USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 744 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 75 THR OG1 : rot 180:sc= 0.745 USER MOD Set 1.2: A 78 GLN : amide:sc= -1.29! K(o=-0.54!,f=1.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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= -0.0449 USER MOD Single : A 8 GLN : amide:sc= -5.39! C(o=-5.4!,f=-4.3!) USER MOD Single : A 10 SER OG : rot 108:sc= 0.0734 USER MOD Single : A 12 HIS : no HD1:sc= -1.72 K(o=-1.7,f=-0.17) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 2:sc= 0.852 USER MOD Single : A 47 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00931) USER MOD Single : A 52 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.5) USER MOD Single : A 54 CYS SG : rot 180:sc= -0.264 USER MOD Single : A 65 HIS : no HD1:sc= -2.06 K(o=-2.1,f=-4.3!) USER MOD Single : A 67 ASN : amide:sc= -0.0987 K(o=-0.099,f=-0.62) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -47:sc= 0.202 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 91 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-2.6!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.301 4.272 -10.543 1.00 0.00 N ATOM 2 CA GLY A 1 -20.753 3.480 -11.628 1.00 0.00 C ATOM 3 C GLY A 1 -21.289 2.062 -11.638 1.00 0.00 C ATOM 4 O GLY A 1 -22.442 1.830 -12.002 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.904 5.233 -10.579 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.336 4.321 -10.637 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.057 3.831 -9.633 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.986 3.960 -12.578 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.667 3.454 -11.542 1.00 0.00 H new ATOM 8 N SER A 2 -20.451 1.111 -11.239 1.00 0.00 N ATOM 9 CA SER A 2 -20.846 -0.293 -11.209 1.00 0.00 C ATOM 10 C SER A 2 -20.175 -1.021 -10.049 1.00 0.00 C ATOM 11 O SER A 2 -19.060 -0.683 -9.650 1.00 0.00 O ATOM 12 CB SER A 2 -20.485 -0.974 -12.531 1.00 0.00 C ATOM 13 OG SER A 2 -21.310 -2.102 -12.765 1.00 0.00 O ATOM 0 H SER A 2 -19.494 1.287 -10.932 1.00 0.00 H new ATOM 0 HA SER A 2 -21.926 -0.339 -11.068 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.593 -0.264 -13.351 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.440 -1.282 -12.512 1.00 0.00 H new ATOM 0 HG SER A 2 -21.061 -2.519 -13.616 1.00 0.00 H new ATOM 19 N SER A 3 -20.862 -2.023 -9.510 1.00 0.00 N ATOM 20 CA SER A 3 -20.336 -2.797 -8.392 1.00 0.00 C ATOM 21 C SER A 3 -19.078 -3.557 -8.802 1.00 0.00 C ATOM 22 O SER A 3 -18.049 -3.484 -8.133 1.00 0.00 O ATOM 23 CB SER A 3 -21.394 -3.777 -7.880 1.00 0.00 C ATOM 24 OG SER A 3 -21.094 -4.209 -6.564 1.00 0.00 O ATOM 0 H SER A 3 -21.785 -2.318 -9.830 1.00 0.00 H new ATOM 0 HA SER A 3 -20.076 -2.104 -7.592 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.374 -3.300 -7.895 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.449 -4.639 -8.545 1.00 0.00 H new ATOM 0 HG SER A 3 -21.785 -4.833 -6.259 1.00 0.00 H new ATOM 30 N GLY A 4 -19.171 -4.289 -9.909 1.00 0.00 N ATOM 31 CA GLY A 4 -18.035 -5.052 -10.391 1.00 0.00 C ATOM 32 C GLY A 4 -17.987 -6.451 -9.807 1.00 0.00 C ATOM 33 O GLY A 4 -18.883 -6.852 -9.065 1.00 0.00 O ATOM 0 H GLY A 4 -20.013 -4.367 -10.480 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.079 -5.117 -11.478 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.114 -4.525 -10.140 1.00 0.00 H new ATOM 37 N SER A 5 -16.939 -7.196 -10.145 1.00 0.00 N ATOM 38 CA SER A 5 -16.781 -8.559 -9.654 1.00 0.00 C ATOM 39 C SER A 5 -15.305 -8.904 -9.475 1.00 0.00 C ATOM 40 O SER A 5 -14.485 -8.647 -10.355 1.00 0.00 O ATOM 41 CB SER A 5 -17.434 -9.551 -10.619 1.00 0.00 C ATOM 42 OG SER A 5 -18.828 -9.317 -10.723 1.00 0.00 O ATOM 0 H SER A 5 -16.187 -6.878 -10.757 1.00 0.00 H new ATOM 0 HA SER A 5 -17.274 -8.629 -8.684 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.973 -9.464 -11.603 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.258 -10.570 -10.273 1.00 0.00 H new ATOM 0 HG SER A 5 -19.222 -9.962 -11.346 1.00 0.00 H new ATOM 48 N SER A 6 -14.976 -9.489 -8.327 1.00 0.00 N ATOM 49 CA SER A 6 -13.600 -9.866 -8.029 1.00 0.00 C ATOM 50 C SER A 6 -13.440 -11.384 -8.028 1.00 0.00 C ATOM 51 O SER A 6 -14.423 -12.122 -7.980 1.00 0.00 O ATOM 52 CB SER A 6 -13.174 -9.296 -6.675 1.00 0.00 C ATOM 53 OG SER A 6 -11.787 -9.487 -6.454 1.00 0.00 O ATOM 0 H SER A 6 -15.644 -9.712 -7.589 1.00 0.00 H new ATOM 0 HA SER A 6 -12.959 -9.451 -8.807 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.409 -8.232 -6.635 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.742 -9.778 -5.879 1.00 0.00 H new ATOM 0 HG SER A 6 -11.540 -9.112 -5.583 1.00 0.00 H new ATOM 59 N GLY A 7 -12.193 -11.842 -8.081 1.00 0.00 N ATOM 60 CA GLY A 7 -11.927 -13.268 -8.085 1.00 0.00 C ATOM 61 C GLY A 7 -11.631 -13.807 -6.699 1.00 0.00 C ATOM 62 O GLY A 7 -11.689 -13.070 -5.715 1.00 0.00 O ATOM 0 H GLY A 7 -11.363 -11.251 -8.121 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.787 -13.794 -8.500 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.081 -13.475 -8.740 1.00 0.00 H new ATOM 66 N GLN A 8 -11.315 -15.095 -6.621 1.00 0.00 N ATOM 67 CA GLN A 8 -11.011 -15.732 -5.345 1.00 0.00 C ATOM 68 C GLN A 8 -9.509 -15.740 -5.084 1.00 0.00 C ATOM 69 O GLN A 8 -9.054 -15.364 -4.004 1.00 0.00 O ATOM 70 CB GLN A 8 -11.553 -17.162 -5.323 1.00 0.00 C ATOM 71 CG GLN A 8 -11.104 -17.964 -4.112 1.00 0.00 C ATOM 72 CD GLN A 8 -9.670 -18.442 -4.227 1.00 0.00 C ATOM 73 OE1 GLN A 8 -9.375 -19.384 -4.963 1.00 0.00 O ATOM 74 NE2 GLN A 8 -8.769 -17.793 -3.500 1.00 0.00 N ATOM 0 H GLN A 8 -11.263 -15.719 -7.427 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.494 -15.156 -4.556 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.642 -17.129 -5.343 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.233 -17.677 -6.229 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.208 -17.351 -3.216 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.761 -18.825 -3.987 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.058 -17.018 -2.903 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.788 -18.070 -3.538 1.00 0.00 H new ATOM 83 N ALA A 9 -8.743 -16.171 -6.081 1.00 0.00 N ATOM 84 CA ALA A 9 -7.291 -16.227 -5.959 1.00 0.00 C ATOM 85 C ALA A 9 -6.658 -14.889 -6.327 1.00 0.00 C ATOM 86 O ALA A 9 -5.623 -14.843 -6.992 1.00 0.00 O ATOM 87 CB ALA A 9 -6.730 -17.337 -6.836 1.00 0.00 C ATOM 0 H ALA A 9 -9.103 -16.486 -6.982 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.046 -16.442 -4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.645 -17.367 -6.735 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.150 -18.294 -6.525 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.992 -17.146 -7.877 1.00 0.00 H new ATOM 93 N SER A 10 -7.286 -13.802 -5.889 1.00 0.00 N ATOM 94 CA SER A 10 -6.786 -12.463 -6.176 1.00 0.00 C ATOM 95 C SER A 10 -5.293 -12.364 -5.876 1.00 0.00 C ATOM 96 O SER A 10 -4.547 -11.701 -6.594 1.00 0.00 O ATOM 97 CB SER A 10 -7.553 -11.423 -5.356 1.00 0.00 C ATOM 98 OG SER A 10 -7.350 -11.619 -3.967 1.00 0.00 O ATOM 0 H SER A 10 -8.142 -13.823 -5.334 1.00 0.00 H new ATOM 0 HA SER A 10 -6.939 -12.264 -7.237 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.227 -10.421 -5.637 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.617 -11.488 -5.584 1.00 0.00 H new ATOM 0 HG SER A 10 -6.777 -10.906 -3.616 1.00 0.00 H new ATOM 104 N GLY A 11 -4.866 -13.030 -4.807 1.00 0.00 N ATOM 105 CA GLY A 11 -3.465 -13.006 -4.429 1.00 0.00 C ATOM 106 C GLY A 11 -3.123 -11.820 -3.549 1.00 0.00 C ATOM 107 O GLY A 11 -2.441 -11.967 -2.535 1.00 0.00 O ATOM 0 H GLY A 11 -5.465 -13.585 -4.196 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.218 -13.928 -3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.850 -12.977 -5.328 1.00 0.00 H new ATOM 111 N HIS A 12 -3.596 -10.640 -3.939 1.00 0.00 N ATOM 112 CA HIS A 12 -3.335 -9.423 -3.178 1.00 0.00 C ATOM 113 C HIS A 12 -4.387 -9.225 -2.091 1.00 0.00 C ATOM 114 O HIS A 12 -5.552 -9.583 -2.268 1.00 0.00 O ATOM 115 CB HIS A 12 -3.311 -8.210 -4.108 1.00 0.00 C ATOM 116 CG HIS A 12 -4.301 -8.295 -5.229 1.00 0.00 C ATOM 117 ND1 HIS A 12 -5.566 -7.749 -5.159 1.00 0.00 N ATOM 118 CD2 HIS A 12 -4.207 -8.867 -6.452 1.00 0.00 C ATOM 119 CE1 HIS A 12 -6.206 -7.982 -6.291 1.00 0.00 C ATOM 120 NE2 HIS A 12 -5.404 -8.658 -7.093 1.00 0.00 N ATOM 0 H HIS A 12 -4.161 -10.501 -4.777 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.360 -9.525 -2.701 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -3.511 -7.311 -3.525 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -2.310 -8.102 -4.526 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -3.350 -9.390 -6.850 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -7.215 -7.672 -6.521 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -5.635 -8.974 -8.035 1.00 0.00 H new ATOM 129 N PHE A 13 -3.969 -8.654 -0.967 1.00 0.00 N ATOM 130 CA PHE A 13 -4.876 -8.411 0.150 1.00 0.00 C ATOM 131 C PHE A 13 -4.892 -6.931 0.524 1.00 0.00 C ATOM 132 O PHE A 13 -4.004 -6.172 0.137 1.00 0.00 O ATOM 133 CB PHE A 13 -4.465 -9.250 1.361 1.00 0.00 C ATOM 134 CG PHE A 13 -3.077 -8.954 1.853 1.00 0.00 C ATOM 135 CD1 PHE A 13 -1.985 -9.633 1.339 1.00 0.00 C ATOM 136 CD2 PHE A 13 -2.865 -7.995 2.831 1.00 0.00 C ATOM 137 CE1 PHE A 13 -0.707 -9.362 1.789 1.00 0.00 C ATOM 138 CE2 PHE A 13 -1.589 -7.719 3.285 1.00 0.00 C ATOM 139 CZ PHE A 13 -0.509 -8.405 2.764 1.00 0.00 C ATOM 0 H PHE A 13 -3.009 -8.351 -0.805 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.880 -8.701 -0.160 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.174 -9.076 2.171 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.532 -10.306 1.101 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.134 -10.384 0.577 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.706 -7.457 3.243 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.136 -9.898 1.378 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.437 -6.968 4.046 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.489 -8.193 3.119 1.00 0.00 H new ATOM 149 N SER A 14 -5.909 -6.530 1.280 1.00 0.00 N ATOM 150 CA SER A 14 -6.044 -5.141 1.704 1.00 0.00 C ATOM 151 C SER A 14 -5.681 -4.985 3.178 1.00 0.00 C ATOM 152 O SER A 14 -5.658 -5.959 3.930 1.00 0.00 O ATOM 153 CB SER A 14 -7.473 -4.650 1.464 1.00 0.00 C ATOM 154 OG SER A 14 -8.403 -5.387 2.238 1.00 0.00 O ATOM 0 H SER A 14 -6.651 -7.146 1.611 1.00 0.00 H new ATOM 0 HA SER A 14 -5.355 -4.537 1.113 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.544 -3.592 1.715 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.720 -4.744 0.407 1.00 0.00 H new ATOM 0 HG SER A 14 -9.308 -5.052 2.068 1.00 0.00 H new ATOM 160 N VAL A 15 -5.398 -3.751 3.584 1.00 0.00 N ATOM 161 CA VAL A 15 -5.037 -3.466 4.967 1.00 0.00 C ATOM 162 C VAL A 15 -5.961 -2.414 5.570 1.00 0.00 C ATOM 163 O VAL A 15 -6.004 -1.274 5.109 1.00 0.00 O ATOM 164 CB VAL A 15 -3.581 -2.978 5.078 1.00 0.00 C ATOM 165 CG1 VAL A 15 -3.242 -2.629 6.519 1.00 0.00 C ATOM 166 CG2 VAL A 15 -2.624 -4.029 4.536 1.00 0.00 C ATOM 0 H VAL A 15 -5.412 -2.933 2.975 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.143 -4.399 5.520 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.472 -2.076 4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.209 -2.286 6.577 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.907 -1.839 6.868 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.367 -3.512 7.146 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.599 -3.667 4.622 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.733 -4.950 5.108 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.853 -4.224 3.488 1.00 0.00 H new ATOM 176 N GLU A 16 -6.700 -2.805 6.604 1.00 0.00 N ATOM 177 CA GLU A 16 -7.624 -1.895 7.270 1.00 0.00 C ATOM 178 C GLU A 16 -7.136 -1.556 8.675 1.00 0.00 C ATOM 179 O GLU A 16 -6.961 -2.440 9.515 1.00 0.00 O ATOM 180 CB GLU A 16 -9.022 -2.512 7.339 1.00 0.00 C ATOM 181 CG GLU A 16 -10.125 -1.497 7.586 1.00 0.00 C ATOM 182 CD GLU A 16 -11.466 -1.946 7.039 1.00 0.00 C ATOM 183 OE1 GLU A 16 -11.491 -2.528 5.934 1.00 0.00 O ATOM 184 OE2 GLU A 16 -12.489 -1.716 7.716 1.00 0.00 O ATOM 0 H GLU A 16 -6.677 -3.745 6.998 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.669 -0.975 6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.225 -3.036 6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.042 -3.258 8.134 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.216 -1.318 8.657 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.849 -0.548 7.127 1.00 0.00 H new ATOM 191 N LEU A 17 -6.916 -0.269 8.925 1.00 0.00 N ATOM 192 CA LEU A 17 -6.447 0.188 10.228 1.00 0.00 C ATOM 193 C LEU A 17 -7.202 1.437 10.671 1.00 0.00 C ATOM 194 O LEU A 17 -7.814 2.127 9.855 1.00 0.00 O ATOM 195 CB LEU A 17 -4.946 0.477 10.179 1.00 0.00 C ATOM 196 CG LEU A 17 -4.044 -0.715 9.856 1.00 0.00 C ATOM 197 CD1 LEU A 17 -2.640 -0.243 9.510 1.00 0.00 C ATOM 198 CD2 LEU A 17 -4.008 -1.690 11.024 1.00 0.00 C ATOM 0 H LEU A 17 -7.055 0.476 8.242 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.635 -0.604 10.953 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.770 1.253 9.434 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.643 0.886 11.143 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.456 -1.233 8.990 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.012 -1.105 9.283 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.681 0.415 8.642 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.219 0.299 10.357 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.361 -2.532 10.776 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.621 -1.184 11.909 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.016 -2.054 11.225 1.00 0.00 H new ATOM 210 N VAL A 18 -7.153 1.724 11.968 1.00 0.00 N ATOM 211 CA VAL A 18 -7.830 2.892 12.519 1.00 0.00 C ATOM 212 C VAL A 18 -6.827 3.899 13.069 1.00 0.00 C ATOM 213 O VAL A 18 -5.994 3.564 13.911 1.00 0.00 O ATOM 214 CB VAL A 18 -8.811 2.496 13.639 1.00 0.00 C ATOM 215 CG1 VAL A 18 -9.475 3.731 14.228 1.00 0.00 C ATOM 216 CG2 VAL A 18 -9.853 1.520 13.113 1.00 0.00 C ATOM 0 H VAL A 18 -6.651 1.163 12.657 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.389 3.349 11.702 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.250 2.001 14.432 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.164 3.432 15.017 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.713 4.391 14.643 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.024 4.256 13.447 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.538 1.251 13.917 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.412 1.986 12.302 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.357 0.623 12.743 1.00 0.00 H new ATOM 226 N ARG A 19 -6.913 5.135 12.588 1.00 0.00 N ATOM 227 CA ARG A 19 -6.012 6.192 13.032 1.00 0.00 C ATOM 228 C ARG A 19 -5.834 6.155 14.547 1.00 0.00 C ATOM 229 O ARG A 19 -6.719 6.568 15.296 1.00 0.00 O ATOM 230 CB ARG A 19 -6.546 7.560 12.603 1.00 0.00 C ATOM 231 CG ARG A 19 -5.455 8.588 12.350 1.00 0.00 C ATOM 232 CD ARG A 19 -5.995 9.803 11.612 1.00 0.00 C ATOM 233 NE ARG A 19 -5.111 10.958 11.739 1.00 0.00 N ATOM 234 CZ ARG A 19 -5.476 12.199 11.439 1.00 0.00 C ATOM 235 NH1 ARG A 19 -6.701 12.445 10.996 1.00 0.00 N ATOM 236 NH2 ARG A 19 -4.615 13.199 11.582 1.00 0.00 N ATOM 0 H ARG A 19 -7.597 5.429 11.891 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.041 6.026 12.566 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.139 7.441 11.696 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.217 7.937 13.375 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.021 8.901 13.300 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.653 8.134 11.768 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.123 9.559 10.557 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.981 10.056 12.003 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.161 10.803 12.077 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.366 11.680 10.885 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.978 13.399 10.766 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.671 13.015 11.923 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.897 14.152 11.351 1.00 0.00 H new ATOM 250 N GLY A 20 -4.685 5.656 14.991 1.00 0.00 N ATOM 251 CA GLY A 20 -4.413 5.574 16.415 1.00 0.00 C ATOM 252 C GLY A 20 -4.215 6.937 17.047 1.00 0.00 C ATOM 253 O GLY A 20 -5.034 7.379 17.853 1.00 0.00 O ATOM 0 H GLY A 20 -3.938 5.307 14.391 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.239 5.064 16.911 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.521 4.969 16.577 1.00 0.00 H new ATOM 257 N TYR A 21 -3.126 7.604 16.683 1.00 0.00 N ATOM 258 CA TYR A 21 -2.822 8.924 17.224 1.00 0.00 C ATOM 259 C TYR A 21 -1.891 9.693 16.292 1.00 0.00 C ATOM 260 O TYR A 21 -0.718 9.349 16.145 1.00 0.00 O ATOM 261 CB TYR A 21 -2.184 8.796 18.608 1.00 0.00 C ATOM 262 CG TYR A 21 -1.398 10.017 19.028 1.00 0.00 C ATOM 263 CD1 TYR A 21 -2.017 11.077 19.680 1.00 0.00 C ATOM 264 CD2 TYR A 21 -0.035 10.113 18.772 1.00 0.00 C ATOM 265 CE1 TYR A 21 -1.303 12.195 20.064 1.00 0.00 C ATOM 266 CE2 TYR A 21 0.687 11.226 19.154 1.00 0.00 C ATOM 267 CZ TYR A 21 0.049 12.265 19.800 1.00 0.00 C ATOM 268 OH TYR A 21 0.764 13.377 20.181 1.00 0.00 O ATOM 0 H TYR A 21 -2.439 7.253 16.016 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.757 9.477 17.312 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.966 8.607 19.343 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.524 7.929 18.616 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.075 11.025 19.890 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.468 9.303 18.265 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.801 13.010 20.568 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.746 11.283 18.948 1.00 0.00 H new ATOM 0 HH TYR A 21 1.703 13.267 19.922 1.00 0.00 H new ATOM 278 N ALA A 22 -2.423 10.737 15.664 1.00 0.00 N ATOM 279 CA ALA A 22 -1.640 11.557 14.748 1.00 0.00 C ATOM 280 C ALA A 22 -0.938 10.697 13.704 1.00 0.00 C ATOM 281 O ALA A 22 0.278 10.777 13.535 1.00 0.00 O ATOM 282 CB ALA A 22 -0.625 12.388 15.520 1.00 0.00 C ATOM 0 H ALA A 22 -3.393 11.034 15.773 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.322 12.229 14.227 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.047 12.996 14.824 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.146 13.038 16.223 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.046 11.726 16.067 1.00 0.00 H new ATOM 288 N GLY A 23 -1.713 9.873 13.005 1.00 0.00 N ATOM 289 CA GLY A 23 -1.147 9.008 11.985 1.00 0.00 C ATOM 290 C GLY A 23 -1.364 7.538 12.286 1.00 0.00 C ATOM 291 O GLY A 23 -2.090 7.188 13.216 1.00 0.00 O ATOM 0 H GLY A 23 -2.722 9.789 13.127 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.594 9.248 11.020 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.078 9.204 11.899 1.00 0.00 H new ATOM 295 N PHE A 24 -0.734 6.675 11.496 1.00 0.00 N ATOM 296 CA PHE A 24 -0.864 5.235 11.680 1.00 0.00 C ATOM 297 C PHE A 24 0.452 4.626 12.155 1.00 0.00 C ATOM 298 O PHE A 24 0.488 3.493 12.633 1.00 0.00 O ATOM 299 CB PHE A 24 -1.305 4.570 10.374 1.00 0.00 C ATOM 300 CG PHE A 24 -2.765 4.747 10.074 1.00 0.00 C ATOM 301 CD1 PHE A 24 -3.713 3.929 10.668 1.00 0.00 C ATOM 302 CD2 PHE A 24 -3.191 5.732 9.198 1.00 0.00 C ATOM 303 CE1 PHE A 24 -5.058 4.090 10.395 1.00 0.00 C ATOM 304 CE2 PHE A 24 -4.535 5.898 8.920 1.00 0.00 C ATOM 305 CZ PHE A 24 -5.469 5.076 9.519 1.00 0.00 C ATOM 0 H PHE A 24 -0.128 6.948 10.722 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.622 5.059 12.443 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.721 4.982 9.551 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.079 3.505 10.424 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.397 3.156 11.353 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.465 6.378 8.727 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.786 3.446 10.866 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.854 6.670 8.235 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.519 5.204 9.303 1.00 0.00 H new ATOM 315 N GLY A 25 1.533 5.388 12.019 1.00 0.00 N ATOM 316 CA GLY A 25 2.837 4.908 12.438 1.00 0.00 C ATOM 317 C GLY A 25 3.441 3.933 11.447 1.00 0.00 C ATOM 318 O GLY A 25 4.222 3.058 11.823 1.00 0.00 O ATOM 0 H GLY A 25 1.529 6.329 11.626 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.510 5.756 12.565 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.748 4.424 13.411 1.00 0.00 H new ATOM 322 N LEU A 26 3.080 4.082 10.177 1.00 0.00 N ATOM 323 CA LEU A 26 3.590 3.206 9.128 1.00 0.00 C ATOM 324 C LEU A 26 4.521 3.966 8.189 1.00 0.00 C ATOM 325 O LEU A 26 4.196 5.060 7.726 1.00 0.00 O ATOM 326 CB LEU A 26 2.432 2.598 8.335 1.00 0.00 C ATOM 327 CG LEU A 26 2.813 1.563 7.277 1.00 0.00 C ATOM 328 CD1 LEU A 26 3.350 0.301 7.934 1.00 0.00 C ATOM 329 CD2 LEU A 26 1.618 1.239 6.393 1.00 0.00 C ATOM 0 H LEU A 26 2.436 4.802 9.849 1.00 0.00 H new ATOM 0 HA LEU A 26 4.157 2.405 9.602 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.742 2.132 9.038 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.890 3.407 7.845 1.00 0.00 H new ATOM 0 HG LEU A 26 3.599 1.985 6.651 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.616 -0.424 7.165 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.234 0.545 8.524 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.586 -0.124 8.585 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.908 0.500 5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.811 0.838 7.005 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.278 2.146 5.894 1.00 0.00 H new ATOM 341 N THR A 27 5.681 3.380 7.910 1.00 0.00 N ATOM 342 CA THR A 27 6.658 4.000 7.026 1.00 0.00 C ATOM 343 C THR A 27 6.966 3.105 5.831 1.00 0.00 C ATOM 344 O THR A 27 6.932 1.878 5.936 1.00 0.00 O ATOM 345 CB THR A 27 7.971 4.313 7.770 1.00 0.00 C ATOM 346 OG1 THR A 27 7.695 4.618 9.141 1.00 0.00 O ATOM 347 CG2 THR A 27 8.696 5.482 7.121 1.00 0.00 C ATOM 0 H THR A 27 5.966 2.475 8.285 1.00 0.00 H new ATOM 0 HA THR A 27 6.217 4.932 6.674 1.00 0.00 H new ATOM 0 HB THR A 27 8.613 3.434 7.715 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.534 4.814 9.608 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.619 5.684 7.664 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.930 5.235 6.085 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.059 6.366 7.148 1.00 0.00 H new ATOM 355 N LEU A 28 7.267 3.725 4.695 1.00 0.00 N ATOM 356 CA LEU A 28 7.581 2.983 3.479 1.00 0.00 C ATOM 357 C LEU A 28 8.996 3.296 3.001 1.00 0.00 C ATOM 358 O LEU A 28 9.461 4.430 3.106 1.00 0.00 O ATOM 359 CB LEU A 28 6.573 3.318 2.379 1.00 0.00 C ATOM 360 CG LEU A 28 5.311 2.455 2.339 1.00 0.00 C ATOM 361 CD1 LEU A 28 4.197 3.172 1.593 1.00 0.00 C ATOM 362 CD2 LEU A 28 5.606 1.108 1.695 1.00 0.00 C ATOM 0 H LEU A 28 7.300 4.739 4.591 1.00 0.00 H new ATOM 0 HA LEU A 28 7.521 1.919 3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.273 4.360 2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.076 3.235 1.416 1.00 0.00 H new ATOM 0 HG LEU A 28 4.981 2.281 3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.307 2.542 1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.967 4.111 2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.517 3.378 0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.697 0.507 1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.962 1.262 0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.371 0.589 2.272 1.00 0.00 H new ATOM 374 N GLY A 29 9.674 2.282 2.473 1.00 0.00 N ATOM 375 CA GLY A 29 11.028 2.470 1.984 1.00 0.00 C ATOM 376 C GLY A 29 11.159 2.161 0.506 1.00 0.00 C ATOM 377 O GLY A 29 10.655 1.145 0.030 1.00 0.00 O ATOM 0 H GLY A 29 9.310 1.334 2.375 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.337 3.499 2.165 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.707 1.830 2.547 1.00 0.00 H new ATOM 381 N GLY A 30 11.837 3.043 -0.223 1.00 0.00 N ATOM 382 CA GLY A 30 12.018 2.842 -1.649 1.00 0.00 C ATOM 383 C GLY A 30 10.983 3.580 -2.475 1.00 0.00 C ATOM 384 O GLY A 30 10.826 4.794 -2.346 1.00 0.00 O ATOM 0 H GLY A 30 12.264 3.892 0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.014 3.178 -1.936 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.964 1.776 -1.872 1.00 0.00 H new ATOM 388 N GLY A 31 10.275 2.846 -3.328 1.00 0.00 N ATOM 389 CA GLY A 31 9.260 3.456 -4.167 1.00 0.00 C ATOM 390 C GLY A 31 9.847 4.120 -5.397 1.00 0.00 C ATOM 391 O GLY A 31 11.041 3.993 -5.669 1.00 0.00 O ATOM 0 H GLY A 31 10.386 1.840 -3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.543 2.695 -4.476 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.709 4.196 -3.586 1.00 0.00 H new ATOM 395 N ARG A 32 9.006 4.828 -6.143 1.00 0.00 N ATOM 396 CA ARG A 32 9.447 5.512 -7.353 1.00 0.00 C ATOM 397 C ARG A 32 10.016 6.888 -7.022 1.00 0.00 C ATOM 398 O ARG A 32 9.273 7.820 -6.713 1.00 0.00 O ATOM 399 CB ARG A 32 8.286 5.651 -8.338 1.00 0.00 C ATOM 400 CG ARG A 32 8.723 5.692 -9.793 1.00 0.00 C ATOM 401 CD ARG A 32 9.126 7.096 -10.215 1.00 0.00 C ATOM 402 NE ARG A 32 10.029 7.085 -11.362 1.00 0.00 N ATOM 403 CZ ARG A 32 9.645 6.782 -12.597 1.00 0.00 C ATOM 404 NH1 ARG A 32 8.380 6.467 -12.843 1.00 0.00 N ATOM 405 NH2 ARG A 32 10.526 6.794 -13.590 1.00 0.00 N ATOM 0 H ARG A 32 8.015 4.943 -5.931 1.00 0.00 H new ATOM 0 HA ARG A 32 10.234 4.914 -7.813 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.599 4.816 -8.197 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.733 6.561 -8.108 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.562 5.012 -9.941 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.910 5.339 -10.428 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.233 7.670 -10.462 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.609 7.601 -9.379 1.00 0.00 H new ATOM 0 HE ARG A 32 11.009 7.323 -11.207 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.700 6.457 -12.083 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.088 6.235 -13.792 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.499 7.036 -13.405 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.229 6.561 -14.538 1.00 0.00 H new ATOM 419 N ASP A 33 11.337 7.009 -7.089 1.00 0.00 N ATOM 420 CA ASP A 33 12.006 8.271 -6.797 1.00 0.00 C ATOM 421 C ASP A 33 12.855 8.723 -7.981 1.00 0.00 C ATOM 422 O ASP A 33 13.364 7.900 -8.743 1.00 0.00 O ATOM 423 CB ASP A 33 12.880 8.134 -5.550 1.00 0.00 C ATOM 424 CG ASP A 33 13.499 6.755 -5.425 1.00 0.00 C ATOM 425 OD1 ASP A 33 12.770 5.810 -5.058 1.00 0.00 O ATOM 426 OD2 ASP A 33 14.711 6.622 -5.694 1.00 0.00 O ATOM 0 H ASP A 33 11.966 6.248 -7.343 1.00 0.00 H new ATOM 0 HA ASP A 33 11.240 9.025 -6.613 1.00 0.00 H new ATOM 0 HB2 ASP A 33 13.671 8.883 -5.581 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.279 8.341 -4.664 1.00 0.00 H new ATOM 431 N VAL A 34 13.003 10.035 -8.131 1.00 0.00 N ATOM 432 CA VAL A 34 13.790 10.596 -9.223 1.00 0.00 C ATOM 433 C VAL A 34 15.237 10.122 -9.156 1.00 0.00 C ATOM 434 O VAL A 34 15.989 10.255 -10.121 1.00 0.00 O ATOM 435 CB VAL A 34 13.764 12.136 -9.199 1.00 0.00 C ATOM 436 CG1 VAL A 34 12.602 12.663 -10.028 1.00 0.00 C ATOM 437 CG2 VAL A 34 13.683 12.646 -7.768 1.00 0.00 C ATOM 0 H VAL A 34 12.588 10.730 -7.510 1.00 0.00 H new ATOM 0 HA VAL A 34 13.339 10.247 -10.152 1.00 0.00 H new ATOM 0 HB VAL A 34 14.691 12.504 -9.639 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.599 13.753 -10.000 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.709 12.327 -11.059 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.664 12.287 -9.620 1.00 0.00 H new ATOM 0 HG21 VAL A 34 13.666 13.736 -7.771 1.00 0.00 H new ATOM 0 HG22 VAL A 34 12.774 12.270 -7.299 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.551 12.298 -7.208 1.00 0.00 H new ATOM 447 N ALA A 35 15.621 9.569 -8.010 1.00 0.00 N ATOM 448 CA ALA A 35 16.978 9.073 -7.819 1.00 0.00 C ATOM 449 C ALA A 35 17.024 7.551 -7.909 1.00 0.00 C ATOM 450 O ALA A 35 18.001 6.924 -7.502 1.00 0.00 O ATOM 451 CB ALA A 35 17.527 9.540 -6.479 1.00 0.00 C ATOM 0 H ALA A 35 15.012 9.453 -7.200 1.00 0.00 H new ATOM 0 HA ALA A 35 17.602 9.478 -8.616 1.00 0.00 H new ATOM 0 HB1 ALA A 35 18.541 9.162 -6.350 1.00 0.00 H new ATOM 0 HB2 ALA A 35 17.539 10.630 -6.451 1.00 0.00 H new ATOM 0 HB3 ALA A 35 16.894 9.163 -5.675 1.00 0.00 H new ATOM 457 N GLY A 36 15.959 6.962 -8.446 1.00 0.00 N ATOM 458 CA GLY A 36 15.899 5.518 -8.579 1.00 0.00 C ATOM 459 C GLY A 36 14.477 4.993 -8.550 1.00 0.00 C ATOM 460 O GLY A 36 13.594 5.606 -7.950 1.00 0.00 O ATOM 0 H GLY A 36 15.138 7.459 -8.791 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.374 5.222 -9.515 1.00 0.00 H new ATOM 0 HA3 GLY A 36 16.470 5.058 -7.773 1.00 0.00 H new ATOM 464 N ASP A 37 14.255 3.856 -9.199 1.00 0.00 N ATOM 465 CA ASP A 37 12.930 3.248 -9.246 1.00 0.00 C ATOM 466 C ASP A 37 12.905 1.940 -8.461 1.00 0.00 C ATOM 467 O ASP A 37 13.470 0.934 -8.891 1.00 0.00 O ATOM 468 CB ASP A 37 12.513 2.995 -10.695 1.00 0.00 C ATOM 469 CG ASP A 37 13.288 1.858 -11.332 1.00 0.00 C ATOM 470 OD1 ASP A 37 14.488 1.711 -11.020 1.00 0.00 O ATOM 471 OD2 ASP A 37 12.694 1.115 -12.141 1.00 0.00 O ATOM 0 H ASP A 37 14.975 3.336 -9.700 1.00 0.00 H new ATOM 0 HA ASP A 37 12.223 3.940 -8.788 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.447 2.768 -10.729 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.664 3.904 -11.277 1.00 0.00 H new ATOM 476 N THR A 38 12.246 1.962 -7.306 1.00 0.00 N ATOM 477 CA THR A 38 12.148 0.779 -6.460 1.00 0.00 C ATOM 478 C THR A 38 10.703 0.507 -6.059 1.00 0.00 C ATOM 479 O THR A 38 9.903 1.424 -5.870 1.00 0.00 O ATOM 480 CB THR A 38 13.003 0.928 -5.187 1.00 0.00 C ATOM 481 OG1 THR A 38 12.742 2.192 -4.566 1.00 0.00 O ATOM 482 CG2 THR A 38 14.484 0.813 -5.512 1.00 0.00 C ATOM 0 H THR A 38 11.773 2.786 -6.936 1.00 0.00 H new ATOM 0 HA THR A 38 12.523 -0.060 -7.045 1.00 0.00 H new ATOM 0 HB THR A 38 12.735 0.125 -4.501 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.048 2.667 -5.069 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.067 0.922 -4.597 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.684 -0.162 -5.956 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.764 1.597 -6.216 1.00 0.00 H new ATOM 490 N PRO A 39 10.357 -0.782 -5.927 1.00 0.00 N ATOM 491 CA PRO A 39 9.006 -1.204 -5.546 1.00 0.00 C ATOM 492 C PRO A 39 8.680 -0.865 -4.095 1.00 0.00 C ATOM 493 O PRO A 39 9.321 -1.368 -3.171 1.00 0.00 O ATOM 494 CB PRO A 39 9.038 -2.721 -5.747 1.00 0.00 C ATOM 495 CG PRO A 39 10.474 -3.092 -5.601 1.00 0.00 C ATOM 496 CD PRO A 39 11.259 -1.927 -6.137 1.00 0.00 C ATOM 0 HA PRO A 39 8.240 -0.699 -6.134 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.420 -3.231 -5.008 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.655 -2.998 -6.729 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.723 -3.284 -4.557 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.700 -4.003 -6.155 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.202 -1.799 -5.605 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.503 -2.058 -7.191 1.00 0.00 H new ATOM 504 N LEU A 40 7.681 -0.012 -3.902 1.00 0.00 N ATOM 505 CA LEU A 40 7.269 0.394 -2.562 1.00 0.00 C ATOM 506 C LEU A 40 7.122 -0.818 -1.648 1.00 0.00 C ATOM 507 O LEU A 40 6.475 -1.802 -2.004 1.00 0.00 O ATOM 508 CB LEU A 40 5.949 1.163 -2.624 1.00 0.00 C ATOM 509 CG LEU A 40 6.061 2.675 -2.821 1.00 0.00 C ATOM 510 CD1 LEU A 40 4.691 3.285 -3.070 1.00 0.00 C ATOM 511 CD2 LEU A 40 6.723 3.322 -1.613 1.00 0.00 C ATOM 0 H LEU A 40 7.141 0.412 -4.656 1.00 0.00 H new ATOM 0 HA LEU A 40 8.042 1.044 -2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.351 0.754 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.400 0.977 -1.701 1.00 0.00 H new ATOM 0 HG LEU A 40 6.683 2.862 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.792 4.362 -3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.254 2.844 -3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.044 3.088 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.795 4.398 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.127 3.124 -0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.722 2.907 -1.480 1.00 0.00 H new ATOM 523 N ALA A 41 7.727 -0.739 -0.467 1.00 0.00 N ATOM 524 CA ALA A 41 7.660 -1.827 0.501 1.00 0.00 C ATOM 525 C ALA A 41 7.870 -1.313 1.921 1.00 0.00 C ATOM 526 O ALA A 41 8.800 -0.550 2.184 1.00 0.00 O ATOM 527 CB ALA A 41 8.690 -2.895 0.166 1.00 0.00 C ATOM 0 H ALA A 41 8.269 0.068 -0.158 1.00 0.00 H new ATOM 0 HA ALA A 41 6.665 -2.268 0.447 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.629 -3.701 0.897 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.492 -3.292 -0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.688 -2.458 0.190 1.00 0.00 H new ATOM 533 N VAL A 42 7.001 -1.735 2.833 1.00 0.00 N ATOM 534 CA VAL A 42 7.092 -1.317 4.227 1.00 0.00 C ATOM 535 C VAL A 42 8.542 -1.276 4.695 1.00 0.00 C ATOM 536 O VAL A 42 9.346 -2.134 4.332 1.00 0.00 O ATOM 537 CB VAL A 42 6.293 -2.258 5.148 1.00 0.00 C ATOM 538 CG1 VAL A 42 6.493 -1.875 6.607 1.00 0.00 C ATOM 539 CG2 VAL A 42 4.817 -2.237 4.781 1.00 0.00 C ATOM 0 H VAL A 42 6.226 -2.366 2.632 1.00 0.00 H new ATOM 0 HA VAL A 42 6.666 -0.315 4.286 1.00 0.00 H new ATOM 0 HB VAL A 42 6.664 -3.274 5.009 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.921 -2.551 7.242 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.551 -1.947 6.860 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.151 -0.852 6.765 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.268 -2.908 5.442 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.430 -1.224 4.889 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.694 -2.564 3.749 1.00 0.00 H new ATOM 549 N ARG A 43 8.869 -0.272 5.502 1.00 0.00 N ATOM 550 CA ARG A 43 10.224 -0.119 6.020 1.00 0.00 C ATOM 551 C ARG A 43 10.251 -0.301 7.534 1.00 0.00 C ATOM 552 O ARG A 43 10.774 -1.293 8.041 1.00 0.00 O ATOM 553 CB ARG A 43 10.780 1.258 5.651 1.00 0.00 C ATOM 554 CG ARG A 43 12.298 1.308 5.601 1.00 0.00 C ATOM 555 CD ARG A 43 12.892 1.593 6.972 1.00 0.00 C ATOM 556 NE ARG A 43 14.327 1.327 7.013 1.00 0.00 N ATOM 557 CZ ARG A 43 15.089 1.565 8.075 1.00 0.00 C ATOM 558 NH1 ARG A 43 14.555 2.070 9.178 1.00 0.00 N ATOM 559 NH2 ARG A 43 16.388 1.296 8.035 1.00 0.00 N ATOM 0 H ARG A 43 8.215 0.447 5.811 1.00 0.00 H new ATOM 0 HA ARG A 43 10.849 -0.889 5.568 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.383 1.552 4.680 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.424 1.990 6.376 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.682 0.359 5.227 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.615 2.079 4.899 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.709 2.634 7.237 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.388 0.980 7.720 1.00 0.00 H new ATOM 0 HE ARG A 43 14.769 0.937 6.180 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.557 2.277 9.213 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.142 2.252 9.992 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.802 0.906 7.188 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.972 1.479 8.851 1.00 0.00 H new ATOM 573 N GLY A 44 9.684 0.664 8.252 1.00 0.00 N ATOM 574 CA GLY A 44 9.655 0.591 9.701 1.00 0.00 C ATOM 575 C GLY A 44 8.244 0.545 10.251 1.00 0.00 C ATOM 576 O GLY A 44 7.310 1.053 9.629 1.00 0.00 O ATOM 0 H GLY A 44 9.244 1.495 7.856 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.198 -0.296 10.028 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.175 1.454 10.116 1.00 0.00 H new ATOM 580 N LEU A 45 8.086 -0.066 11.420 1.00 0.00 N ATOM 581 CA LEU A 45 6.776 -0.178 12.054 1.00 0.00 C ATOM 582 C LEU A 45 6.776 0.490 13.425 1.00 0.00 C ATOM 583 O LEU A 45 7.386 -0.011 14.371 1.00 0.00 O ATOM 584 CB LEU A 45 6.378 -1.649 12.190 1.00 0.00 C ATOM 585 CG LEU A 45 5.855 -2.323 10.922 1.00 0.00 C ATOM 586 CD1 LEU A 45 6.016 -3.833 11.014 1.00 0.00 C ATOM 587 CD2 LEU A 45 4.398 -1.954 10.683 1.00 0.00 C ATOM 0 H LEU A 45 8.848 -0.491 11.948 1.00 0.00 H new ATOM 0 HA LEU A 45 6.049 0.332 11.422 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.245 -2.208 12.543 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.612 -1.727 12.961 1.00 0.00 H new ATOM 0 HG LEU A 45 6.443 -1.966 10.076 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.638 -4.295 10.102 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.071 -4.080 11.136 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.455 -4.207 11.870 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.043 -2.443 9.776 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.796 -2.281 11.531 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.310 -0.873 10.571 1.00 0.00 H new ATOM 599 N LEU A 46 6.087 1.621 13.526 1.00 0.00 N ATOM 600 CA LEU A 46 6.005 2.357 14.783 1.00 0.00 C ATOM 601 C LEU A 46 5.722 1.415 15.948 1.00 0.00 C ATOM 602 O LEU A 46 4.622 0.877 16.073 1.00 0.00 O ATOM 603 CB LEU A 46 4.915 3.427 14.700 1.00 0.00 C ATOM 604 CG LEU A 46 4.973 4.528 15.759 1.00 0.00 C ATOM 605 CD1 LEU A 46 5.856 5.674 15.290 1.00 0.00 C ATOM 606 CD2 LEU A 46 3.573 5.029 16.084 1.00 0.00 C ATOM 0 H LEU A 46 5.577 2.049 12.753 1.00 0.00 H new ATOM 0 HA LEU A 46 6.967 2.840 14.956 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.966 3.894 13.716 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.945 2.935 14.769 1.00 0.00 H new ATOM 0 HG LEU A 46 5.408 4.110 16.667 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.885 6.448 16.057 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.865 5.305 15.108 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.451 6.092 14.368 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.633 5.812 16.840 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.111 5.430 15.182 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.970 4.204 16.464 1.00 0.00 H new ATOM 618 N LYS A 47 6.722 1.221 16.802 1.00 0.00 N ATOM 619 CA LYS A 47 6.580 0.347 17.961 1.00 0.00 C ATOM 620 C LYS A 47 5.281 0.636 18.705 1.00 0.00 C ATOM 621 O LYS A 47 4.962 1.790 18.992 1.00 0.00 O ATOM 622 CB LYS A 47 7.771 0.522 18.906 1.00 0.00 C ATOM 623 CG LYS A 47 7.858 -0.548 19.980 1.00 0.00 C ATOM 624 CD LYS A 47 7.045 -0.174 21.207 1.00 0.00 C ATOM 625 CE LYS A 47 6.539 -1.407 21.938 1.00 0.00 C ATOM 626 NZ LYS A 47 7.656 -2.226 22.485 1.00 0.00 N ATOM 0 H LYS A 47 7.640 1.657 16.713 1.00 0.00 H new ATOM 0 HA LYS A 47 6.553 -0.683 17.606 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.691 0.514 18.322 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.704 1.500 19.384 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.499 -1.496 19.580 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.900 -0.696 20.264 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.657 0.424 21.882 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.199 0.446 20.909 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.880 -1.102 22.751 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.944 -2.014 21.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.268 -3.020 23.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.232 -2.595 21.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.249 -1.636 23.103 1.00 0.00 H new ATOM 640 N ASP A 48 4.536 -0.419 19.016 1.00 0.00 N ATOM 641 CA ASP A 48 3.272 -0.279 19.730 1.00 0.00 C ATOM 642 C ASP A 48 2.260 0.500 18.895 1.00 0.00 C ATOM 643 O ASP A 48 1.398 1.193 19.433 1.00 0.00 O ATOM 644 CB ASP A 48 3.493 0.424 21.070 1.00 0.00 C ATOM 645 CG ASP A 48 2.229 0.493 21.904 1.00 0.00 C ATOM 646 OD1 ASP A 48 1.330 -0.347 21.689 1.00 0.00 O ATOM 647 OD2 ASP A 48 2.139 1.386 22.772 1.00 0.00 O ATOM 0 H ASP A 48 4.785 -1.381 18.785 1.00 0.00 H new ATOM 0 HA ASP A 48 2.875 -1.277 19.913 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.266 -0.103 21.630 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.862 1.434 20.891 1.00 0.00 H new ATOM 652 N GLY A 49 2.372 0.381 17.575 1.00 0.00 N ATOM 653 CA GLY A 49 1.462 1.080 16.687 1.00 0.00 C ATOM 654 C GLY A 49 0.349 0.186 16.176 1.00 0.00 C ATOM 655 O GLY A 49 0.324 -1.018 16.432 1.00 0.00 O ATOM 0 H GLY A 49 3.077 -0.187 17.105 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.028 1.931 17.213 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.021 1.479 15.841 1.00 0.00 H new ATOM 659 N PRO A 50 -0.599 0.779 15.435 1.00 0.00 N ATOM 660 CA PRO A 50 -1.737 0.046 14.872 1.00 0.00 C ATOM 661 C PRO A 50 -1.320 -0.904 13.755 1.00 0.00 C ATOM 662 O PRO A 50 -2.005 -1.887 13.475 1.00 0.00 O ATOM 663 CB PRO A 50 -2.636 1.156 14.323 1.00 0.00 C ATOM 664 CG PRO A 50 -1.711 2.291 14.046 1.00 0.00 C ATOM 665 CD PRO A 50 -0.632 2.210 15.090 1.00 0.00 C ATOM 0 HA PRO A 50 -2.223 -0.587 15.615 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.152 0.836 13.418 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.403 1.437 15.045 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.290 2.216 13.043 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.236 3.245 14.101 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.328 2.553 14.703 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -0.865 2.827 15.958 1.00 0.00 H new ATOM 673 N ALA A 51 -0.192 -0.603 13.119 1.00 0.00 N ATOM 674 CA ALA A 51 0.318 -1.432 12.034 1.00 0.00 C ATOM 675 C ALA A 51 1.047 -2.657 12.574 1.00 0.00 C ATOM 676 O ALA A 51 0.832 -3.775 12.107 1.00 0.00 O ATOM 677 CB ALA A 51 1.240 -0.619 11.137 1.00 0.00 C ATOM 0 H ALA A 51 0.386 0.209 13.337 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.531 -1.778 11.445 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.614 -1.251 10.331 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.689 0.221 10.714 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.079 -0.244 11.723 1.00 0.00 H new ATOM 683 N GLN A 52 1.911 -2.438 13.561 1.00 0.00 N ATOM 684 CA GLN A 52 2.673 -3.526 14.163 1.00 0.00 C ATOM 685 C GLN A 52 1.762 -4.454 14.959 1.00 0.00 C ATOM 686 O GLN A 52 1.918 -5.674 14.922 1.00 0.00 O ATOM 687 CB GLN A 52 3.769 -2.966 15.072 1.00 0.00 C ATOM 688 CG GLN A 52 4.601 -4.040 15.755 1.00 0.00 C ATOM 689 CD GLN A 52 5.403 -4.869 14.771 1.00 0.00 C ATOM 690 OE1 GLN A 52 6.627 -4.758 14.701 1.00 0.00 O ATOM 691 NE2 GLN A 52 4.716 -5.708 14.005 1.00 0.00 N ATOM 0 H GLN A 52 2.100 -1.519 13.960 1.00 0.00 H new ATOM 0 HA GLN A 52 3.134 -4.101 13.360 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.428 -2.328 14.483 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.311 -2.334 15.833 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.280 -3.571 16.467 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.944 -4.696 16.326 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.702 -5.768 14.096 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.202 -6.293 13.325 1.00 0.00 H new ATOM 700 N ARG A 53 0.810 -3.867 15.678 1.00 0.00 N ATOM 701 CA ARG A 53 -0.126 -4.642 16.484 1.00 0.00 C ATOM 702 C ARG A 53 -0.934 -5.598 15.610 1.00 0.00 C ATOM 703 O ARG A 53 -1.080 -6.777 15.934 1.00 0.00 O ATOM 704 CB ARG A 53 -1.069 -3.710 17.246 1.00 0.00 C ATOM 705 CG ARG A 53 -0.472 -3.156 18.529 1.00 0.00 C ATOM 706 CD ARG A 53 -1.525 -2.464 19.380 1.00 0.00 C ATOM 707 NE ARG A 53 -2.230 -3.404 20.248 1.00 0.00 N ATOM 708 CZ ARG A 53 -2.869 -3.044 21.356 1.00 0.00 C ATOM 709 NH1 ARG A 53 -2.892 -1.772 21.728 1.00 0.00 N ATOM 710 NH2 ARG A 53 -3.488 -3.957 22.093 1.00 0.00 N ATOM 0 H ARG A 53 0.667 -2.858 15.719 1.00 0.00 H new ATOM 0 HA ARG A 53 0.449 -5.229 17.200 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.348 -2.880 16.597 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.985 -4.250 17.485 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.017 -3.966 19.099 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.323 -2.451 18.287 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.051 -1.694 19.989 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.242 -1.961 18.732 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.232 -4.391 19.989 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.418 -1.067 21.163 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.383 -1.498 22.579 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.474 -4.937 21.809 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.978 -3.679 22.943 1.00 0.00 H new ATOM 724 N CYS A 54 -1.457 -5.081 14.504 1.00 0.00 N ATOM 725 CA CYS A 54 -2.251 -5.887 13.585 1.00 0.00 C ATOM 726 C CYS A 54 -1.464 -7.104 13.109 1.00 0.00 C ATOM 727 O CYS A 54 -2.020 -8.188 12.940 1.00 0.00 O ATOM 728 CB CYS A 54 -2.689 -5.047 12.384 1.00 0.00 C ATOM 729 SG CYS A 54 -3.986 -5.811 11.382 1.00 0.00 S ATOM 0 H CYS A 54 -1.345 -4.107 14.222 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.136 -6.235 14.118 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.043 -4.080 12.741 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.822 -4.856 11.752 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.290 -5.025 10.392 1.00 0.00 H new ATOM 735 N GLY A 55 -0.166 -6.916 12.894 1.00 0.00 N ATOM 736 CA GLY A 55 0.677 -8.006 12.439 1.00 0.00 C ATOM 737 C GLY A 55 0.480 -8.315 10.968 1.00 0.00 C ATOM 738 O GLY A 55 1.209 -9.124 10.394 1.00 0.00 O ATOM 0 H GLY A 55 0.317 -6.028 13.027 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.722 -7.752 12.617 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.461 -8.898 13.027 1.00 0.00 H new ATOM 742 N ARG A 56 -0.509 -7.671 10.357 1.00 0.00 N ATOM 743 CA ARG A 56 -0.801 -7.884 8.944 1.00 0.00 C ATOM 744 C ARG A 56 0.293 -7.284 8.066 1.00 0.00 C ATOM 745 O ARG A 56 0.585 -7.795 6.984 1.00 0.00 O ATOM 746 CB ARG A 56 -2.154 -7.268 8.583 1.00 0.00 C ATOM 747 CG ARG A 56 -3.325 -8.219 8.767 1.00 0.00 C ATOM 748 CD ARG A 56 -4.556 -7.741 8.013 1.00 0.00 C ATOM 749 NE ARG A 56 -5.792 -8.229 8.617 1.00 0.00 N ATOM 750 CZ ARG A 56 -7.001 -7.812 8.257 1.00 0.00 C ATOM 751 NH1 ARG A 56 -7.135 -6.903 7.301 1.00 0.00 N ATOM 752 NH2 ARG A 56 -8.079 -8.304 8.854 1.00 0.00 N ATOM 0 H ARG A 56 -1.121 -6.998 10.818 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.838 -8.958 8.765 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.316 -6.383 9.198 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.127 -6.935 7.545 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.046 -9.213 8.417 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.559 -8.309 9.828 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.568 -6.651 7.993 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.501 -8.078 6.978 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.724 -8.929 9.356 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.309 -6.522 6.840 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.064 -6.585 7.027 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.980 -9.003 9.590 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.007 -7.983 8.577 1.00 0.00 H new ATOM 766 N LEU A 57 0.894 -6.198 8.538 1.00 0.00 N ATOM 767 CA LEU A 57 1.957 -5.528 7.796 1.00 0.00 C ATOM 768 C LEU A 57 3.315 -5.781 8.442 1.00 0.00 C ATOM 769 O LEU A 57 3.474 -5.633 9.654 1.00 0.00 O ATOM 770 CB LEU A 57 1.685 -4.024 7.725 1.00 0.00 C ATOM 771 CG LEU A 57 0.679 -3.574 6.666 1.00 0.00 C ATOM 772 CD1 LEU A 57 0.388 -2.087 6.804 1.00 0.00 C ATOM 773 CD2 LEU A 57 1.195 -3.891 5.270 1.00 0.00 C ATOM 0 H LEU A 57 0.664 -5.762 9.431 1.00 0.00 H new ATOM 0 HA LEU A 57 1.975 -5.936 6.786 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.328 -3.693 8.700 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.630 -3.512 7.541 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.251 -4.121 6.820 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.330 -1.785 6.042 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.026 -1.887 7.792 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.312 -1.522 6.677 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.465 -3.563 4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.139 -3.371 5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.351 -4.966 5.175 1.00 0.00 H new ATOM 785 N GLU A 58 4.292 -6.160 7.625 1.00 0.00 N ATOM 786 CA GLU A 58 5.638 -6.432 8.117 1.00 0.00 C ATOM 787 C GLU A 58 6.689 -5.853 7.175 1.00 0.00 C ATOM 788 O GLU A 58 6.423 -5.623 5.996 1.00 0.00 O ATOM 789 CB GLU A 58 5.853 -7.939 8.274 1.00 0.00 C ATOM 790 CG GLU A 58 5.282 -8.504 9.564 1.00 0.00 C ATOM 791 CD GLU A 58 4.891 -9.963 9.439 1.00 0.00 C ATOM 792 OE1 GLU A 58 3.947 -10.261 8.678 1.00 0.00 O ATOM 793 OE2 GLU A 58 5.528 -10.808 10.103 1.00 0.00 O ATOM 0 H GLU A 58 4.177 -6.286 6.619 1.00 0.00 H new ATOM 0 HA GLU A 58 5.745 -5.954 9.091 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.396 -8.453 7.428 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.922 -8.151 8.236 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.018 -8.396 10.361 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.408 -7.921 9.856 1.00 0.00 H new ATOM 800 N VAL A 59 7.885 -5.618 7.706 1.00 0.00 N ATOM 801 CA VAL A 59 8.978 -5.066 6.914 1.00 0.00 C ATOM 802 C VAL A 59 9.305 -5.965 5.726 1.00 0.00 C ATOM 803 O VAL A 59 9.647 -7.134 5.895 1.00 0.00 O ATOM 804 CB VAL A 59 10.248 -4.877 7.764 1.00 0.00 C ATOM 805 CG1 VAL A 59 11.354 -4.238 6.938 1.00 0.00 C ATOM 806 CG2 VAL A 59 9.942 -4.040 8.998 1.00 0.00 C ATOM 0 H VAL A 59 8.121 -5.801 8.681 1.00 0.00 H new ATOM 0 HA VAL A 59 8.645 -4.094 6.550 1.00 0.00 H new ATOM 0 HB VAL A 59 10.594 -5.857 8.093 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.243 -4.112 7.556 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.590 -4.879 6.088 1.00 0.00 H new ATOM 0 HG13 VAL A 59 11.022 -3.264 6.577 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.850 -3.916 9.588 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.572 -3.062 8.691 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.184 -4.542 9.600 1.00 0.00 H new ATOM 816 N GLY A 60 9.196 -5.410 4.523 1.00 0.00 N ATOM 817 CA GLY A 60 9.484 -6.175 3.324 1.00 0.00 C ATOM 818 C GLY A 60 8.284 -6.286 2.405 1.00 0.00 C ATOM 819 O GLY A 60 8.432 -6.352 1.184 1.00 0.00 O ATOM 0 H GLY A 60 8.913 -4.444 4.357 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.307 -5.705 2.786 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.816 -7.174 3.605 1.00 0.00 H new ATOM 823 N ASP A 61 7.092 -6.307 2.991 1.00 0.00 N ATOM 824 CA ASP A 61 5.861 -6.411 2.216 1.00 0.00 C ATOM 825 C ASP A 61 5.909 -5.500 0.993 1.00 0.00 C ATOM 826 O ASP A 61 6.419 -4.381 1.060 1.00 0.00 O ATOM 827 CB ASP A 61 4.654 -6.054 3.086 1.00 0.00 C ATOM 828 CG ASP A 61 4.411 -7.070 4.184 1.00 0.00 C ATOM 829 OD1 ASP A 61 5.386 -7.718 4.619 1.00 0.00 O ATOM 830 OD2 ASP A 61 3.246 -7.216 4.609 1.00 0.00 O ATOM 0 H ASP A 61 6.952 -6.253 4.000 1.00 0.00 H new ATOM 0 HA ASP A 61 5.762 -7.442 1.875 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.809 -5.072 3.532 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.766 -5.982 2.458 1.00 0.00 H new ATOM 835 N LEU A 62 5.378 -5.987 -0.122 1.00 0.00 N ATOM 836 CA LEU A 62 5.361 -5.218 -1.362 1.00 0.00 C ATOM 837 C LEU A 62 4.000 -4.565 -1.579 1.00 0.00 C ATOM 838 O LEU A 62 2.961 -5.169 -1.313 1.00 0.00 O ATOM 839 CB LEU A 62 5.703 -6.119 -2.549 1.00 0.00 C ATOM 840 CG LEU A 62 6.969 -6.965 -2.408 1.00 0.00 C ATOM 841 CD1 LEU A 62 7.022 -8.032 -3.490 1.00 0.00 C ATOM 842 CD2 LEU A 62 8.208 -6.083 -2.464 1.00 0.00 C ATOM 0 H LEU A 62 4.953 -6.911 -0.194 1.00 0.00 H new ATOM 0 HA LEU A 62 6.112 -4.432 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.861 -6.788 -2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.805 -5.494 -3.436 1.00 0.00 H new ATOM 0 HG LEU A 62 6.945 -7.462 -1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.930 -8.624 -3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.151 -8.682 -3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.023 -7.556 -4.471 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.100 -6.701 -2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.238 -5.558 -3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.175 -5.357 -1.651 1.00 0.00 H new ATOM 854 N VAL A 63 4.014 -3.328 -2.067 1.00 0.00 N ATOM 855 CA VAL A 63 2.780 -2.594 -2.323 1.00 0.00 C ATOM 856 C VAL A 63 2.518 -2.467 -3.820 1.00 0.00 C ATOM 857 O VAL A 63 3.361 -1.971 -4.569 1.00 0.00 O ATOM 858 CB VAL A 63 2.825 -1.187 -1.700 1.00 0.00 C ATOM 859 CG1 VAL A 63 1.429 -0.585 -1.640 1.00 0.00 C ATOM 860 CG2 VAL A 63 3.451 -1.238 -0.314 1.00 0.00 C ATOM 0 H VAL A 63 4.865 -2.814 -2.293 1.00 0.00 H new ATOM 0 HA VAL A 63 1.972 -3.162 -1.862 1.00 0.00 H new ATOM 0 HB VAL A 63 3.444 -0.549 -2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.480 0.409 -1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.020 -0.512 -2.648 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.785 -1.220 -1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.475 -0.235 0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.860 -1.891 0.328 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.467 -1.625 -0.388 1.00 0.00 H new ATOM 870 N LEU A 64 1.345 -2.917 -4.250 1.00 0.00 N ATOM 871 CA LEU A 64 0.970 -2.854 -5.658 1.00 0.00 C ATOM 872 C LEU A 64 -0.032 -1.730 -5.905 1.00 0.00 C ATOM 873 O LEU A 64 0.001 -1.072 -6.945 1.00 0.00 O ATOM 874 CB LEU A 64 0.377 -4.189 -6.110 1.00 0.00 C ATOM 875 CG LEU A 64 1.318 -5.393 -6.057 1.00 0.00 C ATOM 876 CD1 LEU A 64 0.643 -6.625 -6.640 1.00 0.00 C ATOM 877 CD2 LEU A 64 2.612 -5.092 -6.799 1.00 0.00 C ATOM 0 H LEU A 64 0.636 -3.330 -3.643 1.00 0.00 H new ATOM 0 HA LEU A 64 1.870 -2.649 -6.238 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.493 -4.406 -5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.020 -4.077 -7.134 1.00 0.00 H new ATOM 0 HG LEU A 64 1.559 -5.595 -5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.328 -7.472 -6.594 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.255 -6.853 -6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.372 -6.434 -7.678 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.269 -5.960 -6.751 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.389 -4.863 -7.841 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.106 -4.237 -6.337 1.00 0.00 H new ATOM 889 N HIS A 65 -0.920 -1.514 -4.940 1.00 0.00 N ATOM 890 CA HIS A 65 -1.931 -0.468 -5.051 1.00 0.00 C ATOM 891 C HIS A 65 -2.280 0.098 -3.678 1.00 0.00 C ATOM 892 O HIS A 65 -1.838 -0.420 -2.652 1.00 0.00 O ATOM 893 CB HIS A 65 -3.189 -1.015 -5.725 1.00 0.00 C ATOM 894 CG HIS A 65 -2.921 -1.698 -7.030 1.00 0.00 C ATOM 895 ND1 HIS A 65 -2.299 -1.075 -8.092 1.00 0.00 N ATOM 896 CD2 HIS A 65 -3.192 -2.959 -7.442 1.00 0.00 C ATOM 897 CE1 HIS A 65 -2.201 -1.923 -9.101 1.00 0.00 C ATOM 898 NE2 HIS A 65 -2.735 -3.074 -8.732 1.00 0.00 N ATOM 0 H HIS A 65 -0.960 -2.049 -4.073 1.00 0.00 H new ATOM 0 HA HIS A 65 -1.521 0.336 -5.662 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.676 -1.718 -5.050 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.888 -0.195 -5.890 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.677 -3.731 -6.864 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.759 -1.711 -10.064 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -2.798 -3.911 -9.311 1.00 0.00 H new ATOM 907 N ILE A 66 -3.074 1.163 -3.667 1.00 0.00 N ATOM 908 CA ILE A 66 -3.482 1.799 -2.420 1.00 0.00 C ATOM 909 C ILE A 66 -4.870 2.417 -2.546 1.00 0.00 C ATOM 910 O ILE A 66 -5.171 3.096 -3.527 1.00 0.00 O ATOM 911 CB ILE A 66 -2.483 2.890 -1.991 1.00 0.00 C ATOM 912 CG1 ILE A 66 -1.132 2.265 -1.636 1.00 0.00 C ATOM 913 CG2 ILE A 66 -3.034 3.678 -0.812 1.00 0.00 C ATOM 914 CD1 ILE A 66 -0.073 3.282 -1.271 1.00 0.00 C ATOM 0 H ILE A 66 -3.448 1.604 -4.507 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.503 1.018 -1.660 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.336 3.576 -2.825 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.267 1.577 -0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.781 1.674 -2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.317 4.445 -0.520 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.974 4.150 -1.097 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.206 3.004 0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.858 2.768 -1.031 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.091 3.955 -2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.403 3.857 -0.406 1.00 0.00 H new ATOM 926 N ASN A 67 -5.712 2.177 -1.546 1.00 0.00 N ATOM 927 CA ASN A 67 -7.069 2.712 -1.544 1.00 0.00 C ATOM 928 C ASN A 67 -7.769 2.421 -2.868 1.00 0.00 C ATOM 929 O ASN A 67 -8.529 3.246 -3.374 1.00 0.00 O ATOM 930 CB ASN A 67 -7.045 4.220 -1.287 1.00 0.00 C ATOM 931 CG ASN A 67 -7.110 4.555 0.190 1.00 0.00 C ATOM 932 OD1 ASN A 67 -8.090 4.244 0.866 1.00 0.00 O ATOM 933 ND2 ASN A 67 -6.062 5.194 0.698 1.00 0.00 N ATOM 0 H ASN A 67 -5.479 1.616 -0.727 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.625 2.223 -0.744 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.136 4.644 -1.713 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.886 4.687 -1.800 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.049 5.447 1.686 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.271 5.432 0.100 1.00 0.00 H new ATOM 940 N GLY A 68 -7.508 1.242 -3.424 1.00 0.00 N ATOM 941 CA GLY A 68 -8.121 0.863 -4.683 1.00 0.00 C ATOM 942 C GLY A 68 -7.665 1.735 -5.836 1.00 0.00 C ATOM 943 O GLY A 68 -8.371 1.875 -6.833 1.00 0.00 O ATOM 0 H GLY A 68 -6.883 0.542 -3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.881 -0.178 -4.902 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.205 0.927 -4.590 1.00 0.00 H new ATOM 947 N GLU A 69 -6.480 2.323 -5.698 1.00 0.00 N ATOM 948 CA GLU A 69 -5.933 3.188 -6.736 1.00 0.00 C ATOM 949 C GLU A 69 -4.615 2.633 -7.268 1.00 0.00 C ATOM 950 O GLU A 69 -3.860 1.990 -6.539 1.00 0.00 O ATOM 951 CB GLU A 69 -5.720 4.603 -6.193 1.00 0.00 C ATOM 952 CG GLU A 69 -6.987 5.245 -5.653 1.00 0.00 C ATOM 953 CD GLU A 69 -6.707 6.493 -4.839 1.00 0.00 C ATOM 954 OE1 GLU A 69 -5.878 7.315 -5.281 1.00 0.00 O ATOM 955 OE2 GLU A 69 -7.317 6.647 -3.760 1.00 0.00 O ATOM 0 H GLU A 69 -5.882 2.216 -4.879 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.650 3.225 -7.556 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.973 4.570 -5.400 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.315 5.230 -6.987 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.645 5.498 -6.485 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.520 4.524 -5.034 1.00 0.00 H new ATOM 962 N SER A 70 -4.346 2.884 -8.546 1.00 0.00 N ATOM 963 CA SER A 70 -3.123 2.406 -9.178 1.00 0.00 C ATOM 964 C SER A 70 -1.934 3.282 -8.794 1.00 0.00 C ATOM 965 O SER A 70 -1.982 4.506 -8.923 1.00 0.00 O ATOM 966 CB SER A 70 -3.284 2.384 -10.699 1.00 0.00 C ATOM 967 OG SER A 70 -2.461 1.391 -11.285 1.00 0.00 O ATOM 0 H SER A 70 -4.959 3.416 -9.163 1.00 0.00 H new ATOM 0 HA SER A 70 -2.934 1.392 -8.825 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.326 2.194 -10.955 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.028 3.361 -11.109 1.00 0.00 H new ATOM 0 HG SER A 70 -2.584 1.396 -12.257 1.00 0.00 H new ATOM 973 N THR A 71 -0.866 2.646 -8.321 1.00 0.00 N ATOM 974 CA THR A 71 0.335 3.366 -7.917 1.00 0.00 C ATOM 975 C THR A 71 1.381 3.356 -9.025 1.00 0.00 C ATOM 976 O THR A 71 2.504 3.821 -8.834 1.00 0.00 O ATOM 977 CB THR A 71 0.949 2.761 -6.641 1.00 0.00 C ATOM 978 OG1 THR A 71 1.847 3.699 -6.037 1.00 0.00 O ATOM 979 CG2 THR A 71 1.692 1.471 -6.957 1.00 0.00 C ATOM 0 H THR A 71 -0.809 1.634 -8.209 1.00 0.00 H new ATOM 0 HA THR A 71 0.035 4.394 -7.715 1.00 0.00 H new ATOM 0 HB THR A 71 0.140 2.535 -5.947 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.435 4.078 -6.724 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.117 1.062 -6.040 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.000 0.749 -7.390 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.492 1.677 -7.668 1.00 0.00 H new ATOM 987 N GLN A 72 1.005 2.823 -10.183 1.00 0.00 N ATOM 988 CA GLN A 72 1.912 2.753 -11.322 1.00 0.00 C ATOM 989 C GLN A 72 2.385 4.145 -11.728 1.00 0.00 C ATOM 990 O GLN A 72 3.314 4.289 -12.522 1.00 0.00 O ATOM 991 CB GLN A 72 1.227 2.069 -12.506 1.00 0.00 C ATOM 992 CG GLN A 72 1.240 0.551 -12.423 1.00 0.00 C ATOM 993 CD GLN A 72 0.682 -0.106 -13.671 1.00 0.00 C ATOM 994 OE1 GLN A 72 1.397 -0.306 -14.653 1.00 0.00 O ATOM 995 NE2 GLN A 72 -0.601 -0.446 -13.638 1.00 0.00 N ATOM 0 H GLN A 72 0.079 2.433 -10.357 1.00 0.00 H new ATOM 0 HA GLN A 72 2.781 2.166 -11.026 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.194 2.412 -12.565 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.719 2.378 -13.428 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.262 0.208 -12.263 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.658 0.233 -11.558 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.156 -0.261 -12.803 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -1.031 -0.892 -14.448 1.00 0.00 H new ATOM 1004 N GLY A 73 1.739 5.168 -11.177 1.00 0.00 N ATOM 1005 CA GLY A 73 2.108 6.535 -11.494 1.00 0.00 C ATOM 1006 C GLY A 73 2.175 7.418 -10.263 1.00 0.00 C ATOM 1007 O GLY A 73 2.279 8.641 -10.372 1.00 0.00 O ATOM 0 H GLY A 73 0.967 5.074 -10.517 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.077 6.540 -11.994 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.385 6.950 -12.196 1.00 0.00 H new ATOM 1011 N LEU A 74 2.114 6.799 -9.090 1.00 0.00 N ATOM 1012 CA LEU A 74 2.167 7.537 -7.832 1.00 0.00 C ATOM 1013 C LEU A 74 3.518 7.350 -7.148 1.00 0.00 C ATOM 1014 O LEU A 74 3.911 6.230 -6.821 1.00 0.00 O ATOM 1015 CB LEU A 74 1.043 7.078 -6.901 1.00 0.00 C ATOM 1016 CG LEU A 74 -0.379 7.223 -7.444 1.00 0.00 C ATOM 1017 CD1 LEU A 74 -1.398 6.852 -6.378 1.00 0.00 C ATOM 1018 CD2 LEU A 74 -0.618 8.641 -7.942 1.00 0.00 C ATOM 0 H LEU A 74 2.028 5.788 -8.983 1.00 0.00 H new ATOM 0 HA LEU A 74 2.036 8.596 -8.054 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.210 6.030 -6.651 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.115 7.643 -5.971 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.498 6.539 -8.285 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.404 6.961 -6.783 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.241 5.818 -6.069 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.280 7.510 -5.517 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.635 8.726 -8.325 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.480 9.343 -7.120 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.090 8.871 -8.738 1.00 0.00 H new ATOM 1030 N THR A 75 4.224 8.455 -6.931 1.00 0.00 N ATOM 1031 CA THR A 75 5.529 8.414 -6.285 1.00 0.00 C ATOM 1032 C THR A 75 5.393 8.179 -4.785 1.00 0.00 C ATOM 1033 O THR A 75 4.289 7.983 -4.275 1.00 0.00 O ATOM 1034 CB THR A 75 6.314 9.719 -6.519 1.00 0.00 C ATOM 1035 OG1 THR A 75 5.508 10.846 -6.157 1.00 0.00 O ATOM 1036 CG2 THR A 75 6.741 9.840 -7.974 1.00 0.00 C ATOM 0 H THR A 75 3.913 9.390 -7.194 1.00 0.00 H new ATOM 0 HA THR A 75 6.076 7.584 -6.732 1.00 0.00 H new ATOM 0 HB THR A 75 7.208 9.697 -5.896 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.014 11.672 -6.307 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.293 10.769 -8.115 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.378 8.996 -8.238 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.858 9.842 -8.613 1.00 0.00 H new ATOM 1044 N HIS A 76 6.521 8.200 -4.082 1.00 0.00 N ATOM 1045 CA HIS A 76 6.527 7.990 -2.639 1.00 0.00 C ATOM 1046 C HIS A 76 5.722 9.074 -1.929 1.00 0.00 C ATOM 1047 O HIS A 76 5.136 8.836 -0.873 1.00 0.00 O ATOM 1048 CB HIS A 76 7.961 7.974 -2.110 1.00 0.00 C ATOM 1049 CG HIS A 76 8.053 8.131 -0.623 1.00 0.00 C ATOM 1050 ND1 HIS A 76 8.816 9.105 -0.015 1.00 0.00 N ATOM 1051 CD2 HIS A 76 7.471 7.431 0.379 1.00 0.00 C ATOM 1052 CE1 HIS A 76 8.701 8.997 1.297 1.00 0.00 C ATOM 1053 NE2 HIS A 76 7.890 7.989 1.562 1.00 0.00 N ATOM 0 H HIS A 76 7.443 8.360 -4.488 1.00 0.00 H new ATOM 0 HA HIS A 76 6.063 7.025 -2.435 1.00 0.00 H new ATOM 0 HB2 HIS A 76 8.435 7.036 -2.398 1.00 0.00 H new ATOM 0 HB3 HIS A 76 8.525 8.776 -2.587 1.00 0.00 H new ATOM 0 HD2 HIS A 76 6.802 6.590 0.269 1.00 0.00 H new ATOM 0 HE1 HIS A 76 9.187 9.626 2.028 1.00 0.00 H new ATOM 0 HE2 HIS A 76 7.619 7.676 2.494 1.00 0.00 H new ATOM 1062 N ALA A 77 5.699 10.267 -2.515 1.00 0.00 N ATOM 1063 CA ALA A 77 4.966 11.387 -1.939 1.00 0.00 C ATOM 1064 C ALA A 77 3.502 11.362 -2.366 1.00 0.00 C ATOM 1065 O ALA A 77 2.622 11.797 -1.622 1.00 0.00 O ATOM 1066 CB ALA A 77 5.612 12.704 -2.342 1.00 0.00 C ATOM 0 H ALA A 77 6.180 10.482 -3.388 1.00 0.00 H new ATOM 0 HA ALA A 77 5.003 11.294 -0.854 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.054 13.532 -1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.641 12.730 -1.982 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.605 12.795 -3.428 1.00 0.00 H new ATOM 1072 N GLN A 78 3.249 10.852 -3.567 1.00 0.00 N ATOM 1073 CA GLN A 78 1.890 10.773 -4.092 1.00 0.00 C ATOM 1074 C GLN A 78 1.092 9.689 -3.374 1.00 0.00 C ATOM 1075 O GLN A 78 -0.093 9.862 -3.092 1.00 0.00 O ATOM 1076 CB GLN A 78 1.918 10.492 -5.595 1.00 0.00 C ATOM 1077 CG GLN A 78 2.261 11.711 -6.435 1.00 0.00 C ATOM 1078 CD GLN A 78 2.403 11.383 -7.909 1.00 0.00 C ATOM 1079 OE1 GLN A 78 1.427 11.410 -8.659 1.00 0.00 O ATOM 1080 NE2 GLN A 78 3.622 11.071 -8.331 1.00 0.00 N ATOM 0 H GLN A 78 3.966 10.488 -4.194 1.00 0.00 H new ATOM 0 HA GLN A 78 1.403 11.732 -3.918 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.646 9.706 -5.796 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.944 10.111 -5.903 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.485 12.465 -6.308 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.192 12.147 -6.072 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.402 11.061 -7.674 1.00 0.00 H new ATOM 0 HE22 GLN A 78 3.779 10.841 -9.312 1.00 0.00 H new ATOM 1089 N ALA A 79 1.750 8.571 -3.083 1.00 0.00 N ATOM 1090 CA ALA A 79 1.102 7.460 -2.398 1.00 0.00 C ATOM 1091 C ALA A 79 0.656 7.865 -0.996 1.00 0.00 C ATOM 1092 O ALA A 79 -0.528 7.796 -0.666 1.00 0.00 O ATOM 1093 CB ALA A 79 2.038 6.263 -2.331 1.00 0.00 C ATOM 0 H ALA A 79 2.731 8.411 -3.311 1.00 0.00 H new ATOM 0 HA ALA A 79 0.215 7.182 -2.967 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.541 5.441 -1.817 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.303 5.952 -3.341 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.942 6.538 -1.787 1.00 0.00 H new ATOM 1099 N VAL A 80 1.613 8.285 -0.175 1.00 0.00 N ATOM 1100 CA VAL A 80 1.319 8.701 1.192 1.00 0.00 C ATOM 1101 C VAL A 80 0.081 9.589 1.241 1.00 0.00 C ATOM 1102 O VAL A 80 -0.806 9.388 2.071 1.00 0.00 O ATOM 1103 CB VAL A 80 2.506 9.459 1.816 1.00 0.00 C ATOM 1104 CG1 VAL A 80 2.073 10.178 3.084 1.00 0.00 C ATOM 1105 CG2 VAL A 80 3.656 8.505 2.100 1.00 0.00 C ATOM 0 H VAL A 80 2.598 8.346 -0.432 1.00 0.00 H new ATOM 0 HA VAL A 80 1.135 7.793 1.767 1.00 0.00 H new ATOM 0 HB VAL A 80 2.852 10.207 1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.925 10.708 3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.284 10.891 2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.700 9.451 3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.486 9.057 2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.325 7.732 2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.982 8.041 1.169 1.00 0.00 H new ATOM 1115 N GLU A 81 0.027 10.572 0.347 1.00 0.00 N ATOM 1116 CA GLU A 81 -1.103 11.491 0.290 1.00 0.00 C ATOM 1117 C GLU A 81 -2.425 10.729 0.297 1.00 0.00 C ATOM 1118 O GLU A 81 -3.267 10.933 1.172 1.00 0.00 O ATOM 1119 CB GLU A 81 -1.014 12.367 -0.962 1.00 0.00 C ATOM 1120 CG GLU A 81 -2.197 13.305 -1.134 1.00 0.00 C ATOM 1121 CD GLU A 81 -2.031 14.601 -0.365 1.00 0.00 C ATOM 1122 OE1 GLU A 81 -0.953 15.222 -0.475 1.00 0.00 O ATOM 1123 OE2 GLU A 81 -2.979 14.994 0.346 1.00 0.00 O ATOM 0 H GLU A 81 0.753 10.752 -0.347 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.065 12.128 1.174 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.098 12.956 -0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.939 11.725 -1.840 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.327 13.529 -2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.105 12.803 -0.801 1.00 0.00 H new ATOM 1130 N ARG A 82 -2.600 9.850 -0.684 1.00 0.00 N ATOM 1131 CA ARG A 82 -3.820 9.059 -0.793 1.00 0.00 C ATOM 1132 C ARG A 82 -4.170 8.414 0.545 1.00 0.00 C ATOM 1133 O ARG A 82 -5.343 8.308 0.906 1.00 0.00 O ATOM 1134 CB ARG A 82 -3.659 7.979 -1.865 1.00 0.00 C ATOM 1135 CG ARG A 82 -3.449 8.536 -3.263 1.00 0.00 C ATOM 1136 CD ARG A 82 -4.600 9.437 -3.682 1.00 0.00 C ATOM 1137 NE ARG A 82 -4.450 10.794 -3.164 1.00 0.00 N ATOM 1138 CZ ARG A 82 -5.247 11.802 -3.500 1.00 0.00 C ATOM 1139 NH1 ARG A 82 -6.246 11.607 -4.350 1.00 0.00 N ATOM 1140 NH2 ARG A 82 -5.047 13.009 -2.986 1.00 0.00 N ATOM 0 H ARG A 82 -1.912 9.667 -1.415 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.632 9.727 -1.079 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.812 7.344 -1.605 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.545 7.344 -1.865 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.515 9.098 -3.296 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.352 7.714 -3.973 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.658 9.469 -4.770 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.539 9.015 -3.325 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.691 10.978 -2.508 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.404 10.681 -4.748 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -6.856 12.383 -4.606 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.280 13.164 -2.332 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -5.660 13.782 -3.245 1.00 0.00 H new ATOM 1154 N ILE A 83 -3.146 7.985 1.275 1.00 0.00 N ATOM 1155 CA ILE A 83 -3.346 7.351 2.573 1.00 0.00 C ATOM 1156 C ILE A 83 -3.968 8.323 3.569 1.00 0.00 C ATOM 1157 O ILE A 83 -5.040 8.065 4.118 1.00 0.00 O ATOM 1158 CB ILE A 83 -2.021 6.820 3.150 1.00 0.00 C ATOM 1159 CG1 ILE A 83 -1.216 6.104 2.063 1.00 0.00 C ATOM 1160 CG2 ILE A 83 -2.289 5.885 4.319 1.00 0.00 C ATOM 1161 CD1 ILE A 83 -0.015 5.354 2.595 1.00 0.00 C ATOM 0 H ILE A 83 -2.170 8.065 0.990 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.025 6.513 2.414 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.436 7.665 3.512 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.869 5.405 1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.881 6.837 1.329 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.342 5.518 4.716 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.826 6.424 5.100 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.891 5.042 3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.508 4.871 1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.659 6.052 3.092 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.345 4.598 3.307 1.00 0.00 H new ATOM 1173 N ARG A 84 -3.290 9.443 3.797 1.00 0.00 N ATOM 1174 CA ARG A 84 -3.776 10.455 4.727 1.00 0.00 C ATOM 1175 C ARG A 84 -5.174 10.926 4.336 1.00 0.00 C ATOM 1176 O ARG A 84 -6.083 10.959 5.164 1.00 0.00 O ATOM 1177 CB ARG A 84 -2.817 11.646 4.766 1.00 0.00 C ATOM 1178 CG ARG A 84 -1.499 11.343 5.460 1.00 0.00 C ATOM 1179 CD ARG A 84 -1.655 11.329 6.972 1.00 0.00 C ATOM 1180 NE ARG A 84 -1.751 12.677 7.525 1.00 0.00 N ATOM 1181 CZ ARG A 84 -0.712 13.493 7.658 1.00 0.00 C ATOM 1182 NH1 ARG A 84 0.497 13.099 7.280 1.00 0.00 N ATOM 1183 NH2 ARG A 84 -0.879 14.706 8.170 1.00 0.00 N ATOM 0 H ARG A 84 -2.402 9.673 3.350 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.827 10.006 5.719 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.614 11.972 3.746 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -3.304 12.477 5.276 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.123 10.377 5.123 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.757 12.090 5.177 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.548 10.763 7.239 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.805 10.813 7.419 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.667 13.010 7.826 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.630 12.168 6.886 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.294 13.728 7.383 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.807 15.013 8.462 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.080 15.331 8.271 1.00 0.00 H new ATOM 1197 N ALA A 85 -5.336 11.290 3.068 1.00 0.00 N ATOM 1198 CA ALA A 85 -6.622 11.759 2.566 1.00 0.00 C ATOM 1199 C ALA A 85 -7.663 10.644 2.599 1.00 0.00 C ATOM 1200 O ALA A 85 -8.865 10.904 2.591 1.00 0.00 O ATOM 1201 CB ALA A 85 -6.471 12.301 1.153 1.00 0.00 C ATOM 0 H ALA A 85 -4.593 11.269 2.370 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.967 12.563 3.216 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.439 12.648 0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.766 13.132 1.156 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.100 11.512 0.498 1.00 0.00 H new ATOM 1207 N GLY A 86 -7.191 9.401 2.635 1.00 0.00 N ATOM 1208 CA GLY A 86 -8.095 8.266 2.667 1.00 0.00 C ATOM 1209 C GLY A 86 -9.220 8.449 3.666 1.00 0.00 C ATOM 1210 O GLY A 86 -10.346 8.014 3.429 1.00 0.00 O ATOM 0 H GLY A 86 -6.200 9.160 2.643 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.517 8.113 1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.534 7.366 2.917 1.00 0.00 H new ATOM 1214 N GLY A 87 -8.915 9.094 4.788 1.00 0.00 N ATOM 1215 CA GLY A 87 -9.919 9.320 5.811 1.00 0.00 C ATOM 1216 C GLY A 87 -9.578 8.637 7.120 1.00 0.00 C ATOM 1217 O GLY A 87 -8.419 8.329 7.401 1.00 0.00 O ATOM 0 H GLY A 87 -7.990 9.464 5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.025 10.391 5.981 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.883 8.957 5.456 1.00 0.00 H new ATOM 1221 N PRO A 88 -10.603 8.391 7.949 1.00 0.00 N ATOM 1222 CA PRO A 88 -10.430 7.738 9.250 1.00 0.00 C ATOM 1223 C PRO A 88 -10.058 6.266 9.115 1.00 0.00 C ATOM 1224 O PRO A 88 -9.677 5.621 10.092 1.00 0.00 O ATOM 1225 CB PRO A 88 -11.806 7.884 9.906 1.00 0.00 C ATOM 1226 CG PRO A 88 -12.757 8.007 8.766 1.00 0.00 C ATOM 1227 CD PRO A 88 -12.010 8.730 7.679 1.00 0.00 C ATOM 0 HA PRO A 88 -9.619 8.184 9.825 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -12.042 7.020 10.527 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.846 8.761 10.552 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -13.087 7.026 8.426 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.649 8.560 9.060 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -12.321 8.398 6.688 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.180 9.806 7.722 1.00 0.00 H new ATOM 1235 N GLN A 89 -10.170 5.740 7.900 1.00 0.00 N ATOM 1236 CA GLN A 89 -9.845 4.343 7.639 1.00 0.00 C ATOM 1237 C GLN A 89 -8.758 4.227 6.576 1.00 0.00 C ATOM 1238 O GLN A 89 -8.815 4.889 5.539 1.00 0.00 O ATOM 1239 CB GLN A 89 -11.095 3.582 7.193 1.00 0.00 C ATOM 1240 CG GLN A 89 -12.232 3.635 8.200 1.00 0.00 C ATOM 1241 CD GLN A 89 -13.252 2.534 7.987 1.00 0.00 C ATOM 1242 OE1 GLN A 89 -13.341 1.955 6.904 1.00 0.00 O ATOM 1243 NE2 GLN A 89 -14.028 2.238 9.023 1.00 0.00 N ATOM 0 H GLN A 89 -10.483 6.260 7.081 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.471 3.904 8.564 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.441 3.993 6.245 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.830 2.540 7.011 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.824 3.557 9.208 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.728 4.603 8.131 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -13.920 2.744 9.902 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.732 1.505 8.940 1.00 0.00 H new ATOM 1252 N LEU A 90 -7.767 3.381 6.840 1.00 0.00 N ATOM 1253 CA LEU A 90 -6.665 3.178 5.906 1.00 0.00 C ATOM 1254 C LEU A 90 -6.901 1.939 5.048 1.00 0.00 C ATOM 1255 O LEU A 90 -7.405 0.924 5.529 1.00 0.00 O ATOM 1256 CB LEU A 90 -5.345 3.042 6.667 1.00 0.00 C ATOM 1257 CG LEU A 90 -4.259 2.210 5.983 1.00 0.00 C ATOM 1258 CD1 LEU A 90 -2.878 2.690 6.400 1.00 0.00 C ATOM 1259 CD2 LEU A 90 -4.434 0.734 6.308 1.00 0.00 C ATOM 0 H LEU A 90 -7.705 2.825 7.693 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.611 4.047 5.250 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.949 4.041 6.849 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.554 2.600 7.641 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.355 2.337 4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.118 2.087 5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.755 3.735 6.115 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.770 2.593 7.480 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.653 0.157 5.813 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.365 0.588 7.386 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.410 0.398 5.958 1.00 0.00 H new ATOM 1271 N HIS A 91 -6.530 2.029 3.774 1.00 0.00 N ATOM 1272 CA HIS A 91 -6.699 0.914 2.849 1.00 0.00 C ATOM 1273 C HIS A 91 -5.517 0.822 1.888 1.00 0.00 C ATOM 1274 O HIS A 91 -5.354 1.667 1.006 1.00 0.00 O ATOM 1275 CB HIS A 91 -8.000 1.069 2.062 1.00 0.00 C ATOM 1276 CG HIS A 91 -8.468 -0.202 1.422 1.00 0.00 C ATOM 1277 ND1 HIS A 91 -8.315 -0.468 0.078 1.00 0.00 N ATOM 1278 CD2 HIS A 91 -9.088 -1.283 1.950 1.00 0.00 C ATOM 1279 CE1 HIS A 91 -8.821 -1.658 -0.193 1.00 0.00 C ATOM 1280 NE2 HIS A 91 -9.296 -2.174 0.926 1.00 0.00 N ATOM 0 H HIS A 91 -6.111 2.862 3.360 1.00 0.00 H new ATOM 0 HA HIS A 91 -6.744 -0.006 3.432 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -8.778 1.437 2.731 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.860 1.825 1.289 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.367 -1.419 2.984 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -8.843 -2.129 -1.165 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.744 -3.086 1.015 1.00 0.00 H new ATOM 1289 N LEU A 92 -4.695 -0.206 2.065 1.00 0.00 N ATOM 1290 CA LEU A 92 -3.528 -0.408 1.214 1.00 0.00 C ATOM 1291 C LEU A 92 -3.481 -1.837 0.683 1.00 0.00 C ATOM 1292 O LEU A 92 -3.807 -2.787 1.396 1.00 0.00 O ATOM 1293 CB LEU A 92 -2.247 -0.099 1.991 1.00 0.00 C ATOM 1294 CG LEU A 92 -2.258 1.186 2.820 1.00 0.00 C ATOM 1295 CD1 LEU A 92 -0.962 1.328 3.602 1.00 0.00 C ATOM 1296 CD2 LEU A 92 -2.479 2.397 1.925 1.00 0.00 C ATOM 0 H LEU A 92 -4.815 -0.913 2.790 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.606 0.272 0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.040 -0.936 2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.421 -0.043 1.282 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.083 1.130 3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.988 2.248 4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.846 0.476 4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.121 1.362 2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.484 3.302 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.676 2.457 1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.435 2.300 1.411 1.00 0.00 H new ATOM 1308 N VAL A 93 -3.073 -1.983 -0.573 1.00 0.00 N ATOM 1309 CA VAL A 93 -2.980 -3.297 -1.199 1.00 0.00 C ATOM 1310 C VAL A 93 -1.570 -3.864 -1.081 1.00 0.00 C ATOM 1311 O VAL A 93 -0.629 -3.346 -1.685 1.00 0.00 O ATOM 1312 CB VAL A 93 -3.375 -3.239 -2.687 1.00 0.00 C ATOM 1313 CG1 VAL A 93 -3.551 -4.642 -3.248 1.00 0.00 C ATOM 1314 CG2 VAL A 93 -4.644 -2.420 -2.869 1.00 0.00 C ATOM 0 H VAL A 93 -2.801 -1.208 -1.178 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.676 -3.949 -0.671 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.572 -2.751 -3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.830 -4.581 -4.300 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.615 -5.192 -3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.334 -5.160 -2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.909 -2.389 -3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.456 -2.878 -2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.477 -1.405 -2.507 1.00 0.00 H new ATOM 1324 N ILE A 94 -1.430 -4.930 -0.300 1.00 0.00 N ATOM 1325 CA ILE A 94 -0.134 -5.568 -0.104 1.00 0.00 C ATOM 1326 C ILE A 94 -0.158 -7.018 -0.577 1.00 0.00 C ATOM 1327 O ILE A 94 -1.051 -7.784 -0.215 1.00 0.00 O ATOM 1328 CB ILE A 94 0.295 -5.529 1.374 1.00 0.00 C ATOM 1329 CG1 ILE A 94 0.515 -4.083 1.826 1.00 0.00 C ATOM 1330 CG2 ILE A 94 1.558 -6.352 1.582 1.00 0.00 C ATOM 1331 CD1 ILE A 94 1.573 -3.355 1.028 1.00 0.00 C ATOM 0 H ILE A 94 -2.198 -5.370 0.207 1.00 0.00 H new ATOM 0 HA ILE A 94 0.587 -5.006 -0.698 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.501 -5.963 1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.426 -3.539 1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.798 -4.079 2.879 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.848 -6.314 2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.370 -7.386 1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.362 -5.946 0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.675 -2.337 1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.526 -3.876 1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.282 -3.327 -0.022 1.00 0.00 H new ATOM 1343 N ARG A 95 0.829 -7.387 -1.385 1.00 0.00 N ATOM 1344 CA ARG A 95 0.922 -8.746 -1.907 1.00 0.00 C ATOM 1345 C ARG A 95 2.292 -9.349 -1.611 1.00 0.00 C ATOM 1346 O ARG A 95 3.266 -9.075 -2.311 1.00 0.00 O ATOM 1347 CB ARG A 95 0.664 -8.754 -3.414 1.00 0.00 C ATOM 1348 CG ARG A 95 0.976 -10.086 -4.078 1.00 0.00 C ATOM 1349 CD ARG A 95 1.062 -9.948 -5.590 1.00 0.00 C ATOM 1350 NE ARG A 95 0.791 -11.211 -6.271 1.00 0.00 N ATOM 1351 CZ ARG A 95 0.365 -11.293 -7.526 1.00 0.00 C ATOM 1352 NH1 ARG A 95 0.161 -10.190 -8.234 1.00 0.00 N ATOM 1353 NH2 ARG A 95 0.141 -12.479 -8.077 1.00 0.00 N ATOM 0 H ARG A 95 1.576 -6.765 -1.693 1.00 0.00 H new ATOM 0 HA ARG A 95 0.163 -9.352 -1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.381 -8.502 -3.597 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.266 -7.975 -3.881 1.00 0.00 H new ATOM 0 HG2 ARG A 95 1.919 -10.474 -3.693 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.204 -10.812 -3.821 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.350 -9.195 -5.926 1.00 0.00 H new ATOM 0 HD3 ARG A 95 2.055 -9.593 -5.866 1.00 0.00 H new ATOM 0 HE ARG A 95 0.937 -12.078 -5.754 1.00 0.00 H new ATOM 0 HH11 ARG A 95 0.331 -9.276 -7.815 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -0.166 -10.256 -9.198 1.00 0.00 H new ATOM 0 HH21 ARG A 95 0.296 -13.330 -7.536 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -0.186 -12.540 -9.041 1.00 0.00 H new ATOM 1367 N ARG A 96 2.357 -10.172 -0.569 1.00 0.00 N ATOM 1368 CA ARG A 96 3.608 -10.813 -0.180 1.00 0.00 C ATOM 1369 C ARG A 96 4.231 -11.551 -1.361 1.00 0.00 C ATOM 1370 O ARG A 96 3.546 -12.201 -2.151 1.00 0.00 O ATOM 1371 CB ARG A 96 3.368 -11.788 0.975 1.00 0.00 C ATOM 1372 CG ARG A 96 4.638 -12.442 1.493 1.00 0.00 C ATOM 1373 CD ARG A 96 4.327 -13.567 2.468 1.00 0.00 C ATOM 1374 NE ARG A 96 5.415 -13.786 3.417 1.00 0.00 N ATOM 1375 CZ ARG A 96 5.367 -14.681 4.397 1.00 0.00 C ATOM 1376 NH1 ARG A 96 4.290 -15.438 4.556 1.00 0.00 N ATOM 1377 NH2 ARG A 96 6.398 -14.821 5.221 1.00 0.00 N ATOM 0 H ARG A 96 1.559 -10.410 0.020 1.00 0.00 H new ATOM 0 HA ARG A 96 4.299 -10.036 0.146 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.883 -11.256 1.794 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.677 -12.565 0.646 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.215 -12.834 0.655 1.00 0.00 H new ATOM 0 HG3 ARG A 96 5.259 -11.694 1.985 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.413 -13.332 3.013 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.140 -14.486 1.913 1.00 0.00 H new ATOM 0 HE ARG A 96 6.258 -13.220 3.322 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.496 -15.334 3.925 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.256 -16.125 5.310 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.228 -14.241 5.102 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.360 -15.509 5.973 1.00 0.00 H new ATOM 1391 N PRO A 97 5.563 -11.449 -1.487 1.00 0.00 N ATOM 1392 CA PRO A 97 6.308 -12.099 -2.568 1.00 0.00 C ATOM 1393 C PRO A 97 6.340 -13.617 -2.419 1.00 0.00 C ATOM 1394 O PRO A 97 5.935 -14.158 -1.390 1.00 0.00 O ATOM 1395 CB PRO A 97 7.717 -11.518 -2.428 1.00 0.00 C ATOM 1396 CG PRO A 97 7.823 -11.123 -0.995 1.00 0.00 C ATOM 1397 CD PRO A 97 6.443 -10.690 -0.582 1.00 0.00 C ATOM 0 HA PRO A 97 5.853 -11.919 -3.542 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.477 -12.253 -2.693 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.859 -10.661 -3.086 1.00 0.00 H new ATOM 0 HG2 PRO A 97 8.169 -11.957 -0.385 1.00 0.00 H new ATOM 0 HG3 PRO A 97 8.541 -10.313 -0.865 1.00 0.00 H new ATOM 0 HD2 PRO A 97 6.244 -10.926 0.463 1.00 0.00 H new ATOM 0 HD3 PRO A 97 6.308 -9.615 -0.698 1.00 0.00 H new ATOM 1405 N LEU A 98 6.826 -14.298 -3.451 1.00 0.00 N ATOM 1406 CA LEU A 98 6.912 -15.754 -3.435 1.00 0.00 C ATOM 1407 C LEU A 98 8.302 -16.212 -3.005 1.00 0.00 C ATOM 1408 O LEU A 98 9.246 -16.185 -3.794 1.00 0.00 O ATOM 1409 CB LEU A 98 6.580 -16.320 -4.816 1.00 0.00 C ATOM 1410 CG LEU A 98 6.313 -17.824 -4.879 1.00 0.00 C ATOM 1411 CD1 LEU A 98 5.591 -18.185 -6.168 1.00 0.00 C ATOM 1412 CD2 LEU A 98 7.616 -18.602 -4.760 1.00 0.00 C ATOM 0 H LEU A 98 7.167 -13.865 -4.309 1.00 0.00 H new ATOM 0 HA LEU A 98 6.187 -16.128 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.702 -15.799 -5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.406 -16.089 -5.489 1.00 0.00 H new ATOM 0 HG LEU A 98 5.672 -18.095 -4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.410 -19.259 -6.195 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.639 -17.655 -6.213 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.206 -17.899 -7.022 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.407 -19.671 -4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.281 -18.326 -5.579 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.095 -18.367 -3.809 1.00 0.00 H new ATOM 1424 N SER A 99 8.419 -16.635 -1.751 1.00 0.00 N ATOM 1425 CA SER A 99 9.693 -17.099 -1.216 1.00 0.00 C ATOM 1426 C SER A 99 9.517 -18.403 -0.444 1.00 0.00 C ATOM 1427 O SER A 99 8.409 -18.754 -0.042 1.00 0.00 O ATOM 1428 CB SER A 99 10.306 -16.033 -0.305 1.00 0.00 C ATOM 1429 OG SER A 99 9.586 -15.925 0.910 1.00 0.00 O ATOM 0 H SER A 99 7.646 -16.666 -1.086 1.00 0.00 H new ATOM 0 HA SER A 99 10.365 -17.282 -2.054 1.00 0.00 H new ATOM 0 HB2 SER A 99 11.345 -16.284 -0.094 1.00 0.00 H new ATOM 0 HB3 SER A 99 10.308 -15.071 -0.817 1.00 0.00 H new ATOM 0 HG SER A 99 9.999 -15.239 1.475 1.00 0.00 H new ATOM 1435 N GLY A 100 10.620 -19.117 -0.241 1.00 0.00 N ATOM 1436 CA GLY A 100 10.567 -20.375 0.481 1.00 0.00 C ATOM 1437 C GLY A 100 10.953 -20.223 1.939 1.00 0.00 C ATOM 1438 O GLY A 100 11.796 -19.401 2.298 1.00 0.00 O ATOM 0 H GLY A 100 11.549 -18.847 -0.564 1.00 0.00 H new ATOM 0 HA2 GLY A 100 9.559 -20.786 0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 100 11.235 -21.092 0.004 1.00 0.00 H new ATOM 1442 N PRO A 101 10.325 -21.028 2.809 1.00 0.00 N ATOM 1443 CA PRO A 101 10.590 -20.997 4.250 1.00 0.00 C ATOM 1444 C PRO A 101 11.973 -21.538 4.597 1.00 0.00 C ATOM 1445 O PRO A 101 12.384 -22.585 4.096 1.00 0.00 O ATOM 1446 CB PRO A 101 9.501 -21.903 4.831 1.00 0.00 C ATOM 1447 CG PRO A 101 9.143 -22.826 3.718 1.00 0.00 C ATOM 1448 CD PRO A 101 9.308 -22.032 2.452 1.00 0.00 C ATOM 0 HA PRO A 101 10.574 -19.981 4.645 1.00 0.00 H new ATOM 0 HB2 PRO A 101 9.865 -22.452 5.699 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.637 -21.324 5.159 1.00 0.00 H new ATOM 0 HG2 PRO A 101 9.790 -23.703 3.715 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.119 -23.185 3.823 1.00 0.00 H new ATOM 0 HD2 PRO A 101 9.637 -22.660 1.624 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.372 -21.565 2.146 1.00 0.00 H new ATOM 1456 N SER A 102 12.686 -20.819 5.457 1.00 0.00 N ATOM 1457 CA SER A 102 14.025 -21.225 5.868 1.00 0.00 C ATOM 1458 C SER A 102 13.979 -22.534 6.651 1.00 0.00 C ATOM 1459 O SER A 102 13.067 -22.763 7.445 1.00 0.00 O ATOM 1460 CB SER A 102 14.674 -20.132 6.719 1.00 0.00 C ATOM 1461 OG SER A 102 14.048 -20.033 7.987 1.00 0.00 O ATOM 0 H SER A 102 12.359 -19.952 5.883 1.00 0.00 H new ATOM 0 HA SER A 102 14.623 -21.379 4.970 1.00 0.00 H new ATOM 0 HB2 SER A 102 15.734 -20.350 6.849 1.00 0.00 H new ATOM 0 HB3 SER A 102 14.606 -19.175 6.201 1.00 0.00 H new ATOM 0 HG SER A 102 14.482 -19.329 8.512 1.00 0.00 H new ATOM 1467 N SER A 103 14.970 -23.390 6.419 1.00 0.00 N ATOM 1468 CA SER A 103 15.041 -24.678 7.099 1.00 0.00 C ATOM 1469 C SER A 103 16.430 -24.905 7.688 1.00 0.00 C ATOM 1470 O SER A 103 17.405 -25.081 6.959 1.00 0.00 O ATOM 1471 CB SER A 103 14.696 -25.810 6.129 1.00 0.00 C ATOM 1472 OG SER A 103 13.435 -25.592 5.519 1.00 0.00 O ATOM 0 H SER A 103 15.734 -23.215 5.766 1.00 0.00 H new ATOM 0 HA SER A 103 14.316 -24.672 7.913 1.00 0.00 H new ATOM 0 HB2 SER A 103 15.467 -25.883 5.362 1.00 0.00 H new ATOM 0 HB3 SER A 103 14.686 -26.760 6.663 1.00 0.00 H new ATOM 0 HG SER A 103 13.238 -26.328 4.903 1.00 0.00 H new ATOM 1478 N GLY A 104 16.511 -24.899 9.015 1.00 0.00 N ATOM 1479 CA GLY A 104 17.784 -25.104 9.682 1.00 0.00 C ATOM 1480 C GLY A 104 18.940 -24.472 8.932 1.00 0.00 C ATOM 1481 O GLY A 104 19.577 -25.119 8.101 1.00 0.00 O ATOM 0 H GLY A 104 15.718 -24.756 9.640 1.00 0.00 H new ATOM 0 HA2 GLY A 104 17.735 -24.686 10.687 1.00 0.00 H new ATOM 0 HA3 GLY A 104 17.966 -26.173 9.790 1.00 0.00 H new TER 1485 GLY A 104