USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 501 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: C 58 SER OG : rot 180:sc= 0 USER MOD Set 1.2: C 59 ASN : amide:sc= -1.37 X(o=-1.4,f=-1.1) USER MOD Set 2.1: C 18 SER OG : rot -87:sc= 0.0122 USER MOD Set 2.2: C 25 SER OG : rot 180:sc= 0.0626 USER MOD Single : C 9 THR OG1 : rot 32:sc= 0.333 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 16 TYR OH : rot 90:sc= -2.08! USER MOD Single : C 20 THR OG1 : rot 180:sc=-0.00638 USER MOD Single : C 22 THR OG1 : rot -135:sc= 0.104 USER MOD Single : C 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 33 GLN : amide:sc= -0.0629 X(o=-0.063,f=0) USER MOD Single : C 36 ASN : amide:sc= -0.0748 K(o=-0.075,f=0.59) USER MOD Single : C 37 ASN : amide:sc= -2.37! C(o=-2.4!,f=-2.1!) USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 46 HIS : no HD1:sc= -1.74 K(o=-1.7,f=-3.3) USER MOD Single : C 47 SER OG : rot 180:sc= 0 USER MOD Single : C 49 THR OG1 : rot 180:sc= 0 USER MOD Single : C 50 THR OG1 : rot 180:sc= 0 USER MOD Single : C 52 GLN : amide:sc= -0.0986 K(o=-0.099,f=-1.4) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0 USER MOD Single : C 55 TYR OH : rot 180:sc= 0 USER MOD Single : C 60 TYR OH : rot 1:sc= 0.182 USER MOD Single : C 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 11.998 29.757 -8.446 1.00 0.00 N ATOM 2 CA THR C 9 13.028 29.272 -7.484 1.00 0.00 C ATOM 3 C THR C 9 12.394 28.267 -6.520 1.00 0.00 C ATOM 4 O THR C 9 11.218 28.333 -6.224 1.00 0.00 O ATOM 5 CB THR C 9 13.582 30.459 -6.691 1.00 0.00 C ATOM 6 OG1 THR C 9 13.912 31.511 -7.587 1.00 0.00 O ATOM 7 CG2 THR C 9 14.834 30.025 -5.928 1.00 0.00 C ATOM 0 HA THR C 9 13.838 28.789 -8.031 1.00 0.00 H new ATOM 0 HB THR C 9 12.830 30.806 -5.982 1.00 0.00 H new ATOM 0 HG1 THR C 9 13.299 31.494 -8.351 1.00 0.00 H new ATOM 0 HG21 THR C 9 15.228 30.871 -5.364 1.00 0.00 H new ATOM 0 HG22 THR C 9 14.580 29.217 -5.241 1.00 0.00 H new ATOM 0 HG23 THR C 9 15.588 29.677 -6.634 1.00 0.00 H new ATOM 15 N PHE C 10 13.165 27.335 -6.028 1.00 0.00 N ATOM 16 CA PHE C 10 12.607 26.326 -5.084 1.00 0.00 C ATOM 17 C PHE C 10 13.215 26.535 -3.695 1.00 0.00 C ATOM 18 O PHE C 10 14.333 26.988 -3.558 1.00 0.00 O ATOM 19 CB PHE C 10 12.949 24.921 -5.582 1.00 0.00 C ATOM 20 CG PHE C 10 11.881 24.455 -6.575 1.00 0.00 C ATOM 21 CD1 PHE C 10 11.494 25.271 -7.623 1.00 0.00 C ATOM 22 CD2 PHE C 10 11.293 23.210 -6.441 1.00 0.00 C ATOM 23 CE1 PHE C 10 10.535 24.849 -8.521 1.00 0.00 C ATOM 24 CE2 PHE C 10 10.334 22.789 -7.338 1.00 0.00 C ATOM 25 CZ PHE C 10 9.955 23.608 -8.379 1.00 0.00 C ATOM 0 H PHE C 10 14.157 27.229 -6.239 1.00 0.00 H new ATOM 0 HA PHE C 10 11.524 26.440 -5.028 1.00 0.00 H new ATOM 0 HB2 PHE C 10 13.929 24.922 -6.060 1.00 0.00 H new ATOM 0 HB3 PHE C 10 13.005 24.230 -4.741 1.00 0.00 H new ATOM 0 HD1 PHE C 10 11.946 26.245 -7.739 1.00 0.00 H new ATOM 0 HD2 PHE C 10 11.587 22.563 -5.628 1.00 0.00 H new ATOM 0 HE1 PHE C 10 10.239 25.493 -9.336 1.00 0.00 H new ATOM 0 HE2 PHE C 10 9.879 21.816 -7.224 1.00 0.00 H new ATOM 0 HZ PHE C 10 9.205 23.278 -9.082 1.00 0.00 H new ATOM 35 N VAL C 11 12.485 26.208 -2.662 1.00 0.00 N ATOM 36 CA VAL C 11 13.022 26.387 -1.284 1.00 0.00 C ATOM 37 C VAL C 11 12.839 25.090 -0.492 1.00 0.00 C ATOM 38 O VAL C 11 11.814 24.443 -0.570 1.00 0.00 O ATOM 39 CB VAL C 11 12.268 27.520 -0.586 1.00 0.00 C ATOM 40 CG1 VAL C 11 12.846 27.733 0.814 1.00 0.00 C ATOM 41 CG2 VAL C 11 12.416 28.808 -1.400 1.00 0.00 C ATOM 0 H VAL C 11 11.541 25.825 -2.714 1.00 0.00 H new ATOM 0 HA VAL C 11 14.082 26.634 -1.337 1.00 0.00 H new ATOM 0 HB VAL C 11 11.213 27.258 -0.507 1.00 0.00 H new ATOM 0 HG11 VAL C 11 12.308 28.541 1.311 1.00 0.00 H new ATOM 0 HG12 VAL C 11 12.741 26.816 1.394 1.00 0.00 H new ATOM 0 HG13 VAL C 11 13.901 27.994 0.736 1.00 0.00 H new ATOM 0 HG21 VAL C 11 11.879 29.616 -0.903 1.00 0.00 H new ATOM 0 HG22 VAL C 11 13.471 29.069 -1.480 1.00 0.00 H new ATOM 0 HG23 VAL C 11 12.003 28.657 -2.398 1.00 0.00 H new ATOM 51 N ALA C 12 13.824 24.706 0.272 1.00 0.00 N ATOM 52 CA ALA C 12 13.705 23.452 1.067 1.00 0.00 C ATOM 53 C ALA C 12 12.789 23.693 2.270 1.00 0.00 C ATOM 54 O ALA C 12 13.182 24.291 3.251 1.00 0.00 O ATOM 55 CB ALA C 12 15.090 23.026 1.560 1.00 0.00 C ATOM 0 H ALA C 12 14.706 25.207 0.380 1.00 0.00 H new ATOM 0 HA ALA C 12 13.283 22.666 0.441 1.00 0.00 H new ATOM 0 HB1 ALA C 12 15.003 22.108 2.142 1.00 0.00 H new ATOM 0 HB2 ALA C 12 15.743 22.853 0.705 1.00 0.00 H new ATOM 0 HB3 ALA C 12 15.512 23.813 2.185 1.00 0.00 H new ATOM 61 N LEU C 13 11.570 23.231 2.200 1.00 0.00 N ATOM 62 CA LEU C 13 10.632 23.435 3.340 1.00 0.00 C ATOM 63 C LEU C 13 11.165 22.713 4.576 1.00 0.00 C ATOM 64 O LEU C 13 11.356 23.305 5.621 1.00 0.00 O ATOM 65 CB LEU C 13 9.257 22.863 2.988 1.00 0.00 C ATOM 66 CG LEU C 13 8.798 23.414 1.638 1.00 0.00 C ATOM 67 CD1 LEU C 13 7.457 22.782 1.266 1.00 0.00 C ATOM 68 CD2 LEU C 13 8.637 24.933 1.736 1.00 0.00 C ATOM 0 H LEU C 13 11.184 22.722 1.405 1.00 0.00 H new ATOM 0 HA LEU C 13 10.545 24.503 3.542 1.00 0.00 H new ATOM 0 HB2 LEU C 13 9.304 21.775 2.950 1.00 0.00 H new ATOM 0 HB3 LEU C 13 8.535 23.124 3.762 1.00 0.00 H new ATOM 0 HG LEU C 13 9.539 23.177 0.874 1.00 0.00 H new ATOM 0 HD11 LEU C 13 7.125 23.172 0.304 1.00 0.00 H new ATOM 0 HD12 LEU C 13 7.571 21.700 1.199 1.00 0.00 H new ATOM 0 HD13 LEU C 13 6.717 23.023 2.029 1.00 0.00 H new ATOM 0 HD21 LEU C 13 8.310 25.327 0.774 1.00 0.00 H new ATOM 0 HD22 LEU C 13 7.895 25.172 2.497 1.00 0.00 H new ATOM 0 HD23 LEU C 13 9.592 25.383 2.007 1.00 0.00 H new ATOM 80 N TYR C 14 11.410 21.437 4.466 1.00 0.00 N ATOM 81 CA TYR C 14 11.930 20.678 5.637 1.00 0.00 C ATOM 82 C TYR C 14 13.418 20.390 5.439 1.00 0.00 C ATOM 83 O TYR C 14 13.936 20.468 4.342 1.00 0.00 O ATOM 84 CB TYR C 14 11.170 19.354 5.772 1.00 0.00 C ATOM 85 CG TYR C 14 9.727 19.527 5.283 1.00 0.00 C ATOM 86 CD1 TYR C 14 9.067 20.730 5.440 1.00 0.00 C ATOM 87 CD2 TYR C 14 9.067 18.479 4.676 1.00 0.00 C ATOM 88 CE1 TYR C 14 7.768 20.880 4.999 1.00 0.00 C ATOM 89 CE2 TYR C 14 7.767 18.628 4.236 1.00 0.00 C ATOM 90 CZ TYR C 14 7.108 19.831 4.394 1.00 0.00 C ATOM 91 OH TYR C 14 5.809 19.980 3.953 1.00 0.00 O ATOM 0 H TYR C 14 11.273 20.888 3.617 1.00 0.00 H new ATOM 0 HA TYR C 14 11.790 21.271 6.541 1.00 0.00 H new ATOM 0 HB2 TYR C 14 11.669 18.578 5.192 1.00 0.00 H new ATOM 0 HB3 TYR C 14 11.174 19.027 6.812 1.00 0.00 H new ATOM 0 HD1 TYR C 14 9.572 21.560 5.912 1.00 0.00 H new ATOM 0 HD2 TYR C 14 9.572 17.533 4.544 1.00 0.00 H new ATOM 0 HE1 TYR C 14 7.264 21.826 5.129 1.00 0.00 H new ATOM 0 HE2 TYR C 14 7.262 17.798 3.765 1.00 0.00 H new ATOM 0 HH TYR C 14 5.502 19.141 3.551 1.00 0.00 H new ATOM 101 N ASP C 15 14.111 20.060 6.493 1.00 0.00 N ATOM 102 CA ASP C 15 15.563 19.768 6.369 1.00 0.00 C ATOM 103 C ASP C 15 15.752 18.408 5.696 1.00 0.00 C ATOM 104 O ASP C 15 14.871 17.571 5.703 1.00 0.00 O ATOM 105 CB ASP C 15 16.193 19.741 7.761 1.00 0.00 C ATOM 106 CG ASP C 15 15.276 18.986 8.725 1.00 0.00 C ATOM 107 OD1 ASP C 15 15.165 17.780 8.583 1.00 0.00 O ATOM 108 OD2 ASP C 15 14.700 19.627 9.589 1.00 0.00 O ATOM 0 H ASP C 15 13.732 19.980 7.437 1.00 0.00 H new ATOM 0 HA ASP C 15 16.042 20.540 5.767 1.00 0.00 H new ATOM 0 HB2 ASP C 15 17.170 19.259 7.720 1.00 0.00 H new ATOM 0 HB3 ASP C 15 16.354 20.758 8.118 1.00 0.00 H new ATOM 113 N TYR C 16 16.896 18.181 5.113 1.00 0.00 N ATOM 114 CA TYR C 16 17.147 16.876 4.439 1.00 0.00 C ATOM 115 C TYR C 16 18.595 16.456 4.687 1.00 0.00 C ATOM 116 O TYR C 16 19.467 16.694 3.874 1.00 0.00 O ATOM 117 CB TYR C 16 16.907 17.019 2.935 1.00 0.00 C ATOM 118 CG TYR C 16 17.428 15.772 2.218 1.00 0.00 C ATOM 119 CD1 TYR C 16 17.282 14.524 2.789 1.00 0.00 C ATOM 120 CD2 TYR C 16 18.051 15.877 0.992 1.00 0.00 C ATOM 121 CE1 TYR C 16 17.750 13.398 2.141 1.00 0.00 C ATOM 122 CE2 TYR C 16 18.518 14.752 0.344 1.00 0.00 C ATOM 123 CZ TYR C 16 18.372 13.503 0.914 1.00 0.00 C ATOM 124 OH TYR C 16 18.839 12.378 0.266 1.00 0.00 O ATOM 0 H TYR C 16 17.670 18.844 5.074 1.00 0.00 H new ATOM 0 HA TYR C 16 16.470 16.121 4.840 1.00 0.00 H new ATOM 0 HB2 TYR C 16 15.843 17.149 2.736 1.00 0.00 H new ATOM 0 HB3 TYR C 16 17.413 17.908 2.557 1.00 0.00 H new ATOM 0 HD1 TYR C 16 16.798 14.427 3.750 1.00 0.00 H new ATOM 0 HD2 TYR C 16 18.174 16.848 0.535 1.00 0.00 H new ATOM 0 HE1 TYR C 16 17.628 12.427 2.598 1.00 0.00 H new ATOM 0 HE2 TYR C 16 19.002 14.849 -0.617 1.00 0.00 H new ATOM 0 HH TYR C 16 18.133 12.015 -0.309 1.00 0.00 H new ATOM 134 N GLU C 17 18.856 15.842 5.807 1.00 0.00 N ATOM 135 CA GLU C 17 20.243 15.402 6.117 1.00 0.00 C ATOM 136 C GLU C 17 20.483 14.009 5.530 1.00 0.00 C ATOM 137 O GLU C 17 20.188 13.005 6.149 1.00 0.00 O ATOM 138 CB GLU C 17 20.431 15.351 7.637 1.00 0.00 C ATOM 139 CG GLU C 17 19.461 16.320 8.320 1.00 0.00 C ATOM 140 CD GLU C 17 19.875 16.512 9.781 1.00 0.00 C ATOM 141 OE1 GLU C 17 19.792 15.553 10.532 1.00 0.00 O ATOM 142 OE2 GLU C 17 20.267 17.615 10.126 1.00 0.00 O ATOM 0 H GLU C 17 18.164 15.625 6.524 1.00 0.00 H new ATOM 0 HA GLU C 17 20.953 16.106 5.682 1.00 0.00 H new ATOM 0 HB2 GLU C 17 20.259 14.337 7.999 1.00 0.00 H new ATOM 0 HB3 GLU C 17 21.458 15.611 7.893 1.00 0.00 H new ATOM 0 HG2 GLU C 17 19.463 17.279 7.801 1.00 0.00 H new ATOM 0 HG3 GLU C 17 18.444 15.931 8.267 1.00 0.00 H new ATOM 149 N SER C 18 21.016 13.937 4.340 1.00 0.00 N ATOM 150 CA SER C 18 21.274 12.608 3.719 1.00 0.00 C ATOM 151 C SER C 18 22.309 11.853 4.555 1.00 0.00 C ATOM 152 O SER C 18 22.903 12.400 5.463 1.00 0.00 O ATOM 153 CB SER C 18 21.806 12.805 2.297 1.00 0.00 C ATOM 154 OG SER C 18 23.223 12.704 2.303 1.00 0.00 O ATOM 0 H SER C 18 21.283 14.741 3.772 1.00 0.00 H new ATOM 0 HA SER C 18 20.348 12.034 3.681 1.00 0.00 H new ATOM 0 HB2 SER C 18 21.380 12.055 1.631 1.00 0.00 H new ATOM 0 HB3 SER C 18 21.502 13.780 1.915 1.00 0.00 H new ATOM 0 HG SER C 18 23.613 13.581 2.503 1.00 0.00 H new ATOM 160 N ARG C 19 22.531 10.602 4.259 1.00 0.00 N ATOM 161 CA ARG C 19 23.530 9.822 5.042 1.00 0.00 C ATOM 162 C ARG C 19 24.472 9.081 4.088 1.00 0.00 C ATOM 163 O ARG C 19 24.682 7.891 4.208 1.00 0.00 O ATOM 164 CB ARG C 19 22.801 8.808 5.928 1.00 0.00 C ATOM 165 CG ARG C 19 22.643 9.380 7.339 1.00 0.00 C ATOM 166 CD ARG C 19 21.476 10.370 7.364 1.00 0.00 C ATOM 167 NE ARG C 19 21.264 10.853 8.760 1.00 0.00 N ATOM 168 CZ ARG C 19 20.659 10.093 9.633 1.00 0.00 C ATOM 169 NH1 ARG C 19 20.232 8.908 9.289 1.00 0.00 N ATOM 170 NH2 ARG C 19 20.477 10.520 10.852 1.00 0.00 N ATOM 0 H ARG C 19 22.065 10.088 3.511 1.00 0.00 H new ATOM 0 HA ARG C 19 24.111 10.502 5.665 1.00 0.00 H new ATOM 0 HB2 ARG C 19 21.823 8.578 5.506 1.00 0.00 H new ATOM 0 HB3 ARG C 19 23.360 7.873 5.964 1.00 0.00 H new ATOM 0 HG2 ARG C 19 22.465 8.574 8.051 1.00 0.00 H new ATOM 0 HG3 ARG C 19 23.563 9.879 7.645 1.00 0.00 H new ATOM 0 HD2 ARG C 19 21.685 11.212 6.704 1.00 0.00 H new ATOM 0 HD3 ARG C 19 20.570 9.891 6.992 1.00 0.00 H new ATOM 0 HE ARG C 19 21.592 11.779 9.033 1.00 0.00 H new ATOM 0 HH11 ARG C 19 20.371 8.573 8.336 1.00 0.00 H new ATOM 0 HH12 ARG C 19 19.760 8.317 9.974 1.00 0.00 H new ATOM 0 HH21 ARG C 19 20.807 11.446 11.122 1.00 0.00 H new ATOM 0 HH22 ARG C 19 20.005 9.927 11.535 1.00 0.00 H new ATOM 184 N THR C 20 25.042 9.778 3.140 1.00 0.00 N ATOM 185 CA THR C 20 25.970 9.114 2.179 1.00 0.00 C ATOM 186 C THR C 20 26.463 10.138 1.153 1.00 0.00 C ATOM 187 O THR C 20 26.141 11.307 1.227 1.00 0.00 O ATOM 188 CB THR C 20 25.239 7.978 1.460 1.00 0.00 C ATOM 189 OG1 THR C 20 26.172 7.220 0.701 1.00 0.00 O ATOM 190 CG2 THR C 20 24.179 8.563 0.530 1.00 0.00 C ATOM 0 H THR C 20 24.905 10.778 2.990 1.00 0.00 H new ATOM 0 HA THR C 20 26.823 8.707 2.722 1.00 0.00 H new ATOM 0 HB THR C 20 24.759 7.331 2.195 1.00 0.00 H new ATOM 0 HG1 THR C 20 25.705 6.491 0.242 1.00 0.00 H new ATOM 0 HG21 THR C 20 23.658 7.754 0.018 1.00 0.00 H new ATOM 0 HG22 THR C 20 23.464 9.143 1.113 1.00 0.00 H new ATOM 0 HG23 THR C 20 24.657 9.210 -0.206 1.00 0.00 H new ATOM 198 N GLU C 21 27.243 9.710 0.198 1.00 0.00 N ATOM 199 CA GLU C 21 27.756 10.661 -0.831 1.00 0.00 C ATOM 200 C GLU C 21 26.797 10.721 -2.025 1.00 0.00 C ATOM 201 O GLU C 21 27.197 10.549 -3.159 1.00 0.00 O ATOM 202 CB GLU C 21 29.133 10.197 -1.311 1.00 0.00 C ATOM 203 CG GLU C 21 29.924 11.401 -1.825 1.00 0.00 C ATOM 204 CD GLU C 21 31.129 10.915 -2.631 1.00 0.00 C ATOM 205 OE1 GLU C 21 30.919 10.347 -3.691 1.00 0.00 O ATOM 206 OE2 GLU C 21 32.242 11.118 -2.175 1.00 0.00 O ATOM 0 H GLU C 21 27.548 8.743 0.085 1.00 0.00 H new ATOM 0 HA GLU C 21 27.833 11.654 -0.387 1.00 0.00 H new ATOM 0 HB2 GLU C 21 29.672 9.716 -0.495 1.00 0.00 H new ATOM 0 HB3 GLU C 21 29.024 9.455 -2.102 1.00 0.00 H new ATOM 0 HG2 GLU C 21 29.287 12.029 -2.447 1.00 0.00 H new ATOM 0 HG3 GLU C 21 30.257 12.015 -0.988 1.00 0.00 H new ATOM 213 N THR C 22 25.537 10.963 -1.784 1.00 0.00 N ATOM 214 CA THR C 22 24.565 11.032 -2.914 1.00 0.00 C ATOM 215 C THR C 22 23.786 12.353 -2.819 1.00 0.00 C ATOM 216 O THR C 22 24.371 13.390 -2.580 1.00 0.00 O ATOM 217 CB THR C 22 23.616 9.826 -2.849 1.00 0.00 C ATOM 218 OG1 THR C 22 22.850 9.758 -4.045 1.00 0.00 O ATOM 219 CG2 THR C 22 22.682 9.956 -1.643 1.00 0.00 C ATOM 0 H THR C 22 25.139 11.115 -0.857 1.00 0.00 H new ATOM 0 HA THR C 22 25.090 11.001 -3.869 1.00 0.00 H new ATOM 0 HB THR C 22 24.204 8.915 -2.743 1.00 0.00 H new ATOM 0 HG1 THR C 22 21.912 9.584 -3.823 1.00 0.00 H new ATOM 0 HG21 THR C 22 22.013 9.096 -1.606 1.00 0.00 H new ATOM 0 HG22 THR C 22 23.273 9.996 -0.728 1.00 0.00 H new ATOM 0 HG23 THR C 22 22.094 10.869 -1.735 1.00 0.00 H new ATOM 227 N ASP C 23 22.486 12.326 -3.029 1.00 0.00 N ATOM 228 CA ASP C 23 21.660 13.582 -2.951 1.00 0.00 C ATOM 229 C ASP C 23 22.304 14.588 -1.993 1.00 0.00 C ATOM 230 O ASP C 23 22.708 14.248 -0.898 1.00 0.00 O ATOM 231 CB ASP C 23 20.239 13.271 -2.443 1.00 0.00 C ATOM 232 CG ASP C 23 19.955 11.766 -2.489 1.00 0.00 C ATOM 233 OD1 ASP C 23 19.796 11.246 -3.580 1.00 0.00 O ATOM 234 OD2 ASP C 23 19.899 11.162 -1.430 1.00 0.00 O ATOM 0 H ASP C 23 21.958 11.482 -3.253 1.00 0.00 H new ATOM 0 HA ASP C 23 21.608 14.003 -3.955 1.00 0.00 H new ATOM 0 HB2 ASP C 23 20.127 13.635 -1.422 1.00 0.00 H new ATOM 0 HB3 ASP C 23 19.507 13.801 -3.052 1.00 0.00 H new ATOM 239 N LEU C 24 22.403 15.824 -2.399 1.00 0.00 N ATOM 240 CA LEU C 24 23.021 16.854 -1.516 1.00 0.00 C ATOM 241 C LEU C 24 22.066 17.189 -0.370 1.00 0.00 C ATOM 242 O LEU C 24 20.928 17.557 -0.585 1.00 0.00 O ATOM 243 CB LEU C 24 23.301 18.119 -2.328 1.00 0.00 C ATOM 244 CG LEU C 24 24.619 17.959 -3.090 1.00 0.00 C ATOM 245 CD1 LEU C 24 24.863 19.201 -3.950 1.00 0.00 C ATOM 246 CD2 LEU C 24 25.768 17.797 -2.094 1.00 0.00 C ATOM 0 H LEU C 24 22.082 16.166 -3.305 1.00 0.00 H new ATOM 0 HA LEU C 24 23.955 16.466 -1.108 1.00 0.00 H new ATOM 0 HB2 LEU C 24 22.485 18.303 -3.027 1.00 0.00 H new ATOM 0 HB3 LEU C 24 23.354 18.984 -1.666 1.00 0.00 H new ATOM 0 HG LEU C 24 24.565 17.077 -3.729 1.00 0.00 H new ATOM 0 HD11 LEU C 24 25.801 19.089 -4.493 1.00 0.00 H new ATOM 0 HD12 LEU C 24 24.044 19.319 -4.660 1.00 0.00 H new ATOM 0 HD13 LEU C 24 24.917 20.082 -3.310 1.00 0.00 H new ATOM 0 HD21 LEU C 24 26.706 17.683 -2.637 1.00 0.00 H new ATOM 0 HD22 LEU C 24 25.823 18.679 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU C 24 25.595 16.914 -1.479 1.00 0.00 H new ATOM 258 N SER C 25 22.518 17.066 0.846 1.00 0.00 N ATOM 259 CA SER C 25 21.639 17.378 2.004 1.00 0.00 C ATOM 260 C SER C 25 21.416 18.890 2.077 1.00 0.00 C ATOM 261 O SER C 25 22.314 19.668 1.827 1.00 0.00 O ATOM 262 CB SER C 25 22.313 16.902 3.291 1.00 0.00 C ATOM 263 OG SER C 25 23.200 15.835 2.993 1.00 0.00 O ATOM 0 H SER C 25 23.461 16.762 1.087 1.00 0.00 H new ATOM 0 HA SER C 25 20.681 16.873 1.884 1.00 0.00 H new ATOM 0 HB2 SER C 25 22.859 17.724 3.754 1.00 0.00 H new ATOM 0 HB3 SER C 25 21.561 16.574 4.009 1.00 0.00 H new ATOM 0 HG SER C 25 23.634 15.530 3.817 1.00 0.00 H new ATOM 269 N PHE C 26 20.230 19.314 2.415 1.00 0.00 N ATOM 270 CA PHE C 26 19.966 20.779 2.499 1.00 0.00 C ATOM 271 C PHE C 26 19.094 21.080 3.720 1.00 0.00 C ATOM 272 O PHE C 26 18.044 20.500 3.905 1.00 0.00 O ATOM 273 CB PHE C 26 19.254 21.255 1.227 1.00 0.00 C ATOM 274 CG PHE C 26 17.991 20.427 0.993 1.00 0.00 C ATOM 275 CD1 PHE C 26 16.824 20.738 1.663 1.00 0.00 C ATOM 276 CD2 PHE C 26 17.993 19.373 0.097 1.00 0.00 C ATOM 277 CE1 PHE C 26 15.675 20.007 1.444 1.00 0.00 C ATOM 278 CE2 PHE C 26 16.843 18.642 -0.123 1.00 0.00 C ATOM 279 CZ PHE C 26 15.684 18.959 0.550 1.00 0.00 C ATOM 0 H PHE C 26 19.435 18.714 2.636 1.00 0.00 H new ATOM 0 HA PHE C 26 20.915 21.306 2.596 1.00 0.00 H new ATOM 0 HB2 PHE C 26 18.995 22.310 1.318 1.00 0.00 H new ATOM 0 HB3 PHE C 26 19.922 21.164 0.371 1.00 0.00 H new ATOM 0 HD1 PHE C 26 16.811 21.560 2.364 1.00 0.00 H new ATOM 0 HD2 PHE C 26 18.899 19.121 -0.433 1.00 0.00 H new ATOM 0 HE1 PHE C 26 14.768 20.256 1.974 1.00 0.00 H new ATOM 0 HE2 PHE C 26 16.852 17.820 -0.824 1.00 0.00 H new ATOM 0 HZ PHE C 26 14.784 18.387 0.377 1.00 0.00 H new ATOM 289 N LYS C 27 19.525 21.983 4.557 1.00 0.00 N ATOM 290 CA LYS C 27 18.726 22.324 5.766 1.00 0.00 C ATOM 291 C LYS C 27 17.516 23.168 5.359 1.00 0.00 C ATOM 292 O LYS C 27 17.271 23.396 4.191 1.00 0.00 O ATOM 293 CB LYS C 27 19.598 23.118 6.739 1.00 0.00 C ATOM 294 CG LYS C 27 20.424 24.148 5.966 1.00 0.00 C ATOM 295 CD LYS C 27 20.412 25.481 6.718 1.00 0.00 C ATOM 296 CE LYS C 27 21.454 25.444 7.837 1.00 0.00 C ATOM 297 NZ LYS C 27 20.824 25.877 9.117 1.00 0.00 N ATOM 0 H LYS C 27 20.398 22.500 4.455 1.00 0.00 H new ATOM 0 HA LYS C 27 18.382 21.408 6.246 1.00 0.00 H new ATOM 0 HB2 LYS C 27 18.972 23.619 7.478 1.00 0.00 H new ATOM 0 HB3 LYS C 27 20.258 22.444 7.285 1.00 0.00 H new ATOM 0 HG2 LYS C 27 21.448 23.794 5.848 1.00 0.00 H new ATOM 0 HG3 LYS C 27 20.015 24.280 4.964 1.00 0.00 H new ATOM 0 HD2 LYS C 27 20.628 26.300 6.032 1.00 0.00 H new ATOM 0 HD3 LYS C 27 19.422 25.667 7.134 1.00 0.00 H new ATOM 0 HE2 LYS C 27 21.857 24.436 7.940 1.00 0.00 H new ATOM 0 HE3 LYS C 27 22.291 26.098 7.591 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 21.532 25.852 9.878 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 20.460 26.846 9.014 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 20.040 25.236 9.352 1.00 0.00 H new ATOM 311 N LYS C 28 16.758 23.634 6.315 1.00 0.00 N ATOM 312 CA LYS C 28 15.565 24.463 5.983 1.00 0.00 C ATOM 313 C LYS C 28 16.009 25.899 5.698 1.00 0.00 C ATOM 314 O LYS C 28 16.964 26.388 6.266 1.00 0.00 O ATOM 315 CB LYS C 28 14.592 24.454 7.163 1.00 0.00 C ATOM 316 CG LYS C 28 13.519 25.523 6.948 1.00 0.00 C ATOM 317 CD LYS C 28 12.661 25.647 8.209 1.00 0.00 C ATOM 318 CE LYS C 28 11.800 26.908 8.118 1.00 0.00 C ATOM 319 NZ LYS C 28 11.344 27.298 9.482 1.00 0.00 N ATOM 0 H LYS C 28 16.914 23.476 7.311 1.00 0.00 H new ATOM 0 HA LYS C 28 15.070 24.053 5.103 1.00 0.00 H new ATOM 0 HB2 LYS C 28 14.128 23.472 7.258 1.00 0.00 H new ATOM 0 HB3 LYS C 28 15.129 24.644 8.092 1.00 0.00 H new ATOM 0 HG2 LYS C 28 13.986 26.481 6.718 1.00 0.00 H new ATOM 0 HG3 LYS C 28 12.894 25.259 6.095 1.00 0.00 H new ATOM 0 HD2 LYS C 28 12.026 24.768 8.318 1.00 0.00 H new ATOM 0 HD3 LYS C 28 13.298 25.692 9.092 1.00 0.00 H new ATOM 0 HE2 LYS C 28 12.372 27.720 7.668 1.00 0.00 H new ATOM 0 HE3 LYS C 28 10.940 26.728 7.473 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 10.759 28.155 9.420 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 10.784 26.525 9.895 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 12.171 27.486 10.084 1.00 0.00 H new ATOM 333 N GLY C 29 15.320 26.579 4.822 1.00 0.00 N ATOM 334 CA GLY C 29 15.704 27.983 4.503 1.00 0.00 C ATOM 335 C GLY C 29 16.742 27.982 3.379 1.00 0.00 C ATOM 336 O GLY C 29 16.980 28.987 2.739 1.00 0.00 O ATOM 0 H GLY C 29 14.510 26.224 4.315 1.00 0.00 H new ATOM 0 HA2 GLY C 29 14.825 28.553 4.201 1.00 0.00 H new ATOM 0 HA3 GLY C 29 16.111 28.471 5.389 1.00 0.00 H new ATOM 340 N GLU C 30 17.363 26.860 3.135 1.00 0.00 N ATOM 341 CA GLU C 30 18.386 26.795 2.054 1.00 0.00 C ATOM 342 C GLU C 30 17.697 26.933 0.695 1.00 0.00 C ATOM 343 O GLU C 30 16.603 26.447 0.490 1.00 0.00 O ATOM 344 CB GLU C 30 19.117 25.453 2.123 1.00 0.00 C ATOM 345 CG GLU C 30 20.248 25.436 1.092 1.00 0.00 C ATOM 346 CD GLU C 30 21.597 25.487 1.814 1.00 0.00 C ATOM 347 OE1 GLU C 30 22.000 26.574 2.198 1.00 0.00 O ATOM 348 OE2 GLU C 30 22.204 24.441 1.969 1.00 0.00 O ATOM 0 H GLU C 30 17.206 25.986 3.637 1.00 0.00 H new ATOM 0 HA GLU C 30 19.104 27.605 2.182 1.00 0.00 H new ATOM 0 HB2 GLU C 30 19.520 25.297 3.124 1.00 0.00 H new ATOM 0 HB3 GLU C 30 18.421 24.637 1.929 1.00 0.00 H new ATOM 0 HG2 GLU C 30 20.184 24.536 0.481 1.00 0.00 H new ATOM 0 HG3 GLU C 30 20.152 26.287 0.417 1.00 0.00 H new ATOM 355 N ARG C 31 18.331 27.591 -0.237 1.00 0.00 N ATOM 356 CA ARG C 31 17.713 27.760 -1.582 1.00 0.00 C ATOM 357 C ARG C 31 18.268 26.700 -2.536 1.00 0.00 C ATOM 358 O ARG C 31 19.462 26.483 -2.610 1.00 0.00 O ATOM 359 CB ARG C 31 18.040 29.153 -2.119 1.00 0.00 C ATOM 360 CG ARG C 31 17.022 30.160 -1.577 1.00 0.00 C ATOM 361 CD ARG C 31 17.334 31.555 -2.122 1.00 0.00 C ATOM 362 NE ARG C 31 17.833 32.423 -1.013 1.00 0.00 N ATOM 363 CZ ARG C 31 19.106 32.452 -0.706 1.00 0.00 C ATOM 364 NH1 ARG C 31 19.968 31.727 -1.368 1.00 0.00 N ATOM 365 NH2 ARG C 31 19.517 33.214 0.270 1.00 0.00 N ATOM 0 H ARG C 31 19.250 28.019 -0.125 1.00 0.00 H new ATOM 0 HA ARG C 31 16.632 27.645 -1.504 1.00 0.00 H new ATOM 0 HB2 ARG C 31 19.048 29.442 -1.821 1.00 0.00 H new ATOM 0 HB3 ARG C 31 18.019 29.149 -3.209 1.00 0.00 H new ATOM 0 HG2 ARG C 31 16.014 29.863 -1.866 1.00 0.00 H new ATOM 0 HG3 ARG C 31 17.051 30.170 -0.487 1.00 0.00 H new ATOM 0 HD2 ARG C 31 18.082 31.490 -2.912 1.00 0.00 H new ATOM 0 HD3 ARG C 31 16.440 31.992 -2.566 1.00 0.00 H new ATOM 0 HE ARG C 31 17.175 33.000 -0.489 1.00 0.00 H new ATOM 0 HH11 ARG C 31 19.652 31.130 -2.133 1.00 0.00 H new ATOM 0 HH12 ARG C 31 20.957 31.758 -1.120 1.00 0.00 H new ATOM 0 HH21 ARG C 31 18.848 33.783 0.789 1.00 0.00 H new ATOM 0 HH22 ARG C 31 20.507 33.241 0.514 1.00 0.00 H new ATOM 379 N LEU C 32 17.413 26.038 -3.265 1.00 0.00 N ATOM 380 CA LEU C 32 17.892 24.994 -4.214 1.00 0.00 C ATOM 381 C LEU C 32 17.361 25.297 -5.617 1.00 0.00 C ATOM 382 O LEU C 32 16.256 25.775 -5.783 1.00 0.00 O ATOM 383 CB LEU C 32 17.385 23.624 -3.761 1.00 0.00 C ATOM 384 CG LEU C 32 18.298 23.081 -2.661 1.00 0.00 C ATOM 385 CD1 LEU C 32 17.506 22.949 -1.358 1.00 0.00 C ATOM 386 CD2 LEU C 32 18.833 21.708 -3.073 1.00 0.00 C ATOM 0 H LEU C 32 16.402 26.175 -3.245 1.00 0.00 H new ATOM 0 HA LEU C 32 18.982 24.991 -4.232 1.00 0.00 H new ATOM 0 HB2 LEU C 32 16.363 23.706 -3.392 1.00 0.00 H new ATOM 0 HB3 LEU C 32 17.365 22.935 -4.605 1.00 0.00 H new ATOM 0 HG LEU C 32 19.132 23.766 -2.511 1.00 0.00 H new ATOM 0 HD11 LEU C 32 18.157 22.562 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU C 32 17.125 23.927 -1.063 1.00 0.00 H new ATOM 0 HD13 LEU C 32 16.671 22.264 -1.507 1.00 0.00 H new ATOM 0 HD21 LEU C 32 19.484 21.321 -2.289 1.00 0.00 H new ATOM 0 HD22 LEU C 32 17.999 21.023 -3.223 1.00 0.00 H new ATOM 0 HD23 LEU C 32 19.398 21.801 -4.000 1.00 0.00 H new ATOM 398 N GLN C 33 18.140 25.025 -6.629 1.00 0.00 N ATOM 399 CA GLN C 33 17.678 25.299 -8.020 1.00 0.00 C ATOM 400 C GLN C 33 17.351 23.979 -8.721 1.00 0.00 C ATOM 401 O GLN C 33 18.215 23.329 -9.274 1.00 0.00 O ATOM 402 CB GLN C 33 18.784 26.024 -8.788 1.00 0.00 C ATOM 403 CG GLN C 33 18.163 26.864 -9.906 1.00 0.00 C ATOM 404 CD GLN C 33 19.232 27.775 -10.513 1.00 0.00 C ATOM 405 OE1 GLN C 33 19.491 27.720 -11.700 1.00 0.00 O ATOM 406 NE2 GLN C 33 19.868 28.616 -9.745 1.00 0.00 N ATOM 0 H GLN C 33 19.075 24.625 -6.553 1.00 0.00 H new ATOM 0 HA GLN C 33 16.785 25.923 -7.990 1.00 0.00 H new ATOM 0 HB2 GLN C 33 19.352 26.663 -8.112 1.00 0.00 H new ATOM 0 HB3 GLN C 33 19.484 25.301 -9.208 1.00 0.00 H new ATOM 0 HG2 GLN C 33 17.745 26.214 -10.675 1.00 0.00 H new ATOM 0 HG3 GLN C 33 17.341 27.462 -9.512 1.00 0.00 H new ATOM 0 HE21 GLN C 33 19.651 28.662 -8.749 1.00 0.00 H new ATOM 0 HE22 GLN C 33 20.582 29.227 -10.140 1.00 0.00 H new ATOM 415 N ILE C 34 16.108 23.580 -8.707 1.00 0.00 N ATOM 416 CA ILE C 34 15.730 22.302 -9.375 1.00 0.00 C ATOM 417 C ILE C 34 16.309 22.275 -10.791 1.00 0.00 C ATOM 418 O ILE C 34 16.545 23.304 -11.395 1.00 0.00 O ATOM 419 CB ILE C 34 14.206 22.194 -9.445 1.00 0.00 C ATOM 420 CG1 ILE C 34 13.625 22.204 -8.029 1.00 0.00 C ATOM 421 CG2 ILE C 34 13.820 20.888 -10.143 1.00 0.00 C ATOM 422 CD1 ILE C 34 14.312 21.124 -7.190 1.00 0.00 C ATOM 0 H ILE C 34 15.339 24.083 -8.263 1.00 0.00 H new ATOM 0 HA ILE C 34 16.128 21.463 -8.804 1.00 0.00 H new ATOM 0 HB ILE C 34 13.809 23.040 -10.006 1.00 0.00 H new ATOM 0 HG12 ILE C 34 13.770 23.183 -7.571 1.00 0.00 H new ATOM 0 HG13 ILE C 34 12.550 22.024 -8.064 1.00 0.00 H new ATOM 0 HG21 ILE C 34 12.734 20.810 -10.194 1.00 0.00 H new ATOM 0 HG22 ILE C 34 14.232 20.879 -11.152 1.00 0.00 H new ATOM 0 HG23 ILE C 34 14.219 20.043 -9.581 1.00 0.00 H new ATOM 0 HD11 ILE C 34 13.899 21.130 -6.181 1.00 0.00 H new ATOM 0 HD12 ILE C 34 14.144 20.148 -7.645 1.00 0.00 H new ATOM 0 HD13 ILE C 34 15.383 21.324 -7.145 1.00 0.00 H new ATOM 434 N VAL C 35 16.538 21.108 -11.327 1.00 0.00 N ATOM 435 CA VAL C 35 17.100 21.018 -12.703 1.00 0.00 C ATOM 436 C VAL C 35 16.045 20.444 -13.649 1.00 0.00 C ATOM 437 O VAL C 35 15.762 21.000 -14.691 1.00 0.00 O ATOM 438 CB VAL C 35 18.328 20.105 -12.694 1.00 0.00 C ATOM 439 CG1 VAL C 35 18.763 19.824 -14.134 1.00 0.00 C ATOM 440 CG2 VAL C 35 19.468 20.790 -11.940 1.00 0.00 C ATOM 0 H VAL C 35 16.360 20.213 -10.871 1.00 0.00 H new ATOM 0 HA VAL C 35 17.389 22.013 -13.043 1.00 0.00 H new ATOM 0 HB VAL C 35 18.080 19.166 -12.199 1.00 0.00 H new ATOM 0 HG11 VAL C 35 19.638 19.174 -14.130 1.00 0.00 H new ATOM 0 HG12 VAL C 35 17.950 19.335 -14.671 1.00 0.00 H new ATOM 0 HG13 VAL C 35 19.011 20.763 -14.629 1.00 0.00 H new ATOM 0 HG21 VAL C 35 20.343 20.140 -11.934 1.00 0.00 H new ATOM 0 HG22 VAL C 35 19.718 21.729 -12.433 1.00 0.00 H new ATOM 0 HG23 VAL C 35 19.157 20.990 -10.915 1.00 0.00 H new ATOM 450 N ASN C 36 15.464 19.335 -13.291 1.00 0.00 N ATOM 451 CA ASN C 36 14.426 18.720 -14.163 1.00 0.00 C ATOM 452 C ASN C 36 13.381 18.016 -13.295 1.00 0.00 C ATOM 453 O ASN C 36 13.701 17.159 -12.495 1.00 0.00 O ATOM 454 CB ASN C 36 15.084 17.700 -15.097 1.00 0.00 C ATOM 455 CG ASN C 36 14.930 18.163 -16.547 1.00 0.00 C ATOM 456 OD1 ASN C 36 15.045 19.336 -16.839 1.00 0.00 O ATOM 457 ND2 ASN C 36 14.671 17.283 -17.476 1.00 0.00 N ATOM 0 H ASN C 36 15.663 18.826 -12.430 1.00 0.00 H new ATOM 0 HA ASN C 36 13.942 19.497 -14.755 1.00 0.00 H new ATOM 0 HB2 ASN C 36 16.140 17.592 -14.849 1.00 0.00 H new ATOM 0 HB3 ASN C 36 14.624 16.721 -14.966 1.00 0.00 H new ATOM 0 HD21 ASN C 36 14.566 17.581 -18.446 1.00 0.00 H new ATOM 0 HD22 ASN C 36 14.574 16.297 -17.232 1.00 0.00 H new ATOM 464 N ASN C 37 12.134 18.370 -13.446 1.00 0.00 N ATOM 465 CA ASN C 37 11.071 17.720 -12.629 1.00 0.00 C ATOM 466 C ASN C 37 10.198 16.847 -13.532 1.00 0.00 C ATOM 467 O ASN C 37 9.012 17.073 -13.671 1.00 0.00 O ATOM 468 CB ASN C 37 10.205 18.796 -11.969 1.00 0.00 C ATOM 469 CG ASN C 37 9.432 19.560 -13.046 1.00 0.00 C ATOM 470 OD1 ASN C 37 8.254 19.337 -13.238 1.00 0.00 O ATOM 471 ND2 ASN C 37 10.052 20.457 -13.763 1.00 0.00 N ATOM 0 H ASN C 37 11.806 19.081 -14.100 1.00 0.00 H new ATOM 0 HA ASN C 37 11.531 17.101 -11.859 1.00 0.00 H new ATOM 0 HB2 ASN C 37 9.511 18.338 -11.264 1.00 0.00 H new ATOM 0 HB3 ASN C 37 10.831 19.483 -11.399 1.00 0.00 H new ATOM 0 HD21 ASN C 37 9.547 20.971 -14.485 1.00 0.00 H new ATOM 0 HD22 ASN C 37 11.042 20.644 -13.601 1.00 0.00 H new ATOM 478 N THR C 38 10.773 15.850 -14.146 1.00 0.00 N ATOM 479 CA THR C 38 9.976 14.964 -15.039 1.00 0.00 C ATOM 480 C THR C 38 10.042 13.525 -14.521 1.00 0.00 C ATOM 481 O THR C 38 9.239 12.689 -14.882 1.00 0.00 O ATOM 482 CB THR C 38 10.545 15.023 -16.458 1.00 0.00 C ATOM 483 OG1 THR C 38 9.866 14.082 -17.278 1.00 0.00 O ATOM 484 CG2 THR C 38 12.037 14.689 -16.425 1.00 0.00 C ATOM 0 H THR C 38 11.761 15.611 -14.068 1.00 0.00 H new ATOM 0 HA THR C 38 8.939 15.299 -15.051 1.00 0.00 H new ATOM 0 HB THR C 38 10.408 16.025 -16.864 1.00 0.00 H new ATOM 0 HG1 THR C 38 10.228 14.120 -18.188 1.00 0.00 H new ATOM 0 HG21 THR C 38 12.442 14.731 -17.436 1.00 0.00 H new ATOM 0 HG22 THR C 38 12.558 15.411 -15.795 1.00 0.00 H new ATOM 0 HG23 THR C 38 12.177 13.687 -16.020 1.00 0.00 H new ATOM 492 N GLU C 39 10.994 13.231 -13.678 1.00 0.00 N ATOM 493 CA GLU C 39 11.108 11.846 -13.139 1.00 0.00 C ATOM 494 C GLU C 39 9.768 11.423 -12.538 1.00 0.00 C ATOM 495 O GLU C 39 9.284 10.334 -12.778 1.00 0.00 O ATOM 496 CB GLU C 39 12.192 11.805 -12.059 1.00 0.00 C ATOM 497 CG GLU C 39 13.487 11.252 -12.658 1.00 0.00 C ATOM 498 CD GLU C 39 13.711 9.824 -12.158 1.00 0.00 C ATOM 499 OE1 GLU C 39 13.104 8.921 -12.709 1.00 0.00 O ATOM 500 OE2 GLU C 39 14.486 9.658 -11.230 1.00 0.00 O ATOM 0 H GLU C 39 11.697 13.889 -13.340 1.00 0.00 H new ATOM 0 HA GLU C 39 11.376 11.162 -13.945 1.00 0.00 H new ATOM 0 HB2 GLU C 39 12.361 12.805 -11.660 1.00 0.00 H new ATOM 0 HB3 GLU C 39 11.868 11.180 -11.227 1.00 0.00 H new ATOM 0 HG2 GLU C 39 13.430 11.263 -13.746 1.00 0.00 H new ATOM 0 HG3 GLU C 39 14.329 11.884 -12.376 1.00 0.00 H new ATOM 507 N GLY C 40 9.166 12.276 -11.761 1.00 0.00 N ATOM 508 CA GLY C 40 7.856 11.926 -11.143 1.00 0.00 C ATOM 509 C GLY C 40 7.994 11.891 -9.618 1.00 0.00 C ATOM 510 O GLY C 40 7.052 11.592 -8.911 1.00 0.00 O ATOM 0 H GLY C 40 9.523 13.202 -11.526 1.00 0.00 H new ATOM 0 HA2 GLY C 40 7.100 12.657 -11.432 1.00 0.00 H new ATOM 0 HA3 GLY C 40 7.518 10.956 -11.509 1.00 0.00 H new ATOM 514 N ASP C 41 9.155 12.193 -9.104 1.00 0.00 N ATOM 515 CA ASP C 41 9.337 12.172 -7.624 1.00 0.00 C ATOM 516 C ASP C 41 10.696 12.775 -7.260 1.00 0.00 C ATOM 517 O ASP C 41 10.784 13.892 -6.793 1.00 0.00 O ATOM 518 CB ASP C 41 9.265 10.729 -7.118 1.00 0.00 C ATOM 519 CG ASP C 41 9.802 9.777 -8.190 1.00 0.00 C ATOM 520 OD1 ASP C 41 9.147 9.631 -9.208 1.00 0.00 O ATOM 521 OD2 ASP C 41 10.860 9.209 -7.974 1.00 0.00 O ATOM 0 H ASP C 41 9.982 12.452 -9.642 1.00 0.00 H new ATOM 0 HA ASP C 41 8.547 12.760 -7.158 1.00 0.00 H new ATOM 0 HB2 ASP C 41 9.847 10.626 -6.202 1.00 0.00 H new ATOM 0 HB3 ASP C 41 8.235 10.471 -6.872 1.00 0.00 H new ATOM 526 N TRP C 42 11.758 12.043 -7.468 1.00 0.00 N ATOM 527 CA TRP C 42 13.108 12.578 -7.131 1.00 0.00 C ATOM 528 C TRP C 42 13.587 13.505 -8.249 1.00 0.00 C ATOM 529 O TRP C 42 13.364 13.253 -9.416 1.00 0.00 O ATOM 530 CB TRP C 42 14.091 11.417 -6.977 1.00 0.00 C ATOM 531 CG TRP C 42 13.959 10.820 -5.576 1.00 0.00 C ATOM 532 CD1 TRP C 42 13.146 9.803 -5.245 1.00 0.00 C ATOM 533 CD2 TRP C 42 14.630 11.233 -4.504 1.00 0.00 C ATOM 534 NE1 TRP C 42 13.367 9.637 -3.939 1.00 0.00 N ATOM 535 CE2 TRP C 42 14.278 10.486 -3.398 1.00 0.00 C ATOM 536 CE3 TRP C 42 15.565 12.243 -4.386 1.00 0.00 C ATOM 537 CZ2 TRP C 42 14.859 10.749 -2.175 1.00 0.00 C ATOM 538 CZ3 TRP C 42 16.145 12.505 -3.163 1.00 0.00 C ATOM 539 CH2 TRP C 42 15.792 11.758 -2.057 1.00 0.00 C ATOM 0 H TRP C 42 11.749 11.100 -7.856 1.00 0.00 H new ATOM 0 HA TRP C 42 13.053 13.137 -6.197 1.00 0.00 H new ATOM 0 HB2 TRP C 42 13.890 10.654 -7.729 1.00 0.00 H new ATOM 0 HB3 TRP C 42 15.111 11.766 -7.141 1.00 0.00 H new ATOM 0 HD1 TRP C 42 12.473 9.251 -5.884 1.00 0.00 H new ATOM 0 HE1 TRP C 42 12.887 8.925 -3.388 1.00 0.00 H new ATOM 0 HE3 TRP C 42 15.842 12.827 -5.251 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 14.583 10.165 -1.310 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 16.876 13.295 -3.070 1.00 0.00 H new ATOM 0 HH2 TRP C 42 16.246 11.964 -1.099 1.00 0.00 H new ATOM 550 N TRP C 43 14.245 14.577 -7.901 1.00 0.00 N ATOM 551 CA TRP C 43 14.739 15.519 -8.944 1.00 0.00 C ATOM 552 C TRP C 43 16.185 15.911 -8.633 1.00 0.00 C ATOM 553 O TRP C 43 16.675 15.703 -7.541 1.00 0.00 O ATOM 554 CB TRP C 43 13.872 16.780 -8.954 1.00 0.00 C ATOM 555 CG TRP C 43 12.398 16.399 -9.096 1.00 0.00 C ATOM 556 CD1 TRP C 43 11.925 15.435 -9.904 1.00 0.00 C ATOM 557 CD2 TRP C 43 11.394 16.984 -8.448 1.00 0.00 C ATOM 558 NE1 TRP C 43 10.605 15.480 -9.705 1.00 0.00 N ATOM 559 CE2 TRP C 43 10.188 16.417 -8.813 1.00 0.00 C ATOM 560 CE3 TRP C 43 11.422 18.013 -7.529 1.00 0.00 C ATOM 561 CZ2 TRP C 43 9.013 16.880 -8.259 1.00 0.00 C ATOM 562 CZ3 TRP C 43 10.246 18.476 -6.974 1.00 0.00 C ATOM 563 CH2 TRP C 43 9.041 17.909 -7.339 1.00 0.00 C ATOM 0 H TRP C 43 14.462 14.841 -6.940 1.00 0.00 H new ATOM 0 HA TRP C 43 14.688 15.033 -9.918 1.00 0.00 H new ATOM 0 HB2 TRP C 43 14.024 17.343 -8.033 1.00 0.00 H new ATOM 0 HB3 TRP C 43 14.169 17.429 -9.777 1.00 0.00 H new ATOM 0 HD1 TRP C 43 12.480 14.780 -10.559 1.00 0.00 H new ATOM 0 HE1 TRP C 43 9.957 14.857 -10.187 1.00 0.00 H new ATOM 0 HE3 TRP C 43 12.365 18.456 -7.244 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 8.070 16.437 -8.545 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 10.268 19.281 -6.255 1.00 0.00 H new ATOM 0 HH2 TRP C 43 8.121 18.270 -6.905 1.00 0.00 H new ATOM 574 N LEU C 44 16.870 16.477 -9.587 1.00 0.00 N ATOM 575 CA LEU C 44 18.283 16.886 -9.353 1.00 0.00 C ATOM 576 C LEU C 44 18.338 18.408 -9.212 1.00 0.00 C ATOM 577 O LEU C 44 17.953 19.135 -10.105 1.00 0.00 O ATOM 578 CB LEU C 44 19.143 16.447 -10.539 1.00 0.00 C ATOM 579 CG LEU C 44 20.623 16.603 -10.183 1.00 0.00 C ATOM 580 CD1 LEU C 44 21.110 15.345 -9.462 1.00 0.00 C ATOM 581 CD2 LEU C 44 21.437 16.805 -11.462 1.00 0.00 C ATOM 0 H LEU C 44 16.511 16.674 -10.521 1.00 0.00 H new ATOM 0 HA LEU C 44 18.662 16.417 -8.445 1.00 0.00 H new ATOM 0 HB2 LEU C 44 18.927 15.409 -10.794 1.00 0.00 H new ATOM 0 HB3 LEU C 44 18.904 17.047 -11.417 1.00 0.00 H new ATOM 0 HG LEU C 44 20.750 17.467 -9.531 1.00 0.00 H new ATOM 0 HD11 LEU C 44 22.164 15.456 -9.208 1.00 0.00 H new ATOM 0 HD12 LEU C 44 20.531 15.201 -8.550 1.00 0.00 H new ATOM 0 HD13 LEU C 44 20.983 14.480 -10.113 1.00 0.00 H new ATOM 0 HD21 LEU C 44 22.491 16.916 -11.209 1.00 0.00 H new ATOM 0 HD22 LEU C 44 21.310 15.941 -12.114 1.00 0.00 H new ATOM 0 HD23 LEU C 44 21.091 17.702 -11.976 1.00 0.00 H new ATOM 593 N ALA C 45 18.812 18.899 -8.100 1.00 0.00 N ATOM 594 CA ALA C 45 18.883 20.376 -7.918 1.00 0.00 C ATOM 595 C ALA C 45 20.329 20.804 -7.664 1.00 0.00 C ATOM 596 O ALA C 45 21.125 20.061 -7.125 1.00 0.00 O ATOM 597 CB ALA C 45 18.015 20.783 -6.726 1.00 0.00 C ATOM 0 H ALA C 45 19.151 18.345 -7.314 1.00 0.00 H new ATOM 0 HA ALA C 45 18.520 20.865 -8.822 1.00 0.00 H new ATOM 0 HB1 ALA C 45 18.066 21.863 -6.591 1.00 0.00 H new ATOM 0 HB2 ALA C 45 16.982 20.488 -6.911 1.00 0.00 H new ATOM 0 HB3 ALA C 45 18.378 20.288 -5.826 1.00 0.00 H new ATOM 603 N HIS C 46 20.671 22.002 -8.051 1.00 0.00 N ATOM 604 CA HIS C 46 22.060 22.493 -7.838 1.00 0.00 C ATOM 605 C HIS C 46 22.040 23.611 -6.793 1.00 0.00 C ATOM 606 O HIS C 46 21.147 24.435 -6.770 1.00 0.00 O ATOM 607 CB HIS C 46 22.616 23.034 -9.158 1.00 0.00 C ATOM 608 CG HIS C 46 23.895 23.830 -8.890 1.00 0.00 C ATOM 609 ND1 HIS C 46 25.009 23.329 -8.555 1.00 0.00 N ATOM 610 CD2 HIS C 46 24.119 25.194 -8.946 1.00 0.00 C ATOM 611 CE1 HIS C 46 25.889 24.246 -8.403 1.00 0.00 C ATOM 612 NE2 HIS C 46 25.399 25.453 -8.633 1.00 0.00 N ATOM 0 H HIS C 46 20.044 22.665 -8.508 1.00 0.00 H new ATOM 0 HA HIS C 46 22.692 21.676 -7.489 1.00 0.00 H new ATOM 0 HB2 HIS C 46 22.825 22.210 -9.841 1.00 0.00 H new ATOM 0 HB3 HIS C 46 21.875 23.670 -9.643 1.00 0.00 H new ATOM 0 HD2 HIS C 46 23.378 25.937 -9.202 1.00 0.00 H new ATOM 0 HE1 HIS C 46 26.914 24.056 -8.120 1.00 0.00 H new ATOM 0 HE2 HIS C 46 25.874 26.354 -8.585 1.00 0.00 H new ATOM 620 N SER C 47 23.016 23.648 -5.927 1.00 0.00 N ATOM 621 CA SER C 47 23.046 24.715 -4.887 1.00 0.00 C ATOM 622 C SER C 47 24.072 25.781 -5.275 1.00 0.00 C ATOM 623 O SER C 47 25.038 25.508 -5.960 1.00 0.00 O ATOM 624 CB SER C 47 23.431 24.102 -3.539 1.00 0.00 C ATOM 625 OG SER C 47 22.282 24.028 -2.708 1.00 0.00 O ATOM 0 H SER C 47 23.792 22.987 -5.895 1.00 0.00 H new ATOM 0 HA SER C 47 22.060 25.174 -4.810 1.00 0.00 H new ATOM 0 HB2 SER C 47 23.851 23.107 -3.686 1.00 0.00 H new ATOM 0 HB3 SER C 47 24.202 24.706 -3.060 1.00 0.00 H new ATOM 0 HG SER C 47 22.527 23.634 -1.845 1.00 0.00 H new ATOM 631 N LEU C 48 23.871 26.995 -4.840 1.00 0.00 N ATOM 632 CA LEU C 48 24.834 28.079 -5.183 1.00 0.00 C ATOM 633 C LEU C 48 25.795 28.296 -4.013 1.00 0.00 C ATOM 634 O LEU C 48 26.938 28.666 -4.196 1.00 0.00 O ATOM 635 CB LEU C 48 24.067 29.374 -5.458 1.00 0.00 C ATOM 636 CG LEU C 48 22.848 29.072 -6.332 1.00 0.00 C ATOM 637 CD1 LEU C 48 22.005 30.339 -6.484 1.00 0.00 C ATOM 638 CD2 LEU C 48 23.313 28.600 -7.710 1.00 0.00 C ATOM 0 H LEU C 48 23.081 27.283 -4.262 1.00 0.00 H new ATOM 0 HA LEU C 48 25.399 27.795 -6.071 1.00 0.00 H new ATOM 0 HB2 LEU C 48 23.750 29.828 -4.519 1.00 0.00 H new ATOM 0 HB3 LEU C 48 24.716 30.094 -5.957 1.00 0.00 H new ATOM 0 HG LEU C 48 22.249 28.291 -5.864 1.00 0.00 H new ATOM 0 HD11 LEU C 48 21.136 30.125 -7.107 1.00 0.00 H new ATOM 0 HD12 LEU C 48 21.674 30.676 -5.502 1.00 0.00 H new ATOM 0 HD13 LEU C 48 22.604 31.120 -6.952 1.00 0.00 H new ATOM 0 HD21 LEU C 48 22.445 28.385 -8.333 1.00 0.00 H new ATOM 0 HD22 LEU C 48 23.912 29.381 -8.179 1.00 0.00 H new ATOM 0 HD23 LEU C 48 23.915 27.697 -7.602 1.00 0.00 H new ATOM 650 N THR C 49 25.341 28.070 -2.810 1.00 0.00 N ATOM 651 CA THR C 49 26.230 28.265 -1.631 1.00 0.00 C ATOM 652 C THR C 49 27.542 27.508 -1.848 1.00 0.00 C ATOM 653 O THR C 49 28.574 28.097 -2.105 1.00 0.00 O ATOM 654 CB THR C 49 25.537 27.733 -0.373 1.00 0.00 C ATOM 655 OG1 THR C 49 24.467 28.601 -0.023 1.00 0.00 O ATOM 656 CG2 THR C 49 26.541 27.668 0.778 1.00 0.00 C ATOM 0 H THR C 49 24.394 27.759 -2.594 1.00 0.00 H new ATOM 0 HA THR C 49 26.440 29.328 -1.509 1.00 0.00 H new ATOM 0 HB THR C 49 25.148 26.734 -0.567 1.00 0.00 H new ATOM 0 HG1 THR C 49 24.020 28.262 0.781 1.00 0.00 H new ATOM 0 HG21 THR C 49 26.046 27.289 1.672 1.00 0.00 H new ATOM 0 HG22 THR C 49 27.361 27.003 0.508 1.00 0.00 H new ATOM 0 HG23 THR C 49 26.933 28.666 0.976 1.00 0.00 H new ATOM 664 N THR C 50 27.515 26.207 -1.750 1.00 0.00 N ATOM 665 CA THR C 50 28.763 25.418 -1.954 1.00 0.00 C ATOM 666 C THR C 50 28.897 25.043 -3.431 1.00 0.00 C ATOM 667 O THR C 50 29.987 24.893 -3.947 1.00 0.00 O ATOM 668 CB THR C 50 28.709 24.145 -1.104 1.00 0.00 C ATOM 669 OG1 THR C 50 29.705 23.237 -1.550 1.00 0.00 O ATOM 670 CG2 THR C 50 27.328 23.498 -1.235 1.00 0.00 C ATOM 0 H THR C 50 26.683 25.656 -1.538 1.00 0.00 H new ATOM 0 HA THR C 50 29.623 26.017 -1.654 1.00 0.00 H new ATOM 0 HB THR C 50 28.890 24.398 -0.059 1.00 0.00 H new ATOM 0 HG1 THR C 50 29.672 22.423 -1.006 1.00 0.00 H new ATOM 0 HG21 THR C 50 27.292 22.592 -0.630 1.00 0.00 H new ATOM 0 HG22 THR C 50 26.565 24.196 -0.890 1.00 0.00 H new ATOM 0 HG23 THR C 50 27.143 23.244 -2.279 1.00 0.00 H new ATOM 678 N GLY C 51 27.797 24.890 -4.118 1.00 0.00 N ATOM 679 CA GLY C 51 27.866 24.525 -5.563 1.00 0.00 C ATOM 680 C GLY C 51 27.642 23.021 -5.727 1.00 0.00 C ATOM 681 O GLY C 51 27.096 22.365 -4.861 1.00 0.00 O ATOM 0 H GLY C 51 26.855 25.002 -3.742 1.00 0.00 H new ATOM 0 HA2 GLY C 51 27.112 25.078 -6.124 1.00 0.00 H new ATOM 0 HA3 GLY C 51 28.837 24.804 -5.972 1.00 0.00 H new ATOM 685 N GLN C 52 28.057 22.470 -6.836 1.00 0.00 N ATOM 686 CA GLN C 52 27.872 21.008 -7.065 1.00 0.00 C ATOM 687 C GLN C 52 26.378 20.679 -7.079 1.00 0.00 C ATOM 688 O GLN C 52 25.571 21.385 -6.509 1.00 0.00 O ATOM 689 CB GLN C 52 28.557 20.225 -5.944 1.00 0.00 C ATOM 690 CG GLN C 52 30.073 20.401 -6.052 1.00 0.00 C ATOM 691 CD GLN C 52 30.687 19.150 -6.684 1.00 0.00 C ATOM 692 OE1 GLN C 52 30.018 18.417 -7.385 1.00 0.00 O ATOM 693 NE2 GLN C 52 31.943 18.873 -6.464 1.00 0.00 N ATOM 0 H GLN C 52 28.518 22.971 -7.596 1.00 0.00 H new ATOM 0 HA GLN C 52 28.314 20.732 -8.022 1.00 0.00 H new ATOM 0 HB2 GLN C 52 28.207 20.577 -4.974 1.00 0.00 H new ATOM 0 HB3 GLN C 52 28.297 19.169 -6.012 1.00 0.00 H new ATOM 0 HG2 GLN C 52 30.306 21.278 -6.655 1.00 0.00 H new ATOM 0 HG3 GLN C 52 30.502 20.570 -5.064 1.00 0.00 H new ATOM 0 HE21 GLN C 52 32.505 19.488 -5.876 1.00 0.00 H new ATOM 0 HE22 GLN C 52 32.362 18.042 -6.880 1.00 0.00 H new ATOM 702 N THR C 53 26.002 19.612 -7.731 1.00 0.00 N ATOM 703 CA THR C 53 24.561 19.240 -7.780 1.00 0.00 C ATOM 704 C THR C 53 24.274 18.184 -6.708 1.00 0.00 C ATOM 705 O THR C 53 25.164 17.714 -6.029 1.00 0.00 O ATOM 706 CB THR C 53 24.220 18.715 -9.194 1.00 0.00 C ATOM 707 OG1 THR C 53 23.228 19.554 -9.771 1.00 0.00 O ATOM 708 CG2 THR C 53 23.691 17.273 -9.150 1.00 0.00 C ATOM 0 H THR C 53 26.630 18.983 -8.231 1.00 0.00 H new ATOM 0 HA THR C 53 23.936 20.110 -7.577 1.00 0.00 H new ATOM 0 HB THR C 53 25.132 18.725 -9.790 1.00 0.00 H new ATOM 0 HG1 THR C 53 23.007 19.229 -10.669 1.00 0.00 H new ATOM 0 HG21 THR C 53 23.462 16.938 -10.162 1.00 0.00 H new ATOM 0 HG22 THR C 53 24.448 16.621 -8.715 1.00 0.00 H new ATOM 0 HG23 THR C 53 22.787 17.235 -8.542 1.00 0.00 H new ATOM 716 N GLY C 54 23.035 17.809 -6.558 1.00 0.00 N ATOM 717 CA GLY C 54 22.685 16.788 -5.536 1.00 0.00 C ATOM 718 C GLY C 54 21.200 16.440 -5.653 1.00 0.00 C ATOM 719 O GLY C 54 20.347 17.307 -5.672 1.00 0.00 O ATOM 0 H GLY C 54 22.249 18.167 -7.101 1.00 0.00 H new ATOM 0 HA2 GLY C 54 23.292 15.893 -5.677 1.00 0.00 H new ATOM 0 HA3 GLY C 54 22.903 17.167 -4.538 1.00 0.00 H new ATOM 723 N TYR C 55 20.885 15.178 -5.739 1.00 0.00 N ATOM 724 CA TYR C 55 19.459 14.774 -5.855 1.00 0.00 C ATOM 725 C TYR C 55 18.680 15.344 -4.669 1.00 0.00 C ATOM 726 O TYR C 55 19.253 15.769 -3.686 1.00 0.00 O ATOM 727 CB TYR C 55 19.358 13.247 -5.846 1.00 0.00 C ATOM 728 CG TYR C 55 20.524 12.647 -6.634 1.00 0.00 C ATOM 729 CD1 TYR C 55 20.680 12.928 -7.976 1.00 0.00 C ATOM 730 CD2 TYR C 55 21.444 11.826 -6.013 1.00 0.00 C ATOM 731 CE1 TYR C 55 21.738 12.398 -8.685 1.00 0.00 C ATOM 732 CE2 TYR C 55 22.503 11.297 -6.720 1.00 0.00 C ATOM 733 CZ TYR C 55 22.658 11.578 -8.063 1.00 0.00 C ATOM 734 OH TYR C 55 23.718 11.051 -8.771 1.00 0.00 O ATOM 0 H TYR C 55 21.555 14.409 -5.734 1.00 0.00 H new ATOM 0 HA TYR C 55 19.043 15.157 -6.787 1.00 0.00 H new ATOM 0 HB2 TYR C 55 19.372 12.878 -4.820 1.00 0.00 H new ATOM 0 HB3 TYR C 55 18.411 12.933 -6.285 1.00 0.00 H new ATOM 0 HD1 TYR C 55 19.968 13.568 -8.475 1.00 0.00 H new ATOM 0 HD2 TYR C 55 21.333 11.596 -4.964 1.00 0.00 H new ATOM 0 HE1 TYR C 55 21.847 12.626 -9.735 1.00 0.00 H new ATOM 0 HE2 TYR C 55 23.216 10.658 -6.220 1.00 0.00 H new ATOM 0 HH TYR C 55 24.266 10.498 -8.176 1.00 0.00 H new ATOM 744 N ILE C 56 17.380 15.366 -4.753 1.00 0.00 N ATOM 745 CA ILE C 56 16.573 15.909 -3.627 1.00 0.00 C ATOM 746 C ILE C 56 15.190 15.245 -3.629 1.00 0.00 C ATOM 747 O ILE C 56 14.607 15.044 -4.676 1.00 0.00 O ATOM 748 CB ILE C 56 16.416 17.421 -3.793 1.00 0.00 C ATOM 749 CG1 ILE C 56 15.767 17.725 -5.145 1.00 0.00 C ATOM 750 CG2 ILE C 56 17.795 18.083 -3.732 1.00 0.00 C ATOM 751 CD1 ILE C 56 14.405 18.385 -4.917 1.00 0.00 C ATOM 0 H ILE C 56 16.842 15.032 -5.552 1.00 0.00 H new ATOM 0 HA ILE C 56 17.076 15.701 -2.683 1.00 0.00 H new ATOM 0 HB ILE C 56 15.786 17.810 -2.993 1.00 0.00 H new ATOM 0 HG12 ILE C 56 16.409 18.384 -5.730 1.00 0.00 H new ATOM 0 HG13 ILE C 56 15.647 16.806 -5.718 1.00 0.00 H new ATOM 0 HG21 ILE C 56 17.687 19.161 -3.850 1.00 0.00 H new ATOM 0 HG22 ILE C 56 18.259 17.868 -2.770 1.00 0.00 H new ATOM 0 HG23 ILE C 56 18.422 17.692 -4.533 1.00 0.00 H new ATOM 0 HD11 ILE C 56 13.941 18.603 -5.879 1.00 0.00 H new ATOM 0 HD12 ILE C 56 13.764 17.710 -4.349 1.00 0.00 H new ATOM 0 HD13 ILE C 56 14.539 19.313 -4.361 1.00 0.00 H new ATOM 763 N PRO C 57 14.705 14.923 -2.455 1.00 0.00 N ATOM 764 CA PRO C 57 13.389 14.277 -2.302 1.00 0.00 C ATOM 765 C PRO C 57 12.282 15.192 -2.835 1.00 0.00 C ATOM 766 O PRO C 57 12.427 16.397 -2.877 1.00 0.00 O ATOM 767 CB PRO C 57 13.228 14.059 -0.792 1.00 0.00 C ATOM 768 CG PRO C 57 14.486 14.641 -0.096 1.00 0.00 C ATOM 769 CD PRO C 57 15.422 15.176 -1.190 1.00 0.00 C ATOM 0 HA PRO C 57 13.321 13.343 -2.859 1.00 0.00 H new ATOM 0 HB2 PRO C 57 12.327 14.552 -0.428 1.00 0.00 H new ATOM 0 HB3 PRO C 57 13.123 12.998 -0.568 1.00 0.00 H new ATOM 0 HG2 PRO C 57 14.207 15.439 0.592 1.00 0.00 H new ATOM 0 HG3 PRO C 57 14.987 13.873 0.493 1.00 0.00 H new ATOM 0 HD2 PRO C 57 15.622 16.239 -1.054 1.00 0.00 H new ATOM 0 HD3 PRO C 57 16.385 14.665 -1.172 1.00 0.00 H new ATOM 777 N SER C 58 11.178 14.627 -3.242 1.00 0.00 N ATOM 778 CA SER C 58 10.063 15.461 -3.770 1.00 0.00 C ATOM 779 C SER C 58 9.183 15.926 -2.608 1.00 0.00 C ATOM 780 O SER C 58 8.341 16.788 -2.760 1.00 0.00 O ATOM 781 CB SER C 58 9.231 14.630 -4.752 1.00 0.00 C ATOM 782 OG SER C 58 7.956 14.351 -4.189 1.00 0.00 O ATOM 0 H SER C 58 11.001 13.623 -3.231 1.00 0.00 H new ATOM 0 HA SER C 58 10.466 16.332 -4.286 1.00 0.00 H new ATOM 0 HB2 SER C 58 9.113 15.171 -5.691 1.00 0.00 H new ATOM 0 HB3 SER C 58 9.748 13.699 -4.983 1.00 0.00 H new ATOM 0 HG SER C 58 7.428 13.821 -4.822 1.00 0.00 H new ATOM 788 N ASN C 59 9.373 15.362 -1.447 1.00 0.00 N ATOM 789 CA ASN C 59 8.550 15.768 -0.274 1.00 0.00 C ATOM 790 C ASN C 59 9.415 16.571 0.700 1.00 0.00 C ATOM 791 O ASN C 59 9.346 16.391 1.899 1.00 0.00 O ATOM 792 CB ASN C 59 8.010 14.520 0.433 1.00 0.00 C ATOM 793 CG ASN C 59 8.973 13.347 0.228 1.00 0.00 C ATOM 794 OD1 ASN C 59 9.738 13.013 1.111 1.00 0.00 O ATOM 795 ND2 ASN C 59 8.967 12.703 -0.908 1.00 0.00 N ATOM 0 H ASN C 59 10.064 14.636 -1.260 1.00 0.00 H new ATOM 0 HA ASN C 59 7.715 16.381 -0.612 1.00 0.00 H new ATOM 0 HB2 ASN C 59 7.887 14.719 1.498 1.00 0.00 H new ATOM 0 HB3 ASN C 59 7.025 14.266 0.040 1.00 0.00 H new ATOM 0 HD21 ASN C 59 9.604 11.920 -1.054 1.00 0.00 H new ATOM 0 HD22 ASN C 59 8.325 12.983 -1.650 1.00 0.00 H new ATOM 802 N TYR C 60 10.230 17.455 0.193 1.00 0.00 N ATOM 803 CA TYR C 60 11.099 18.269 1.091 1.00 0.00 C ATOM 804 C TYR C 60 11.190 19.702 0.559 1.00 0.00 C ATOM 805 O TYR C 60 11.202 20.654 1.315 1.00 0.00 O ATOM 806 CB TYR C 60 12.499 17.656 1.135 1.00 0.00 C ATOM 807 CG TYR C 60 12.533 16.530 2.170 1.00 0.00 C ATOM 808 CD1 TYR C 60 11.857 15.349 1.942 1.00 0.00 C ATOM 809 CD2 TYR C 60 13.242 16.680 3.344 1.00 0.00 C ATOM 810 CE1 TYR C 60 11.891 14.332 2.873 1.00 0.00 C ATOM 811 CE2 TYR C 60 13.277 15.663 4.276 1.00 0.00 C ATOM 812 CZ TYR C 60 12.602 14.481 4.047 1.00 0.00 C ATOM 813 OH TYR C 60 12.637 13.462 4.978 1.00 0.00 O ATOM 0 H TYR C 60 10.332 17.649 -0.803 1.00 0.00 H new ATOM 0 HA TYR C 60 10.672 18.281 2.094 1.00 0.00 H new ATOM 0 HB2 TYR C 60 12.769 17.269 0.152 1.00 0.00 H new ATOM 0 HB3 TYR C 60 13.234 18.420 1.389 1.00 0.00 H new ATOM 0 HD1 TYR C 60 11.297 15.220 1.028 1.00 0.00 H new ATOM 0 HD2 TYR C 60 13.774 17.600 3.535 1.00 0.00 H new ATOM 0 HE1 TYR C 60 11.358 13.412 2.682 1.00 0.00 H new ATOM 0 HE2 TYR C 60 13.836 15.793 5.191 1.00 0.00 H new ATOM 0 HH TYR C 60 12.125 12.696 4.644 1.00 0.00 H new ATOM 823 N VAL C 61 11.257 19.863 -0.735 1.00 0.00 N ATOM 824 CA VAL C 61 11.349 21.233 -1.315 1.00 0.00 C ATOM 825 C VAL C 61 9.972 21.674 -1.810 1.00 0.00 C ATOM 826 O VAL C 61 9.053 20.886 -1.917 1.00 0.00 O ATOM 827 CB VAL C 61 12.344 21.224 -2.482 1.00 0.00 C ATOM 828 CG1 VAL C 61 12.127 19.965 -3.326 1.00 0.00 C ATOM 829 CG2 VAL C 61 12.148 22.464 -3.358 1.00 0.00 C ATOM 0 H VAL C 61 11.252 19.104 -1.416 1.00 0.00 H new ATOM 0 HA VAL C 61 11.693 21.931 -0.552 1.00 0.00 H new ATOM 0 HB VAL C 61 13.358 21.231 -2.082 1.00 0.00 H new ATOM 0 HG11 VAL C 61 12.834 19.957 -4.156 1.00 0.00 H new ATOM 0 HG12 VAL C 61 12.284 19.081 -2.708 1.00 0.00 H new ATOM 0 HG13 VAL C 61 11.109 19.959 -3.716 1.00 0.00 H new ATOM 0 HG21 VAL C 61 12.861 22.444 -4.182 1.00 0.00 H new ATOM 0 HG22 VAL C 61 11.133 22.471 -3.756 1.00 0.00 H new ATOM 0 HG23 VAL C 61 12.310 23.361 -2.760 1.00 0.00 H new ATOM 839 N ALA C 62 9.826 22.933 -2.113 1.00 0.00 N ATOM 840 CA ALA C 62 8.513 23.438 -2.603 1.00 0.00 C ATOM 841 C ALA C 62 8.715 24.796 -3.292 1.00 0.00 C ATOM 842 O ALA C 62 9.345 25.675 -2.738 1.00 0.00 O ATOM 843 CB ALA C 62 7.558 23.606 -1.419 1.00 0.00 C ATOM 0 H ALA C 62 10.561 23.636 -2.042 1.00 0.00 H new ATOM 0 HA ALA C 62 8.091 22.727 -3.313 1.00 0.00 H new ATOM 0 HB1 ALA C 62 6.597 23.976 -1.776 1.00 0.00 H new ATOM 0 HB2 ALA C 62 7.416 22.644 -0.926 1.00 0.00 H new ATOM 0 HB3 ALA C 62 7.980 24.318 -0.710 1.00 0.00 H new ATOM 849 N PRO C 63 8.175 24.932 -4.480 1.00 0.00 N ATOM 850 CA PRO C 63 8.292 26.182 -5.252 1.00 0.00 C ATOM 851 C PRO C 63 7.623 27.336 -4.499 1.00 0.00 C ATOM 852 O PRO C 63 6.438 27.567 -4.625 1.00 0.00 O ATOM 853 CB PRO C 63 7.557 25.902 -6.569 1.00 0.00 C ATOM 854 CG PRO C 63 7.013 24.451 -6.507 1.00 0.00 C ATOM 855 CD PRO C 63 7.416 23.858 -5.147 1.00 0.00 C ATOM 0 HA PRO C 63 9.330 26.471 -5.416 1.00 0.00 H new ATOM 0 HB2 PRO C 63 6.741 26.611 -6.709 1.00 0.00 H new ATOM 0 HB3 PRO C 63 8.232 26.021 -7.416 1.00 0.00 H new ATOM 0 HG2 PRO C 63 5.929 24.444 -6.621 1.00 0.00 H new ATOM 0 HG3 PRO C 63 7.423 23.854 -7.321 1.00 0.00 H new ATOM 0 HD2 PRO C 63 6.540 23.572 -4.565 1.00 0.00 H new ATOM 0 HD3 PRO C 63 8.024 22.962 -5.270 1.00 0.00 H new ATOM 863 N SER C 64 8.376 28.062 -3.718 1.00 0.00 N ATOM 864 CA SER C 64 7.784 29.199 -2.957 1.00 0.00 C ATOM 865 C SER C 64 8.850 29.817 -2.052 1.00 0.00 C ATOM 866 O SER C 64 9.691 29.078 -1.569 1.00 0.00 O ATOM 867 CB SER C 64 6.620 28.691 -2.102 1.00 0.00 C ATOM 868 OG SER C 64 5.618 29.694 -2.025 1.00 0.00 O ATOM 869 OXT SER C 64 8.808 31.022 -1.857 1.00 0.00 O ATOM 0 H SER C 64 9.375 27.917 -3.574 1.00 0.00 H new ATOM 0 HA SER C 64 7.419 29.952 -3.655 1.00 0.00 H new ATOM 0 HB2 SER C 64 6.206 27.781 -2.536 1.00 0.00 H new ATOM 0 HB3 SER C 64 6.973 28.436 -1.103 1.00 0.00 H new ATOM 0 HG SER C 64 4.871 29.369 -1.479 1.00 0.00 H new TER 875 SER C 64 ATOM 876 N ALA A 71 6.192 19.062 9.876 1.00 0.00 N ATOM 877 CA ALA A 71 6.778 18.555 11.150 1.00 0.00 C ATOM 878 C ALA A 71 6.845 17.027 11.106 1.00 0.00 C ATOM 879 O ALA A 71 6.763 16.363 12.122 1.00 0.00 O ATOM 880 CB ALA A 71 5.901 18.993 12.325 1.00 0.00 C ATOM 0 HA ALA A 71 7.782 18.960 11.275 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.329 18.623 13.256 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.851 20.081 12.356 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.897 18.587 12.201 1.00 0.00 H new ATOM 888 N PHE A 72 6.995 16.463 9.939 1.00 0.00 N ATOM 889 CA PHE A 72 7.068 14.977 9.833 1.00 0.00 C ATOM 890 C PHE A 72 7.824 14.599 8.558 1.00 0.00 C ATOM 891 O PHE A 72 7.315 13.893 7.710 1.00 0.00 O ATOM 892 CB PHE A 72 5.655 14.373 9.782 1.00 0.00 C ATOM 893 CG PHE A 72 4.602 15.450 10.059 1.00 0.00 C ATOM 894 CD1 PHE A 72 4.282 15.801 11.358 1.00 0.00 C ATOM 895 CD2 PHE A 72 3.959 16.086 9.014 1.00 0.00 C ATOM 896 CE1 PHE A 72 3.334 16.773 11.606 1.00 0.00 C ATOM 897 CE2 PHE A 72 3.011 17.059 9.262 1.00 0.00 C ATOM 898 CZ PHE A 72 2.699 17.402 10.558 1.00 0.00 C ATOM 0 H PHE A 72 7.070 16.966 9.055 1.00 0.00 H new ATOM 0 HA PHE A 72 7.588 14.586 10.707 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.479 13.927 8.803 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.568 13.573 10.517 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.777 15.311 12.184 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.200 15.820 7.995 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.090 17.041 12.623 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.514 17.551 8.439 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.958 18.163 10.753 1.00 0.00 H new ATOM 908 N ALA A 73 9.035 15.064 8.417 1.00 0.00 N ATOM 909 CA ALA A 73 9.828 14.733 7.198 1.00 0.00 C ATOM 910 C ALA A 73 9.646 13.248 6.857 1.00 0.00 C ATOM 911 O ALA A 73 10.232 12.396 7.496 1.00 0.00 O ATOM 912 CB ALA A 73 11.307 15.014 7.465 1.00 0.00 C ATOM 0 H ALA A 73 9.511 15.660 9.094 1.00 0.00 H new ATOM 0 HA ALA A 73 9.484 15.343 6.363 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.889 14.773 6.576 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.439 16.068 7.710 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.649 14.402 8.300 1.00 0.00 H new ATOM 918 N PRO A 74 8.839 12.978 5.860 1.00 0.00 N ATOM 919 CA PRO A 74 8.570 11.596 5.423 1.00 0.00 C ATOM 920 C PRO A 74 9.874 10.911 4.996 1.00 0.00 C ATOM 921 O PRO A 74 10.785 11.560 4.521 1.00 0.00 O ATOM 922 CB PRO A 74 7.618 11.738 4.229 1.00 0.00 C ATOM 923 CG PRO A 74 7.351 13.250 4.015 1.00 0.00 C ATOM 924 CD PRO A 74 8.136 14.020 5.088 1.00 0.00 C ATOM 0 HA PRO A 74 8.140 10.987 6.218 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.058 11.297 3.335 1.00 0.00 H new ATOM 0 HB3 PRO A 74 6.685 11.208 4.419 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.666 13.556 3.017 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.285 13.465 4.093 1.00 0.00 H new ATOM 0 HD2 PRO A 74 8.839 14.721 4.637 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.470 14.602 5.724 1.00 0.00 H new ATOM 932 N PRO A 75 9.921 9.615 5.180 1.00 0.00 N ATOM 933 CA PRO A 75 11.103 8.814 4.821 1.00 0.00 C ATOM 934 C PRO A 75 11.377 8.923 3.319 1.00 0.00 C ATOM 935 O PRO A 75 10.540 9.362 2.555 1.00 0.00 O ATOM 936 CB PRO A 75 10.734 7.373 5.200 1.00 0.00 C ATOM 937 CG PRO A 75 9.298 7.395 5.788 1.00 0.00 C ATOM 938 CD PRO A 75 8.802 8.849 5.759 1.00 0.00 C ATOM 0 HA PRO A 75 12.004 9.151 5.333 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.780 6.724 4.326 1.00 0.00 H new ATOM 0 HB3 PRO A 75 11.440 6.976 5.929 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.637 6.754 5.205 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.297 7.011 6.808 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.900 8.948 5.155 1.00 0.00 H new ATOM 0 HD3 PRO A 75 8.556 9.203 6.760 1.00 0.00 H new ATOM 946 N LEU A 76 12.543 8.525 2.891 1.00 0.00 N ATOM 947 CA LEU A 76 12.872 8.606 1.440 1.00 0.00 C ATOM 948 C LEU A 76 12.464 7.297 0.749 1.00 0.00 C ATOM 949 O LEU A 76 12.976 6.246 1.079 1.00 0.00 O ATOM 950 CB LEU A 76 14.379 8.813 1.277 1.00 0.00 C ATOM 951 CG LEU A 76 14.882 9.766 2.363 1.00 0.00 C ATOM 952 CD1 LEU A 76 16.398 9.921 2.243 1.00 0.00 C ATOM 953 CD2 LEU A 76 14.214 11.132 2.192 1.00 0.00 C ATOM 0 H LEU A 76 13.282 8.147 3.483 1.00 0.00 H new ATOM 0 HA LEU A 76 12.333 9.440 0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 76 14.898 7.857 1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 76 14.596 9.222 0.290 1.00 0.00 H new ATOM 0 HG LEU A 76 14.635 9.361 3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 76 16.757 10.600 3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 76 16.874 8.948 2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 76 16.646 10.326 1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 76 14.572 11.811 2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.460 11.537 1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.133 11.022 2.278 1.00 0.00 H new ATOM 965 N PRO A 77 11.554 7.393 -0.192 1.00 0.00 N ATOM 966 CA PRO A 77 11.074 6.214 -0.934 1.00 0.00 C ATOM 967 C PRO A 77 12.235 5.556 -1.685 1.00 0.00 C ATOM 968 O PRO A 77 13.376 5.950 -1.551 1.00 0.00 O ATOM 969 CB PRO A 77 10.035 6.763 -1.921 1.00 0.00 C ATOM 970 CG PRO A 77 9.950 8.297 -1.709 1.00 0.00 C ATOM 971 CD PRO A 77 10.933 8.670 -0.588 1.00 0.00 C ATOM 0 HA PRO A 77 10.650 5.455 -0.277 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.323 6.534 -2.947 1.00 0.00 H new ATOM 0 HB3 PRO A 77 9.063 6.299 -1.752 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.201 8.825 -2.629 1.00 0.00 H new ATOM 0 HG3 PRO A 77 8.935 8.590 -1.441 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.681 9.382 -0.938 1.00 0.00 H new ATOM 0 HD3 PRO A 77 10.417 9.136 0.251 1.00 0.00 H new ATOM 979 N ARG A 78 11.951 4.555 -2.471 1.00 0.00 N ATOM 980 CA ARG A 78 13.037 3.872 -3.229 1.00 0.00 C ATOM 981 C ARG A 78 13.140 4.484 -4.630 1.00 0.00 C ATOM 982 O ARG A 78 13.067 3.793 -5.626 1.00 0.00 O ATOM 983 CB ARG A 78 12.714 2.381 -3.342 1.00 0.00 C ATOM 984 CG ARG A 78 13.852 1.658 -4.066 1.00 0.00 C ATOM 985 CD ARG A 78 15.195 2.087 -3.472 1.00 0.00 C ATOM 986 NE ARG A 78 16.292 1.309 -4.117 1.00 0.00 N ATOM 987 CZ ARG A 78 17.530 1.715 -4.020 1.00 0.00 C ATOM 988 NH1 ARG A 78 17.815 2.799 -3.351 1.00 0.00 N ATOM 989 NH2 ARG A 78 18.485 1.033 -4.593 1.00 0.00 N ATOM 0 H ARG A 78 11.014 4.180 -2.621 1.00 0.00 H new ATOM 0 HA ARG A 78 13.986 3.999 -2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.573 1.954 -2.349 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.779 2.242 -3.885 1.00 0.00 H new ATOM 0 HG2 ARG A 78 13.729 0.579 -3.971 1.00 0.00 H new ATOM 0 HG3 ARG A 78 13.824 1.889 -5.131 1.00 0.00 H new ATOM 0 HD2 ARG A 78 15.350 3.154 -3.629 1.00 0.00 H new ATOM 0 HD3 ARG A 78 15.199 1.919 -2.395 1.00 0.00 H new ATOM 0 HE ARG A 78 16.075 0.458 -4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 78 17.070 3.332 -2.902 1.00 0.00 H new ATOM 0 HH12 ARG A 78 18.783 3.113 -3.277 1.00 0.00 H new ATOM 0 HH21 ARG A 78 18.264 0.185 -5.115 1.00 0.00 H new ATOM 0 HH22 ARG A 78 19.452 1.348 -4.519 1.00 0.00 H new ATOM 1003 N ARG A 79 13.304 5.777 -4.712 1.00 0.00 N ATOM 1004 CA ARG A 79 13.412 6.434 -6.046 1.00 0.00 C ATOM 1005 C ARG A 79 12.356 5.853 -6.990 1.00 0.00 C ATOM 1006 O ARG A 79 12.540 5.960 -8.191 1.00 0.00 O ATOM 1007 CB ARG A 79 14.806 6.186 -6.627 1.00 0.00 C ATOM 1008 CG ARG A 79 15.862 6.473 -5.558 1.00 0.00 C ATOM 1009 CD ARG A 79 15.678 7.896 -5.026 1.00 0.00 C ATOM 1010 NE ARG A 79 16.866 8.281 -4.211 1.00 0.00 N ATOM 1011 CZ ARG A 79 17.972 8.653 -4.798 1.00 0.00 C ATOM 1012 NH1 ARG A 79 18.046 8.684 -6.102 1.00 0.00 N ATOM 1013 NH2 ARG A 79 19.008 8.993 -4.080 1.00 0.00 N ATOM 1014 OXT ARG A 79 11.381 5.311 -6.494 1.00 0.00 O ATOM 0 H ARG A 79 13.368 6.407 -3.912 1.00 0.00 H new ATOM 0 HA ARG A 79 13.250 7.506 -5.935 1.00 0.00 H new ATOM 0 HB2 ARG A 79 14.891 5.155 -6.970 1.00 0.00 H new ATOM 0 HB3 ARG A 79 14.969 6.825 -7.495 1.00 0.00 H new ATOM 0 HG2 ARG A 79 15.774 5.755 -4.743 1.00 0.00 H new ATOM 0 HG3 ARG A 79 16.861 6.357 -5.978 1.00 0.00 H new ATOM 0 HD2 ARG A 79 15.552 8.592 -5.855 1.00 0.00 H new ATOM 0 HD3 ARG A 79 14.774 7.955 -4.420 1.00 0.00 H new ATOM 0 HE ARG A 79 16.815 8.254 -3.193 1.00 0.00 H new ATOM 0 HH11 ARG A 79 17.238 8.417 -6.665 1.00 0.00 H new ATOM 0 HH12 ARG A 79 18.911 8.975 -6.557 1.00 0.00 H new ATOM 0 HH21 ARG A 79 18.953 8.968 -3.062 1.00 0.00 H new ATOM 0 HH22 ARG A 79 19.872 9.284 -4.537 1.00 0.00 H new TER 1028 ARG A 79