1027 OG SER A 67 -4.205 6.716 -4.301 1.00 0.00 O ATOM 0 H SER A 67 -3.411 8.016 -1.064 1.00 0.00 H new ATOM 0 HA SER A 67 -4.114 9.334 -3.568 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.295 6.697 -2.570 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.972 7.653 -3.873 1.00 0.00 H new ATOM 0 HG SER A 67 -4.665 5.921 -4.643 1.00 0.00 H new ATOM 1033 N GLU A 68 -5.016 10.182 -0.954 1.00 0.00 N ATOM 1034 CA GLU A 68 -5.915 10.844 -0.019 1.00 0.00 C ATOM 1035 C GLU A 68 -5.428 12.277 0.199 1.00 0.00 C ATOM 1036 O GLU A 68 -4.393 12.490 0.827 1.00 0.00 O ATOM 1037 CB GLU A 68 -6.019 9.975 1.246 1.00 0.00 C ATOM 1038 CG GLU A 68 -7.241 10.327 2.094 1.00 0.00 C ATOM 1039 CD GLU A 68 -6.942 11.443 3.085 1.00 0.00 C ATOM 1040 OE1 GLU A 68 -6.533 11.144 4.233 1.00 0.00 O ATOM 1041 OE2 GLU A 68 -7.142 12.622 2.735 1.00 0.00 O ATOM 0 H GLU A 68 -4.031 10.408 -0.813 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.933 10.941 -0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.069 8.925 0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.116 10.099 1.844 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.060 10.630 1.442 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.575 9.441 2.635 1.00 0.00 H new ATOM 1048 N SER A 69 -6.106 13.247 -0.421 1.00 0.00 N ATOM 1049 CA SER A 69 -5.814 14.670 -0.309 1.00 0.00 C ATOM 1050 C SER A 69 -6.312 15.202 1.036 1.00 0.00 C ATOM 1051 O SER A 69 -7.521 15.358 1.217 1.00 0.00 O ATOM 1052 CB SER A 69 -6.504 15.421 -1.453 1.00 0.00 C ATOM 1053 OG SER A 69 -5.989 14.997 -2.704 1.00 0.00 O ATOM 0 H SER A 69 -6.898 13.052 -1.033 1.00 0.00 H new ATOM 0 HA SER A 69 -4.737 14.823 -0.371 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.579 15.244 -1.416 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.353 16.494 -1.335 1.00 0.00 H new ATOM 0 HG SER A 69 -6.440 15.484 -3.425 1.00 0.00 H new ATOM 1059 N GLY A 70 -5.393 15.509 1.954 1.00 0.00 N ATOM 1060 CA GLY A 70 -5.716 16.143 3.228 1.00 0.00 C ATOM 1061 C GLY A 70 -6.355 17.530 3.071 1.00 0.00 C ATOM 1062 O GLY A 70 -6.545 18.009 1.950 1.00 0.00 O ATOM 0 H GLY A 70 -4.398 15.322 1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.396 15.498 3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.806 16.235 3.821 1.00 0.00 H new ATOM 1066 N PRO A 71 -6.704 18.193 4.189 1.00 0.00 N ATOM 1067 CA PRO A 71 -7.459 19.439 4.175 1.00 0.00 C ATOM 1068 C PRO A 71 -6.671 20.522 3.443 1.00 0.00 C ATOM 1069 O PRO A 71 -7.135 21.044 2.427 1.00 0.00 O ATOM 1070 CB PRO A 71 -7.771 19.758 5.643 1.00 0.00 C ATOM 1071 CG PRO A 71 -6.706 18.993 6.431 1.00 0.00 C ATOM 1072 CD PRO A 71 -6.420 17.777 5.553 1.00 0.00 C ATOM 0 HA PRO A 71 -8.398 19.369 3.625 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -7.717 20.829 5.837 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.776 19.435 5.915 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.811 19.596 6.586 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.068 18.701 7.417 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.383 17.457 5.656 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.045 16.932 5.841 1.00 0.00 H new ATOM 1080 N SER A 72 -5.465 20.822 3.922 1.00 0.00 N ATOM 1081 CA SER A 72 -4.476 21.619 3.228 1.00 0.00 C ATOM 1082 C SER A 72 -3.137 21.186 3.817 1.00 0.00 C ATOM 1083 O SER A 72 -2.917 21.332 5.021 1.00 0.00 O ATOM 1084 CB SER A 72 -4.774 23.111 3.436 1.00 0.00 C ATOM 1085 OG SER A 72 -4.453 23.853 2.275 1.00 0.00 O ATOM 0 H SER A 72 -5.146 20.502 4.837 1.00 0.00 H new ATOM 0 HA SER A 72 -4.476 21.471 2.148 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.828 23.246 3.680 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.201 23.487 4.283 1.00 0.00 H new ATOM 0 HG SER A 72 -4.652 24.801 2.427 1.00 0.00 H new ATOM 1091 N SER A 73 -2.300 20.539 3.012 1.00 0.00 N ATOM 1092 CA SER A 73 -1.028 19.981 3.451 1.00 0.00 C ATOM 1093 C SER A 73 -0.007 21.074 3.785 1.00 0.00 C ATOM 1094 O SER A 73 -0.039 22.173 3.217 1.00 0.00 O ATOM 1095 CB SER A 73 -0.532 19.007 2.381 1.00 0.00 C ATOM 1096 OG SER A 73 -1.520 17.998 2.217 1.00 0.00 O ATOM 0 H SER A 73 -2.490 20.386 2.022 1.00 0.00 H new ATOM 0 HA SER A 73 -1.168 19.434 4.383 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.360 19.529 1.440 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.419 18.565 2.679 1.00 0.00 H new ATOM 0 HG SER A 73 -1.226 17.360 1.533 1.00 0.00 H new ATOM 1102 N GLY A 74 0.907 20.750 4.699 1.00 0.00 N ATOM 1103 CA GLY A 74 1.835 21.649 5.365 1.00 0.00 C ATOM 1104 C GLY A 74 2.287 20.992 6.657 1.00 0.00 C ATOM 1105 O GLY A 74 1.445 20.335 7.307 1.00 0.00 O ATOM 0 H GLY A 74 1.022 19.786 5.011 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.692 21.855 4.723 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.355 22.605 5.572 1.00 0.00 H new TER 1109 GLY A 74