USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 684 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 67 THR OG1 : rot 71:sc= 0.501 USER MOD Set 1.2: A 70 SER OG : rot 180:sc= 0.447 USER MOD Set 2.1: A 20 GLN : amide:sc= 0.534 K(o=1.3,f=-1.2) USER MOD Set 2.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 83 GLN : amide:sc= 0.738 K(o=1.3,f=-1.2) USER MOD Set 3.1: A 12 HIS : no HE2:sc= 0.502 K(o=2.4,f=-4.6) USER MOD Set 3.2: A 28 LYS NZ :NH3+ -178:sc= 1.93 (180deg=0.914) USER MOD Set 4.1: A 10 THR OG1 : rot -160:sc= -0.012 USER MOD Set 4.2: A 30 LYS NZ :NH3+ -105:sc= 0.175 (180deg=-0.29) USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0045 (180deg=-0.284) USER MOD Single : A 1 MET N :NH3+ -140:sc= 0.149 (180deg=-0.0996) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -150:sc= 0.839 (180deg=-0.64!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0.0831 X(o=0.083,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0.578 K(o=0.58,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 31 LYS NZ :NH3+ -111:sc= 0.673 (180deg=-0.767!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.352 X(o=-0.35,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 76:sc= 0.445 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -119:sc= 0 (180deg=-0.227) USER MOD Single : A 51 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.19) USER MOD Single : A 60 GLN : amide:sc= -0.193 K(o=-0.19,f=-1.7!) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 65 ASN : amide:sc=-0.00463 X(o=-0.0046,f=-0.13) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -162:sc= -0.0496 (180deg=-0.476) USER MOD Single : A 78 THR OG1 : rot 55:sc= 0.277 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 51:sc= 0.162 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.453 -2.566 -16.796 1.00 0.00 N ATOM 2 CA MET A 1 4.786 -3.177 -15.611 1.00 0.00 C ATOM 3 C MET A 1 3.279 -3.092 -15.770 1.00 0.00 C ATOM 4 O MET A 1 2.810 -2.732 -16.844 1.00 0.00 O ATOM 5 CB MET A 1 5.291 -2.500 -14.309 1.00 0.00 C ATOM 6 CG MET A 1 6.796 -2.700 -14.027 1.00 0.00 C ATOM 7 SD MET A 1 7.351 -1.919 -12.480 1.00 0.00 S ATOM 8 CE MET A 1 6.586 -3.090 -11.321 1.00 0.00 C ATOM 0 H1 MET A 1 6.279 -3.139 -17.063 1.00 0.00 H new ATOM 0 H2 MET A 1 4.784 -2.531 -17.591 1.00 0.00 H new ATOM 0 H3 MET A 1 5.762 -1.601 -16.561 1.00 0.00 H new ATOM 0 HA MET A 1 5.044 -4.234 -15.540 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.084 -1.431 -14.366 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.721 -2.891 -13.466 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.011 -3.768 -13.984 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.371 -2.292 -14.858 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.030 -2.966 -10.333 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.514 -2.898 -11.264 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.754 -4.109 -11.669 1.00 0.00 H new ATOM 20 N SER A 2 2.486 -3.453 -14.740 1.00 0.00 N ATOM 21 CA SER A 2 1.031 -3.628 -14.820 1.00 0.00 C ATOM 22 C SER A 2 0.614 -4.653 -15.870 1.00 0.00 C ATOM 23 O SER A 2 -0.009 -4.334 -16.878 1.00 0.00 O ATOM 24 CB SER A 2 0.228 -2.308 -14.990 1.00 0.00 C ATOM 25 OG SER A 2 0.596 -1.361 -13.981 1.00 0.00 O ATOM 0 H SER A 2 2.855 -3.634 -13.807 1.00 0.00 H new ATOM 0 HA SER A 2 0.765 -4.020 -13.838 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.415 -1.887 -15.978 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.840 -2.515 -14.929 1.00 0.00 H new ATOM 0 HG SER A 2 0.082 -0.536 -14.104 1.00 0.00 H new ATOM 31 N ASP A 3 1.037 -5.917 -15.671 1.00 0.00 N ATOM 32 CA ASP A 3 1.332 -6.801 -16.782 1.00 0.00 C ATOM 33 C ASP A 3 1.461 -8.239 -16.265 1.00 0.00 C ATOM 34 O ASP A 3 0.459 -8.914 -16.058 1.00 0.00 O ATOM 35 CB ASP A 3 2.641 -6.233 -17.416 1.00 0.00 C ATOM 36 CG ASP A 3 3.221 -6.995 -18.577 1.00 0.00 C ATOM 37 OD1 ASP A 3 2.512 -7.754 -19.278 1.00 0.00 O ATOM 38 OD2 ASP A 3 4.446 -6.830 -18.803 1.00 0.00 O ATOM 0 H ASP A 3 1.177 -6.334 -14.751 1.00 0.00 H new ATOM 0 HA ASP A 3 0.550 -6.840 -17.540 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.444 -5.213 -17.744 1.00 0.00 H new ATOM 0 HB3 ASP A 3 3.399 -6.176 -16.635 1.00 0.00 H new ATOM 43 N GLU A 4 2.725 -8.675 -16.050 1.00 0.00 N ATOM 44 CA GLU A 4 3.204 -9.937 -15.504 1.00 0.00 C ATOM 45 C GLU A 4 3.815 -10.865 -16.550 1.00 0.00 C ATOM 46 O GLU A 4 3.171 -11.299 -17.507 1.00 0.00 O ATOM 47 CB GLU A 4 2.275 -10.701 -14.527 1.00 0.00 C ATOM 48 CG GLU A 4 2.946 -11.947 -13.893 1.00 0.00 C ATOM 49 CD GLU A 4 2.397 -12.279 -12.520 1.00 0.00 C ATOM 50 OE1 GLU A 4 2.727 -11.514 -11.576 1.00 0.00 O ATOM 51 OE2 GLU A 4 1.693 -13.305 -12.348 1.00 0.00 O ATOM 0 H GLU A 4 3.512 -8.071 -16.287 1.00 0.00 H new ATOM 0 HA GLU A 4 4.003 -9.582 -14.853 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.958 -10.024 -13.734 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.376 -11.012 -15.059 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.805 -12.804 -14.552 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.020 -11.776 -13.818 1.00 0.00 H new ATOM 58 N LYS A 5 5.120 -11.167 -16.356 1.00 0.00 N ATOM 59 CA LYS A 5 5.854 -12.254 -16.986 1.00 0.00 C ATOM 60 C LYS A 5 7.198 -12.432 -16.288 1.00 0.00 C ATOM 61 O LYS A 5 7.593 -13.556 -15.991 1.00 0.00 O ATOM 62 CB LYS A 5 6.051 -12.208 -18.534 1.00 0.00 C ATOM 63 CG LYS A 5 6.643 -10.939 -19.185 1.00 0.00 C ATOM 64 CD LYS A 5 5.546 -9.951 -19.612 1.00 0.00 C ATOM 65 CE LYS A 5 5.955 -8.929 -20.681 1.00 0.00 C ATOM 66 NZ LYS A 5 4.744 -8.210 -21.098 1.00 0.00 N ATOM 0 H LYS A 5 5.705 -10.623 -15.722 1.00 0.00 H new ATOM 0 HA LYS A 5 5.198 -13.114 -16.854 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.693 -13.046 -18.807 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.079 -12.388 -18.993 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.318 -10.451 -18.482 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.237 -11.220 -20.054 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.695 -10.520 -19.986 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.205 -9.410 -18.729 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.694 -8.234 -20.283 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.415 -9.430 -21.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.841 -7.914 -22.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.919 -8.835 -21.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.614 -7.371 -20.497 1.00 0.00 H new ATOM 80 N LYS A 6 7.922 -11.327 -16.005 1.00 0.00 N ATOM 81 CA LYS A 6 9.256 -11.357 -15.423 1.00 0.00 C ATOM 82 C LYS A 6 9.400 -10.519 -14.158 1.00 0.00 C ATOM 83 O LYS A 6 8.517 -9.749 -13.765 1.00 0.00 O ATOM 84 CB LYS A 6 10.309 -10.927 -16.486 1.00 0.00 C ATOM 85 CG LYS A 6 10.163 -9.499 -17.067 1.00 0.00 C ATOM 86 CD LYS A 6 11.120 -8.435 -16.488 1.00 0.00 C ATOM 87 CE LYS A 6 12.595 -8.663 -16.856 1.00 0.00 C ATOM 88 NZ LYS A 6 13.430 -7.497 -16.502 1.00 0.00 N ATOM 0 H LYS A 6 7.580 -10.383 -16.182 1.00 0.00 H new ATOM 0 HA LYS A 6 9.433 -12.388 -15.115 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.299 -11.014 -16.039 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.269 -11.637 -17.312 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.316 -9.549 -18.145 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.138 -9.165 -16.905 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.814 -7.452 -16.845 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.023 -8.425 -15.402 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.967 -9.548 -16.339 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.678 -8.860 -17.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.419 -7.686 -16.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.090 -6.658 -17.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.370 -7.325 -15.478 1.00 0.00 H new ATOM 102 N GLY A 7 10.551 -10.663 -13.476 1.00 0.00 N ATOM 103 CA GLY A 7 10.912 -9.907 -12.287 1.00 0.00 C ATOM 104 C GLY A 7 12.396 -9.672 -12.260 1.00 0.00 C ATOM 105 O GLY A 7 12.917 -8.870 -13.032 1.00 0.00 O ATOM 0 H GLY A 7 11.269 -11.331 -13.754 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.384 -8.953 -12.278 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.605 -10.450 -11.393 1.00 0.00 H new ATOM 109 N GLY A 8 13.125 -10.371 -11.373 1.00 0.00 N ATOM 110 CA GLY A 8 14.584 -10.332 -11.310 1.00 0.00 C ATOM 111 C GLY A 8 15.195 -9.120 -10.642 1.00 0.00 C ATOM 112 O GLY A 8 14.514 -8.265 -10.074 1.00 0.00 O ATOM 0 H GLY A 8 12.706 -10.984 -10.674 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.927 -11.222 -10.783 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.972 -10.394 -12.327 1.00 0.00 H new ATOM 116 N GLU A 9 16.540 -9.060 -10.703 1.00 0.00 N ATOM 117 CA GLU A 9 17.398 -8.009 -10.172 1.00 0.00 C ATOM 118 C GLU A 9 17.600 -8.117 -8.662 1.00 0.00 C ATOM 119 O GLU A 9 18.695 -8.414 -8.180 1.00 0.00 O ATOM 120 CB GLU A 9 16.979 -6.569 -10.598 1.00 0.00 C ATOM 121 CG GLU A 9 18.045 -5.492 -10.272 1.00 0.00 C ATOM 122 CD GLU A 9 17.498 -4.078 -10.331 1.00 0.00 C ATOM 123 OE1 GLU A 9 16.566 -3.758 -9.547 1.00 0.00 O ATOM 124 OE2 GLU A 9 18.055 -3.239 -11.091 1.00 0.00 O ATOM 0 H GLU A 9 17.080 -9.797 -11.156 1.00 0.00 H new ATOM 0 HA GLU A 9 18.366 -8.185 -10.641 1.00 0.00 H new ATOM 0 HB2 GLU A 9 16.780 -6.559 -11.670 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.046 -6.308 -10.098 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.449 -5.678 -9.277 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.873 -5.585 -10.974 1.00 0.00 H new ATOM 131 N THR A 10 16.539 -7.861 -7.881 1.00 0.00 N ATOM 132 CA THR A 10 16.567 -7.803 -6.422 1.00 0.00 C ATOM 133 C THR A 10 15.367 -8.526 -5.849 1.00 0.00 C ATOM 134 O THR A 10 14.507 -9.036 -6.563 1.00 0.00 O ATOM 135 CB THR A 10 16.593 -6.385 -5.861 1.00 0.00 C ATOM 136 OG1 THR A 10 15.685 -5.557 -6.571 1.00 0.00 O ATOM 137 CG2 THR A 10 17.991 -5.778 -6.051 1.00 0.00 C ATOM 0 H THR A 10 15.611 -7.684 -8.266 1.00 0.00 H new ATOM 0 HA THR A 10 17.498 -8.286 -6.126 1.00 0.00 H new ATOM 0 HB THR A 10 16.324 -6.437 -4.806 1.00 0.00 H new ATOM 0 HG1 THR A 10 15.925 -4.617 -6.436 1.00 0.00 H new ATOM 0 HG21 THR A 10 18.006 -4.765 -5.649 1.00 0.00 H new ATOM 0 HG22 THR A 10 18.727 -6.387 -5.526 1.00 0.00 H new ATOM 0 HG23 THR A 10 18.234 -5.750 -7.113 1.00 0.00 H new ATOM 145 N GLU A 11 15.279 -8.632 -4.512 1.00 0.00 N ATOM 146 CA GLU A 11 14.270 -9.431 -3.846 1.00 0.00 C ATOM 147 C GLU A 11 12.919 -8.712 -3.766 1.00 0.00 C ATOM 148 O GLU A 11 12.803 -7.632 -3.182 1.00 0.00 O ATOM 149 CB GLU A 11 14.802 -9.772 -2.437 1.00 0.00 C ATOM 150 CG GLU A 11 14.168 -11.015 -1.768 1.00 0.00 C ATOM 151 CD GLU A 11 14.647 -11.167 -0.336 1.00 0.00 C ATOM 152 OE1 GLU A 11 15.382 -10.287 0.175 1.00 0.00 O ATOM 153 OE2 GLU A 11 14.228 -12.128 0.361 1.00 0.00 O ATOM 0 H GLU A 11 15.916 -8.158 -3.871 1.00 0.00 H new ATOM 0 HA GLU A 11 14.089 -10.340 -4.420 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.879 -9.926 -2.502 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.641 -8.911 -1.789 1.00 0.00 H new ATOM 0 HG2 GLU A 11 13.082 -10.927 -1.784 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.424 -11.909 -2.337 1.00 0.00 H new ATOM 160 N HIS A 12 11.863 -9.269 -4.396 1.00 0.00 N ATOM 161 CA HIS A 12 10.546 -8.659 -4.461 1.00 0.00 C ATOM 162 C HIS A 12 9.471 -9.485 -3.777 1.00 0.00 C ATOM 163 O HIS A 12 9.530 -10.712 -3.752 1.00 0.00 O ATOM 164 CB HIS A 12 10.108 -8.284 -5.913 1.00 0.00 C ATOM 165 CG HIS A 12 9.859 -9.376 -6.935 1.00 0.00 C ATOM 166 ND1 HIS A 12 9.189 -10.562 -6.710 1.00 0.00 N ATOM 167 CD2 HIS A 12 10.044 -9.315 -8.282 1.00 0.00 C ATOM 168 CE1 HIS A 12 9.005 -11.161 -7.911 1.00 0.00 C ATOM 169 NE2 HIS A 12 9.494 -10.430 -8.900 1.00 0.00 N ATOM 0 H HIS A 12 11.917 -10.167 -4.876 1.00 0.00 H new ATOM 0 HA HIS A 12 10.651 -7.729 -3.903 1.00 0.00 H new ATOM 0 HB2 HIS A 12 9.192 -7.698 -5.834 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.873 -7.625 -6.323 1.00 0.00 H new ATOM 0 HD1 HIS A 12 8.887 -10.922 -5.804 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.548 -8.511 -8.798 1.00 0.00 H new ATOM 0 HE1 HIS A 12 8.520 -12.116 -8.045 1.00 0.00 H new ATOM 177 N ILE A 13 8.442 -8.817 -3.220 1.00 0.00 N ATOM 178 CA ILE A 13 7.303 -9.444 -2.566 1.00 0.00 C ATOM 179 C ILE A 13 6.010 -8.818 -3.061 1.00 0.00 C ATOM 180 O ILE A 13 5.975 -7.671 -3.505 1.00 0.00 O ATOM 181 CB ILE A 13 7.341 -9.345 -1.039 1.00 0.00 C ATOM 182 CG1 ILE A 13 7.498 -7.890 -0.532 1.00 0.00 C ATOM 183 CG2 ILE A 13 8.460 -10.275 -0.531 1.00 0.00 C ATOM 184 CD1 ILE A 13 7.341 -7.759 0.986 1.00 0.00 C ATOM 0 H ILE A 13 8.390 -7.798 -3.219 1.00 0.00 H new ATOM 0 HA ILE A 13 7.354 -10.502 -2.825 1.00 0.00 H new ATOM 0 HB ILE A 13 6.383 -9.669 -0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.479 -7.515 -0.823 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.757 -7.259 -1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.510 -10.224 0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.249 -11.300 -0.837 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.414 -9.960 -0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.462 -6.715 1.276 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.350 -8.104 1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.099 -8.364 1.484 1.00 0.00 H new ATOM 196 N ASN A 14 4.895 -9.568 -3.003 1.00 0.00 N ATOM 197 CA ASN A 14 3.583 -9.091 -3.407 1.00 0.00 C ATOM 198 C ASN A 14 2.761 -8.503 -2.273 1.00 0.00 C ATOM 199 O ASN A 14 2.907 -8.867 -1.109 1.00 0.00 O ATOM 200 CB ASN A 14 2.753 -10.239 -4.034 1.00 0.00 C ATOM 201 CG ASN A 14 3.203 -10.411 -5.472 1.00 0.00 C ATOM 202 OD1 ASN A 14 4.093 -11.193 -5.793 1.00 0.00 O ATOM 203 ND2 ASN A 14 2.585 -9.610 -6.369 1.00 0.00 N ATOM 0 H ASN A 14 4.892 -10.532 -2.669 1.00 0.00 H new ATOM 0 HA ASN A 14 3.785 -8.298 -4.127 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.899 -11.164 -3.476 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.689 -10.006 -3.993 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.854 -9.642 -7.352 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.849 -8.973 -6.062 1.00 0.00 H new ATOM 210 N LEU A 15 1.812 -7.619 -2.627 1.00 0.00 N ATOM 211 CA LEU A 15 0.721 -7.210 -1.765 1.00 0.00 C ATOM 212 C LEU A 15 -0.554 -7.302 -2.587 1.00 0.00 C ATOM 213 O LEU A 15 -0.555 -7.048 -3.793 1.00 0.00 O ATOM 214 CB LEU A 15 0.862 -5.772 -1.195 1.00 0.00 C ATOM 215 CG LEU A 15 2.046 -5.566 -0.221 1.00 0.00 C ATOM 216 CD1 LEU A 15 3.348 -5.159 -0.930 1.00 0.00 C ATOM 217 CD2 LEU A 15 1.694 -4.512 0.839 1.00 0.00 C ATOM 0 H LEU A 15 1.793 -7.167 -3.541 1.00 0.00 H new ATOM 0 HA LEU A 15 0.716 -7.869 -0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.971 -5.077 -2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.062 -5.510 -0.680 1.00 0.00 H new ATOM 0 HG LEU A 15 2.220 -6.532 0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.139 -5.030 -0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.635 -5.937 -1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.194 -4.221 -1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.538 -4.380 1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.470 -3.564 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.823 -4.842 1.406 1.00 0.00 H new ATOM 229 N LYS A 16 -1.672 -7.714 -1.963 1.00 0.00 N ATOM 230 CA LYS A 16 -2.973 -7.822 -2.595 1.00 0.00 C ATOM 231 C LYS A 16 -3.911 -6.845 -1.902 1.00 0.00 C ATOM 232 O LYS A 16 -4.063 -6.865 -0.683 1.00 0.00 O ATOM 233 CB LYS A 16 -3.519 -9.278 -2.526 1.00 0.00 C ATOM 234 CG LYS A 16 -2.419 -10.330 -2.775 1.00 0.00 C ATOM 235 CD LYS A 16 -2.916 -11.768 -3.019 1.00 0.00 C ATOM 236 CE LYS A 16 -1.855 -12.797 -2.600 1.00 0.00 C ATOM 237 NZ LYS A 16 -2.064 -14.128 -3.201 1.00 0.00 N ATOM 0 H LYS A 16 -1.682 -7.985 -0.980 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.893 -7.574 -3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.967 -9.449 -1.547 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.311 -9.402 -3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.830 -10.017 -3.637 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.747 -10.338 -1.916 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.835 -11.939 -2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.158 -11.899 -4.074 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.869 -12.428 -2.884 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.859 -12.892 -1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.316 -14.775 -2.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.991 -14.498 -2.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.032 -14.050 -4.238 1.00 0.00 H new ATOM 251 N VAL A 17 -4.510 -5.917 -2.665 1.00 0.00 N ATOM 252 CA VAL A 17 -5.254 -4.782 -2.151 1.00 0.00 C ATOM 253 C VAL A 17 -6.734 -4.961 -2.428 1.00 0.00 C ATOM 254 O VAL A 17 -7.150 -5.113 -3.577 1.00 0.00 O ATOM 255 CB VAL A 17 -4.790 -3.482 -2.793 1.00 0.00 C ATOM 256 CG1 VAL A 17 -5.490 -2.285 -2.132 1.00 0.00 C ATOM 257 CG2 VAL A 17 -3.265 -3.340 -2.642 1.00 0.00 C ATOM 0 H VAL A 17 -4.483 -5.947 -3.684 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.076 -4.730 -1.077 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.047 -3.502 -3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.150 -1.361 -2.600 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.569 -2.380 -2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.249 -2.264 -1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.939 -2.408 -3.103 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.003 -3.332 -1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.771 -4.179 -3.132 1.00 0.00 H new ATOM 267 N LEU A 18 -7.577 -4.959 -1.378 1.00 0.00 N ATOM 268 CA LEU A 18 -8.986 -5.286 -1.496 1.00 0.00 C ATOM 269 C LEU A 18 -9.903 -4.125 -1.132 1.00 0.00 C ATOM 270 O LEU A 18 -10.019 -3.729 0.029 1.00 0.00 O ATOM 271 CB LEU A 18 -9.345 -6.504 -0.613 1.00 0.00 C ATOM 272 CG LEU A 18 -8.513 -7.771 -0.921 1.00 0.00 C ATOM 273 CD1 LEU A 18 -7.305 -7.928 0.015 1.00 0.00 C ATOM 274 CD2 LEU A 18 -9.393 -9.017 -0.817 1.00 0.00 C ATOM 0 H LEU A 18 -7.287 -4.728 -0.428 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.148 -5.522 -2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.204 -6.235 0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.402 -6.735 -0.743 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.134 -7.657 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.757 -8.833 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.649 -7.064 -0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.651 -7.998 1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.797 -9.903 -1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.799 -9.093 0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.212 -8.945 -1.533 1.00 0.00 H new ATOM 286 N GLY A 19 -10.623 -3.554 -2.117 1.00 0.00 N ATOM 287 CA GLY A 19 -11.598 -2.483 -1.916 1.00 0.00 C ATOM 288 C GLY A 19 -12.932 -2.958 -1.397 1.00 0.00 C ATOM 289 O GLY A 19 -13.238 -4.147 -1.380 1.00 0.00 O ATOM 0 H GLY A 19 -10.535 -3.836 -3.093 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.185 -1.756 -1.216 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.752 -1.963 -2.862 1.00 0.00 H new ATOM 293 N GLN A 20 -13.771 -2.023 -0.919 1.00 0.00 N ATOM 294 CA GLN A 20 -15.062 -2.333 -0.317 1.00 0.00 C ATOM 295 C GLN A 20 -16.234 -2.288 -1.293 1.00 0.00 C ATOM 296 O GLN A 20 -17.359 -2.643 -0.942 1.00 0.00 O ATOM 297 CB GLN A 20 -15.310 -1.402 0.902 1.00 0.00 C ATOM 298 CG GLN A 20 -15.517 0.107 0.597 1.00 0.00 C ATOM 299 CD GLN A 20 -16.968 0.528 0.331 1.00 0.00 C ATOM 300 OE1 GLN A 20 -17.280 1.164 -0.668 1.00 0.00 O ATOM 301 NE2 GLN A 20 -17.871 0.220 1.291 1.00 0.00 N ATOM 0 H GLN A 20 -13.563 -1.025 -0.944 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.010 -3.370 0.014 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -16.189 -1.765 1.434 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.463 -1.499 1.582 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -15.136 0.687 1.438 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.914 0.371 -0.272 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -17.581 -0.311 2.112 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -18.841 0.519 1.193 1.00 0.00 H new ATOM 310 N ASP A 21 -15.995 -1.853 -2.546 1.00 0.00 N ATOM 311 CA ASP A 21 -16.980 -1.803 -3.609 1.00 0.00 C ATOM 312 C ASP A 21 -17.077 -3.149 -4.332 1.00 0.00 C ATOM 313 O ASP A 21 -18.113 -3.818 -4.311 1.00 0.00 O ATOM 314 CB ASP A 21 -16.674 -0.604 -4.573 1.00 0.00 C ATOM 315 CG ASP A 21 -15.260 -0.502 -5.128 1.00 0.00 C ATOM 316 OD1 ASP A 21 -14.391 -1.357 -4.826 1.00 0.00 O ATOM 317 OD2 ASP A 21 -15.015 0.467 -5.898 1.00 0.00 O ATOM 0 H ASP A 21 -15.077 -1.519 -2.841 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.965 -1.622 -3.179 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -17.364 -0.662 -5.415 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -16.896 0.322 -4.042 1.00 0.00 H new ATOM 322 N ASN A 22 -15.966 -3.541 -4.981 1.00 0.00 N ATOM 323 CA ASN A 22 -15.680 -4.853 -5.526 1.00 0.00 C ATOM 324 C ASN A 22 -14.223 -4.934 -6.016 1.00 0.00 C ATOM 325 O ASN A 22 -13.757 -5.994 -6.444 1.00 0.00 O ATOM 326 CB ASN A 22 -16.629 -5.227 -6.707 1.00 0.00 C ATOM 327 CG ASN A 22 -17.022 -6.704 -6.717 1.00 0.00 C ATOM 328 OD1 ASN A 22 -18.159 -7.051 -7.034 1.00 0.00 O ATOM 329 ND2 ASN A 22 -16.091 -7.623 -6.383 1.00 0.00 N ATOM 0 H ASN A 22 -15.197 -2.891 -5.143 1.00 0.00 H new ATOM 0 HA ASN A 22 -15.843 -5.564 -4.716 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.531 -4.618 -6.647 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.140 -4.981 -7.650 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -16.328 -8.615 -6.392 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -15.151 -7.325 -6.122 1.00 0.00 H new ATOM 336 N ALA A 23 -13.458 -3.820 -6.007 1.00 0.00 N ATOM 337 CA ALA A 23 -12.178 -3.747 -6.683 1.00 0.00 C ATOM 338 C ALA A 23 -11.011 -4.417 -5.952 1.00 0.00 C ATOM 339 O ALA A 23 -10.615 -4.018 -4.860 1.00 0.00 O ATOM 340 CB ALA A 23 -11.841 -2.268 -6.949 1.00 0.00 C ATOM 0 H ALA A 23 -13.724 -2.959 -5.529 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.295 -4.313 -7.607 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.879 -2.200 -7.458 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.615 -1.825 -7.576 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.790 -1.731 -6.002 1.00 0.00 H new ATOM 346 N VAL A 24 -10.413 -5.459 -6.563 1.00 0.00 N ATOM 347 CA VAL A 24 -9.220 -6.116 -6.046 1.00 0.00 C ATOM 348 C VAL A 24 -8.041 -5.820 -6.965 1.00 0.00 C ATOM 349 O VAL A 24 -8.074 -6.116 -8.163 1.00 0.00 O ATOM 350 CB VAL A 24 -9.399 -7.623 -5.881 1.00 0.00 C ATOM 351 CG1 VAL A 24 -8.117 -8.264 -5.307 1.00 0.00 C ATOM 352 CG2 VAL A 24 -10.577 -7.884 -4.921 1.00 0.00 C ATOM 0 H VAL A 24 -10.755 -5.863 -7.435 1.00 0.00 H new ATOM 0 HA VAL A 24 -9.030 -5.715 -5.050 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.601 -8.066 -6.856 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.265 -9.338 -5.197 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.283 -8.080 -5.985 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.896 -7.827 -4.333 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.714 -8.958 -4.796 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.365 -7.430 -3.953 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.487 -7.448 -5.334 1.00 0.00 H new ATOM 362 N VAL A 25 -6.970 -5.209 -6.422 1.00 0.00 N ATOM 363 CA VAL A 25 -5.759 -4.815 -7.136 1.00 0.00 C ATOM 364 C VAL A 25 -4.589 -5.609 -6.571 1.00 0.00 C ATOM 365 O VAL A 25 -4.550 -5.922 -5.386 1.00 0.00 O ATOM 366 CB VAL A 25 -5.509 -3.307 -7.021 1.00 0.00 C ATOM 367 CG1 VAL A 25 -4.229 -2.873 -7.764 1.00 0.00 C ATOM 368 CG2 VAL A 25 -6.720 -2.547 -7.606 1.00 0.00 C ATOM 0 H VAL A 25 -6.932 -4.970 -5.431 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.875 -5.033 -8.198 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.377 -3.070 -5.965 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.092 -1.797 -7.655 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.369 -3.393 -7.341 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.320 -3.122 -8.821 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.548 -1.473 -7.527 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.848 -2.818 -8.654 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.619 -2.812 -7.050 1.00 0.00 H new ATOM 378 N GLN A 26 -3.601 -6.004 -7.396 1.00 0.00 N ATOM 379 CA GLN A 26 -2.457 -6.773 -6.936 1.00 0.00 C ATOM 380 C GLN A 26 -1.197 -6.199 -7.552 1.00 0.00 C ATOM 381 O GLN A 26 -1.196 -5.787 -8.708 1.00 0.00 O ATOM 382 CB GLN A 26 -2.602 -8.264 -7.335 1.00 0.00 C ATOM 383 CG GLN A 26 -3.665 -9.010 -6.493 1.00 0.00 C ATOM 384 CD GLN A 26 -4.076 -10.342 -7.112 1.00 0.00 C ATOM 385 OE1 GLN A 26 -3.613 -11.419 -6.733 1.00 0.00 O ATOM 386 NE2 GLN A 26 -5.000 -10.275 -8.098 1.00 0.00 N ATOM 0 H GLN A 26 -3.584 -5.794 -8.394 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.402 -6.713 -5.849 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.870 -8.329 -8.390 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.639 -8.762 -7.219 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.272 -9.185 -5.491 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.546 -8.377 -6.384 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.367 -9.370 -8.393 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.330 -11.130 -8.547 1.00 0.00 H new ATOM 395 N PHE A 27 -0.088 -6.142 -6.789 1.00 0.00 N ATOM 396 CA PHE A 27 1.179 -5.640 -7.297 1.00 0.00 C ATOM 397 C PHE A 27 2.344 -6.213 -6.505 1.00 0.00 C ATOM 398 O PHE A 27 2.154 -6.861 -5.475 1.00 0.00 O ATOM 399 CB PHE A 27 1.237 -4.080 -7.338 1.00 0.00 C ATOM 400 CG PHE A 27 0.747 -3.428 -6.067 1.00 0.00 C ATOM 401 CD1 PHE A 27 1.492 -3.483 -4.874 1.00 0.00 C ATOM 402 CD2 PHE A 27 -0.467 -2.720 -6.072 1.00 0.00 C ATOM 403 CE1 PHE A 27 1.029 -2.849 -3.715 1.00 0.00 C ATOM 404 CE2 PHE A 27 -0.920 -2.066 -4.921 1.00 0.00 C ATOM 405 CZ PHE A 27 -0.173 -2.135 -3.739 1.00 0.00 C ATOM 0 H PHE A 27 -0.057 -6.442 -5.815 1.00 0.00 H new ATOM 0 HA PHE A 27 1.262 -5.979 -8.330 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.264 -3.767 -7.526 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.637 -3.723 -8.175 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.429 -4.019 -4.853 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.058 -2.680 -6.975 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.601 -2.911 -2.801 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.845 -1.509 -4.944 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.525 -1.638 -2.847 1.00 0.00 H new ATOM 415 N LYS A 28 3.588 -5.991 -6.976 1.00 0.00 N ATOM 416 CA LYS A 28 4.797 -6.400 -6.285 1.00 0.00 C ATOM 417 C LYS A 28 5.738 -5.232 -6.042 1.00 0.00 C ATOM 418 O LYS A 28 5.834 -4.299 -6.839 1.00 0.00 O ATOM 419 CB LYS A 28 5.533 -7.562 -7.015 1.00 0.00 C ATOM 420 CG LYS A 28 5.971 -7.305 -8.471 1.00 0.00 C ATOM 421 CD LYS A 28 6.527 -8.595 -9.102 1.00 0.00 C ATOM 422 CE LYS A 28 7.044 -8.449 -10.543 1.00 0.00 C ATOM 423 NZ LYS A 28 7.489 -9.759 -11.050 1.00 0.00 N ATOM 0 H LYS A 28 3.768 -5.515 -7.860 1.00 0.00 H new ATOM 0 HA LYS A 28 4.477 -6.777 -5.314 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.419 -7.820 -6.435 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.881 -8.435 -7.006 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.124 -6.944 -9.054 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.731 -6.524 -8.496 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.340 -8.965 -8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.744 -9.353 -9.089 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.257 -8.050 -11.183 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.870 -7.738 -10.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.869 -9.648 -12.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.230 -10.139 -10.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.683 -10.416 -11.070 1.00 0.00 H new ATOM 437 N ILE A 29 6.459 -5.257 -4.905 1.00 0.00 N ATOM 438 CA ILE A 29 7.417 -4.243 -4.491 1.00 0.00 C ATOM 439 C ILE A 29 8.755 -4.916 -4.228 1.00 0.00 C ATOM 440 O ILE A 29 8.810 -6.096 -3.893 1.00 0.00 O ATOM 441 CB ILE A 29 6.931 -3.486 -3.247 1.00 0.00 C ATOM 442 CG1 ILE A 29 7.701 -2.159 -3.019 1.00 0.00 C ATOM 443 CG2 ILE A 29 6.935 -4.394 -1.993 1.00 0.00 C ATOM 444 CD1 ILE A 29 7.162 -1.321 -1.852 1.00 0.00 C ATOM 0 H ILE A 29 6.379 -6.019 -4.231 1.00 0.00 H new ATOM 0 HA ILE A 29 7.525 -3.507 -5.287 1.00 0.00 H new ATOM 0 HB ILE A 29 5.895 -3.202 -3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.751 -2.386 -2.836 1.00 0.00 H new ATOM 0 HG13 ILE A 29 7.658 -1.564 -3.931 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.585 -3.826 -1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.275 -5.245 -2.158 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.948 -4.751 -1.806 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.752 -0.409 -1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.120 -1.061 -2.041 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.230 -1.896 -0.929 1.00 0.00 H new ATOM 456 N LYS A 30 9.887 -4.196 -4.359 1.00 0.00 N ATOM 457 CA LYS A 30 11.170 -4.660 -3.855 1.00 0.00 C ATOM 458 C LYS A 30 11.204 -4.538 -2.328 1.00 0.00 C ATOM 459 O LYS A 30 10.680 -3.590 -1.756 1.00 0.00 O ATOM 460 CB LYS A 30 12.342 -3.839 -4.464 1.00 0.00 C ATOM 461 CG LYS A 30 12.954 -4.397 -5.768 1.00 0.00 C ATOM 462 CD LYS A 30 12.108 -4.326 -7.053 1.00 0.00 C ATOM 463 CE LYS A 30 12.829 -4.885 -8.303 1.00 0.00 C ATOM 464 NZ LYS A 30 13.934 -4.006 -8.741 1.00 0.00 N ATOM 0 H LYS A 30 9.925 -3.285 -4.816 1.00 0.00 H new ATOM 0 HA LYS A 30 11.290 -5.704 -4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.988 -2.826 -4.656 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.133 -3.764 -3.718 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.887 -3.865 -5.953 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.212 -5.442 -5.595 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.183 -4.881 -6.899 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.830 -3.288 -7.238 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.221 -5.878 -8.082 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.111 -4.999 -9.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.645 -3.484 -9.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.163 -3.332 -7.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.772 -4.583 -8.956 1.00 0.00 H new ATOM 478 N LYS A 31 11.826 -5.492 -1.609 1.00 0.00 N ATOM 479 CA LYS A 31 11.845 -5.474 -0.148 1.00 0.00 C ATOM 480 C LYS A 31 12.738 -4.406 0.462 1.00 0.00 C ATOM 481 O LYS A 31 12.626 -4.077 1.640 1.00 0.00 O ATOM 482 CB LYS A 31 12.328 -6.829 0.423 1.00 0.00 C ATOM 483 CG LYS A 31 11.279 -7.944 0.343 1.00 0.00 C ATOM 484 CD LYS A 31 11.846 -9.321 0.734 1.00 0.00 C ATOM 485 CE LYS A 31 12.426 -9.431 2.150 1.00 0.00 C ATOM 486 NZ LYS A 31 12.981 -10.776 2.356 1.00 0.00 N ATOM 0 H LYS A 31 12.320 -6.282 -2.024 1.00 0.00 H new ATOM 0 HA LYS A 31 10.811 -5.258 0.120 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.220 -7.143 -0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.619 -6.691 1.464 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.444 -7.700 0.999 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.883 -7.993 -0.671 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.053 -10.062 0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.627 -9.586 0.021 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.203 -8.681 2.294 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.649 -9.231 2.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.394 -11.293 3.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.991 -11.290 1.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.952 -10.699 2.721 1.00 0.00 H new ATOM 500 N HIS A 32 13.687 -3.859 -0.310 1.00 0.00 N ATOM 501 CA HIS A 32 14.718 -2.996 0.236 1.00 0.00 C ATOM 502 C HIS A 32 14.302 -1.537 0.384 1.00 0.00 C ATOM 503 O HIS A 32 15.009 -0.756 1.016 1.00 0.00 O ATOM 504 CB HIS A 32 16.015 -3.088 -0.608 1.00 0.00 C ATOM 505 CG HIS A 32 16.434 -4.504 -0.937 1.00 0.00 C ATOM 506 ND1 HIS A 32 16.424 -5.550 -0.036 1.00 0.00 N ATOM 507 CD2 HIS A 32 16.866 -5.034 -2.112 1.00 0.00 C ATOM 508 CE1 HIS A 32 16.825 -6.658 -0.705 1.00 0.00 C ATOM 509 NE2 HIS A 32 17.117 -6.392 -1.968 1.00 0.00 N ATOM 0 H HIS A 32 13.753 -4.006 -1.317 1.00 0.00 H new ATOM 0 HA HIS A 32 14.898 -3.367 1.245 1.00 0.00 H new ATOM 0 HB2 HIS A 32 15.872 -2.537 -1.537 1.00 0.00 H new ATOM 0 HB3 HIS A 32 16.824 -2.597 -0.068 1.00 0.00 H new ATOM 0 HD2 HIS A 32 16.996 -4.477 -3.028 1.00 0.00 H new ATOM 0 HE1 HIS A 32 16.898 -7.640 -0.261 1.00 0.00 H new ATOM 0 HE2 HIS A 32 17.453 -7.042 -2.679 1.00 0.00 H new ATOM 517 N THR A 33 13.157 -1.114 -0.186 1.00 0.00 N ATOM 518 CA THR A 33 12.685 0.272 -0.130 1.00 0.00 C ATOM 519 C THR A 33 11.433 0.390 0.742 1.00 0.00 C ATOM 520 O THR A 33 10.727 -0.601 0.934 1.00 0.00 O ATOM 521 CB THR A 33 12.429 0.870 -1.514 1.00 0.00 C ATOM 522 OG1 THR A 33 11.576 0.062 -2.312 1.00 0.00 O ATOM 523 CG2 THR A 33 13.764 0.956 -2.265 1.00 0.00 C ATOM 0 H THR A 33 12.533 -1.735 -0.701 1.00 0.00 H new ATOM 0 HA THR A 33 13.490 0.851 0.323 1.00 0.00 H new ATOM 0 HB THR A 33 11.960 1.841 -1.357 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.443 0.489 -3.184 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.598 1.381 -3.255 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.454 1.590 -1.709 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.190 -0.042 -2.366 1.00 0.00 H new ATOM 531 N PRO A 34 11.107 1.537 1.347 1.00 0.00 N ATOM 532 CA PRO A 34 9.896 1.659 2.158 1.00 0.00 C ATOM 533 C PRO A 34 8.644 1.850 1.317 1.00 0.00 C ATOM 534 O PRO A 34 8.708 2.185 0.133 1.00 0.00 O ATOM 535 CB PRO A 34 10.172 2.905 3.017 1.00 0.00 C ATOM 536 CG PRO A 34 11.090 3.766 2.149 1.00 0.00 C ATOM 537 CD PRO A 34 11.959 2.728 1.437 1.00 0.00 C ATOM 0 HA PRO A 34 9.701 0.758 2.739 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.249 3.431 3.263 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.650 2.640 3.960 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.525 4.373 1.442 1.00 0.00 H new ATOM 0 HG3 PRO A 34 11.689 4.451 2.750 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.263 3.075 0.449 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.871 2.522 1.997 1.00 0.00 H new ATOM 545 N LEU A 35 7.463 1.668 1.941 1.00 0.00 N ATOM 546 CA LEU A 35 6.166 1.658 1.278 1.00 0.00 C ATOM 547 C LEU A 35 5.799 2.951 0.555 1.00 0.00 C ATOM 548 O LEU A 35 5.146 2.910 -0.488 1.00 0.00 O ATOM 549 CB LEU A 35 5.031 1.269 2.269 1.00 0.00 C ATOM 550 CG LEU A 35 4.769 -0.250 2.426 1.00 0.00 C ATOM 551 CD1 LEU A 35 4.244 -0.888 1.129 1.00 0.00 C ATOM 552 CD2 LEU A 35 5.974 -1.037 2.963 1.00 0.00 C ATOM 0 H LEU A 35 7.395 1.521 2.948 1.00 0.00 H new ATOM 0 HA LEU A 35 6.266 0.899 0.502 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.272 1.681 3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.108 1.747 1.941 1.00 0.00 H new ATOM 0 HG LEU A 35 3.989 -0.318 3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.076 -1.953 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.306 -0.412 0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.977 -0.752 0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.712 -2.092 3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.816 -0.924 2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.250 -0.654 3.946 1.00 0.00 H new ATOM 564 N ARG A 36 6.226 4.135 1.059 1.00 0.00 N ATOM 565 CA ARG A 36 6.001 5.452 0.459 1.00 0.00 C ATOM 566 C ARG A 36 6.322 5.526 -1.026 1.00 0.00 C ATOM 567 O ARG A 36 5.586 6.133 -1.803 1.00 0.00 O ATOM 568 CB ARG A 36 6.784 6.564 1.219 1.00 0.00 C ATOM 569 CG ARG A 36 6.267 8.020 1.035 1.00 0.00 C ATOM 570 CD ARG A 36 6.735 8.796 -0.213 1.00 0.00 C ATOM 571 NE ARG A 36 6.159 10.183 -0.108 1.00 0.00 N ATOM 572 CZ ARG A 36 6.863 11.302 0.121 1.00 0.00 C ATOM 573 NH1 ARG A 36 8.184 11.351 0.113 1.00 0.00 N ATOM 574 NH2 ARG A 36 6.196 12.413 0.406 1.00 0.00 N ATOM 0 H ARG A 36 6.756 4.189 1.929 1.00 0.00 H new ATOM 0 HA ARG A 36 4.929 5.621 0.556 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.768 6.327 2.283 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.826 6.528 0.900 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.178 7.990 1.022 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.559 8.593 1.915 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.823 8.833 -0.259 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.394 8.304 -1.124 1.00 0.00 H new ATOM 0 HE ARG A 36 5.150 10.280 -0.220 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.725 10.507 -0.075 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.663 12.233 0.295 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.177 12.400 0.446 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.702 13.280 0.585 1.00 0.00 H new ATOM 588 N LYS A 37 7.413 4.865 -1.462 1.00 0.00 N ATOM 589 CA LYS A 37 7.845 4.822 -2.847 1.00 0.00 C ATOM 590 C LYS A 37 6.791 4.211 -3.769 1.00 0.00 C ATOM 591 O LYS A 37 6.398 4.802 -4.772 1.00 0.00 O ATOM 592 CB LYS A 37 9.185 4.048 -2.951 1.00 0.00 C ATOM 593 CG LYS A 37 10.174 4.533 -4.032 1.00 0.00 C ATOM 594 CD LYS A 37 9.739 4.381 -5.500 1.00 0.00 C ATOM 595 CE LYS A 37 9.204 5.675 -6.136 1.00 0.00 C ATOM 596 NZ LYS A 37 8.973 5.462 -7.569 1.00 0.00 N ATOM 0 H LYS A 37 8.022 4.339 -0.836 1.00 0.00 H new ATOM 0 HA LYS A 37 7.991 5.849 -3.182 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.685 4.098 -1.984 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.960 2.998 -3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.385 5.587 -3.849 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.111 3.993 -3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.588 4.027 -6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.968 3.613 -5.561 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.276 5.975 -5.649 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.917 6.486 -5.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.611 6.338 -7.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.867 5.196 -8.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.277 4.701 -7.699 1.00 0.00 H new ATOM 610 N LEU A 38 6.259 3.022 -3.423 1.00 0.00 N ATOM 611 CA LEU A 38 5.188 2.405 -4.186 1.00 0.00 C ATOM 612 C LEU A 38 3.876 3.149 -4.029 1.00 0.00 C ATOM 613 O LEU A 38 3.203 3.435 -5.016 1.00 0.00 O ATOM 614 CB LEU A 38 5.008 0.907 -3.834 1.00 0.00 C ATOM 615 CG LEU A 38 4.012 0.146 -4.745 1.00 0.00 C ATOM 616 CD1 LEU A 38 4.427 -1.321 -4.911 1.00 0.00 C ATOM 617 CD2 LEU A 38 2.563 0.181 -4.233 1.00 0.00 C ATOM 0 H LEU A 38 6.564 2.479 -2.615 1.00 0.00 H new ATOM 0 HA LEU A 38 5.486 2.468 -5.232 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.979 0.415 -3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.669 0.828 -2.801 1.00 0.00 H new ATOM 0 HG LEU A 38 4.046 0.667 -5.702 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.711 -1.831 -5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.419 -1.370 -5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.447 -1.806 -3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.921 -0.371 -4.919 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.515 -0.276 -3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.224 1.215 -4.171 1.00 0.00 H new ATOM 629 N MET A 39 3.483 3.500 -2.787 1.00 0.00 N ATOM 630 CA MET A 39 2.236 4.189 -2.492 1.00 0.00 C ATOM 631 C MET A 39 2.054 5.485 -3.269 1.00 0.00 C ATOM 632 O MET A 39 1.040 5.681 -3.934 1.00 0.00 O ATOM 633 CB MET A 39 2.097 4.477 -0.975 1.00 0.00 C ATOM 634 CG MET A 39 1.837 3.219 -0.123 1.00 0.00 C ATOM 635 SD MET A 39 0.249 2.413 -0.491 1.00 0.00 S ATOM 636 CE MET A 39 0.295 1.269 0.918 1.00 0.00 C ATOM 0 H MET A 39 4.041 3.304 -1.956 1.00 0.00 H new ATOM 0 HA MET A 39 1.450 3.505 -2.814 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.007 4.961 -0.622 1.00 0.00 H new ATOM 0 HB3 MET A 39 1.281 5.183 -0.822 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.645 2.505 -0.286 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.861 3.492 0.932 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.600 0.647 0.911 1.00 0.00 H new ATOM 0 HE2 MET A 39 1.178 0.635 0.843 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.335 1.838 1.847 1.00 0.00 H new ATOM 646 N ASN A 40 3.054 6.389 -3.257 1.00 0.00 N ATOM 647 CA ASN A 40 2.988 7.629 -4.010 1.00 0.00 C ATOM 648 C ASN A 40 3.017 7.390 -5.521 1.00 0.00 C ATOM 649 O ASN A 40 2.324 8.070 -6.275 1.00 0.00 O ATOM 650 CB ASN A 40 4.134 8.583 -3.580 1.00 0.00 C ATOM 651 CG ASN A 40 3.808 10.056 -3.813 1.00 0.00 C ATOM 652 OD1 ASN A 40 3.924 10.873 -2.891 1.00 0.00 O ATOM 653 ND2 ASN A 40 3.424 10.438 -5.042 1.00 0.00 N ATOM 0 H ASN A 40 3.917 6.270 -2.726 1.00 0.00 H new ATOM 0 HA ASN A 40 2.032 8.100 -3.781 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.350 8.428 -2.523 1.00 0.00 H new ATOM 0 HB3 ASN A 40 5.038 8.326 -4.131 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.221 11.420 -5.231 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.335 9.746 -5.787 1.00 0.00 H new ATOM 660 N ALA A 41 3.794 6.403 -6.007 1.00 0.00 N ATOM 661 CA ALA A 41 3.819 6.045 -7.411 1.00 0.00 C ATOM 662 C ALA A 41 2.476 5.521 -7.919 1.00 0.00 C ATOM 663 O ALA A 41 2.005 5.914 -8.980 1.00 0.00 O ATOM 664 CB ALA A 41 4.921 5.000 -7.664 1.00 0.00 C ATOM 0 H ALA A 41 4.416 5.841 -5.426 1.00 0.00 H new ATOM 0 HA ALA A 41 4.031 6.958 -7.968 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.935 4.735 -8.721 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.888 5.415 -7.381 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.721 4.109 -7.069 1.00 0.00 H new ATOM 670 N TYR A 42 1.805 4.639 -7.150 1.00 0.00 N ATOM 671 CA TYR A 42 0.481 4.135 -7.478 1.00 0.00 C ATOM 672 C TYR A 42 -0.584 5.228 -7.434 1.00 0.00 C ATOM 673 O TYR A 42 -1.412 5.334 -8.336 1.00 0.00 O ATOM 674 CB TYR A 42 0.102 2.953 -6.543 1.00 0.00 C ATOM 675 CG TYR A 42 -0.360 1.782 -7.365 1.00 0.00 C ATOM 676 CD1 TYR A 42 -1.647 1.763 -7.928 1.00 0.00 C ATOM 677 CD2 TYR A 42 0.515 0.713 -7.625 1.00 0.00 C ATOM 678 CE1 TYR A 42 -2.054 0.687 -8.732 1.00 0.00 C ATOM 679 CE2 TYR A 42 0.112 -0.356 -8.435 1.00 0.00 C ATOM 680 CZ TYR A 42 -1.175 -0.371 -8.984 1.00 0.00 C ATOM 681 OH TYR A 42 -1.591 -1.453 -9.785 1.00 0.00 O ATOM 0 H TYR A 42 2.181 4.262 -6.280 1.00 0.00 H new ATOM 0 HA TYR A 42 0.518 3.773 -8.505 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.961 2.667 -5.937 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -0.686 3.260 -5.855 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.327 2.581 -7.741 1.00 0.00 H new ATOM 0 HD2 TYR A 42 1.506 0.716 -7.197 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.047 0.676 -9.156 1.00 0.00 H new ATOM 0 HE2 TYR A 42 0.794 -1.169 -8.636 1.00 0.00 H new ATOM 0 HH TYR A 42 -0.861 -2.102 -9.862 1.00 0.00 H new ATOM 691 N CYS A 43 -0.550 6.104 -6.401 1.00 0.00 N ATOM 692 CA CYS A 43 -1.407 7.282 -6.297 1.00 0.00 C ATOM 693 C CYS A 43 -1.308 8.201 -7.504 1.00 0.00 C ATOM 694 O CYS A 43 -2.299 8.434 -8.191 1.00 0.00 O ATOM 695 CB CYS A 43 -1.115 8.129 -5.026 1.00 0.00 C ATOM 696 SG CYS A 43 -1.590 7.297 -3.475 1.00 0.00 S ATOM 0 H CYS A 43 0.087 5.999 -5.611 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.415 6.871 -6.240 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.051 8.364 -4.992 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.649 9.076 -5.099 1.00 0.00 H new ATOM 0 HG CYS A 43 -0.711 6.384 -3.186 1.00 0.00 H new ATOM 702 N ASP A 44 -0.101 8.708 -7.816 1.00 0.00 N ATOM 703 CA ASP A 44 0.110 9.663 -8.887 1.00 0.00 C ATOM 704 C ASP A 44 0.017 9.051 -10.292 1.00 0.00 C ATOM 705 O ASP A 44 -0.142 9.773 -11.275 1.00 0.00 O ATOM 706 CB ASP A 44 1.484 10.368 -8.721 1.00 0.00 C ATOM 707 CG ASP A 44 1.563 11.285 -7.518 1.00 0.00 C ATOM 708 OD1 ASP A 44 0.670 11.311 -6.636 1.00 0.00 O ATOM 709 OD2 ASP A 44 2.591 12.012 -7.449 1.00 0.00 O ATOM 0 H ASP A 44 0.754 8.456 -7.320 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.702 10.385 -8.803 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.263 9.610 -8.639 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.696 10.946 -9.621 1.00 0.00 H new ATOM 714 N ARG A 45 0.106 7.712 -10.443 1.00 0.00 N ATOM 715 CA ARG A 45 -0.176 7.026 -11.698 1.00 0.00 C ATOM 716 C ARG A 45 -1.672 6.920 -11.942 1.00 0.00 C ATOM 717 O ARG A 45 -2.167 7.222 -13.026 1.00 0.00 O ATOM 718 CB ARG A 45 0.477 5.615 -11.719 1.00 0.00 C ATOM 719 CG ARG A 45 0.540 4.888 -13.087 1.00 0.00 C ATOM 720 CD ARG A 45 -0.714 4.109 -13.520 1.00 0.00 C ATOM 721 NE ARG A 45 -0.323 3.343 -14.754 1.00 0.00 N ATOM 722 CZ ARG A 45 -0.956 2.258 -15.207 1.00 0.00 C ATOM 723 NH1 ARG A 45 -2.003 1.720 -14.600 1.00 0.00 N ATOM 724 NH2 ARG A 45 -0.551 1.660 -16.321 1.00 0.00 N ATOM 0 H ARG A 45 0.378 7.084 -9.687 1.00 0.00 H new ATOM 0 HA ARG A 45 0.259 7.619 -12.502 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.494 5.707 -11.337 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.069 4.979 -11.022 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.761 5.629 -13.855 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.380 4.193 -13.064 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.045 3.434 -12.731 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.542 4.787 -13.728 1.00 0.00 H new ATOM 0 HE ARG A 45 0.483 3.676 -15.283 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.364 2.136 -13.742 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.448 0.890 -14.991 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.248 2.029 -16.836 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.039 0.832 -16.661 1.00 0.00 H new ATOM 738 N ALA A 46 -2.445 6.487 -10.927 1.00 0.00 N ATOM 739 CA ALA A 46 -3.886 6.371 -11.021 1.00 0.00 C ATOM 740 C ALA A 46 -4.601 7.722 -11.048 1.00 0.00 C ATOM 741 O ALA A 46 -5.563 7.920 -11.792 1.00 0.00 O ATOM 742 CB ALA A 46 -4.387 5.534 -9.827 1.00 0.00 C ATOM 0 H ALA A 46 -2.070 6.210 -10.020 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.119 5.886 -11.969 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.471 5.436 -9.881 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.931 4.545 -9.859 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.113 6.029 -8.895 1.00 0.00 H new ATOM 748 N GLY A 47 -4.127 8.683 -10.232 1.00 0.00 N ATOM 749 CA GLY A 47 -4.664 10.033 -10.098 1.00 0.00 C ATOM 750 C GLY A 47 -5.395 10.232 -8.800 1.00 0.00 C ATOM 751 O GLY A 47 -6.159 11.177 -8.632 1.00 0.00 O ATOM 0 H GLY A 47 -3.323 8.523 -9.625 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.849 10.754 -10.167 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.341 10.236 -10.928 1.00 0.00 H new ATOM 755 N LEU A 48 -5.186 9.341 -7.819 1.00 0.00 N ATOM 756 CA LEU A 48 -5.884 9.363 -6.546 1.00 0.00 C ATOM 757 C LEU A 48 -4.991 9.876 -5.425 1.00 0.00 C ATOM 758 O LEU A 48 -3.838 10.249 -5.623 1.00 0.00 O ATOM 759 CB LEU A 48 -6.528 7.977 -6.251 1.00 0.00 C ATOM 760 CG LEU A 48 -5.581 6.758 -6.183 1.00 0.00 C ATOM 761 CD1 LEU A 48 -4.938 6.573 -4.803 1.00 0.00 C ATOM 762 CD2 LEU A 48 -6.341 5.480 -6.566 1.00 0.00 C ATOM 0 H LEU A 48 -4.515 8.577 -7.899 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.705 10.077 -6.608 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.058 8.046 -5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.276 7.781 -7.020 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.776 6.950 -6.892 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.284 5.701 -4.820 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.355 7.459 -4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.717 6.428 -4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.666 4.626 -6.515 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.170 5.329 -5.875 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.728 5.577 -7.580 1.00 0.00 H new ATOM 774 N SER A 49 -5.508 9.949 -4.183 1.00 0.00 N ATOM 775 CA SER A 49 -4.707 10.385 -3.049 1.00 0.00 C ATOM 776 C SER A 49 -5.255 9.756 -1.789 1.00 0.00 C ATOM 777 O SER A 49 -6.256 9.037 -1.824 1.00 0.00 O ATOM 778 CB SER A 49 -4.667 11.931 -2.826 1.00 0.00 C ATOM 779 OG SER A 49 -4.725 12.657 -4.054 1.00 0.00 O ATOM 0 H SER A 49 -6.472 9.711 -3.952 1.00 0.00 H new ATOM 0 HA SER A 49 -3.688 10.071 -3.275 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.503 12.226 -2.192 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.754 12.196 -2.293 1.00 0.00 H new ATOM 0 HG SER A 49 -4.699 13.619 -3.867 1.00 0.00 H new ATOM 785 N MET A 50 -4.657 10.047 -0.614 1.00 0.00 N ATOM 786 CA MET A 50 -5.097 9.477 0.656 1.00 0.00 C ATOM 787 C MET A 50 -6.364 10.141 1.203 1.00 0.00 C ATOM 788 O MET A 50 -6.993 9.685 2.154 1.00 0.00 O ATOM 789 CB MET A 50 -3.934 9.490 1.678 1.00 0.00 C ATOM 790 CG MET A 50 -4.166 8.560 2.890 1.00 0.00 C ATOM 791 SD MET A 50 -2.674 8.162 3.851 1.00 0.00 S ATOM 792 CE MET A 50 -1.952 6.989 2.670 1.00 0.00 C ATOM 0 H MET A 50 -3.862 10.680 -0.530 1.00 0.00 H new ATOM 0 HA MET A 50 -5.378 8.440 0.472 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.015 9.193 1.173 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.787 10.509 2.035 1.00 0.00 H new ATOM 0 HG2 MET A 50 -4.893 9.028 3.554 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.610 7.630 2.535 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.859 6.010 3.140 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.597 6.911 1.795 1.00 0.00 H new ATOM 0 HE3 MET A 50 -0.966 7.340 2.365 1.00 0.00 H new ATOM 802 N GLN A 51 -6.842 11.217 0.543 1.00 0.00 N ATOM 803 CA GLN A 51 -8.172 11.765 0.753 1.00 0.00 C ATOM 804 C GLN A 51 -9.296 10.810 0.397 1.00 0.00 C ATOM 805 O GLN A 51 -10.371 10.869 0.989 1.00 0.00 O ATOM 806 CB GLN A 51 -8.388 13.048 -0.092 1.00 0.00 C ATOM 807 CG GLN A 51 -7.693 14.293 0.488 1.00 0.00 C ATOM 808 CD GLN A 51 -8.211 14.567 1.899 1.00 0.00 C ATOM 809 OE1 GLN A 51 -9.426 14.650 2.111 1.00 0.00 O ATOM 810 NE2 GLN A 51 -7.297 14.666 2.883 1.00 0.00 N ATOM 0 H GLN A 51 -6.299 11.725 -0.155 1.00 0.00 H new ATOM 0 HA GLN A 51 -8.212 11.973 1.822 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -8.018 12.874 -1.103 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -9.457 13.244 -0.173 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.614 14.141 0.510 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -7.880 15.156 -0.151 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.303 14.592 2.665 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -7.598 14.815 3.846 1.00 0.00 H new ATOM 819 N VAL A 52 -9.075 9.929 -0.594 1.00 0.00 N ATOM 820 CA VAL A 52 -10.046 8.928 -0.996 1.00 0.00 C ATOM 821 C VAL A 52 -9.645 7.553 -0.486 1.00 0.00 C ATOM 822 O VAL A 52 -10.404 6.925 0.248 1.00 0.00 O ATOM 823 CB VAL A 52 -10.344 8.945 -2.498 1.00 0.00 C ATOM 824 CG1 VAL A 52 -11.233 10.171 -2.787 1.00 0.00 C ATOM 825 CG2 VAL A 52 -9.076 9.021 -3.372 1.00 0.00 C ATOM 0 H VAL A 52 -8.210 9.901 -1.134 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.993 9.189 -0.523 1.00 0.00 H new ATOM 0 HB VAL A 52 -10.839 8.008 -2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.463 10.211 -3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.159 10.091 -2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.706 11.079 -2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -9.359 9.029 -4.424 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.526 9.932 -3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.445 8.155 -3.173 1.00 0.00 H new ATOM 835 N VAL A 53 -8.445 7.043 -0.822 1.00 0.00 N ATOM 836 CA VAL A 53 -8.045 5.681 -0.493 1.00 0.00 C ATOM 837 C VAL A 53 -7.430 5.585 0.897 1.00 0.00 C ATOM 838 O VAL A 53 -6.365 6.129 1.178 1.00 0.00 O ATOM 839 CB VAL A 53 -7.096 5.113 -1.542 1.00 0.00 C ATOM 840 CG1 VAL A 53 -6.557 3.727 -1.139 1.00 0.00 C ATOM 841 CG2 VAL A 53 -7.859 4.990 -2.875 1.00 0.00 C ATOM 0 H VAL A 53 -7.734 7.571 -1.328 1.00 0.00 H new ATOM 0 HA VAL A 53 -8.953 5.078 -0.491 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.244 5.786 -1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.885 3.359 -1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -6.015 3.807 -0.197 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.389 3.033 -1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.195 4.585 -3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.712 4.324 -2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.210 5.974 -3.185 1.00 0.00 H new ATOM 851 N ARG A 54 -8.116 4.887 1.823 1.00 0.00 N ATOM 852 CA ARG A 54 -7.649 4.644 3.180 1.00 0.00 C ATOM 853 C ARG A 54 -7.331 3.166 3.358 1.00 0.00 C ATOM 854 O ARG A 54 -8.162 2.313 3.055 1.00 0.00 O ATOM 855 CB ARG A 54 -8.721 5.069 4.225 1.00 0.00 C ATOM 856 CG ARG A 54 -8.623 6.539 4.685 1.00 0.00 C ATOM 857 CD ARG A 54 -8.732 7.617 3.604 1.00 0.00 C ATOM 858 NE ARG A 54 -10.124 7.587 3.038 1.00 0.00 N ATOM 859 CZ ARG A 54 -11.032 8.537 3.264 1.00 0.00 C ATOM 860 NH1 ARG A 54 -10.853 9.515 4.142 1.00 0.00 N ATOM 861 NH2 ARG A 54 -12.181 8.543 2.602 1.00 0.00 N ATOM 0 H ARG A 54 -9.028 4.472 1.633 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.751 5.240 3.341 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.710 4.900 3.800 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.635 4.422 5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.408 6.716 5.420 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.670 6.670 5.198 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.516 8.599 4.025 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.999 7.439 2.817 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.388 6.797 2.449 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.989 9.564 4.682 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.580 10.218 4.278 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.376 7.817 1.913 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.869 9.274 2.782 1.00 0.00 H new ATOM 875 N PHE A 55 -6.126 2.839 3.868 1.00 0.00 N ATOM 876 CA PHE A 55 -5.653 1.474 4.039 1.00 0.00 C ATOM 877 C PHE A 55 -5.726 1.012 5.491 1.00 0.00 C ATOM 878 O PHE A 55 -5.496 1.791 6.414 1.00 0.00 O ATOM 879 CB PHE A 55 -4.160 1.335 3.631 1.00 0.00 C ATOM 880 CG PHE A 55 -3.941 1.573 2.165 1.00 0.00 C ATOM 881 CD1 PHE A 55 -4.013 0.502 1.261 1.00 0.00 C ATOM 882 CD2 PHE A 55 -3.596 2.848 1.684 1.00 0.00 C ATOM 883 CE1 PHE A 55 -3.739 0.696 -0.100 1.00 0.00 C ATOM 884 CE2 PHE A 55 -3.328 3.048 0.324 1.00 0.00 C ATOM 885 CZ PHE A 55 -3.400 1.971 -0.569 1.00 0.00 C ATOM 0 H PHE A 55 -5.451 3.539 4.175 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.303 0.870 3.406 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.562 2.044 4.204 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.807 0.337 3.891 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.282 -0.481 1.617 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.537 3.681 2.369 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.789 -0.137 -0.786 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.066 4.032 -0.036 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.194 2.124 -1.618 1.00 0.00 H new ATOM 895 N ARG A 56 -5.989 -0.288 5.730 1.00 0.00 N ATOM 896 CA ARG A 56 -5.731 -0.915 7.024 1.00 0.00 C ATOM 897 C ARG A 56 -5.037 -2.256 6.842 1.00 0.00 C ATOM 898 O ARG A 56 -5.360 -3.032 5.946 1.00 0.00 O ATOM 899 CB ARG A 56 -7.006 -1.142 7.872 1.00 0.00 C ATOM 900 CG ARG A 56 -7.581 0.146 8.495 1.00 0.00 C ATOM 901 CD ARG A 56 -8.909 -0.072 9.227 1.00 0.00 C ATOM 902 NE ARG A 56 -9.931 -0.433 8.195 1.00 0.00 N ATOM 903 CZ ARG A 56 -10.561 0.429 7.390 1.00 0.00 C ATOM 904 NH1 ARG A 56 -10.471 1.742 7.499 1.00 0.00 N ATOM 905 NH2 ARG A 56 -11.345 -0.104 6.460 1.00 0.00 N ATOM 0 H ARG A 56 -6.382 -0.921 5.033 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.093 -0.213 7.561 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.770 -1.603 7.245 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.779 -1.849 8.670 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.853 0.559 9.194 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.725 0.888 7.709 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.814 -0.866 9.968 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.205 0.830 9.763 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.167 -1.421 8.097 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.894 2.155 8.232 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.979 2.344 6.850 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.439 -1.117 6.391 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.854 0.500 5.814 1.00 0.00 H new ATOM 919 N PHE A 57 -4.061 -2.544 7.720 1.00 0.00 N ATOM 920 CA PHE A 57 -3.245 -3.742 7.739 1.00 0.00 C ATOM 921 C PHE A 57 -3.745 -4.620 8.880 1.00 0.00 C ATOM 922 O PHE A 57 -3.680 -4.220 10.042 1.00 0.00 O ATOM 923 CB PHE A 57 -1.771 -3.320 7.975 1.00 0.00 C ATOM 924 CG PHE A 57 -0.824 -4.467 8.207 1.00 0.00 C ATOM 925 CD1 PHE A 57 -0.453 -5.315 7.155 1.00 0.00 C ATOM 926 CD2 PHE A 57 -0.308 -4.711 9.493 1.00 0.00 C ATOM 927 CE1 PHE A 57 0.419 -6.390 7.379 1.00 0.00 C ATOM 928 CE2 PHE A 57 0.565 -5.783 9.722 1.00 0.00 C ATOM 929 CZ PHE A 57 0.928 -6.625 8.661 1.00 0.00 C ATOM 0 H PHE A 57 -3.817 -1.901 8.474 1.00 0.00 H new ATOM 0 HA PHE A 57 -3.308 -4.294 6.801 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.427 -2.750 7.112 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.731 -2.652 8.835 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.842 -5.139 6.163 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.588 -4.065 10.312 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.698 -7.037 6.561 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.957 -5.960 10.713 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.599 -7.453 8.833 1.00 0.00 H new ATOM 939 N ASP A 58 -4.304 -5.814 8.565 1.00 0.00 N ATOM 940 CA ASP A 58 -4.787 -6.823 9.507 1.00 0.00 C ATOM 941 C ASP A 58 -5.977 -6.406 10.410 1.00 0.00 C ATOM 942 O ASP A 58 -6.737 -7.237 10.908 1.00 0.00 O ATOM 943 CB ASP A 58 -3.575 -7.412 10.293 1.00 0.00 C ATOM 944 CG ASP A 58 -3.846 -8.781 10.868 1.00 0.00 C ATOM 945 OD1 ASP A 58 -4.123 -9.731 10.089 1.00 0.00 O ATOM 946 OD2 ASP A 58 -3.788 -8.932 12.117 1.00 0.00 O ATOM 0 H ASP A 58 -4.431 -6.103 7.595 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.247 -7.610 8.909 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.713 -7.469 9.629 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.310 -6.731 11.102 1.00 0.00 H new ATOM 951 N GLY A 59 -6.169 -5.096 10.638 1.00 0.00 N ATOM 952 CA GLY A 59 -7.227 -4.500 11.440 1.00 0.00 C ATOM 953 C GLY A 59 -6.908 -3.069 11.799 1.00 0.00 C ATOM 954 O GLY A 59 -7.793 -2.234 11.974 1.00 0.00 O ATOM 0 H GLY A 59 -5.548 -4.391 10.240 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.167 -4.538 10.890 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.367 -5.082 12.351 1.00 0.00 H new ATOM 958 N GLN A 60 -5.608 -2.740 11.922 1.00 0.00 N ATOM 959 CA GLN A 60 -5.128 -1.447 12.378 1.00 0.00 C ATOM 960 C GLN A 60 -4.556 -0.605 11.236 1.00 0.00 C ATOM 961 O GLN A 60 -4.291 -1.133 10.155 1.00 0.00 O ATOM 962 CB GLN A 60 -4.058 -1.671 13.483 1.00 0.00 C ATOM 963 CG GLN A 60 -4.638 -2.190 14.825 1.00 0.00 C ATOM 964 CD GLN A 60 -5.437 -1.110 15.560 1.00 0.00 C ATOM 965 OE1 GLN A 60 -6.507 -0.678 15.131 1.00 0.00 O ATOM 966 NE2 GLN A 60 -4.929 -0.637 16.717 1.00 0.00 N ATOM 0 H GLN A 60 -4.854 -3.390 11.699 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.973 -0.889 12.781 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.318 -2.383 13.119 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.535 -0.732 13.664 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.281 -3.050 14.634 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.824 -2.536 15.462 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.042 -0.997 17.070 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.432 0.081 17.239 1.00 0.00 H new ATOM 975 N PRO A 61 -4.355 0.705 11.376 1.00 0.00 N ATOM 976 CA PRO A 61 -3.658 1.487 10.362 1.00 0.00 C ATOM 977 C PRO A 61 -2.158 1.215 10.371 1.00 0.00 C ATOM 978 O PRO A 61 -1.588 0.841 11.398 1.00 0.00 O ATOM 979 CB PRO A 61 -3.974 2.942 10.758 1.00 0.00 C ATOM 980 CG PRO A 61 -4.203 2.889 12.270 1.00 0.00 C ATOM 981 CD PRO A 61 -4.890 1.538 12.460 1.00 0.00 C ATOM 0 HA PRO A 61 -3.976 1.244 9.348 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.150 3.610 10.505 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.856 3.312 10.236 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.266 2.948 12.824 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.828 3.713 12.614 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -4.666 1.111 13.438 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.974 1.630 12.393 1.00 0.00 H new ATOM 989 N ILE A 62 -1.498 1.417 9.221 1.00 0.00 N ATOM 990 CA ILE A 62 -0.071 1.213 9.024 1.00 0.00 C ATOM 991 C ILE A 62 0.503 2.510 8.466 1.00 0.00 C ATOM 992 O ILE A 62 -0.246 3.402 8.061 1.00 0.00 O ATOM 993 CB ILE A 62 0.182 0.001 8.118 1.00 0.00 C ATOM 994 CG1 ILE A 62 1.660 -0.466 8.107 1.00 0.00 C ATOM 995 CG2 ILE A 62 -0.368 0.247 6.692 1.00 0.00 C ATOM 996 CD1 ILE A 62 1.853 -1.880 7.544 1.00 0.00 C ATOM 0 H ILE A 62 -1.969 1.739 8.376 1.00 0.00 H new ATOM 0 HA ILE A 62 0.432 0.983 9.963 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.374 -0.830 8.551 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.249 0.235 7.516 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.051 -0.432 9.124 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.175 -0.628 6.072 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.442 0.426 6.742 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.125 1.116 6.257 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.911 -2.140 7.567 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.291 -2.592 8.149 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.493 -1.914 6.516 1.00 0.00 H new ATOM 1008 N ASN A 63 1.839 2.685 8.456 1.00 0.00 N ATOM 1009 CA ASN A 63 2.495 3.870 7.934 1.00 0.00 C ATOM 1010 C ASN A 63 3.316 3.563 6.692 1.00 0.00 C ATOM 1011 O ASN A 63 3.522 2.421 6.294 1.00 0.00 O ATOM 1012 CB ASN A 63 3.357 4.540 9.032 1.00 0.00 C ATOM 1013 CG ASN A 63 2.404 5.243 9.986 1.00 0.00 C ATOM 1014 OD1 ASN A 63 1.766 6.231 9.605 1.00 0.00 O ATOM 1015 ND2 ASN A 63 2.253 4.748 11.226 1.00 0.00 N ATOM 0 H ASN A 63 2.490 1.989 8.819 1.00 0.00 H new ATOM 0 HA ASN A 63 1.720 4.574 7.631 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.952 3.796 9.562 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.055 5.252 8.592 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.601 5.189 11.875 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.790 3.932 11.518 1.00 0.00 H new ATOM 1022 N GLU A 64 3.773 4.624 6.013 1.00 0.00 N ATOM 1023 CA GLU A 64 4.406 4.607 4.715 1.00 0.00 C ATOM 1024 C GLU A 64 5.922 4.612 4.806 1.00 0.00 C ATOM 1025 O GLU A 64 6.621 4.165 3.896 1.00 0.00 O ATOM 1026 CB GLU A 64 3.916 5.829 3.887 1.00 0.00 C ATOM 1027 CG GLU A 64 4.398 7.241 4.341 1.00 0.00 C ATOM 1028 CD GLU A 64 3.841 7.730 5.667 1.00 0.00 C ATOM 1029 OE1 GLU A 64 4.170 7.158 6.737 1.00 0.00 O ATOM 1030 OE2 GLU A 64 3.086 8.734 5.663 1.00 0.00 O ATOM 0 H GLU A 64 3.699 5.569 6.391 1.00 0.00 H new ATOM 0 HA GLU A 64 4.122 3.678 4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.228 5.683 2.853 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.826 5.826 3.895 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.486 7.230 4.406 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.132 7.962 3.568 1.00 0.00 H new ATOM 1037 N ASN A 65 6.483 5.116 5.924 1.00 0.00 N ATOM 1038 CA ASN A 65 7.915 5.148 6.172 1.00 0.00 C ATOM 1039 C ASN A 65 8.514 3.762 6.440 1.00 0.00 C ATOM 1040 O ASN A 65 9.722 3.563 6.313 1.00 0.00 O ATOM 1041 CB ASN A 65 8.212 6.103 7.367 1.00 0.00 C ATOM 1042 CG ASN A 65 9.704 6.405 7.449 1.00 0.00 C ATOM 1043 OD1 ASN A 65 10.321 6.798 6.457 1.00 0.00 O ATOM 1044 ND2 ASN A 65 10.334 6.196 8.620 1.00 0.00 N ATOM 0 H ASN A 65 5.933 5.516 6.685 1.00 0.00 H new ATOM 0 HA ASN A 65 8.391 5.517 5.263 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.653 7.031 7.247 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.875 5.646 8.298 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.337 6.363 8.696 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.808 5.871 9.431 1.00 0.00 H new ATOM 1051 N ASP A 66 7.679 2.786 6.828 1.00 0.00 N ATOM 1052 CA ASP A 66 8.104 1.472 7.255 1.00 0.00 C ATOM 1053 C ASP A 66 8.707 0.629 6.124 1.00 0.00 C ATOM 1054 O ASP A 66 8.221 0.579 4.992 1.00 0.00 O ATOM 1055 CB ASP A 66 6.922 0.711 7.933 1.00 0.00 C ATOM 1056 CG ASP A 66 6.463 1.353 9.223 1.00 0.00 C ATOM 1057 OD1 ASP A 66 7.044 2.384 9.652 1.00 0.00 O ATOM 1058 OD2 ASP A 66 5.519 0.820 9.866 1.00 0.00 O ATOM 0 H ASP A 66 6.666 2.906 6.849 1.00 0.00 H new ATOM 0 HA ASP A 66 8.902 1.627 7.981 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.083 0.664 7.239 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.227 -0.316 8.134 1.00 0.00 H new ATOM 1063 N THR A 67 9.833 -0.040 6.422 1.00 0.00 N ATOM 1064 CA THR A 67 10.521 -0.975 5.544 1.00 0.00 C ATOM 1065 C THR A 67 10.074 -2.396 5.848 1.00 0.00 C ATOM 1066 O THR A 67 10.025 -2.766 7.023 1.00 0.00 O ATOM 1067 CB THR A 67 12.041 -0.917 5.702 1.00 0.00 C ATOM 1068 OG1 THR A 67 12.425 -0.653 7.048 1.00 0.00 O ATOM 1069 CG2 THR A 67 12.559 0.269 4.877 1.00 0.00 C ATOM 0 H THR A 67 10.301 0.067 7.322 1.00 0.00 H new ATOM 0 HA THR A 67 10.265 -0.689 4.524 1.00 0.00 H new ATOM 0 HB THR A 67 12.445 -1.878 5.384 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.244 -1.442 7.600 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.643 0.333 4.973 1.00 0.00 H new ATOM 0 HG22 THR A 67 12.295 0.126 3.829 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.107 1.191 5.242 1.00 0.00 H new ATOM 1077 N PRO A 68 9.740 -3.273 4.895 1.00 0.00 N ATOM 1078 CA PRO A 68 9.135 -4.575 5.205 1.00 0.00 C ATOM 1079 C PRO A 68 10.142 -5.552 5.789 1.00 0.00 C ATOM 1080 O PRO A 68 9.745 -6.568 6.358 1.00 0.00 O ATOM 1081 CB PRO A 68 8.588 -5.044 3.844 1.00 0.00 C ATOM 1082 CG PRO A 68 9.484 -4.356 2.811 1.00 0.00 C ATOM 1083 CD PRO A 68 9.768 -2.999 3.453 1.00 0.00 C ATOM 0 HA PRO A 68 8.361 -4.509 5.970 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.635 -6.129 3.750 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.544 -4.758 3.716 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.401 -4.918 2.633 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.983 -4.250 1.849 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.735 -2.605 3.141 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.017 -2.260 3.173 1.00 0.00 H new ATOM 1091 N THR A 69 11.447 -5.241 5.698 1.00 0.00 N ATOM 1092 CA THR A 69 12.557 -5.961 6.310 1.00 0.00 C ATOM 1093 C THR A 69 12.535 -5.904 7.828 1.00 0.00 C ATOM 1094 O THR A 69 13.065 -6.785 8.510 1.00 0.00 O ATOM 1095 CB THR A 69 13.906 -5.411 5.854 1.00 0.00 C ATOM 1096 OG1 THR A 69 13.950 -3.995 5.997 1.00 0.00 O ATOM 1097 CG2 THR A 69 14.094 -5.702 4.361 1.00 0.00 C ATOM 0 H THR A 69 11.764 -4.433 5.163 1.00 0.00 H new ATOM 0 HA THR A 69 12.432 -6.994 5.985 1.00 0.00 H new ATOM 0 HB THR A 69 14.679 -5.881 6.462 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.823 -3.663 5.701 1.00 0.00 H new ATOM 0 HG21 THR A 69 15.057 -5.310 4.032 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.064 -6.779 4.194 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.295 -5.224 3.794 1.00 0.00 H new ATOM 1105 N SER A 70 11.910 -4.854 8.388 1.00 0.00 N ATOM 1106 CA SER A 70 11.726 -4.635 9.813 1.00 0.00 C ATOM 1107 C SER A 70 10.584 -5.451 10.387 1.00 0.00 C ATOM 1108 O SER A 70 10.556 -5.775 11.568 1.00 0.00 O ATOM 1109 CB SER A 70 11.370 -3.153 10.099 1.00 0.00 C ATOM 1110 OG SER A 70 12.283 -2.273 9.441 1.00 0.00 O ATOM 0 H SER A 70 11.505 -4.107 7.824 1.00 0.00 H new ATOM 0 HA SER A 70 12.669 -4.929 10.273 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.354 -2.947 9.762 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.393 -2.970 11.173 1.00 0.00 H new ATOM 0 HG SER A 70 12.038 -1.344 9.634 1.00 0.00 H new ATOM 1116 N LEU A 71 9.577 -5.764 9.546 1.00 0.00 N ATOM 1117 CA LEU A 71 8.311 -6.339 9.969 1.00 0.00 C ATOM 1118 C LEU A 71 8.313 -7.862 10.013 1.00 0.00 C ATOM 1119 O LEU A 71 7.597 -8.466 10.813 1.00 0.00 O ATOM 1120 CB LEU A 71 7.208 -5.844 8.995 1.00 0.00 C ATOM 1121 CG LEU A 71 5.756 -6.228 9.357 1.00 0.00 C ATOM 1122 CD1 LEU A 71 5.331 -5.692 10.732 1.00 0.00 C ATOM 1123 CD2 LEU A 71 4.787 -5.719 8.281 1.00 0.00 C ATOM 0 H LEU A 71 9.635 -5.616 8.538 1.00 0.00 H new ATOM 0 HA LEU A 71 8.125 -6.011 10.992 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.269 -4.758 8.932 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.428 -6.234 8.001 1.00 0.00 H new ATOM 0 HG LEU A 71 5.719 -7.316 9.404 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.303 -5.990 10.937 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.987 -6.101 11.500 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.401 -4.604 10.736 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.768 -5.997 8.549 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.861 -4.634 8.209 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.044 -6.165 7.320 1.00 0.00 H new ATOM 1135 N GLU A 72 9.104 -8.502 9.121 1.00 0.00 N ATOM 1136 CA GLU A 72 9.126 -9.941 8.875 1.00 0.00 C ATOM 1137 C GLU A 72 7.825 -10.443 8.249 1.00 0.00 C ATOM 1138 O GLU A 72 7.119 -11.296 8.790 1.00 0.00 O ATOM 1139 CB GLU A 72 9.519 -10.808 10.105 1.00 0.00 C ATOM 1140 CG GLU A 72 10.929 -10.524 10.677 1.00 0.00 C ATOM 1141 CD GLU A 72 11.186 -11.370 11.908 1.00 0.00 C ATOM 1142 OE1 GLU A 72 11.113 -12.627 11.814 1.00 0.00 O ATOM 1143 OE2 GLU A 72 11.419 -10.792 13.004 1.00 0.00 O ATOM 0 H GLU A 72 9.768 -7.998 8.534 1.00 0.00 H new ATOM 0 HA GLU A 72 9.932 -10.072 8.153 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.784 -10.649 10.894 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.462 -11.859 9.824 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.684 -10.736 9.920 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.019 -9.468 10.930 1.00 0.00 H new ATOM 1150 N MET A 73 7.484 -9.913 7.059 1.00 0.00 N ATOM 1151 CA MET A 73 6.291 -10.298 6.330 1.00 0.00 C ATOM 1152 C MET A 73 6.620 -11.191 5.145 1.00 0.00 C ATOM 1153 O MET A 73 7.664 -11.065 4.507 1.00 0.00 O ATOM 1154 CB MET A 73 5.493 -9.056 5.848 1.00 0.00 C ATOM 1155 CG MET A 73 6.239 -8.143 4.849 1.00 0.00 C ATOM 1156 SD MET A 73 5.315 -6.658 4.341 1.00 0.00 S ATOM 1157 CE MET A 73 3.992 -7.497 3.428 1.00 0.00 C ATOM 0 H MET A 73 8.041 -9.202 6.585 1.00 0.00 H new ATOM 0 HA MET A 73 5.670 -10.863 7.025 1.00 0.00 H new ATOM 0 HB2 MET A 73 4.567 -9.396 5.384 1.00 0.00 H new ATOM 0 HB3 MET A 73 5.213 -8.463 6.719 1.00 0.00 H new ATOM 0 HG2 MET A 73 7.183 -7.832 5.297 1.00 0.00 H new ATOM 0 HG3 MET A 73 6.484 -8.724 3.960 1.00 0.00 H new ATOM 0 HE1 MET A 73 3.495 -6.784 2.770 1.00 0.00 H new ATOM 0 HE2 MET A 73 4.417 -8.305 2.833 1.00 0.00 H new ATOM 0 HE3 MET A 73 3.268 -7.907 4.132 1.00 0.00 H new ATOM 1167 N GLU A 74 5.704 -12.119 4.805 1.00 0.00 N ATOM 1168 CA GLU A 74 5.788 -12.885 3.578 1.00 0.00 C ATOM 1169 C GLU A 74 5.216 -12.109 2.394 1.00 0.00 C ATOM 1170 O GLU A 74 4.592 -11.056 2.507 1.00 0.00 O ATOM 1171 CB GLU A 74 5.025 -14.237 3.666 1.00 0.00 C ATOM 1172 CG GLU A 74 5.786 -15.367 4.401 1.00 0.00 C ATOM 1173 CD GLU A 74 5.127 -16.701 4.112 1.00 0.00 C ATOM 1174 OE1 GLU A 74 5.050 -17.090 2.917 1.00 0.00 O ATOM 1175 OE2 GLU A 74 4.590 -17.356 5.043 1.00 0.00 O ATOM 0 H GLU A 74 4.894 -12.347 5.381 1.00 0.00 H new ATOM 0 HA GLU A 74 6.851 -13.078 3.431 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.075 -14.069 4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.792 -14.573 2.655 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.827 -15.387 4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.789 -15.177 5.474 1.00 0.00 H new ATOM 1182 N GLU A 75 5.406 -12.669 1.191 1.00 0.00 N ATOM 1183 CA GLU A 75 4.799 -12.219 -0.035 1.00 0.00 C ATOM 1184 C GLU A 75 3.300 -12.510 -0.096 1.00 0.00 C ATOM 1185 O GLU A 75 2.808 -13.590 0.226 1.00 0.00 O ATOM 1186 CB GLU A 75 5.529 -12.884 -1.232 1.00 0.00 C ATOM 1187 CG GLU A 75 5.721 -14.411 -1.052 1.00 0.00 C ATOM 1188 CD GLU A 75 6.410 -15.101 -2.215 1.00 0.00 C ATOM 1189 OE1 GLU A 75 6.813 -14.459 -3.209 1.00 0.00 O ATOM 1190 OE2 GLU A 75 6.529 -16.353 -2.131 1.00 0.00 O ATOM 0 H GLU A 75 6.013 -13.478 1.058 1.00 0.00 H new ATOM 0 HA GLU A 75 4.903 -11.135 -0.082 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.961 -12.700 -2.144 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.504 -12.414 -1.363 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.301 -14.587 -0.146 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.745 -14.872 -0.900 1.00 0.00 H new ATOM 1197 N GLY A 76 2.509 -11.512 -0.515 1.00 0.00 N ATOM 1198 CA GLY A 76 1.088 -11.665 -0.769 1.00 0.00 C ATOM 1199 C GLY A 76 0.226 -11.350 0.415 1.00 0.00 C ATOM 1200 O GLY A 76 -0.688 -12.105 0.731 1.00 0.00 O ATOM 0 H GLY A 76 2.853 -10.567 -0.686 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.804 -11.015 -1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.893 -12.689 -1.087 1.00 0.00 H new ATOM 1204 N ASP A 77 0.461 -10.203 1.079 1.00 0.00 N ATOM 1205 CA ASP A 77 -0.385 -9.719 2.156 1.00 0.00 C ATOM 1206 C ASP A 77 -1.772 -9.282 1.655 1.00 0.00 C ATOM 1207 O ASP A 77 -1.977 -9.042 0.467 1.00 0.00 O ATOM 1208 CB ASP A 77 0.359 -8.594 2.926 1.00 0.00 C ATOM 1209 CG ASP A 77 -0.444 -8.131 4.129 1.00 0.00 C ATOM 1210 OD1 ASP A 77 -0.961 -9.023 4.852 1.00 0.00 O ATOM 1211 OD2 ASP A 77 -0.630 -6.902 4.270 1.00 0.00 O ATOM 0 H ASP A 77 1.251 -9.591 0.873 1.00 0.00 H new ATOM 0 HA ASP A 77 -0.579 -10.538 2.849 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.334 -8.956 3.253 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.540 -7.751 2.259 1.00 0.00 H new ATOM 1216 N THR A 78 -2.750 -9.216 2.568 1.00 0.00 N ATOM 1217 CA THR A 78 -4.148 -8.912 2.291 1.00 0.00 C ATOM 1218 C THR A 78 -4.544 -7.599 2.938 1.00 0.00 C ATOM 1219 O THR A 78 -5.131 -7.570 4.022 1.00 0.00 O ATOM 1220 CB THR A 78 -5.113 -9.997 2.774 1.00 0.00 C ATOM 1221 OG1 THR A 78 -4.888 -10.353 4.136 1.00 0.00 O ATOM 1222 CG2 THR A 78 -4.895 -11.263 1.939 1.00 0.00 C ATOM 0 H THR A 78 -2.575 -9.381 3.559 1.00 0.00 H new ATOM 0 HA THR A 78 -4.227 -8.852 1.206 1.00 0.00 H new ATOM 0 HB THR A 78 -6.123 -9.599 2.671 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.936 -9.550 4.696 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.578 -12.043 2.275 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.084 -11.043 0.888 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.867 -11.605 2.058 1.00 0.00 H new ATOM 1230 N ILE A 79 -4.244 -6.469 2.275 1.00 0.00 N ATOM 1231 CA ILE A 79 -4.465 -5.139 2.821 1.00 0.00 C ATOM 1232 C ILE A 79 -5.786 -4.563 2.310 1.00 0.00 C ATOM 1233 O ILE A 79 -6.124 -4.627 1.125 1.00 0.00 O ATOM 1234 CB ILE A 79 -3.256 -4.234 2.579 1.00 0.00 C ATOM 1235 CG1 ILE A 79 -3.293 -2.968 3.466 1.00 0.00 C ATOM 1236 CG2 ILE A 79 -3.081 -3.905 1.082 1.00 0.00 C ATOM 1237 CD1 ILE A 79 -2.009 -2.131 3.399 1.00 0.00 C ATOM 0 H ILE A 79 -3.839 -6.464 1.339 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.563 -5.207 3.904 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.369 -4.791 2.881 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.137 -2.348 3.164 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.470 -3.264 4.500 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.212 -3.260 0.950 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.936 -4.828 0.521 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.971 -3.394 0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.108 -1.260 4.046 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.164 -2.734 3.730 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.841 -1.803 2.373 1.00 0.00 H new ATOM 1249 N GLU A 80 -6.629 -4.009 3.203 1.00 0.00 N ATOM 1250 CA GLU A 80 -7.960 -3.557 2.826 1.00 0.00 C ATOM 1251 C GLU A 80 -8.008 -2.069 2.529 1.00 0.00 C ATOM 1252 O GLU A 80 -7.308 -1.265 3.140 1.00 0.00 O ATOM 1253 CB GLU A 80 -9.023 -3.911 3.897 1.00 0.00 C ATOM 1254 CG GLU A 80 -8.753 -3.286 5.283 1.00 0.00 C ATOM 1255 CD GLU A 80 -9.869 -3.581 6.260 1.00 0.00 C ATOM 1256 OE1 GLU A 80 -10.073 -4.771 6.606 1.00 0.00 O ATOM 1257 OE2 GLU A 80 -10.562 -2.623 6.689 1.00 0.00 O ATOM 0 H GLU A 80 -6.401 -3.869 4.187 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.200 -4.094 1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.001 -3.581 3.546 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.071 -4.995 4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.813 -3.671 5.678 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.637 -2.207 5.179 1.00 0.00 H new ATOM 1264 N VAL A 81 -8.854 -1.677 1.557 1.00 0.00 N ATOM 1265 CA VAL A 81 -9.041 -0.304 1.125 1.00 0.00 C ATOM 1266 C VAL A 81 -10.463 0.171 1.367 1.00 0.00 C ATOM 1267 O VAL A 81 -11.449 -0.472 1.002 1.00 0.00 O ATOM 1268 CB VAL A 81 -8.648 -0.122 -0.343 1.00 0.00 C ATOM 1269 CG1 VAL A 81 -9.343 1.068 -1.048 1.00 0.00 C ATOM 1270 CG2 VAL A 81 -7.125 0.079 -0.366 1.00 0.00 C ATOM 0 H VAL A 81 -9.438 -2.337 1.044 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.378 0.315 1.729 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.971 -1.004 -0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.007 1.124 -2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.423 0.925 -1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.088 1.995 -0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.791 0.214 -1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.866 0.962 0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.636 -0.796 0.062 1.00 0.00 H new ATOM 1280 N TYR A 82 -10.600 1.360 1.984 1.00 0.00 N ATOM 1281 CA TYR A 82 -11.848 2.087 2.062 1.00 0.00 C ATOM 1282 C TYR A 82 -11.770 3.330 1.187 1.00 0.00 C ATOM 1283 O TYR A 82 -10.708 3.937 1.046 1.00 0.00 O ATOM 1284 CB TYR A 82 -12.161 2.464 3.533 1.00 0.00 C ATOM 1285 CG TYR A 82 -13.569 2.069 3.853 1.00 0.00 C ATOM 1286 CD1 TYR A 82 -13.885 0.714 4.060 1.00 0.00 C ATOM 1287 CD2 TYR A 82 -14.598 3.023 3.880 1.00 0.00 C ATOM 1288 CE1 TYR A 82 -15.208 0.324 4.309 1.00 0.00 C ATOM 1289 CE2 TYR A 82 -15.922 2.630 4.117 1.00 0.00 C ATOM 1290 CZ TYR A 82 -16.227 1.282 4.334 1.00 0.00 C ATOM 1291 OH TYR A 82 -17.560 0.892 4.563 1.00 0.00 O ATOM 0 H TYR A 82 -9.825 1.836 2.445 1.00 0.00 H new ATOM 0 HA TYR A 82 -12.657 1.454 1.698 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.467 1.960 4.206 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.028 3.535 3.683 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -13.103 -0.030 4.027 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -14.368 4.066 3.717 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -15.441 -0.716 4.482 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -16.709 3.370 4.132 1.00 0.00 H new ATOM 0 HH TYR A 82 -18.139 1.682 4.549 1.00 0.00 H new ATOM 1301 N GLN A 83 -12.897 3.719 0.557 1.00 0.00 N ATOM 1302 CA GLN A 83 -12.966 4.836 -0.374 1.00 0.00 C ATOM 1303 C GLN A 83 -13.624 6.067 0.259 1.00 0.00 C ATOM 1304 O GLN A 83 -13.390 6.375 1.428 1.00 0.00 O ATOM 1305 CB GLN A 83 -13.658 4.390 -1.693 1.00 0.00 C ATOM 1306 CG GLN A 83 -15.064 3.759 -1.530 1.00 0.00 C ATOM 1307 CD GLN A 83 -15.727 3.537 -2.888 1.00 0.00 C ATOM 1308 OE1 GLN A 83 -15.210 3.970 -3.937 1.00 0.00 O ATOM 1309 NE2 GLN A 83 -16.882 2.858 -2.910 1.00 0.00 N ATOM 0 H GLN A 83 -13.793 3.250 0.691 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.951 5.144 -0.625 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.742 5.256 -2.349 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -13.012 3.670 -2.196 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -14.981 2.809 -1.003 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -15.689 4.409 -0.918 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -17.287 2.513 -2.040 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -17.356 2.686 -3.797 1.00 0.00 H new ATOM 1318 N GLN A 84 -14.451 6.834 -0.491 1.00 0.00 N ATOM 1319 CA GLN A 84 -15.234 7.940 0.036 1.00 0.00 C ATOM 1320 C GLN A 84 -16.723 7.597 0.018 1.00 0.00 C ATOM 1321 O GLN A 84 -17.121 6.478 -0.286 1.00 0.00 O ATOM 1322 CB GLN A 84 -14.929 9.284 -0.690 1.00 0.00 C ATOM 1323 CG GLN A 84 -15.377 9.372 -2.170 1.00 0.00 C ATOM 1324 CD GLN A 84 -15.054 10.739 -2.793 1.00 0.00 C ATOM 1325 OE1 GLN A 84 -14.375 11.599 -2.229 1.00 0.00 O ATOM 1326 NE2 GLN A 84 -15.566 10.957 -4.024 1.00 0.00 N ATOM 0 H GLN A 84 -14.584 6.687 -1.492 1.00 0.00 H new ATOM 0 HA GLN A 84 -14.937 8.091 1.074 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -15.410 10.090 -0.137 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.855 9.463 -0.645 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -14.885 8.587 -2.744 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -16.450 9.189 -2.235 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -16.126 10.236 -4.478 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -15.392 11.843 -4.499 1.00 0.00 H new ATOM 1335 N GLN A 85 -17.588 8.561 0.381 1.00 0.00 N ATOM 1336 CA GLN A 85 -19.011 8.350 0.579 1.00 0.00 C ATOM 1337 C GLN A 85 -19.808 8.479 -0.717 1.00 0.00 C ATOM 1338 O GLN A 85 -19.851 9.538 -1.342 1.00 0.00 O ATOM 1339 CB GLN A 85 -19.521 9.404 1.596 1.00 0.00 C ATOM 1340 CG GLN A 85 -18.860 9.277 2.993 1.00 0.00 C ATOM 1341 CD GLN A 85 -18.621 10.637 3.652 1.00 0.00 C ATOM 1342 OE1 GLN A 85 -17.484 11.006 3.958 1.00 0.00 O ATOM 1343 NE2 GLN A 85 -19.701 11.416 3.856 1.00 0.00 N ATOM 0 H GLN A 85 -17.299 9.525 0.545 1.00 0.00 H new ATOM 0 HA GLN A 85 -19.155 7.334 0.947 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -19.331 10.402 1.201 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -20.601 9.304 1.702 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -19.495 8.670 3.638 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -17.910 8.752 2.896 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -20.628 11.082 3.592 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -19.592 12.340 4.274 1.00 0.00 H new ATOM 1352 N THR A 86 -20.488 7.408 -1.166 1.00 0.00 N ATOM 1353 CA THR A 86 -21.266 7.432 -2.406 1.00 0.00 C ATOM 1354 C THR A 86 -22.650 8.044 -2.217 1.00 0.00 C ATOM 1355 O THR A 86 -23.657 7.351 -2.072 1.00 0.00 O ATOM 1356 CB THR A 86 -21.407 6.061 -3.071 1.00 0.00 C ATOM 1357 OG1 THR A 86 -21.911 5.072 -2.179 1.00 0.00 O ATOM 1358 CG2 THR A 86 -20.019 5.581 -3.521 1.00 0.00 C ATOM 0 H THR A 86 -20.510 6.511 -0.680 1.00 0.00 H new ATOM 0 HA THR A 86 -20.684 8.068 -3.073 1.00 0.00 H new ATOM 0 HB THR A 86 -22.102 6.181 -3.902 1.00 0.00 H new ATOM 0 HG1 THR A 86 -22.724 5.406 -1.746 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.108 4.604 -3.996 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.600 6.294 -4.232 1.00 0.00 H new ATOM 0 HG23 THR A 86 -19.362 5.504 -2.655 1.00 0.00 H new ATOM 1366 N GLY A 87 -22.751 9.387 -2.214 1.00 0.00 N ATOM 1367 CA GLY A 87 -24.040 10.058 -2.068 1.00 0.00 C ATOM 1368 C GLY A 87 -24.025 11.488 -2.521 1.00 0.00 C ATOM 1369 O GLY A 87 -24.409 12.400 -1.787 1.00 0.00 O ATOM 0 H GLY A 87 -21.956 10.018 -2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -24.791 9.512 -2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -24.344 10.020 -1.022 1.00 0.00 H new ATOM 1373 N GLY A 88 -23.584 11.732 -3.761 1.00 0.00 N ATOM 1374 CA GLY A 88 -23.592 13.048 -4.365 1.00 0.00 C ATOM 1375 C GLY A 88 -22.875 12.997 -5.708 1.00 0.00 C ATOM 1376 O GLY A 88 -22.340 11.924 -6.095 1.00 0.00 O ATOM 1377 OXT GLY A 88 -22.845 14.040 -6.417 1.00 0.00 O ATOM 0 H GLY A 88 -23.209 11.005 -4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -24.618 13.391 -4.502 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -23.102 13.765 -3.706 1.00 0.00 H new TER 1381 GLY A 88