USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 860 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: B 138 GLN :FLIP amide:sc= 0.0331 F(o=-1.3,f=-0.33) USER MOD Set 1.2: B 142 GLN :FLIP amide:sc= -0.358 F(o=-1.1,f=-0.33) USER MOD Set 2.1: A 25 MET CE :methyl 177:sc= -0.125 (180deg=-0.133) USER MOD Set 2.2: B 137 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 38 GLN : amide:sc= 0.0639 X(o=0.0013,f=-0.36) USER MOD Set 3.2: A 42 GLN : amide:sc= -0.0626 K(o=0.0013,f=-0.6) USER MOD Set 4.1: A 37 TYR OH : rot 161:sc= 1.27 USER MOD Set 4.2: B 125 MET CE :methyl 174:sc= -0.399 (180deg=-0.48) USER MOD Single : A 1 GLY N :NH3+ 178:sc= 0 (180deg=-0.00511) USER MOD Single : A 2 SER OG : rot 23:sc= 1.23 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -166:sc= 1.03 (180deg=0.872) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0296 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 176:sc= 0 (180deg=-0.00975) USER MOD Single : A 28 GLN : amide:sc= 0.6 K(o=0.6,f=-0.063) USER MOD Single : A 35 GLN : amide:sc= -0.0284 X(o=-0.028,f=-0.38) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 76:sc= 0.181 USER MOD Single : A 40 LYS NZ :NH3+ 150:sc= 0.0125 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -175:sc= 1.7 (180deg=1.62) USER MOD Single : B 102 SER OG : rot 180:sc= 0 USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 108 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00565) USER MOD Single : B 109 SER OG : rot 180:sc= 0 USER MOD Single : B 111 THR OG1 : rot 180:sc= 0.155 USER MOD Single : B 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 117 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0666) USER MOD Single : B 126 MET CE :methyl -132:sc= 0 (180deg=-0.114) USER MOD Single : B 128 GLN : amide:sc= -1.16 X(o=-1.2,f=-1.5) USER MOD Single : B 135 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.12) USER MOD Single : B 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 139 SER OG : rot 78:sc= 1.09 USER MOD Single : B 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 151 LYS NZ :NH3+ -107:sc= -1.14 (180deg=-4.12!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.298 -2.652 14.391 1.00 0.00 N ATOM 2 CA GLY A 1 -17.524 -2.472 15.172 1.00 0.00 C ATOM 3 C GLY A 1 -18.680 -1.923 14.348 1.00 0.00 C ATOM 4 O GLY A 1 -19.397 -1.062 14.859 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.538 -2.996 15.012 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.467 -3.345 13.635 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.017 -1.743 13.971 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.816 -3.429 15.605 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.323 -1.795 16.002 1.00 0.00 H new ATOM 8 N SER A 2 -18.843 -2.334 13.084 1.00 0.00 N ATOM 9 CA SER A 2 -19.884 -1.956 12.134 1.00 0.00 C ATOM 10 C SER A 2 -19.606 -2.738 10.849 1.00 0.00 C ATOM 11 O SER A 2 -18.478 -2.736 10.353 1.00 0.00 O ATOM 12 CB SER A 2 -19.934 -0.447 11.848 1.00 0.00 C ATOM 13 OG SER A 2 -20.509 0.265 12.928 1.00 0.00 O ATOM 0 H SER A 2 -18.189 -2.998 12.669 1.00 0.00 H new ATOM 0 HA SER A 2 -20.859 -2.195 12.558 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.926 -0.077 11.662 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.512 -0.266 10.942 1.00 0.00 H new ATOM 0 HG SER A 2 -20.420 -0.260 13.750 1.00 0.00 H new ATOM 19 N ASP A 3 -20.618 -3.449 10.370 1.00 0.00 N ATOM 20 CA ASP A 3 -20.610 -4.282 9.173 1.00 0.00 C ATOM 21 C ASP A 3 -20.853 -3.468 7.897 1.00 0.00 C ATOM 22 O ASP A 3 -21.081 -2.256 7.951 1.00 0.00 O ATOM 23 CB ASP A 3 -21.701 -5.351 9.341 1.00 0.00 C ATOM 24 CG ASP A 3 -23.086 -4.829 8.962 1.00 0.00 C ATOM 25 OD1 ASP A 3 -23.456 -4.953 7.777 1.00 0.00 O ATOM 26 OD2 ASP A 3 -23.760 -4.267 9.856 1.00 0.00 O ATOM 0 H ASP A 3 -21.525 -3.461 10.837 1.00 0.00 H new ATOM 0 HA ASP A 3 -19.627 -4.739 9.063 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -21.459 -6.215 8.722 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -21.715 -5.694 10.376 1.00 0.00 H new ATOM 31 N TYR A 4 -20.788 -4.139 6.742 1.00 0.00 N ATOM 32 CA TYR A 4 -21.016 -3.572 5.415 1.00 0.00 C ATOM 33 C TYR A 4 -21.928 -4.497 4.583 1.00 0.00 C ATOM 34 O TYR A 4 -22.097 -4.311 3.381 1.00 0.00 O ATOM 35 CB TYR A 4 -19.674 -3.282 4.732 1.00 0.00 C ATOM 36 CG TYR A 4 -18.715 -2.446 5.568 1.00 0.00 C ATOM 37 CD1 TYR A 4 -18.910 -1.058 5.757 1.00 0.00 C ATOM 38 CD2 TYR A 4 -17.669 -3.100 6.245 1.00 0.00 C ATOM 39 CE1 TYR A 4 -18.071 -0.346 6.636 1.00 0.00 C ATOM 40 CE2 TYR A 4 -16.862 -2.400 7.154 1.00 0.00 C ATOM 41 CZ TYR A 4 -17.074 -1.022 7.374 1.00 0.00 C ATOM 42 OH TYR A 4 -16.357 -0.377 8.338 1.00 0.00 O ATOM 0 H TYR A 4 -20.565 -5.134 6.709 1.00 0.00 H new ATOM 0 HA TYR A 4 -21.540 -2.621 5.506 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -19.193 -4.228 4.486 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -19.862 -2.766 3.791 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -19.700 -0.545 5.229 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -17.486 -4.149 6.063 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -18.190 0.722 6.746 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -16.077 -2.916 7.687 1.00 0.00 H new ATOM 0 HH TYR A 4 -15.717 -1.000 8.741 1.00 0.00 H new ATOM 52 N GLU A 5 -22.453 -5.563 5.174 1.00 0.00 N ATOM 53 CA GLU A 5 -23.347 -6.525 4.530 1.00 0.00 C ATOM 54 C GLU A 5 -24.779 -5.975 4.525 1.00 0.00 C ATOM 55 O GLU A 5 -25.530 -6.226 3.589 1.00 0.00 O ATOM 56 CB GLU A 5 -23.188 -7.914 5.178 1.00 0.00 C ATOM 57 CG GLU A 5 -23.138 -7.942 6.719 1.00 0.00 C ATOM 58 CD GLU A 5 -22.474 -9.189 7.297 1.00 0.00 C ATOM 59 OE1 GLU A 5 -21.293 -9.461 6.949 1.00 0.00 O ATOM 60 OE2 GLU A 5 -23.088 -9.876 8.143 1.00 0.00 O ATOM 0 H GLU A 5 -22.263 -5.792 6.150 1.00 0.00 H new ATOM 0 HA GLU A 5 -23.079 -6.665 3.483 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -24.016 -8.542 4.850 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -22.273 -8.368 4.797 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -22.601 -7.061 7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -24.154 -7.872 7.106 1.00 0.00 H new ATOM 67 N PHE A 6 -25.142 -5.152 5.511 1.00 0.00 N ATOM 68 CA PHE A 6 -26.458 -4.521 5.621 1.00 0.00 C ATOM 69 C PHE A 6 -26.628 -3.413 4.570 1.00 0.00 C ATOM 70 O PHE A 6 -27.727 -2.880 4.403 1.00 0.00 O ATOM 71 CB PHE A 6 -26.664 -3.964 7.038 1.00 0.00 C ATOM 72 CG PHE A 6 -27.279 -4.971 7.991 1.00 0.00 C ATOM 73 CD1 PHE A 6 -26.559 -6.112 8.394 1.00 0.00 C ATOM 74 CD2 PHE A 6 -28.593 -4.776 8.459 1.00 0.00 C ATOM 75 CE1 PHE A 6 -27.146 -7.050 9.263 1.00 0.00 C ATOM 76 CE2 PHE A 6 -29.182 -5.718 9.318 1.00 0.00 C ATOM 77 CZ PHE A 6 -28.463 -6.857 9.715 1.00 0.00 C ATOM 0 H PHE A 6 -24.513 -4.900 6.274 1.00 0.00 H new ATOM 0 HA PHE A 6 -27.218 -5.279 5.432 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -25.704 -3.636 7.436 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -27.305 -3.084 6.986 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -25.552 -6.268 8.035 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -29.149 -3.901 8.157 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -26.586 -7.917 9.582 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -30.190 -5.566 9.674 1.00 0.00 H new ATOM 0 HZ PHE A 6 -28.922 -7.585 10.368 1.00 0.00 H new ATOM 87 N LEU A 7 -25.563 -3.077 3.828 1.00 0.00 N ATOM 88 CA LEU A 7 -25.582 -2.052 2.786 1.00 0.00 C ATOM 89 C LEU A 7 -26.635 -2.366 1.729 1.00 0.00 C ATOM 90 O LEU A 7 -27.060 -1.454 1.031 1.00 0.00 O ATOM 91 CB LEU A 7 -24.228 -1.921 2.077 1.00 0.00 C ATOM 92 CG LEU A 7 -23.084 -1.342 2.918 1.00 0.00 C ATOM 93 CD1 LEU A 7 -21.807 -1.414 2.074 1.00 0.00 C ATOM 94 CD2 LEU A 7 -23.353 0.103 3.346 1.00 0.00 C ATOM 0 H LEU A 7 -24.651 -3.520 3.941 1.00 0.00 H new ATOM 0 HA LEU A 7 -25.816 -1.115 3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -23.929 -2.907 1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -24.360 -1.292 1.197 1.00 0.00 H new ATOM 0 HG LEU A 7 -22.985 -1.923 3.835 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -20.971 -1.009 2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -21.600 -2.452 1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -21.940 -0.832 1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -22.515 0.469 3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -23.472 0.728 2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -24.264 0.142 3.943 1.00 0.00 H new ATOM 106 N LYS A 8 -27.074 -3.626 1.620 1.00 0.00 N ATOM 107 CA LYS A 8 -28.096 -4.041 0.661 1.00 0.00 C ATOM 108 C LYS A 8 -29.430 -3.313 0.867 1.00 0.00 C ATOM 109 O LYS A 8 -30.317 -3.410 0.023 1.00 0.00 O ATOM 110 CB LYS A 8 -28.280 -5.564 0.727 1.00 0.00 C ATOM 111 CG LYS A 8 -27.016 -6.366 0.377 1.00 0.00 C ATOM 112 CD LYS A 8 -26.332 -5.874 -0.907 1.00 0.00 C ATOM 113 CE LYS A 8 -25.353 -6.863 -1.541 1.00 0.00 C ATOM 114 NZ LYS A 8 -24.386 -7.452 -0.600 1.00 0.00 N ATOM 0 H LYS A 8 -26.725 -4.389 2.200 1.00 0.00 H new ATOM 0 HA LYS A 8 -27.749 -3.763 -0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -28.603 -5.837 1.732 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -29.080 -5.852 0.045 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -26.311 -6.302 1.206 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -27.279 -7.418 0.262 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -27.102 -5.629 -1.639 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -25.798 -4.950 -0.684 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -25.921 -7.667 -2.010 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -24.805 -6.355 -2.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -23.622 -7.916 -1.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -23.985 -6.703 -0.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -24.867 -8.154 -0.002 1.00 0.00 H new ATOM 128 N SER A 9 -29.600 -2.609 1.984 1.00 0.00 N ATOM 129 CA SER A 9 -30.780 -1.840 2.336 1.00 0.00 C ATOM 130 C SER A 9 -30.449 -0.354 2.572 1.00 0.00 C ATOM 131 O SER A 9 -31.308 0.380 3.058 1.00 0.00 O ATOM 132 CB SER A 9 -31.406 -2.504 3.562 1.00 0.00 C ATOM 133 OG SER A 9 -31.817 -3.821 3.232 1.00 0.00 O ATOM 0 H SER A 9 -28.877 -2.561 2.702 1.00 0.00 H new ATOM 0 HA SER A 9 -31.494 -1.840 1.512 1.00 0.00 H new ATOM 0 HB2 SER A 9 -30.687 -2.531 4.381 1.00 0.00 H new ATOM 0 HB3 SER A 9 -32.260 -1.921 3.907 1.00 0.00 H new ATOM 0 HG SER A 9 -32.217 -4.246 4.019 1.00 0.00 H new ATOM 139 N TRP A 10 -29.212 0.090 2.313 1.00 0.00 N ATOM 140 CA TRP A 10 -28.809 1.481 2.503 1.00 0.00 C ATOM 141 C TRP A 10 -29.264 2.331 1.320 1.00 0.00 C ATOM 142 O TRP A 10 -29.632 1.826 0.254 1.00 0.00 O ATOM 143 CB TRP A 10 -27.272 1.579 2.631 1.00 0.00 C ATOM 144 CG TRP A 10 -26.705 1.594 4.020 1.00 0.00 C ATOM 145 CD1 TRP A 10 -25.626 2.324 4.382 1.00 0.00 C ATOM 146 CD2 TRP A 10 -27.169 0.936 5.247 1.00 0.00 C ATOM 147 NE1 TRP A 10 -25.405 2.185 5.733 1.00 0.00 N ATOM 148 CE2 TRP A 10 -26.326 1.347 6.321 1.00 0.00 C ATOM 149 CE3 TRP A 10 -28.223 0.058 5.585 1.00 0.00 C ATOM 150 CZ2 TRP A 10 -26.540 0.945 7.649 1.00 0.00 C ATOM 151 CZ3 TRP A 10 -28.444 -0.363 6.909 1.00 0.00 C ATOM 152 CH2 TRP A 10 -27.611 0.085 7.945 1.00 0.00 C ATOM 0 H TRP A 10 -28.464 -0.510 1.965 1.00 0.00 H new ATOM 0 HA TRP A 10 -29.276 1.850 3.416 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -26.833 0.738 2.095 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -26.947 2.486 2.122 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -25.028 2.925 3.713 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -24.649 2.647 6.238 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -28.878 -0.300 4.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -25.887 1.294 8.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -29.260 -1.035 7.129 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -27.792 -0.229 8.963 1.00 0.00 H new ATOM 163 N THR A 11 -29.269 3.653 1.504 1.00 0.00 N ATOM 164 CA THR A 11 -29.633 4.530 0.409 1.00 0.00 C ATOM 165 C THR A 11 -28.462 4.476 -0.579 1.00 0.00 C ATOM 166 O THR A 11 -27.313 4.213 -0.204 1.00 0.00 O ATOM 167 CB THR A 11 -29.883 5.961 0.926 1.00 0.00 C ATOM 168 OG1 THR A 11 -28.940 6.326 1.912 1.00 0.00 O ATOM 169 CG2 THR A 11 -31.281 6.086 1.527 1.00 0.00 C ATOM 0 H THR A 11 -29.031 4.122 2.378 1.00 0.00 H new ATOM 0 HA THR A 11 -30.558 4.218 -0.075 1.00 0.00 H new ATOM 0 HB THR A 11 -29.786 6.627 0.069 1.00 0.00 H new ATOM 0 HG1 THR A 11 -29.124 7.238 2.219 1.00 0.00 H new ATOM 0 HG21 THR A 11 -31.434 7.104 1.885 1.00 0.00 H new ATOM 0 HG22 THR A 11 -32.026 5.853 0.766 1.00 0.00 H new ATOM 0 HG23 THR A 11 -31.383 5.390 2.360 1.00 0.00 H new ATOM 177 N VAL A 12 -28.745 4.760 -1.851 1.00 0.00 N ATOM 178 CA VAL A 12 -27.711 4.761 -2.877 1.00 0.00 C ATOM 179 C VAL A 12 -26.693 5.853 -2.545 1.00 0.00 C ATOM 180 O VAL A 12 -25.505 5.658 -2.754 1.00 0.00 O ATOM 181 CB VAL A 12 -28.334 4.902 -4.286 1.00 0.00 C ATOM 182 CG1 VAL A 12 -29.232 6.139 -4.459 1.00 0.00 C ATOM 183 CG2 VAL A 12 -27.274 4.867 -5.387 1.00 0.00 C ATOM 0 H VAL A 12 -29.679 4.991 -2.191 1.00 0.00 H new ATOM 0 HA VAL A 12 -27.182 3.808 -2.890 1.00 0.00 H new ATOM 0 HB VAL A 12 -28.981 4.030 -4.385 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -29.628 6.162 -5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -30.057 6.092 -3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -28.648 7.041 -4.277 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -27.756 4.969 -6.359 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -26.572 5.688 -5.242 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -26.738 3.919 -5.346 1.00 0.00 H new ATOM 193 N GLU A 13 -27.133 6.972 -1.965 1.00 0.00 N ATOM 194 CA GLU A 13 -26.236 8.061 -1.628 1.00 0.00 C ATOM 195 C GLU A 13 -25.292 7.657 -0.499 1.00 0.00 C ATOM 196 O GLU A 13 -24.085 7.809 -0.638 1.00 0.00 O ATOM 197 CB GLU A 13 -27.038 9.314 -1.263 1.00 0.00 C ATOM 198 CG GLU A 13 -27.959 9.731 -2.422 1.00 0.00 C ATOM 199 CD GLU A 13 -28.560 11.127 -2.265 1.00 0.00 C ATOM 200 OE1 GLU A 13 -28.356 11.777 -1.213 1.00 0.00 O ATOM 201 OE2 GLU A 13 -29.187 11.589 -3.238 1.00 0.00 O ATOM 0 H GLU A 13 -28.109 7.140 -1.722 1.00 0.00 H new ATOM 0 HA GLU A 13 -25.624 8.292 -2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -27.634 9.123 -0.370 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -26.357 10.130 -1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -27.394 9.692 -3.354 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -28.768 9.006 -2.509 1.00 0.00 H new ATOM 208 N ASP A 14 -25.800 7.090 0.594 1.00 0.00 N ATOM 209 CA ASP A 14 -24.957 6.703 1.724 1.00 0.00 C ATOM 210 C ASP A 14 -23.903 5.679 1.329 1.00 0.00 C ATOM 211 O ASP A 14 -22.756 5.787 1.766 1.00 0.00 O ATOM 212 CB ASP A 14 -25.809 6.142 2.870 1.00 0.00 C ATOM 213 CG ASP A 14 -26.516 7.214 3.697 1.00 0.00 C ATOM 214 OD1 ASP A 14 -26.394 8.426 3.418 1.00 0.00 O ATOM 215 OD2 ASP A 14 -27.237 6.835 4.654 1.00 0.00 O ATOM 0 H ASP A 14 -26.792 6.888 0.721 1.00 0.00 H new ATOM 0 HA ASP A 14 -24.445 7.606 2.057 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -26.556 5.464 2.456 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -25.172 5.551 3.528 1.00 0.00 H new ATOM 220 N LEU A 15 -24.271 4.671 0.531 1.00 0.00 N ATOM 221 CA LEU A 15 -23.303 3.662 0.112 1.00 0.00 C ATOM 222 C LEU A 15 -22.303 4.297 -0.870 1.00 0.00 C ATOM 223 O LEU A 15 -21.097 4.078 -0.771 1.00 0.00 O ATOM 224 CB LEU A 15 -24.020 2.387 -0.389 1.00 0.00 C ATOM 225 CG LEU A 15 -24.473 2.435 -1.856 1.00 0.00 C ATOM 226 CD1 LEU A 15 -23.318 2.110 -2.804 1.00 0.00 C ATOM 227 CD2 LEU A 15 -25.637 1.491 -2.149 1.00 0.00 C ATOM 0 H LEU A 15 -25.215 4.536 0.170 1.00 0.00 H new ATOM 0 HA LEU A 15 -22.707 3.313 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -23.351 1.536 -0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -24.892 2.207 0.240 1.00 0.00 H new ATOM 0 HG LEU A 15 -24.814 3.456 -2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -23.670 2.152 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -22.517 2.836 -2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -22.942 1.110 -2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -25.913 1.569 -3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -25.339 0.466 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -26.491 1.763 -1.529 1.00 0.00 H new ATOM 239 N GLN A 16 -22.770 5.127 -1.805 1.00 0.00 N ATOM 240 CA GLN A 16 -21.924 5.802 -2.793 1.00 0.00 C ATOM 241 C GLN A 16 -20.887 6.671 -2.071 1.00 0.00 C ATOM 242 O GLN A 16 -19.716 6.713 -2.461 1.00 0.00 O ATOM 243 CB GLN A 16 -22.859 6.593 -3.710 1.00 0.00 C ATOM 244 CG GLN A 16 -22.203 7.413 -4.815 1.00 0.00 C ATOM 245 CD GLN A 16 -23.266 7.757 -5.849 1.00 0.00 C ATOM 246 OE1 GLN A 16 -23.910 8.800 -5.765 1.00 0.00 O ATOM 247 NE2 GLN A 16 -23.523 6.862 -6.792 1.00 0.00 N ATOM 0 H GLN A 16 -23.760 5.353 -1.899 1.00 0.00 H new ATOM 0 HA GLN A 16 -21.351 5.105 -3.404 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -23.554 5.892 -4.173 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -23.451 7.268 -3.092 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -21.765 8.322 -4.404 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -21.393 6.849 -5.277 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -22.975 6.003 -6.843 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -24.268 7.032 -7.467 1.00 0.00 H new ATOM 256 N LYS A 17 -21.288 7.318 -0.977 1.00 0.00 N ATOM 257 CA LYS A 17 -20.405 8.156 -0.179 1.00 0.00 C ATOM 258 C LYS A 17 -19.288 7.306 0.430 1.00 0.00 C ATOM 259 O LYS A 17 -18.227 7.863 0.724 1.00 0.00 O ATOM 260 CB LYS A 17 -21.209 8.992 0.826 1.00 0.00 C ATOM 261 CG LYS A 17 -21.613 10.398 0.325 1.00 0.00 C ATOM 262 CD LYS A 17 -22.202 10.450 -1.099 1.00 0.00 C ATOM 263 CE LYS A 17 -23.341 11.461 -1.263 1.00 0.00 C ATOM 264 NZ LYS A 17 -22.887 12.851 -1.462 1.00 0.00 N ATOM 0 H LYS A 17 -22.243 7.272 -0.620 1.00 0.00 H new ATOM 0 HA LYS A 17 -19.904 8.890 -0.810 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -22.112 8.443 1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -20.622 9.102 1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -22.344 10.815 1.017 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -20.735 11.044 0.360 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -21.406 10.697 -1.802 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -22.568 9.459 -1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -23.956 11.165 -2.113 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -23.978 11.421 -0.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -23.713 13.475 -1.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -22.325 13.153 -0.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -22.303 12.906 -2.321 1.00 0.00 H new ATOM 278 N ARG A 18 -19.492 6.005 0.695 1.00 0.00 N ATOM 279 CA ARG A 18 -18.441 5.141 1.198 1.00 0.00 C ATOM 280 C ARG A 18 -17.533 4.790 0.015 1.00 0.00 C ATOM 281 O ARG A 18 -16.326 4.769 0.235 1.00 0.00 O ATOM 282 CB ARG A 18 -19.007 3.848 1.801 1.00 0.00 C ATOM 283 CG ARG A 18 -19.497 3.890 3.255 1.00 0.00 C ATOM 284 CD ARG A 18 -18.366 3.638 4.251 1.00 0.00 C ATOM 285 NE ARG A 18 -17.607 4.850 4.580 1.00 0.00 N ATOM 286 CZ ARG A 18 -16.611 4.959 5.463 1.00 0.00 C ATOM 287 NH1 ARG A 18 -16.070 3.883 6.029 1.00 0.00 N ATOM 288 NH2 ARG A 18 -16.161 6.170 5.761 1.00 0.00 N ATOM 0 H ARG A 18 -20.388 5.536 0.564 1.00 0.00 H new ATOM 0 HA ARG A 18 -17.896 5.659 1.988 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -19.839 3.524 1.176 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -18.237 3.080 1.729 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -19.947 4.862 3.457 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -20.277 3.142 3.396 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -18.783 3.218 5.166 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -17.687 2.892 3.839 1.00 0.00 H new ATOM 0 HE ARG A 18 -17.868 5.700 4.081 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.415 2.953 5.791 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.310 3.988 6.701 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.575 6.991 5.319 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.401 6.281 6.432 1.00 0.00 H new ATOM 302 N LEU A 19 -18.025 4.524 -1.217 1.00 0.00 N ATOM 303 CA LEU A 19 -17.156 4.181 -2.354 1.00 0.00 C ATOM 304 C LEU A 19 -16.144 5.292 -2.587 1.00 0.00 C ATOM 305 O LEU A 19 -14.938 5.039 -2.573 1.00 0.00 O ATOM 306 CB LEU A 19 -17.957 3.915 -3.658 1.00 0.00 C ATOM 307 CG LEU A 19 -17.096 3.597 -4.920 1.00 0.00 C ATOM 308 CD1 LEU A 19 -17.989 3.149 -6.083 1.00 0.00 C ATOM 309 CD2 LEU A 19 -16.248 4.747 -5.489 1.00 0.00 C ATOM 0 H LEU A 19 -19.019 4.542 -1.444 1.00 0.00 H new ATOM 0 HA LEU A 19 -16.641 3.255 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -18.636 3.081 -3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -18.573 4.789 -3.870 1.00 0.00 H new ATOM 0 HG LEU A 19 -16.418 2.829 -4.548 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -17.371 2.932 -6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -18.538 2.253 -5.795 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -18.694 3.944 -6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -15.698 4.396 -6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -16.900 5.572 -5.777 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -15.544 5.089 -4.731 1.00 0.00 H new ATOM 321 N LEU A 20 -16.606 6.537 -2.706 1.00 0.00 N ATOM 322 CA LEU A 20 -15.689 7.648 -2.949 1.00 0.00 C ATOM 323 C LEU A 20 -14.698 7.840 -1.800 1.00 0.00 C ATOM 324 O LEU A 20 -13.695 8.509 -2.025 1.00 0.00 O ATOM 325 CB LEU A 20 -16.451 8.940 -3.265 1.00 0.00 C ATOM 326 CG LEU A 20 -17.093 9.543 -2.011 1.00 0.00 C ATOM 327 CD1 LEU A 20 -16.200 10.519 -1.236 1.00 0.00 C ATOM 328 CD2 LEU A 20 -18.390 10.258 -2.407 1.00 0.00 C ATOM 0 H LEU A 20 -17.590 6.798 -2.640 1.00 0.00 H new ATOM 0 HA LEU A 20 -15.099 7.391 -3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -15.769 9.665 -3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.224 8.734 -4.006 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.276 8.706 -1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -16.740 10.893 -0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.297 10.004 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -15.928 11.354 -1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -18.853 10.690 -1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -18.165 11.050 -3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -19.075 9.543 -2.862 1.00 0.00 H new ATOM 340 N ALA A 21 -14.983 7.334 -0.592 1.00 0.00 N ATOM 341 CA ALA A 21 -14.105 7.422 0.570 1.00 0.00 C ATOM 342 C ALA A 21 -13.119 6.246 0.530 1.00 0.00 C ATOM 343 O ALA A 21 -11.957 6.390 0.899 1.00 0.00 O ATOM 344 CB ALA A 21 -14.919 7.424 1.868 1.00 0.00 C ATOM 0 H ALA A 21 -15.854 6.841 -0.397 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.548 8.358 0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.244 7.490 2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.594 8.280 1.873 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -15.499 6.504 1.935 1.00 0.00 H new ATOM 350 N LEU A 22 -13.569 5.078 0.056 1.00 0.00 N ATOM 351 CA LEU A 22 -12.779 3.862 -0.086 1.00 0.00 C ATOM 352 C LEU A 22 -11.643 4.116 -1.072 1.00 0.00 C ATOM 353 O LEU A 22 -10.599 3.471 -0.957 1.00 0.00 O ATOM 354 CB LEU A 22 -13.642 2.690 -0.623 1.00 0.00 C ATOM 355 CG LEU A 22 -13.894 1.515 0.328 1.00 0.00 C ATOM 356 CD1 LEU A 22 -12.586 0.852 0.758 1.00 0.00 C ATOM 357 CD2 LEU A 22 -14.722 1.945 1.538 1.00 0.00 C ATOM 0 H LEU A 22 -14.534 4.956 -0.250 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.391 3.592 0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -14.608 3.093 -0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.163 2.301 -1.521 1.00 0.00 H new ATOM 0 HG LEU A 22 -14.473 0.772 -0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -12.803 0.023 1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -12.062 0.478 -0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.959 1.582 1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -14.883 1.088 2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -14.190 2.724 2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -15.685 2.330 1.202 1.00 0.00 H new ATOM 369 N ASP A 23 -11.851 5.021 -2.041 1.00 0.00 N ATOM 370 CA ASP A 23 -10.806 5.323 -3.022 1.00 0.00 C ATOM 371 C ASP A 23 -9.583 5.977 -2.352 1.00 0.00 C ATOM 372 O ASP A 23 -8.522 5.351 -2.350 1.00 0.00 O ATOM 373 CB ASP A 23 -11.356 6.134 -4.214 1.00 0.00 C ATOM 374 CG ASP A 23 -11.998 5.253 -5.287 1.00 0.00 C ATOM 375 OD1 ASP A 23 -11.564 4.096 -5.490 1.00 0.00 O ATOM 376 OD2 ASP A 23 -12.986 5.688 -5.922 1.00 0.00 O ATOM 0 H ASP A 23 -12.717 5.546 -2.163 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.457 4.380 -3.443 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.093 6.850 -3.851 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.545 6.709 -4.661 1.00 0.00 H new ATOM 381 N PRO A 24 -9.690 7.169 -1.729 1.00 0.00 N ATOM 382 CA PRO A 24 -8.567 7.829 -1.080 1.00 0.00 C ATOM 383 C PRO A 24 -8.049 7.053 0.134 1.00 0.00 C ATOM 384 O PRO A 24 -6.907 7.269 0.538 1.00 0.00 O ATOM 385 CB PRO A 24 -9.057 9.231 -0.712 1.00 0.00 C ATOM 386 CG PRO A 24 -10.558 9.050 -0.548 1.00 0.00 C ATOM 387 CD PRO A 24 -10.855 8.022 -1.636 1.00 0.00 C ATOM 0 HA PRO A 24 -7.708 7.879 -1.749 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.593 9.590 0.207 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.823 9.956 -1.492 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.822 8.686 0.445 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.104 9.981 -0.702 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.742 7.440 -1.387 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.053 8.513 -2.589 1.00 0.00 H new ATOM 395 N MET A 25 -8.856 6.171 0.735 1.00 0.00 N ATOM 396 CA MET A 25 -8.446 5.371 1.884 1.00 0.00 C ATOM 397 C MET A 25 -7.247 4.510 1.489 1.00 0.00 C ATOM 398 O MET A 25 -6.239 4.493 2.189 1.00 0.00 O ATOM 399 CB MET A 25 -9.602 4.475 2.354 1.00 0.00 C ATOM 400 CG MET A 25 -10.594 5.180 3.284 1.00 0.00 C ATOM 401 SD MET A 25 -10.389 4.806 5.047 1.00 0.00 S ATOM 402 CE MET A 25 -8.715 5.440 5.342 1.00 0.00 C ATOM 0 H MET A 25 -9.814 5.995 0.433 1.00 0.00 H new ATOM 0 HA MET A 25 -8.170 6.034 2.704 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.139 4.103 1.481 1.00 0.00 H new ATOM 0 HB3 MET A 25 -9.190 3.607 2.869 1.00 0.00 H new ATOM 0 HG2 MET A 25 -10.499 6.257 3.143 1.00 0.00 H new ATOM 0 HG3 MET A 25 -11.606 4.907 2.985 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.465 5.330 6.397 1.00 0.00 H new ATOM 0 HE2 MET A 25 -8.002 4.878 4.740 1.00 0.00 H new ATOM 0 HE3 MET A 25 -8.671 6.494 5.066 1.00 0.00 H new ATOM 412 N MET A 26 -7.387 3.738 0.409 1.00 0.00 N ATOM 413 CA MET A 26 -6.322 2.877 -0.087 1.00 0.00 C ATOM 414 C MET A 26 -5.254 3.705 -0.787 1.00 0.00 C ATOM 415 O MET A 26 -4.080 3.403 -0.630 1.00 0.00 O ATOM 416 CB MET A 26 -6.941 1.801 -0.984 1.00 0.00 C ATOM 417 CG MET A 26 -6.006 0.949 -1.845 1.00 0.00 C ATOM 418 SD MET A 26 -6.902 -0.264 -2.859 1.00 0.00 S ATOM 419 CE MET A 26 -7.396 0.821 -4.218 1.00 0.00 C ATOM 0 H MET A 26 -8.244 3.695 -0.143 1.00 0.00 H new ATOM 0 HA MET A 26 -5.816 2.372 0.736 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.514 1.126 -0.347 1.00 0.00 H new ATOM 0 HB3 MET A 26 -7.651 2.291 -1.650 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.423 1.601 -2.495 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.299 0.427 -1.200 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.903 0.236 -4.985 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.072 1.590 -3.843 1.00 0.00 H new ATOM 0 HE3 MET A 26 -6.512 1.293 -4.647 1.00 0.00 H new ATOM 429 N GLU A 27 -5.631 4.741 -1.539 1.00 0.00 N ATOM 430 CA GLU A 27 -4.662 5.565 -2.251 1.00 0.00 C ATOM 431 C GLU A 27 -3.612 6.161 -1.314 1.00 0.00 C ATOM 432 O GLU A 27 -2.425 5.967 -1.582 1.00 0.00 O ATOM 433 CB GLU A 27 -5.399 6.659 -3.017 1.00 0.00 C ATOM 434 CG GLU A 27 -4.454 7.536 -3.840 1.00 0.00 C ATOM 435 CD GLU A 27 -5.262 8.549 -4.634 1.00 0.00 C ATOM 436 OE1 GLU A 27 -5.850 9.471 -4.028 1.00 0.00 O ATOM 437 OE2 GLU A 27 -5.345 8.394 -5.878 1.00 0.00 O ATOM 0 H GLU A 27 -6.602 5.026 -1.668 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.122 4.930 -2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.134 6.202 -3.679 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.949 7.284 -2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.753 8.050 -3.182 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.863 6.917 -4.515 1.00 0.00 H new ATOM 444 N GLN A 28 -4.041 6.822 -0.229 1.00 0.00 N ATOM 445 CA GLN A 28 -3.150 7.439 0.747 1.00 0.00 C ATOM 446 C GLN A 28 -2.234 6.382 1.342 1.00 0.00 C ATOM 447 O GLN A 28 -1.023 6.563 1.397 1.00 0.00 O ATOM 448 CB GLN A 28 -3.964 8.130 1.859 1.00 0.00 C ATOM 449 CG GLN A 28 -3.155 8.538 3.111 1.00 0.00 C ATOM 450 CD GLN A 28 -1.955 9.445 2.820 1.00 0.00 C ATOM 451 OE1 GLN A 28 -2.032 10.352 2.001 1.00 0.00 O ATOM 452 NE2 GLN A 28 -0.843 9.306 3.529 1.00 0.00 N ATOM 0 H GLN A 28 -5.030 6.941 -0.008 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.545 8.195 0.247 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.433 9.022 1.443 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.768 7.461 2.168 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.820 9.048 3.808 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.801 7.636 3.610 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.766 8.555 4.215 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.065 9.950 3.389 1.00 0.00 H new ATOM 461 N GLU A 29 -2.824 5.283 1.805 1.00 0.00 N ATOM 462 CA GLU A 29 -2.079 4.205 2.421 1.00 0.00 C ATOM 463 C GLU A 29 -1.021 3.638 1.469 1.00 0.00 C ATOM 464 O GLU A 29 0.078 3.330 1.923 1.00 0.00 O ATOM 465 CB GLU A 29 -3.064 3.148 2.937 1.00 0.00 C ATOM 466 CG GLU A 29 -3.910 3.647 4.115 1.00 0.00 C ATOM 467 CD GLU A 29 -3.163 3.497 5.438 1.00 0.00 C ATOM 468 OE1 GLU A 29 -2.112 4.144 5.627 1.00 0.00 O ATOM 469 OE2 GLU A 29 -3.670 2.740 6.302 1.00 0.00 O ATOM 0 H GLU A 29 -3.830 5.121 1.761 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.518 4.583 3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.724 2.846 2.124 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.510 2.261 3.244 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.172 4.694 3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.844 3.087 4.157 1.00 0.00 H new ATOM 476 N ILE A 30 -1.315 3.513 0.169 1.00 0.00 N ATOM 477 CA ILE A 30 -0.371 2.997 -0.803 1.00 0.00 C ATOM 478 C ILE A 30 0.713 4.037 -1.035 1.00 0.00 C ATOM 479 O ILE A 30 1.876 3.691 -0.869 1.00 0.00 O ATOM 480 CB ILE A 30 -1.106 2.629 -2.137 1.00 0.00 C ATOM 481 CG1 ILE A 30 -1.539 1.152 -2.224 1.00 0.00 C ATOM 482 CG2 ILE A 30 -0.261 2.838 -3.416 1.00 0.00 C ATOM 483 CD1 ILE A 30 -2.439 0.630 -1.126 1.00 0.00 C ATOM 0 H ILE A 30 -2.218 3.770 -0.229 1.00 0.00 H new ATOM 0 HA ILE A 30 0.090 2.085 -0.425 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.956 3.310 -2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.048 1.005 -3.177 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.639 0.537 -2.245 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.849 2.558 -4.290 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.029 3.886 -3.494 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.634 2.217 -3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.666 -0.420 -1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.935 0.729 -0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.365 1.204 -1.111 1.00 0.00 H new ATOM 495 N GLU A 31 0.386 5.283 -1.399 1.00 0.00 N ATOM 496 CA GLU A 31 1.414 6.282 -1.686 1.00 0.00 C ATOM 497 C GLU A 31 2.341 6.500 -0.501 1.00 0.00 C ATOM 498 O GLU A 31 3.540 6.687 -0.704 1.00 0.00 O ATOM 499 CB GLU A 31 0.836 7.577 -2.275 1.00 0.00 C ATOM 500 CG GLU A 31 0.060 8.452 -1.285 1.00 0.00 C ATOM 501 CD GLU A 31 -0.454 9.711 -1.978 1.00 0.00 C ATOM 502 OE1 GLU A 31 -1.499 9.663 -2.667 1.00 0.00 O ATOM 503 OE2 GLU A 31 0.224 10.762 -1.920 1.00 0.00 O ATOM 0 H GLU A 31 -0.572 5.618 -1.500 1.00 0.00 H new ATOM 0 HA GLU A 31 2.043 5.876 -2.479 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.654 8.165 -2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.175 7.318 -3.102 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.777 7.890 -0.871 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.704 8.726 -0.450 1.00 0.00 H new ATOM 510 N GLU A 32 1.810 6.405 0.715 1.00 0.00 N ATOM 511 CA GLU A 32 2.571 6.566 1.936 1.00 0.00 C ATOM 512 C GLU A 32 3.593 5.433 2.002 1.00 0.00 C ATOM 513 O GLU A 32 4.772 5.690 2.249 1.00 0.00 O ATOM 514 CB GLU A 32 1.622 6.577 3.141 1.00 0.00 C ATOM 515 CG GLU A 32 2.330 6.933 4.452 1.00 0.00 C ATOM 516 CD GLU A 32 1.338 6.992 5.617 1.00 0.00 C ATOM 517 OE1 GLU A 32 0.429 7.851 5.608 1.00 0.00 O ATOM 518 OE2 GLU A 32 1.485 6.172 6.556 1.00 0.00 O ATOM 0 H GLU A 32 0.822 6.211 0.875 1.00 0.00 H new ATOM 0 HA GLU A 32 3.105 7.516 1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.821 7.294 2.960 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.156 5.596 3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.102 6.193 4.665 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.831 7.895 4.348 1.00 0.00 H new ATOM 525 N ILE A 33 3.181 4.183 1.747 1.00 0.00 N ATOM 526 CA ILE A 33 4.109 3.061 1.785 1.00 0.00 C ATOM 527 C ILE A 33 5.126 3.150 0.650 1.00 0.00 C ATOM 528 O ILE A 33 6.319 2.924 0.879 1.00 0.00 O ATOM 529 CB ILE A 33 3.383 1.702 1.853 1.00 0.00 C ATOM 530 CG1 ILE A 33 2.670 1.602 3.219 1.00 0.00 C ATOM 531 CG2 ILE A 33 4.393 0.548 1.729 1.00 0.00 C ATOM 532 CD1 ILE A 33 2.180 0.202 3.582 1.00 0.00 C ATOM 0 H ILE A 33 2.220 3.932 1.515 1.00 0.00 H new ATOM 0 HA ILE A 33 4.675 3.128 2.714 1.00 0.00 H new ATOM 0 HB ILE A 33 2.666 1.631 1.035 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.353 1.946 3.996 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.818 2.282 3.219 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.865 -0.404 1.779 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.916 0.623 0.776 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.114 0.606 2.544 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.693 0.228 4.557 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.469 -0.141 2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.028 -0.482 3.619 1.00 0.00 H new ATOM 544 N ARG A 34 4.681 3.453 -0.573 1.00 0.00 N ATOM 545 CA ARG A 34 5.581 3.550 -1.719 1.00 0.00 C ATOM 546 C ARG A 34 6.642 4.602 -1.430 1.00 0.00 C ATOM 547 O ARG A 34 7.815 4.355 -1.720 1.00 0.00 O ATOM 548 CB ARG A 34 4.825 3.818 -3.026 1.00 0.00 C ATOM 549 CG ARG A 34 3.769 2.737 -3.320 1.00 0.00 C ATOM 550 CD ARG A 34 3.272 2.769 -4.766 1.00 0.00 C ATOM 551 NE ARG A 34 4.312 2.356 -5.723 1.00 0.00 N ATOM 552 CZ ARG A 34 4.360 2.725 -7.008 1.00 0.00 C ATOM 553 NH1 ARG A 34 3.342 3.363 -7.576 1.00 0.00 N ATOM 554 NH2 ARG A 34 5.444 2.471 -7.730 1.00 0.00 N ATOM 0 H ARG A 34 3.702 3.635 -0.792 1.00 0.00 H new ATOM 0 HA ARG A 34 6.076 2.590 -1.866 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.339 4.792 -2.969 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.535 3.864 -3.852 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.193 1.755 -3.108 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.922 2.871 -2.647 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.408 2.112 -4.866 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.936 3.777 -5.010 1.00 0.00 H new ATOM 0 HE ARG A 34 5.051 1.742 -5.380 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.507 3.579 -7.031 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.395 3.637 -8.557 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.240 1.995 -7.305 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.482 2.752 -8.710 1.00 0.00 H new ATOM 568 N GLN A 35 6.250 5.737 -0.845 1.00 0.00 N ATOM 569 CA GLN A 35 7.162 6.810 -0.480 1.00 0.00 C ATOM 570 C GLN A 35 8.120 6.332 0.609 1.00 0.00 C ATOM 571 O GLN A 35 9.331 6.401 0.404 1.00 0.00 O ATOM 572 CB GLN A 35 6.373 8.018 0.057 1.00 0.00 C ATOM 573 CG GLN A 35 5.955 8.989 -1.050 1.00 0.00 C ATOM 574 CD GLN A 35 7.132 9.836 -1.539 1.00 0.00 C ATOM 575 OE1 GLN A 35 7.951 10.324 -0.762 1.00 0.00 O ATOM 576 NE2 GLN A 35 7.305 9.999 -2.838 1.00 0.00 N ATOM 0 H GLN A 35 5.277 5.933 -0.611 1.00 0.00 H new ATOM 0 HA GLN A 35 7.723 7.101 -1.368 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.484 7.663 0.579 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.982 8.548 0.789 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.539 8.428 -1.887 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.165 9.643 -0.680 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.635 9.601 -3.496 1.00 0.00 H new ATOM 0 HE22 GLN A 35 8.109 10.523 -3.184 1.00 0.00 H new ATOM 585 N LYS A 36 7.602 5.781 1.715 1.00 0.00 N ATOM 586 CA LYS A 36 8.432 5.322 2.826 1.00 0.00 C ATOM 587 C LYS A 36 9.511 4.364 2.331 1.00 0.00 C ATOM 588 O LYS A 36 10.693 4.583 2.590 1.00 0.00 O ATOM 589 CB LYS A 36 7.545 4.803 3.987 1.00 0.00 C ATOM 590 CG LYS A 36 7.533 3.288 4.252 1.00 0.00 C ATOM 591 CD LYS A 36 6.375 2.797 5.128 1.00 0.00 C ATOM 592 CE LYS A 36 6.081 3.625 6.378 1.00 0.00 C ATOM 593 NZ LYS A 36 5.004 3.013 7.188 1.00 0.00 N ATOM 0 H LYS A 36 6.602 5.644 1.860 1.00 0.00 H new ATOM 0 HA LYS A 36 8.988 6.154 3.258 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.864 5.302 4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.520 5.118 3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.493 2.767 3.296 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.473 3.009 4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.473 2.765 4.518 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.588 1.773 5.436 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.986 3.713 6.979 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.791 4.635 6.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.827 3.598 8.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.135 2.952 6.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.292 2.059 7.484 1.00 0.00 H new ATOM 607 N TYR A 37 9.144 3.334 1.568 1.00 0.00 N ATOM 608 CA TYR A 37 10.124 2.387 1.072 1.00 0.00 C ATOM 609 C TYR A 37 11.012 3.007 -0.010 1.00 0.00 C ATOM 610 O TYR A 37 12.186 2.647 -0.047 1.00 0.00 O ATOM 611 CB TYR A 37 9.464 1.066 0.672 1.00 0.00 C ATOM 612 CG TYR A 37 9.110 0.168 1.854 1.00 0.00 C ATOM 613 CD1 TYR A 37 10.109 -0.371 2.694 1.00 0.00 C ATOM 614 CD2 TYR A 37 7.768 -0.153 2.102 1.00 0.00 C ATOM 615 CE1 TYR A 37 9.764 -1.228 3.757 1.00 0.00 C ATOM 616 CE2 TYR A 37 7.410 -1.004 3.163 1.00 0.00 C ATOM 617 CZ TYR A 37 8.408 -1.552 3.996 1.00 0.00 C ATOM 618 OH TYR A 37 8.078 -2.395 5.017 1.00 0.00 O ATOM 0 H TYR A 37 8.183 3.141 1.286 1.00 0.00 H new ATOM 0 HA TYR A 37 10.807 2.135 1.883 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.557 1.281 0.107 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.134 0.524 0.005 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.146 -0.124 2.520 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.997 0.260 1.468 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.536 -1.639 4.391 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.371 -1.238 3.340 1.00 0.00 H new ATOM 0 HH TYR A 37 7.130 -2.284 5.239 1.00 0.00 H new ATOM 628 N GLN A 38 10.540 3.945 -0.848 1.00 0.00 N ATOM 629 CA GLN A 38 11.413 4.557 -1.858 1.00 0.00 C ATOM 630 C GLN A 38 12.517 5.319 -1.135 1.00 0.00 C ATOM 631 O GLN A 38 13.669 5.217 -1.546 1.00 0.00 O ATOM 632 CB GLN A 38 10.664 5.460 -2.849 1.00 0.00 C ATOM 633 CG GLN A 38 11.604 6.257 -3.784 1.00 0.00 C ATOM 634 CD GLN A 38 12.591 5.404 -4.592 1.00 0.00 C ATOM 635 OE1 GLN A 38 12.290 4.292 -5.018 1.00 0.00 O ATOM 636 NE2 GLN A 38 13.782 5.906 -4.880 1.00 0.00 N ATOM 0 H GLN A 38 9.580 4.289 -0.846 1.00 0.00 H new ATOM 0 HA GLN A 38 11.837 3.761 -2.471 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.996 4.847 -3.454 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.039 6.159 -2.292 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.995 6.837 -4.478 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.170 6.970 -3.184 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.044 6.828 -4.532 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.437 5.370 -5.449 1.00 0.00 H new ATOM 645 N SER A 39 12.217 6.034 -0.049 1.00 0.00 N ATOM 646 CA SER A 39 13.234 6.757 0.707 1.00 0.00 C ATOM 647 C SER A 39 14.293 5.765 1.197 1.00 0.00 C ATOM 648 O SER A 39 15.474 6.106 1.252 1.00 0.00 O ATOM 649 CB SER A 39 12.565 7.538 1.834 1.00 0.00 C ATOM 650 OG SER A 39 11.558 8.393 1.322 1.00 0.00 O ATOM 0 H SER A 39 11.273 6.126 0.326 1.00 0.00 H new ATOM 0 HA SER A 39 13.748 7.487 0.082 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.129 6.845 2.554 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.311 8.126 2.368 1.00 0.00 H new ATOM 0 HG SER A 39 10.766 7.864 1.090 1.00 0.00 H new ATOM 656 N LYS A 40 13.892 4.535 1.552 1.00 0.00 N ATOM 657 CA LYS A 40 14.816 3.485 1.973 1.00 0.00 C ATOM 658 C LYS A 40 15.550 2.893 0.766 1.00 0.00 C ATOM 659 O LYS A 40 16.665 2.409 0.944 1.00 0.00 O ATOM 660 CB LYS A 40 14.102 2.359 2.724 1.00 0.00 C ATOM 661 CG LYS A 40 13.378 2.837 3.985 1.00 0.00 C ATOM 662 CD LYS A 40 12.917 1.629 4.800 1.00 0.00 C ATOM 663 CE LYS A 40 11.532 1.815 5.421 1.00 0.00 C ATOM 664 NZ LYS A 40 11.272 0.752 6.412 1.00 0.00 N ATOM 0 H LYS A 40 12.914 4.245 1.553 1.00 0.00 H new ATOM 0 HA LYS A 40 15.532 3.951 2.649 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.381 1.886 2.057 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.830 1.596 2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.042 3.460 4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.521 3.454 3.713 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.905 0.749 4.158 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.640 1.436 5.592 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.468 2.792 5.900 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.770 1.791 4.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.642 1.116 7.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.820 -0.058 5.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.170 0.448 6.839 1.00 0.00 H new ATOM 678 N ARG A 41 14.957 2.868 -0.437 1.00 0.00 N ATOM 679 CA ARG A 41 15.567 2.334 -1.660 1.00 0.00 C ATOM 680 C ARG A 41 16.585 3.313 -2.224 1.00 0.00 C ATOM 681 O ARG A 41 17.606 2.876 -2.742 1.00 0.00 O ATOM 682 CB ARG A 41 14.510 2.019 -2.743 1.00 0.00 C ATOM 683 CG ARG A 41 15.070 1.086 -3.841 1.00 0.00 C ATOM 684 CD ARG A 41 14.264 1.089 -5.148 1.00 0.00 C ATOM 685 NE ARG A 41 12.929 0.494 -4.994 1.00 0.00 N ATOM 686 CZ ARG A 41 12.258 -0.210 -5.916 1.00 0.00 C ATOM 687 NH1 ARG A 41 12.745 -0.369 -7.139 1.00 0.00 N ATOM 688 NH2 ARG A 41 11.074 -0.735 -5.630 1.00 0.00 N ATOM 0 H ARG A 41 14.015 3.229 -0.588 1.00 0.00 H new ATOM 0 HA ARG A 41 16.065 1.404 -1.385 1.00 0.00 H new ATOM 0 HB2 ARG A 41 13.642 1.552 -2.278 1.00 0.00 H new ATOM 0 HB3 ARG A 41 14.167 2.949 -3.197 1.00 0.00 H new ATOM 0 HG2 ARG A 41 16.097 1.379 -4.061 1.00 0.00 H new ATOM 0 HG3 ARG A 41 15.105 0.068 -3.453 1.00 0.00 H new ATOM 0 HD2 ARG A 41 14.161 2.114 -5.504 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.816 0.540 -5.911 1.00 0.00 H new ATOM 0 HE ARG A 41 12.467 0.631 -4.095 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.642 0.047 -7.389 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.223 -0.908 -7.830 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.668 -0.604 -4.703 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.569 -1.270 -6.337 1.00 0.00 H new ATOM 702 N GLN A 42 16.344 4.614 -2.112 1.00 0.00 N ATOM 703 CA GLN A 42 17.236 5.644 -2.615 1.00 0.00 C ATOM 704 C GLN A 42 18.694 5.421 -2.179 1.00 0.00 C ATOM 705 O GLN A 42 19.531 5.288 -3.061 1.00 0.00 O ATOM 706 CB GLN A 42 16.682 7.039 -2.284 1.00 0.00 C ATOM 707 CG GLN A 42 17.341 8.113 -3.154 1.00 0.00 C ATOM 708 CD GLN A 42 17.034 7.888 -4.631 1.00 0.00 C ATOM 709 OE1 GLN A 42 15.882 8.033 -5.051 1.00 0.00 O ATOM 710 NE2 GLN A 42 18.009 7.455 -5.412 1.00 0.00 N ATOM 0 H GLN A 42 15.508 4.986 -1.661 1.00 0.00 H new ATOM 0 HA GLN A 42 17.270 5.575 -3.702 1.00 0.00 H new ATOM 0 HB2 GLN A 42 15.603 7.052 -2.439 1.00 0.00 H new ATOM 0 HB3 GLN A 42 16.855 7.262 -1.231 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.986 9.098 -2.852 1.00 0.00 H new ATOM 0 HG3 GLN A 42 18.420 8.101 -2.998 1.00 0.00 H new ATOM 0 HE21 GLN A 42 18.951 7.345 -5.038 1.00 0.00 H new ATOM 0 HE22 GLN A 42 17.819 7.231 -6.389 1.00 0.00 H new ATOM 719 N PRO A 43 19.036 5.286 -0.884 1.00 0.00 N ATOM 720 CA PRO A 43 20.413 5.057 -0.458 1.00 0.00 C ATOM 721 C PRO A 43 20.973 3.727 -0.973 1.00 0.00 C ATOM 722 O PRO A 43 22.185 3.570 -0.990 1.00 0.00 O ATOM 723 CB PRO A 43 20.392 5.075 1.073 1.00 0.00 C ATOM 724 CG PRO A 43 18.948 4.731 1.399 1.00 0.00 C ATOM 725 CD PRO A 43 18.188 5.410 0.278 1.00 0.00 C ATOM 0 HA PRO A 43 21.065 5.828 -0.868 1.00 0.00 H new ATOM 0 HB2 PRO A 43 21.085 4.347 1.495 1.00 0.00 H new ATOM 0 HB3 PRO A 43 20.674 6.051 1.469 1.00 0.00 H new ATOM 0 HG2 PRO A 43 18.780 3.654 1.409 1.00 0.00 H new ATOM 0 HG3 PRO A 43 18.652 5.109 2.377 1.00 0.00 H new ATOM 0 HD2 PRO A 43 17.222 4.934 0.113 1.00 0.00 H new ATOM 0 HD3 PRO A 43 17.992 6.456 0.513 1.00 0.00 H new ATOM 733 N ILE A 44 20.125 2.754 -1.323 1.00 0.00 N ATOM 734 CA ILE A 44 20.547 1.458 -1.840 1.00 0.00 C ATOM 735 C ILE A 44 21.010 1.655 -3.280 1.00 0.00 C ATOM 736 O ILE A 44 22.119 1.247 -3.618 1.00 0.00 O ATOM 737 CB ILE A 44 19.397 0.428 -1.773 1.00 0.00 C ATOM 738 CG1 ILE A 44 18.847 0.255 -0.345 1.00 0.00 C ATOM 739 CG2 ILE A 44 19.841 -0.916 -2.347 1.00 0.00 C ATOM 740 CD1 ILE A 44 17.636 -0.681 -0.267 1.00 0.00 C ATOM 0 H ILE A 44 19.112 2.851 -1.252 1.00 0.00 H new ATOM 0 HA ILE A 44 21.361 1.066 -1.231 1.00 0.00 H new ATOM 0 HB ILE A 44 18.583 0.819 -2.383 1.00 0.00 H new ATOM 0 HG12 ILE A 44 19.638 -0.133 0.296 1.00 0.00 H new ATOM 0 HG13 ILE A 44 18.567 1.232 0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 44 19.016 -1.626 -2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 44 20.137 -0.787 -3.388 1.00 0.00 H new ATOM 0 HG23 ILE A 44 20.687 -1.295 -1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 44 17.301 -0.757 0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.829 -0.283 -0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 44 17.916 -1.670 -0.631 1.00 0.00 H new ATOM 752 N LEU A 45 20.164 2.253 -4.130 1.00 0.00 N ATOM 753 CA LEU A 45 20.524 2.487 -5.526 1.00 0.00 C ATOM 754 C LEU A 45 21.723 3.427 -5.568 1.00 0.00 C ATOM 755 O LEU A 45 22.683 3.182 -6.288 1.00 0.00 O ATOM 756 CB LEU A 45 19.313 2.905 -6.382 1.00 0.00 C ATOM 757 CG LEU A 45 18.886 4.376 -6.404 1.00 0.00 C ATOM 758 CD1 LEU A 45 19.651 5.192 -7.454 1.00 0.00 C ATOM 759 CD2 LEU A 45 17.375 4.436 -6.695 1.00 0.00 C ATOM 0 H LEU A 45 19.233 2.580 -3.873 1.00 0.00 H new ATOM 0 HA LEU A 45 20.838 1.558 -6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 45 19.520 2.608 -7.410 1.00 0.00 H new ATOM 0 HB3 LEU A 45 18.457 2.320 -6.047 1.00 0.00 H new ATOM 0 HG LEU A 45 19.116 4.816 -5.434 1.00 0.00 H new ATOM 0 HD11 LEU A 45 19.311 6.227 -7.429 1.00 0.00 H new ATOM 0 HD12 LEU A 45 20.718 5.155 -7.237 1.00 0.00 H new ATOM 0 HD13 LEU A 45 19.468 4.774 -8.444 1.00 0.00 H new ATOM 0 HD21 LEU A 45 17.049 5.476 -6.715 1.00 0.00 H new ATOM 0 HD22 LEU A 45 17.172 3.973 -7.661 1.00 0.00 H new ATOM 0 HD23 LEU A 45 16.833 3.901 -5.915 1.00 0.00 H new ATOM 771 N ASP A 46 21.711 4.439 -4.702 1.00 0.00 N ATOM 772 CA ASP A 46 22.783 5.420 -4.606 1.00 0.00 C ATOM 773 C ASP A 46 24.079 4.747 -4.138 1.00 0.00 C ATOM 774 O ASP A 46 25.161 5.273 -4.382 1.00 0.00 O ATOM 775 CB ASP A 46 22.413 6.538 -3.620 1.00 0.00 C ATOM 776 CG ASP A 46 21.325 7.522 -4.044 1.00 0.00 C ATOM 777 OD1 ASP A 46 20.838 7.497 -5.194 1.00 0.00 O ATOM 778 OD2 ASP A 46 20.987 8.394 -3.209 1.00 0.00 O ATOM 0 H ASP A 46 20.949 4.600 -4.043 1.00 0.00 H new ATOM 0 HA ASP A 46 22.931 5.852 -5.596 1.00 0.00 H new ATOM 0 HB2 ASP A 46 22.099 6.072 -2.686 1.00 0.00 H new ATOM 0 HB3 ASP A 46 23.316 7.108 -3.404 1.00 0.00 H new ATOM 783 N ALA A 47 23.989 3.637 -3.392 1.00 0.00 N ATOM 784 CA ALA A 47 25.150 2.916 -2.902 1.00 0.00 C ATOM 785 C ALA A 47 25.795 2.066 -3.990 1.00 0.00 C ATOM 786 O ALA A 47 27.000 2.184 -4.178 1.00 0.00 O ATOM 787 CB ALA A 47 24.783 2.029 -1.704 1.00 0.00 C ATOM 0 H ALA A 47 23.100 3.220 -3.116 1.00 0.00 H new ATOM 0 HA ALA A 47 25.873 3.667 -2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 47 25.671 1.500 -1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 47 24.392 2.650 -0.898 1.00 0.00 H new ATOM 0 HB3 ALA A 47 24.025 1.306 -2.005 1.00 0.00 H new ATOM 793 N ILE A 48 25.037 1.211 -4.686 1.00 0.00 N ATOM 794 CA ILE A 48 25.617 0.344 -5.720 1.00 0.00 C ATOM 795 C ILE A 48 26.159 1.130 -6.896 1.00 0.00 C ATOM 796 O ILE A 48 27.184 0.758 -7.461 1.00 0.00 O ATOM 797 CB ILE A 48 24.640 -0.756 -6.173 1.00 0.00 C ATOM 798 CG1 ILE A 48 25.339 -1.772 -7.094 1.00 0.00 C ATOM 799 CG2 ILE A 48 23.352 -0.191 -6.777 1.00 0.00 C ATOM 800 CD1 ILE A 48 24.564 -3.088 -7.193 1.00 0.00 C ATOM 0 H ILE A 48 24.031 1.101 -4.555 1.00 0.00 H new ATOM 0 HA ILE A 48 26.467 -0.156 -5.256 1.00 0.00 H new ATOM 0 HB ILE A 48 24.324 -1.297 -5.281 1.00 0.00 H new ATOM 0 HG12 ILE A 48 25.450 -1.342 -8.089 1.00 0.00 H new ATOM 0 HG13 ILE A 48 26.343 -1.970 -6.718 1.00 0.00 H new ATOM 0 HG21 ILE A 48 22.701 -1.012 -7.079 1.00 0.00 H new ATOM 0 HG22 ILE A 48 22.841 0.424 -6.036 1.00 0.00 H new ATOM 0 HG23 ILE A 48 23.595 0.418 -7.648 1.00 0.00 H new ATOM 0 HD11 ILE A 48 25.095 -3.774 -7.853 1.00 0.00 H new ATOM 0 HD12 ILE A 48 24.475 -3.533 -6.202 1.00 0.00 H new ATOM 0 HD13 ILE A 48 23.569 -2.895 -7.594 1.00 0.00 H new ATOM 812 N GLU A 49 25.501 2.228 -7.249 1.00 0.00 N ATOM 813 CA GLU A 49 25.936 3.056 -8.356 1.00 0.00 C ATOM 814 C GLU A 49 27.243 3.781 -8.014 1.00 0.00 C ATOM 815 O GLU A 49 27.857 4.380 -8.895 1.00 0.00 O ATOM 816 CB GLU A 49 24.803 3.973 -8.828 1.00 0.00 C ATOM 817 CG GLU A 49 23.595 3.191 -9.378 1.00 0.00 C ATOM 818 CD GLU A 49 23.888 2.367 -10.639 1.00 0.00 C ATOM 819 OE1 GLU A 49 24.511 1.280 -10.547 1.00 0.00 O ATOM 820 OE2 GLU A 49 23.414 2.756 -11.728 1.00 0.00 O ATOM 0 H GLU A 49 24.660 2.563 -6.779 1.00 0.00 H new ATOM 0 HA GLU A 49 26.172 2.425 -9.213 1.00 0.00 H new ATOM 0 HB2 GLU A 49 24.478 4.599 -7.997 1.00 0.00 H new ATOM 0 HB3 GLU A 49 25.181 4.642 -9.602 1.00 0.00 H new ATOM 0 HG2 GLU A 49 23.227 2.522 -8.600 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.793 3.895 -9.598 1.00 0.00 H new ATOM 827 N ALA A 50 27.642 3.778 -6.738 1.00 0.00 N ATOM 828 CA ALA A 50 28.854 4.395 -6.237 1.00 0.00 C ATOM 829 C ALA A 50 29.979 3.373 -5.972 1.00 0.00 C ATOM 830 O ALA A 50 30.965 3.757 -5.338 1.00 0.00 O ATOM 831 CB ALA A 50 28.513 5.215 -4.988 1.00 0.00 C ATOM 0 H ALA A 50 27.100 3.324 -6.003 1.00 0.00 H new ATOM 0 HA ALA A 50 29.249 5.059 -7.006 1.00 0.00 H new ATOM 0 HB1 ALA A 50 29.418 5.684 -4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 50 27.787 5.986 -5.246 1.00 0.00 H new ATOM 0 HB3 ALA A 50 28.091 4.559 -4.226 1.00 0.00 H new ATOM 837 N LYS A 51 29.851 2.101 -6.389 1.00 0.00 N ATOM 838 CA LYS A 51 30.874 1.074 -6.193 1.00 0.00 C ATOM 839 C LYS A 51 31.376 0.591 -7.537 1.00 0.00 C ATOM 840 O LYS A 51 32.607 0.544 -7.696 1.00 0.00 O ATOM 841 CB LYS A 51 30.339 -0.121 -5.395 1.00 0.00 C ATOM 842 CG LYS A 51 29.527 0.308 -4.170 1.00 0.00 C ATOM 843 CD LYS A 51 29.669 -0.650 -3.002 1.00 0.00 C ATOM 844 CE LYS A 51 31.071 -0.521 -2.394 1.00 0.00 C ATOM 845 NZ LYS A 51 31.004 0.036 -1.029 1.00 0.00 N ATOM 0 H LYS A 51 29.023 1.759 -6.876 1.00 0.00 H new ATOM 0 HA LYS A 51 31.688 1.524 -5.624 1.00 0.00 H new ATOM 0 HB2 LYS A 51 29.715 -0.736 -6.043 1.00 0.00 H new ATOM 0 HB3 LYS A 51 31.175 -0.742 -5.073 1.00 0.00 H new ATOM 0 HG2 LYS A 51 29.847 1.302 -3.859 1.00 0.00 H new ATOM 0 HG3 LYS A 51 28.475 0.383 -4.446 1.00 0.00 H new ATOM 0 HD2 LYS A 51 28.913 -0.432 -2.247 1.00 0.00 H new ATOM 0 HD3 LYS A 51 29.500 -1.674 -3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 51 31.552 -1.499 -2.369 1.00 0.00 H new ATOM 0 HE3 LYS A 51 31.687 0.121 -3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 31.968 0.193 -0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 30.490 0.940 -1.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 30.507 -0.632 -0.405 1.00 0.00 H new TER 859 LYS A 51 ATOM 860 N GLY B 101 15.845 1.668 15.211 1.00 0.00 N ATOM 861 CA GLY B 101 17.022 2.457 15.585 1.00 0.00 C ATOM 862 C GLY B 101 18.261 1.908 14.915 1.00 0.00 C ATOM 863 O GLY B 101 19.004 1.158 15.547 1.00 0.00 O ATOM 0 HA2 GLY B 101 16.876 3.498 15.297 1.00 0.00 H new ATOM 0 HA3 GLY B 101 17.149 2.441 16.667 1.00 0.00 H new ATOM 867 N SER B 102 18.443 2.208 13.632 1.00 0.00 N ATOM 868 CA SER B 102 19.558 1.812 12.791 1.00 0.00 C ATOM 869 C SER B 102 19.313 2.533 11.476 1.00 0.00 C ATOM 870 O SER B 102 18.184 2.531 10.976 1.00 0.00 O ATOM 871 CB SER B 102 19.584 0.301 12.541 1.00 0.00 C ATOM 872 OG SER B 102 20.871 -0.231 12.778 1.00 0.00 O ATOM 0 H SER B 102 17.765 2.774 13.121 1.00 0.00 H new ATOM 0 HA SER B 102 20.510 2.062 13.260 1.00 0.00 H new ATOM 0 HB2 SER B 102 18.859 -0.191 13.189 1.00 0.00 H new ATOM 0 HB3 SER B 102 19.285 0.094 11.513 1.00 0.00 H new ATOM 0 HG SER B 102 20.861 -1.197 12.613 1.00 0.00 H new ATOM 878 N ASP B 103 20.346 3.172 10.944 1.00 0.00 N ATOM 879 CA ASP B 103 20.235 3.891 9.691 1.00 0.00 C ATOM 880 C ASP B 103 20.456 2.943 8.523 1.00 0.00 C ATOM 881 O ASP B 103 20.888 1.797 8.668 1.00 0.00 O ATOM 882 CB ASP B 103 21.257 5.028 9.643 1.00 0.00 C ATOM 883 CG ASP B 103 20.828 6.168 10.545 1.00 0.00 C ATOM 884 OD1 ASP B 103 19.877 6.894 10.185 1.00 0.00 O ATOM 885 OD2 ASP B 103 21.442 6.349 11.619 1.00 0.00 O ATOM 0 H ASP B 103 21.274 3.204 11.367 1.00 0.00 H new ATOM 0 HA ASP B 103 19.233 4.315 9.618 1.00 0.00 H new ATOM 0 HB2 ASP B 103 22.235 4.659 9.954 1.00 0.00 H new ATOM 0 HB3 ASP B 103 21.362 5.387 8.619 1.00 0.00 H new ATOM 890 N TYR B 104 20.183 3.472 7.337 1.00 0.00 N ATOM 891 CA TYR B 104 20.320 2.804 6.054 1.00 0.00 C ATOM 892 C TYR B 104 21.094 3.720 5.099 1.00 0.00 C ATOM 893 O TYR B 104 21.084 3.515 3.893 1.00 0.00 O ATOM 894 CB TYR B 104 18.922 2.420 5.549 1.00 0.00 C ATOM 895 CG TYR B 104 18.275 1.322 6.378 1.00 0.00 C ATOM 896 CD1 TYR B 104 18.550 -0.034 6.101 1.00 0.00 C ATOM 897 CD2 TYR B 104 17.477 1.651 7.491 1.00 0.00 C ATOM 898 CE1 TYR B 104 18.031 -1.049 6.922 1.00 0.00 C ATOM 899 CE2 TYR B 104 16.976 0.641 8.329 1.00 0.00 C ATOM 900 CZ TYR B 104 17.252 -0.716 8.049 1.00 0.00 C ATOM 901 OH TYR B 104 16.786 -1.703 8.861 1.00 0.00 O ATOM 0 H TYR B 104 19.842 4.429 7.242 1.00 0.00 H new ATOM 0 HA TYR B 104 20.893 1.880 6.133 1.00 0.00 H new ATOM 0 HB2 TYR B 104 18.282 3.302 5.561 1.00 0.00 H new ATOM 0 HB3 TYR B 104 18.993 2.091 4.512 1.00 0.00 H new ATOM 0 HD1 TYR B 104 19.164 -0.294 5.251 1.00 0.00 H new ATOM 0 HD2 TYR B 104 17.249 2.685 7.701 1.00 0.00 H new ATOM 0 HE1 TYR B 104 18.229 -2.085 6.690 1.00 0.00 H new ATOM 0 HE2 TYR B 104 16.378 0.903 9.190 1.00 0.00 H new ATOM 0 HH TYR B 104 16.268 -1.307 9.593 1.00 0.00 H new ATOM 911 N GLU B 105 21.720 4.781 5.614 1.00 0.00 N ATOM 912 CA GLU B 105 22.486 5.722 4.813 1.00 0.00 C ATOM 913 C GLU B 105 23.907 5.238 4.525 1.00 0.00 C ATOM 914 O GLU B 105 24.410 5.467 3.432 1.00 0.00 O ATOM 915 CB GLU B 105 22.451 7.096 5.486 1.00 0.00 C ATOM 916 CG GLU B 105 23.241 7.186 6.800 1.00 0.00 C ATOM 917 CD GLU B 105 22.861 8.442 7.579 1.00 0.00 C ATOM 918 OE1 GLU B 105 22.691 9.507 6.937 1.00 0.00 O ATOM 919 OE2 GLU B 105 22.706 8.363 8.819 1.00 0.00 O ATOM 0 H GLU B 105 21.706 5.008 6.608 1.00 0.00 H new ATOM 0 HA GLU B 105 22.021 5.803 3.831 1.00 0.00 H new ATOM 0 HB2 GLU B 105 22.844 7.837 4.790 1.00 0.00 H new ATOM 0 HB3 GLU B 105 21.413 7.363 5.683 1.00 0.00 H new ATOM 0 HG2 GLU B 105 23.045 6.303 7.408 1.00 0.00 H new ATOM 0 HG3 GLU B 105 24.310 7.195 6.586 1.00 0.00 H new ATOM 926 N PHE B 106 24.525 4.543 5.484 1.00 0.00 N ATOM 927 CA PHE B 106 25.875 3.982 5.464 1.00 0.00 C ATOM 928 C PHE B 106 26.028 2.833 4.467 1.00 0.00 C ATOM 929 O PHE B 106 27.130 2.306 4.296 1.00 0.00 O ATOM 930 CB PHE B 106 26.228 3.529 6.896 1.00 0.00 C ATOM 931 CG PHE B 106 27.003 4.523 7.748 1.00 0.00 C ATOM 932 CD1 PHE B 106 26.938 5.913 7.517 1.00 0.00 C ATOM 933 CD2 PHE B 106 27.834 4.035 8.776 1.00 0.00 C ATOM 934 CE1 PHE B 106 27.699 6.798 8.300 1.00 0.00 C ATOM 935 CE2 PHE B 106 28.602 4.920 9.552 1.00 0.00 C ATOM 936 CZ PHE B 106 28.534 6.303 9.315 1.00 0.00 C ATOM 0 H PHE B 106 24.053 4.343 6.366 1.00 0.00 H new ATOM 0 HA PHE B 106 26.568 4.753 5.126 1.00 0.00 H new ATOM 0 HB2 PHE B 106 25.301 3.284 7.415 1.00 0.00 H new ATOM 0 HB3 PHE B 106 26.809 2.609 6.830 1.00 0.00 H new ATOM 0 HD1 PHE B 106 26.301 6.299 6.735 1.00 0.00 H new ATOM 0 HD2 PHE B 106 27.881 2.973 8.969 1.00 0.00 H new ATOM 0 HE1 PHE B 106 27.642 7.861 8.121 1.00 0.00 H new ATOM 0 HE2 PHE B 106 29.245 4.537 10.331 1.00 0.00 H new ATOM 0 HZ PHE B 106 29.122 6.984 9.912 1.00 0.00 H new ATOM 946 N LEU B 107 24.937 2.447 3.800 1.00 0.00 N ATOM 947 CA LEU B 107 24.915 1.382 2.804 1.00 0.00 C ATOM 948 C LEU B 107 25.887 1.713 1.672 1.00 0.00 C ATOM 949 O LEU B 107 26.325 0.805 0.975 1.00 0.00 O ATOM 950 CB LEU B 107 23.489 1.156 2.267 1.00 0.00 C ATOM 951 CG LEU B 107 22.490 0.701 3.350 1.00 0.00 C ATOM 952 CD1 LEU B 107 21.050 0.675 2.827 1.00 0.00 C ATOM 953 CD2 LEU B 107 22.822 -0.670 3.943 1.00 0.00 C ATOM 0 H LEU B 107 24.024 2.879 3.944 1.00 0.00 H new ATOM 0 HA LEU B 107 25.234 0.453 3.276 1.00 0.00 H new ATOM 0 HB2 LEU B 107 23.128 2.080 1.816 1.00 0.00 H new ATOM 0 HB3 LEU B 107 23.521 0.407 1.476 1.00 0.00 H new ATOM 0 HG LEU B 107 22.580 1.446 4.141 1.00 0.00 H new ATOM 0 HD11 LEU B 107 20.380 0.349 3.622 1.00 0.00 H new ATOM 0 HD12 LEU B 107 20.764 1.674 2.498 1.00 0.00 H new ATOM 0 HD13 LEU B 107 20.980 -0.017 1.987 1.00 0.00 H new ATOM 0 HD21 LEU B 107 22.080 -0.929 4.698 1.00 0.00 H new ATOM 0 HD22 LEU B 107 22.813 -1.420 3.152 1.00 0.00 H new ATOM 0 HD23 LEU B 107 23.810 -0.638 4.401 1.00 0.00 H new ATOM 965 N LYS B 108 26.261 2.989 1.505 1.00 0.00 N ATOM 966 CA LYS B 108 27.214 3.404 0.470 1.00 0.00 C ATOM 967 C LYS B 108 28.542 2.643 0.590 1.00 0.00 C ATOM 968 O LYS B 108 29.184 2.315 -0.413 1.00 0.00 O ATOM 969 CB LYS B 108 27.523 4.901 0.608 1.00 0.00 C ATOM 970 CG LYS B 108 26.362 5.893 0.502 1.00 0.00 C ATOM 971 CD LYS B 108 25.566 5.786 -0.798 1.00 0.00 C ATOM 972 CE LYS B 108 24.493 6.871 -0.868 1.00 0.00 C ATOM 973 NZ LYS B 108 25.043 8.205 -1.177 1.00 0.00 N ATOM 0 H LYS B 108 25.914 3.757 2.080 1.00 0.00 H new ATOM 0 HA LYS B 108 26.754 3.187 -0.494 1.00 0.00 H new ATOM 0 HB2 LYS B 108 28.004 5.054 1.574 1.00 0.00 H new ATOM 0 HB3 LYS B 108 28.254 5.162 -0.157 1.00 0.00 H new ATOM 0 HG2 LYS B 108 25.686 5.736 1.343 1.00 0.00 H new ATOM 0 HG3 LYS B 108 26.754 6.906 0.593 1.00 0.00 H new ATOM 0 HD2 LYS B 108 26.239 5.878 -1.650 1.00 0.00 H new ATOM 0 HD3 LYS B 108 25.100 4.803 -0.865 1.00 0.00 H new ATOM 0 HE2 LYS B 108 23.760 6.601 -1.628 1.00 0.00 H new ATOM 0 HE3 LYS B 108 23.964 6.914 0.084 1.00 0.00 H new ATOM 0 HZ1 LYS B 108 24.265 8.890 -1.262 1.00 0.00 H new ATOM 0 HZ2 LYS B 108 25.684 8.502 -0.414 1.00 0.00 H new ATOM 0 HZ3 LYS B 108 25.568 8.165 -2.074 1.00 0.00 H new ATOM 987 N SER B 109 28.985 2.364 1.817 1.00 0.00 N ATOM 988 CA SER B 109 30.244 1.674 2.041 1.00 0.00 C ATOM 989 C SER B 109 30.091 0.154 2.112 1.00 0.00 C ATOM 990 O SER B 109 31.109 -0.532 2.016 1.00 0.00 O ATOM 991 CB SER B 109 30.922 2.244 3.287 1.00 0.00 C ATOM 992 OG SER B 109 31.014 3.663 3.233 1.00 0.00 O ATOM 0 H SER B 109 28.484 2.609 2.671 1.00 0.00 H new ATOM 0 HA SER B 109 30.883 1.853 1.176 1.00 0.00 H new ATOM 0 HB2 SER B 109 30.361 1.949 4.174 1.00 0.00 H new ATOM 0 HB3 SER B 109 31.920 1.818 3.385 1.00 0.00 H new ATOM 0 HG SER B 109 31.451 3.994 4.046 1.00 0.00 H new ATOM 998 N TRP B 110 28.874 -0.384 2.249 1.00 0.00 N ATOM 999 CA TRP B 110 28.639 -1.825 2.325 1.00 0.00 C ATOM 1000 C TRP B 110 29.078 -2.505 1.019 1.00 0.00 C ATOM 1001 O TRP B 110 29.246 -1.856 -0.017 1.00 0.00 O ATOM 1002 CB TRP B 110 27.146 -2.091 2.597 1.00 0.00 C ATOM 1003 CG TRP B 110 26.637 -2.086 4.016 1.00 0.00 C ATOM 1004 CD1 TRP B 110 25.559 -2.800 4.416 1.00 0.00 C ATOM 1005 CD2 TRP B 110 27.085 -1.361 5.213 1.00 0.00 C ATOM 1006 NE1 TRP B 110 25.309 -2.584 5.753 1.00 0.00 N ATOM 1007 CE2 TRP B 110 26.206 -1.692 6.292 1.00 0.00 C ATOM 1008 CE3 TRP B 110 28.143 -0.477 5.523 1.00 0.00 C ATOM 1009 CZ2 TRP B 110 26.354 -1.163 7.583 1.00 0.00 C ATOM 1010 CZ3 TRP B 110 28.309 0.053 6.817 1.00 0.00 C ATOM 1011 CH2 TRP B 110 27.411 -0.278 7.845 1.00 0.00 C ATOM 0 H TRP B 110 28.022 0.173 2.310 1.00 0.00 H new ATOM 0 HA TRP B 110 29.228 -2.242 3.142 1.00 0.00 H new ATOM 0 HB2 TRP B 110 26.575 -1.346 2.043 1.00 0.00 H new ATOM 0 HB3 TRP B 110 26.904 -3.063 2.167 1.00 0.00 H new ATOM 0 HD1 TRP B 110 24.977 -3.448 3.777 1.00 0.00 H new ATOM 0 HE1 TRP B 110 24.555 -3.029 6.276 1.00 0.00 H new ATOM 0 HE3 TRP B 110 28.842 -0.201 4.748 1.00 0.00 H new ATOM 0 HZ2 TRP B 110 25.662 -1.434 8.367 1.00 0.00 H new ATOM 0 HZ3 TRP B 110 29.134 0.720 7.021 1.00 0.00 H new ATOM 0 HH2 TRP B 110 27.533 0.146 8.831 1.00 0.00 H new ATOM 1022 N THR B 111 29.307 -3.813 1.069 1.00 0.00 N ATOM 1023 CA THR B 111 29.706 -4.630 -0.067 1.00 0.00 C ATOM 1024 C THR B 111 28.561 -4.654 -1.084 1.00 0.00 C ATOM 1025 O THR B 111 27.397 -4.488 -0.716 1.00 0.00 O ATOM 1026 CB THR B 111 30.092 -6.042 0.439 1.00 0.00 C ATOM 1027 OG1 THR B 111 29.761 -6.223 1.805 1.00 0.00 O ATOM 1028 CG2 THR B 111 31.602 -6.246 0.324 1.00 0.00 C ATOM 0 H THR B 111 29.216 -4.350 1.932 1.00 0.00 H new ATOM 0 HA THR B 111 30.580 -4.216 -0.569 1.00 0.00 H new ATOM 0 HB THR B 111 29.540 -6.753 -0.175 1.00 0.00 H new ATOM 0 HG1 THR B 111 30.018 -7.126 2.087 1.00 0.00 H new ATOM 0 HG21 THR B 111 31.863 -7.242 0.682 1.00 0.00 H new ATOM 0 HG22 THR B 111 31.905 -6.145 -0.718 1.00 0.00 H new ATOM 0 HG23 THR B 111 32.117 -5.497 0.926 1.00 0.00 H new ATOM 1036 N VAL B 112 28.882 -4.905 -2.357 1.00 0.00 N ATOM 1037 CA VAL B 112 27.902 -4.950 -3.439 1.00 0.00 C ATOM 1038 C VAL B 112 26.806 -5.958 -3.113 1.00 0.00 C ATOM 1039 O VAL B 112 25.635 -5.626 -3.243 1.00 0.00 O ATOM 1040 CB VAL B 112 28.577 -5.262 -4.793 1.00 0.00 C ATOM 1041 CG1 VAL B 112 27.592 -5.110 -5.963 1.00 0.00 C ATOM 1042 CG2 VAL B 112 29.779 -4.337 -5.032 1.00 0.00 C ATOM 0 H VAL B 112 29.838 -5.084 -2.665 1.00 0.00 H new ATOM 0 HA VAL B 112 27.442 -3.966 -3.531 1.00 0.00 H new ATOM 0 HB VAL B 112 28.915 -6.297 -4.747 1.00 0.00 H new ATOM 0 HG11 VAL B 112 28.102 -5.337 -6.899 1.00 0.00 H new ATOM 0 HG12 VAL B 112 26.757 -5.798 -5.828 1.00 0.00 H new ATOM 0 HG13 VAL B 112 27.218 -4.087 -5.993 1.00 0.00 H new ATOM 0 HG21 VAL B 112 30.237 -4.576 -5.992 1.00 0.00 H new ATOM 0 HG22 VAL B 112 29.444 -3.300 -5.038 1.00 0.00 H new ATOM 0 HG23 VAL B 112 30.510 -4.477 -4.236 1.00 0.00 H new ATOM 1052 N GLU B 113 27.154 -7.165 -2.659 1.00 0.00 N ATOM 1053 CA GLU B 113 26.126 -8.147 -2.342 1.00 0.00 C ATOM 1054 C GLU B 113 25.302 -7.688 -1.143 1.00 0.00 C ATOM 1055 O GLU B 113 24.078 -7.661 -1.225 1.00 0.00 O ATOM 1056 CB GLU B 113 26.709 -9.537 -2.068 1.00 0.00 C ATOM 1057 CG GLU B 113 27.048 -10.320 -3.347 1.00 0.00 C ATOM 1058 CD GLU B 113 26.815 -11.818 -3.126 1.00 0.00 C ATOM 1059 OE1 GLU B 113 27.347 -12.375 -2.145 1.00 0.00 O ATOM 1060 OE2 GLU B 113 25.992 -12.432 -3.851 1.00 0.00 O ATOM 0 H GLU B 113 28.114 -7.476 -2.507 1.00 0.00 H new ATOM 0 HA GLU B 113 25.484 -8.227 -3.220 1.00 0.00 H new ATOM 0 HB2 GLU B 113 27.611 -9.432 -1.465 1.00 0.00 H new ATOM 0 HB3 GLU B 113 25.996 -10.112 -1.477 1.00 0.00 H new ATOM 0 HG2 GLU B 113 26.431 -9.966 -4.173 1.00 0.00 H new ATOM 0 HG3 GLU B 113 28.087 -10.143 -3.626 1.00 0.00 H new ATOM 1067 N ASP B 114 25.952 -7.290 -0.048 1.00 0.00 N ATOM 1068 CA ASP B 114 25.271 -6.850 1.175 1.00 0.00 C ATOM 1069 C ASP B 114 24.251 -5.761 0.880 1.00 0.00 C ATOM 1070 O ASP B 114 23.117 -5.799 1.366 1.00 0.00 O ATOM 1071 CB ASP B 114 26.275 -6.317 2.210 1.00 0.00 C ATOM 1072 CG ASP B 114 26.543 -7.339 3.304 1.00 0.00 C ATOM 1073 OD1 ASP B 114 27.074 -8.425 3.000 1.00 0.00 O ATOM 1074 OD2 ASP B 114 26.226 -7.072 4.488 1.00 0.00 O ATOM 0 H ASP B 114 26.970 -7.263 0.018 1.00 0.00 H new ATOM 0 HA ASP B 114 24.760 -7.723 1.580 1.00 0.00 H new ATOM 0 HB2 ASP B 114 27.211 -6.061 1.713 1.00 0.00 H new ATOM 0 HB3 ASP B 114 25.889 -5.400 2.654 1.00 0.00 H new ATOM 1079 N LEU B 115 24.665 -4.772 0.092 1.00 0.00 N ATOM 1080 CA LEU B 115 23.826 -3.655 -0.275 1.00 0.00 C ATOM 1081 C LEU B 115 22.734 -4.105 -1.262 1.00 0.00 C ATOM 1082 O LEU B 115 21.579 -3.706 -1.100 1.00 0.00 O ATOM 1083 CB LEU B 115 24.714 -2.472 -0.742 1.00 0.00 C ATOM 1084 CG LEU B 115 24.845 -2.314 -2.266 1.00 0.00 C ATOM 1085 CD1 LEU B 115 23.593 -1.639 -2.845 1.00 0.00 C ATOM 1086 CD2 LEU B 115 26.108 -1.551 -2.656 1.00 0.00 C ATOM 0 H LEU B 115 25.602 -4.731 -0.309 1.00 0.00 H new ATOM 0 HA LEU B 115 23.272 -3.277 0.584 1.00 0.00 H new ATOM 0 HB2 LEU B 115 24.307 -1.548 -0.331 1.00 0.00 H new ATOM 0 HB3 LEU B 115 25.711 -2.597 -0.319 1.00 0.00 H new ATOM 0 HG LEU B 115 24.932 -3.313 -2.694 1.00 0.00 H new ATOM 0 HD11 LEU B 115 23.702 -1.535 -3.925 1.00 0.00 H new ATOM 0 HD12 LEU B 115 22.717 -2.249 -2.626 1.00 0.00 H new ATOM 0 HD13 LEU B 115 23.470 -0.653 -2.396 1.00 0.00 H new ATOM 0 HD21 LEU B 115 26.159 -1.463 -3.741 1.00 0.00 H new ATOM 0 HD22 LEU B 115 26.084 -0.556 -2.212 1.00 0.00 H new ATOM 0 HD23 LEU B 115 26.984 -2.088 -2.294 1.00 0.00 H new ATOM 1098 N GLN B 116 23.051 -4.936 -2.258 1.00 0.00 N ATOM 1099 CA GLN B 116 22.102 -5.415 -3.258 1.00 0.00 C ATOM 1100 C GLN B 116 21.021 -6.281 -2.613 1.00 0.00 C ATOM 1101 O GLN B 116 19.859 -6.219 -3.018 1.00 0.00 O ATOM 1102 CB GLN B 116 22.857 -6.160 -4.363 1.00 0.00 C ATOM 1103 CG GLN B 116 21.934 -6.547 -5.515 1.00 0.00 C ATOM 1104 CD GLN B 116 22.731 -7.234 -6.611 1.00 0.00 C ATOM 1105 OE1 GLN B 116 22.934 -8.445 -6.556 1.00 0.00 O ATOM 1106 NE2 GLN B 116 23.216 -6.491 -7.592 1.00 0.00 N ATOM 0 H GLN B 116 23.994 -5.300 -2.392 1.00 0.00 H new ATOM 0 HA GLN B 116 21.591 -4.565 -3.710 1.00 0.00 H new ATOM 0 HB2 GLN B 116 23.665 -5.532 -4.739 1.00 0.00 H new ATOM 0 HB3 GLN B 116 23.317 -7.057 -3.948 1.00 0.00 H new ATOM 0 HG2 GLN B 116 21.148 -7.211 -5.155 1.00 0.00 H new ATOM 0 HG3 GLN B 116 21.443 -5.659 -5.913 1.00 0.00 H new ATOM 0 HE21 GLN B 116 23.031 -5.488 -7.611 1.00 0.00 H new ATOM 0 HE22 GLN B 116 23.775 -6.921 -8.329 1.00 0.00 H new ATOM 1115 N LYS B 117 21.365 -7.050 -1.577 1.00 0.00 N ATOM 1116 CA LYS B 117 20.404 -7.890 -0.872 1.00 0.00 C ATOM 1117 C LYS B 117 19.324 -6.994 -0.275 1.00 0.00 C ATOM 1118 O LYS B 117 18.154 -7.364 -0.272 1.00 0.00 O ATOM 1119 CB LYS B 117 21.109 -8.796 0.150 1.00 0.00 C ATOM 1120 CG LYS B 117 21.392 -10.185 -0.447 1.00 0.00 C ATOM 1121 CD LYS B 117 22.364 -10.229 -1.637 1.00 0.00 C ATOM 1122 CE LYS B 117 22.439 -11.612 -2.290 1.00 0.00 C ATOM 1123 NZ LYS B 117 21.207 -11.984 -3.018 1.00 0.00 N ATOM 0 H LYS B 117 22.314 -7.105 -1.207 1.00 0.00 H new ATOM 0 HA LYS B 117 19.913 -8.579 -1.559 1.00 0.00 H new ATOM 0 HB2 LYS B 117 22.045 -8.335 0.466 1.00 0.00 H new ATOM 0 HB3 LYS B 117 20.488 -8.898 1.040 1.00 0.00 H new ATOM 0 HG2 LYS B 117 21.789 -10.823 0.343 1.00 0.00 H new ATOM 0 HG3 LYS B 117 20.444 -10.621 -0.763 1.00 0.00 H new ATOM 0 HD2 LYS B 117 22.053 -9.497 -2.382 1.00 0.00 H new ATOM 0 HD3 LYS B 117 23.358 -9.937 -1.299 1.00 0.00 H new ATOM 0 HE2 LYS B 117 23.282 -11.634 -2.981 1.00 0.00 H new ATOM 0 HE3 LYS B 117 22.638 -12.359 -1.521 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 21.364 -12.874 -3.534 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 20.428 -12.109 -2.341 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 20.962 -11.231 -3.693 1.00 0.00 H new ATOM 1137 N ARG B 118 19.666 -5.794 0.208 1.00 0.00 N ATOM 1138 CA ARG B 118 18.647 -4.894 0.740 1.00 0.00 C ATOM 1139 C ARG B 118 17.746 -4.456 -0.418 1.00 0.00 C ATOM 1140 O ARG B 118 16.538 -4.373 -0.219 1.00 0.00 O ATOM 1141 CB ARG B 118 19.281 -3.700 1.478 1.00 0.00 C ATOM 1142 CG ARG B 118 19.546 -4.014 2.953 1.00 0.00 C ATOM 1143 CD ARG B 118 18.249 -3.938 3.764 1.00 0.00 C ATOM 1144 NE ARG B 118 18.418 -4.534 5.091 1.00 0.00 N ATOM 1145 CZ ARG B 118 17.456 -4.757 5.984 1.00 0.00 C ATOM 1146 NH1 ARG B 118 16.202 -4.377 5.763 1.00 0.00 N ATOM 1147 NH2 ARG B 118 17.765 -5.340 7.137 1.00 0.00 N ATOM 0 H ARG B 118 20.619 -5.433 0.240 1.00 0.00 H new ATOM 0 HA ARG B 118 18.042 -5.411 1.485 1.00 0.00 H new ATOM 0 HB2 ARG B 118 20.218 -3.428 0.991 1.00 0.00 H new ATOM 0 HB3 ARG B 118 18.621 -2.836 1.404 1.00 0.00 H new ATOM 0 HG2 ARG B 118 19.981 -5.009 3.046 1.00 0.00 H new ATOM 0 HG3 ARG B 118 20.274 -3.309 3.355 1.00 0.00 H new ATOM 0 HD2 ARG B 118 17.942 -2.897 3.866 1.00 0.00 H new ATOM 0 HD3 ARG B 118 17.452 -4.455 3.229 1.00 0.00 H new ATOM 0 HE ARG B 118 19.365 -4.805 5.357 1.00 0.00 H new ATOM 0 HH11 ARG B 118 15.959 -3.903 4.893 1.00 0.00 H new ATOM 0 HH12 ARG B 118 15.483 -4.559 6.463 1.00 0.00 H new ATOM 0 HH21 ARG B 118 18.729 -5.611 7.329 1.00 0.00 H new ATOM 0 HH22 ARG B 118 17.038 -5.517 7.830 1.00 0.00 H new ATOM 1161 N LEU B 119 18.302 -4.201 -1.611 1.00 0.00 N ATOM 1162 CA LEU B 119 17.555 -3.786 -2.803 1.00 0.00 C ATOM 1163 C LEU B 119 16.496 -4.825 -3.158 1.00 0.00 C ATOM 1164 O LEU B 119 15.321 -4.487 -3.287 1.00 0.00 O ATOM 1165 CB LEU B 119 18.522 -3.576 -3.994 1.00 0.00 C ATOM 1166 CG LEU B 119 18.084 -2.492 -4.999 1.00 0.00 C ATOM 1167 CD1 LEU B 119 19.205 -2.278 -6.018 1.00 0.00 C ATOM 1168 CD2 LEU B 119 16.789 -2.839 -5.735 1.00 0.00 C ATOM 0 H LEU B 119 19.306 -4.280 -1.776 1.00 0.00 H new ATOM 0 HA LEU B 119 17.054 -2.842 -2.588 1.00 0.00 H new ATOM 0 HB2 LEU B 119 19.505 -3.314 -3.604 1.00 0.00 H new ATOM 0 HB3 LEU B 119 18.632 -4.521 -4.526 1.00 0.00 H new ATOM 0 HG LEU B 119 17.888 -1.583 -4.429 1.00 0.00 H new ATOM 0 HD11 LEU B 119 18.905 -1.513 -6.734 1.00 0.00 H new ATOM 0 HD12 LEU B 119 20.110 -1.957 -5.502 1.00 0.00 H new ATOM 0 HD13 LEU B 119 19.400 -3.212 -6.546 1.00 0.00 H new ATOM 0 HD21 LEU B 119 16.537 -2.035 -6.427 1.00 0.00 H new ATOM 0 HD22 LEU B 119 16.924 -3.767 -6.291 1.00 0.00 H new ATOM 0 HD23 LEU B 119 15.982 -2.963 -5.013 1.00 0.00 H new ATOM 1180 N LEU B 120 16.899 -6.093 -3.263 1.00 0.00 N ATOM 1181 CA LEU B 120 15.972 -7.162 -3.610 1.00 0.00 C ATOM 1182 C LEU B 120 14.960 -7.388 -2.491 1.00 0.00 C ATOM 1183 O LEU B 120 13.804 -7.661 -2.791 1.00 0.00 O ATOM 1184 CB LEU B 120 16.716 -8.437 -4.044 1.00 0.00 C ATOM 1185 CG LEU B 120 17.097 -9.413 -2.915 1.00 0.00 C ATOM 1186 CD1 LEU B 120 16.017 -10.459 -2.617 1.00 0.00 C ATOM 1187 CD2 LEU B 120 18.394 -10.137 -3.271 1.00 0.00 C ATOM 0 H LEU B 120 17.860 -6.400 -3.112 1.00 0.00 H new ATOM 0 HA LEU B 120 15.395 -6.855 -4.482 1.00 0.00 H new ATOM 0 HB2 LEU B 120 16.094 -8.970 -4.764 1.00 0.00 H new ATOM 0 HB3 LEU B 120 17.627 -8.143 -4.566 1.00 0.00 H new ATOM 0 HG LEU B 120 17.217 -8.805 -2.018 1.00 0.00 H new ATOM 0 HD11 LEU B 120 16.355 -11.111 -1.812 1.00 0.00 H new ATOM 0 HD12 LEU B 120 15.097 -9.957 -2.316 1.00 0.00 H new ATOM 0 HD13 LEU B 120 15.830 -11.054 -3.511 1.00 0.00 H new ATOM 0 HD21 LEU B 120 18.658 -10.826 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU B 120 18.257 -10.695 -4.198 1.00 0.00 H new ATOM 0 HD23 LEU B 120 19.194 -9.408 -3.401 1.00 0.00 H new ATOM 1199 N ALA B 121 15.351 -7.250 -1.217 1.00 0.00 N ATOM 1200 CA ALA B 121 14.450 -7.434 -0.081 1.00 0.00 C ATOM 1201 C ALA B 121 13.383 -6.336 -0.052 1.00 0.00 C ATOM 1202 O ALA B 121 12.271 -6.562 0.427 1.00 0.00 O ATOM 1203 CB ALA B 121 15.240 -7.452 1.230 1.00 0.00 C ATOM 0 H ALA B 121 16.305 -7.007 -0.949 1.00 0.00 H new ATOM 0 HA ALA B 121 13.947 -8.394 -0.194 1.00 0.00 H new ATOM 0 HB1 ALA B 121 14.554 -7.590 2.066 1.00 0.00 H new ATOM 0 HB2 ALA B 121 15.958 -8.272 1.211 1.00 0.00 H new ATOM 0 HB3 ALA B 121 15.771 -6.507 1.348 1.00 0.00 H new ATOM 1209 N LEU B 122 13.718 -5.149 -0.564 1.00 0.00 N ATOM 1210 CA LEU B 122 12.843 -3.989 -0.659 1.00 0.00 C ATOM 1211 C LEU B 122 11.673 -4.307 -1.597 1.00 0.00 C ATOM 1212 O LEU B 122 10.595 -3.721 -1.452 1.00 0.00 O ATOM 1213 CB LEU B 122 13.638 -2.755 -1.148 1.00 0.00 C ATOM 1214 CG LEU B 122 13.741 -1.576 -0.167 1.00 0.00 C ATOM 1215 CD1 LEU B 122 12.381 -0.921 0.058 1.00 0.00 C ATOM 1216 CD2 LEU B 122 14.380 -1.962 1.173 1.00 0.00 C ATOM 0 H LEU B 122 14.649 -4.967 -0.939 1.00 0.00 H new ATOM 0 HA LEU B 122 12.441 -3.753 0.327 1.00 0.00 H new ATOM 0 HB2 LEU B 122 14.648 -3.078 -1.402 1.00 0.00 H new ATOM 0 HB3 LEU B 122 13.178 -2.395 -2.068 1.00 0.00 H new ATOM 0 HG LEU B 122 14.406 -0.852 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU B 122 12.488 -0.091 0.756 1.00 0.00 H new ATOM 0 HD12 LEU B 122 11.995 -0.549 -0.891 1.00 0.00 H new ATOM 0 HD13 LEU B 122 11.688 -1.654 0.470 1.00 0.00 H new ATOM 0 HD21 LEU B 122 14.424 -1.086 1.821 1.00 0.00 H new ATOM 0 HD22 LEU B 122 13.782 -2.738 1.651 1.00 0.00 H new ATOM 0 HD23 LEU B 122 15.389 -2.337 1.000 1.00 0.00 H new ATOM 1228 N ASP B 123 11.864 -5.199 -2.577 1.00 0.00 N ATOM 1229 CA ASP B 123 10.818 -5.563 -3.529 1.00 0.00 C ATOM 1230 C ASP B 123 9.604 -6.211 -2.852 1.00 0.00 C ATOM 1231 O ASP B 123 8.538 -5.595 -2.899 1.00 0.00 O ATOM 1232 CB ASP B 123 11.360 -6.377 -4.713 1.00 0.00 C ATOM 1233 CG ASP B 123 12.188 -5.493 -5.637 1.00 0.00 C ATOM 1234 OD1 ASP B 123 11.629 -4.510 -6.178 1.00 0.00 O ATOM 1235 OD2 ASP B 123 13.414 -5.706 -5.736 1.00 0.00 O ATOM 0 H ASP B 123 12.748 -5.685 -2.729 1.00 0.00 H new ATOM 0 HA ASP B 123 10.450 -4.630 -3.956 1.00 0.00 H new ATOM 0 HB2 ASP B 123 11.971 -7.201 -4.345 1.00 0.00 H new ATOM 0 HB3 ASP B 123 10.532 -6.817 -5.268 1.00 0.00 H new ATOM 1240 N PRO B 124 9.716 -7.381 -2.189 1.00 0.00 N ATOM 1241 CA PRO B 124 8.581 -8.015 -1.533 1.00 0.00 C ATOM 1242 C PRO B 124 8.134 -7.242 -0.285 1.00 0.00 C ATOM 1243 O PRO B 124 7.027 -7.484 0.193 1.00 0.00 O ATOM 1244 CB PRO B 124 9.042 -9.433 -1.183 1.00 0.00 C ATOM 1245 CG PRO B 124 10.541 -9.266 -0.978 1.00 0.00 C ATOM 1246 CD PRO B 124 10.889 -8.225 -2.039 1.00 0.00 C ATOM 0 HA PRO B 124 7.709 -8.030 -2.187 1.00 0.00 H new ATOM 0 HB2 PRO B 124 8.551 -9.807 -0.284 1.00 0.00 H new ATOM 0 HB3 PRO B 124 8.820 -10.138 -1.984 1.00 0.00 H new ATOM 0 HG2 PRO B 124 10.780 -8.920 0.028 1.00 0.00 H new ATOM 0 HG3 PRO B 124 11.081 -10.201 -1.130 1.00 0.00 H new ATOM 0 HD2 PRO B 124 11.754 -7.636 -1.735 1.00 0.00 H new ATOM 0 HD3 PRO B 124 11.145 -8.705 -2.984 1.00 0.00 H new ATOM 1254 N MET B 125 8.967 -6.339 0.257 1.00 0.00 N ATOM 1255 CA MET B 125 8.607 -5.567 1.439 1.00 0.00 C ATOM 1256 C MET B 125 7.392 -4.704 1.139 1.00 0.00 C ATOM 1257 O MET B 125 6.381 -4.848 1.808 1.00 0.00 O ATOM 1258 CB MET B 125 9.766 -4.656 1.885 1.00 0.00 C ATOM 1259 CG MET B 125 10.805 -5.360 2.755 1.00 0.00 C ATOM 1260 SD MET B 125 10.602 -5.118 4.540 1.00 0.00 S ATOM 1261 CE MET B 125 8.955 -5.821 4.809 1.00 0.00 C ATOM 0 H MET B 125 9.895 -6.131 -0.112 1.00 0.00 H new ATOM 0 HA MET B 125 8.383 -6.270 2.242 1.00 0.00 H new ATOM 0 HB2 MET B 125 10.260 -4.253 1.001 1.00 0.00 H new ATOM 0 HB3 MET B 125 9.358 -3.809 2.436 1.00 0.00 H new ATOM 0 HG2 MET B 125 10.771 -6.429 2.542 1.00 0.00 H new ATOM 0 HG3 MET B 125 11.796 -5.009 2.467 1.00 0.00 H new ATOM 0 HE1 MET B 125 8.737 -5.840 5.877 1.00 0.00 H new ATOM 0 HE2 MET B 125 8.211 -5.210 4.298 1.00 0.00 H new ATOM 0 HE3 MET B 125 8.924 -6.837 4.414 1.00 0.00 H new ATOM 1271 N MET B 126 7.470 -3.838 0.127 1.00 0.00 N ATOM 1272 CA MET B 126 6.344 -2.977 -0.213 1.00 0.00 C ATOM 1273 C MET B 126 5.244 -3.801 -0.864 1.00 0.00 C ATOM 1274 O MET B 126 4.080 -3.562 -0.587 1.00 0.00 O ATOM 1275 CB MET B 126 6.819 -1.848 -1.138 1.00 0.00 C ATOM 1276 CG MET B 126 5.713 -1.050 -1.855 1.00 0.00 C ATOM 1277 SD MET B 126 6.218 -0.183 -3.364 1.00 0.00 S ATOM 1278 CE MET B 126 6.381 -1.603 -4.482 1.00 0.00 C ATOM 0 H MET B 126 8.293 -3.717 -0.464 1.00 0.00 H new ATOM 0 HA MET B 126 5.937 -2.526 0.692 1.00 0.00 H new ATOM 0 HB2 MET B 126 7.418 -1.152 -0.551 1.00 0.00 H new ATOM 0 HB3 MET B 126 7.477 -2.277 -1.893 1.00 0.00 H new ATOM 0 HG2 MET B 126 4.902 -1.734 -2.106 1.00 0.00 H new ATOM 0 HG3 MET B 126 5.308 -0.318 -1.156 1.00 0.00 H new ATOM 0 HE1 MET B 126 7.330 -1.540 -5.014 1.00 0.00 H new ATOM 0 HE2 MET B 126 6.350 -2.527 -3.904 1.00 0.00 H new ATOM 0 HE3 MET B 126 5.561 -1.596 -5.200 1.00 0.00 H new ATOM 1288 N GLU B 127 5.584 -4.765 -1.715 1.00 0.00 N ATOM 1289 CA GLU B 127 4.589 -5.577 -2.398 1.00 0.00 C ATOM 1290 C GLU B 127 3.588 -6.217 -1.441 1.00 0.00 C ATOM 1291 O GLU B 127 2.393 -6.062 -1.681 1.00 0.00 O ATOM 1292 CB GLU B 127 5.271 -6.623 -3.268 1.00 0.00 C ATOM 1293 CG GLU B 127 4.239 -7.506 -3.975 1.00 0.00 C ATOM 1294 CD GLU B 127 4.871 -8.178 -5.177 1.00 0.00 C ATOM 1295 OE1 GLU B 127 5.878 -8.903 -5.002 1.00 0.00 O ATOM 1296 OE2 GLU B 127 4.408 -7.881 -6.308 1.00 0.00 O ATOM 0 H GLU B 127 6.549 -5.002 -1.947 1.00 0.00 H new ATOM 0 HA GLU B 127 4.010 -4.910 -3.037 1.00 0.00 H new ATOM 0 HB2 GLU B 127 5.902 -6.130 -4.008 1.00 0.00 H new ATOM 0 HB3 GLU B 127 5.925 -7.242 -2.654 1.00 0.00 H new ATOM 0 HG2 GLU B 127 3.858 -8.259 -3.285 1.00 0.00 H new ATOM 0 HG3 GLU B 127 3.387 -6.903 -4.291 1.00 0.00 H new ATOM 1303 N GLN B 128 4.046 -6.903 -0.392 1.00 0.00 N ATOM 1304 CA GLN B 128 3.140 -7.544 0.550 1.00 0.00 C ATOM 1305 C GLN B 128 2.263 -6.507 1.243 1.00 0.00 C ATOM 1306 O GLN B 128 1.055 -6.691 1.335 1.00 0.00 O ATOM 1307 CB GLN B 128 3.948 -8.377 1.551 1.00 0.00 C ATOM 1308 CG GLN B 128 3.067 -9.118 2.570 1.00 0.00 C ATOM 1309 CD GLN B 128 2.582 -8.247 3.730 1.00 0.00 C ATOM 1310 OE1 GLN B 128 3.344 -7.464 4.292 1.00 0.00 O ATOM 1311 NE2 GLN B 128 1.320 -8.341 4.119 1.00 0.00 N ATOM 0 H GLN B 128 5.036 -7.026 -0.178 1.00 0.00 H new ATOM 0 HA GLN B 128 2.471 -8.216 0.013 1.00 0.00 H new ATOM 0 HB2 GLN B 128 4.552 -9.103 1.006 1.00 0.00 H new ATOM 0 HB3 GLN B 128 4.639 -7.724 2.084 1.00 0.00 H new ATOM 0 HG2 GLN B 128 2.201 -9.530 2.053 1.00 0.00 H new ATOM 0 HG3 GLN B 128 3.628 -9.961 2.973 1.00 0.00 H new ATOM 0 HE21 GLN B 128 0.689 -8.992 3.651 1.00 0.00 H new ATOM 0 HE22 GLN B 128 0.979 -7.763 4.887 1.00 0.00 H new ATOM 1320 N GLU B 129 2.861 -5.420 1.724 1.00 0.00 N ATOM 1321 CA GLU B 129 2.129 -4.362 2.411 1.00 0.00 C ATOM 1322 C GLU B 129 1.023 -3.808 1.507 1.00 0.00 C ATOM 1323 O GLU B 129 -0.113 -3.649 1.947 1.00 0.00 O ATOM 1324 CB GLU B 129 3.061 -3.211 2.820 1.00 0.00 C ATOM 1325 CG GLU B 129 4.334 -3.603 3.586 1.00 0.00 C ATOM 1326 CD GLU B 129 4.373 -3.181 5.049 1.00 0.00 C ATOM 1327 OE1 GLU B 129 3.373 -3.373 5.774 1.00 0.00 O ATOM 1328 OE2 GLU B 129 5.459 -2.738 5.508 1.00 0.00 O ATOM 0 H GLU B 129 3.864 -5.249 1.648 1.00 0.00 H new ATOM 0 HA GLU B 129 1.692 -4.798 3.310 1.00 0.00 H new ATOM 0 HB2 GLU B 129 3.356 -2.674 1.919 1.00 0.00 H new ATOM 0 HB3 GLU B 129 2.493 -2.513 3.435 1.00 0.00 H new ATOM 0 HG2 GLU B 129 4.449 -4.686 3.535 1.00 0.00 H new ATOM 0 HG3 GLU B 129 5.193 -3.166 3.077 1.00 0.00 H new ATOM 1335 N ILE B 130 1.356 -3.511 0.247 1.00 0.00 N ATOM 1336 CA ILE B 130 0.455 -2.969 -0.745 1.00 0.00 C ATOM 1337 C ILE B 130 -0.626 -3.985 -1.038 1.00 0.00 C ATOM 1338 O ILE B 130 -1.786 -3.614 -0.934 1.00 0.00 O ATOM 1339 CB ILE B 130 1.246 -2.592 -2.027 1.00 0.00 C ATOM 1340 CG1 ILE B 130 1.862 -1.180 -1.973 1.00 0.00 C ATOM 1341 CG2 ILE B 130 0.385 -2.619 -3.312 1.00 0.00 C ATOM 1342 CD1 ILE B 130 2.515 -0.705 -0.679 1.00 0.00 C ATOM 0 H ILE B 130 2.300 -3.651 -0.112 1.00 0.00 H new ATOM 0 HA ILE B 130 -0.017 -2.061 -0.369 1.00 0.00 H new ATOM 0 HB ILE B 130 2.022 -3.356 -2.062 1.00 0.00 H new ATOM 0 HG12 ILE B 130 2.612 -1.118 -2.762 1.00 0.00 H new ATOM 0 HG13 ILE B 130 1.076 -0.468 -2.225 1.00 0.00 H new ATOM 0 HG21 ILE B 130 1.001 -2.346 -4.169 1.00 0.00 H new ATOM 0 HG22 ILE B 130 -0.017 -3.621 -3.459 1.00 0.00 H new ATOM 0 HG23 ILE B 130 -0.436 -1.909 -3.215 1.00 0.00 H new ATOM 0 HD11 ILE B 130 2.896 0.307 -0.814 1.00 0.00 H new ATOM 0 HD12 ILE B 130 1.778 -0.711 0.124 1.00 0.00 H new ATOM 0 HD13 ILE B 130 3.338 -1.371 -0.421 1.00 0.00 H new ATOM 1354 N GLU B 131 -0.280 -5.221 -1.413 1.00 0.00 N ATOM 1355 CA GLU B 131 -1.266 -6.237 -1.744 1.00 0.00 C ATOM 1356 C GLU B 131 -2.228 -6.418 -0.578 1.00 0.00 C ATOM 1357 O GLU B 131 -3.430 -6.491 -0.811 1.00 0.00 O ATOM 1358 CB GLU B 131 -0.609 -7.504 -2.327 1.00 0.00 C ATOM 1359 CG GLU B 131 -0.236 -8.631 -1.350 1.00 0.00 C ATOM 1360 CD GLU B 131 -1.392 -9.571 -0.983 1.00 0.00 C ATOM 1361 OE1 GLU B 131 -2.480 -9.493 -1.593 1.00 0.00 O ATOM 1362 OE2 GLU B 131 -1.162 -10.475 -0.150 1.00 0.00 O ATOM 0 H GLU B 131 0.687 -5.537 -1.493 1.00 0.00 H new ATOM 0 HA GLU B 131 -1.900 -5.912 -2.569 1.00 0.00 H new ATOM 0 HB2 GLU B 131 -1.285 -7.919 -3.074 1.00 0.00 H new ATOM 0 HB3 GLU B 131 0.298 -7.201 -2.851 1.00 0.00 H new ATOM 0 HG2 GLU B 131 0.569 -9.221 -1.788 1.00 0.00 H new ATOM 0 HG3 GLU B 131 0.156 -8.186 -0.436 1.00 0.00 H new ATOM 1369 N GLU B 132 -1.729 -6.380 0.658 1.00 0.00 N ATOM 1370 CA GLU B 132 -2.551 -6.511 1.845 1.00 0.00 C ATOM 1371 C GLU B 132 -3.485 -5.293 1.931 1.00 0.00 C ATOM 1372 O GLU B 132 -4.676 -5.484 2.170 1.00 0.00 O ATOM 1373 CB GLU B 132 -1.669 -6.749 3.081 1.00 0.00 C ATOM 1374 CG GLU B 132 -2.503 -7.085 4.324 1.00 0.00 C ATOM 1375 CD GLU B 132 -1.641 -7.475 5.531 1.00 0.00 C ATOM 1376 OE1 GLU B 132 -1.008 -6.604 6.173 1.00 0.00 O ATOM 1377 OE2 GLU B 132 -1.705 -8.641 5.982 1.00 0.00 O ATOM 0 H GLU B 132 -0.736 -6.256 0.857 1.00 0.00 H new ATOM 0 HA GLU B 132 -3.195 -7.389 1.795 1.00 0.00 H new ATOM 0 HB2 GLU B 132 -0.974 -7.564 2.879 1.00 0.00 H new ATOM 0 HB3 GLU B 132 -1.070 -5.860 3.276 1.00 0.00 H new ATOM 0 HG2 GLU B 132 -3.119 -6.225 4.586 1.00 0.00 H new ATOM 0 HG3 GLU B 132 -3.183 -7.904 4.089 1.00 0.00 H new ATOM 1384 N ILE B 133 -3.027 -4.052 1.684 1.00 0.00 N ATOM 1385 CA ILE B 133 -3.910 -2.883 1.735 1.00 0.00 C ATOM 1386 C ILE B 133 -4.969 -3.027 0.628 1.00 0.00 C ATOM 1387 O ILE B 133 -6.153 -2.735 0.831 1.00 0.00 O ATOM 1388 CB ILE B 133 -3.159 -1.537 1.569 1.00 0.00 C ATOM 1389 CG1 ILE B 133 -2.194 -1.193 2.716 1.00 0.00 C ATOM 1390 CG2 ILE B 133 -4.190 -0.390 1.512 1.00 0.00 C ATOM 1391 CD1 ILE B 133 -1.234 -0.064 2.338 1.00 0.00 C ATOM 0 H ILE B 133 -2.058 -3.838 1.449 1.00 0.00 H new ATOM 0 HA ILE B 133 -4.368 -2.857 2.724 1.00 0.00 H new ATOM 0 HB ILE B 133 -2.572 -1.647 0.657 1.00 0.00 H new ATOM 0 HG12 ILE B 133 -2.767 -0.902 3.597 1.00 0.00 H new ATOM 0 HG13 ILE B 133 -1.622 -2.080 2.987 1.00 0.00 H new ATOM 0 HG21 ILE B 133 -3.670 0.561 1.395 1.00 0.00 H new ATOM 0 HG22 ILE B 133 -4.859 -0.544 0.666 1.00 0.00 H new ATOM 0 HG23 ILE B 133 -4.770 -0.376 2.435 1.00 0.00 H new ATOM 0 HD11 ILE B 133 -0.571 0.146 3.177 1.00 0.00 H new ATOM 0 HD12 ILE B 133 -0.642 -0.364 1.474 1.00 0.00 H new ATOM 0 HD13 ILE B 133 -1.804 0.832 2.093 1.00 0.00 H new ATOM 1403 N ARG B 134 -4.558 -3.434 -0.576 1.00 0.00 N ATOM 1404 CA ARG B 134 -5.481 -3.585 -1.693 1.00 0.00 C ATOM 1405 C ARG B 134 -6.521 -4.625 -1.343 1.00 0.00 C ATOM 1406 O ARG B 134 -7.703 -4.353 -1.507 1.00 0.00 O ATOM 1407 CB ARG B 134 -4.756 -3.909 -3.004 1.00 0.00 C ATOM 1408 CG ARG B 134 -3.701 -2.842 -3.336 1.00 0.00 C ATOM 1409 CD ARG B 134 -3.464 -2.688 -4.824 1.00 0.00 C ATOM 1410 NE ARG B 134 -4.578 -2.027 -5.517 1.00 0.00 N ATOM 1411 CZ ARG B 134 -4.570 -1.728 -6.819 1.00 0.00 C ATOM 1412 NH1 ARG B 134 -3.553 -2.095 -7.593 1.00 0.00 N ATOM 1413 NH2 ARG B 134 -5.587 -1.057 -7.341 1.00 0.00 N ATOM 0 H ARG B 134 -3.589 -3.664 -0.798 1.00 0.00 H new ATOM 0 HA ARG B 134 -5.982 -2.632 -1.864 1.00 0.00 H new ATOM 0 HB2 ARG B 134 -4.277 -4.885 -2.926 1.00 0.00 H new ATOM 0 HB3 ARG B 134 -5.480 -3.973 -3.816 1.00 0.00 H new ATOM 0 HG2 ARG B 134 -4.018 -1.884 -2.923 1.00 0.00 H new ATOM 0 HG3 ARG B 134 -2.762 -3.104 -2.849 1.00 0.00 H new ATOM 0 HD2 ARG B 134 -2.552 -2.113 -4.983 1.00 0.00 H new ATOM 0 HD3 ARG B 134 -3.302 -3.672 -5.264 1.00 0.00 H new ATOM 0 HE ARG B 134 -5.405 -1.782 -4.973 1.00 0.00 H new ATOM 0 HH11 ARG B 134 -2.768 -2.610 -7.194 1.00 0.00 H new ATOM 0 HH12 ARG B 134 -3.558 -1.861 -8.586 1.00 0.00 H new ATOM 0 HH21 ARG B 134 -6.368 -0.773 -6.749 1.00 0.00 H new ATOM 0 HH22 ARG B 134 -5.589 -0.825 -8.334 1.00 0.00 H new ATOM 1427 N GLN B 135 -6.112 -5.779 -0.829 1.00 0.00 N ATOM 1428 CA GLN B 135 -7.016 -6.851 -0.436 1.00 0.00 C ATOM 1429 C GLN B 135 -7.980 -6.352 0.635 1.00 0.00 C ATOM 1430 O GLN B 135 -9.198 -6.504 0.490 1.00 0.00 O ATOM 1431 CB GLN B 135 -6.214 -8.050 0.089 1.00 0.00 C ATOM 1432 CG GLN B 135 -5.584 -8.852 -1.051 1.00 0.00 C ATOM 1433 CD GLN B 135 -6.635 -9.626 -1.827 1.00 0.00 C ATOM 1434 OE1 GLN B 135 -7.104 -10.673 -1.384 1.00 0.00 O ATOM 1435 NE2 GLN B 135 -7.063 -9.129 -2.975 1.00 0.00 N ATOM 0 H GLN B 135 -5.128 -5.999 -0.672 1.00 0.00 H new ATOM 0 HA GLN B 135 -7.590 -7.168 -1.306 1.00 0.00 H new ATOM 0 HB2 GLN B 135 -5.432 -7.698 0.762 1.00 0.00 H new ATOM 0 HB3 GLN B 135 -6.868 -8.698 0.672 1.00 0.00 H new ATOM 0 HG2 GLN B 135 -5.055 -8.177 -1.724 1.00 0.00 H new ATOM 0 HG3 GLN B 135 -4.845 -9.543 -0.647 1.00 0.00 H new ATOM 0 HE21 GLN B 135 -6.667 -8.260 -3.334 1.00 0.00 H new ATOM 0 HE22 GLN B 135 -7.789 -9.615 -3.502 1.00 0.00 H new ATOM 1444 N LYS B 136 -7.447 -5.714 1.679 1.00 0.00 N ATOM 1445 CA LYS B 136 -8.225 -5.192 2.789 1.00 0.00 C ATOM 1446 C LYS B 136 -9.291 -4.221 2.306 1.00 0.00 C ATOM 1447 O LYS B 136 -10.486 -4.463 2.511 1.00 0.00 O ATOM 1448 CB LYS B 136 -7.299 -4.706 3.933 1.00 0.00 C ATOM 1449 CG LYS B 136 -6.909 -3.225 4.067 1.00 0.00 C ATOM 1450 CD LYS B 136 -6.032 -2.919 5.298 1.00 0.00 C ATOM 1451 CE LYS B 136 -4.874 -3.903 5.530 1.00 0.00 C ATOM 1452 NZ LYS B 136 -3.945 -3.456 6.594 1.00 0.00 N ATOM 0 H LYS B 136 -6.445 -5.546 1.772 1.00 0.00 H new ATOM 0 HA LYS B 136 -8.806 -5.990 3.252 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -7.772 -4.997 4.871 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -6.372 -5.274 3.855 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -6.376 -2.917 3.168 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -7.817 -2.624 4.121 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -5.621 -1.915 5.192 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -6.666 -2.912 6.185 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -5.280 -4.879 5.795 1.00 0.00 H new ATOM 0 HE3 LYS B 136 -4.320 -4.030 4.600 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 -3.185 -4.156 6.708 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 -3.533 -2.538 6.332 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -4.464 -3.360 7.490 1.00 0.00 H new ATOM 1466 N TYR B 137 -8.913 -3.129 1.643 1.00 0.00 N ATOM 1467 CA TYR B 137 -9.904 -2.167 1.184 1.00 0.00 C ATOM 1468 C TYR B 137 -10.766 -2.726 0.053 1.00 0.00 C ATOM 1469 O TYR B 137 -11.915 -2.306 -0.066 1.00 0.00 O ATOM 1470 CB TYR B 137 -9.255 -0.826 0.846 1.00 0.00 C ATOM 1471 CG TYR B 137 -8.853 -0.027 2.077 1.00 0.00 C ATOM 1472 CD1 TYR B 137 -9.813 0.416 3.011 1.00 0.00 C ATOM 1473 CD2 TYR B 137 -7.503 0.287 2.284 1.00 0.00 C ATOM 1474 CE1 TYR B 137 -9.418 1.185 4.122 1.00 0.00 C ATOM 1475 CE2 TYR B 137 -7.096 1.056 3.386 1.00 0.00 C ATOM 1476 CZ TYR B 137 -8.057 1.520 4.308 1.00 0.00 C ATOM 1477 OH TYR B 137 -7.690 2.288 5.370 1.00 0.00 O ATOM 0 H TYR B 137 -7.947 -2.894 1.417 1.00 0.00 H new ATOM 0 HA TYR B 137 -10.594 -1.977 2.007 1.00 0.00 H new ATOM 0 HB2 TYR B 137 -8.373 -1.002 0.231 1.00 0.00 H new ATOM 0 HB3 TYR B 137 -9.948 -0.235 0.248 1.00 0.00 H new ATOM 0 HD1 TYR B 137 -10.854 0.164 2.873 1.00 0.00 H new ATOM 0 HD2 TYR B 137 -6.762 -0.069 1.583 1.00 0.00 H new ATOM 0 HE1 TYR B 137 -10.157 1.520 4.835 1.00 0.00 H new ATOM 0 HE2 TYR B 137 -6.051 1.291 3.527 1.00 0.00 H new ATOM 0 HH TYR B 137 -6.720 2.426 5.354 1.00 0.00 H new ATOM 1487 N GLN B 138 -10.286 -3.665 -0.767 1.00 0.00 N ATOM 1488 CA GLN B 138 -11.094 -4.243 -1.839 1.00 0.00 C ATOM 1489 C GLN B 138 -12.237 -5.019 -1.195 1.00 0.00 C ATOM 1490 O GLN B 138 -13.382 -4.853 -1.599 1.00 0.00 O ATOM 1491 CB GLN B 138 -10.259 -5.146 -2.763 1.00 0.00 C ATOM 1492 CG GLN B 138 -11.095 -5.759 -3.893 1.00 0.00 C ATOM 1493 CD GLN B 138 -11.378 -7.250 -3.743 1.00 0.00 C ATOM 1494 OE1 GLN B 138 -12.640 -7.638 -3.710 1.00 0.00 O flip ATOM 1495 NE2 GLN B 138 -10.464 -8.073 -3.704 1.00 0.00 N flip ATOM 0 H GLN B 138 -9.339 -4.040 -0.707 1.00 0.00 H new ATOM 0 HA GLN B 138 -11.487 -3.446 -2.470 1.00 0.00 H new ATOM 0 HB2 GLN B 138 -9.442 -4.566 -3.193 1.00 0.00 H new ATOM 0 HB3 GLN B 138 -9.807 -5.945 -2.175 1.00 0.00 H new ATOM 0 HG2 GLN B 138 -12.045 -5.227 -3.953 1.00 0.00 H new ATOM 0 HG3 GLN B 138 -10.578 -5.595 -4.838 1.00 0.00 H new ATOM 0 HE21 GLN B 138 -9.494 -7.759 -3.730 1.00 0.00 H new ATOM 0 HE22 GLN B 138 -10.677 -9.069 -3.645 1.00 0.00 H new ATOM 1504 N SER B 139 -11.949 -5.816 -0.167 1.00 0.00 N ATOM 1505 CA SER B 139 -12.951 -6.593 0.556 1.00 0.00 C ATOM 1506 C SER B 139 -13.989 -5.627 1.125 1.00 0.00 C ATOM 1507 O SER B 139 -15.172 -5.945 1.160 1.00 0.00 O ATOM 1508 CB SER B 139 -12.281 -7.459 1.628 1.00 0.00 C ATOM 1509 OG SER B 139 -11.294 -8.276 1.015 1.00 0.00 O ATOM 0 H SER B 139 -11.002 -5.941 0.190 1.00 0.00 H new ATOM 0 HA SER B 139 -13.465 -7.286 -0.111 1.00 0.00 H new ATOM 0 HB2 SER B 139 -11.826 -6.828 2.391 1.00 0.00 H new ATOM 0 HB3 SER B 139 -13.024 -8.079 2.129 1.00 0.00 H new ATOM 0 HG SER B 139 -10.493 -7.741 0.835 1.00 0.00 H new ATOM 1515 N LYS B 140 -13.577 -4.427 1.553 1.00 0.00 N ATOM 1516 CA LYS B 140 -14.504 -3.422 2.059 1.00 0.00 C ATOM 1517 C LYS B 140 -15.285 -2.743 0.935 1.00 0.00 C ATOM 1518 O LYS B 140 -16.401 -2.305 1.202 1.00 0.00 O ATOM 1519 CB LYS B 140 -13.789 -2.408 2.962 1.00 0.00 C ATOM 1520 CG LYS B 140 -13.649 -2.997 4.373 1.00 0.00 C ATOM 1521 CD LYS B 140 -13.750 -1.929 5.474 1.00 0.00 C ATOM 1522 CE LYS B 140 -12.471 -1.116 5.679 1.00 0.00 C ATOM 1523 NZ LYS B 140 -11.691 -1.608 6.831 1.00 0.00 N ATOM 0 H LYS B 140 -12.600 -4.133 1.556 1.00 0.00 H new ATOM 0 HA LYS B 140 -15.240 -3.940 2.675 1.00 0.00 H new ATOM 0 HB2 LYS B 140 -12.806 -2.171 2.555 1.00 0.00 H new ATOM 0 HB3 LYS B 140 -14.352 -1.476 2.999 1.00 0.00 H new ATOM 0 HG2 LYS B 140 -14.425 -3.747 4.528 1.00 0.00 H new ATOM 0 HG3 LYS B 140 -12.690 -3.508 4.455 1.00 0.00 H new ATOM 0 HD2 LYS B 140 -14.565 -1.248 5.230 1.00 0.00 H new ATOM 0 HD3 LYS B 140 -14.012 -2.416 6.413 1.00 0.00 H new ATOM 0 HE2 LYS B 140 -11.860 -1.165 4.778 1.00 0.00 H new ATOM 0 HE3 LYS B 140 -12.727 -0.068 5.834 1.00 0.00 H new ATOM 0 HZ1 LYS B 140 -10.831 -1.033 6.939 1.00 0.00 H new ATOM 0 HZ2 LYS B 140 -12.266 -1.537 7.695 1.00 0.00 H new ATOM 0 HZ3 LYS B 140 -11.426 -2.601 6.672 1.00 0.00 H new ATOM 1537 N ARG B 141 -14.742 -2.626 -0.283 1.00 0.00 N ATOM 1538 CA ARG B 141 -15.392 -2.010 -1.447 1.00 0.00 C ATOM 1539 C ARG B 141 -16.406 -2.961 -2.076 1.00 0.00 C ATOM 1540 O ARG B 141 -17.489 -2.556 -2.468 1.00 0.00 O ATOM 1541 CB ARG B 141 -14.340 -1.633 -2.511 1.00 0.00 C ATOM 1542 CG ARG B 141 -14.932 -0.766 -3.640 1.00 0.00 C ATOM 1543 CD ARG B 141 -14.083 -0.782 -4.916 1.00 0.00 C ATOM 1544 NE ARG B 141 -12.754 -0.190 -4.713 1.00 0.00 N ATOM 1545 CZ ARG B 141 -12.255 0.880 -5.339 1.00 0.00 C ATOM 1546 NH1 ARG B 141 -12.816 1.381 -6.439 1.00 0.00 N ATOM 1547 NH2 ARG B 141 -11.187 1.460 -4.813 1.00 0.00 N ATOM 0 H ARG B 141 -13.805 -2.970 -0.493 1.00 0.00 H new ATOM 0 HA ARG B 141 -15.908 -1.115 -1.100 1.00 0.00 H new ATOM 0 HB2 ARG B 141 -13.521 -1.094 -2.034 1.00 0.00 H new ATOM 0 HB3 ARG B 141 -13.917 -2.542 -2.938 1.00 0.00 H new ATOM 0 HG2 ARG B 141 -15.936 -1.120 -3.874 1.00 0.00 H new ATOM 0 HG3 ARG B 141 -15.030 0.261 -3.288 1.00 0.00 H new ATOM 0 HD2 ARG B 141 -13.971 -1.810 -5.261 1.00 0.00 H new ATOM 0 HD3 ARG B 141 -14.604 -0.236 -5.703 1.00 0.00 H new ATOM 0 HE ARG B 141 -12.151 -0.641 -4.025 1.00 0.00 H new ATOM 0 HH11 ARG B 141 -13.653 0.946 -6.828 1.00 0.00 H new ATOM 0 HH12 ARG B 141 -12.409 2.199 -6.892 1.00 0.00 H new ATOM 0 HH21 ARG B 141 -10.773 1.088 -3.958 1.00 0.00 H new ATOM 0 HH22 ARG B 141 -10.778 2.279 -5.263 1.00 0.00 H new ATOM 1561 N GLN B 142 -16.066 -4.234 -2.153 1.00 0.00 N ATOM 1562 CA GLN B 142 -16.857 -5.310 -2.723 1.00 0.00 C ATOM 1563 C GLN B 142 -18.336 -5.275 -2.294 1.00 0.00 C ATOM 1564 O GLN B 142 -19.186 -5.218 -3.176 1.00 0.00 O ATOM 1565 CB GLN B 142 -16.131 -6.642 -2.476 1.00 0.00 C ATOM 1566 CG GLN B 142 -16.699 -7.782 -3.324 1.00 0.00 C ATOM 1567 CD GLN B 142 -16.551 -7.484 -4.813 1.00 0.00 C ATOM 1568 OE1 GLN B 142 -17.617 -7.064 -5.473 1.00 0.00 O flip ATOM 1569 NE2 GLN B 142 -15.448 -7.529 -5.353 1.00 0.00 N flip ATOM 0 H GLN B 142 -15.170 -4.566 -1.795 1.00 0.00 H new ATOM 0 HA GLN B 142 -16.931 -5.177 -3.802 1.00 0.00 H new ATOM 0 HB2 GLN B 142 -15.071 -6.521 -2.698 1.00 0.00 H new ATOM 0 HB3 GLN B 142 -16.208 -6.904 -1.421 1.00 0.00 H new ATOM 0 HG2 GLN B 142 -16.183 -8.711 -3.083 1.00 0.00 H new ATOM 0 HG3 GLN B 142 -17.751 -7.930 -3.082 1.00 0.00 H new ATOM 0 HE21 GLN B 142 -14.636 -7.856 -4.829 1.00 0.00 H new ATOM 0 HE22 GLN B 142 -15.344 -7.240 -6.326 1.00 0.00 H new ATOM 1578 N PRO B 143 -18.699 -5.231 -1.001 1.00 0.00 N ATOM 1579 CA PRO B 143 -20.100 -5.180 -0.595 1.00 0.00 C ATOM 1580 C PRO B 143 -20.791 -3.866 -0.987 1.00 0.00 C ATOM 1581 O PRO B 143 -22.018 -3.806 -0.960 1.00 0.00 O ATOM 1582 CB PRO B 143 -20.083 -5.337 0.924 1.00 0.00 C ATOM 1583 CG PRO B 143 -18.718 -4.800 1.317 1.00 0.00 C ATOM 1584 CD PRO B 143 -17.852 -5.290 0.172 1.00 0.00 C ATOM 0 HA PRO B 143 -20.668 -5.963 -1.098 1.00 0.00 H new ATOM 0 HB2 PRO B 143 -20.888 -4.773 1.395 1.00 0.00 H new ATOM 0 HB3 PRO B 143 -20.206 -6.378 1.222 1.00 0.00 H new ATOM 0 HG2 PRO B 143 -18.714 -3.713 1.397 1.00 0.00 H new ATOM 0 HG3 PRO B 143 -18.385 -5.192 2.278 1.00 0.00 H new ATOM 0 HD2 PRO B 143 -16.969 -4.663 0.051 1.00 0.00 H new ATOM 0 HD3 PRO B 143 -17.500 -6.306 0.352 1.00 0.00 H new ATOM 1592 N ILE B 144 -20.035 -2.801 -1.261 1.00 0.00 N ATOM 1593 CA ILE B 144 -20.533 -1.491 -1.659 1.00 0.00 C ATOM 1594 C ILE B 144 -20.997 -1.594 -3.110 1.00 0.00 C ATOM 1595 O ILE B 144 -22.147 -1.274 -3.412 1.00 0.00 O ATOM 1596 CB ILE B 144 -19.445 -0.400 -1.478 1.00 0.00 C ATOM 1597 CG1 ILE B 144 -18.790 -0.465 -0.088 1.00 0.00 C ATOM 1598 CG2 ILE B 144 -20.068 0.983 -1.701 1.00 0.00 C ATOM 1599 CD1 ILE B 144 -17.700 0.591 0.111 1.00 0.00 C ATOM 0 H ILE B 144 -19.017 -2.833 -1.208 1.00 0.00 H new ATOM 0 HA ILE B 144 -21.369 -1.193 -1.026 1.00 0.00 H new ATOM 0 HB ILE B 144 -18.662 -0.580 -2.215 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -19.557 -0.335 0.675 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -18.359 -1.456 0.058 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -19.305 1.751 -1.574 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -20.476 1.040 -2.710 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -20.867 1.143 -0.977 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -17.277 0.493 1.111 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -16.915 0.448 -0.631 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -18.131 1.585 -0.005 1.00 0.00 H new ATOM 1611 N LEU B 145 -20.118 -2.075 -3.998 1.00 0.00 N ATOM 1612 CA LEU B 145 -20.450 -2.223 -5.411 1.00 0.00 C ATOM 1613 C LEU B 145 -21.598 -3.212 -5.555 1.00 0.00 C ATOM 1614 O LEU B 145 -22.535 -2.977 -6.310 1.00 0.00 O ATOM 1615 CB LEU B 145 -19.214 -2.535 -6.274 1.00 0.00 C ATOM 1616 CG LEU B 145 -18.680 -3.965 -6.321 1.00 0.00 C ATOM 1617 CD1 LEU B 145 -19.345 -4.764 -7.445 1.00 0.00 C ATOM 1618 CD2 LEU B 145 -17.155 -3.911 -6.513 1.00 0.00 C ATOM 0 H LEU B 145 -19.171 -2.367 -3.757 1.00 0.00 H new ATOM 0 HA LEU B 145 -20.800 -1.270 -5.808 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -19.444 -2.237 -7.297 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -18.403 -1.893 -5.930 1.00 0.00 H new ATOM 0 HG LEU B 145 -18.914 -4.473 -5.385 1.00 0.00 H new ATOM 0 HD11 LEU B 145 -18.946 -5.778 -7.456 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -20.422 -4.799 -7.279 1.00 0.00 H new ATOM 0 HD13 LEU B 145 -19.141 -4.284 -8.402 1.00 0.00 H new ATOM 0 HD21 LEU B 145 -16.757 -4.925 -6.549 1.00 0.00 H new ATOM 0 HD22 LEU B 145 -16.924 -3.397 -7.446 1.00 0.00 H new ATOM 0 HD23 LEU B 145 -16.702 -3.373 -5.680 1.00 0.00 H new ATOM 1630 N ASP B 146 -21.554 -4.280 -4.763 1.00 0.00 N ATOM 1631 CA ASP B 146 -22.565 -5.322 -4.756 1.00 0.00 C ATOM 1632 C ASP B 146 -23.929 -4.787 -4.295 1.00 0.00 C ATOM 1633 O ASP B 146 -24.964 -5.347 -4.648 1.00 0.00 O ATOM 1634 CB ASP B 146 -22.034 -6.461 -3.884 1.00 0.00 C ATOM 1635 CG ASP B 146 -22.884 -7.722 -3.875 1.00 0.00 C ATOM 1636 OD1 ASP B 146 -23.412 -8.114 -4.946 1.00 0.00 O ATOM 1637 OD2 ASP B 146 -22.924 -8.332 -2.780 1.00 0.00 O ATOM 0 H ASP B 146 -20.799 -4.444 -4.097 1.00 0.00 H new ATOM 0 HA ASP B 146 -22.746 -5.696 -5.764 1.00 0.00 H new ATOM 0 HB2 ASP B 146 -21.032 -6.721 -4.225 1.00 0.00 H new ATOM 0 HB3 ASP B 146 -21.939 -6.099 -2.860 1.00 0.00 H new ATOM 1642 N ALA B 147 -23.935 -3.728 -3.476 1.00 0.00 N ATOM 1643 CA ALA B 147 -25.127 -3.074 -2.959 1.00 0.00 C ATOM 1644 C ALA B 147 -25.721 -2.101 -3.980 1.00 0.00 C ATOM 1645 O ALA B 147 -26.923 -2.163 -4.223 1.00 0.00 O ATOM 1646 CB ALA B 147 -24.819 -2.354 -1.641 1.00 0.00 C ATOM 0 H ALA B 147 -23.073 -3.292 -3.147 1.00 0.00 H new ATOM 0 HA ALA B 147 -25.872 -3.846 -2.767 1.00 0.00 H new ATOM 0 HB1 ALA B 147 -25.723 -1.871 -1.270 1.00 0.00 H new ATOM 0 HB2 ALA B 147 -24.466 -3.077 -0.905 1.00 0.00 H new ATOM 0 HB3 ALA B 147 -24.049 -1.601 -1.809 1.00 0.00 H new ATOM 1652 N ILE B 148 -24.940 -1.191 -4.577 1.00 0.00 N ATOM 1653 CA ILE B 148 -25.499 -0.239 -5.549 1.00 0.00 C ATOM 1654 C ILE B 148 -26.061 -0.936 -6.776 1.00 0.00 C ATOM 1655 O ILE B 148 -27.056 -0.472 -7.324 1.00 0.00 O ATOM 1656 CB ILE B 148 -24.490 0.846 -5.956 1.00 0.00 C ATOM 1657 CG1 ILE B 148 -25.123 1.929 -6.848 1.00 0.00 C ATOM 1658 CG2 ILE B 148 -23.208 0.274 -6.565 1.00 0.00 C ATOM 1659 CD1 ILE B 148 -24.349 3.252 -6.805 1.00 0.00 C ATOM 0 H ILE B 148 -23.939 -1.093 -4.410 1.00 0.00 H new ATOM 0 HA ILE B 148 -26.325 0.256 -5.039 1.00 0.00 H new ATOM 0 HB ILE B 148 -24.191 1.335 -5.029 1.00 0.00 H new ATOM 0 HG12 ILE B 148 -25.165 1.570 -7.876 1.00 0.00 H new ATOM 0 HG13 ILE B 148 -26.151 2.103 -6.529 1.00 0.00 H new ATOM 0 HG21 ILE B 148 -22.536 1.090 -6.832 1.00 0.00 H new ATOM 0 HG22 ILE B 148 -22.719 -0.376 -5.839 1.00 0.00 H new ATOM 0 HG23 ILE B 148 -23.454 -0.300 -7.458 1.00 0.00 H new ATOM 0 HD11 ILE B 148 -24.838 3.981 -7.451 1.00 0.00 H new ATOM 0 HD12 ILE B 148 -24.330 3.629 -5.783 1.00 0.00 H new ATOM 0 HD13 ILE B 148 -23.328 3.088 -7.150 1.00 0.00 H new ATOM 1671 N GLU B 149 -25.448 -2.041 -7.203 1.00 0.00 N ATOM 1672 CA GLU B 149 -25.941 -2.761 -8.367 1.00 0.00 C ATOM 1673 C GLU B 149 -27.305 -3.397 -8.060 1.00 0.00 C ATOM 1674 O GLU B 149 -27.978 -3.871 -8.972 1.00 0.00 O ATOM 1675 CB GLU B 149 -24.897 -3.752 -8.907 1.00 0.00 C ATOM 1676 CG GLU B 149 -23.656 -3.051 -9.499 1.00 0.00 C ATOM 1677 CD GLU B 149 -23.991 -1.978 -10.538 1.00 0.00 C ATOM 1678 OE1 GLU B 149 -24.520 -2.313 -11.623 1.00 0.00 O ATOM 1679 OE2 GLU B 149 -23.728 -0.782 -10.273 1.00 0.00 O ATOM 0 H GLU B 149 -24.622 -2.448 -6.765 1.00 0.00 H new ATOM 0 HA GLU B 149 -26.104 -2.054 -9.181 1.00 0.00 H new ATOM 0 HB2 GLU B 149 -24.584 -4.417 -8.102 1.00 0.00 H new ATOM 0 HB3 GLU B 149 -25.357 -4.375 -9.674 1.00 0.00 H new ATOM 0 HG2 GLU B 149 -23.087 -2.595 -8.689 1.00 0.00 H new ATOM 0 HG3 GLU B 149 -23.011 -3.800 -9.959 1.00 0.00 H new ATOM 1686 N ALA B 150 -27.696 -3.456 -6.781 1.00 0.00 N ATOM 1687 CA ALA B 150 -28.963 -3.989 -6.313 1.00 0.00 C ATOM 1688 C ALA B 150 -30.030 -2.879 -6.224 1.00 0.00 C ATOM 1689 O ALA B 150 -31.102 -3.121 -5.666 1.00 0.00 O ATOM 1690 CB ALA B 150 -28.756 -4.679 -4.959 1.00 0.00 C ATOM 0 H ALA B 150 -27.108 -3.117 -6.020 1.00 0.00 H new ATOM 0 HA ALA B 150 -29.328 -4.726 -7.028 1.00 0.00 H new ATOM 0 HB1 ALA B 150 -29.706 -5.080 -4.606 1.00 0.00 H new ATOM 0 HB2 ALA B 150 -28.038 -5.492 -5.071 1.00 0.00 H new ATOM 0 HB3 ALA B 150 -28.376 -3.956 -4.237 1.00 0.00 H new ATOM 1696 N LYS B 151 -29.742 -1.655 -6.692 1.00 0.00 N ATOM 1697 CA LYS B 151 -30.650 -0.516 -6.677 1.00 0.00 C ATOM 1698 C LYS B 151 -30.613 0.214 -8.017 1.00 0.00 C ATOM 1699 O LYS B 151 -31.002 1.410 -8.018 1.00 0.00 O ATOM 1700 CB LYS B 151 -30.276 0.465 -5.564 1.00 0.00 C ATOM 1701 CG LYS B 151 -29.871 -0.104 -4.203 1.00 0.00 C ATOM 1702 CD LYS B 151 -29.615 1.000 -3.172 1.00 0.00 C ATOM 1703 CE LYS B 151 -30.916 1.724 -2.809 1.00 0.00 C ATOM 1704 NZ LYS B 151 -31.243 2.850 -3.720 1.00 0.00 N ATOM 0 H LYS B 151 -28.836 -1.431 -7.104 1.00 0.00 H new ATOM 0 HA LYS B 151 -31.655 -0.896 -6.496 1.00 0.00 H new ATOM 0 HB2 LYS B 151 -29.452 1.080 -5.926 1.00 0.00 H new ATOM 0 HB3 LYS B 151 -31.125 1.130 -5.407 1.00 0.00 H new ATOM 0 HG2 LYS B 151 -30.657 -0.765 -3.838 1.00 0.00 H new ATOM 0 HG3 LYS B 151 -28.972 -0.710 -4.316 1.00 0.00 H new ATOM 0 HD2 LYS B 151 -29.172 0.569 -2.274 1.00 0.00 H new ATOM 0 HD3 LYS B 151 -28.896 1.715 -3.571 1.00 0.00 H new ATOM 0 HE2 LYS B 151 -31.737 1.007 -2.822 1.00 0.00 H new ATOM 0 HE3 LYS B 151 -30.839 2.103 -1.790 1.00 0.00 H new ATOM 0 HZ1 LYS B 151 -31.077 3.752 -3.230 1.00 0.00 H new ATOM 0 HZ2 LYS B 151 -30.640 2.799 -4.565 1.00 0.00 H new ATOM 0 HZ3 LYS B 151 -32.242 2.788 -4.003 1.00 0.00 H new TER 1718 LYS B 151