USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 724 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 7 ASN : amide:sc= -1.07 K(o=-8.3,f=-12!) USER MOD Set 1.2: A 116 ASN :FLIP amide:sc= -3.7! C(o=-12!,f=-8.3!) USER MOD Set 1.3: A 119 HIS : no HD1:sc= -3.53 K(o=-8.3,f=-19!) USER MOD Set 2.1: A 5 TYR OH : rot 49:sc= 0.428! USER MOD Set 2.2: A 57 TYR OH : rot -61:sc= 1.15 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 165:sc= -0.403 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.277 USER MOD Single : A 14 GLN : amide:sc=-0.000442 X(o=-0.00044,f=0.051) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 38:sc= -0.0368 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0455 USER MOD Single : A 40 MET CE :methyl -132:sc= -4.54! (180deg=-10!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.102 K(o=-0.1,f=-1) USER MOD Single : A 73 SER OG : rot -166:sc= -1.45 USER MOD Single : A 76 LYS NZ :NH3+ 155:sc= 0.3 (180deg=0.107) USER MOD Single : A 82 MET CE :methyl -141:sc= -0.307 (180deg=-2.75!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 46:sc= -0.117! USER MOD Single : A 102 CYS SG : rot -123:sc= -1.67! USER MOD Single : A 105 SER OG : rot 32:sc= 0.313 USER MOD Single : A 112 LYS NZ :NH3+ -129:sc= 0.959 (180deg=0.127) USER MOD Single : A 115 TYR OH : rot -73:sc= 1.06 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 4.227 7.544 31.012 1.00 3.92 N ATOM 2 CA PRO A 1 2.980 7.229 30.261 1.00 3.44 C ATOM 3 C PRO A 1 1.927 8.314 30.502 1.00 3.50 C ATOM 4 O PRO A 1 0.890 8.068 31.084 1.00 4.94 O ATOM 5 CB PRO A 1 2.525 5.899 30.848 1.00 2.00 C ATOM 6 CG PRO A 1 3.119 5.862 32.217 1.00 4.99 C ATOM 7 CD PRO A 1 4.402 6.648 32.160 1.00 3.38 C ATOM 0 H2 PRO A 1 4.196 8.511 31.335 1.00 3.92 H new ATOM 0 H3 PRO A 1 5.031 7.463 30.389 1.00 3.92 H new ATOM 0 HA PRO A 1 3.134 7.181 29.183 1.00 3.44 H new ATOM 0 HB2 PRO A 1 1.438 5.835 30.887 1.00 2.00 H new ATOM 0 HB3 PRO A 1 2.872 5.061 30.244 1.00 2.00 H new ATOM 0 HG2 PRO A 1 2.434 6.294 32.947 1.00 4.99 H new ATOM 0 HG3 PRO A 1 3.309 4.835 32.527 1.00 4.99 H new ATOM 0 HD2 PRO A 1 4.567 7.208 33.080 1.00 3.38 H new ATOM 0 HD3 PRO A 1 5.264 5.994 32.026 1.00 3.38 H new ATOM 17 N THR A 2 2.186 9.515 30.062 1.00 3.08 N ATOM 18 CA THR A 2 1.199 10.611 30.273 1.00 2.08 C ATOM 19 C THR A 2 0.990 11.400 28.980 1.00 2.52 C ATOM 20 O THR A 2 1.869 11.493 28.146 1.00 2.28 O ATOM 21 CB THR A 2 1.820 11.501 31.350 1.00 3.47 C ATOM 22 OG1 THR A 2 1.884 10.785 32.575 1.00 3.73 O ATOM 23 CG2 THR A 2 0.966 12.755 31.534 1.00 3.09 C ATOM 0 H THR A 2 3.036 9.784 29.567 1.00 3.08 H new ATOM 0 HA THR A 2 0.221 10.231 30.570 1.00 2.08 H new ATOM 0 HB THR A 2 2.826 11.791 31.046 1.00 3.47 H new ATOM 0 HG1 THR A 2 2.283 11.354 33.266 1.00 3.73 H new ATOM 0 HG21 THR A 2 1.410 13.388 32.302 1.00 3.09 H new ATOM 0 HG22 THR A 2 0.919 13.304 30.594 1.00 3.09 H new ATOM 0 HG23 THR A 2 -0.041 12.468 31.838 1.00 3.09 H new ATOM 31 N VAL A 3 -0.169 11.976 28.814 1.00 10.00 N ATOM 32 CA VAL A 3 -0.446 12.767 27.582 1.00 10.00 C ATOM 33 C VAL A 3 -1.253 14.018 27.942 1.00 10.00 C ATOM 34 O VAL A 3 -1.680 14.185 29.067 1.00 10.00 O ATOM 35 CB VAL A 3 -1.261 11.833 26.688 1.00 10.00 C ATOM 36 CG1 VAL A 3 -1.869 12.630 25.533 1.00 10.00 C ATOM 37 CG2 VAL A 3 -0.348 10.741 26.128 1.00 10.00 C ATOM 0 H VAL A 3 -0.939 11.932 29.482 1.00 10.00 H new ATOM 0 HA VAL A 3 0.464 13.105 27.086 1.00 10.00 H new ATOM 0 HB VAL A 3 -2.060 11.377 27.273 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.450 11.963 24.896 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.519 13.409 25.931 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.072 13.087 24.947 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -0.928 10.074 25.490 1.00 10.00 H new ATOM 0 HG22 VAL A 3 0.451 11.199 25.544 1.00 10.00 H new ATOM 0 HG23 VAL A 3 0.085 10.171 26.950 1.00 10.00 H new ATOM 47 N GLU A 4 -1.459 14.902 27.005 1.00 10.00 N ATOM 48 CA GLU A 4 -2.234 16.138 27.316 1.00 10.00 C ATOM 49 C GLU A 4 -3.212 16.465 26.184 1.00 10.00 C ATOM 50 O GLU A 4 -2.817 16.750 25.071 1.00 10.00 O ATOM 51 CB GLU A 4 -1.179 17.236 27.445 1.00 50.00 C ATOM 52 CG GLU A 4 -1.460 18.065 28.700 1.00 50.00 C ATOM 53 CD GLU A 4 -0.169 18.741 29.162 1.00 50.00 C ATOM 54 OE1 GLU A 4 0.641 19.071 28.312 1.00 50.00 O ATOM 55 OE2 GLU A 4 -0.010 18.914 30.359 1.00 50.00 O ATOM 0 H GLU A 4 -1.127 14.824 26.044 1.00 10.00 H new ATOM 0 HA GLU A 4 -2.833 16.030 28.221 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -0.184 16.795 27.502 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -1.194 17.875 26.562 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -2.222 18.816 28.490 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -1.852 17.426 29.491 1.00 50.00 H new ATOM 62 N TYR A 5 -4.488 16.434 26.463 1.00 10.00 N ATOM 63 CA TYR A 5 -5.488 16.753 25.405 1.00 10.00 C ATOM 64 C TYR A 5 -5.958 18.204 25.544 1.00 10.00 C ATOM 65 O TYR A 5 -6.298 18.657 26.620 1.00 10.00 O ATOM 66 CB TYR A 5 -6.649 15.783 25.641 1.00 10.00 C ATOM 67 CG TYR A 5 -7.251 16.033 27.002 1.00 10.00 C ATOM 68 CD1 TYR A 5 -8.248 17.003 27.161 1.00 10.00 C ATOM 69 CD2 TYR A 5 -6.813 15.293 28.107 1.00 10.00 C ATOM 70 CE1 TYR A 5 -8.805 17.233 28.425 1.00 50.00 C ATOM 71 CE2 TYR A 5 -7.371 15.522 29.369 1.00 50.00 C ATOM 72 CZ TYR A 5 -8.367 16.493 29.529 1.00 50.00 C ATOM 73 OH TYR A 5 -8.915 16.719 30.774 1.00 50.00 O ATOM 0 H TYR A 5 -4.880 16.202 27.376 1.00 10.00 H new ATOM 0 HA TYR A 5 -5.074 16.648 24.402 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -7.407 15.912 24.868 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -6.296 14.754 25.572 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -8.587 17.574 26.309 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -6.044 14.545 27.985 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -9.573 17.982 28.548 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -7.033 14.950 30.220 1.00 50.00 H new ATOM 0 HH TYR A 5 -9.893 16.719 30.706 1.00 50.00 H new ATOM 83 N LEU A 6 -5.972 18.938 24.464 1.00 10.00 N ATOM 84 CA LEU A 6 -6.414 20.362 24.530 1.00 10.00 C ATOM 85 C LEU A 6 -7.571 20.602 23.553 1.00 10.00 C ATOM 86 O LEU A 6 -7.411 20.497 22.353 1.00 10.00 O ATOM 87 CB LEU A 6 -5.186 21.173 24.110 1.00 12.50 C ATOM 88 CG LEU A 6 -5.003 22.364 25.056 1.00 12.50 C ATOM 89 CD1 LEU A 6 -3.902 23.279 24.515 1.00 50.00 C ATOM 90 CD2 LEU A 6 -6.312 23.148 25.152 1.00 50.00 C ATOM 0 H LEU A 6 -5.696 18.613 23.537 1.00 10.00 H new ATOM 0 HA LEU A 6 -6.771 20.640 25.522 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -4.298 20.542 24.129 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -5.304 21.525 23.085 1.00 12.50 H new ATOM 0 HG LEU A 6 -4.724 22.001 26.045 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -3.771 24.127 25.187 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -2.967 22.722 24.446 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -4.183 23.640 23.526 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -6.180 23.995 25.825 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -6.592 23.511 24.163 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -7.098 22.498 25.536 1.00 50.00 H new ATOM 102 N ASN A 7 -8.733 20.920 24.056 1.00 10.00 N ATOM 103 CA ASN A 7 -9.893 21.163 23.151 1.00 10.00 C ATOM 104 C ASN A 7 -9.487 22.091 22.005 1.00 10.00 C ATOM 105 O ASN A 7 -9.202 23.255 22.206 1.00 10.00 O ATOM 106 CB ASN A 7 -10.951 21.831 24.028 1.00 10.00 C ATOM 107 CG ASN A 7 -12.218 22.070 23.204 1.00 10.00 C ATOM 108 OD1 ASN A 7 -12.429 21.430 22.193 1.00 12.50 O ATOM 109 ND2 ASN A 7 -13.076 22.972 23.595 1.00 12.50 N ATOM 0 H ASN A 7 -8.929 21.022 25.052 1.00 10.00 H new ATOM 0 HA ASN A 7 -10.260 20.241 22.699 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -11.177 21.201 24.888 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -10.573 22.777 24.416 1.00 10.00 H new ATOM 0 HD21 ASN A 7 -13.923 23.139 23.052 1.00 12.50 H new ATOM 0 HD22 ASN A 7 -12.900 23.510 24.444 1.00 12.50 H new ATOM 116 N TYR A 8 -9.463 21.586 20.803 1.00 50.00 N ATOM 117 CA TYR A 8 -9.080 22.441 19.646 1.00 50.00 C ATOM 118 C TYR A 8 -9.987 23.671 19.589 1.00 50.00 C ATOM 119 O TYR A 8 -9.618 24.705 19.067 1.00 50.00 O ATOM 120 CB TYR A 8 -9.288 21.557 18.416 1.00 50.00 C ATOM 121 CG TYR A 8 -9.291 22.417 17.174 1.00 50.00 C ATOM 122 CD1 TYR A 8 -10.437 23.141 16.828 1.00 50.00 C ATOM 123 CD2 TYR A 8 -8.148 22.486 16.368 1.00 50.00 C ATOM 124 CE1 TYR A 8 -10.441 23.936 15.677 1.00 50.00 C ATOM 125 CE2 TYR A 8 -8.153 23.283 15.216 1.00 50.00 C ATOM 126 CZ TYR A 8 -9.300 24.007 14.871 1.00 50.00 C ATOM 127 OH TYR A 8 -9.304 24.792 13.736 1.00 50.00 O ATOM 0 H TYR A 8 -9.692 20.619 20.572 1.00 50.00 H new ATOM 0 HA TYR A 8 -8.054 22.803 19.713 1.00 50.00 H new ATOM 0 HB2 TYR A 8 -8.496 20.811 18.353 1.00 50.00 H new ATOM 0 HB3 TYR A 8 -10.230 21.016 18.499 1.00 50.00 H new ATOM 0 HD1 TYR A 8 -11.319 23.086 17.449 1.00 50.00 H new ATOM 0 HD2 TYR A 8 -7.264 21.926 16.634 1.00 50.00 H new ATOM 0 HE1 TYR A 8 -11.326 24.495 15.411 1.00 50.00 H new ATOM 0 HE2 TYR A 8 -7.272 23.339 14.594 1.00 50.00 H new ATOM 0 HH TYR A 8 -8.384 24.924 13.426 1.00 50.00 H new ATOM 137 N GLU A 9 -11.171 23.569 20.129 1.00 25.00 N ATOM 138 CA GLU A 9 -12.099 24.735 20.111 1.00 25.00 C ATOM 139 C GLU A 9 -11.499 25.887 20.920 1.00 25.00 C ATOM 140 O GLU A 9 -11.548 27.033 20.519 1.00 25.00 O ATOM 141 CB GLU A 9 -13.386 24.229 20.765 1.00 50.00 C ATOM 142 CG GLU A 9 -14.586 24.625 19.904 1.00 50.00 C ATOM 143 CD GLU A 9 -14.729 26.148 19.895 1.00 50.00 C ATOM 144 OE1 GLU A 9 -14.153 26.783 20.762 1.00 50.00 O ATOM 145 OE2 GLU A 9 -15.414 26.654 19.020 1.00 50.00 O ATOM 0 H GLU A 9 -11.535 22.730 20.581 1.00 25.00 H new ATOM 0 HA GLU A 9 -12.279 25.110 19.104 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -13.348 23.146 20.878 1.00 50.00 H new ATOM 0 HB3 GLU A 9 -13.488 24.650 21.765 1.00 50.00 H new ATOM 0 HG2 GLU A 9 -14.455 24.256 18.887 1.00 50.00 H new ATOM 0 HG3 GLU A 9 -15.494 24.166 20.295 1.00 50.00 H new ATOM 152 N THR A 10 -10.927 25.590 22.056 1.00 50.00 N ATOM 153 CA THR A 10 -10.317 26.667 22.888 1.00 50.00 C ATOM 154 C THR A 10 -9.241 27.397 22.084 1.00 50.00 C ATOM 155 O THR A 10 -9.046 28.588 22.225 1.00 50.00 O ATOM 156 CB THR A 10 -9.695 25.941 24.084 1.00 50.00 C ATOM 157 OG1 THR A 10 -10.687 25.149 24.722 1.00 50.00 O ATOM 158 CG2 THR A 10 -9.141 26.965 25.076 1.00 50.00 C ATOM 0 H THR A 10 -10.856 24.649 22.443 1.00 50.00 H new ATOM 0 HA THR A 10 -11.046 27.414 23.203 1.00 50.00 H new ATOM 0 HB THR A 10 -8.884 25.300 23.738 1.00 50.00 H new ATOM 0 HG1 THR A 10 -10.291 24.682 25.487 1.00 50.00 H new ATOM 0 HG21 THR A 10 -8.699 26.446 25.926 1.00 50.00 H new ATOM 0 HG22 THR A 10 -8.380 27.572 24.586 1.00 50.00 H new ATOM 0 HG23 THR A 10 -9.949 27.608 25.424 1.00 50.00 H new ATOM 166 N LEU A 11 -8.544 26.691 21.237 1.00 50.00 N ATOM 167 CA LEU A 11 -7.483 27.343 20.417 1.00 50.00 C ATOM 168 C LEU A 11 -8.118 28.347 19.451 1.00 50.00 C ATOM 169 O LEU A 11 -7.645 29.454 19.290 1.00 50.00 O ATOM 170 CB LEU A 11 -6.821 26.198 19.648 1.00 50.00 C ATOM 171 CG LEU A 11 -6.025 26.765 18.470 1.00 50.00 C ATOM 172 CD1 LEU A 11 -5.135 27.910 18.958 1.00 50.00 C ATOM 173 CD2 LEU A 11 -5.152 25.662 17.867 1.00 50.00 C ATOM 0 H LEU A 11 -8.663 25.691 21.077 1.00 50.00 H new ATOM 0 HA LEU A 11 -6.763 27.893 21.023 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -6.161 25.636 20.309 1.00 50.00 H new ATOM 0 HB3 LEU A 11 -7.579 25.503 19.287 1.00 50.00 H new ATOM 0 HG LEU A 11 -6.714 27.139 17.713 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -4.568 28.313 18.119 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -5.756 28.696 19.388 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -4.446 27.537 19.716 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -4.585 26.065 17.028 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -4.463 25.288 18.625 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -5.785 24.846 17.518 1.00 50.00 H new ATOM 185 N ASP A 12 -9.189 27.967 18.810 1.00 50.00 N ATOM 186 CA ASP A 12 -9.858 28.897 17.856 1.00 50.00 C ATOM 187 C ASP A 12 -10.721 29.905 18.620 1.00 50.00 C ATOM 188 O ASP A 12 -10.700 31.088 18.347 1.00 50.00 O ATOM 189 CB ASP A 12 -10.730 28.000 16.977 1.00 50.00 C ATOM 190 CG ASP A 12 -11.683 28.866 16.150 1.00 50.00 C ATOM 191 OD1 ASP A 12 -11.450 30.061 16.072 1.00 50.00 O ATOM 192 OD2 ASP A 12 -12.629 28.318 15.608 1.00 50.00 O ATOM 0 H ASP A 12 -9.630 27.052 18.905 1.00 50.00 H new ATOM 0 HA ASP A 12 -9.143 29.473 17.268 1.00 50.00 H new ATOM 0 HB2 ASP A 12 -10.103 27.399 16.318 1.00 50.00 H new ATOM 0 HB3 ASP A 12 -11.298 27.306 17.597 1.00 50.00 H new ATOM 197 N ASP A 13 -11.477 29.443 19.579 1.00 50.00 N ATOM 198 CA ASP A 13 -12.339 30.372 20.364 1.00 50.00 C ATOM 199 C ASP A 13 -11.518 31.572 20.847 1.00 50.00 C ATOM 200 O ASP A 13 -11.859 32.710 20.597 1.00 50.00 O ATOM 201 CB ASP A 13 -12.833 29.540 21.551 1.00 50.00 C ATOM 202 CG ASP A 13 -13.338 30.467 22.659 1.00 50.00 C ATOM 203 OD1 ASP A 13 -12.512 31.101 23.296 1.00 50.00 O ATOM 204 OD2 ASP A 13 -14.541 30.527 22.853 1.00 50.00 O ATOM 0 H ASP A 13 -11.535 28.462 19.853 1.00 50.00 H new ATOM 0 HA ASP A 13 -13.165 30.772 19.776 1.00 50.00 H new ATOM 0 HB2 ASP A 13 -13.632 28.872 21.231 1.00 50.00 H new ATOM 0 HB3 ASP A 13 -12.025 28.913 21.929 1.00 50.00 H new ATOM 209 N GLN A 14 -10.441 31.323 21.540 1.00 50.00 N ATOM 210 CA GLN A 14 -9.601 32.448 22.042 1.00 50.00 C ATOM 211 C GLN A 14 -8.737 33.015 20.911 1.00 50.00 C ATOM 212 O GLN A 14 -8.049 34.001 21.080 1.00 50.00 O ATOM 213 CB GLN A 14 -8.720 31.830 23.129 1.00 50.00 C ATOM 214 CG GLN A 14 -8.673 32.761 24.342 1.00 50.00 C ATOM 215 CD GLN A 14 -9.603 32.226 25.433 1.00 50.00 C ATOM 216 OE1 GLN A 14 -10.798 32.128 25.235 1.00 50.00 O ATOM 217 NE2 GLN A 14 -9.102 31.873 26.586 1.00 50.00 N ATOM 0 H GLN A 14 -10.106 30.390 21.780 1.00 50.00 H new ATOM 0 HA GLN A 14 -10.204 33.272 22.423 1.00 50.00 H new ATOM 0 HB2 GLN A 14 -9.114 30.856 23.420 1.00 50.00 H new ATOM 0 HB3 GLN A 14 -7.713 31.665 22.745 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -7.653 32.831 24.721 1.00 50.00 H new ATOM 0 HG3 GLN A 14 -8.975 33.768 24.053 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -8.099 31.955 26.753 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -9.714 31.515 27.320 1.00 50.00 H new ATOM 226 N GLY A 15 -8.762 32.396 19.762 1.00 50.00 N ATOM 227 CA GLY A 15 -7.937 32.901 18.628 1.00 50.00 C ATOM 228 C GLY A 15 -6.457 32.816 19.004 1.00 50.00 C ATOM 229 O GLY A 15 -5.689 33.726 18.758 1.00 50.00 O ATOM 0 H GLY A 15 -9.317 31.564 19.560 1.00 50.00 H new ATOM 0 HA2 GLY A 15 -8.131 32.312 17.731 1.00 50.00 H new ATOM 0 HA3 GLY A 15 -8.207 33.931 18.397 1.00 50.00 H new ATOM 233 N TRP A 16 -6.051 31.732 19.605 1.00 50.00 N ATOM 234 CA TRP A 16 -4.622 31.587 20.004 1.00 50.00 C ATOM 235 C TRP A 16 -3.795 31.034 18.841 1.00 50.00 C ATOM 236 O TRP A 16 -4.300 30.808 17.760 1.00 50.00 O ATOM 237 CB TRP A 16 -4.639 30.593 21.165 1.00 50.00 C ATOM 238 CG TRP A 16 -4.365 31.314 22.445 1.00 50.00 C ATOM 239 CD1 TRP A 16 -3.801 30.758 23.541 1.00 50.00 C ATOM 240 CD2 TRP A 16 -4.632 32.706 22.782 1.00 50.00 C ATOM 241 NE1 TRP A 16 -3.703 31.721 24.529 1.00 50.00 N ATOM 242 CE2 TRP A 16 -4.203 32.937 24.109 1.00 50.00 C ATOM 243 CE3 TRP A 16 -5.200 33.781 22.073 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -4.330 34.189 24.712 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -5.330 35.042 22.677 1.00 50.00 C ATOM 246 CH2 TRP A 16 -4.895 35.246 23.994 1.00 50.00 C ATOM 0 H TRP A 16 -6.648 30.938 19.838 1.00 50.00 H new ATOM 0 HA TRP A 16 -4.174 32.541 20.283 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -5.607 30.095 21.216 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -3.890 29.818 21.005 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -3.480 29.731 23.630 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -3.309 31.553 25.455 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -5.538 33.635 21.058 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -3.994 34.340 25.727 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -5.768 35.860 22.124 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -4.996 36.218 24.453 1.00 50.00 H new ATOM 257 N ASP A 17 -2.527 30.811 19.058 1.00 50.00 N ATOM 258 CA ASP A 17 -1.666 30.270 17.967 1.00 50.00 C ATOM 259 C ASP A 17 -1.621 28.743 18.041 1.00 50.00 C ATOM 260 O ASP A 17 -2.239 28.134 18.892 1.00 50.00 O ATOM 261 CB ASP A 17 -0.280 30.861 18.226 1.00 50.00 C ATOM 262 CG ASP A 17 -0.083 32.104 17.355 1.00 50.00 C ATOM 263 OD1 ASP A 17 -0.597 33.148 17.723 1.00 50.00 O ATOM 264 OD2 ASP A 17 0.578 31.989 16.336 1.00 50.00 O ATOM 0 H ASP A 17 -2.050 30.980 19.944 1.00 50.00 H new ATOM 0 HA ASP A 17 -2.040 30.530 16.977 1.00 50.00 H new ATOM 0 HB2 ASP A 17 -0.175 31.122 19.279 1.00 50.00 H new ATOM 0 HB3 ASP A 17 0.489 30.122 18.003 1.00 50.00 H new ATOM 269 N MET A 18 -0.893 28.118 17.156 1.00 50.00 N ATOM 270 CA MET A 18 -0.810 26.629 17.178 1.00 50.00 C ATOM 271 C MET A 18 0.180 26.170 18.251 1.00 50.00 C ATOM 272 O MET A 18 -0.146 25.371 19.107 1.00 50.00 O ATOM 273 CB MET A 18 -0.315 26.239 15.785 1.00 50.00 C ATOM 274 CG MET A 18 -1.348 25.331 15.114 1.00 50.00 C ATOM 275 SD MET A 18 -2.584 26.344 14.265 1.00 50.00 S ATOM 276 CE MET A 18 -2.759 25.305 12.794 1.00 50.00 C ATOM 0 H MET A 18 -0.353 28.573 16.420 1.00 50.00 H new ATOM 0 HA MET A 18 -1.768 26.165 17.413 1.00 50.00 H new ATOM 0 HB2 MET A 18 -0.153 27.132 15.181 1.00 50.00 H new ATOM 0 HB3 MET A 18 0.644 25.726 15.858 1.00 50.00 H new ATOM 0 HG2 MET A 18 -0.856 24.667 14.403 1.00 50.00 H new ATOM 0 HG3 MET A 18 -1.831 24.699 15.859 1.00 50.00 H new ATOM 0 HE1 MET A 18 -3.489 25.751 12.118 1.00 50.00 H new ATOM 0 HE2 MET A 18 -1.797 25.226 12.288 1.00 50.00 H new ATOM 0 HE3 MET A 18 -3.097 24.311 13.088 1.00 50.00 H new ATOM 286 N ASP A 19 1.387 26.666 18.212 1.00 50.00 N ATOM 287 CA ASP A 19 2.395 26.255 19.232 1.00 50.00 C ATOM 288 C ASP A 19 3.102 27.485 19.810 1.00 50.00 C ATOM 289 O ASP A 19 3.946 27.376 20.677 1.00 50.00 O ATOM 290 CB ASP A 19 3.388 25.374 18.476 1.00 50.00 C ATOM 291 CG ASP A 19 3.788 26.063 17.170 1.00 50.00 C ATOM 292 OD1 ASP A 19 3.046 25.946 16.209 1.00 50.00 O ATOM 293 OD2 ASP A 19 4.831 26.696 17.152 1.00 50.00 O ATOM 0 H ASP A 19 1.719 27.337 17.519 1.00 50.00 H new ATOM 0 HA ASP A 19 1.939 25.730 20.071 1.00 50.00 H new ATOM 0 HB2 ASP A 19 4.271 25.193 19.089 1.00 50.00 H new ATOM 0 HB3 ASP A 19 2.942 24.402 18.265 1.00 50.00 H new ATOM 298 N ASP A 20 2.766 28.654 19.337 1.00 50.00 N ATOM 299 CA ASP A 20 3.425 29.885 19.863 1.00 50.00 C ATOM 300 C ASP A 20 2.950 30.171 21.291 1.00 50.00 C ATOM 301 O ASP A 20 3.743 30.304 22.203 1.00 50.00 O ATOM 302 CB ASP A 20 2.990 31.004 18.917 1.00 50.00 C ATOM 303 CG ASP A 20 4.222 31.595 18.227 1.00 50.00 C ATOM 304 OD1 ASP A 20 4.887 30.862 17.515 1.00 50.00 O ATOM 305 OD2 ASP A 20 4.477 32.772 18.425 1.00 50.00 O ATOM 0 H ASP A 20 2.066 28.811 18.612 1.00 50.00 H new ATOM 0 HA ASP A 20 4.510 29.787 19.904 1.00 50.00 H new ATOM 0 HB2 ASP A 20 2.294 30.616 18.173 1.00 50.00 H new ATOM 0 HB3 ASP A 20 2.463 31.780 19.472 1.00 50.00 H new ATOM 310 N ASP A 21 1.664 30.266 21.494 1.00 50.00 N ATOM 311 CA ASP A 21 1.146 30.543 22.865 1.00 50.00 C ATOM 312 C ASP A 21 1.272 29.294 23.740 1.00 50.00 C ATOM 313 O ASP A 21 0.977 29.317 24.919 1.00 50.00 O ATOM 314 CB ASP A 21 -0.324 30.916 22.668 1.00 50.00 C ATOM 315 CG ASP A 21 -0.512 32.410 22.944 1.00 50.00 C ATOM 316 OD1 ASP A 21 0.354 33.177 22.558 1.00 50.00 O ATOM 317 OD2 ASP A 21 -1.519 32.761 23.536 1.00 50.00 O ATOM 0 H ASP A 21 0.951 30.164 20.772 1.00 50.00 H new ATOM 0 HA ASP A 21 1.703 31.337 23.364 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -0.637 30.681 21.651 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -0.952 30.329 23.338 1.00 50.00 H new ATOM 322 N ASP A 22 1.710 28.203 23.174 1.00 50.00 N ATOM 323 CA ASP A 22 1.855 26.956 23.980 1.00 50.00 C ATOM 324 C ASP A 22 0.625 26.760 24.871 1.00 50.00 C ATOM 325 O ASP A 22 0.732 26.612 26.072 1.00 50.00 O ATOM 326 CB ASP A 22 3.106 27.180 24.828 1.00 50.00 C ATOM 327 CG ASP A 22 3.897 25.874 24.927 1.00 50.00 C ATOM 328 OD1 ASP A 22 3.998 25.189 23.922 1.00 50.00 O ATOM 329 OD2 ASP A 22 4.388 25.582 26.004 1.00 50.00 O ATOM 0 H ASP A 22 1.973 28.120 22.192 1.00 50.00 H new ATOM 0 HA ASP A 22 1.940 26.065 23.358 1.00 50.00 H new ATOM 0 HB2 ASP A 22 3.725 27.959 24.383 1.00 50.00 H new ATOM 0 HB3 ASP A 22 2.826 27.524 25.824 1.00 50.00 H new ATOM 334 N LEU A 23 -0.542 26.763 24.286 1.00 50.00 N ATOM 335 CA LEU A 23 -1.786 26.581 25.091 1.00 50.00 C ATOM 336 C LEU A 23 -1.583 25.506 26.164 1.00 50.00 C ATOM 337 O LEU A 23 -2.008 25.655 27.293 1.00 50.00 O ATOM 338 CB LEU A 23 -2.849 26.139 24.083 1.00 50.00 C ATOM 339 CG LEU A 23 -2.881 27.120 22.908 1.00 50.00 C ATOM 340 CD1 LEU A 23 -2.271 26.457 21.671 1.00 50.00 C ATOM 341 CD2 LEU A 23 -4.329 27.515 22.611 1.00 50.00 C ATOM 0 H LEU A 23 -0.689 26.884 23.284 1.00 50.00 H new ATOM 0 HA LEU A 23 -2.071 27.494 25.614 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -2.629 25.133 23.725 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -3.826 26.099 24.564 1.00 50.00 H new ATOM 0 HG LEU A 23 -2.306 28.010 23.164 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -2.294 27.156 20.835 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -1.239 26.176 21.881 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -2.845 25.566 21.415 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -4.351 28.213 21.774 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -4.904 26.625 22.356 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -4.765 27.989 23.491 1.00 50.00 H new ATOM 353 N PHE A 24 -0.938 24.424 25.823 1.00 50.00 N ATOM 354 CA PHE A 24 -0.710 23.342 26.826 1.00 50.00 C ATOM 355 C PHE A 24 -0.027 23.916 28.069 1.00 50.00 C ATOM 356 O PHE A 24 -0.045 23.325 29.130 1.00 50.00 O ATOM 357 CB PHE A 24 0.212 22.341 26.131 1.00 50.00 C ATOM 358 CG PHE A 24 -0.599 21.454 25.218 1.00 50.00 C ATOM 359 CD1 PHE A 24 -1.512 20.540 25.758 1.00 50.00 C ATOM 360 CD2 PHE A 24 -0.436 21.543 23.830 1.00 50.00 C ATOM 361 CE1 PHE A 24 -2.262 19.716 24.911 1.00 50.00 C ATOM 362 CE2 PHE A 24 -1.186 20.719 22.983 1.00 50.00 C ATOM 363 CZ PHE A 24 -2.099 19.806 23.523 1.00 50.00 C ATOM 0 H PHE A 24 -0.559 24.241 24.894 1.00 50.00 H new ATOM 0 HA PHE A 24 -1.642 22.880 27.152 1.00 50.00 H new ATOM 0 HB2 PHE A 24 0.974 22.870 25.558 1.00 50.00 H new ATOM 0 HB3 PHE A 24 0.734 21.736 26.873 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -1.638 20.471 26.828 1.00 50.00 H new ATOM 0 HD2 PHE A 24 0.268 22.248 23.413 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -2.966 19.011 25.328 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -1.060 20.788 21.913 1.00 50.00 H new ATOM 0 HZ PHE A 24 -2.678 19.171 22.869 1.00 50.00 H new ATOM 373 N GLU A 25 0.578 25.064 27.943 1.00 50.00 N ATOM 374 CA GLU A 25 1.267 25.677 29.115 1.00 50.00 C ATOM 375 C GLU A 25 0.448 26.849 29.662 1.00 50.00 C ATOM 376 O GLU A 25 0.192 26.939 30.846 1.00 50.00 O ATOM 377 CB GLU A 25 2.609 26.168 28.573 1.00 50.00 C ATOM 378 CG GLU A 25 3.692 25.965 29.634 1.00 50.00 C ATOM 379 CD GLU A 25 4.673 24.891 29.160 1.00 50.00 C ATOM 380 OE1 GLU A 25 4.273 23.741 29.090 1.00 50.00 O ATOM 381 OE2 GLU A 25 5.807 25.238 28.874 1.00 50.00 O ATOM 0 H GLU A 25 0.626 25.605 27.080 1.00 50.00 H new ATOM 0 HA GLU A 25 1.391 24.970 29.935 1.00 50.00 H new ATOM 0 HB2 GLU A 25 2.868 25.623 27.665 1.00 50.00 H new ATOM 0 HB3 GLU A 25 2.541 27.222 28.304 1.00 50.00 H new ATOM 0 HG2 GLU A 25 4.220 26.901 29.814 1.00 50.00 H new ATOM 0 HG3 GLU A 25 3.239 25.667 30.580 1.00 50.00 H new ATOM 388 N LYS A 26 0.035 27.748 28.810 1.00 50.00 N ATOM 389 CA LYS A 26 -0.766 28.912 29.285 1.00 50.00 C ATOM 390 C LYS A 26 -2.146 28.450 29.753 1.00 50.00 C ATOM 391 O LYS A 26 -2.739 29.030 30.641 1.00 50.00 O ATOM 392 CB LYS A 26 -0.892 29.832 28.069 1.00 50.00 C ATOM 393 CG LYS A 26 -0.772 31.289 28.518 1.00 50.00 C ATOM 394 CD LYS A 26 0.575 31.851 28.065 1.00 50.00 C ATOM 395 CE LYS A 26 1.300 32.469 29.262 1.00 50.00 C ATOM 396 NZ LYS A 26 2.515 33.108 28.682 1.00 50.00 N ATOM 0 H LYS A 26 0.217 27.727 27.807 1.00 50.00 H new ATOM 0 HA LYS A 26 -0.297 29.416 30.130 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -0.115 29.599 27.341 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -1.850 29.670 27.575 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -1.585 31.879 28.096 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -0.860 31.355 29.602 1.00 50.00 H new ATOM 0 HD2 LYS A 26 1.183 31.059 27.628 1.00 50.00 H new ATOM 0 HD3 LYS A 26 0.425 32.602 27.290 1.00 50.00 H new ATOM 0 HE2 LYS A 26 0.672 33.201 29.770 1.00 50.00 H new ATOM 0 HE3 LYS A 26 1.565 31.711 29.999 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 3.068 33.556 29.441 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 3.096 32.385 28.211 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 2.231 33.830 27.989 1.00 50.00 H new ATOM 410 N ALA A 27 -2.662 27.408 29.163 1.00 50.00 N ATOM 411 CA ALA A 27 -4.005 26.906 29.573 1.00 50.00 C ATOM 412 C ALA A 27 -3.985 26.497 31.048 1.00 50.00 C ATOM 413 O ALA A 27 -4.954 26.665 31.762 1.00 50.00 O ATOM 414 CB ALA A 27 -4.265 25.694 28.681 1.00 50.00 C ATOM 0 H ALA A 27 -2.212 26.881 28.414 1.00 50.00 H new ATOM 0 HA ALA A 27 -4.782 27.663 29.464 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -5.238 25.267 28.923 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -4.254 26.002 27.636 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -3.489 24.947 28.847 1.00 50.00 H new ATOM 420 N ALA A 28 -2.887 25.963 31.509 1.00 50.00 N ATOM 421 CA ALA A 28 -2.803 25.547 32.938 1.00 50.00 C ATOM 422 C ALA A 28 -2.768 26.782 33.841 1.00 50.00 C ATOM 423 O ALA A 28 -3.147 26.732 34.995 1.00 50.00 O ATOM 424 CB ALA A 28 -1.495 24.764 33.047 1.00 50.00 C ATOM 0 H ALA A 28 -2.045 25.797 30.958 1.00 50.00 H new ATOM 0 HA ALA A 28 -3.660 24.949 33.248 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -1.360 24.422 34.073 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -1.530 23.903 32.379 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -0.661 25.408 32.766 1.00 50.00 H new ATOM 430 N ASP A 29 -2.316 27.891 33.322 1.00 50.00 N ATOM 431 CA ASP A 29 -2.258 29.131 34.146 1.00 50.00 C ATOM 432 C ASP A 29 -3.648 29.766 34.234 1.00 50.00 C ATOM 433 O ASP A 29 -3.923 30.565 35.108 1.00 50.00 O ATOM 434 CB ASP A 29 -1.291 30.055 33.406 1.00 50.00 C ATOM 435 CG ASP A 29 -1.302 31.437 34.062 1.00 50.00 C ATOM 436 OD1 ASP A 29 -1.115 31.501 35.266 1.00 50.00 O ATOM 437 OD2 ASP A 29 -1.498 32.407 33.350 1.00 50.00 O ATOM 0 H ASP A 29 -1.984 27.992 32.363 1.00 50.00 H new ATOM 0 HA ASP A 29 -1.930 28.936 35.167 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -0.284 29.638 33.429 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -1.579 30.136 32.358 1.00 50.00 H new ATOM 442 N ALA A 30 -4.526 29.417 33.335 1.00 50.00 N ATOM 443 CA ALA A 30 -5.899 29.999 33.364 1.00 50.00 C ATOM 444 C ALA A 30 -6.841 29.088 34.151 1.00 50.00 C ATOM 445 O ALA A 30 -7.374 29.461 35.177 1.00 50.00 O ATOM 446 CB ALA A 30 -6.326 30.079 31.898 1.00 50.00 C ATOM 0 H ALA A 30 -4.353 28.753 32.580 1.00 50.00 H new ATOM 0 HA ALA A 30 -5.925 30.975 33.848 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -7.330 30.499 31.834 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -5.631 30.716 31.351 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -6.322 29.080 31.463 1.00 50.00 H new ATOM 452 N GLY A 31 -7.048 27.893 33.676 1.00 50.00 N ATOM 453 CA GLY A 31 -7.953 26.949 34.390 1.00 50.00 C ATOM 454 C GLY A 31 -9.197 26.690 33.539 1.00 50.00 C ATOM 455 O GLY A 31 -10.269 27.187 33.823 1.00 50.00 O ATOM 0 H GLY A 31 -6.628 27.527 32.821 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -7.434 26.011 34.588 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -8.240 27.365 35.356 1.00 50.00 H new ATOM 459 N LEU A 32 -9.063 25.916 32.497 1.00 50.00 N ATOM 460 CA LEU A 32 -10.239 25.627 31.628 1.00 50.00 C ATOM 461 C LEU A 32 -10.984 24.392 32.139 1.00 50.00 C ATOM 462 O LEU A 32 -10.585 23.769 33.104 1.00 50.00 O ATOM 463 CB LEU A 32 -9.649 25.362 30.242 1.00 50.00 C ATOM 464 CG LEU A 32 -9.437 26.691 29.516 1.00 50.00 C ATOM 465 CD1 LEU A 32 -8.084 26.672 28.801 1.00 50.00 C ATOM 466 CD2 LEU A 32 -10.554 26.896 28.491 1.00 50.00 C ATOM 0 H LEU A 32 -8.191 25.472 32.210 1.00 50.00 H new ATOM 0 HA LEU A 32 -10.957 26.447 31.617 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -8.702 24.830 30.334 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -10.319 24.723 29.666 1.00 50.00 H new ATOM 0 HG LEU A 32 -9.454 27.507 30.239 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -7.933 27.619 28.283 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -7.288 26.527 29.532 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -8.066 25.857 28.078 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -10.403 27.843 27.973 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -10.538 26.081 27.768 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -11.517 26.910 29.001 1.00 50.00 H new ATOM 478 N ASP A 33 -12.064 24.032 31.502 1.00 50.00 N ATOM 479 CA ASP A 33 -12.833 22.837 31.952 1.00 50.00 C ATOM 480 C ASP A 33 -12.006 21.567 31.741 1.00 50.00 C ATOM 481 O ASP A 33 -11.415 21.365 30.698 1.00 50.00 O ATOM 482 CB ASP A 33 -14.085 22.814 31.074 1.00 50.00 C ATOM 483 CG ASP A 33 -15.329 22.792 31.963 1.00 50.00 C ATOM 484 OD1 ASP A 33 -15.533 23.753 32.687 1.00 50.00 O ATOM 485 OD2 ASP A 33 -16.057 21.814 31.906 1.00 50.00 O ATOM 0 H ASP A 33 -12.448 24.514 30.689 1.00 50.00 H new ATOM 0 HA ASP A 33 -13.082 22.882 33.012 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -14.104 23.690 30.425 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -14.072 21.938 30.426 1.00 50.00 H new ATOM 490 N GLY A 34 -11.960 20.709 32.722 1.00 50.00 N ATOM 491 CA GLY A 34 -11.172 19.453 32.576 1.00 50.00 C ATOM 492 C GLY A 34 -11.646 18.696 31.334 1.00 50.00 C ATOM 493 O GLY A 34 -10.938 17.876 30.785 1.00 50.00 O ATOM 0 H GLY A 34 -12.434 20.823 33.618 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -10.110 19.685 32.491 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -11.292 18.830 33.463 1.00 50.00 H new ATOM 497 N GLU A 35 -12.843 18.963 30.887 1.00 50.00 N ATOM 498 CA GLU A 35 -13.361 18.257 29.680 1.00 50.00 C ATOM 499 C GLU A 35 -12.792 18.892 28.409 1.00 50.00 C ATOM 500 O GLU A 35 -13.011 18.412 27.314 1.00 50.00 O ATOM 501 CB GLU A 35 -14.879 18.438 29.738 1.00 50.00 C ATOM 502 CG GLU A 35 -15.557 17.067 29.723 1.00 50.00 C ATOM 503 CD GLU A 35 -15.477 16.475 28.316 1.00 50.00 C ATOM 504 OE1 GLU A 35 -15.298 17.240 27.383 1.00 50.00 O ATOM 505 OE2 GLU A 35 -15.595 15.267 28.195 1.00 50.00 O ATOM 0 H GLU A 35 -13.484 19.638 31.304 1.00 50.00 H new ATOM 0 HA GLU A 35 -13.076 17.205 29.662 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -15.157 18.983 30.640 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -15.218 19.032 28.889 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -15.072 16.402 30.437 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -16.598 17.161 30.031 1.00 50.00 H new ATOM 512 N ASP A 36 -12.064 19.967 28.543 1.00 50.00 N ATOM 513 CA ASP A 36 -11.481 20.629 27.339 1.00 50.00 C ATOM 514 C ASP A 36 -9.952 20.600 27.406 1.00 50.00 C ATOM 515 O ASP A 36 -9.284 20.303 26.436 1.00 50.00 O ATOM 516 CB ASP A 36 -11.992 22.070 27.392 1.00 50.00 C ATOM 517 CG ASP A 36 -13.516 22.074 27.270 1.00 50.00 C ATOM 518 OD1 ASP A 36 -14.099 21.005 27.330 1.00 50.00 O ATOM 519 OD2 ASP A 36 -14.075 23.149 27.119 1.00 50.00 O ATOM 0 H ASP A 36 -11.847 20.416 29.433 1.00 50.00 H new ATOM 0 HA ASP A 36 -11.768 20.128 26.414 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -11.690 22.540 28.328 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -11.550 22.654 26.585 1.00 50.00 H new ATOM 524 N TYR A 37 -9.393 20.908 28.543 1.00 12.50 N ATOM 525 CA TYR A 37 -7.909 20.901 28.669 1.00 12.50 C ATOM 526 C TYR A 37 -7.490 20.168 29.947 1.00 12.50 C ATOM 527 O TYR A 37 -7.823 20.572 31.044 1.00 12.50 O ATOM 528 CB TYR A 37 -7.514 22.376 28.739 1.00 12.50 C ATOM 529 CG TYR A 37 -6.091 22.497 29.230 1.00 12.50 C ATOM 530 CD1 TYR A 37 -5.068 21.784 28.595 1.00 50.00 C ATOM 531 CD2 TYR A 37 -5.796 23.323 30.321 1.00 50.00 C ATOM 532 CE1 TYR A 37 -3.749 21.895 29.051 1.00 50.00 C ATOM 533 CE2 TYR A 37 -4.477 23.435 30.777 1.00 50.00 C ATOM 534 CZ TYR A 37 -3.453 22.721 30.141 1.00 12.50 C ATOM 535 OH TYR A 37 -2.153 22.833 30.590 1.00 50.00 O ATOM 0 H TYR A 37 -9.900 21.164 29.390 1.00 12.50 H new ATOM 0 HA TYR A 37 -7.424 20.388 27.838 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -7.610 22.836 27.755 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -8.187 22.912 29.408 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -5.296 21.148 27.753 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -6.586 23.874 30.811 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -2.960 21.343 28.562 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -4.249 24.072 31.619 1.00 50.00 H new ATOM 0 HH TYR A 37 -1.541 22.827 29.825 1.00 50.00 H new ATOM 545 N GLY A 38 -6.765 19.091 29.815 1.00 10.00 N ATOM 546 CA GLY A 38 -6.329 18.333 31.022 1.00 10.00 C ATOM 547 C GLY A 38 -5.243 17.328 30.630 1.00 10.00 C ATOM 548 O GLY A 38 -5.088 16.988 29.475 1.00 10.00 O ATOM 0 H GLY A 38 -6.456 18.703 28.924 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -5.948 19.020 31.778 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -7.179 17.812 31.464 1.00 10.00 H new ATOM 552 N THR A 39 -4.488 16.852 31.583 1.00 10.00 N ATOM 553 CA THR A 39 -3.413 15.869 31.261 1.00 10.00 C ATOM 554 C THR A 39 -3.988 14.451 31.214 1.00 10.00 C ATOM 555 O THR A 39 -4.563 13.972 32.171 1.00 10.00 O ATOM 556 CB THR A 39 -2.403 16.001 32.401 1.00 50.00 C ATOM 557 OG1 THR A 39 -2.482 17.308 32.955 1.00 50.00 O ATOM 558 CG2 THR A 39 -0.992 15.755 31.866 1.00 50.00 C ATOM 0 H THR A 39 -4.569 17.101 32.569 1.00 10.00 H new ATOM 0 HA THR A 39 -2.958 16.058 30.289 1.00 10.00 H new ATOM 0 HB THR A 39 -2.629 15.266 33.173 1.00 50.00 H new ATOM 0 HG1 THR A 39 -1.836 17.393 33.687 1.00 50.00 H new ATOM 0 HG21 THR A 39 -0.273 15.849 32.680 1.00 50.00 H new ATOM 0 HG22 THR A 39 -0.933 14.752 31.444 1.00 50.00 H new ATOM 0 HG23 THR A 39 -0.763 16.488 31.093 1.00 50.00 H new ATOM 566 N MET A 40 -3.840 13.778 30.106 1.00 10.00 N ATOM 567 CA MET A 40 -4.379 12.392 29.997 1.00 10.00 C ATOM 568 C MET A 40 -3.368 11.384 30.550 1.00 10.00 C ATOM 569 O MET A 40 -2.354 11.111 29.940 1.00 10.00 O ATOM 570 CB MET A 40 -4.590 12.167 28.499 1.00 10.00 C ATOM 571 CG MET A 40 -5.704 11.139 28.290 1.00 10.00 C ATOM 572 SD MET A 40 -5.850 10.762 26.526 1.00 12.50 S ATOM 573 CE MET A 40 -7.586 11.232 26.337 1.00 50.00 C ATOM 0 H MET A 40 -3.369 14.128 29.271 1.00 10.00 H new ATOM 0 HA MET A 40 -5.300 12.263 30.565 1.00 10.00 H new ATOM 0 HB2 MET A 40 -4.852 13.107 28.012 1.00 10.00 H new ATOM 0 HB3 MET A 40 -3.666 11.816 28.039 1.00 10.00 H new ATOM 0 HG2 MET A 40 -5.485 10.230 28.851 1.00 10.00 H new ATOM 0 HG3 MET A 40 -6.649 11.528 28.670 1.00 10.00 H new ATOM 0 HE1 MET A 40 -8.120 10.446 25.803 1.00 50.00 H new ATOM 0 HE2 MET A 40 -8.034 11.371 27.321 1.00 50.00 H new ATOM 0 HE3 MET A 40 -7.652 12.163 25.773 1.00 50.00 H new ATOM 583 N GLU A 41 -3.638 10.825 31.697 1.00 10.00 N ATOM 584 CA GLU A 41 -2.691 9.834 32.280 1.00 10.00 C ATOM 585 C GLU A 41 -3.067 8.422 31.826 1.00 10.00 C ATOM 586 O GLU A 41 -4.101 7.898 32.188 1.00 10.00 O ATOM 587 CB GLU A 41 -2.847 9.970 33.794 1.00 10.00 C ATOM 588 CG GLU A 41 -1.995 8.908 34.490 1.00 10.00 C ATOM 589 CD GLU A 41 -1.870 9.245 35.978 1.00 12.50 C ATOM 590 OE1 GLU A 41 -2.548 10.158 36.416 1.00 12.50 O ATOM 591 OE2 GLU A 41 -1.097 8.584 36.652 1.00 12.50 O ATOM 0 H GLU A 41 -4.472 11.011 32.255 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.663 10.010 31.964 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -2.540 10.966 34.114 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -3.894 9.854 34.075 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -2.449 7.925 34.366 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -1.007 8.863 34.033 1.00 10.00 H new ATOM 598 N VAL A 42 -2.234 7.802 31.035 1.00 10.00 N ATOM 599 CA VAL A 42 -2.548 6.423 30.558 1.00 10.00 C ATOM 600 C VAL A 42 -1.262 5.606 30.420 1.00 10.00 C ATOM 601 O VAL A 42 -0.320 6.018 29.770 1.00 10.00 O ATOM 602 CB VAL A 42 -3.207 6.617 29.193 1.00 10.00 C ATOM 603 CG1 VAL A 42 -3.598 5.255 28.618 1.00 10.00 C ATOM 604 CG2 VAL A 42 -4.459 7.483 29.347 1.00 10.00 C ATOM 0 H VAL A 42 -1.352 8.188 30.699 1.00 10.00 H new ATOM 0 HA VAL A 42 -3.194 5.884 31.251 1.00 10.00 H new ATOM 0 HB VAL A 42 -2.506 7.110 28.519 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -4.068 5.393 27.644 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -2.707 4.638 28.507 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -4.298 4.763 29.293 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -4.928 7.621 28.373 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -5.160 6.992 30.021 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -4.181 8.454 29.757 1.00 10.00 H new ATOM 614 N ALA A 43 -1.215 4.450 31.021 1.00 10.00 N ATOM 615 CA ALA A 43 0.011 3.607 30.919 1.00 10.00 C ATOM 616 C ALA A 43 0.331 3.319 29.449 1.00 10.00 C ATOM 617 O ALA A 43 -0.532 3.372 28.595 1.00 10.00 O ATOM 618 CB ALA A 43 -0.340 2.313 31.654 1.00 50.00 C ATOM 0 H ALA A 43 -1.971 4.052 31.578 1.00 10.00 H new ATOM 0 HA ALA A 43 0.887 4.095 31.346 1.00 10.00 H new ATOM 0 HB1 ALA A 43 0.513 1.635 31.625 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -0.588 2.539 32.691 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -1.195 1.841 31.171 1.00 50.00 H new ATOM 624 N GLU A 44 1.563 3.013 29.147 1.00 10.00 N ATOM 625 CA GLU A 44 1.928 2.721 27.733 1.00 10.00 C ATOM 626 C GLU A 44 1.373 1.357 27.321 1.00 10.00 C ATOM 627 O GLU A 44 1.766 0.331 27.841 1.00 10.00 O ATOM 628 CB GLU A 44 3.457 2.710 27.710 1.00 10.00 C ATOM 629 CG GLU A 44 3.981 4.073 28.165 1.00 10.00 C ATOM 630 CD GLU A 44 4.780 3.904 29.459 1.00 25.00 C ATOM 631 OE1 GLU A 44 4.439 3.024 30.232 1.00 25.00 O ATOM 632 OE2 GLU A 44 5.718 4.659 29.655 1.00 25.00 O ATOM 0 H GLU A 44 2.330 2.953 29.816 1.00 10.00 H new ATOM 0 HA GLU A 44 1.519 3.455 27.039 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.836 1.925 28.365 1.00 10.00 H new ATOM 0 HB3 GLU A 44 3.815 2.487 26.705 1.00 10.00 H new ATOM 0 HG2 GLU A 44 4.611 4.510 27.390 1.00 10.00 H new ATOM 0 HG3 GLU A 44 3.150 4.760 28.325 1.00 10.00 H new ATOM 639 N GLY A 45 0.455 1.340 26.396 1.00 10.00 N ATOM 640 CA GLY A 45 -0.137 0.048 25.955 1.00 10.00 C ATOM 641 C GLY A 45 -1.634 0.054 26.271 1.00 10.00 C ATOM 642 O GLY A 45 -2.381 -0.785 25.809 1.00 10.00 O ATOM 0 H GLY A 45 0.089 2.168 25.926 1.00 10.00 H new ATOM 0 HA2 GLY A 45 0.022 -0.094 24.886 1.00 10.00 H new ATOM 0 HA3 GLY A 45 0.352 -0.783 26.463 1.00 10.00 H new ATOM 646 N GLU A 46 -2.077 1.000 27.053 1.00 10.00 N ATOM 647 CA GLU A 46 -3.527 1.068 27.397 1.00 10.00 C ATOM 648 C GLU A 46 -4.255 1.974 26.401 1.00 10.00 C ATOM 649 O GLU A 46 -4.040 3.169 26.365 1.00 10.00 O ATOM 650 CB GLU A 46 -3.575 1.665 28.804 1.00 10.00 C ATOM 651 CG GLU A 46 -4.656 0.954 29.622 1.00 10.00 C ATOM 652 CD GLU A 46 -4.987 1.786 30.862 1.00 10.00 C ATOM 653 OE1 GLU A 46 -5.129 2.990 30.723 1.00 10.00 O ATOM 654 OE2 GLU A 46 -5.095 1.206 31.930 1.00 10.00 O ATOM 0 H GLU A 46 -1.498 1.729 27.469 1.00 10.00 H new ATOM 0 HA GLU A 46 -4.011 0.092 27.357 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.605 1.557 29.290 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -3.787 2.733 28.751 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -5.551 0.812 29.016 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -4.311 -0.037 29.917 1.00 10.00 H new ATOM 661 N TYR A 47 -5.111 1.412 25.591 1.00 10.00 N ATOM 662 CA TYR A 47 -5.849 2.240 24.594 1.00 10.00 C ATOM 663 C TYR A 47 -6.315 3.551 25.235 1.00 10.00 C ATOM 664 O TYR A 47 -7.004 3.554 26.235 1.00 10.00 O ATOM 665 CB TYR A 47 -7.046 1.382 24.180 1.00 10.00 C ATOM 666 CG TYR A 47 -6.552 0.085 23.584 1.00 10.00 C ATOM 667 CD1 TYR A 47 -5.497 0.094 22.666 1.00 10.00 C ATOM 668 CD2 TYR A 47 -7.150 -1.127 23.952 1.00 10.00 C ATOM 669 CE1 TYR A 47 -5.038 -1.107 22.113 1.00 10.00 C ATOM 670 CE2 TYR A 47 -6.692 -2.330 23.400 1.00 10.00 C ATOM 671 CZ TYR A 47 -5.636 -2.319 22.479 1.00 10.00 C ATOM 672 OH TYR A 47 -5.183 -3.504 21.935 1.00 10.00 O ATOM 0 H TYR A 47 -5.331 0.416 25.576 1.00 10.00 H new ATOM 0 HA TYR A 47 -5.230 2.512 23.740 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -7.679 1.180 25.044 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -7.658 1.918 23.455 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -5.036 1.029 22.383 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -7.964 -1.134 24.661 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -4.223 -1.099 21.404 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -7.152 -3.265 23.684 1.00 10.00 H new ATOM 0 HH TYR A 47 -5.705 -4.250 22.296 1.00 10.00 H new ATOM 682 N ILE A 48 -5.934 4.663 24.669 1.00 10.00 N ATOM 683 CA ILE A 48 -6.343 5.975 25.248 1.00 10.00 C ATOM 684 C ILE A 48 -7.869 6.107 25.269 1.00 10.00 C ATOM 685 O ILE A 48 -8.462 6.301 26.312 1.00 10.00 O ATOM 686 CB ILE A 48 -5.720 7.024 24.329 1.00 10.00 C ATOM 687 CG1 ILE A 48 -4.206 7.069 24.559 1.00 10.00 C ATOM 688 CG2 ILE A 48 -6.323 8.396 24.639 1.00 10.00 C ATOM 689 CD1 ILE A 48 -3.916 7.684 25.929 1.00 10.00 C ATOM 0 H ILE A 48 -5.357 4.720 23.830 1.00 10.00 H new ATOM 0 HA ILE A 48 -6.011 6.088 26.280 1.00 10.00 H new ATOM 0 HB ILE A 48 -5.923 6.764 23.290 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -3.789 6.063 24.504 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -3.726 7.656 23.776 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -5.879 9.145 23.984 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -7.400 8.365 24.477 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -6.120 8.656 25.678 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -2.839 7.716 26.093 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -4.319 8.696 25.966 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -4.383 7.079 26.706 1.00 10.00 H new ATOM 701 N LEU A 49 -8.514 6.009 24.133 1.00 10.00 N ATOM 702 CA LEU A 49 -10.002 6.135 24.115 1.00 10.00 C ATOM 703 C LEU A 49 -10.612 5.375 25.297 1.00 10.00 C ATOM 704 O LEU A 49 -11.677 5.707 25.779 1.00 10.00 O ATOM 705 CB LEU A 49 -10.444 5.506 22.793 1.00 10.00 C ATOM 706 CG LEU A 49 -10.191 3.997 22.836 1.00 10.00 C ATOM 707 CD1 LEU A 49 -11.353 3.305 23.549 1.00 10.00 C ATOM 708 CD2 LEU A 49 -10.077 3.456 21.409 1.00 10.00 C ATOM 0 H LEU A 49 -8.078 5.849 23.225 1.00 10.00 H new ATOM 0 HA LEU A 49 -10.325 7.172 24.200 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -11.502 5.703 22.620 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -9.896 5.954 21.964 1.00 10.00 H new ATOM 0 HG LEU A 49 -9.264 3.801 23.375 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -11.173 2.230 23.580 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -11.436 3.688 24.566 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -12.280 3.502 23.010 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -9.897 2.381 21.441 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -11.004 3.653 20.870 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -9.249 3.948 20.898 1.00 10.00 H new ATOM 720 N GLU A 50 -9.942 4.358 25.768 1.00 10.00 N ATOM 721 CA GLU A 50 -10.481 3.577 26.920 1.00 10.00 C ATOM 722 C GLU A 50 -10.199 4.307 28.237 1.00 10.00 C ATOM 723 O GLU A 50 -11.072 4.468 29.066 1.00 10.00 O ATOM 724 CB GLU A 50 -9.735 2.244 26.875 1.00 10.00 C ATOM 725 CG GLU A 50 -10.618 1.149 27.476 1.00 10.00 C ATOM 726 CD GLU A 50 -10.229 -0.203 26.875 1.00 50.00 C ATOM 727 OE1 GLU A 50 -9.085 -0.345 26.478 1.00 50.00 O ATOM 728 OE2 GLU A 50 -11.082 -1.073 26.823 1.00 50.00 O ATOM 0 H GLU A 50 -9.045 4.034 25.406 1.00 10.00 H new ATOM 0 HA GLU A 50 -11.561 3.444 26.859 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -9.476 1.994 25.846 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.800 2.319 27.430 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -10.501 1.125 28.559 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -11.668 1.361 27.274 1.00 10.00 H new ATOM 735 N ALA A 51 -8.985 4.745 28.435 1.00 10.00 N ATOM 736 CA ALA A 51 -8.647 5.458 29.700 1.00 10.00 C ATOM 737 C ALA A 51 -9.452 6.750 29.815 1.00 10.00 C ATOM 738 O ALA A 51 -10.021 7.053 30.845 1.00 10.00 O ATOM 739 CB ALA A 51 -7.152 5.766 29.593 1.00 12.50 C ATOM 0 H ALA A 51 -8.213 4.640 27.776 1.00 10.00 H new ATOM 0 HA ALA A 51 -8.880 4.862 30.582 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -6.824 6.293 30.489 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -6.595 4.834 29.495 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -6.971 6.391 28.718 1.00 12.50 H new ATOM 745 N ALA A 52 -9.505 7.512 28.764 1.00 10.00 N ATOM 746 CA ALA A 52 -10.272 8.789 28.806 1.00 10.00 C ATOM 747 C ALA A 52 -11.772 8.503 28.893 1.00 10.00 C ATOM 748 O ALA A 52 -12.499 9.159 29.611 1.00 10.00 O ATOM 749 CB ALA A 52 -9.934 9.500 27.497 1.00 10.00 C ATOM 0 H ALA A 52 -9.050 7.308 27.874 1.00 10.00 H new ATOM 0 HA ALA A 52 -10.015 9.396 29.675 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -10.463 10.452 27.453 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.860 9.679 27.447 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -10.238 8.877 26.656 1.00 10.00 H new ATOM 755 N GLU A 53 -12.234 7.527 28.170 1.00 10.00 N ATOM 756 CA GLU A 53 -13.687 7.191 28.211 1.00 10.00 C ATOM 757 C GLU A 53 -14.090 6.806 29.634 1.00 10.00 C ATOM 758 O GLU A 53 -15.176 7.105 30.089 1.00 10.00 O ATOM 759 CB GLU A 53 -13.852 6.004 27.263 1.00 10.00 C ATOM 760 CG GLU A 53 -15.209 5.338 27.507 1.00 10.00 C ATOM 761 CD GLU A 53 -16.302 6.409 27.549 1.00 10.00 C ATOM 762 OE1 GLU A 53 -16.161 7.399 26.849 1.00 10.00 O ATOM 763 OE2 GLU A 53 -17.261 6.221 28.278 1.00 10.00 O ATOM 0 H GLU A 53 -11.671 6.944 27.550 1.00 10.00 H new ATOM 0 HA GLU A 53 -14.316 8.030 27.915 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -13.781 6.339 26.228 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -13.049 5.285 27.421 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -15.420 4.618 26.716 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -15.191 4.784 28.446 1.00 10.00 H new ATOM 770 N ALA A 54 -13.216 6.149 30.340 1.00 10.00 N ATOM 771 CA ALA A 54 -13.535 5.745 31.740 1.00 10.00 C ATOM 772 C ALA A 54 -13.337 6.933 32.685 1.00 10.00 C ATOM 773 O ALA A 54 -13.525 6.825 33.881 1.00 10.00 O ATOM 774 CB ALA A 54 -12.542 4.628 32.065 1.00 50.00 C ATOM 0 H ALA A 54 -12.292 5.872 30.009 1.00 10.00 H new ATOM 0 HA ALA A 54 -14.568 5.416 31.853 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -12.712 4.275 33.082 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -12.681 3.803 31.367 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -11.524 5.009 31.978 1.00 50.00 H new ATOM 780 N GLN A 55 -12.957 8.065 32.157 1.00 10.00 N ATOM 781 CA GLN A 55 -12.747 9.259 33.023 1.00 10.00 C ATOM 782 C GLN A 55 -13.883 10.265 32.817 1.00 10.00 C ATOM 783 O GLN A 55 -14.262 10.981 33.722 1.00 10.00 O ATOM 784 CB GLN A 55 -11.416 9.853 32.562 1.00 10.00 C ATOM 785 CG GLN A 55 -10.316 9.474 33.555 1.00 10.00 C ATOM 786 CD GLN A 55 -10.520 10.246 34.859 1.00 10.00 C ATOM 787 OE1 GLN A 55 -10.881 11.406 34.842 1.00 10.00 O ATOM 788 NE2 GLN A 55 -10.300 9.649 35.998 1.00 10.00 N ATOM 0 H GLN A 55 -12.783 8.214 31.163 1.00 10.00 H new ATOM 0 HA GLN A 55 -12.734 9.005 34.083 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -11.166 9.483 31.568 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -11.496 10.938 32.488 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -10.338 8.401 33.747 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -9.337 9.702 33.134 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -9.997 8.675 36.013 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -10.431 10.156 36.873 1.00 10.00 H new ATOM 797 N GLY A 56 -14.430 10.320 31.635 1.00 10.00 N ATOM 798 CA GLY A 56 -15.544 11.276 31.373 1.00 10.00 C ATOM 799 C GLY A 56 -15.197 12.165 30.175 1.00 10.00 C ATOM 800 O GLY A 56 -15.717 13.253 30.029 1.00 10.00 O ATOM 0 H GLY A 56 -14.155 9.745 30.839 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -16.466 10.729 31.176 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -15.721 11.892 32.255 1.00 10.00 H new ATOM 804 N TYR A 57 -14.325 11.713 29.313 1.00 10.00 N ATOM 805 CA TYR A 57 -13.956 12.537 28.127 1.00 10.00 C ATOM 806 C TYR A 57 -14.786 12.116 26.913 1.00 10.00 C ATOM 807 O TYR A 57 -14.790 10.964 26.524 1.00 10.00 O ATOM 808 CB TYR A 57 -12.478 12.242 27.874 1.00 10.00 C ATOM 809 CG TYR A 57 -11.634 12.863 28.962 1.00 10.00 C ATOM 810 CD1 TYR A 57 -11.907 14.160 29.412 1.00 10.00 C ATOM 811 CD2 TYR A 57 -10.572 12.139 29.514 1.00 10.00 C ATOM 812 CE1 TYR A 57 -11.117 14.731 30.419 1.00 12.50 C ATOM 813 CE2 TYR A 57 -9.782 12.708 30.518 1.00 12.50 C ATOM 814 CZ TYR A 57 -10.054 14.005 30.970 1.00 12.50 C ATOM 815 OH TYR A 57 -9.274 14.568 31.960 1.00 12.50 O ATOM 0 H TYR A 57 -13.854 10.811 29.379 1.00 10.00 H new ATOM 0 HA TYR A 57 -14.140 13.598 28.297 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -12.313 11.165 27.845 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -12.181 12.636 26.902 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -12.725 14.720 28.984 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -10.362 11.139 29.164 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -11.328 15.730 30.770 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -8.963 12.148 30.944 1.00 12.50 H new ATOM 0 HH TYR A 57 -8.835 15.372 31.613 1.00 12.50 H new ATOM 825 N ASP A 58 -15.480 13.035 26.303 1.00 10.00 N ATOM 826 CA ASP A 58 -16.297 12.677 25.109 1.00 10.00 C ATOM 827 C ASP A 58 -15.492 12.945 23.834 1.00 10.00 C ATOM 828 O ASP A 58 -14.576 13.742 23.827 1.00 10.00 O ATOM 829 CB ASP A 58 -17.522 13.588 25.175 1.00 10.00 C ATOM 830 CG ASP A 58 -18.762 12.806 24.734 1.00 10.00 C ATOM 831 OD1 ASP A 58 -18.726 11.589 24.806 1.00 10.00 O ATOM 832 OD2 ASP A 58 -19.722 13.438 24.328 1.00 10.00 O ATOM 0 H ASP A 58 -15.518 14.017 26.578 1.00 10.00 H new ATOM 0 HA ASP A 58 -16.580 11.625 25.097 1.00 10.00 H new ATOM 0 HB2 ASP A 58 -17.656 13.962 26.190 1.00 10.00 H new ATOM 0 HB3 ASP A 58 -17.378 14.456 24.532 1.00 10.00 H new ATOM 837 N TRP A 59 -15.822 12.286 22.757 1.00 10.00 N ATOM 838 CA TRP A 59 -15.064 12.512 21.493 1.00 10.00 C ATOM 839 C TRP A 59 -16.021 12.610 20.302 1.00 10.00 C ATOM 840 O TRP A 59 -17.167 12.212 20.386 1.00 10.00 O ATOM 841 CB TRP A 59 -14.148 11.296 21.357 1.00 10.00 C ATOM 842 CG TRP A 59 -13.191 11.268 22.505 1.00 10.00 C ATOM 843 CD1 TRP A 59 -13.392 10.608 23.668 1.00 10.00 C ATOM 844 CD2 TRP A 59 -11.889 11.916 22.623 1.00 10.00 C ATOM 845 NE1 TRP A 59 -12.300 10.813 24.493 1.00 50.00 N ATOM 846 CE2 TRP A 59 -11.348 11.611 23.894 1.00 50.00 C ATOM 847 CE3 TRP A 59 -11.134 12.731 21.760 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -10.103 12.096 24.295 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -9.881 13.222 22.161 1.00 50.00 C ATOM 850 CH2 TRP A 59 -9.366 12.905 23.426 1.00 50.00 C ATOM 0 H TRP A 59 -16.579 11.605 22.697 1.00 10.00 H new ATOM 0 HA TRP A 59 -14.500 13.445 21.513 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -14.740 10.381 21.339 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -13.602 11.341 20.415 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -14.262 10.017 23.913 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -12.210 10.421 25.431 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -11.520 12.981 20.783 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -9.711 11.848 25.270 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -9.310 13.848 21.491 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -8.401 13.285 23.728 1.00 50.00 H new ATOM 861 N PRO A 60 -15.508 13.150 19.232 1.00 10.00 N ATOM 862 CA PRO A 60 -16.311 13.327 17.996 1.00 10.00 C ATOM 863 C PRO A 60 -16.534 11.983 17.293 1.00 10.00 C ATOM 864 O PRO A 60 -16.030 10.960 17.709 1.00 10.00 O ATOM 865 CB PRO A 60 -15.449 14.252 17.141 1.00 10.00 C ATOM 866 CG PRO A 60 -14.048 14.038 17.626 1.00 10.00 C ATOM 867 CD PRO A 60 -14.137 13.645 19.078 1.00 10.00 C ATOM 0 HA PRO A 60 -17.305 13.731 18.189 1.00 10.00 H new ATOM 0 HB2 PRO A 60 -15.541 14.010 16.082 1.00 10.00 H new ATOM 0 HB3 PRO A 60 -15.752 15.293 17.257 1.00 10.00 H new ATOM 0 HG2 PRO A 60 -13.554 13.259 17.046 1.00 10.00 H new ATOM 0 HG3 PRO A 60 -13.457 14.946 17.508 1.00 10.00 H new ATOM 0 HD2 PRO A 60 -13.406 12.877 19.328 1.00 10.00 H new ATOM 0 HD3 PRO A 60 -13.944 14.494 19.733 1.00 10.00 H new ATOM 1011 N ALA A 72 -10.926 12.130 15.290 1.00 10.00 N ATOM 1012 CA ALA A 72 -10.533 13.538 14.987 1.00 10.00 C ATOM 1013 C ALA A 72 -9.629 14.099 16.090 1.00 10.00 C ATOM 1014 O ALA A 72 -10.093 14.672 17.055 1.00 10.00 O ATOM 1015 CB ALA A 72 -11.850 14.313 14.928 1.00 10.00 C ATOM 0 HA ALA A 72 -9.970 13.612 14.056 1.00 10.00 H new ATOM 0 HB1 ALA A 72 -11.646 15.361 14.709 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -12.483 13.895 14.145 1.00 10.00 H new ATOM 0 HB3 ALA A 72 -12.361 14.236 15.888 1.00 10.00 H new ATOM 1021 N SER A 73 -8.343 13.943 15.946 1.00 10.00 N ATOM 1022 CA SER A 73 -7.401 14.472 16.974 1.00 10.00 C ATOM 1023 C SER A 73 -6.151 15.022 16.283 1.00 10.00 C ATOM 1024 O SER A 73 -5.977 14.858 15.094 1.00 10.00 O ATOM 1025 CB SER A 73 -7.048 13.267 17.848 1.00 50.00 C ATOM 1026 OG SER A 73 -5.996 12.534 17.238 1.00 50.00 O ATOM 0 H SER A 73 -7.901 13.470 15.158 1.00 10.00 H new ATOM 0 HA SER A 73 -7.831 15.282 17.563 1.00 10.00 H new ATOM 0 HB2 SER A 73 -6.746 13.600 18.841 1.00 50.00 H new ATOM 0 HB3 SER A 73 -7.922 12.629 17.978 1.00 50.00 H new ATOM 0 HG SER A 73 -5.917 11.656 17.667 1.00 50.00 H new ATOM 1032 N ILE A 74 -5.284 15.677 17.006 1.00 10.00 N ATOM 1033 CA ILE A 74 -4.055 16.230 16.365 1.00 10.00 C ATOM 1034 C ILE A 74 -2.873 16.183 17.337 1.00 10.00 C ATOM 1035 O ILE A 74 -2.604 17.133 18.046 1.00 10.00 O ATOM 1036 CB ILE A 74 -4.401 17.680 16.017 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -5.597 17.715 15.063 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -3.197 18.342 15.345 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -5.218 17.049 13.737 1.00 10.00 C ATOM 0 H ILE A 74 -5.372 15.853 18.007 1.00 10.00 H new ATOM 0 HA ILE A 74 -3.763 15.656 15.485 1.00 10.00 H new ATOM 0 HB ILE A 74 -4.654 18.218 16.931 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -6.447 17.199 15.510 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -5.905 18.746 14.888 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -3.441 19.375 15.096 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -2.345 18.324 16.025 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -2.945 17.799 14.434 1.00 50.00 H new ATOM 0 HD11 ILE A 74 -6.072 17.075 13.060 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -4.381 17.584 13.287 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -4.931 16.013 13.919 1.00 10.00 H new ATOM 1051 N VAL A 75 -2.156 15.091 17.373 1.00 10.00 N ATOM 1052 CA VAL A 75 -0.987 15.003 18.297 1.00 10.00 C ATOM 1053 C VAL A 75 -0.060 16.200 18.067 1.00 10.00 C ATOM 1054 O VAL A 75 0.471 16.385 16.990 1.00 10.00 O ATOM 1055 CB VAL A 75 -0.283 13.692 17.935 1.00 50.00 C ATOM 1056 CG1 VAL A 75 0.294 13.787 16.522 1.00 50.00 C ATOM 1057 CG2 VAL A 75 0.851 13.431 18.928 1.00 50.00 C ATOM 0 H VAL A 75 -2.328 14.261 16.806 1.00 10.00 H new ATOM 0 HA VAL A 75 -1.281 15.019 19.346 1.00 10.00 H new ATOM 0 HB VAL A 75 -1.003 12.875 17.977 1.00 50.00 H new ATOM 0 HG11 VAL A 75 0.794 12.852 16.269 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -0.512 13.971 15.812 1.00 50.00 H new ATOM 0 HG13 VAL A 75 1.012 14.606 16.476 1.00 50.00 H new ATOM 0 HG21 VAL A 75 1.352 12.498 18.671 1.00 50.00 H new ATOM 0 HG22 VAL A 75 1.567 14.251 18.886 1.00 50.00 H new ATOM 0 HG23 VAL A 75 0.442 13.357 19.936 1.00 50.00 H new ATOM 1067 N LYS A 76 0.131 17.023 19.064 1.00 10.00 N ATOM 1068 CA LYS A 76 1.015 18.210 18.881 1.00 10.00 C ATOM 1069 C LYS A 76 2.464 17.853 19.216 1.00 10.00 C ATOM 1070 O LYS A 76 3.379 18.602 18.931 1.00 10.00 O ATOM 1071 CB LYS A 76 0.482 19.259 19.857 1.00 25.00 C ATOM 1072 CG LYS A 76 1.215 20.582 19.632 1.00 25.00 C ATOM 1073 CD LYS A 76 0.196 21.715 19.502 1.00 50.00 C ATOM 1074 CE LYS A 76 -0.648 21.501 18.244 1.00 50.00 C ATOM 1075 NZ LYS A 76 -1.504 22.716 18.147 1.00 50.00 N ATOM 0 H LYS A 76 -0.284 16.926 19.991 1.00 10.00 H new ATOM 0 HA LYS A 76 1.009 18.570 17.852 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -0.590 19.395 19.712 1.00 25.00 H new ATOM 0 HB3 LYS A 76 0.624 18.922 20.884 1.00 25.00 H new ATOM 0 HG2 LYS A 76 1.892 20.781 20.463 1.00 25.00 H new ATOM 0 HG3 LYS A 76 1.826 20.523 18.731 1.00 25.00 H new ATOM 0 HD2 LYS A 76 -0.446 21.744 20.383 1.00 50.00 H new ATOM 0 HD3 LYS A 76 0.709 22.675 19.450 1.00 50.00 H new ATOM 0 HE2 LYS A 76 -0.019 21.389 17.361 1.00 50.00 H new ATOM 0 HE3 LYS A 76 -1.252 20.597 18.322 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 -1.784 22.865 17.157 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 -2.355 22.589 18.732 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 -0.972 23.543 18.485 1.00 50.00 H new ATOM 1089 N GLU A 77 2.684 16.715 19.814 1.00 10.00 N ATOM 1090 CA GLU A 77 4.078 16.316 20.161 1.00 10.00 C ATOM 1091 C GLU A 77 4.082 14.933 20.814 1.00 10.00 C ATOM 1092 O GLU A 77 3.173 14.571 21.533 1.00 10.00 O ATOM 1093 CB GLU A 77 4.566 17.379 21.147 1.00 10.00 C ATOM 1094 CG GLU A 77 5.928 17.909 20.693 1.00 10.00 C ATOM 1095 CD GLU A 77 6.928 17.802 21.847 1.00 25.00 C ATOM 1096 OE1 GLU A 77 6.498 17.876 22.986 1.00 25.00 O ATOM 1097 OE2 GLU A 77 8.107 17.648 21.570 1.00 25.00 O ATOM 0 H GLU A 77 1.961 16.045 20.077 1.00 10.00 H new ATOM 0 HA GLU A 77 4.720 16.255 19.283 1.00 10.00 H new ATOM 0 HB2 GLU A 77 3.846 18.196 21.203 1.00 10.00 H new ATOM 0 HB3 GLU A 77 4.644 16.954 22.148 1.00 10.00 H new ATOM 0 HG2 GLU A 77 6.284 17.339 19.835 1.00 10.00 H new ATOM 0 HG3 GLU A 77 5.838 18.946 20.371 1.00 10.00 H new ATOM 1104 N GLY A 78 5.100 14.158 20.565 1.00 10.00 N ATOM 1105 CA GLY A 78 5.162 12.798 21.165 1.00 10.00 C ATOM 1106 C GLY A 78 4.930 11.756 20.070 1.00 10.00 C ATOM 1107 O GLY A 78 4.505 12.074 18.977 1.00 10.00 O ATOM 0 H GLY A 78 5.891 14.408 19.972 1.00 10.00 H new ATOM 0 HA2 GLY A 78 6.132 12.639 21.636 1.00 10.00 H new ATOM 0 HA3 GLY A 78 4.408 12.697 21.946 1.00 10.00 H new ATOM 1111 N GLU A 79 5.204 10.514 20.352 1.00 10.00 N ATOM 1112 CA GLU A 79 4.998 9.456 19.323 1.00 10.00 C ATOM 1113 C GLU A 79 3.851 8.532 19.737 1.00 10.00 C ATOM 1114 O GLU A 79 3.830 8.006 20.832 1.00 10.00 O ATOM 1115 CB GLU A 79 6.319 8.688 19.281 1.00 25.00 C ATOM 1116 CG GLU A 79 6.592 8.211 17.853 1.00 25.00 C ATOM 1117 CD GLU A 79 7.994 8.652 17.429 1.00 50.00 C ATOM 1118 OE1 GLU A 79 8.920 8.428 18.192 1.00 50.00 O ATOM 1119 OE2 GLU A 79 8.119 9.204 16.348 1.00 50.00 O ATOM 0 H GLU A 79 5.561 10.185 21.249 1.00 10.00 H new ATOM 0 HA GLU A 79 4.734 9.869 18.349 1.00 10.00 H new ATOM 0 HB2 GLU A 79 7.133 9.327 19.623 1.00 25.00 H new ATOM 0 HB3 GLU A 79 6.277 7.835 19.958 1.00 25.00 H new ATOM 0 HG2 GLU A 79 6.508 7.126 17.798 1.00 25.00 H new ATOM 0 HG3 GLU A 79 5.848 8.623 17.172 1.00 25.00 H new ATOM 1126 N ILE A 80 2.897 8.331 18.872 1.00 10.00 N ATOM 1127 CA ILE A 80 1.752 7.443 19.218 1.00 10.00 C ATOM 1128 C ILE A 80 1.881 6.104 18.487 1.00 10.00 C ATOM 1129 O ILE A 80 2.588 5.986 17.507 1.00 10.00 O ATOM 1130 CB ILE A 80 0.511 8.198 18.745 1.00 10.00 C ATOM 1131 CG1 ILE A 80 0.404 9.525 19.499 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -0.735 7.354 19.018 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -0.559 10.457 18.759 1.00 50.00 C ATOM 0 H ILE A 80 2.860 8.743 17.940 1.00 10.00 H new ATOM 0 HA ILE A 80 1.710 7.218 20.284 1.00 10.00 H new ATOM 0 HB ILE A 80 0.590 8.393 17.675 1.00 10.00 H new ATOM 0 HG12 ILE A 80 0.049 9.351 20.515 1.00 10.00 H new ATOM 0 HG13 ILE A 80 1.387 9.990 19.580 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -1.620 7.893 18.681 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -0.659 6.409 18.481 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -0.815 7.158 20.087 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -0.635 11.402 19.296 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -0.185 10.641 17.752 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -1.543 9.992 18.701 1.00 50.00 H new ATOM 1145 N ASP A 81 1.202 5.094 18.958 1.00 10.00 N ATOM 1146 CA ASP A 81 1.287 3.764 18.292 1.00 10.00 C ATOM 1147 C ASP A 81 -0.116 3.201 18.054 1.00 10.00 C ATOM 1148 O ASP A 81 -0.968 3.245 18.918 1.00 10.00 O ATOM 1149 CB ASP A 81 2.059 2.881 19.272 1.00 10.00 C ATOM 1150 CG ASP A 81 2.396 1.549 18.601 1.00 10.00 C ATOM 1151 OD1 ASP A 81 1.484 0.914 18.097 1.00 10.00 O ATOM 1152 OD2 ASP A 81 3.561 1.185 18.601 1.00 10.00 O ATOM 0 H ASP A 81 0.592 5.133 19.775 1.00 10.00 H new ATOM 0 HA ASP A 81 1.776 3.819 17.319 1.00 10.00 H new ATOM 0 HB2 ASP A 81 2.974 3.383 19.588 1.00 10.00 H new ATOM 0 HB3 ASP A 81 1.464 2.708 20.169 1.00 10.00 H new ATOM 1157 N MET A 82 -0.362 2.672 16.887 1.00 12.50 N ATOM 1158 CA MET A 82 -1.710 2.107 16.595 1.00 12.50 C ATOM 1159 C MET A 82 -1.583 0.862 15.714 1.00 12.50 C ATOM 1160 O MET A 82 -0.755 0.798 14.828 1.00 12.50 O ATOM 1161 CB MET A 82 -2.452 3.216 15.850 1.00 12.50 C ATOM 1162 CG MET A 82 -3.936 2.857 15.749 1.00 12.50 C ATOM 1163 SD MET A 82 -4.330 2.390 14.045 1.00 12.50 S ATOM 1164 CE MET A 82 -3.957 3.986 13.281 1.00 50.00 C ATOM 0 H MET A 82 0.311 2.607 16.124 1.00 12.50 H new ATOM 0 HA MET A 82 -2.234 1.803 17.501 1.00 12.50 H new ATOM 0 HB2 MET A 82 -2.331 4.164 16.373 1.00 12.50 H new ATOM 0 HB3 MET A 82 -2.029 3.345 14.854 1.00 12.50 H new ATOM 0 HG2 MET A 82 -4.169 2.035 16.426 1.00 12.50 H new ATOM 0 HG3 MET A 82 -4.548 3.705 16.056 1.00 12.50 H new ATOM 0 HE1 MET A 82 -4.690 4.197 12.503 1.00 50.00 H new ATOM 0 HE2 MET A 82 -3.995 4.769 14.038 1.00 50.00 H new ATOM 0 HE3 MET A 82 -2.960 3.955 12.841 1.00 50.00 H new ATOM 1174 N ASP A 83 -2.397 -0.130 15.952 1.00 50.00 N ATOM 1175 CA ASP A 83 -2.322 -1.372 15.129 1.00 50.00 C ATOM 1176 C ASP A 83 -2.623 -1.052 13.663 1.00 50.00 C ATOM 1177 O ASP A 83 -3.130 0.004 13.339 1.00 50.00 O ATOM 1178 CB ASP A 83 -3.395 -2.294 15.707 1.00 50.00 C ATOM 1179 CG ASP A 83 -2.755 -3.264 16.703 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -1.628 -3.667 16.466 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -3.403 -3.587 17.685 1.00 50.00 O ATOM 0 H ASP A 83 -3.111 -0.135 16.681 1.00 50.00 H new ATOM 0 HA ASP A 83 -1.333 -1.829 15.158 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -4.167 -1.705 16.202 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -3.883 -2.849 14.905 1.00 50.00 H new ATOM 1275 N SER A 89 -1.440 6.551 6.783 1.00 12.50 N ATOM 1276 CA SER A 89 -0.032 6.747 6.329 1.00 12.50 C ATOM 1277 C SER A 89 0.728 7.627 7.325 1.00 12.50 C ATOM 1278 O SER A 89 0.174 8.537 7.910 1.00 12.50 O ATOM 1279 CB SER A 89 -0.148 7.446 4.975 1.00 12.50 C ATOM 1280 OG SER A 89 0.471 6.648 3.976 1.00 12.50 O ATOM 0 HA SER A 89 0.514 5.806 6.257 1.00 12.50 H new ATOM 0 HB2 SER A 89 -1.197 7.610 4.727 1.00 12.50 H new ATOM 0 HB3 SER A 89 0.326 8.427 5.018 1.00 12.50 H new ATOM 0 HG SER A 89 0.395 7.095 3.107 1.00 12.50 H new ATOM 1286 N ASP A 90 1.992 7.366 7.521 1.00 10.00 N ATOM 1287 CA ASP A 90 2.783 8.192 8.479 1.00 10.00 C ATOM 1288 C ASP A 90 2.625 9.678 8.153 1.00 10.00 C ATOM 1289 O ASP A 90 2.491 10.507 9.031 1.00 10.00 O ATOM 1290 CB ASP A 90 4.233 7.749 8.279 1.00 10.00 C ATOM 1291 CG ASP A 90 5.117 8.398 9.346 1.00 10.00 C ATOM 1292 OD1 ASP A 90 5.005 9.600 9.531 1.00 10.00 O ATOM 1293 OD2 ASP A 90 5.891 7.684 9.961 1.00 10.00 O ATOM 0 H ASP A 90 2.511 6.618 7.060 1.00 10.00 H new ATOM 0 HA ASP A 90 2.454 8.058 9.510 1.00 10.00 H new ATOM 0 HB2 ASP A 90 4.305 6.663 8.343 1.00 10.00 H new ATOM 0 HB3 ASP A 90 4.577 8.033 7.285 1.00 10.00 H new ATOM 1298 N GLU A 91 2.634 10.017 6.896 1.00 12.50 N ATOM 1299 CA GLU A 91 2.480 11.448 6.507 1.00 12.50 C ATOM 1300 C GLU A 91 1.206 12.019 7.132 1.00 12.50 C ATOM 1301 O GLU A 91 1.066 13.214 7.303 1.00 12.50 O ATOM 1302 CB GLU A 91 2.370 11.436 4.983 1.00 12.50 C ATOM 1303 CG GLU A 91 3.580 10.713 4.388 1.00 12.50 C ATOM 1304 CD GLU A 91 4.235 11.603 3.331 1.00 50.00 C ATOM 1305 OE1 GLU A 91 3.509 12.215 2.566 1.00 50.00 O ATOM 1306 OE2 GLU A 91 5.454 11.656 3.302 1.00 50.00 O ATOM 0 H GLU A 91 2.741 9.365 6.119 1.00 12.50 H new ATOM 0 HA GLU A 91 3.312 12.065 6.847 1.00 12.50 H new ATOM 0 HB2 GLU A 91 1.450 10.938 4.678 1.00 12.50 H new ATOM 0 HB3 GLU A 91 2.320 12.457 4.604 1.00 12.50 H new ATOM 0 HG2 GLU A 91 4.297 10.474 5.173 1.00 12.50 H new ATOM 0 HG3 GLU A 91 3.270 9.768 3.942 1.00 12.50 H new ATOM 1313 N GLU A 92 0.280 11.169 7.479 1.00 10.00 N ATOM 1314 CA GLU A 92 -0.987 11.656 8.095 1.00 10.00 C ATOM 1315 C GLU A 92 -0.727 12.133 9.526 1.00 10.00 C ATOM 1316 O GLU A 92 -1.182 13.183 9.933 1.00 10.00 O ATOM 1317 CB GLU A 92 -1.918 10.443 8.096 1.00 50.00 C ATOM 1318 CG GLU A 92 -3.352 10.901 8.363 1.00 50.00 C ATOM 1319 CD GLU A 92 -3.947 10.070 9.501 1.00 50.00 C ATOM 1320 OE1 GLU A 92 -3.177 9.509 10.263 1.00 50.00 O ATOM 1321 OE2 GLU A 92 -5.162 10.010 9.591 1.00 50.00 O ATOM 0 H GLU A 92 0.345 10.158 7.363 1.00 10.00 H new ATOM 0 HA GLU A 92 -1.415 12.498 7.551 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -1.862 9.928 7.137 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -1.604 9.731 8.859 1.00 50.00 H new ATOM 0 HG2 GLU A 92 -3.365 11.959 8.625 1.00 50.00 H new ATOM 0 HG3 GLU A 92 -3.955 10.789 7.462 1.00 50.00 H new ATOM 1328 N VAL A 93 0.006 11.371 10.290 1.00 10.00 N ATOM 1329 CA VAL A 93 0.296 11.784 11.692 1.00 10.00 C ATOM 1330 C VAL A 93 1.398 12.846 11.703 1.00 10.00 C ATOM 1331 O VAL A 93 1.545 13.595 12.649 1.00 10.00 O ATOM 1332 CB VAL A 93 0.769 10.510 12.395 1.00 10.00 C ATOM 1333 CG1 VAL A 93 0.905 10.776 13.896 1.00 10.00 C ATOM 1334 CG2 VAL A 93 -0.248 9.390 12.167 1.00 10.00 C ATOM 0 H VAL A 93 0.416 10.482 10.005 1.00 10.00 H new ATOM 0 HA VAL A 93 -0.574 12.217 12.186 1.00 10.00 H new ATOM 0 HB VAL A 93 1.735 10.210 11.989 1.00 10.00 H new ATOM 0 HG11 VAL A 93 1.242 9.869 14.397 1.00 10.00 H new ATOM 0 HG12 VAL A 93 1.631 11.572 14.060 1.00 10.00 H new ATOM 0 HG13 VAL A 93 -0.061 11.077 14.301 1.00 10.00 H new ATOM 0 HG21 VAL A 93 0.091 8.483 12.668 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -1.215 9.689 12.571 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -0.345 9.199 11.098 1.00 10.00 H new ATOM 1344 N GLU A 94 2.172 12.916 10.654 1.00 12.50 N ATOM 1345 CA GLU A 94 3.264 13.929 10.597 1.00 12.50 C ATOM 1346 C GLU A 94 2.723 15.257 10.061 1.00 12.50 C ATOM 1347 O GLU A 94 3.095 16.319 10.519 1.00 12.50 O ATOM 1348 CB GLU A 94 4.297 13.344 9.634 1.00 12.50 C ATOM 1349 CG GLU A 94 5.500 12.825 10.424 1.00 12.50 C ATOM 1350 CD GLU A 94 6.428 13.994 10.765 1.00 12.50 C ATOM 1351 OE1 GLU A 94 6.085 15.115 10.424 1.00 12.50 O ATOM 1352 OE2 GLU A 94 7.465 13.749 11.360 1.00 12.50 O ATOM 0 H GLU A 94 2.095 12.315 9.834 1.00 12.50 H new ATOM 0 HA GLU A 94 3.692 14.132 11.579 1.00 12.50 H new ATOM 0 HB2 GLU A 94 3.852 12.534 9.056 1.00 12.50 H new ATOM 0 HB3 GLU A 94 4.617 14.105 8.922 1.00 12.50 H new ATOM 0 HG2 GLU A 94 5.165 12.334 11.338 1.00 12.50 H new ATOM 0 HG3 GLU A 94 6.038 12.078 9.840 1.00 12.50 H new ATOM 1359 N GLU A 95 1.849 15.205 9.093 1.00 12.50 N ATOM 1360 CA GLU A 95 1.288 16.466 8.528 1.00 12.50 C ATOM 1361 C GLU A 95 -0.057 16.795 9.184 1.00 12.50 C ATOM 1362 O GLU A 95 -0.362 17.940 9.453 1.00 12.50 O ATOM 1363 CB GLU A 95 1.100 16.183 7.037 1.00 25.00 C ATOM 1364 CG GLU A 95 0.529 17.425 6.350 1.00 25.00 C ATOM 1365 CD GLU A 95 -0.402 16.999 5.213 1.00 50.00 C ATOM 1366 OE1 GLU A 95 -0.471 15.810 4.944 1.00 50.00 O ATOM 1367 OE2 GLU A 95 -1.028 17.867 4.630 1.00 50.00 O ATOM 0 H GLU A 95 1.499 14.346 8.669 1.00 12.50 H new ATOM 0 HA GLU A 95 1.942 17.320 8.704 1.00 12.50 H new ATOM 0 HB2 GLU A 95 2.053 15.910 6.585 1.00 25.00 H new ATOM 0 HB3 GLU A 95 0.428 15.336 6.899 1.00 25.00 H new ATOM 0 HG2 GLU A 95 -0.016 18.034 7.071 1.00 25.00 H new ATOM 0 HG3 GLU A 95 1.338 18.042 5.959 1.00 25.00 H new ATOM 1374 N LYS A 96 -0.866 15.803 9.437 1.00 25.00 N ATOM 1375 CA LYS A 96 -2.191 16.064 10.069 1.00 25.00 C ATOM 1376 C LYS A 96 -2.121 15.822 11.581 1.00 25.00 C ATOM 1377 O LYS A 96 -2.907 16.353 12.341 1.00 25.00 O ATOM 1378 CB LYS A 96 -3.145 15.069 9.408 1.00 25.00 C ATOM 1379 CG LYS A 96 -4.396 15.803 8.918 1.00 25.00 C ATOM 1380 CD LYS A 96 -4.666 15.434 7.458 1.00 25.00 C ATOM 1381 CE LYS A 96 -5.582 16.484 6.824 1.00 25.00 C ATOM 1382 NZ LYS A 96 -6.922 15.834 6.762 1.00 25.00 N ATOM 0 H LYS A 96 -0.667 14.823 9.234 1.00 25.00 H new ATOM 0 HA LYS A 96 -2.516 17.095 9.933 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -2.650 14.576 8.572 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -3.423 14.290 10.118 1.00 25.00 H new ATOM 0 HG2 LYS A 96 -5.253 15.535 9.536 1.00 25.00 H new ATOM 0 HG3 LYS A 96 -4.259 16.880 9.012 1.00 25.00 H new ATOM 0 HD2 LYS A 96 -3.727 15.376 6.907 1.00 25.00 H new ATOM 0 HD3 LYS A 96 -5.130 14.450 7.401 1.00 25.00 H new ATOM 0 HE2 LYS A 96 -5.612 17.395 7.421 1.00 25.00 H new ATOM 0 HE3 LYS A 96 -5.233 16.765 5.831 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 -7.607 16.491 6.338 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 -6.864 14.973 6.182 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 -7.231 15.583 7.723 1.00 25.00 H new ATOM 1396 N ASP A 97 -1.188 15.024 12.024 1.00 10.00 N ATOM 1397 CA ASP A 97 -1.070 14.749 13.490 1.00 10.00 C ATOM 1398 C ASP A 97 -2.329 14.041 13.992 1.00 10.00 C ATOM 1399 O ASP A 97 -2.590 13.989 15.178 1.00 10.00 O ATOM 1400 CB ASP A 97 -0.934 16.121 14.167 1.00 50.00 C ATOM 1401 CG ASP A 97 -0.190 17.097 13.249 1.00 50.00 C ATOM 1402 OD1 ASP A 97 0.704 16.654 12.547 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -0.529 18.270 13.264 1.00 50.00 O ATOM 0 H ASP A 97 -0.502 14.550 11.437 1.00 10.00 H new ATOM 0 HA ASP A 97 -0.218 14.106 13.711 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -1.922 16.516 14.405 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -0.397 16.017 15.110 1.00 50.00 H new ATOM 1408 N VAL A 98 -3.117 13.505 13.103 1.00 10.00 N ATOM 1409 CA VAL A 98 -4.362 12.814 13.540 1.00 10.00 C ATOM 1410 C VAL A 98 -4.078 11.348 13.877 1.00 10.00 C ATOM 1411 O VAL A 98 -3.092 10.780 13.448 1.00 10.00 O ATOM 1412 CB VAL A 98 -5.310 12.918 12.344 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -6.491 11.966 12.543 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -5.825 14.353 12.225 1.00 50.00 C ATOM 0 H VAL A 98 -2.954 13.515 12.096 1.00 10.00 H new ATOM 0 HA VAL A 98 -4.784 13.262 14.439 1.00 10.00 H new ATOM 0 HB VAL A 98 -4.776 12.647 11.433 1.00 50.00 H new ATOM 0 HG11 VAL A 98 -7.166 12.041 11.691 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -6.124 10.943 12.627 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -7.026 12.235 13.454 1.00 50.00 H new ATOM 0 HG21 VAL A 98 -6.501 14.428 11.373 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -6.358 14.625 13.136 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -4.984 15.031 12.081 1.00 50.00 H new ATOM 1424 N ARG A 99 -4.937 10.732 14.643 1.00 10.00 N ATOM 1425 CA ARG A 99 -4.720 9.302 15.013 1.00 10.00 C ATOM 1426 C ARG A 99 -6.062 8.572 15.115 1.00 10.00 C ATOM 1427 O ARG A 99 -7.102 9.115 14.803 1.00 10.00 O ATOM 1428 CB ARG A 99 -4.033 9.347 16.378 1.00 50.00 C ATOM 1429 CG ARG A 99 -2.875 8.348 16.401 1.00 50.00 C ATOM 1430 CD ARG A 99 -1.748 8.854 15.497 1.00 50.00 C ATOM 1431 NE ARG A 99 -0.782 7.722 15.417 1.00 50.00 N ATOM 1432 CZ ARG A 99 -0.581 7.114 14.279 1.00 50.00 C ATOM 1433 NH1 ARG A 99 -1.598 6.726 13.559 1.00 50.00 N ATOM 1434 NH2 ARG A 99 0.635 6.895 13.861 1.00 50.00 N ATOM 0 H ARG A 99 -5.780 11.156 15.029 1.00 10.00 H new ATOM 0 HA ARG A 99 -4.124 8.770 14.272 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -3.663 10.353 16.578 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -4.749 9.108 17.165 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -2.510 8.222 17.420 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -3.217 7.370 16.062 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -2.124 9.123 14.510 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -1.278 9.745 15.913 1.00 50.00 H new ATOM 0 HE ARG A 99 -0.278 7.422 16.251 1.00 50.00 H new ATOM 0 HH11 ARG A 99 -2.549 6.898 13.885 1.00 50.00 H new ATOM 0 HH12 ARG A 99 -1.442 6.251 12.670 1.00 50.00 H new ATOM 0 HH21 ARG A 99 1.430 7.199 14.423 1.00 50.00 H new ATOM 0 HH22 ARG A 99 0.791 6.420 12.972 1.00 50.00 H new ATOM 1448 N LEU A 100 -6.045 7.343 15.554 1.00 10.00 N ATOM 1449 CA LEU A 100 -7.317 6.575 15.682 1.00 10.00 C ATOM 1450 C LEU A 100 -7.562 6.214 17.149 1.00 10.00 C ATOM 1451 O LEU A 100 -6.715 6.426 17.995 1.00 10.00 O ATOM 1452 CB LEU A 100 -7.105 5.312 14.848 1.00 10.00 C ATOM 1453 CG LEU A 100 -8.436 4.875 14.235 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -8.299 4.811 12.713 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -8.817 3.493 14.770 1.00 10.00 C ATOM 0 H LEU A 100 -5.204 6.836 15.830 1.00 10.00 H new ATOM 0 HA LEU A 100 -8.182 7.144 15.342 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -6.375 5.502 14.061 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -6.701 4.515 15.472 1.00 10.00 H new ATOM 0 HG LEU A 100 -9.211 5.594 14.502 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -9.247 4.500 12.275 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -8.028 5.795 12.330 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -7.523 4.093 12.447 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -9.766 3.182 14.333 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -8.042 2.774 14.504 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -8.915 3.537 15.855 1.00 10.00 H new ATOM 1467 N THR A 101 -8.709 5.671 17.460 1.00 10.00 N ATOM 1468 CA THR A 101 -8.996 5.303 18.878 1.00 10.00 C ATOM 1469 C THR A 101 -8.519 6.419 19.810 1.00 10.00 C ATOM 1470 O THR A 101 -8.093 6.177 20.926 1.00 10.00 O ATOM 1471 CB THR A 101 -8.198 4.019 19.122 1.00 10.00 C ATOM 1472 OG1 THR A 101 -6.923 4.130 18.505 1.00 10.00 O ATOM 1473 CG2 THR A 101 -8.949 2.826 18.530 1.00 10.00 C ATOM 0 H THR A 101 -9.457 5.467 16.797 1.00 10.00 H new ATOM 0 HA THR A 101 -10.060 5.160 19.066 1.00 10.00 H new ATOM 0 HB THR A 101 -8.072 3.870 20.194 1.00 10.00 H new ATOM 0 HG1 THR A 101 -6.535 5.006 18.712 1.00 10.00 H new ATOM 0 HG21 THR A 101 -8.379 1.914 18.705 1.00 10.00 H new ATOM 0 HG22 THR A 101 -9.927 2.740 19.004 1.00 10.00 H new ATOM 0 HG23 THR A 101 -9.078 2.973 17.458 1.00 10.00 H new ATOM 1481 N CYS A 102 -8.575 7.643 19.353 1.00 10.00 N ATOM 1482 CA CYS A 102 -8.111 8.775 20.201 1.00 10.00 C ATOM 1483 C CYS A 102 -6.734 8.439 20.773 1.00 10.00 C ATOM 1484 O CYS A 102 -6.583 8.206 21.954 1.00 10.00 O ATOM 1485 CB CYS A 102 -9.150 8.893 21.317 1.00 10.00 C ATOM 1486 SG CYS A 102 -10.494 9.983 20.785 1.00 10.00 S ATOM 0 H CYS A 102 -8.922 7.905 18.430 1.00 10.00 H new ATOM 0 HA CYS A 102 -8.018 9.710 19.648 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -9.544 7.908 21.566 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -8.685 9.287 22.220 1.00 10.00 H new ATOM 0 HG CYS A 102 -10.610 10.970 21.623 1.00 10.00 H new ATOM 1491 N ILE A 103 -5.731 8.394 19.934 1.00 10.00 N ATOM 1492 CA ILE A 103 -4.362 8.050 20.415 1.00 10.00 C ATOM 1493 C ILE A 103 -4.343 6.603 20.914 1.00 10.00 C ATOM 1494 O ILE A 103 -4.263 6.349 22.097 1.00 10.00 O ATOM 1495 CB ILE A 103 -4.074 9.024 21.561 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -4.474 10.440 21.142 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -2.580 8.993 21.893 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -5.586 10.951 22.061 1.00 50.00 C ATOM 0 H ILE A 103 -5.803 8.581 18.934 1.00 10.00 H new ATOM 0 HA ILE A 103 -3.612 8.132 19.629 1.00 10.00 H new ATOM 0 HB ILE A 103 -4.648 8.730 22.440 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -3.611 11.103 21.195 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -4.814 10.442 20.107 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -2.374 9.686 22.709 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -2.295 7.985 22.193 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -2.006 9.286 21.014 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -5.870 11.960 21.762 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -6.451 10.293 21.986 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -5.229 10.965 23.091 1.00 50.00 H new ATOM 1510 N GLY A 104 -4.431 5.658 20.012 1.00 10.00 N ATOM 1511 CA GLY A 104 -4.434 4.218 20.410 1.00 10.00 C ATOM 1512 C GLY A 104 -3.508 3.994 21.608 1.00 10.00 C ATOM 1513 O GLY A 104 -3.909 4.136 22.746 1.00 10.00 O ATOM 0 H GLY A 104 -4.501 5.825 19.008 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -5.447 3.906 20.662 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -4.110 3.602 19.571 1.00 10.00 H new ATOM 1517 N SER A 105 -2.275 3.642 21.366 1.00 10.00 N ATOM 1518 CA SER A 105 -1.337 3.408 22.500 1.00 10.00 C ATOM 1519 C SER A 105 -0.177 4.409 22.451 1.00 10.00 C ATOM 1520 O SER A 105 0.443 4.591 21.421 1.00 10.00 O ATOM 1521 CB SER A 105 -0.820 1.984 22.298 1.00 10.00 C ATOM 1522 OG SER A 105 -0.739 1.703 20.909 1.00 10.00 O ATOM 0 H SER A 105 -1.878 3.507 20.436 1.00 10.00 H new ATOM 0 HA SER A 105 -1.824 3.535 23.467 1.00 10.00 H new ATOM 0 HB2 SER A 105 0.161 1.873 22.760 1.00 10.00 H new ATOM 0 HB3 SER A 105 -1.485 1.271 22.786 1.00 10.00 H new ATOM 0 HG SER A 105 -0.524 2.525 20.421 1.00 10.00 H new ATOM 1528 N PRO A 106 0.079 5.025 23.574 1.00 10.00 N ATOM 1529 CA PRO A 106 1.176 6.016 23.667 1.00 10.00 C ATOM 1530 C PRO A 106 2.535 5.309 23.709 1.00 10.00 C ATOM 1531 O PRO A 106 2.779 4.463 24.546 1.00 10.00 O ATOM 1532 CB PRO A 106 0.901 6.732 24.986 1.00 10.00 C ATOM 1533 CG PRO A 106 0.118 5.756 25.806 1.00 10.00 C ATOM 1534 CD PRO A 106 -0.626 4.856 24.850 1.00 10.00 C ATOM 0 HA PRO A 106 1.211 6.695 22.815 1.00 10.00 H new ATOM 0 HB2 PRO A 106 1.830 7.009 25.485 1.00 10.00 H new ATOM 0 HB3 PRO A 106 0.339 7.652 24.825 1.00 10.00 H new ATOM 0 HG2 PRO A 106 0.781 5.173 26.445 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -0.578 6.278 26.462 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -0.605 3.818 25.182 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -1.674 5.143 24.767 1.00 10.00 H new ATOM 1542 N ALA A 107 3.422 5.651 22.814 1.00 10.00 N ATOM 1543 CA ALA A 107 4.763 4.997 22.810 1.00 10.00 C ATOM 1544 C ALA A 107 5.762 5.840 23.606 1.00 10.00 C ATOM 1545 O ALA A 107 6.617 5.321 24.296 1.00 10.00 O ATOM 1546 CB ALA A 107 5.168 4.926 21.336 1.00 50.00 C ATOM 0 H ALA A 107 3.277 6.352 22.088 1.00 10.00 H new ATOM 0 HA ALA A 107 4.744 4.010 23.271 1.00 10.00 H new ATOM 0 HB1 ALA A 107 6.147 4.455 21.250 1.00 50.00 H new ATOM 0 HB2 ALA A 107 4.434 4.339 20.785 1.00 50.00 H new ATOM 0 HB3 ALA A 107 5.212 5.933 20.922 1.00 50.00 H new ATOM 1552 N ALA A 108 5.655 7.135 23.518 1.00 10.00 N ATOM 1553 CA ALA A 108 6.594 8.017 24.272 1.00 10.00 C ATOM 1554 C ALA A 108 6.015 8.342 25.652 1.00 10.00 C ATOM 1555 O ALA A 108 4.819 8.292 25.861 1.00 10.00 O ATOM 1556 CB ALA A 108 6.713 9.286 23.426 1.00 50.00 C ATOM 0 H ALA A 108 4.958 7.624 22.956 1.00 10.00 H new ATOM 0 HA ALA A 108 7.564 7.547 24.436 1.00 10.00 H new ATOM 0 HB1 ALA A 108 7.389 9.987 23.915 1.00 50.00 H new ATOM 0 HB2 ALA A 108 7.105 9.031 22.441 1.00 50.00 H new ATOM 0 HB3 ALA A 108 5.730 9.745 23.318 1.00 50.00 H new ATOM 1562 N ASP A 109 6.854 8.671 26.597 1.00 50.00 N ATOM 1563 CA ASP A 109 6.348 8.995 27.963 1.00 50.00 C ATOM 1564 C ASP A 109 5.322 10.129 27.895 1.00 50.00 C ATOM 1565 O ASP A 109 4.143 9.927 28.109 1.00 50.00 O ATOM 1566 CB ASP A 109 7.581 9.436 28.751 1.00 50.00 C ATOM 1567 CG ASP A 109 7.868 8.422 29.860 1.00 50.00 C ATOM 1568 OD1 ASP A 109 7.381 7.307 29.756 1.00 50.00 O ATOM 1569 OD2 ASP A 109 8.567 8.776 30.794 1.00 50.00 O ATOM 0 H ASP A 109 7.866 8.730 26.483 1.00 50.00 H new ATOM 0 HA ASP A 109 5.850 8.144 28.428 1.00 50.00 H new ATOM 0 HB2 ASP A 109 8.441 9.517 28.086 1.00 50.00 H new ATOM 0 HB3 ASP A 109 7.417 10.424 29.181 1.00 50.00 H new ATOM 1574 N GLU A 110 5.761 11.323 27.601 1.00 10.00 N ATOM 1575 CA GLU A 110 4.808 12.469 27.523 1.00 10.00 C ATOM 1576 C GLU A 110 4.412 12.733 26.066 1.00 10.00 C ATOM 1577 O GLU A 110 5.237 12.711 25.176 1.00 10.00 O ATOM 1578 CB GLU A 110 5.576 13.660 28.098 1.00 10.00 C ATOM 1579 CG GLU A 110 6.613 14.141 27.079 1.00 10.00 C ATOM 1580 CD GLU A 110 7.878 14.594 27.813 1.00 50.00 C ATOM 1581 OE1 GLU A 110 7.754 15.074 28.928 1.00 50.00 O ATOM 1582 OE2 GLU A 110 8.949 14.451 27.247 1.00 50.00 O ATOM 0 H GLU A 110 6.736 11.555 27.412 1.00 10.00 H new ATOM 0 HA GLU A 110 3.885 12.277 28.070 1.00 10.00 H new ATOM 0 HB2 GLU A 110 4.886 14.469 28.340 1.00 10.00 H new ATOM 0 HB3 GLU A 110 6.069 13.374 29.027 1.00 10.00 H new ATOM 0 HG2 GLU A 110 6.852 13.339 26.381 1.00 10.00 H new ATOM 0 HG3 GLU A 110 6.206 14.964 26.491 1.00 10.00 H new ATOM 1589 N VAL A 111 3.155 12.984 25.818 1.00 10.00 N ATOM 1590 CA VAL A 111 2.710 13.250 24.419 1.00 10.00 C ATOM 1591 C VAL A 111 1.610 14.314 24.406 1.00 10.00 C ATOM 1592 O VAL A 111 0.760 14.353 25.273 1.00 10.00 O ATOM 1593 CB VAL A 111 2.168 11.912 23.915 1.00 12.50 C ATOM 1594 CG1 VAL A 111 2.008 11.968 22.394 1.00 12.50 C ATOM 1595 CG2 VAL A 111 3.146 10.794 24.281 1.00 12.50 C ATOM 0 H VAL A 111 2.418 13.016 26.522 1.00 10.00 H new ATOM 0 HA VAL A 111 3.520 13.624 23.793 1.00 10.00 H new ATOM 0 HB VAL A 111 1.201 11.715 24.377 1.00 12.50 H new ATOM 0 HG11 VAL A 111 1.622 11.015 22.033 1.00 12.50 H new ATOM 0 HG12 VAL A 111 1.312 12.765 22.130 1.00 12.50 H new ATOM 0 HG13 VAL A 111 2.976 12.165 21.933 1.00 12.50 H new ATOM 0 HG21 VAL A 111 2.759 9.840 23.922 1.00 12.50 H new ATOM 0 HG22 VAL A 111 4.113 10.991 23.819 1.00 12.50 H new ATOM 0 HG23 VAL A 111 3.263 10.753 25.364 1.00 12.50 H new ATOM 1605 N LYS A 112 1.619 15.178 23.427 1.00 10.00 N ATOM 1606 CA LYS A 112 0.573 16.239 23.359 1.00 10.00 C ATOM 1607 C LYS A 112 -0.334 16.015 22.145 1.00 10.00 C ATOM 1608 O LYS A 112 0.101 15.558 21.107 1.00 10.00 O ATOM 1609 CB LYS A 112 1.345 17.550 23.220 1.00 25.00 C ATOM 1610 CG LYS A 112 2.226 17.756 24.454 1.00 25.00 C ATOM 1611 CD LYS A 112 3.470 18.557 24.066 1.00 25.00 C ATOM 1612 CE LYS A 112 3.355 19.978 24.622 1.00 25.00 C ATOM 1613 NZ LYS A 112 2.678 20.754 23.546 1.00 25.00 N ATOM 0 H LYS A 112 2.305 15.195 22.672 1.00 10.00 H new ATOM 0 HA LYS A 112 -0.072 16.238 24.238 1.00 10.00 H new ATOM 0 HB2 LYS A 112 1.960 17.529 22.320 1.00 25.00 H new ATOM 0 HB3 LYS A 112 0.651 18.384 23.112 1.00 25.00 H new ATOM 0 HG2 LYS A 112 1.668 18.283 25.228 1.00 25.00 H new ATOM 0 HG3 LYS A 112 2.517 16.792 24.871 1.00 25.00 H new ATOM 0 HD2 LYS A 112 4.364 18.073 24.458 1.00 25.00 H new ATOM 0 HD3 LYS A 112 3.573 18.587 22.981 1.00 25.00 H new ATOM 0 HE2 LYS A 112 2.777 19.996 25.546 1.00 25.00 H new ATOM 0 HE3 LYS A 112 4.336 20.393 24.852 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 3.224 21.615 23.343 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 2.615 20.173 22.686 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 1.721 21.016 23.857 1.00 25.00 H new ATOM 1627 N ILE A 113 -1.592 16.336 22.272 1.00 10.00 N ATOM 1628 CA ILE A 113 -2.537 16.147 21.134 1.00 10.00 C ATOM 1629 C ILE A 113 -3.778 17.018 21.330 1.00 10.00 C ATOM 1630 O ILE A 113 -4.142 17.359 22.438 1.00 10.00 O ATOM 1631 CB ILE A 113 -2.913 14.665 21.164 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -3.949 14.378 20.075 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -3.503 14.317 22.534 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -3.755 12.956 19.546 1.00 10.00 C ATOM 0 H ILE A 113 -2.008 16.723 23.119 1.00 10.00 H new ATOM 0 HA ILE A 113 -2.093 16.432 20.180 1.00 10.00 H new ATOM 0 HB ILE A 113 -2.023 14.061 20.986 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -4.956 14.493 20.477 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -3.846 15.097 19.262 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -3.772 13.261 22.557 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -2.765 14.521 23.310 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -4.393 14.921 22.711 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -4.493 12.752 18.770 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -2.753 12.857 19.128 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -3.880 12.244 20.362 1.00 10.00 H new ATOM 1646 N VAL A 114 -4.426 17.382 20.261 1.00 10.00 N ATOM 1647 CA VAL A 114 -5.643 18.232 20.379 1.00 10.00 C ATOM 1648 C VAL A 114 -6.902 17.352 20.362 1.00 10.00 C ATOM 1649 O VAL A 114 -7.077 16.519 19.492 1.00 10.00 O ATOM 1650 CB VAL A 114 -5.571 19.180 19.166 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -6.600 18.791 18.096 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -5.842 20.614 19.630 1.00 50.00 C ATOM 0 H VAL A 114 -4.166 17.128 19.308 1.00 10.00 H new ATOM 0 HA VAL A 114 -5.690 18.794 21.312 1.00 10.00 H new ATOM 0 HB VAL A 114 -4.575 19.104 18.729 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -6.525 19.478 17.253 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -6.404 17.775 17.755 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -7.603 18.844 18.519 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -5.792 21.289 18.775 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -6.834 20.670 20.079 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -5.093 20.906 20.367 1.00 50.00 H new ATOM 1662 N TYR A 115 -7.777 17.536 21.315 1.00 10.00 N ATOM 1663 CA TYR A 115 -9.024 16.717 21.356 1.00 10.00 C ATOM 1664 C TYR A 115 -10.198 17.545 20.800 1.00 10.00 C ATOM 1665 O TYR A 115 -10.196 18.758 20.870 1.00 10.00 O ATOM 1666 CB TYR A 115 -9.196 16.352 22.848 1.00 50.00 C ATOM 1667 CG TYR A 115 -10.539 16.802 23.381 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -10.698 18.113 23.845 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -11.619 15.911 23.415 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -11.936 18.535 24.339 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -12.858 16.333 23.911 1.00 50.00 C ATOM 1672 CZ TYR A 115 -13.017 17.645 24.372 1.00 50.00 C ATOM 1673 OH TYR A 115 -14.238 18.061 24.860 1.00 50.00 O ATOM 0 H TYR A 115 -7.682 18.218 22.067 1.00 10.00 H new ATOM 0 HA TYR A 115 -8.984 15.816 20.744 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -9.097 15.274 22.973 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -8.399 16.815 23.430 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -9.864 18.799 23.821 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -11.496 14.899 23.059 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -12.059 19.547 24.695 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -13.691 15.646 23.938 1.00 50.00 H new ATOM 0 HH TYR A 115 -14.188 18.150 25.835 1.00 50.00 H new ATOM 1683 N ASN A 116 -11.186 16.895 20.236 1.00 10.00 N ATOM 1684 CA ASN A 116 -12.350 17.638 19.658 1.00 10.00 C ATOM 1685 C ASN A 116 -11.937 18.316 18.350 1.00 10.00 C ATOM 1686 O ASN A 116 -12.204 19.481 18.130 1.00 10.00 O ATOM 1687 CB ASN A 116 -12.742 18.688 20.702 1.00 10.00 C ATOM 1688 CG ASN A 116 -14.246 18.605 20.970 1.00 10.00 C ATOM 1689 OD1 ASN A 116 -14.826 19.545 21.665 1.00 10.00 O flip ATOM 1690 ND2 ASN A 116 -14.901 17.675 20.541 1.00 10.00 N flip ATOM 0 H ASN A 116 -11.237 15.880 20.151 1.00 10.00 H new ATOM 0 HA ASN A 116 -13.183 16.972 19.434 1.00 10.00 H new ATOM 0 HB2 ASN A 116 -12.188 18.522 21.626 1.00 10.00 H new ATOM 0 HB3 ASN A 116 -12.480 19.685 20.347 1.00 10.00 H new ATOM 0 HD21 ASN A 116 -14.448 16.940 19.998 1.00 10.00 H new ATOM 0 HD22 ASN A 116 -15.903 17.630 20.724 1.00 10.00 H new ATOM 1697 N ALA A 117 -11.287 17.594 17.480 1.00 10.00 N ATOM 1698 CA ALA A 117 -10.854 18.195 16.186 1.00 10.00 C ATOM 1699 C ALA A 117 -12.069 18.441 15.286 1.00 10.00 C ATOM 1700 O ALA A 117 -11.983 19.119 14.282 1.00 10.00 O ATOM 1701 CB ALA A 117 -9.925 17.155 15.561 1.00 50.00 C ATOM 0 H ALA A 117 -11.037 16.614 17.609 1.00 10.00 H new ATOM 0 HA ALA A 117 -10.359 19.157 16.320 1.00 10.00 H new ATOM 0 HB1 ALA A 117 -9.561 17.522 14.601 1.00 50.00 H new ATOM 0 HB2 ALA A 117 -9.079 16.976 16.225 1.00 50.00 H new ATOM 0 HB3 ALA A 117 -10.471 16.224 15.410 1.00 50.00 H new ATOM 1707 N LYS A 118 -13.200 17.895 15.640 1.00 12.50 N ATOM 1708 CA LYS A 118 -14.419 18.098 14.807 1.00 12.50 C ATOM 1709 C LYS A 118 -14.709 19.593 14.650 1.00 12.50 C ATOM 1710 O LYS A 118 -15.422 20.007 13.757 1.00 12.50 O ATOM 1711 CB LYS A 118 -15.545 17.411 15.580 1.00 12.50 C ATOM 1712 CG LYS A 118 -15.610 17.980 16.998 1.00 12.50 C ATOM 1713 CD LYS A 118 -16.880 18.817 17.152 1.00 12.50 C ATOM 1714 CE LYS A 118 -18.076 17.891 17.380 1.00 50.00 C ATOM 1715 NZ LYS A 118 -19.123 18.762 17.985 1.00 50.00 N ATOM 0 H LYS A 118 -13.333 17.317 16.470 1.00 12.50 H new ATOM 0 HA LYS A 118 -14.306 17.690 13.803 1.00 12.50 H new ATOM 0 HB2 LYS A 118 -16.497 17.565 15.071 1.00 12.50 H new ATOM 0 HB3 LYS A 118 -15.373 16.335 15.616 1.00 12.50 H new ATOM 0 HG2 LYS A 118 -15.605 17.170 17.727 1.00 12.50 H new ATOM 0 HG3 LYS A 118 -14.731 18.593 17.196 1.00 12.50 H new ATOM 0 HD2 LYS A 118 -16.775 19.506 17.990 1.00 12.50 H new ATOM 0 HD3 LYS A 118 -17.040 19.422 16.260 1.00 12.50 H new ATOM 0 HE2 LYS A 118 -18.420 17.451 16.444 1.00 50.00 H new ATOM 0 HE3 LYS A 118 -17.816 17.066 18.043 1.00 50.00 H new ATOM 0 HZ1 LYS A 118 -19.977 18.199 18.172 1.00 50.00 H new ATOM 0 HZ2 LYS A 118 -18.769 19.161 18.878 1.00 50.00 H new ATOM 0 HZ3 LYS A 118 -19.354 19.535 17.328 1.00 50.00 H new ATOM 1726 N HIS A 119 -14.165 20.406 15.513 1.00 50.00 N ATOM 1727 CA HIS A 119 -14.410 21.873 15.412 1.00 50.00 C ATOM 1728 C HIS A 119 -13.690 22.448 14.189 1.00 50.00 C ATOM 1729 O HIS A 119 -14.129 23.413 13.595 1.00 50.00 O ATOM 1730 CB HIS A 119 -13.836 22.460 16.703 1.00 50.00 C ATOM 1731 CG HIS A 119 -14.661 21.999 17.875 1.00 50.00 C ATOM 1732 ND1 HIS A 119 -16.008 22.303 17.992 1.00 50.00 N ATOM 1733 CD2 HIS A 119 -14.346 21.257 18.987 1.00 50.00 C ATOM 1734 CE1 HIS A 119 -16.450 21.751 19.136 1.00 50.00 C ATOM 1735 NE2 HIS A 119 -15.478 21.102 19.782 1.00 50.00 N ATOM 0 H HIS A 119 -13.562 20.118 16.284 1.00 50.00 H new ATOM 0 HA HIS A 119 -15.468 22.109 15.294 1.00 50.00 H new ATOM 0 HB2 HIS A 119 -12.800 22.146 16.828 1.00 50.00 H new ATOM 0 HB3 HIS A 119 -13.835 23.549 16.651 1.00 50.00 H new ATOM 0 HD2 HIS A 119 -13.369 20.855 19.211 1.00 50.00 H new ATOM 0 HE1 HIS A 119 -17.468 21.824 19.489 1.00 50.00 H new ATOM 0 HE2 HIS A 119 -15.550 20.601 20.667 1.00 50.00 H new ATOM 1743 N LEU A 120 -12.590 21.861 13.806 1.00 12.50 N ATOM 1744 CA LEU A 120 -11.846 22.375 12.619 1.00 12.50 C ATOM 1745 C LEU A 120 -12.815 22.626 11.460 1.00 12.50 C ATOM 1746 O LEU A 120 -13.495 21.730 11.002 1.00 12.50 O ATOM 1747 CB LEU A 120 -10.855 21.268 12.260 1.00 12.50 C ATOM 1748 CG LEU A 120 -9.426 21.791 12.423 1.00 12.50 C ATOM 1749 CD1 LEU A 120 -8.434 20.661 12.138 1.00 12.50 C ATOM 1750 CD2 LEU A 120 -9.190 22.938 11.439 1.00 12.50 C ATOM 0 H LEU A 120 -12.174 21.049 14.262 1.00 12.50 H new ATOM 0 HA LEU A 120 -11.342 23.319 12.824 1.00 12.50 H new ATOM 0 HB2 LEU A 120 -11.012 20.402 12.903 1.00 12.50 H new ATOM 0 HB3 LEU A 120 -11.018 20.938 11.234 1.00 12.50 H new ATOM 0 HG LEU A 120 -9.283 22.150 13.442 1.00 12.50 H new ATOM 0 HD11 LEU A 120 -7.416 21.033 12.254 1.00 12.50 H new ATOM 0 HD12 LEU A 120 -8.603 19.843 12.838 1.00 12.50 H new ATOM 0 HD13 LEU A 120 -8.575 20.301 11.119 1.00 12.50 H new ATOM 0 HD21 LEU A 120 -8.173 23.312 11.553 1.00 12.50 H new ATOM 0 HD22 LEU A 120 -9.332 22.578 10.420 1.00 12.50 H new ATOM 0 HD23 LEU A 120 -9.897 23.742 11.641 1.00 12.50 H new