USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 922 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 100 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 55 ASN : amide:sc= -0.089 K(o=0.37,f=-1.7!) USER MOD Set 2.2: A 59 TYR OH : rot -44:sc= 0.435 USER MOD Set 2.3: A 76 LYS NZ :NH3+ 176:sc= 0.0192 (180deg=0) USER MOD Set 3.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 45 ASN : amide:sc= -0.996 K(o=-1,f=-2.2) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0148) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -81:sc= -0.562 USER MOD Single : A 68 ASN : amide:sc= -2.15 K(o=-2.1,f=-3.7!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.111) USER MOD Single : A 86 ASN : amide:sc= -0.0352 X(o=-0.035,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -128:sc= -1.78 (180deg=-1.99) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.405 X(o=-0.4,f=-0.4) USER MOD Single : A 102 SER OG : rot 103:sc= 0.791 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -172:sc= -1.91 (180deg=-2.16) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -0.0437 X(o=-0.044,f=-0.45) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -134:sc= 1.01 (180deg=-0.0725) USER MOD ----------------------------------------------------------------- ATOM 94 N ILE A 6 120.060 13.433 6.892 1.00 0.00 N ATOM 95 CA ILE A 6 120.153 13.356 5.399 1.00 0.00 C ATOM 96 C ILE A 6 121.407 12.558 5.014 1.00 0.00 C ATOM 97 O ILE A 6 122.475 12.788 5.554 1.00 0.00 O ATOM 98 CB ILE A 6 120.250 14.814 4.902 1.00 0.00 C ATOM 99 CG1 ILE A 6 119.052 15.661 5.386 1.00 0.00 C ATOM 100 CG2 ILE A 6 120.316 14.859 3.368 1.00 0.00 C ATOM 101 CD1 ILE A 6 117.711 15.091 4.902 1.00 0.00 C ATOM 0 HA ILE A 6 119.294 12.855 4.953 1.00 0.00 H new ATOM 0 HB ILE A 6 121.164 15.236 5.320 1.00 0.00 H new ATOM 0 HG12 ILE A 6 119.055 15.704 6.475 1.00 0.00 H new ATOM 0 HG13 ILE A 6 119.162 16.684 5.026 1.00 0.00 H new ATOM 0 HG21 ILE A 6 120.384 15.895 3.037 1.00 0.00 H new ATOM 0 HG22 ILE A 6 121.193 14.310 3.025 1.00 0.00 H new ATOM 0 HG23 ILE A 6 119.418 14.403 2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 6 116.897 15.718 5.266 1.00 0.00 H new ATOM 0 HD12 ILE A 6 117.696 15.072 3.812 1.00 0.00 H new ATOM 0 HD13 ILE A 6 117.587 14.078 5.284 1.00 0.00 H new ATOM 113 N ILE A 7 121.272 11.633 4.091 1.00 0.00 N ATOM 114 CA ILE A 7 122.451 10.851 3.596 1.00 0.00 C ATOM 115 C ILE A 7 122.456 10.880 2.061 1.00 0.00 C ATOM 116 O ILE A 7 121.411 10.968 1.444 1.00 0.00 O ATOM 117 CB ILE A 7 122.274 9.416 4.131 1.00 0.00 C ATOM 118 CG1 ILE A 7 122.201 9.417 5.665 1.00 0.00 C ATOM 119 CG2 ILE A 7 123.466 8.544 3.711 1.00 0.00 C ATOM 120 CD1 ILE A 7 121.683 8.064 6.159 1.00 0.00 C ATOM 0 H ILE A 7 120.384 11.384 3.655 1.00 0.00 H new ATOM 0 HA ILE A 7 123.401 11.264 3.937 1.00 0.00 H new ATOM 0 HB ILE A 7 121.348 9.017 3.716 1.00 0.00 H new ATOM 0 HG12 ILE A 7 123.187 9.615 6.085 1.00 0.00 H new ATOM 0 HG13 ILE A 7 121.543 10.216 6.007 1.00 0.00 H new ATOM 0 HG21 ILE A 7 123.330 7.533 4.094 1.00 0.00 H new ATOM 0 HG22 ILE A 7 123.530 8.514 2.623 1.00 0.00 H new ATOM 0 HG23 ILE A 7 124.386 8.965 4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 7 121.633 8.069 7.248 1.00 0.00 H new ATOM 0 HD12 ILE A 7 120.688 7.884 5.751 1.00 0.00 H new ATOM 0 HD13 ILE A 7 122.358 7.274 5.831 1.00 0.00 H new ATOM 132 N GLU A 8 123.623 10.810 1.461 1.00 0.00 N ATOM 133 CA GLU A 8 123.729 10.827 -0.032 1.00 0.00 C ATOM 134 C GLU A 8 124.093 9.434 -0.555 1.00 0.00 C ATOM 135 O GLU A 8 124.858 8.720 0.070 1.00 0.00 O ATOM 136 CB GLU A 8 124.850 11.823 -0.340 1.00 0.00 C ATOM 137 CG GLU A 8 124.401 13.235 0.041 1.00 0.00 C ATOM 138 CD GLU A 8 125.490 14.238 -0.344 1.00 0.00 C ATOM 139 OE1 GLU A 8 126.488 14.296 0.355 1.00 0.00 O ATOM 140 OE2 GLU A 8 125.307 14.930 -1.332 1.00 0.00 O ATOM 0 H GLU A 8 124.516 10.741 1.950 1.00 0.00 H new ATOM 0 HA GLU A 8 122.790 11.109 -0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 8 125.750 11.555 0.213 1.00 0.00 H new ATOM 0 HB3 GLU A 8 125.103 11.785 -1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 8 123.469 13.481 -0.467 1.00 0.00 H new ATOM 0 HG3 GLU A 8 124.204 13.289 1.112 1.00 0.00 H new ATOM 147 N GLY A 9 123.546 9.056 -1.690 1.00 0.00 N ATOM 148 CA GLY A 9 123.863 7.726 -2.299 1.00 0.00 C ATOM 149 C GLY A 9 124.057 7.887 -3.809 1.00 0.00 C ATOM 150 O GLY A 9 123.466 8.761 -4.418 1.00 0.00 O ATOM 0 H GLY A 9 122.886 9.621 -2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 9 124.766 7.314 -1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 9 123.056 7.021 -2.099 1.00 0.00 H new ATOM 154 N GLU A 10 124.877 7.048 -4.403 1.00 0.00 N ATOM 155 CA GLU A 10 125.135 7.129 -5.874 1.00 0.00 C ATOM 156 C GLU A 10 124.430 5.980 -6.600 1.00 0.00 C ATOM 157 O GLU A 10 124.364 4.875 -6.092 1.00 0.00 O ATOM 158 CB GLU A 10 126.653 7.007 -6.028 1.00 0.00 C ATOM 159 CG GLU A 10 127.046 7.339 -7.469 1.00 0.00 C ATOM 160 CD GLU A 10 128.543 7.086 -7.665 1.00 0.00 C ATOM 161 OE1 GLU A 10 129.016 6.054 -7.216 1.00 0.00 O ATOM 162 OE2 GLU A 10 129.193 7.930 -8.261 1.00 0.00 O ATOM 0 H GLU A 10 125.382 6.303 -3.923 1.00 0.00 H new ATOM 0 HA GLU A 10 124.758 8.057 -6.303 1.00 0.00 H new ATOM 0 HB2 GLU A 10 127.155 7.684 -5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 10 126.975 5.997 -5.775 1.00 0.00 H new ATOM 0 HG2 GLU A 10 126.470 6.728 -8.164 1.00 0.00 H new ATOM 0 HG3 GLU A 10 126.811 8.380 -7.690 1.00 0.00 H new ATOM 169 N VAL A 11 123.909 6.245 -7.779 1.00 0.00 N ATOM 170 CA VAL A 11 123.193 5.190 -8.577 1.00 0.00 C ATOM 171 C VAL A 11 124.186 4.086 -8.974 1.00 0.00 C ATOM 172 O VAL A 11 125.183 4.362 -9.617 1.00 0.00 O ATOM 173 CB VAL A 11 122.635 5.892 -9.836 1.00 0.00 C ATOM 174 CG1 VAL A 11 121.854 4.899 -10.710 1.00 0.00 C ATOM 175 CG2 VAL A 11 121.690 7.040 -9.449 1.00 0.00 C ATOM 0 H VAL A 11 123.950 7.160 -8.228 1.00 0.00 H new ATOM 0 HA VAL A 11 122.389 4.728 -8.004 1.00 0.00 H new ATOM 0 HB VAL A 11 123.486 6.286 -10.391 1.00 0.00 H new ATOM 0 HG11 VAL A 11 121.470 5.414 -11.591 1.00 0.00 H new ATOM 0 HG12 VAL A 11 122.515 4.090 -11.022 1.00 0.00 H new ATOM 0 HG13 VAL A 11 121.022 4.487 -10.139 1.00 0.00 H new ATOM 0 HG21 VAL A 11 121.310 7.519 -10.352 1.00 0.00 H new ATOM 0 HG22 VAL A 11 120.856 6.645 -8.869 1.00 0.00 H new ATOM 0 HG23 VAL A 11 122.233 7.772 -8.851 1.00 0.00 H new ATOM 185 N VAL A 12 123.910 2.860 -8.596 1.00 0.00 N ATOM 186 CA VAL A 12 124.770 1.705 -9.014 1.00 0.00 C ATOM 187 C VAL A 12 123.921 0.646 -9.726 1.00 0.00 C ATOM 188 O VAL A 12 122.786 0.409 -9.351 1.00 0.00 O ATOM 189 CB VAL A 12 125.405 1.140 -7.731 1.00 0.00 C ATOM 190 CG1 VAL A 12 126.318 2.196 -7.102 1.00 0.00 C ATOM 191 CG2 VAL A 12 124.336 0.731 -6.707 1.00 0.00 C ATOM 0 H VAL A 12 123.116 2.607 -8.008 1.00 0.00 H new ATOM 0 HA VAL A 12 125.544 2.017 -9.715 1.00 0.00 H new ATOM 0 HB VAL A 12 125.979 0.255 -8.004 1.00 0.00 H new ATOM 0 HG11 VAL A 12 126.767 1.794 -6.194 1.00 0.00 H new ATOM 0 HG12 VAL A 12 127.104 2.464 -7.808 1.00 0.00 H new ATOM 0 HG13 VAL A 12 125.733 3.083 -6.856 1.00 0.00 H new ATOM 0 HG21 VAL A 12 124.820 0.336 -5.814 1.00 0.00 H new ATOM 0 HG22 VAL A 12 123.736 1.601 -6.440 1.00 0.00 H new ATOM 0 HG23 VAL A 12 123.692 -0.035 -7.139 1.00 0.00 H new ATOM 201 N SER A 13 124.472 0.019 -10.742 1.00 0.00 N ATOM 202 CA SER A 13 123.710 -1.011 -11.519 1.00 0.00 C ATOM 203 C SER A 13 123.866 -2.389 -10.869 1.00 0.00 C ATOM 204 O SER A 13 124.969 -2.811 -10.570 1.00 0.00 O ATOM 205 CB SER A 13 124.326 -1.013 -12.919 1.00 0.00 C ATOM 206 OG SER A 13 123.573 -1.872 -13.763 1.00 0.00 O ATOM 0 H SER A 13 125.425 0.180 -11.067 1.00 0.00 H new ATOM 0 HA SER A 13 122.644 -0.786 -11.548 1.00 0.00 H new ATOM 0 HB2 SER A 13 124.336 -0.002 -13.326 1.00 0.00 H new ATOM 0 HB3 SER A 13 125.362 -1.348 -12.872 1.00 0.00 H new ATOM 0 HG SER A 13 123.965 -1.874 -14.661 1.00 0.00 H new ATOM 486 N PHE A 31 103.239 -4.857 0.879 1.00 0.00 N ATOM 487 CA PHE A 31 103.842 -3.513 0.585 1.00 0.00 C ATOM 488 C PHE A 31 102.771 -2.418 0.678 1.00 0.00 C ATOM 489 O PHE A 31 103.012 -1.372 1.254 1.00 0.00 O ATOM 490 CB PHE A 31 104.413 -3.598 -0.839 1.00 0.00 C ATOM 491 CG PHE A 31 105.851 -4.063 -0.890 1.00 0.00 C ATOM 492 CD1 PHE A 31 106.836 -3.446 -0.055 1.00 0.00 C ATOM 493 CD2 PHE A 31 106.229 -5.117 -1.776 1.00 0.00 C ATOM 494 CE1 PHE A 31 108.194 -3.886 -0.106 1.00 0.00 C ATOM 495 CE2 PHE A 31 107.587 -5.557 -1.828 1.00 0.00 C ATOM 496 CZ PHE A 31 108.570 -4.942 -0.992 1.00 0.00 C ATOM 0 HA PHE A 31 104.622 -3.260 1.303 1.00 0.00 H new ATOM 0 HB2 PHE A 31 103.799 -4.280 -1.427 1.00 0.00 H new ATOM 0 HB3 PHE A 31 104.341 -2.617 -1.309 1.00 0.00 H new ATOM 0 HD1 PHE A 31 106.552 -2.647 0.614 1.00 0.00 H new ATOM 0 HD2 PHE A 31 105.487 -5.582 -2.408 1.00 0.00 H new ATOM 0 HE1 PHE A 31 108.937 -3.420 0.525 1.00 0.00 H new ATOM 0 HE2 PHE A 31 107.871 -6.354 -2.499 1.00 0.00 H new ATOM 0 HZ PHE A 31 109.597 -5.275 -1.030 1.00 0.00 H new ATOM 506 N LYS A 32 101.607 -2.659 0.121 1.00 0.00 N ATOM 507 CA LYS A 32 100.492 -1.653 0.193 1.00 0.00 C ATOM 508 C LYS A 32 100.021 -1.466 1.639 1.00 0.00 C ATOM 509 O LYS A 32 99.583 -0.390 2.006 1.00 0.00 O ATOM 510 CB LYS A 32 99.353 -2.208 -0.672 1.00 0.00 C ATOM 511 CG LYS A 32 98.292 -1.125 -0.877 1.00 0.00 C ATOM 512 CD LYS A 32 97.147 -1.686 -1.724 1.00 0.00 C ATOM 513 CE LYS A 32 96.146 -0.570 -2.033 1.00 0.00 C ATOM 514 NZ LYS A 32 95.341 -1.083 -3.177 1.00 0.00 N ATOM 0 H LYS A 32 101.378 -3.515 -0.384 1.00 0.00 H new ATOM 0 HA LYS A 32 100.823 -0.677 -0.163 1.00 0.00 H new ATOM 0 HB2 LYS A 32 99.742 -2.538 -1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 32 98.909 -3.080 -0.192 1.00 0.00 H new ATOM 0 HG2 LYS A 32 97.913 -0.785 0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 32 98.732 -0.258 -1.370 1.00 0.00 H new ATOM 0 HD2 LYS A 32 97.538 -2.105 -2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 32 96.650 -2.497 -1.192 1.00 0.00 H new ATOM 0 HE2 LYS A 32 95.515 -0.355 -1.171 1.00 0.00 H new ATOM 0 HE3 LYS A 32 96.656 0.357 -2.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 94.631 -0.373 -3.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 95.968 -1.272 -3.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 94.862 -1.963 -2.897 1.00 0.00 H new ATOM 528 N LYS A 33 100.102 -2.500 2.444 1.00 0.00 N ATOM 529 CA LYS A 33 99.712 -2.382 3.888 1.00 0.00 C ATOM 530 C LYS A 33 100.706 -1.494 4.645 1.00 0.00 C ATOM 531 O LYS A 33 100.307 -0.696 5.475 1.00 0.00 O ATOM 532 CB LYS A 33 99.722 -3.805 4.458 1.00 0.00 C ATOM 533 CG LYS A 33 99.083 -3.807 5.849 1.00 0.00 C ATOM 534 CD LYS A 33 99.155 -5.215 6.443 1.00 0.00 C ATOM 535 CE LYS A 33 98.386 -5.252 7.765 1.00 0.00 C ATOM 536 NZ LYS A 33 98.456 -6.671 8.211 1.00 0.00 N ATOM 0 H LYS A 33 100.423 -3.426 2.162 1.00 0.00 H new ATOM 0 HA LYS A 33 98.729 -1.923 3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 33 99.176 -4.477 3.795 1.00 0.00 H new ATOM 0 HB3 LYS A 33 100.745 -4.177 4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 33 99.599 -3.100 6.499 1.00 0.00 H new ATOM 0 HG3 LYS A 33 98.045 -3.481 5.784 1.00 0.00 H new ATOM 0 HD2 LYS A 33 98.733 -5.938 5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 33 100.194 -5.499 6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 33 98.834 -4.584 8.501 1.00 0.00 H new ATOM 0 HE3 LYS A 33 97.353 -4.931 7.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 97.950 -6.777 9.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 98.016 -7.282 7.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 99.451 -6.946 8.338 1.00 0.00 H new ATOM 550 N ILE A 34 101.982 -1.630 4.361 1.00 0.00 N ATOM 551 CA ILE A 34 103.027 -0.867 5.122 1.00 0.00 C ATOM 552 C ILE A 34 103.133 0.558 4.561 1.00 0.00 C ATOM 553 O ILE A 34 103.334 1.499 5.309 1.00 0.00 O ATOM 554 CB ILE A 34 104.354 -1.634 4.946 1.00 0.00 C ATOM 555 CG1 ILE A 34 104.217 -3.079 5.444 1.00 0.00 C ATOM 556 CG2 ILE A 34 105.470 -0.959 5.754 1.00 0.00 C ATOM 557 CD1 ILE A 34 105.384 -3.912 4.911 1.00 0.00 C ATOM 0 H ILE A 34 102.347 -2.241 3.630 1.00 0.00 H new ATOM 0 HA ILE A 34 102.777 -0.784 6.180 1.00 0.00 H new ATOM 0 HB ILE A 34 104.598 -1.629 3.884 1.00 0.00 H new ATOM 0 HG12 ILE A 34 104.208 -3.101 6.534 1.00 0.00 H new ATOM 0 HG13 ILE A 34 103.270 -3.503 5.109 1.00 0.00 H new ATOM 0 HG21 ILE A 34 106.401 -1.511 5.621 1.00 0.00 H new ATOM 0 HG22 ILE A 34 105.602 0.065 5.406 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.201 -0.952 6.810 1.00 0.00 H new ATOM 0 HD11 ILE A 34 105.289 -4.939 5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 34 105.372 -3.900 3.821 1.00 0.00 H new ATOM 0 HD13 ILE A 34 106.324 -3.492 5.268 1.00 0.00 H new ATOM 569 N LEU A 35 102.999 0.710 3.263 1.00 0.00 N ATOM 570 CA LEU A 35 103.209 2.044 2.614 1.00 0.00 C ATOM 571 C LEU A 35 101.879 2.713 2.251 1.00 0.00 C ATOM 572 O LEU A 35 101.807 3.927 2.176 1.00 0.00 O ATOM 573 CB LEU A 35 103.993 1.744 1.337 1.00 0.00 C ATOM 574 CG LEU A 35 105.385 1.214 1.679 1.00 0.00 C ATOM 575 CD1 LEU A 35 105.982 0.537 0.444 1.00 0.00 C ATOM 576 CD2 LEU A 35 106.283 2.377 2.108 1.00 0.00 C ATOM 0 H LEU A 35 102.751 -0.042 2.620 1.00 0.00 H new ATOM 0 HA LEU A 35 103.729 2.727 3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 35 103.455 1.011 0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 35 104.079 2.648 0.735 1.00 0.00 H new ATOM 0 HG LEU A 35 105.313 0.493 2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 35 106.975 0.157 0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.341 -0.289 0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.055 1.261 -0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 35 107.276 1.999 2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.359 3.098 1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 35 105.855 2.864 2.984 1.00 0.00 H new ATOM 588 N GLY A 36 100.841 1.938 2.031 1.00 0.00 N ATOM 589 CA GLY A 36 99.557 2.494 1.510 1.00 0.00 C ATOM 590 C GLY A 36 99.589 2.645 -0.020 1.00 0.00 C ATOM 591 O GLY A 36 98.745 3.330 -0.571 1.00 0.00 O ATOM 0 H GLY A 36 100.833 0.931 2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 36 98.733 1.839 1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 36 99.366 3.464 1.969 1.00 0.00 H new ATOM 595 N PHE A 37 100.536 2.031 -0.707 1.00 0.00 N ATOM 596 CA PHE A 37 100.484 1.975 -2.202 1.00 0.00 C ATOM 597 C PHE A 37 101.187 0.714 -2.721 1.00 0.00 C ATOM 598 O PHE A 37 101.970 0.106 -2.013 1.00 0.00 O ATOM 599 CB PHE A 37 101.180 3.252 -2.694 1.00 0.00 C ATOM 600 CG PHE A 37 102.656 3.358 -2.365 1.00 0.00 C ATOM 601 CD1 PHE A 37 103.607 2.555 -3.071 1.00 0.00 C ATOM 602 CD2 PHE A 37 103.102 4.276 -1.366 1.00 0.00 C ATOM 603 CE1 PHE A 37 105.000 2.668 -2.774 1.00 0.00 C ATOM 604 CE2 PHE A 37 104.495 4.388 -1.067 1.00 0.00 C ATOM 605 CZ PHE A 37 105.445 3.584 -1.772 1.00 0.00 C ATOM 0 H PHE A 37 101.342 1.567 -0.289 1.00 0.00 H new ATOM 0 HA PHE A 37 99.459 1.924 -2.570 1.00 0.00 H new ATOM 0 HB2 PHE A 37 101.061 3.316 -3.776 1.00 0.00 H new ATOM 0 HB3 PHE A 37 100.667 4.113 -2.265 1.00 0.00 H new ATOM 0 HD1 PHE A 37 103.271 1.863 -3.829 1.00 0.00 H new ATOM 0 HD2 PHE A 37 102.386 4.886 -0.836 1.00 0.00 H new ATOM 0 HE1 PHE A 37 105.717 2.061 -3.307 1.00 0.00 H new ATOM 0 HE2 PHE A 37 104.830 5.080 -0.309 1.00 0.00 H new ATOM 0 HZ PHE A 37 106.498 3.669 -1.547 1.00 0.00 H new ATOM 615 N GLU A 38 100.907 0.335 -3.947 1.00 0.00 N ATOM 616 CA GLU A 38 101.562 -0.864 -4.555 1.00 0.00 C ATOM 617 C GLU A 38 102.795 -0.430 -5.369 1.00 0.00 C ATOM 618 O GLU A 38 102.622 0.149 -6.427 1.00 0.00 O ATOM 619 CB GLU A 38 100.503 -1.476 -5.477 1.00 0.00 C ATOM 620 CG GLU A 38 99.355 -2.040 -4.636 1.00 0.00 C ATOM 621 CD GLU A 38 98.082 -2.104 -5.482 1.00 0.00 C ATOM 622 OE1 GLU A 38 97.765 -1.112 -6.115 1.00 0.00 O ATOM 623 OE2 GLU A 38 97.447 -3.146 -5.483 1.00 0.00 O ATOM 0 H GLU A 38 100.244 0.813 -4.558 1.00 0.00 H new ATOM 0 HA GLU A 38 101.904 -1.575 -3.803 1.00 0.00 H new ATOM 0 HB2 GLU A 38 100.126 -0.720 -6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 38 100.946 -2.267 -6.083 1.00 0.00 H new ATOM 0 HG2 GLU A 38 99.612 -3.035 -4.272 1.00 0.00 H new ATOM 0 HG3 GLU A 38 99.190 -1.413 -3.760 1.00 0.00 H new ATOM 630 N PRO A 39 103.997 -0.707 -4.880 1.00 0.00 N ATOM 631 CA PRO A 39 105.230 -0.238 -5.583 1.00 0.00 C ATOM 632 C PRO A 39 105.388 -0.955 -6.929 1.00 0.00 C ATOM 633 O PRO A 39 104.836 -2.023 -7.129 1.00 0.00 O ATOM 634 CB PRO A 39 106.353 -0.622 -4.620 1.00 0.00 C ATOM 635 CG PRO A 39 105.800 -1.799 -3.897 1.00 0.00 C ATOM 636 CD PRO A 39 104.357 -1.467 -3.663 1.00 0.00 C ATOM 0 HA PRO A 39 105.217 0.827 -5.813 1.00 0.00 H new ATOM 0 HB2 PRO A 39 107.271 -0.872 -5.152 1.00 0.00 H new ATOM 0 HB3 PRO A 39 106.593 0.193 -3.937 1.00 0.00 H new ATOM 0 HG2 PRO A 39 105.905 -2.710 -4.487 1.00 0.00 H new ATOM 0 HG3 PRO A 39 106.324 -1.966 -2.956 1.00 0.00 H new ATOM 0 HD2 PRO A 39 103.748 -2.364 -3.551 1.00 0.00 H new ATOM 0 HD3 PRO A 39 104.219 -0.873 -2.759 1.00 0.00 H new ATOM 644 N TYR A 40 106.135 -0.369 -7.838 1.00 0.00 N ATOM 645 CA TYR A 40 106.325 -0.980 -9.195 1.00 0.00 C ATOM 646 C TYR A 40 107.268 -2.182 -9.104 1.00 0.00 C ATOM 647 O TYR A 40 107.972 -2.340 -8.120 1.00 0.00 O ATOM 648 CB TYR A 40 106.952 0.108 -10.073 1.00 0.00 C ATOM 649 CG TYR A 40 107.080 -0.288 -11.523 1.00 0.00 C ATOM 650 CD1 TYR A 40 106.017 -0.011 -12.438 1.00 0.00 C ATOM 651 CD2 TYR A 40 108.266 -0.940 -11.983 1.00 0.00 C ATOM 652 CE1 TYR A 40 106.140 -0.387 -13.812 1.00 0.00 C ATOM 653 CE2 TYR A 40 108.389 -1.316 -13.356 1.00 0.00 C ATOM 654 CZ TYR A 40 107.327 -1.039 -14.272 1.00 0.00 C ATOM 655 OH TYR A 40 107.445 -1.402 -15.597 1.00 0.00 O ATOM 0 H TYR A 40 106.625 0.514 -7.696 1.00 0.00 H new ATOM 0 HA TYR A 40 105.378 -1.330 -9.607 1.00 0.00 H new ATOM 0 HB2 TYR A 40 106.348 1.013 -10.004 1.00 0.00 H new ATOM 0 HB3 TYR A 40 107.940 0.354 -9.683 1.00 0.00 H new ATOM 0 HD1 TYR A 40 105.121 0.482 -12.091 1.00 0.00 H new ATOM 0 HD2 TYR A 40 109.070 -1.149 -11.292 1.00 0.00 H new ATOM 0 HE1 TYR A 40 105.336 -0.179 -14.503 1.00 0.00 H new ATOM 0 HE2 TYR A 40 109.285 -1.810 -13.702 1.00 0.00 H new ATOM 0 HH TYR A 40 108.313 -1.833 -15.742 1.00 0.00 H new ATOM 665 N GLU A 41 107.283 -3.017 -10.120 1.00 0.00 N ATOM 666 CA GLU A 41 108.195 -4.206 -10.115 1.00 0.00 C ATOM 667 C GLU A 41 109.613 -3.772 -10.517 1.00 0.00 C ATOM 668 O GLU A 41 110.034 -3.941 -11.649 1.00 0.00 O ATOM 669 CB GLU A 41 107.606 -5.184 -11.140 1.00 0.00 C ATOM 670 CG GLU A 41 106.252 -5.696 -10.643 1.00 0.00 C ATOM 671 CD GLU A 41 105.695 -6.728 -11.627 1.00 0.00 C ATOM 672 OE1 GLU A 41 105.774 -6.485 -12.822 1.00 0.00 O ATOM 673 OE2 GLU A 41 105.199 -7.744 -11.171 1.00 0.00 O ATOM 0 H GLU A 41 106.701 -2.925 -10.953 1.00 0.00 H new ATOM 0 HA GLU A 41 108.268 -4.669 -9.131 1.00 0.00 H new ATOM 0 HB2 GLU A 41 107.487 -4.689 -12.104 1.00 0.00 H new ATOM 0 HB3 GLU A 41 108.288 -6.020 -11.293 1.00 0.00 H new ATOM 0 HG2 GLU A 41 106.363 -6.144 -9.656 1.00 0.00 H new ATOM 0 HG3 GLU A 41 105.554 -4.865 -10.540 1.00 0.00 H new ATOM 680 N GLY A 42 110.340 -3.207 -9.578 1.00 0.00 N ATOM 681 CA GLY A 42 111.766 -2.824 -9.821 1.00 0.00 C ATOM 682 C GLY A 42 112.354 -2.225 -8.541 1.00 0.00 C ATOM 683 O GLY A 42 111.638 -2.007 -7.578 1.00 0.00 O ATOM 0 H GLY A 42 109.998 -2.993 -8.641 1.00 0.00 H new ATOM 0 HA2 GLY A 42 112.342 -3.698 -10.126 1.00 0.00 H new ATOM 0 HA3 GLY A 42 111.827 -2.102 -10.635 1.00 0.00 H new ATOM 687 N THR A 43 113.642 -1.963 -8.532 1.00 0.00 N ATOM 688 CA THR A 43 114.296 -1.352 -7.335 1.00 0.00 C ATOM 689 C THR A 43 115.297 -0.270 -7.751 1.00 0.00 C ATOM 690 O THR A 43 115.790 -0.267 -8.864 1.00 0.00 O ATOM 691 CB THR A 43 115.026 -2.491 -6.612 1.00 0.00 C ATOM 692 OG1 THR A 43 115.620 -3.376 -7.552 1.00 0.00 O ATOM 693 CG2 THR A 43 114.036 -3.257 -5.732 1.00 0.00 C ATOM 0 H THR A 43 114.271 -2.150 -9.313 1.00 0.00 H new ATOM 0 HA THR A 43 113.556 -0.876 -6.692 1.00 0.00 H new ATOM 0 HB THR A 43 115.813 -2.066 -5.989 1.00 0.00 H new ATOM 0 HG1 THR A 43 116.083 -4.096 -7.076 1.00 0.00 H new ATOM 0 HG21 THR A 43 114.556 -4.066 -5.219 1.00 0.00 H new ATOM 0 HG22 THR A 43 113.603 -2.579 -4.996 1.00 0.00 H new ATOM 0 HG23 THR A 43 113.243 -3.672 -6.353 1.00 0.00 H new ATOM 701 N LEU A 44 115.585 0.641 -6.851 1.00 0.00 N ATOM 702 CA LEU A 44 116.707 1.606 -7.046 1.00 0.00 C ATOM 703 C LEU A 44 117.830 1.253 -6.070 1.00 0.00 C ATOM 704 O LEU A 44 117.645 1.336 -4.868 1.00 0.00 O ATOM 705 CB LEU A 44 116.107 2.978 -6.720 1.00 0.00 C ATOM 706 CG LEU A 44 117.134 4.081 -6.990 1.00 0.00 C ATOM 707 CD1 LEU A 44 117.276 4.291 -8.498 1.00 0.00 C ATOM 708 CD2 LEU A 44 116.666 5.384 -6.336 1.00 0.00 C ATOM 0 H LEU A 44 115.078 0.756 -5.974 1.00 0.00 H new ATOM 0 HA LEU A 44 117.126 1.588 -8.052 1.00 0.00 H new ATOM 0 HB2 LEU A 44 115.215 3.146 -7.324 1.00 0.00 H new ATOM 0 HB3 LEU A 44 115.796 3.008 -5.676 1.00 0.00 H new ATOM 0 HG LEU A 44 118.098 3.789 -6.573 1.00 0.00 H new ATOM 0 HD11 LEU A 44 118.007 5.076 -8.689 1.00 0.00 H new ATOM 0 HD12 LEU A 44 117.609 3.364 -8.965 1.00 0.00 H new ATOM 0 HD13 LEU A 44 116.313 4.583 -8.917 1.00 0.00 H new ATOM 0 HD21 LEU A 44 117.396 6.170 -6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 44 115.702 5.675 -6.753 1.00 0.00 H new ATOM 0 HD23 LEU A 44 116.566 5.236 -5.261 1.00 0.00 H new ATOM 720 N ASN A 45 118.973 0.860 -6.580 1.00 0.00 N ATOM 721 CA ASN A 45 120.098 0.426 -5.698 1.00 0.00 C ATOM 722 C ASN A 45 121.103 1.567 -5.529 1.00 0.00 C ATOM 723 O ASN A 45 121.659 2.050 -6.500 1.00 0.00 O ATOM 724 CB ASN A 45 120.744 -0.753 -6.427 1.00 0.00 C ATOM 725 CG ASN A 45 119.888 -2.007 -6.235 1.00 0.00 C ATOM 726 OD1 ASN A 45 118.721 -2.018 -6.572 1.00 0.00 O ATOM 727 ND2 ASN A 45 120.423 -3.071 -5.702 1.00 0.00 N ATOM 0 H ASN A 45 119.174 0.822 -7.579 1.00 0.00 H new ATOM 0 HA ASN A 45 119.758 0.149 -4.700 1.00 0.00 H new ATOM 0 HB2 ASN A 45 120.843 -0.527 -7.489 1.00 0.00 H new ATOM 0 HB3 ASN A 45 121.749 -0.924 -6.043 1.00 0.00 H new ATOM 0 HD21 ASN A 45 119.861 -3.912 -5.568 1.00 0.00 H new ATOM 0 HD22 ASN A 45 121.403 -3.062 -5.419 1.00 0.00 H new ATOM 734 N LEU A 46 121.331 1.990 -4.306 1.00 0.00 N ATOM 735 CA LEU A 46 122.273 3.122 -4.043 1.00 0.00 C ATOM 736 C LEU A 46 123.424 2.667 -3.140 1.00 0.00 C ATOM 737 O LEU A 46 123.210 1.973 -2.161 1.00 0.00 O ATOM 738 CB LEU A 46 121.435 4.194 -3.344 1.00 0.00 C ATOM 739 CG LEU A 46 120.533 4.888 -4.368 1.00 0.00 C ATOM 740 CD1 LEU A 46 119.495 5.742 -3.637 1.00 0.00 C ATOM 741 CD2 LEU A 46 121.381 5.788 -5.271 1.00 0.00 C ATOM 0 H LEU A 46 120.899 1.593 -3.472 1.00 0.00 H new ATOM 0 HA LEU A 46 122.723 3.495 -4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 46 120.830 3.742 -2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 46 122.087 4.924 -2.864 1.00 0.00 H new ATOM 0 HG LEU A 46 120.028 4.135 -4.973 1.00 0.00 H new ATOM 0 HD11 LEU A 46 118.852 6.236 -4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 46 118.889 5.106 -2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 46 120.003 6.493 -3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 46 120.738 6.282 -6.000 1.00 0.00 H new ATOM 0 HD22 LEU A 46 121.886 6.540 -4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 46 122.124 5.184 -5.793 1.00 0.00 H new ATOM 753 N LYS A 47 124.630 3.060 -3.478 1.00 0.00 N ATOM 754 CA LYS A 47 125.810 2.791 -2.600 1.00 0.00 C ATOM 755 C LYS A 47 126.086 4.024 -1.733 1.00 0.00 C ATOM 756 O LYS A 47 126.090 5.135 -2.231 1.00 0.00 O ATOM 757 CB LYS A 47 126.974 2.531 -3.560 1.00 0.00 C ATOM 758 CG LYS A 47 128.203 2.066 -2.776 1.00 0.00 C ATOM 759 CD LYS A 47 129.406 1.986 -3.717 1.00 0.00 C ATOM 760 CE LYS A 47 130.603 1.395 -2.969 1.00 0.00 C ATOM 761 NZ LYS A 47 131.201 2.543 -2.232 1.00 0.00 N ATOM 0 H LYS A 47 124.848 3.563 -4.338 1.00 0.00 H new ATOM 0 HA LYS A 47 125.653 1.947 -1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 47 126.691 1.774 -4.292 1.00 0.00 H new ATOM 0 HB3 LYS A 47 127.208 3.439 -4.115 1.00 0.00 H new ATOM 0 HG2 LYS A 47 128.411 2.758 -1.960 1.00 0.00 H new ATOM 0 HG3 LYS A 47 128.014 1.091 -2.326 1.00 0.00 H new ATOM 0 HD2 LYS A 47 129.164 1.369 -4.582 1.00 0.00 H new ATOM 0 HD3 LYS A 47 129.653 2.979 -4.093 1.00 0.00 H new ATOM 0 HE2 LYS A 47 130.291 0.606 -2.285 1.00 0.00 H new ATOM 0 HE3 LYS A 47 131.321 0.952 -3.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 132.077 2.236 -1.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 131.417 3.310 -2.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 130.527 2.886 -1.518 1.00 0.00 H new ATOM 775 N LEU A 48 126.315 3.823 -0.457 1.00 0.00 N ATOM 776 CA LEU A 48 126.531 4.966 0.482 1.00 0.00 C ATOM 777 C LEU A 48 127.980 4.988 0.973 1.00 0.00 C ATOM 778 O LEU A 48 128.676 3.991 0.900 1.00 0.00 O ATOM 779 CB LEU A 48 125.593 4.720 1.664 1.00 0.00 C ATOM 780 CG LEU A 48 124.133 4.794 1.209 1.00 0.00 C ATOM 781 CD1 LEU A 48 123.229 4.289 2.335 1.00 0.00 C ATOM 782 CD2 LEU A 48 123.770 6.245 0.881 1.00 0.00 C ATOM 0 H LEU A 48 126.362 2.902 -0.022 1.00 0.00 H new ATOM 0 HA LEU A 48 126.333 5.920 -0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 48 125.796 3.742 2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 48 125.776 5.461 2.443 1.00 0.00 H new ATOM 0 HG LEU A 48 123.997 4.177 0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 48 122.188 4.340 2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 48 123.486 3.257 2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 48 123.368 4.910 3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 48 122.730 6.296 0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 48 123.904 6.863 1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 48 124.417 6.610 0.083 1.00 0.00 H new ATOM 794 N ASP A 49 128.422 6.122 1.466 1.00 0.00 N ATOM 795 CA ASP A 49 129.752 6.199 2.151 1.00 0.00 C ATOM 796 C ASP A 49 129.637 5.908 3.661 1.00 0.00 C ATOM 797 O ASP A 49 130.575 6.160 4.397 1.00 0.00 O ATOM 798 CB ASP A 49 130.274 7.625 1.896 1.00 0.00 C ATOM 799 CG ASP A 49 129.335 8.688 2.484 1.00 0.00 C ATOM 800 OD1 ASP A 49 128.170 8.686 2.123 1.00 0.00 O ATOM 801 OD2 ASP A 49 129.799 9.482 3.286 1.00 0.00 O ATOM 0 H ASP A 49 127.913 7.005 1.422 1.00 0.00 H new ATOM 0 HA ASP A 49 130.436 5.446 1.760 1.00 0.00 H new ATOM 0 HB2 ASP A 49 131.266 7.733 2.335 1.00 0.00 H new ATOM 0 HB3 ASP A 49 130.381 7.787 0.823 1.00 0.00 H new ATOM 806 N ARG A 50 128.516 5.388 4.119 1.00 0.00 N ATOM 807 CA ARG A 50 128.321 5.116 5.576 1.00 0.00 C ATOM 808 C ARG A 50 127.477 3.850 5.749 1.00 0.00 C ATOM 809 O ARG A 50 126.556 3.617 4.986 1.00 0.00 O ATOM 810 CB ARG A 50 127.566 6.332 6.122 1.00 0.00 C ATOM 811 CG ARG A 50 128.449 7.579 6.046 1.00 0.00 C ATOM 812 CD ARG A 50 127.725 8.752 6.718 1.00 0.00 C ATOM 813 NE ARG A 50 128.578 9.961 6.465 1.00 0.00 N ATOM 814 CZ ARG A 50 128.555 11.025 7.243 1.00 0.00 C ATOM 815 NH1 ARG A 50 127.768 11.132 8.290 1.00 0.00 N ATOM 816 NH2 ARG A 50 129.344 12.024 6.955 1.00 0.00 N ATOM 0 H ARG A 50 127.720 5.139 3.532 1.00 0.00 H new ATOM 0 HA ARG A 50 129.265 4.962 6.098 1.00 0.00 H new ATOM 0 HB2 ARG A 50 126.652 6.489 5.549 1.00 0.00 H new ATOM 0 HB3 ARG A 50 127.268 6.151 7.155 1.00 0.00 H new ATOM 0 HG2 ARG A 50 129.403 7.394 6.540 1.00 0.00 H new ATOM 0 HG3 ARG A 50 128.670 7.820 5.006 1.00 0.00 H new ATOM 0 HD2 ARG A 50 126.726 8.885 6.302 1.00 0.00 H new ATOM 0 HD3 ARG A 50 127.604 8.576 7.787 1.00 0.00 H new ATOM 0 HE ARG A 50 129.201 9.959 5.658 1.00 0.00 H new ATOM 0 HH11 ARG A 50 127.136 10.369 8.533 1.00 0.00 H new ATOM 0 HH12 ARG A 50 127.789 11.978 8.860 1.00 0.00 H new ATOM 0 HH21 ARG A 50 129.960 11.970 6.144 1.00 0.00 H new ATOM 0 HH22 ARG A 50 129.345 12.859 7.541 1.00 0.00 H new ATOM 830 N GLU A 51 127.788 3.043 6.740 1.00 0.00 N ATOM 831 CA GLU A 51 126.985 1.799 7.007 1.00 0.00 C ATOM 832 C GLU A 51 125.554 2.166 7.415 1.00 0.00 C ATOM 833 O GLU A 51 125.337 3.183 8.052 1.00 0.00 O ATOM 834 CB GLU A 51 127.689 1.070 8.156 1.00 0.00 C ATOM 835 CG GLU A 51 129.073 0.605 7.699 1.00 0.00 C ATOM 836 CD GLU A 51 129.742 -0.190 8.823 1.00 0.00 C ATOM 837 OE1 GLU A 51 129.560 -1.395 8.858 1.00 0.00 O ATOM 838 OE2 GLU A 51 130.425 0.422 9.628 1.00 0.00 O ATOM 0 H GLU A 51 128.568 3.193 7.380 1.00 0.00 H new ATOM 0 HA GLU A 51 126.922 1.173 6.117 1.00 0.00 H new ATOM 0 HB2 GLU A 51 127.783 1.732 9.017 1.00 0.00 H new ATOM 0 HB3 GLU A 51 127.094 0.214 8.476 1.00 0.00 H new ATOM 0 HG2 GLU A 51 128.984 -0.013 6.805 1.00 0.00 H new ATOM 0 HG3 GLU A 51 129.687 1.465 7.432 1.00 0.00 H new ATOM 845 N PHE A 52 124.595 1.346 7.051 1.00 0.00 N ATOM 846 CA PHE A 52 123.166 1.632 7.388 1.00 0.00 C ATOM 847 C PHE A 52 122.491 0.388 7.974 1.00 0.00 C ATOM 848 O PHE A 52 122.674 -0.711 7.480 1.00 0.00 O ATOM 849 CB PHE A 52 122.512 2.023 6.060 1.00 0.00 C ATOM 850 CG PHE A 52 121.070 2.451 6.205 1.00 0.00 C ATOM 851 CD1 PHE A 52 120.756 3.805 6.542 1.00 0.00 C ATOM 852 CD2 PHE A 52 120.020 1.501 6.010 1.00 0.00 C ATOM 853 CE1 PHE A 52 119.392 4.207 6.683 1.00 0.00 C ATOM 854 CE2 PHE A 52 118.657 1.903 6.152 1.00 0.00 C ATOM 855 CZ PHE A 52 118.342 3.256 6.488 1.00 0.00 C ATOM 0 H PHE A 52 124.745 0.482 6.529 1.00 0.00 H new ATOM 0 HA PHE A 52 123.074 2.420 8.136 1.00 0.00 H new ATOM 0 HB2 PHE A 52 123.081 2.836 5.609 1.00 0.00 H new ATOM 0 HB3 PHE A 52 122.565 1.177 5.374 1.00 0.00 H new ATOM 0 HD1 PHE A 52 121.549 4.523 6.690 1.00 0.00 H new ATOM 0 HD2 PHE A 52 120.257 0.479 5.755 1.00 0.00 H new ATOM 0 HE1 PHE A 52 119.154 5.229 6.937 1.00 0.00 H new ATOM 0 HE2 PHE A 52 117.864 1.184 6.005 1.00 0.00 H new ATOM 0 HZ PHE A 52 117.311 3.560 6.595 1.00 0.00 H new ATOM 865 N ASP A 53 121.720 0.568 9.023 1.00 0.00 N ATOM 866 CA ASP A 53 120.926 -0.553 9.608 1.00 0.00 C ATOM 867 C ASP A 53 119.525 -0.058 9.977 1.00 0.00 C ATOM 868 O ASP A 53 119.384 0.928 10.677 1.00 0.00 O ATOM 869 CB ASP A 53 121.698 -0.975 10.860 1.00 0.00 C ATOM 870 CG ASP A 53 121.125 -2.287 11.403 1.00 0.00 C ATOM 871 OD1 ASP A 53 120.876 -3.178 10.608 1.00 0.00 O ATOM 872 OD2 ASP A 53 120.948 -2.378 12.606 1.00 0.00 O ATOM 0 H ASP A 53 121.609 1.461 9.503 1.00 0.00 H new ATOM 0 HA ASP A 53 120.800 -1.384 8.914 1.00 0.00 H new ATOM 0 HB2 ASP A 53 122.755 -1.099 10.623 1.00 0.00 H new ATOM 0 HB3 ASP A 53 121.631 -0.196 11.620 1.00 0.00 H new ATOM 877 N ILE A 54 118.501 -0.739 9.509 1.00 0.00 N ATOM 878 CA ILE A 54 117.090 -0.293 9.775 1.00 0.00 C ATOM 879 C ILE A 54 116.764 -0.328 11.281 1.00 0.00 C ATOM 880 O ILE A 54 115.879 0.380 11.728 1.00 0.00 O ATOM 881 CB ILE A 54 116.180 -1.234 8.957 1.00 0.00 C ATOM 882 CG1 ILE A 54 114.721 -0.778 9.074 1.00 0.00 C ATOM 883 CG2 ILE A 54 116.313 -2.686 9.439 1.00 0.00 C ATOM 884 CD1 ILE A 54 113.863 -1.492 8.028 1.00 0.00 C ATOM 0 H ILE A 54 118.582 -1.589 8.951 1.00 0.00 H new ATOM 0 HA ILE A 54 116.937 0.743 9.474 1.00 0.00 H new ATOM 0 HB ILE A 54 116.492 -1.190 7.914 1.00 0.00 H new ATOM 0 HG12 ILE A 54 114.344 -0.993 10.074 1.00 0.00 H new ATOM 0 HG13 ILE A 54 114.656 0.301 8.934 1.00 0.00 H new ATOM 0 HG21 ILE A 54 115.661 -3.327 8.846 1.00 0.00 H new ATOM 0 HG22 ILE A 54 117.346 -3.014 9.325 1.00 0.00 H new ATOM 0 HG23 ILE A 54 116.026 -2.749 10.489 1.00 0.00 H new ATOM 0 HD11 ILE A 54 112.828 -1.162 8.119 1.00 0.00 H new ATOM 0 HD12 ILE A 54 114.233 -1.255 7.031 1.00 0.00 H new ATOM 0 HD13 ILE A 54 113.915 -2.569 8.188 1.00 0.00 H new ATOM 896 N ASN A 55 117.465 -1.135 12.049 1.00 0.00 N ATOM 897 CA ASN A 55 117.188 -1.231 13.522 1.00 0.00 C ATOM 898 C ASN A 55 117.700 0.000 14.291 1.00 0.00 C ATOM 899 O ASN A 55 117.531 0.067 15.496 1.00 0.00 O ATOM 900 CB ASN A 55 117.905 -2.494 14.012 1.00 0.00 C ATOM 901 CG ASN A 55 117.276 -3.729 13.365 1.00 0.00 C ATOM 902 OD1 ASN A 55 116.076 -3.792 13.186 1.00 0.00 O ATOM 903 ND2 ASN A 55 118.042 -4.722 13.002 1.00 0.00 N ATOM 0 H ASN A 55 118.221 -1.734 11.716 1.00 0.00 H new ATOM 0 HA ASN A 55 116.113 -1.274 13.698 1.00 0.00 H new ATOM 0 HB2 ASN A 55 118.965 -2.442 13.763 1.00 0.00 H new ATOM 0 HB3 ASN A 55 117.835 -2.565 15.097 1.00 0.00 H new ATOM 0 HD21 ASN A 55 117.633 -5.550 12.569 1.00 0.00 H new ATOM 0 HD22 ASN A 55 119.050 -4.670 13.152 1.00 0.00 H new ATOM 910 N LYS A 56 118.317 0.955 13.624 1.00 0.00 N ATOM 911 CA LYS A 56 118.635 2.266 14.276 1.00 0.00 C ATOM 912 C LYS A 56 117.501 3.286 14.073 1.00 0.00 C ATOM 913 O LYS A 56 117.474 4.301 14.746 1.00 0.00 O ATOM 914 CB LYS A 56 119.925 2.756 13.612 1.00 0.00 C ATOM 915 CG LYS A 56 121.079 1.827 13.994 1.00 0.00 C ATOM 916 CD LYS A 56 122.366 2.307 13.319 1.00 0.00 C ATOM 917 CE LYS A 56 122.860 3.581 14.008 1.00 0.00 C ATOM 918 NZ LYS A 56 124.265 3.748 13.542 1.00 0.00 N ATOM 0 H LYS A 56 118.614 0.878 12.651 1.00 0.00 H new ATOM 0 HA LYS A 56 118.750 2.150 15.354 1.00 0.00 H new ATOM 0 HB2 LYS A 56 119.804 2.777 12.529 1.00 0.00 H new ATOM 0 HB3 LYS A 56 120.145 3.776 13.928 1.00 0.00 H new ATOM 0 HG2 LYS A 56 121.206 1.814 15.076 1.00 0.00 H new ATOM 0 HG3 LYS A 56 120.854 0.805 13.687 1.00 0.00 H new ATOM 0 HD2 LYS A 56 123.130 1.531 13.375 1.00 0.00 H new ATOM 0 HD3 LYS A 56 122.184 2.500 12.262 1.00 0.00 H new ATOM 0 HE2 LYS A 56 122.248 4.441 13.735 1.00 0.00 H new ATOM 0 HE3 LYS A 56 122.812 3.488 15.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 124.674 4.602 13.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 124.825 2.917 13.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 124.278 3.841 12.506 1.00 0.00 H new ATOM 932 N PHE A 57 116.578 3.032 13.166 1.00 0.00 N ATOM 933 CA PHE A 57 115.384 3.919 13.002 1.00 0.00 C ATOM 934 C PHE A 57 114.114 3.131 13.337 1.00 0.00 C ATOM 935 O PHE A 57 114.179 1.940 13.587 1.00 0.00 O ATOM 936 CB PHE A 57 115.375 4.347 11.531 1.00 0.00 C ATOM 937 CG PHE A 57 116.642 5.037 11.079 1.00 0.00 C ATOM 938 CD1 PHE A 57 116.766 6.456 11.194 1.00 0.00 C ATOM 939 CD2 PHE A 57 117.720 4.267 10.543 1.00 0.00 C ATOM 940 CE1 PHE A 57 117.968 7.105 10.769 1.00 0.00 C ATOM 941 CE2 PHE A 57 118.921 4.914 10.119 1.00 0.00 C ATOM 942 CZ PHE A 57 119.045 6.333 10.232 1.00 0.00 C ATOM 0 H PHE A 57 116.607 2.237 12.528 1.00 0.00 H new ATOM 0 HA PHE A 57 115.423 4.785 13.663 1.00 0.00 H new ATOM 0 HB2 PHE A 57 115.212 3.467 10.909 1.00 0.00 H new ATOM 0 HB3 PHE A 57 114.531 5.016 11.364 1.00 0.00 H new ATOM 0 HD1 PHE A 57 115.953 7.038 11.602 1.00 0.00 H new ATOM 0 HD2 PHE A 57 117.627 3.194 10.458 1.00 0.00 H new ATOM 0 HE1 PHE A 57 118.062 8.178 10.854 1.00 0.00 H new ATOM 0 HE2 PHE A 57 119.735 4.331 9.713 1.00 0.00 H new ATOM 0 HZ PHE A 57 119.953 6.823 9.912 1.00 0.00 H new ATOM 952 N LYS A 58 112.977 3.788 13.341 1.00 0.00 N ATOM 953 CA LYS A 58 111.695 3.112 13.722 1.00 0.00 C ATOM 954 C LYS A 58 111.004 2.552 12.475 1.00 0.00 C ATOM 955 O LYS A 58 110.394 3.289 11.720 1.00 0.00 O ATOM 956 CB LYS A 58 110.836 4.199 14.374 1.00 0.00 C ATOM 957 CG LYS A 58 111.475 4.633 15.695 1.00 0.00 C ATOM 958 CD LYS A 58 110.558 5.636 16.400 1.00 0.00 C ATOM 959 CE LYS A 58 111.251 6.162 17.659 1.00 0.00 C ATOM 960 NZ LYS A 58 110.141 6.585 18.559 1.00 0.00 N ATOM 0 H LYS A 58 112.882 4.773 13.094 1.00 0.00 H new ATOM 0 HA LYS A 58 111.860 2.274 14.399 1.00 0.00 H new ATOM 0 HB2 LYS A 58 110.744 5.054 13.705 1.00 0.00 H new ATOM 0 HB3 LYS A 58 109.828 3.823 14.552 1.00 0.00 H new ATOM 0 HG2 LYS A 58 111.641 3.765 16.333 1.00 0.00 H new ATOM 0 HG3 LYS A 58 112.450 5.084 15.509 1.00 0.00 H new ATOM 0 HD2 LYS A 58 110.321 6.462 15.730 1.00 0.00 H new ATOM 0 HD3 LYS A 58 109.614 5.159 16.664 1.00 0.00 H new ATOM 0 HE2 LYS A 58 111.864 5.390 18.124 1.00 0.00 H new ATOM 0 HE3 LYS A 58 111.912 6.997 17.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 110.536 6.958 19.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 109.578 7.325 18.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 109.533 5.768 18.768 1.00 0.00 H new ATOM 974 N TYR A 59 111.098 1.257 12.270 1.00 0.00 N ATOM 975 CA TYR A 59 110.492 0.612 11.065 1.00 0.00 C ATOM 976 C TYR A 59 109.296 -0.262 11.466 1.00 0.00 C ATOM 977 O TYR A 59 108.978 -0.378 12.636 1.00 0.00 O ATOM 978 CB TYR A 59 111.631 -0.219 10.448 1.00 0.00 C ATOM 979 CG TYR A 59 112.089 -1.397 11.286 1.00 0.00 C ATOM 980 CD1 TYR A 59 113.103 -1.226 12.279 1.00 0.00 C ATOM 981 CD2 TYR A 59 111.500 -2.683 11.083 1.00 0.00 C ATOM 982 CE1 TYR A 59 113.525 -2.340 13.069 1.00 0.00 C ATOM 983 CE2 TYR A 59 111.923 -3.797 11.872 1.00 0.00 C ATOM 984 CZ TYR A 59 112.935 -3.625 12.866 1.00 0.00 C ATOM 985 OH TYR A 59 113.343 -4.701 13.629 1.00 0.00 O ATOM 0 H TYR A 59 111.577 0.613 12.899 1.00 0.00 H new ATOM 0 HA TYR A 59 110.100 1.337 10.352 1.00 0.00 H new ATOM 0 HB2 TYR A 59 111.306 -0.588 9.475 1.00 0.00 H new ATOM 0 HB3 TYR A 59 112.484 0.436 10.271 1.00 0.00 H new ATOM 0 HD1 TYR A 59 113.550 -0.255 12.432 1.00 0.00 H new ATOM 0 HD2 TYR A 59 110.734 -2.813 10.333 1.00 0.00 H new ATOM 0 HE1 TYR A 59 114.290 -2.210 13.820 1.00 0.00 H new ATOM 0 HE2 TYR A 59 111.478 -4.769 11.717 1.00 0.00 H new ATOM 0 HH TYR A 59 114.321 -4.704 13.694 1.00 0.00 H new ATOM 995 N ILE A 60 108.646 -0.867 10.499 1.00 0.00 N ATOM 996 CA ILE A 60 107.543 -1.835 10.789 1.00 0.00 C ATOM 997 C ILE A 60 108.007 -3.236 10.370 1.00 0.00 C ATOM 998 O ILE A 60 108.517 -3.415 9.278 1.00 0.00 O ATOM 999 CB ILE A 60 106.336 -1.369 9.952 1.00 0.00 C ATOM 1000 CG1 ILE A 60 105.929 0.057 10.349 1.00 0.00 C ATOM 1001 CG2 ILE A 60 105.134 -2.293 10.188 1.00 0.00 C ATOM 1002 CD1 ILE A 60 104.992 0.637 9.287 1.00 0.00 C ATOM 0 H ILE A 60 108.837 -0.728 9.507 1.00 0.00 H new ATOM 0 HA ILE A 60 107.275 -1.873 11.845 1.00 0.00 H new ATOM 0 HB ILE A 60 106.627 -1.396 8.902 1.00 0.00 H new ATOM 0 HG12 ILE A 60 105.434 0.048 11.320 1.00 0.00 H new ATOM 0 HG13 ILE A 60 106.815 0.684 10.449 1.00 0.00 H new ATOM 0 HG21 ILE A 60 104.289 -1.951 9.590 1.00 0.00 H new ATOM 0 HG22 ILE A 60 105.395 -3.311 9.898 1.00 0.00 H new ATOM 0 HG23 ILE A 60 104.863 -2.274 11.243 1.00 0.00 H new ATOM 0 HD11 ILE A 60 104.704 1.649 9.570 1.00 0.00 H new ATOM 0 HD12 ILE A 60 105.503 0.661 8.325 1.00 0.00 H new ATOM 0 HD13 ILE A 60 104.101 0.014 9.209 1.00 0.00 H new ATOM 1014 N GLU A 61 107.834 -4.211 11.233 1.00 0.00 N ATOM 1015 CA GLU A 61 108.259 -5.609 10.918 1.00 0.00 C ATOM 1016 C GLU A 61 107.035 -6.477 10.619 1.00 0.00 C ATOM 1017 O GLU A 61 105.993 -6.301 11.228 1.00 0.00 O ATOM 1018 CB GLU A 61 108.962 -6.100 12.185 1.00 0.00 C ATOM 1019 CG GLU A 61 109.659 -7.432 11.903 1.00 0.00 C ATOM 1020 CD GLU A 61 110.240 -7.989 13.204 1.00 0.00 C ATOM 1021 OE1 GLU A 61 111.270 -7.495 13.629 1.00 0.00 O ATOM 1022 OE2 GLU A 61 109.641 -8.899 13.755 1.00 0.00 O ATOM 0 H GLU A 61 107.411 -4.093 12.153 1.00 0.00 H new ATOM 0 HA GLU A 61 108.907 -5.658 10.043 1.00 0.00 H new ATOM 0 HB2 GLU A 61 109.690 -5.361 12.518 1.00 0.00 H new ATOM 0 HB3 GLU A 61 108.238 -6.220 12.991 1.00 0.00 H new ATOM 0 HG2 GLU A 61 108.951 -8.142 11.475 1.00 0.00 H new ATOM 0 HG3 GLU A 61 110.452 -7.291 11.169 1.00 0.00 H new ATOM 1029 N THR A 62 107.159 -7.403 9.694 1.00 0.00 N ATOM 1030 CA THR A 62 106.026 -8.322 9.363 1.00 0.00 C ATOM 1031 C THR A 62 106.447 -9.787 9.530 1.00 0.00 C ATOM 1032 O THR A 62 107.537 -10.170 9.145 1.00 0.00 O ATOM 1033 CB THR A 62 105.675 -8.011 7.909 1.00 0.00 C ATOM 1034 OG1 THR A 62 106.853 -8.056 7.117 1.00 0.00 O ATOM 1035 CG2 THR A 62 105.053 -6.616 7.830 1.00 0.00 C ATOM 0 H THR A 62 108.007 -7.560 9.150 1.00 0.00 H new ATOM 0 HA THR A 62 105.172 -8.176 10.025 1.00 0.00 H new ATOM 0 HB THR A 62 104.964 -8.748 7.536 1.00 0.00 H new ATOM 0 HG1 THR A 62 107.340 -7.211 7.207 1.00 0.00 H new ATOM 0 HG21 THR A 62 104.800 -6.388 6.794 1.00 0.00 H new ATOM 0 HG22 THR A 62 104.150 -6.585 8.439 1.00 0.00 H new ATOM 0 HG23 THR A 62 105.765 -5.879 8.200 1.00 0.00 H new ATOM 1043 N GLU A 63 105.572 -10.590 10.092 1.00 0.00 N ATOM 1044 CA GLU A 63 105.951 -11.966 10.556 1.00 0.00 C ATOM 1045 C GLU A 63 106.058 -12.956 9.386 1.00 0.00 C ATOM 1046 O GLU A 63 105.719 -12.632 8.262 1.00 0.00 O ATOM 1047 CB GLU A 63 104.864 -12.407 11.554 1.00 0.00 C ATOM 1048 CG GLU A 63 103.475 -12.431 10.900 1.00 0.00 C ATOM 1049 CD GLU A 63 102.531 -13.297 11.737 1.00 0.00 C ATOM 1050 OE1 GLU A 63 102.712 -14.503 11.738 1.00 0.00 O ATOM 1051 OE2 GLU A 63 101.646 -12.737 12.363 1.00 0.00 O ATOM 0 H GLU A 63 104.595 -10.346 10.251 1.00 0.00 H new ATOM 0 HA GLU A 63 106.935 -11.951 11.024 1.00 0.00 H new ATOM 0 HB2 GLU A 63 105.103 -13.398 11.939 1.00 0.00 H new ATOM 0 HB3 GLU A 63 104.854 -11.728 12.406 1.00 0.00 H new ATOM 0 HG2 GLU A 63 103.081 -11.418 10.820 1.00 0.00 H new ATOM 0 HG3 GLU A 63 103.545 -12.826 9.887 1.00 0.00 H new ATOM 1058 N ASP A 64 106.528 -14.153 9.664 1.00 0.00 N ATOM 1059 CA ASP A 64 106.713 -15.191 8.593 1.00 0.00 C ATOM 1060 C ASP A 64 105.343 -15.629 8.063 1.00 0.00 C ATOM 1061 O ASP A 64 104.402 -15.757 8.826 1.00 0.00 O ATOM 1062 CB ASP A 64 107.425 -16.385 9.256 1.00 0.00 C ATOM 1063 CG ASP A 64 108.785 -15.958 9.818 1.00 0.00 C ATOM 1064 OD1 ASP A 64 109.612 -15.513 9.043 1.00 0.00 O ATOM 1065 OD2 ASP A 64 108.973 -16.085 11.017 1.00 0.00 O ATOM 0 H ASP A 64 106.795 -14.459 10.600 1.00 0.00 H new ATOM 0 HA ASP A 64 107.295 -14.803 7.757 1.00 0.00 H new ATOM 0 HB2 ASP A 64 106.804 -16.786 10.057 1.00 0.00 H new ATOM 0 HB3 ASP A 64 107.561 -17.184 8.527 1.00 0.00 H new ATOM 1070 N PHE A 65 105.235 -15.853 6.771 1.00 0.00 N ATOM 1071 CA PHE A 65 103.917 -16.215 6.159 1.00 0.00 C ATOM 1072 C PHE A 65 104.088 -17.357 5.150 1.00 0.00 C ATOM 1073 O PHE A 65 105.199 -17.685 4.773 1.00 0.00 O ATOM 1074 CB PHE A 65 103.429 -14.935 5.469 1.00 0.00 C ATOM 1075 CG PHE A 65 104.352 -14.417 4.388 1.00 0.00 C ATOM 1076 CD1 PHE A 65 105.390 -13.491 4.714 1.00 0.00 C ATOM 1077 CD2 PHE A 65 104.184 -14.856 3.038 1.00 0.00 C ATOM 1078 CE1 PHE A 65 106.259 -13.002 3.690 1.00 0.00 C ATOM 1079 CE2 PHE A 65 105.053 -14.368 2.014 1.00 0.00 C ATOM 1080 CZ PHE A 65 106.091 -13.441 2.341 1.00 0.00 C ATOM 0 H PHE A 65 106.011 -15.799 6.112 1.00 0.00 H new ATOM 0 HA PHE A 65 103.201 -16.567 6.902 1.00 0.00 H new ATOM 0 HB2 PHE A 65 102.448 -15.123 5.033 1.00 0.00 H new ATOM 0 HB3 PHE A 65 103.299 -14.158 6.222 1.00 0.00 H new ATOM 0 HD1 PHE A 65 105.518 -13.161 5.734 1.00 0.00 H new ATOM 0 HD2 PHE A 65 103.400 -15.557 2.792 1.00 0.00 H new ATOM 0 HE1 PHE A 65 107.043 -12.301 3.936 1.00 0.00 H new ATOM 0 HE2 PHE A 65 104.926 -14.699 0.994 1.00 0.00 H new ATOM 0 HZ PHE A 65 106.749 -13.072 1.568 1.00 0.00 H new ATOM 1090 N GLU A 66 102.998 -17.954 4.724 1.00 0.00 N ATOM 1091 CA GLU A 66 103.063 -19.068 3.727 1.00 0.00 C ATOM 1092 C GLU A 66 102.198 -18.749 2.502 1.00 0.00 C ATOM 1093 O GLU A 66 101.173 -18.102 2.614 1.00 0.00 O ATOM 1094 CB GLU A 66 102.519 -20.297 4.462 1.00 0.00 C ATOM 1095 CG GLU A 66 103.659 -21.009 5.198 1.00 0.00 C ATOM 1096 CD GLU A 66 103.115 -22.180 6.023 1.00 0.00 C ATOM 1097 OE1 GLU A 66 102.031 -22.056 6.570 1.00 0.00 O ATOM 1098 OE2 GLU A 66 103.802 -23.185 6.102 1.00 0.00 O ATOM 0 H GLU A 66 102.055 -17.712 5.030 1.00 0.00 H new ATOM 0 HA GLU A 66 104.078 -19.226 3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 66 101.748 -19.996 5.171 1.00 0.00 H new ATOM 0 HB3 GLU A 66 102.050 -20.979 3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 66 104.393 -21.373 4.479 1.00 0.00 H new ATOM 0 HG3 GLU A 66 104.174 -20.305 5.851 1.00 0.00 H new ATOM 1105 N PHE A 67 102.621 -19.204 1.345 1.00 0.00 N ATOM 1106 CA PHE A 67 101.819 -19.036 0.096 1.00 0.00 C ATOM 1107 C PHE A 67 102.102 -20.209 -0.848 1.00 0.00 C ATOM 1108 O PHE A 67 103.234 -20.632 -0.985 1.00 0.00 O ATOM 1109 CB PHE A 67 102.302 -17.718 -0.509 1.00 0.00 C ATOM 1110 CG PHE A 67 101.429 -17.209 -1.632 1.00 0.00 C ATOM 1111 CD1 PHE A 67 100.167 -16.603 -1.338 1.00 0.00 C ATOM 1112 CD2 PHE A 67 101.866 -17.324 -2.987 1.00 0.00 C ATOM 1113 CE1 PHE A 67 99.343 -16.115 -2.399 1.00 0.00 C ATOM 1114 CE2 PHE A 67 101.042 -16.836 -4.049 1.00 0.00 C ATOM 1115 CZ PHE A 67 99.780 -16.232 -3.755 1.00 0.00 C ATOM 0 H PHE A 67 103.506 -19.694 1.215 1.00 0.00 H new ATOM 0 HA PHE A 67 100.744 -19.020 0.278 1.00 0.00 H new ATOM 0 HB2 PHE A 67 102.346 -16.963 0.276 1.00 0.00 H new ATOM 0 HB3 PHE A 67 103.318 -17.850 -0.882 1.00 0.00 H new ATOM 0 HD1 PHE A 67 99.837 -16.514 -0.314 1.00 0.00 H new ATOM 0 HD2 PHE A 67 102.819 -17.780 -3.210 1.00 0.00 H new ATOM 0 HE1 PHE A 67 98.390 -15.658 -2.176 1.00 0.00 H new ATOM 0 HE2 PHE A 67 101.373 -16.924 -5.073 1.00 0.00 H new ATOM 0 HZ PHE A 67 99.157 -15.864 -4.557 1.00 0.00 H new ATOM 1125 N ASN A 68 101.082 -20.737 -1.495 1.00 0.00 N ATOM 1126 CA ASN A 68 101.225 -21.939 -2.391 1.00 0.00 C ATOM 1127 C ASN A 68 101.931 -23.108 -1.684 1.00 0.00 C ATOM 1128 O ASN A 68 102.602 -23.903 -2.319 1.00 0.00 O ATOM 1129 CB ASN A 68 102.042 -21.476 -3.604 1.00 0.00 C ATOM 1130 CG ASN A 68 101.184 -20.576 -4.497 1.00 0.00 C ATOM 1131 OD1 ASN A 68 101.583 -19.478 -4.829 1.00 0.00 O ATOM 1132 ND2 ASN A 68 100.021 -20.999 -4.911 1.00 0.00 N ATOM 0 H ASN A 68 100.130 -20.374 -1.437 1.00 0.00 H new ATOM 0 HA ASN A 68 100.242 -22.311 -2.680 1.00 0.00 H new ATOM 0 HB2 ASN A 68 102.928 -20.935 -3.272 1.00 0.00 H new ATOM 0 HB3 ASN A 68 102.390 -22.340 -4.170 1.00 0.00 H new ATOM 0 HD21 ASN A 68 99.448 -20.408 -5.513 1.00 0.00 H new ATOM 0 HD22 ASN A 68 99.685 -21.921 -4.633 1.00 0.00 H new ATOM 1139 N GLY A 69 101.777 -23.208 -0.382 1.00 0.00 N ATOM 1140 CA GLY A 69 102.377 -24.343 0.388 1.00 0.00 C ATOM 1141 C GLY A 69 103.886 -24.148 0.607 1.00 0.00 C ATOM 1142 O GLY A 69 104.572 -25.098 0.946 1.00 0.00 O ATOM 0 H GLY A 69 101.254 -22.541 0.185 1.00 0.00 H new ATOM 0 HA2 GLY A 69 101.878 -24.432 1.353 1.00 0.00 H new ATOM 0 HA3 GLY A 69 102.205 -25.277 -0.147 1.00 0.00 H new ATOM 1146 N LYS A 70 104.404 -22.952 0.422 1.00 0.00 N ATOM 1147 CA LYS A 70 105.865 -22.697 0.616 1.00 0.00 C ATOM 1148 C LYS A 70 106.061 -21.623 1.687 1.00 0.00 C ATOM 1149 O LYS A 70 105.277 -20.693 1.775 1.00 0.00 O ATOM 1150 CB LYS A 70 106.368 -22.201 -0.741 1.00 0.00 C ATOM 1151 CG LYS A 70 106.297 -23.337 -1.763 1.00 0.00 C ATOM 1152 CD LYS A 70 106.900 -22.871 -3.089 1.00 0.00 C ATOM 1153 CE LYS A 70 106.720 -23.965 -4.145 1.00 0.00 C ATOM 1154 NZ LYS A 70 107.011 -23.296 -5.444 1.00 0.00 N ATOM 0 H LYS A 70 103.865 -22.133 0.141 1.00 0.00 H new ATOM 0 HA LYS A 70 106.405 -23.585 0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 70 105.765 -21.358 -1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 70 107.394 -21.843 -0.651 1.00 0.00 H new ATOM 0 HG2 LYS A 70 106.837 -24.208 -1.392 1.00 0.00 H new ATOM 0 HG3 LYS A 70 105.261 -23.643 -1.910 1.00 0.00 H new ATOM 0 HD2 LYS A 70 106.416 -21.951 -3.417 1.00 0.00 H new ATOM 0 HD3 LYS A 70 107.959 -22.646 -2.960 1.00 0.00 H new ATOM 0 HE2 LYS A 70 107.399 -24.799 -3.969 1.00 0.00 H new ATOM 0 HE3 LYS A 70 105.708 -24.369 -4.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 106.908 -23.982 -6.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 106.345 -22.511 -5.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 107.983 -22.927 -5.434 1.00 0.00 H new ATOM 1168 N ARG A 71 107.095 -21.749 2.487 1.00 0.00 N ATOM 1169 CA ARG A 71 107.315 -20.796 3.620 1.00 0.00 C ATOM 1170 C ARG A 71 108.229 -19.646 3.185 1.00 0.00 C ATOM 1171 O ARG A 71 109.274 -19.872 2.602 1.00 0.00 O ATOM 1172 CB ARG A 71 107.976 -21.624 4.724 1.00 0.00 C ATOM 1173 CG ARG A 71 106.974 -22.649 5.259 1.00 0.00 C ATOM 1174 CD ARG A 71 107.614 -23.452 6.397 1.00 0.00 C ATOM 1175 NE ARG A 71 106.598 -24.483 6.791 1.00 0.00 N ATOM 1176 CZ ARG A 71 106.926 -25.626 7.363 1.00 0.00 C ATOM 1177 NH1 ARG A 71 108.163 -25.950 7.662 1.00 0.00 N ATOM 1178 NH2 ARG A 71 105.974 -26.470 7.655 1.00 0.00 N ATOM 0 H ARG A 71 107.802 -22.479 2.401 1.00 0.00 H new ATOM 0 HA ARG A 71 106.382 -20.344 3.958 1.00 0.00 H new ATOM 0 HB2 ARG A 71 108.859 -22.131 4.335 1.00 0.00 H new ATOM 0 HB3 ARG A 71 108.312 -20.973 5.531 1.00 0.00 H new ATOM 0 HG2 ARG A 71 106.078 -22.143 5.618 1.00 0.00 H new ATOM 0 HG3 ARG A 71 106.663 -23.320 4.458 1.00 0.00 H new ATOM 0 HD2 ARG A 71 108.542 -23.922 6.070 1.00 0.00 H new ATOM 0 HD3 ARG A 71 107.863 -22.806 7.239 1.00 0.00 H new ATOM 0 HE ARG A 71 105.613 -24.293 6.609 1.00 0.00 H new ATOM 0 HH11 ARG A 71 108.924 -25.304 7.452 1.00 0.00 H new ATOM 0 HH12 ARG A 71 108.363 -26.847 8.104 1.00 0.00 H new ATOM 0 HH21 ARG A 71 105.004 -26.239 7.441 1.00 0.00 H new ATOM 0 HH22 ARG A 71 106.200 -27.361 8.098 1.00 0.00 H new ATOM 1192 N PHE A 72 107.831 -18.428 3.470 1.00 0.00 N ATOM 1193 CA PHE A 72 108.671 -17.236 3.143 1.00 0.00 C ATOM 1194 C PHE A 72 109.002 -16.474 4.429 1.00 0.00 C ATOM 1195 O PHE A 72 108.185 -16.397 5.330 1.00 0.00 O ATOM 1196 CB PHE A 72 107.804 -16.384 2.214 1.00 0.00 C ATOM 1197 CG PHE A 72 107.470 -17.069 0.910 1.00 0.00 C ATOM 1198 CD1 PHE A 72 106.456 -18.076 0.872 1.00 0.00 C ATOM 1199 CD2 PHE A 72 108.168 -16.712 -0.285 1.00 0.00 C ATOM 1200 CE1 PHE A 72 106.140 -18.725 -0.362 1.00 0.00 C ATOM 1201 CE2 PHE A 72 107.853 -17.361 -1.518 1.00 0.00 C ATOM 1202 CZ PHE A 72 106.839 -18.368 -1.557 1.00 0.00 C ATOM 0 H PHE A 72 106.944 -18.209 3.923 1.00 0.00 H new ATOM 0 HA PHE A 72 109.618 -17.503 2.674 1.00 0.00 H new ATOM 0 HB2 PHE A 72 106.878 -16.126 2.728 1.00 0.00 H new ATOM 0 HB3 PHE A 72 108.322 -15.449 2.002 1.00 0.00 H new ATOM 0 HD1 PHE A 72 105.929 -18.346 1.775 1.00 0.00 H new ATOM 0 HD2 PHE A 72 108.934 -15.951 -0.256 1.00 0.00 H new ATOM 0 HE1 PHE A 72 105.373 -19.485 -0.392 1.00 0.00 H new ATOM 0 HE2 PHE A 72 108.381 -17.091 -2.421 1.00 0.00 H new ATOM 0 HZ PHE A 72 106.601 -18.859 -2.489 1.00 0.00 H new ATOM 1212 N PHE A 73 110.185 -15.910 4.501 1.00 0.00 N ATOM 1213 CA PHE A 73 110.709 -15.386 5.803 1.00 0.00 C ATOM 1214 C PHE A 73 110.219 -13.956 6.043 1.00 0.00 C ATOM 1215 O PHE A 73 109.874 -13.250 5.113 1.00 0.00 O ATOM 1216 CB PHE A 73 112.235 -15.420 5.684 1.00 0.00 C ATOM 1217 CG PHE A 73 112.800 -16.817 5.583 1.00 0.00 C ATOM 1218 CD1 PHE A 73 113.055 -17.571 6.770 1.00 0.00 C ATOM 1219 CD2 PHE A 73 113.081 -17.385 4.303 1.00 0.00 C ATOM 1220 CE1 PHE A 73 113.591 -18.893 6.677 1.00 0.00 C ATOM 1221 CE2 PHE A 73 113.616 -18.706 4.208 1.00 0.00 C ATOM 1222 CZ PHE A 73 113.872 -19.460 5.395 1.00 0.00 C ATOM 0 H PHE A 73 110.814 -15.790 3.707 1.00 0.00 H new ATOM 0 HA PHE A 73 110.361 -15.985 6.645 1.00 0.00 H new ATOM 0 HB2 PHE A 73 112.536 -14.850 4.805 1.00 0.00 H new ATOM 0 HB3 PHE A 73 112.670 -14.922 6.550 1.00 0.00 H new ATOM 0 HD1 PHE A 73 112.843 -17.142 7.738 1.00 0.00 H new ATOM 0 HD2 PHE A 73 112.889 -16.815 3.406 1.00 0.00 H new ATOM 0 HE1 PHE A 73 113.783 -19.463 7.574 1.00 0.00 H new ATOM 0 HE2 PHE A 73 113.827 -19.135 3.240 1.00 0.00 H new ATOM 0 HZ PHE A 73 114.278 -20.458 5.323 1.00 0.00 H new ATOM 1232 N GLY A 74 110.191 -13.540 7.290 1.00 0.00 N ATOM 1233 CA GLY A 74 109.663 -12.191 7.656 1.00 0.00 C ATOM 1234 C GLY A 74 110.573 -11.099 7.087 1.00 0.00 C ATOM 1235 O GLY A 74 111.711 -11.356 6.735 1.00 0.00 O ATOM 0 H GLY A 74 110.519 -14.093 8.082 1.00 0.00 H new ATOM 0 HA2 GLY A 74 108.651 -12.070 7.269 1.00 0.00 H new ATOM 0 HA3 GLY A 74 109.603 -12.097 8.740 1.00 0.00 H new ATOM 1239 N VAL A 75 110.067 -9.890 7.005 1.00 0.00 N ATOM 1240 CA VAL A 75 110.834 -8.775 6.365 1.00 0.00 C ATOM 1241 C VAL A 75 110.659 -7.480 7.165 1.00 0.00 C ATOM 1242 O VAL A 75 109.689 -7.326 7.886 1.00 0.00 O ATOM 1243 CB VAL A 75 110.283 -8.623 4.935 1.00 0.00 C ATOM 1244 CG1 VAL A 75 110.563 -9.901 4.140 1.00 0.00 C ATOM 1245 CG2 VAL A 75 108.770 -8.361 4.942 1.00 0.00 C ATOM 0 H VAL A 75 109.147 -9.627 7.358 1.00 0.00 H new ATOM 0 HA VAL A 75 111.902 -8.991 6.342 1.00 0.00 H new ATOM 0 HB VAL A 75 110.780 -7.770 4.472 1.00 0.00 H new ATOM 0 HG11 VAL A 75 110.173 -9.793 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 75 111.638 -10.075 4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 75 110.078 -10.746 4.628 1.00 0.00 H new ATOM 0 HG21 VAL A 75 108.414 -8.259 3.917 1.00 0.00 H new ATOM 0 HG22 VAL A 75 108.259 -9.195 5.422 1.00 0.00 H new ATOM 0 HG23 VAL A 75 108.562 -7.443 5.492 1.00 0.00 H new ATOM 1255 N LYS A 76 111.593 -6.566 7.035 1.00 0.00 N ATOM 1256 CA LYS A 76 111.484 -5.243 7.723 1.00 0.00 C ATOM 1257 C LYS A 76 111.384 -4.130 6.678 1.00 0.00 C ATOM 1258 O LYS A 76 112.093 -4.151 5.687 1.00 0.00 O ATOM 1259 CB LYS A 76 112.777 -5.101 8.532 1.00 0.00 C ATOM 1260 CG LYS A 76 112.831 -6.167 9.629 1.00 0.00 C ATOM 1261 CD LYS A 76 114.075 -5.949 10.492 1.00 0.00 C ATOM 1262 CE LYS A 76 114.168 -7.054 11.547 1.00 0.00 C ATOM 1263 NZ LYS A 76 115.539 -6.930 12.114 1.00 0.00 N ATOM 0 H LYS A 76 112.436 -6.685 6.473 1.00 0.00 H new ATOM 0 HA LYS A 76 110.602 -5.176 8.360 1.00 0.00 H new ATOM 0 HB2 LYS A 76 113.640 -5.202 7.874 1.00 0.00 H new ATOM 0 HB3 LYS A 76 112.830 -4.107 8.977 1.00 0.00 H new ATOM 0 HG2 LYS A 76 111.934 -6.115 10.246 1.00 0.00 H new ATOM 0 HG3 LYS A 76 112.854 -7.162 9.184 1.00 0.00 H new ATOM 0 HD2 LYS A 76 114.968 -5.952 9.868 1.00 0.00 H new ATOM 0 HD3 LYS A 76 114.028 -4.973 10.976 1.00 0.00 H new ATOM 0 HE2 LYS A 76 113.409 -6.928 12.319 1.00 0.00 H new ATOM 0 HE3 LYS A 76 114.012 -8.037 11.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 115.656 -7.610 12.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 116.241 -7.128 11.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 115.680 -5.965 12.475 1.00 0.00 H new ATOM 1277 N VAL A 77 110.514 -3.171 6.897 1.00 0.00 N ATOM 1278 CA VAL A 77 110.287 -2.085 5.889 1.00 0.00 C ATOM 1279 C VAL A 77 110.268 -0.726 6.603 1.00 0.00 C ATOM 1280 O VAL A 77 109.732 -0.610 7.690 1.00 0.00 O ATOM 1281 CB VAL A 77 108.925 -2.392 5.234 1.00 0.00 C ATOM 1282 CG1 VAL A 77 108.606 -1.354 4.151 1.00 0.00 C ATOM 1283 CG2 VAL A 77 108.947 -3.775 4.573 1.00 0.00 C ATOM 0 H VAL A 77 109.946 -3.094 7.740 1.00 0.00 H new ATOM 0 HA VAL A 77 111.074 -2.044 5.136 1.00 0.00 H new ATOM 0 HB VAL A 77 108.167 -2.363 6.017 1.00 0.00 H new ATOM 0 HG11 VAL A 77 107.642 -1.585 3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 77 108.568 -0.361 4.599 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.381 -1.377 3.385 1.00 0.00 H new ATOM 0 HG21 VAL A 77 107.978 -3.975 4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 77 109.722 -3.800 3.807 1.00 0.00 H new ATOM 0 HG23 VAL A 77 109.157 -4.535 5.326 1.00 0.00 H new ATOM 1293 N LEU A 78 110.850 0.282 5.994 1.00 0.00 N ATOM 1294 CA LEU A 78 110.842 1.654 6.592 1.00 0.00 C ATOM 1295 C LEU A 78 110.540 2.705 5.504 1.00 0.00 C ATOM 1296 O LEU A 78 111.233 2.723 4.505 1.00 0.00 O ATOM 1297 CB LEU A 78 112.261 1.825 7.146 1.00 0.00 C ATOM 1298 CG LEU A 78 112.404 3.158 7.889 1.00 0.00 C ATOM 1299 CD1 LEU A 78 111.563 3.147 9.168 1.00 0.00 C ATOM 1300 CD2 LEU A 78 113.873 3.357 8.264 1.00 0.00 C ATOM 0 H LEU A 78 111.335 0.210 5.099 1.00 0.00 H new ATOM 0 HA LEU A 78 110.081 1.782 7.362 1.00 0.00 H new ATOM 0 HB2 LEU A 78 112.493 1.002 7.821 1.00 0.00 H new ATOM 0 HB3 LEU A 78 112.982 1.781 6.330 1.00 0.00 H new ATOM 0 HG LEU A 78 112.060 3.966 7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 78 111.675 4.100 9.685 1.00 0.00 H new ATOM 0 HD12 LEU A 78 110.515 2.993 8.913 1.00 0.00 H new ATOM 0 HD13 LEU A 78 111.900 2.340 9.818 1.00 0.00 H new ATOM 0 HD21 LEU A 78 113.988 4.303 8.794 1.00 0.00 H new ATOM 0 HD22 LEU A 78 114.198 2.539 8.907 1.00 0.00 H new ATOM 0 HD23 LEU A 78 114.481 3.371 7.359 1.00 0.00 H new ATOM 1312 N PRO A 79 109.533 3.546 5.703 1.00 0.00 N ATOM 1313 CA PRO A 79 109.224 4.627 4.711 1.00 0.00 C ATOM 1314 C PRO A 79 110.378 5.633 4.603 1.00 0.00 C ATOM 1315 O PRO A 79 111.088 5.869 5.564 1.00 0.00 O ATOM 1316 CB PRO A 79 107.979 5.302 5.298 1.00 0.00 C ATOM 1317 CG PRO A 79 107.387 4.253 6.171 1.00 0.00 C ATOM 1318 CD PRO A 79 108.565 3.596 6.820 1.00 0.00 C ATOM 0 HA PRO A 79 109.073 4.239 3.704 1.00 0.00 H new ATOM 0 HB2 PRO A 79 108.238 6.196 5.866 1.00 0.00 H new ATOM 0 HB3 PRO A 79 107.285 5.611 4.516 1.00 0.00 H new ATOM 0 HG2 PRO A 79 106.716 4.686 6.913 1.00 0.00 H new ATOM 0 HG3 PRO A 79 106.803 3.538 5.592 1.00 0.00 H new ATOM 0 HD2 PRO A 79 108.943 4.174 7.664 1.00 0.00 H new ATOM 0 HD3 PRO A 79 108.323 2.602 7.197 1.00 0.00 H new ATOM 1326 N ILE A 80 110.557 6.215 3.438 1.00 0.00 N ATOM 1327 CA ILE A 80 111.530 7.343 3.271 1.00 0.00 C ATOM 1328 C ILE A 80 110.965 8.395 2.308 1.00 0.00 C ATOM 1329 O ILE A 80 109.964 8.165 1.654 1.00 0.00 O ATOM 1330 CB ILE A 80 112.827 6.728 2.711 1.00 0.00 C ATOM 1331 CG1 ILE A 80 112.571 6.012 1.372 1.00 0.00 C ATOM 1332 CG2 ILE A 80 113.403 5.734 3.724 1.00 0.00 C ATOM 1333 CD1 ILE A 80 113.901 5.642 0.710 1.00 0.00 C ATOM 0 H ILE A 80 110.063 5.952 2.585 1.00 0.00 H new ATOM 0 HA ILE A 80 111.719 7.845 4.220 1.00 0.00 H new ATOM 0 HB ILE A 80 113.540 7.534 2.536 1.00 0.00 H new ATOM 0 HG12 ILE A 80 111.977 5.114 1.539 1.00 0.00 H new ATOM 0 HG13 ILE A 80 111.994 6.658 0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 80 114.320 5.300 3.326 1.00 0.00 H new ATOM 0 HG22 ILE A 80 113.622 6.252 4.658 1.00 0.00 H new ATOM 0 HG23 ILE A 80 112.677 4.942 3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 80 113.708 5.136 -0.236 1.00 0.00 H new ATOM 0 HD12 ILE A 80 114.480 6.547 0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 80 114.463 4.979 1.368 1.00 0.00 H new ATOM 1345 N LYS A 81 111.609 9.535 2.226 1.00 0.00 N ATOM 1346 CA LYS A 81 111.314 10.514 1.136 1.00 0.00 C ATOM 1347 C LYS A 81 112.545 10.651 0.237 1.00 0.00 C ATOM 1348 O LYS A 81 113.645 10.834 0.726 1.00 0.00 O ATOM 1349 CB LYS A 81 111.012 11.838 1.842 1.00 0.00 C ATOM 1350 CG LYS A 81 109.729 11.710 2.669 1.00 0.00 C ATOM 1351 CD LYS A 81 108.520 11.635 1.734 1.00 0.00 C ATOM 1352 CE LYS A 81 107.232 11.727 2.556 1.00 0.00 C ATOM 1353 NZ LYS A 81 107.028 13.185 2.788 1.00 0.00 N ATOM 0 H LYS A 81 112.336 9.831 2.878 1.00 0.00 H new ATOM 0 HA LYS A 81 110.478 10.203 0.509 1.00 0.00 H new ATOM 0 HB2 LYS A 81 111.845 12.113 2.489 1.00 0.00 H new ATOM 0 HB3 LYS A 81 110.902 12.635 1.107 1.00 0.00 H new ATOM 0 HG2 LYS A 81 109.774 10.818 3.293 1.00 0.00 H new ATOM 0 HG3 LYS A 81 109.630 12.563 3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 81 108.559 12.446 1.007 1.00 0.00 H new ATOM 0 HD3 LYS A 81 108.539 10.701 1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 81 106.389 11.291 2.020 1.00 0.00 H new ATOM 0 HE3 LYS A 81 107.325 11.186 3.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 106.707 13.339 3.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 107.924 13.690 2.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 106.310 13.545 2.127 1.00 0.00 H new ATOM 1367 N ILE A 82 112.362 10.563 -1.060 1.00 0.00 N ATOM 1368 CA ILE A 82 113.521 10.577 -2.009 1.00 0.00 C ATOM 1369 C ILE A 82 113.570 11.941 -2.707 1.00 0.00 C ATOM 1370 O ILE A 82 112.605 12.349 -3.330 1.00 0.00 O ATOM 1371 CB ILE A 82 113.263 9.437 -3.013 1.00 0.00 C ATOM 1372 CG1 ILE A 82 113.171 8.090 -2.281 1.00 0.00 C ATOM 1373 CG2 ILE A 82 114.409 9.350 -4.029 1.00 0.00 C ATOM 1374 CD1 ILE A 82 112.562 7.040 -3.213 1.00 0.00 C ATOM 0 H ILE A 82 111.448 10.481 -1.506 1.00 0.00 H new ATOM 0 HA ILE A 82 114.479 10.429 -1.510 1.00 0.00 H new ATOM 0 HB ILE A 82 112.324 9.650 -3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 82 114.162 7.772 -1.957 1.00 0.00 H new ATOM 0 HG13 ILE A 82 112.560 8.193 -1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 82 114.212 8.540 -4.731 1.00 0.00 H new ATOM 0 HG22 ILE A 82 114.485 10.291 -4.573 1.00 0.00 H new ATOM 0 HG23 ILE A 82 115.345 9.157 -3.506 1.00 0.00 H new ATOM 0 HD11 ILE A 82 112.497 6.085 -2.692 1.00 0.00 H new ATOM 0 HD12 ILE A 82 111.564 7.357 -3.515 1.00 0.00 H new ATOM 0 HD13 ILE A 82 113.190 6.930 -4.097 1.00 0.00 H new ATOM 1386 N LEU A 83 114.683 12.629 -2.600 1.00 0.00 N ATOM 1387 CA LEU A 83 114.819 13.985 -3.215 1.00 0.00 C ATOM 1388 C LEU A 83 115.741 13.924 -4.436 1.00 0.00 C ATOM 1389 O LEU A 83 116.913 13.614 -4.313 1.00 0.00 O ATOM 1390 CB LEU A 83 115.438 14.863 -2.123 1.00 0.00 C ATOM 1391 CG LEU A 83 114.467 15.009 -0.948 1.00 0.00 C ATOM 1392 CD1 LEU A 83 115.191 15.654 0.235 1.00 0.00 C ATOM 1393 CD2 LEU A 83 113.288 15.895 -1.362 1.00 0.00 C ATOM 0 H LEU A 83 115.513 12.302 -2.105 1.00 0.00 H new ATOM 0 HA LEU A 83 113.861 14.376 -3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 83 116.373 14.422 -1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 83 115.679 15.845 -2.529 1.00 0.00 H new ATOM 0 HG LEU A 83 114.099 14.024 -0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 83 114.500 15.758 1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 83 116.031 15.026 0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 83 115.559 16.638 -0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 83 112.598 15.998 -0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 83 113.656 16.879 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 83 112.769 15.440 -2.206 1.00 0.00 H new ATOM 1405 N ILE A 84 115.209 14.217 -5.602 1.00 0.00 N ATOM 1406 CA ILE A 84 116.038 14.256 -6.848 1.00 0.00 C ATOM 1407 C ILE A 84 115.761 15.582 -7.566 1.00 0.00 C ATOM 1408 O ILE A 84 114.628 15.876 -7.902 1.00 0.00 O ATOM 1409 CB ILE A 84 115.589 13.049 -7.695 1.00 0.00 C ATOM 1410 CG1 ILE A 84 115.827 11.740 -6.928 1.00 0.00 C ATOM 1411 CG2 ILE A 84 116.388 12.989 -9.003 1.00 0.00 C ATOM 1412 CD1 ILE A 84 115.066 10.599 -7.606 1.00 0.00 C ATOM 0 H ILE A 84 114.222 14.433 -5.742 1.00 0.00 H new ATOM 0 HA ILE A 84 117.109 14.198 -6.654 1.00 0.00 H new ATOM 0 HB ILE A 84 114.527 13.168 -7.910 1.00 0.00 H new ATOM 0 HG12 ILE A 84 116.893 11.513 -6.899 1.00 0.00 H new ATOM 0 HG13 ILE A 84 115.496 11.847 -5.895 1.00 0.00 H new ATOM 0 HG21 ILE A 84 116.060 12.132 -9.591 1.00 0.00 H new ATOM 0 HG22 ILE A 84 116.223 13.904 -9.572 1.00 0.00 H new ATOM 0 HG23 ILE A 84 117.450 12.889 -8.777 1.00 0.00 H new ATOM 0 HD11 ILE A 84 115.237 9.672 -7.059 1.00 0.00 H new ATOM 0 HD12 ILE A 84 114.000 10.825 -7.611 1.00 0.00 H new ATOM 0 HD13 ILE A 84 115.418 10.486 -8.631 1.00 0.00 H new ATOM 1424 N GLY A 85 116.786 16.375 -7.791 1.00 0.00 N ATOM 1425 CA GLY A 85 116.609 17.709 -8.447 1.00 0.00 C ATOM 1426 C GLY A 85 115.769 18.625 -7.549 1.00 0.00 C ATOM 1427 O GLY A 85 116.149 18.907 -6.426 1.00 0.00 O ATOM 0 H GLY A 85 117.749 16.149 -7.544 1.00 0.00 H new ATOM 0 HA2 GLY A 85 117.582 18.163 -8.636 1.00 0.00 H new ATOM 0 HA3 GLY A 85 116.121 17.587 -9.414 1.00 0.00 H new ATOM 1431 N ASN A 86 114.642 19.082 -8.044 1.00 0.00 N ATOM 1432 CA ASN A 86 113.707 19.907 -7.217 1.00 0.00 C ATOM 1433 C ASN A 86 112.406 19.153 -6.902 1.00 0.00 C ATOM 1434 O ASN A 86 111.429 19.772 -6.515 1.00 0.00 O ATOM 1435 CB ASN A 86 113.410 21.138 -8.075 1.00 0.00 C ATOM 1436 CG ASN A 86 114.671 21.997 -8.196 1.00 0.00 C ATOM 1437 OD1 ASN A 86 115.095 22.323 -9.286 1.00 0.00 O ATOM 1438 ND2 ASN A 86 115.292 22.378 -7.113 1.00 0.00 N ATOM 0 H ASN A 86 114.328 18.915 -9.000 1.00 0.00 H new ATOM 0 HA ASN A 86 114.149 20.159 -6.253 1.00 0.00 H new ATOM 0 HB2 ASN A 86 113.071 20.831 -9.064 1.00 0.00 H new ATOM 0 HB3 ASN A 86 112.604 21.719 -7.628 1.00 0.00 H new ATOM 0 HD21 ASN A 86 116.134 22.950 -7.182 1.00 0.00 H new ATOM 0 HD22 ASN A 86 114.935 22.104 -6.197 1.00 0.00 H new ATOM 1445 N LYS A 87 112.381 17.845 -7.059 1.00 0.00 N ATOM 1446 CA LYS A 87 111.115 17.067 -6.874 1.00 0.00 C ATOM 1447 C LYS A 87 111.278 16.038 -5.751 1.00 0.00 C ATOM 1448 O LYS A 87 112.341 15.468 -5.584 1.00 0.00 O ATOM 1449 CB LYS A 87 110.885 16.361 -8.213 1.00 0.00 C ATOM 1450 CG LYS A 87 110.561 17.397 -9.292 1.00 0.00 C ATOM 1451 CD LYS A 87 110.222 16.683 -10.601 1.00 0.00 C ATOM 1452 CE LYS A 87 110.012 17.717 -11.708 1.00 0.00 C ATOM 1453 NZ LYS A 87 109.340 16.972 -12.809 1.00 0.00 N ATOM 0 H LYS A 87 113.194 17.282 -7.310 1.00 0.00 H new ATOM 0 HA LYS A 87 110.278 17.708 -6.597 1.00 0.00 H new ATOM 0 HB2 LYS A 87 111.773 15.794 -8.494 1.00 0.00 H new ATOM 0 HB3 LYS A 87 110.066 15.647 -8.123 1.00 0.00 H new ATOM 0 HG2 LYS A 87 109.722 18.017 -8.976 1.00 0.00 H new ATOM 0 HG3 LYS A 87 111.411 18.063 -9.439 1.00 0.00 H new ATOM 0 HD2 LYS A 87 111.027 16.001 -10.874 1.00 0.00 H new ATOM 0 HD3 LYS A 87 109.322 16.081 -10.476 1.00 0.00 H new ATOM 0 HE2 LYS A 87 109.397 18.548 -11.361 1.00 0.00 H new ATOM 0 HE3 LYS A 87 110.961 18.139 -12.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 109.163 17.616 -13.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 109.951 16.192 -13.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 108.436 16.587 -12.467 1.00 0.00 H new ATOM 1467 N LYS A 88 110.229 15.806 -4.993 1.00 0.00 N ATOM 1468 CA LYS A 88 110.270 14.788 -3.895 1.00 0.00 C ATOM 1469 C LYS A 88 109.166 13.742 -4.098 1.00 0.00 C ATOM 1470 O LYS A 88 108.016 14.085 -4.308 1.00 0.00 O ATOM 1471 CB LYS A 88 110.086 15.567 -2.582 1.00 0.00 C ATOM 1472 CG LYS A 88 108.753 16.327 -2.551 1.00 0.00 C ATOM 1473 CD LYS A 88 108.647 17.114 -1.242 1.00 0.00 C ATOM 1474 CE LYS A 88 107.222 17.648 -1.081 1.00 0.00 C ATOM 1475 NZ LYS A 88 107.030 17.792 0.389 1.00 0.00 N ATOM 0 H LYS A 88 109.335 16.287 -5.092 1.00 0.00 H new ATOM 0 HA LYS A 88 111.212 14.240 -3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 88 110.130 14.876 -1.740 1.00 0.00 H new ATOM 0 HB3 LYS A 88 110.909 16.271 -2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 88 108.688 17.005 -3.402 1.00 0.00 H new ATOM 0 HG3 LYS A 88 107.921 15.628 -2.636 1.00 0.00 H new ATOM 0 HD2 LYS A 88 108.904 16.473 -0.398 1.00 0.00 H new ATOM 0 HD3 LYS A 88 109.358 17.940 -1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 88 107.098 18.603 -1.591 1.00 0.00 H new ATOM 0 HE3 LYS A 88 106.492 16.961 -1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 106.074 18.154 0.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 107.147 16.866 0.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 107.734 18.457 0.768 1.00 0.00 H new ATOM 1489 N ILE A 89 109.522 12.479 -4.038 1.00 0.00 N ATOM 1490 CA ILE A 89 108.521 11.377 -4.212 1.00 0.00 C ATOM 1491 C ILE A 89 108.600 10.439 -3.001 1.00 0.00 C ATOM 1492 O ILE A 89 109.670 10.219 -2.462 1.00 0.00 O ATOM 1493 CB ILE A 89 108.910 10.653 -5.517 1.00 0.00 C ATOM 1494 CG1 ILE A 89 108.865 11.625 -6.703 1.00 0.00 C ATOM 1495 CG2 ILE A 89 107.934 9.505 -5.801 1.00 0.00 C ATOM 1496 CD1 ILE A 89 109.592 11.009 -7.900 1.00 0.00 C ATOM 0 H ILE A 89 110.477 12.162 -3.874 1.00 0.00 H new ATOM 0 HA ILE A 89 107.496 11.742 -4.275 1.00 0.00 H new ATOM 0 HB ILE A 89 109.920 10.263 -5.394 1.00 0.00 H new ATOM 0 HG12 ILE A 89 107.831 11.845 -6.967 1.00 0.00 H new ATOM 0 HG13 ILE A 89 109.332 12.571 -6.429 1.00 0.00 H new ATOM 0 HG21 ILE A 89 108.221 9.003 -6.725 1.00 0.00 H new ATOM 0 HG22 ILE A 89 107.962 8.792 -4.977 1.00 0.00 H new ATOM 0 HG23 ILE A 89 106.924 9.903 -5.903 1.00 0.00 H new ATOM 0 HD11 ILE A 89 109.559 11.701 -8.741 1.00 0.00 H new ATOM 0 HD12 ILE A 89 110.630 10.812 -7.633 1.00 0.00 H new ATOM 0 HD13 ILE A 89 109.106 10.074 -8.180 1.00 0.00 H new ATOM 1508 N ASP A 90 107.477 9.897 -2.583 1.00 0.00 N ATOM 1509 CA ASP A 90 107.468 8.930 -1.437 1.00 0.00 C ATOM 1510 C ASP A 90 108.038 7.581 -1.885 1.00 0.00 C ATOM 1511 O ASP A 90 107.718 7.103 -2.959 1.00 0.00 O ATOM 1512 CB ASP A 90 106.002 8.772 -1.020 1.00 0.00 C ATOM 1513 CG ASP A 90 105.484 10.095 -0.455 1.00 0.00 C ATOM 1514 OD1 ASP A 90 105.586 11.095 -1.148 1.00 0.00 O ATOM 1515 OD2 ASP A 90 104.991 10.087 0.660 1.00 0.00 O ATOM 0 H ASP A 90 106.561 10.085 -2.990 1.00 0.00 H new ATOM 0 HA ASP A 90 108.079 9.288 -0.608 1.00 0.00 H new ATOM 0 HB2 ASP A 90 105.400 8.471 -1.877 1.00 0.00 H new ATOM 0 HB3 ASP A 90 105.909 7.984 -0.272 1.00 0.00 H new ATOM 1520 N GLY A 91 108.874 6.980 -1.069 1.00 0.00 N ATOM 1521 CA GLY A 91 109.446 5.638 -1.395 1.00 0.00 C ATOM 1522 C GLY A 91 109.646 4.849 -0.099 1.00 0.00 C ATOM 1523 O GLY A 91 109.144 5.236 0.940 1.00 0.00 O ATOM 0 H GLY A 91 109.186 7.370 -0.180 1.00 0.00 H new ATOM 0 HA2 GLY A 91 108.777 5.097 -2.065 1.00 0.00 H new ATOM 0 HA3 GLY A 91 110.396 5.751 -1.916 1.00 0.00 H new ATOM 1527 N ALA A 92 110.374 3.757 -0.165 1.00 0.00 N ATOM 1528 CA ALA A 92 110.623 2.923 1.051 1.00 0.00 C ATOM 1529 C ALA A 92 111.861 2.044 0.850 1.00 0.00 C ATOM 1530 O ALA A 92 112.228 1.742 -0.269 1.00 0.00 O ATOM 1531 CB ALA A 92 109.368 2.062 1.207 1.00 0.00 C ATOM 0 H ALA A 92 110.809 3.407 -1.019 1.00 0.00 H new ATOM 0 HA ALA A 92 110.810 3.531 1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 92 109.474 1.420 2.081 1.00 0.00 H new ATOM 0 HB2 ALA A 92 108.498 2.706 1.333 1.00 0.00 H new ATOM 0 HB3 ALA A 92 109.237 1.446 0.318 1.00 0.00 H new ATOM 1537 N ILE A 93 112.491 1.643 1.931 1.00 0.00 N ATOM 1538 CA ILE A 93 113.683 0.741 1.844 1.00 0.00 C ATOM 1539 C ILE A 93 113.279 -0.647 2.355 1.00 0.00 C ATOM 1540 O ILE A 93 112.523 -0.758 3.306 1.00 0.00 O ATOM 1541 CB ILE A 93 114.765 1.365 2.749 1.00 0.00 C ATOM 1542 CG1 ILE A 93 115.103 2.790 2.290 1.00 0.00 C ATOM 1543 CG2 ILE A 93 116.049 0.529 2.695 1.00 0.00 C ATOM 1544 CD1 ILE A 93 115.880 3.512 3.394 1.00 0.00 C ATOM 0 H ILE A 93 112.226 1.906 2.880 1.00 0.00 H new ATOM 0 HA ILE A 93 114.056 0.635 0.825 1.00 0.00 H new ATOM 0 HB ILE A 93 114.372 1.389 3.765 1.00 0.00 H new ATOM 0 HG12 ILE A 93 115.695 2.758 1.375 1.00 0.00 H new ATOM 0 HG13 ILE A 93 114.188 3.335 2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 93 116.804 0.980 3.338 1.00 0.00 H new ATOM 0 HG22 ILE A 93 115.838 -0.484 3.038 1.00 0.00 H new ATOM 0 HG23 ILE A 93 116.418 0.495 1.670 1.00 0.00 H new ATOM 0 HD11 ILE A 93 116.120 4.524 3.068 1.00 0.00 H new ATOM 0 HD12 ILE A 93 115.272 3.557 4.297 1.00 0.00 H new ATOM 0 HD13 ILE A 93 116.802 2.970 3.604 1.00 0.00 H new ATOM 1556 N VAL A 94 113.780 -1.687 1.727 1.00 0.00 N ATOM 1557 CA VAL A 94 113.373 -3.083 2.091 1.00 0.00 C ATOM 1558 C VAL A 94 114.618 -3.886 2.490 1.00 0.00 C ATOM 1559 O VAL A 94 115.614 -3.875 1.790 1.00 0.00 O ATOM 1560 CB VAL A 94 112.706 -3.669 0.830 1.00 0.00 C ATOM 1561 CG1 VAL A 94 112.220 -5.099 1.096 1.00 0.00 C ATOM 1562 CG2 VAL A 94 111.492 -2.824 0.426 1.00 0.00 C ATOM 0 H VAL A 94 114.461 -1.626 0.970 1.00 0.00 H new ATOM 0 HA VAL A 94 112.686 -3.113 2.937 1.00 0.00 H new ATOM 0 HB VAL A 94 113.448 -3.667 0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 94 111.752 -5.498 0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 94 113.068 -5.726 1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 94 111.494 -5.091 1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 94 111.032 -3.251 -0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 94 110.767 -2.816 1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 94 111.813 -1.804 0.216 1.00 0.00 H new ATOM 1572 N VAL A 95 114.553 -4.575 3.608 1.00 0.00 N ATOM 1573 CA VAL A 95 115.679 -5.460 4.044 1.00 0.00 C ATOM 1574 C VAL A 95 115.085 -6.734 4.681 1.00 0.00 C ATOM 1575 O VAL A 95 114.220 -6.613 5.528 1.00 0.00 O ATOM 1576 CB VAL A 95 116.480 -4.639 5.074 1.00 0.00 C ATOM 1577 CG1 VAL A 95 117.672 -5.451 5.595 1.00 0.00 C ATOM 1578 CG2 VAL A 95 117.021 -3.359 4.427 1.00 0.00 C ATOM 0 H VAL A 95 113.755 -4.560 4.244 1.00 0.00 H new ATOM 0 HA VAL A 95 116.323 -5.771 3.221 1.00 0.00 H new ATOM 0 HB VAL A 95 115.810 -4.390 5.897 1.00 0.00 H new ATOM 0 HG11 VAL A 95 118.227 -4.857 6.321 1.00 0.00 H new ATOM 0 HG12 VAL A 95 117.311 -6.362 6.072 1.00 0.00 H new ATOM 0 HG13 VAL A 95 118.326 -5.711 4.763 1.00 0.00 H new ATOM 0 HG21 VAL A 95 117.585 -2.788 5.165 1.00 0.00 H new ATOM 0 HG22 VAL A 95 117.674 -3.620 3.594 1.00 0.00 H new ATOM 0 HG23 VAL A 95 116.189 -2.757 4.061 1.00 0.00 H new ATOM 1588 N PRO A 96 115.540 -7.914 4.277 1.00 0.00 N ATOM 1589 CA PRO A 96 115.042 -9.189 4.896 1.00 0.00 C ATOM 1590 C PRO A 96 115.300 -9.222 6.410 1.00 0.00 C ATOM 1591 O PRO A 96 116.203 -8.565 6.898 1.00 0.00 O ATOM 1592 CB PRO A 96 115.865 -10.268 4.188 1.00 0.00 C ATOM 1593 CG PRO A 96 116.222 -9.640 2.887 1.00 0.00 C ATOM 1594 CD PRO A 96 116.532 -8.214 3.223 1.00 0.00 C ATOM 0 HA PRO A 96 113.966 -9.316 4.781 1.00 0.00 H new ATOM 0 HB2 PRO A 96 116.753 -10.535 4.761 1.00 0.00 H new ATOM 0 HB3 PRO A 96 115.289 -11.183 4.047 1.00 0.00 H new ATOM 0 HG2 PRO A 96 117.080 -10.134 2.431 1.00 0.00 H new ATOM 0 HG3 PRO A 96 115.399 -9.709 2.175 1.00 0.00 H new ATOM 0 HD2 PRO A 96 117.554 -8.094 3.581 1.00 0.00 H new ATOM 0 HD3 PRO A 96 116.418 -7.559 2.359 1.00 0.00 H new ATOM 1602 N LYS A 97 114.512 -9.984 7.138 1.00 0.00 N ATOM 1603 CA LYS A 97 114.689 -10.087 8.627 1.00 0.00 C ATOM 1604 C LYS A 97 116.036 -10.738 8.966 1.00 0.00 C ATOM 1605 O LYS A 97 116.658 -10.387 9.954 1.00 0.00 O ATOM 1606 CB LYS A 97 113.536 -10.960 9.137 1.00 0.00 C ATOM 1607 CG LYS A 97 113.490 -10.914 10.667 1.00 0.00 C ATOM 1608 CD LYS A 97 112.414 -11.875 11.175 1.00 0.00 C ATOM 1609 CE LYS A 97 112.350 -11.811 12.702 1.00 0.00 C ATOM 1610 NZ LYS A 97 111.552 -10.590 13.003 1.00 0.00 N ATOM 0 H LYS A 97 113.747 -10.544 6.761 1.00 0.00 H new ATOM 0 HA LYS A 97 114.680 -9.102 9.093 1.00 0.00 H new ATOM 0 HB2 LYS A 97 112.591 -10.608 8.725 1.00 0.00 H new ATOM 0 HB3 LYS A 97 113.668 -11.988 8.798 1.00 0.00 H new ATOM 0 HG2 LYS A 97 114.461 -11.188 11.079 1.00 0.00 H new ATOM 0 HG3 LYS A 97 113.276 -9.900 11.005 1.00 0.00 H new ATOM 0 HD2 LYS A 97 111.446 -11.612 10.749 1.00 0.00 H new ATOM 0 HD3 LYS A 97 112.638 -12.892 10.852 1.00 0.00 H new ATOM 0 HE2 LYS A 97 111.878 -12.703 13.115 1.00 0.00 H new ATOM 0 HE3 LYS A 97 113.348 -11.748 13.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 112.074 -9.991 13.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 111.383 -10.060 12.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 110.641 -10.865 13.422 1.00 0.00 H new ATOM 1624 N LYS A 98 116.476 -11.672 8.152 1.00 0.00 N ATOM 1625 CA LYS A 98 117.752 -12.404 8.436 1.00 0.00 C ATOM 1626 C LYS A 98 118.941 -11.646 7.839 1.00 0.00 C ATOM 1627 O LYS A 98 118.992 -11.416 6.643 1.00 0.00 O ATOM 1628 CB LYS A 98 117.600 -13.774 7.769 1.00 0.00 C ATOM 1629 CG LYS A 98 118.743 -14.690 8.214 1.00 0.00 C ATOM 1630 CD LYS A 98 118.632 -16.033 7.491 1.00 0.00 C ATOM 1631 CE LYS A 98 119.682 -17.000 8.043 1.00 0.00 C ATOM 1632 NZ LYS A 98 119.933 -17.967 6.938 1.00 0.00 N ATOM 0 H LYS A 98 116.001 -11.959 7.297 1.00 0.00 H new ATOM 0 HA LYS A 98 117.936 -12.498 9.506 1.00 0.00 H new ATOM 0 HB2 LYS A 98 116.640 -14.216 8.037 1.00 0.00 H new ATOM 0 HB3 LYS A 98 117.609 -13.665 6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 98 119.703 -14.224 7.993 1.00 0.00 H new ATOM 0 HG3 LYS A 98 118.703 -14.841 9.293 1.00 0.00 H new ATOM 0 HD2 LYS A 98 117.633 -16.449 7.625 1.00 0.00 H new ATOM 0 HD3 LYS A 98 118.778 -15.894 6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 98 120.595 -16.474 8.322 1.00 0.00 H new ATOM 0 HE3 LYS A 98 119.320 -17.507 8.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 120.644 -18.663 7.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 119.048 -18.457 6.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 120.283 -17.456 6.102 1.00 0.00 H new ATOM 1646 N THR A 99 119.884 -11.263 8.669 1.00 0.00 N ATOM 1647 CA THR A 99 121.106 -10.548 8.183 1.00 0.00 C ATOM 1648 C THR A 99 122.342 -11.005 8.970 1.00 0.00 C ATOM 1649 O THR A 99 122.230 -11.414 10.112 1.00 0.00 O ATOM 1650 CB THR A 99 120.826 -9.049 8.388 1.00 0.00 C ATOM 1651 OG1 THR A 99 121.948 -8.301 7.941 1.00 0.00 O ATOM 1652 CG2 THR A 99 120.555 -8.719 9.862 1.00 0.00 C ATOM 0 H THR A 99 119.857 -11.419 9.677 1.00 0.00 H new ATOM 0 HA THR A 99 121.314 -10.763 7.135 1.00 0.00 H new ATOM 0 HB THR A 99 119.936 -8.789 7.814 1.00 0.00 H new ATOM 0 HG1 THR A 99 121.775 -7.345 8.067 1.00 0.00 H new ATOM 0 HG21 THR A 99 120.362 -7.651 9.966 1.00 0.00 H new ATOM 0 HG22 THR A 99 119.687 -9.280 10.207 1.00 0.00 H new ATOM 0 HG23 THR A 99 121.424 -8.991 10.461 1.00 0.00 H new ATOM 1660 N TYR A 100 123.503 -10.933 8.359 1.00 0.00 N ATOM 1661 CA TYR A 100 124.765 -11.358 9.040 1.00 0.00 C ATOM 1662 C TYR A 100 125.507 -10.137 9.593 1.00 0.00 C ATOM 1663 O TYR A 100 125.753 -10.049 10.782 1.00 0.00 O ATOM 1664 CB TYR A 100 125.595 -12.042 7.951 1.00 0.00 C ATOM 1665 CG TYR A 100 124.941 -13.278 7.382 1.00 0.00 C ATOM 1666 CD1 TYR A 100 125.049 -14.526 8.071 1.00 0.00 C ATOM 1667 CD2 TYR A 100 124.214 -13.201 6.153 1.00 0.00 C ATOM 1668 CE1 TYR A 100 124.431 -15.696 7.531 1.00 0.00 C ATOM 1669 CE2 TYR A 100 123.595 -14.371 5.615 1.00 0.00 C ATOM 1670 CZ TYR A 100 123.704 -15.619 6.303 1.00 0.00 C ATOM 1671 OH TYR A 100 123.106 -16.749 5.782 1.00 0.00 O ATOM 0 H TYR A 100 123.628 -10.593 7.405 1.00 0.00 H new ATOM 0 HA TYR A 100 124.574 -12.022 9.883 1.00 0.00 H new ATOM 0 HB2 TYR A 100 125.776 -11.332 7.144 1.00 0.00 H new ATOM 0 HB3 TYR A 100 126.568 -12.312 8.362 1.00 0.00 H new ATOM 0 HD1 TYR A 100 125.598 -14.585 8.999 1.00 0.00 H new ATOM 0 HD2 TYR A 100 124.133 -12.259 5.632 1.00 0.00 H new ATOM 0 HE1 TYR A 100 124.513 -16.639 8.051 1.00 0.00 H new ATOM 0 HE2 TYR A 100 123.044 -14.312 4.688 1.00 0.00 H new ATOM 0 HH TYR A 100 122.652 -16.522 4.944 1.00 0.00 H new ATOM 1681 N HIS A 101 125.854 -9.207 8.732 1.00 0.00 N ATOM 1682 CA HIS A 101 126.602 -7.986 9.166 1.00 0.00 C ATOM 1683 C HIS A 101 126.017 -6.743 8.490 1.00 0.00 C ATOM 1684 O HIS A 101 125.194 -6.855 7.598 1.00 0.00 O ATOM 1685 CB HIS A 101 128.041 -8.223 8.707 1.00 0.00 C ATOM 1686 CG HIS A 101 129.007 -7.177 9.193 1.00 0.00 C ATOM 1687 ND1 HIS A 101 129.313 -7.019 10.535 1.00 0.00 N ATOM 1688 CD2 HIS A 101 129.743 -6.227 8.527 1.00 0.00 C ATOM 1689 CE1 HIS A 101 130.197 -6.012 10.635 1.00 0.00 C ATOM 1690 NE2 HIS A 101 130.494 -5.492 9.441 1.00 0.00 N ATOM 0 H HIS A 101 125.647 -9.245 7.734 1.00 0.00 H new ATOM 0 HA HIS A 101 126.540 -7.820 10.242 1.00 0.00 H new ATOM 0 HB2 HIS A 101 128.370 -9.201 9.059 1.00 0.00 H new ATOM 0 HB3 HIS A 101 128.066 -8.251 7.618 1.00 0.00 H new ATOM 0 HD2 HIS A 101 129.740 -6.074 7.458 1.00 0.00 H new ATOM 0 HE1 HIS A 101 130.617 -5.665 11.568 1.00 0.00 H new ATOM 0 HE2 HIS A 101 131.133 -4.722 9.242 1.00 0.00 H new ATOM 1698 N SER A 102 126.442 -5.572 8.913 1.00 0.00 N ATOM 1699 CA SER A 102 125.941 -4.301 8.296 1.00 0.00 C ATOM 1700 C SER A 102 126.725 -3.997 7.017 1.00 0.00 C ATOM 1701 O SER A 102 127.881 -4.362 6.899 1.00 0.00 O ATOM 1702 CB SER A 102 126.169 -3.206 9.341 1.00 0.00 C ATOM 1703 OG SER A 102 127.566 -3.000 9.509 1.00 0.00 O ATOM 0 H SER A 102 127.119 -5.444 9.665 1.00 0.00 H new ATOM 0 HA SER A 102 124.888 -4.371 8.022 1.00 0.00 H new ATOM 0 HB2 SER A 102 125.689 -2.280 9.025 1.00 0.00 H new ATOM 0 HB3 SER A 102 125.715 -3.493 10.290 1.00 0.00 H new ATOM 0 HG SER A 102 127.836 -2.187 9.034 1.00 0.00 H new ATOM 1709 N SER A 103 126.098 -3.331 6.073 1.00 0.00 N ATOM 1710 CA SER A 103 126.756 -3.039 4.763 1.00 0.00 C ATOM 1711 C SER A 103 126.511 -1.583 4.355 1.00 0.00 C ATOM 1712 O SER A 103 125.786 -0.866 5.022 1.00 0.00 O ATOM 1713 CB SER A 103 126.095 -3.991 3.766 1.00 0.00 C ATOM 1714 OG SER A 103 126.360 -5.333 4.154 1.00 0.00 O ATOM 0 H SER A 103 125.146 -2.974 6.159 1.00 0.00 H new ATOM 0 HA SER A 103 127.836 -3.178 4.807 1.00 0.00 H new ATOM 0 HB2 SER A 103 125.020 -3.815 3.735 1.00 0.00 H new ATOM 0 HB3 SER A 103 126.477 -3.808 2.762 1.00 0.00 H new ATOM 0 HG SER A 103 125.937 -5.947 3.518 1.00 0.00 H new ATOM 1720 N GLU A 104 127.118 -1.156 3.270 1.00 0.00 N ATOM 1721 CA GLU A 104 126.895 0.227 2.746 1.00 0.00 C ATOM 1722 C GLU A 104 126.024 0.201 1.485 1.00 0.00 C ATOM 1723 O GLU A 104 126.127 1.086 0.656 1.00 0.00 O ATOM 1724 CB GLU A 104 128.297 0.754 2.415 1.00 0.00 C ATOM 1725 CG GLU A 104 128.899 1.448 3.639 1.00 0.00 C ATOM 1726 CD GLU A 104 130.347 1.848 3.345 1.00 0.00 C ATOM 1727 OE1 GLU A 104 131.068 1.033 2.791 1.00 0.00 O ATOM 1728 OE2 GLU A 104 130.710 2.963 3.679 1.00 0.00 O ATOM 0 H GLU A 104 127.767 -1.718 2.720 1.00 0.00 H new ATOM 0 HA GLU A 104 126.375 0.855 3.469 1.00 0.00 H new ATOM 0 HB2 GLU A 104 128.939 -0.069 2.101 1.00 0.00 H new ATOM 0 HB3 GLU A 104 128.244 1.453 1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 104 128.312 2.331 3.894 1.00 0.00 H new ATOM 0 HG3 GLU A 104 128.863 0.782 4.501 1.00 0.00 H new ATOM 1735 N ILE A 105 125.177 -0.795 1.339 1.00 0.00 N ATOM 1736 CA ILE A 105 124.291 -0.889 0.134 1.00 0.00 C ATOM 1737 C ILE A 105 122.830 -0.965 0.594 1.00 0.00 C ATOM 1738 O ILE A 105 122.483 -1.790 1.420 1.00 0.00 O ATOM 1739 CB ILE A 105 124.708 -2.178 -0.606 1.00 0.00 C ATOM 1740 CG1 ILE A 105 126.212 -2.168 -0.962 1.00 0.00 C ATOM 1741 CG2 ILE A 105 123.884 -2.351 -1.890 1.00 0.00 C ATOM 1742 CD1 ILE A 105 126.587 -0.969 -1.846 1.00 0.00 C ATOM 0 H ILE A 105 125.062 -1.553 2.011 1.00 0.00 H new ATOM 0 HA ILE A 105 124.387 -0.025 -0.523 1.00 0.00 H new ATOM 0 HB ILE A 105 124.517 -3.014 0.067 1.00 0.00 H new ATOM 0 HG12 ILE A 105 126.801 -2.141 -0.045 1.00 0.00 H new ATOM 0 HG13 ILE A 105 126.468 -3.093 -1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 105 124.191 -3.265 -2.399 1.00 0.00 H new ATOM 0 HG22 ILE A 105 122.826 -2.415 -1.637 1.00 0.00 H new ATOM 0 HG23 ILE A 105 124.050 -1.497 -2.546 1.00 0.00 H new ATOM 0 HD11 ILE A 105 127.653 -1.002 -2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 105 126.018 -1.010 -2.775 1.00 0.00 H new ATOM 0 HD13 ILE A 105 126.356 -0.043 -1.320 1.00 0.00 H new ATOM 1754 N ILE A 106 121.987 -0.109 0.061 1.00 0.00 N ATOM 1755 CA ILE A 106 120.526 -0.146 0.393 1.00 0.00 C ATOM 1756 C ILE A 106 119.695 -0.254 -0.891 1.00 0.00 C ATOM 1757 O ILE A 106 120.064 0.303 -1.910 1.00 0.00 O ATOM 1758 CB ILE A 106 120.213 1.160 1.148 1.00 0.00 C ATOM 1759 CG1 ILE A 106 120.588 2.394 0.313 1.00 0.00 C ATOM 1760 CG2 ILE A 106 120.994 1.192 2.464 1.00 0.00 C ATOM 1761 CD1 ILE A 106 119.944 3.640 0.927 1.00 0.00 C ATOM 0 H ILE A 106 122.254 0.622 -0.598 1.00 0.00 H new ATOM 0 HA ILE A 106 120.278 -1.012 1.007 1.00 0.00 H new ATOM 0 HB ILE A 106 119.141 1.186 1.343 1.00 0.00 H new ATOM 0 HG12 ILE A 106 121.671 2.509 0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 106 120.251 2.267 -0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 106 120.771 2.117 2.997 1.00 0.00 H new ATOM 0 HG22 ILE A 106 120.705 0.340 3.079 1.00 0.00 H new ATOM 0 HG23 ILE A 106 122.062 1.142 2.254 1.00 0.00 H new ATOM 0 HD11 ILE A 106 120.210 4.516 0.335 1.00 0.00 H new ATOM 0 HD12 ILE A 106 118.860 3.523 0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 106 120.303 3.770 1.948 1.00 0.00 H new ATOM 1773 N GLU A 107 118.590 -0.963 -0.837 1.00 0.00 N ATOM 1774 CA GLU A 107 117.702 -1.102 -2.032 1.00 0.00 C ATOM 1775 C GLU A 107 116.341 -0.459 -1.751 1.00 0.00 C ATOM 1776 O GLU A 107 115.723 -0.727 -0.735 1.00 0.00 O ATOM 1777 CB GLU A 107 117.549 -2.608 -2.250 1.00 0.00 C ATOM 1778 CG GLU A 107 118.736 -3.133 -3.058 1.00 0.00 C ATOM 1779 CD GLU A 107 118.567 -4.632 -3.313 1.00 0.00 C ATOM 1780 OE1 GLU A 107 118.202 -5.336 -2.386 1.00 0.00 O ATOM 1781 OE2 GLU A 107 118.806 -5.052 -4.434 1.00 0.00 O ATOM 0 H GLU A 107 118.265 -1.456 -0.005 1.00 0.00 H new ATOM 0 HA GLU A 107 118.115 -0.608 -2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 107 117.495 -3.121 -1.290 1.00 0.00 H new ATOM 0 HB3 GLU A 107 116.617 -2.817 -2.776 1.00 0.00 H new ATOM 0 HG2 GLU A 107 118.807 -2.599 -4.006 1.00 0.00 H new ATOM 0 HG3 GLU A 107 119.665 -2.949 -2.518 1.00 0.00 H new ATOM 1788 N ILE A 108 115.885 0.379 -2.652 1.00 0.00 N ATOM 1789 CA ILE A 108 114.632 1.166 -2.419 1.00 0.00 C ATOM 1790 C ILE A 108 113.564 0.743 -3.438 1.00 0.00 C ATOM 1791 O ILE A 108 113.882 0.326 -4.535 1.00 0.00 O ATOM 1792 CB ILE A 108 115.043 2.641 -2.607 1.00 0.00 C ATOM 1793 CG1 ILE A 108 116.089 3.034 -1.558 1.00 0.00 C ATOM 1794 CG2 ILE A 108 113.831 3.571 -2.449 1.00 0.00 C ATOM 1795 CD1 ILE A 108 116.761 4.346 -1.965 1.00 0.00 C ATOM 0 H ILE A 108 116.334 0.553 -3.551 1.00 0.00 H new ATOM 0 HA ILE A 108 114.204 1.003 -1.430 1.00 0.00 H new ATOM 0 HB ILE A 108 115.455 2.745 -3.611 1.00 0.00 H new ATOM 0 HG12 ILE A 108 115.616 3.144 -0.582 1.00 0.00 H new ATOM 0 HG13 ILE A 108 116.836 2.246 -1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 108 114.146 4.606 -2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 108 113.079 3.319 -3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 108 113.407 3.450 -1.452 1.00 0.00 H new ATOM 0 HD11 ILE A 108 117.504 4.622 -1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 108 117.249 4.220 -2.932 1.00 0.00 H new ATOM 0 HD13 ILE A 108 116.010 5.132 -2.037 1.00 0.00 H new ATOM 1807 N ILE A 109 112.311 0.851 -3.064 1.00 0.00 N ATOM 1808 CA ILE A 109 111.188 0.697 -4.044 1.00 0.00 C ATOM 1809 C ILE A 109 110.413 2.017 -4.148 1.00 0.00 C ATOM 1810 O ILE A 109 110.419 2.806 -3.218 1.00 0.00 O ATOM 1811 CB ILE A 109 110.292 -0.438 -3.519 1.00 0.00 C ATOM 1812 CG1 ILE A 109 109.782 -0.143 -2.099 1.00 0.00 C ATOM 1813 CG2 ILE A 109 111.081 -1.748 -3.506 1.00 0.00 C ATOM 1814 CD1 ILE A 109 108.490 -0.925 -1.846 1.00 0.00 C ATOM 0 H ILE A 109 112.015 1.042 -2.107 1.00 0.00 H new ATOM 0 HA ILE A 109 111.552 0.454 -5.042 1.00 0.00 H new ATOM 0 HB ILE A 109 109.431 -0.520 -4.183 1.00 0.00 H new ATOM 0 HG12 ILE A 109 110.538 -0.422 -1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 109 109.602 0.925 -1.981 1.00 0.00 H new ATOM 0 HG21 ILE A 109 110.446 -2.552 -3.134 1.00 0.00 H new ATOM 0 HG22 ILE A 109 111.410 -1.985 -4.518 1.00 0.00 H new ATOM 0 HG23 ILE A 109 111.950 -1.643 -2.857 1.00 0.00 H new ATOM 0 HD11 ILE A 109 108.129 -0.715 -0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 109 107.735 -0.624 -2.572 1.00 0.00 H new ATOM 0 HD13 ILE A 109 108.685 -1.993 -1.946 1.00 0.00 H new ATOM 1826 N ALA A 110 109.759 2.246 -5.263 1.00 0.00 N ATOM 1827 CA ALA A 110 109.032 3.534 -5.485 1.00 0.00 C ATOM 1828 C ALA A 110 107.732 3.285 -6.268 1.00 0.00 C ATOM 1829 O ALA A 110 107.570 2.211 -6.819 1.00 0.00 O ATOM 1830 CB ALA A 110 109.994 4.409 -6.291 1.00 0.00 C ATOM 0 H ALA A 110 109.699 1.585 -6.038 1.00 0.00 H new ATOM 0 HA ALA A 110 108.747 4.011 -4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 110 109.527 5.373 -6.492 1.00 0.00 H new ATOM 0 HB2 ALA A 110 110.911 4.561 -5.722 1.00 0.00 H new ATOM 0 HB3 ALA A 110 110.230 3.917 -7.234 1.00 0.00 H new ATOM 1836 N PRO A 111 106.836 4.262 -6.303 1.00 0.00 N ATOM 1837 CA PRO A 111 105.565 4.120 -7.089 1.00 0.00 C ATOM 1838 C PRO A 111 105.851 3.888 -8.580 1.00 0.00 C ATOM 1839 O PRO A 111 105.103 3.200 -9.253 1.00 0.00 O ATOM 1840 CB PRO A 111 104.868 5.467 -6.876 1.00 0.00 C ATOM 1841 CG PRO A 111 105.427 5.953 -5.585 1.00 0.00 C ATOM 1842 CD PRO A 111 106.876 5.579 -5.633 1.00 0.00 C ATOM 0 HA PRO A 111 104.966 3.267 -6.770 1.00 0.00 H new ATOM 0 HB2 PRO A 111 105.079 6.160 -7.690 1.00 0.00 H new ATOM 0 HB3 PRO A 111 103.785 5.354 -6.826 1.00 0.00 H new ATOM 0 HG2 PRO A 111 105.299 7.030 -5.479 1.00 0.00 H new ATOM 0 HG3 PRO A 111 104.926 5.488 -4.736 1.00 0.00 H new ATOM 0 HD2 PRO A 111 107.465 6.304 -6.195 1.00 0.00 H new ATOM 0 HD3 PRO A 111 107.314 5.516 -4.637 1.00 0.00 H new ATOM 1850 N MET A 112 106.922 4.462 -9.083 1.00 0.00 N ATOM 1851 CA MET A 112 107.278 4.304 -10.528 1.00 0.00 C ATOM 1852 C MET A 112 108.803 4.252 -10.709 1.00 0.00 C ATOM 1853 O MET A 112 109.544 4.663 -9.833 1.00 0.00 O ATOM 1854 CB MET A 112 106.610 5.480 -11.281 1.00 0.00 C ATOM 1855 CG MET A 112 107.350 6.829 -11.156 1.00 0.00 C ATOM 1856 SD MET A 112 107.212 7.510 -9.484 1.00 0.00 S ATOM 1857 CE MET A 112 105.441 7.884 -9.537 1.00 0.00 C ATOM 0 H MET A 112 107.570 5.039 -8.546 1.00 0.00 H new ATOM 0 HA MET A 112 106.912 3.362 -10.937 1.00 0.00 H new ATOM 0 HB2 MET A 112 106.532 5.220 -12.337 1.00 0.00 H new ATOM 0 HB3 MET A 112 105.594 5.603 -10.907 1.00 0.00 H new ATOM 0 HG2 MET A 112 108.402 6.693 -11.409 1.00 0.00 H new ATOM 0 HG3 MET A 112 106.939 7.539 -11.874 1.00 0.00 H new ATOM 0 HE1 MET A 112 105.162 8.449 -8.648 1.00 0.00 H new ATOM 0 HE2 MET A 112 105.220 8.475 -10.426 1.00 0.00 H new ATOM 0 HE3 MET A 112 104.874 6.954 -9.569 1.00 0.00 H new ATOM 1867 N LYS A 113 109.259 3.752 -11.838 1.00 0.00 N ATOM 1868 CA LYS A 113 110.736 3.639 -12.095 1.00 0.00 C ATOM 1869 C LYS A 113 111.398 5.027 -12.131 1.00 0.00 C ATOM 1870 O LYS A 113 111.251 5.774 -13.084 1.00 0.00 O ATOM 1871 CB LYS A 113 110.898 2.887 -13.428 1.00 0.00 C ATOM 1872 CG LYS A 113 110.255 3.647 -14.596 1.00 0.00 C ATOM 1873 CD LYS A 113 110.017 2.683 -15.760 1.00 0.00 C ATOM 1874 CE LYS A 113 109.662 3.477 -17.020 1.00 0.00 C ATOM 1875 NZ LYS A 113 108.851 2.541 -17.847 1.00 0.00 N ATOM 0 H LYS A 113 108.667 3.415 -12.597 1.00 0.00 H new ATOM 0 HA LYS A 113 111.234 3.094 -11.293 1.00 0.00 H new ATOM 0 HB2 LYS A 113 111.958 2.736 -13.633 1.00 0.00 H new ATOM 0 HB3 LYS A 113 110.445 1.899 -13.345 1.00 0.00 H new ATOM 0 HG2 LYS A 113 109.312 4.092 -14.279 1.00 0.00 H new ATOM 0 HG3 LYS A 113 110.903 4.464 -14.913 1.00 0.00 H new ATOM 0 HD2 LYS A 113 110.909 2.082 -15.936 1.00 0.00 H new ATOM 0 HD3 LYS A 113 109.211 1.992 -15.514 1.00 0.00 H new ATOM 0 HE2 LYS A 113 109.098 4.377 -16.774 1.00 0.00 H new ATOM 0 HE3 LYS A 113 110.559 3.798 -17.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 108.569 3.013 -18.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 109.416 1.697 -18.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 108.001 2.258 -17.319 1.00 0.00 H new ATOM 1889 N LEU A 114 112.127 5.366 -11.088 1.00 0.00 N ATOM 1890 CA LEU A 114 112.794 6.712 -11.003 1.00 0.00 C ATOM 1891 C LEU A 114 113.774 6.926 -12.162 1.00 0.00 C ATOM 1892 O LEU A 114 113.937 8.037 -12.632 1.00 0.00 O ATOM 1893 CB LEU A 114 113.558 6.731 -9.673 1.00 0.00 C ATOM 1894 CG LEU A 114 112.570 6.659 -8.507 1.00 0.00 C ATOM 1895 CD1 LEU A 114 113.335 6.398 -7.208 1.00 0.00 C ATOM 1896 CD2 LEU A 114 111.816 7.986 -8.389 1.00 0.00 C ATOM 0 H LEU A 114 112.290 4.761 -10.283 1.00 0.00 H new ATOM 0 HA LEU A 114 112.051 7.507 -11.061 1.00 0.00 H new ATOM 0 HB2 LEU A 114 114.250 5.890 -9.628 1.00 0.00 H new ATOM 0 HB3 LEU A 114 114.156 7.639 -9.599 1.00 0.00 H new ATOM 0 HG LEU A 114 111.860 5.851 -8.685 1.00 0.00 H new ATOM 0 HD11 LEU A 114 112.633 6.346 -6.376 1.00 0.00 H new ATOM 0 HD12 LEU A 114 113.874 5.454 -7.287 1.00 0.00 H new ATOM 0 HD13 LEU A 114 114.044 7.207 -7.034 1.00 0.00 H new ATOM 0 HD21 LEU A 114 111.113 7.932 -7.558 1.00 0.00 H new ATOM 0 HD22 LEU A 114 112.526 8.794 -8.212 1.00 0.00 H new ATOM 0 HD23 LEU A 114 111.271 8.178 -9.313 1.00 0.00 H new ATOM 1908 N ARG A 115 114.415 5.872 -12.619 1.00 0.00 N ATOM 1909 CA ARG A 115 115.491 6.012 -13.661 1.00 0.00 C ATOM 1910 C ARG A 115 114.922 6.584 -14.963 1.00 0.00 C ATOM 1911 O ARG A 115 115.594 7.340 -15.642 1.00 0.00 O ATOM 1912 CB ARG A 115 116.050 4.609 -13.911 1.00 0.00 C ATOM 1913 CG ARG A 115 116.748 4.100 -12.649 1.00 0.00 C ATOM 1914 CD ARG A 115 117.415 2.752 -12.937 1.00 0.00 C ATOM 1915 NE ARG A 115 116.283 1.799 -13.169 1.00 0.00 N ATOM 1916 CZ ARG A 115 115.583 1.269 -12.185 1.00 0.00 C ATOM 1917 NH1 ARG A 115 115.816 1.530 -10.919 1.00 0.00 N ATOM 1918 NH2 ARG A 115 114.614 0.447 -12.483 1.00 0.00 N ATOM 0 H ARG A 115 114.239 4.915 -12.314 1.00 0.00 H new ATOM 0 HA ARG A 115 116.267 6.696 -13.316 1.00 0.00 H new ATOM 0 HB2 ARG A 115 115.244 3.931 -14.191 1.00 0.00 H new ATOM 0 HB3 ARG A 115 116.753 4.630 -14.744 1.00 0.00 H new ATOM 0 HG2 ARG A 115 117.494 4.822 -12.318 1.00 0.00 H new ATOM 0 HG3 ARG A 115 116.026 3.994 -11.840 1.00 0.00 H new ATOM 0 HD2 ARG A 115 118.065 2.812 -13.810 1.00 0.00 H new ATOM 0 HD3 ARG A 115 118.035 2.432 -12.099 1.00 0.00 H new ATOM 0 HE ARG A 115 116.043 1.549 -14.129 1.00 0.00 H new ATOM 0 HH11 ARG A 115 116.568 2.169 -10.660 1.00 0.00 H new ATOM 0 HH12 ARG A 115 115.245 1.094 -10.195 1.00 0.00 H new ATOM 0 HH21 ARG A 115 114.413 0.228 -13.459 1.00 0.00 H new ATOM 0 HH22 ARG A 115 114.058 0.024 -11.740 1.00 0.00 H new ATOM 1932 N GLU A 116 113.704 6.225 -15.298 1.00 0.00 N ATOM 1933 CA GLU A 116 113.062 6.769 -16.535 1.00 0.00 C ATOM 1934 C GLU A 116 112.565 8.189 -16.262 1.00 0.00 C ATOM 1935 O GLU A 116 112.827 9.095 -17.034 1.00 0.00 O ATOM 1936 CB GLU A 116 111.893 5.835 -16.866 1.00 0.00 C ATOM 1937 CG GLU A 116 111.429 6.086 -18.303 1.00 0.00 C ATOM 1938 CD GLU A 116 112.464 5.534 -19.287 1.00 0.00 C ATOM 1939 OE1 GLU A 116 112.956 4.442 -19.055 1.00 0.00 O ATOM 1940 OE2 GLU A 116 112.749 6.215 -20.259 1.00 0.00 O ATOM 0 H GLU A 116 113.126 5.576 -14.764 1.00 0.00 H new ATOM 0 HA GLU A 116 113.760 6.816 -17.371 1.00 0.00 H new ATOM 0 HB2 GLU A 116 112.200 4.796 -16.748 1.00 0.00 H new ATOM 0 HB3 GLU A 116 111.070 6.005 -16.172 1.00 0.00 H new ATOM 0 HG2 GLU A 116 110.463 5.609 -18.471 1.00 0.00 H new ATOM 0 HG3 GLU A 116 111.290 7.154 -18.469 1.00 0.00 H new ATOM 1947 N GLN A 117 111.869 8.384 -15.163 1.00 0.00 N ATOM 1948 CA GLN A 117 111.195 9.700 -14.897 1.00 0.00 C ATOM 1949 C GLN A 117 112.222 10.834 -14.786 1.00 0.00 C ATOM 1950 O GLN A 117 111.946 11.953 -15.185 1.00 0.00 O ATOM 1951 CB GLN A 117 110.439 9.541 -13.572 1.00 0.00 C ATOM 1952 CG GLN A 117 109.328 8.502 -13.733 1.00 0.00 C ATOM 1953 CD GLN A 117 108.203 9.081 -14.594 1.00 0.00 C ATOM 1954 OE1 GLN A 117 107.752 10.186 -14.361 1.00 0.00 O ATOM 1955 NE2 GLN A 117 107.727 8.378 -15.584 1.00 0.00 N ATOM 0 H GLN A 117 111.738 7.683 -14.434 1.00 0.00 H new ATOM 0 HA GLN A 117 110.522 9.959 -15.714 1.00 0.00 H new ATOM 0 HB2 GLN A 117 111.127 9.233 -12.785 1.00 0.00 H new ATOM 0 HB3 GLN A 117 110.014 10.498 -13.268 1.00 0.00 H new ATOM 0 HG2 GLN A 117 109.726 7.599 -14.196 1.00 0.00 H new ATOM 0 HG3 GLN A 117 108.940 8.215 -12.755 1.00 0.00 H new ATOM 0 HE21 GLN A 117 108.105 7.451 -15.780 1.00 0.00 H new ATOM 0 HE22 GLN A 117 106.977 8.755 -16.163 1.00 0.00 H new ATOM 1964 N PHE A 118 113.388 10.548 -14.253 1.00 0.00 N ATOM 1965 CA PHE A 118 114.427 11.607 -14.058 1.00 0.00 C ATOM 1966 C PHE A 118 115.606 11.465 -15.035 1.00 0.00 C ATOM 1967 O PHE A 118 116.598 12.154 -14.885 1.00 0.00 O ATOM 1968 CB PHE A 118 114.908 11.417 -12.619 1.00 0.00 C ATOM 1969 CG PHE A 118 113.873 11.791 -11.585 1.00 0.00 C ATOM 1970 CD1 PHE A 118 112.951 10.808 -11.109 1.00 0.00 C ATOM 1971 CD2 PHE A 118 113.818 13.127 -11.080 1.00 0.00 C ATOM 1972 CE1 PHE A 118 111.971 11.162 -10.129 1.00 0.00 C ATOM 1973 CE2 PHE A 118 112.838 13.481 -10.101 1.00 0.00 C ATOM 1974 CZ PHE A 118 111.915 12.499 -9.625 1.00 0.00 C ATOM 0 H PHE A 118 113.665 9.617 -13.942 1.00 0.00 H new ATOM 0 HA PHE A 118 114.012 12.597 -14.246 1.00 0.00 H new ATOM 0 HB2 PHE A 118 115.195 10.375 -12.474 1.00 0.00 H new ATOM 0 HB3 PHE A 118 115.803 12.019 -12.461 1.00 0.00 H new ATOM 0 HD1 PHE A 118 112.994 9.798 -11.489 1.00 0.00 H new ATOM 0 HD2 PHE A 118 114.517 13.869 -11.438 1.00 0.00 H new ATOM 0 HE1 PHE A 118 111.274 10.420 -9.770 1.00 0.00 H new ATOM 0 HE2 PHE A 118 112.795 14.491 -9.721 1.00 0.00 H new ATOM 0 HZ PHE A 118 111.175 12.767 -8.885 1.00 0.00 H new ATOM 1984 N ASN A 119 115.522 10.592 -16.028 1.00 0.00 N ATOM 1985 CA ASN A 119 116.642 10.391 -17.018 1.00 0.00 C ATOM 1986 C ASN A 119 117.991 10.133 -16.317 1.00 0.00 C ATOM 1987 O ASN A 119 118.990 10.767 -16.618 1.00 0.00 O ATOM 1988 CB ASN A 119 116.682 11.672 -17.864 1.00 0.00 C ATOM 1989 CG ASN A 119 115.401 11.778 -18.693 1.00 0.00 C ATOM 1990 OD1 ASN A 119 115.263 11.124 -19.708 1.00 0.00 O ATOM 1991 ND2 ASN A 119 114.449 12.580 -18.301 1.00 0.00 N ATOM 0 H ASN A 119 114.707 10.001 -16.194 1.00 0.00 H new ATOM 0 HA ASN A 119 116.468 9.510 -17.635 1.00 0.00 H new ATOM 0 HB2 ASN A 119 116.782 12.544 -17.218 1.00 0.00 H new ATOM 0 HB3 ASN A 119 117.552 11.660 -18.520 1.00 0.00 H new ATOM 0 HD21 ASN A 119 113.590 12.657 -18.846 1.00 0.00 H new ATOM 0 HD22 ASN A 119 114.563 13.129 -17.449 1.00 0.00 H new ATOM 1998 N LEU A 120 118.013 9.203 -15.389 1.00 0.00 N ATOM 1999 CA LEU A 120 119.213 9.011 -14.514 1.00 0.00 C ATOM 2000 C LEU A 120 120.186 8.004 -15.134 1.00 0.00 C ATOM 2001 O LEU A 120 119.774 6.987 -15.663 1.00 0.00 O ATOM 2002 CB LEU A 120 118.679 8.475 -13.183 1.00 0.00 C ATOM 2003 CG LEU A 120 117.833 9.547 -12.495 1.00 0.00 C ATOM 2004 CD1 LEU A 120 116.965 8.894 -11.417 1.00 0.00 C ATOM 2005 CD2 LEU A 120 118.755 10.584 -11.845 1.00 0.00 C ATOM 0 H LEU A 120 117.242 8.563 -15.200 1.00 0.00 H new ATOM 0 HA LEU A 120 119.760 9.945 -14.387 1.00 0.00 H new ATOM 0 HB2 LEU A 120 118.080 7.581 -13.355 1.00 0.00 H new ATOM 0 HB3 LEU A 120 119.509 8.184 -12.538 1.00 0.00 H new ATOM 0 HG LEU A 120 117.195 10.036 -13.231 1.00 0.00 H new ATOM 0 HD11 LEU A 120 116.361 9.656 -10.925 1.00 0.00 H new ATOM 0 HD12 LEU A 120 116.311 8.153 -11.876 1.00 0.00 H new ATOM 0 HD13 LEU A 120 117.604 8.407 -10.681 1.00 0.00 H new ATOM 0 HD21 LEU A 120 118.153 11.349 -11.354 1.00 0.00 H new ATOM 0 HD22 LEU A 120 119.391 10.094 -11.108 1.00 0.00 H new ATOM 0 HD23 LEU A 120 119.378 11.048 -12.610 1.00 0.00 H new ATOM 2017 N LYS A 121 121.465 8.295 -15.067 1.00 0.00 N ATOM 2018 CA LYS A 121 122.509 7.335 -15.538 1.00 0.00 C ATOM 2019 C LYS A 121 123.383 6.901 -14.358 1.00 0.00 C ATOM 2020 O LYS A 121 123.476 7.603 -13.366 1.00 0.00 O ATOM 2021 CB LYS A 121 123.340 8.114 -16.559 1.00 0.00 C ATOM 2022 CG LYS A 121 122.488 8.415 -17.794 1.00 0.00 C ATOM 2023 CD LYS A 121 123.351 9.097 -18.857 1.00 0.00 C ATOM 2024 CE LYS A 121 122.475 9.508 -20.042 1.00 0.00 C ATOM 2025 NZ LYS A 121 123.323 10.435 -20.844 1.00 0.00 N ATOM 0 H LYS A 121 121.832 9.173 -14.699 1.00 0.00 H new ATOM 0 HA LYS A 121 122.077 6.433 -15.972 1.00 0.00 H new ATOM 0 HB2 LYS A 121 123.699 9.044 -16.117 1.00 0.00 H new ATOM 0 HB3 LYS A 121 124.219 7.536 -16.844 1.00 0.00 H new ATOM 0 HG2 LYS A 121 122.066 7.492 -18.191 1.00 0.00 H new ATOM 0 HG3 LYS A 121 121.651 9.058 -17.523 1.00 0.00 H new ATOM 0 HD2 LYS A 121 123.842 9.973 -18.434 1.00 0.00 H new ATOM 0 HD3 LYS A 121 124.138 8.420 -19.191 1.00 0.00 H new ATOM 0 HE2 LYS A 121 122.173 8.641 -20.629 1.00 0.00 H new ATOM 0 HE3 LYS A 121 121.562 9.999 -19.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 122.790 10.761 -21.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 123.589 11.254 -20.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 124.182 9.938 -21.156 1.00 0.00 H new ATOM 2039 N ASP A 122 124.025 5.756 -14.462 1.00 0.00 N ATOM 2040 CA ASP A 122 124.882 5.230 -13.339 1.00 0.00 C ATOM 2041 C ASP A 122 125.963 6.244 -12.933 1.00 0.00 C ATOM 2042 O ASP A 122 126.576 6.867 -13.782 1.00 0.00 O ATOM 2043 CB ASP A 122 125.547 3.956 -13.872 1.00 0.00 C ATOM 2044 CG ASP A 122 124.481 2.891 -14.141 1.00 0.00 C ATOM 2045 OD1 ASP A 122 123.611 2.725 -13.302 1.00 0.00 O ATOM 2046 OD2 ASP A 122 124.552 2.260 -15.183 1.00 0.00 O ATOM 0 H ASP A 122 123.992 5.156 -15.286 1.00 0.00 H new ATOM 0 HA ASP A 122 124.275 5.040 -12.454 1.00 0.00 H new ATOM 0 HB2 ASP A 122 126.094 4.176 -14.789 1.00 0.00 H new ATOM 0 HB3 ASP A 122 126.273 3.583 -13.149 1.00 0.00 H new ATOM 2051 N GLY A 123 126.184 6.401 -11.648 1.00 0.00 N ATOM 2052 CA GLY A 123 127.186 7.392 -11.148 1.00 0.00 C ATOM 2053 C GLY A 123 126.502 8.676 -10.661 1.00 0.00 C ATOM 2054 O GLY A 123 127.075 9.396 -9.860 1.00 0.00 O ATOM 0 H GLY A 123 125.705 5.876 -10.916 1.00 0.00 H new ATOM 0 HA2 GLY A 123 127.761 6.952 -10.333 1.00 0.00 H new ATOM 0 HA3 GLY A 123 127.892 7.632 -11.943 1.00 0.00 H new ATOM 2058 N ASP A 124 125.301 8.970 -11.124 1.00 0.00 N ATOM 2059 CA ASP A 124 124.594 10.225 -10.690 1.00 0.00 C ATOM 2060 C ASP A 124 124.271 10.155 -9.195 1.00 0.00 C ATOM 2061 O ASP A 124 124.076 9.081 -8.658 1.00 0.00 O ATOM 2062 CB ASP A 124 123.304 10.315 -11.516 1.00 0.00 C ATOM 2063 CG ASP A 124 123.580 11.024 -12.845 1.00 0.00 C ATOM 2064 OD1 ASP A 124 124.316 11.997 -12.842 1.00 0.00 O ATOM 2065 OD2 ASP A 124 123.043 10.579 -13.846 1.00 0.00 O ATOM 0 H ASP A 124 124.781 8.392 -11.785 1.00 0.00 H new ATOM 0 HA ASP A 124 125.217 11.105 -10.850 1.00 0.00 H new ATOM 0 HB2 ASP A 124 122.912 9.315 -11.703 1.00 0.00 H new ATOM 0 HB3 ASP A 124 122.542 10.857 -10.957 1.00 0.00 H new ATOM 2070 N VAL A 125 124.215 11.289 -8.535 1.00 0.00 N ATOM 2071 CA VAL A 125 124.038 11.311 -7.047 1.00 0.00 C ATOM 2072 C VAL A 125 122.639 11.839 -6.708 1.00 0.00 C ATOM 2073 O VAL A 125 122.202 12.839 -7.250 1.00 0.00 O ATOM 2074 CB VAL A 125 125.140 12.240 -6.499 1.00 0.00 C ATOM 2075 CG1 VAL A 125 125.072 12.306 -4.968 1.00 0.00 C ATOM 2076 CG2 VAL A 125 126.527 11.716 -6.892 1.00 0.00 C ATOM 0 H VAL A 125 124.285 12.209 -8.969 1.00 0.00 H new ATOM 0 HA VAL A 125 124.123 10.319 -6.604 1.00 0.00 H new ATOM 0 HB VAL A 125 124.980 13.231 -6.924 1.00 0.00 H new ATOM 0 HG11 VAL A 125 125.856 12.966 -4.597 1.00 0.00 H new ATOM 0 HG12 VAL A 125 124.099 12.692 -4.663 1.00 0.00 H new ATOM 0 HG13 VAL A 125 125.212 11.307 -4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 125 127.293 12.383 -6.497 1.00 0.00 H new ATOM 0 HG22 VAL A 125 126.669 10.717 -6.480 1.00 0.00 H new ATOM 0 HG23 VAL A 125 126.606 11.675 -7.978 1.00 0.00 H new ATOM 2086 N ILE A 126 121.950 11.164 -5.817 1.00 0.00 N ATOM 2087 CA ILE A 126 120.625 11.652 -5.319 1.00 0.00 C ATOM 2088 C ILE A 126 120.628 11.669 -3.786 1.00 0.00 C ATOM 2089 O ILE A 126 121.441 11.003 -3.167 1.00 0.00 O ATOM 2090 CB ILE A 126 119.562 10.681 -5.867 1.00 0.00 C ATOM 2091 CG1 ILE A 126 119.845 9.235 -5.435 1.00 0.00 C ATOM 2092 CG2 ILE A 126 119.543 10.751 -7.396 1.00 0.00 C ATOM 2093 CD1 ILE A 126 118.606 8.374 -5.688 1.00 0.00 C ATOM 0 H ILE A 126 122.256 10.281 -5.408 1.00 0.00 H new ATOM 0 HA ILE A 126 120.413 12.668 -5.654 1.00 0.00 H new ATOM 0 HB ILE A 126 118.595 10.979 -5.461 1.00 0.00 H new ATOM 0 HG12 ILE A 126 120.696 8.839 -5.990 1.00 0.00 H new ATOM 0 HG13 ILE A 126 120.112 9.206 -4.379 1.00 0.00 H new ATOM 0 HG21 ILE A 126 118.791 10.064 -7.782 1.00 0.00 H new ATOM 0 HG22 ILE A 126 119.303 11.766 -7.711 1.00 0.00 H new ATOM 0 HG23 ILE A 126 120.522 10.473 -7.785 1.00 0.00 H new ATOM 0 HD11 ILE A 126 118.807 7.348 -5.381 1.00 0.00 H new ATOM 0 HD12 ILE A 126 117.767 8.766 -5.114 1.00 0.00 H new ATOM 0 HD13 ILE A 126 118.360 8.394 -6.750 1.00 0.00 H new ATOM 2105 N LYS A 127 119.732 12.418 -3.188 1.00 0.00 N ATOM 2106 CA LYS A 127 119.716 12.562 -1.700 1.00 0.00 C ATOM 2107 C LYS A 127 118.507 11.835 -1.112 1.00 0.00 C ATOM 2108 O LYS A 127 117.419 11.907 -1.654 1.00 0.00 O ATOM 2109 CB LYS A 127 119.610 14.068 -1.445 1.00 0.00 C ATOM 2110 CG LYS A 127 120.900 14.757 -1.895 1.00 0.00 C ATOM 2111 CD LYS A 127 120.835 16.243 -1.538 1.00 0.00 C ATOM 2112 CE LYS A 127 122.072 16.956 -2.092 1.00 0.00 C ATOM 2113 NZ LYS A 127 123.147 16.685 -1.097 1.00 0.00 N ATOM 0 H LYS A 127 119.004 12.941 -3.674 1.00 0.00 H new ATOM 0 HA LYS A 127 120.604 12.132 -1.236 1.00 0.00 H new ATOM 0 HB2 LYS A 127 118.758 14.480 -1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 127 119.436 14.256 -0.386 1.00 0.00 H new ATOM 0 HG2 LYS A 127 121.760 14.293 -1.412 1.00 0.00 H new ATOM 0 HG3 LYS A 127 121.034 14.636 -2.970 1.00 0.00 H new ATOM 0 HD2 LYS A 127 119.930 16.688 -1.952 1.00 0.00 H new ATOM 0 HD3 LYS A 127 120.785 16.366 -0.456 1.00 0.00 H new ATOM 0 HE2 LYS A 127 122.340 16.574 -3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 127 121.896 18.026 -2.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 123.657 17.567 -0.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 122.725 16.314 -0.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 123.811 15.985 -1.485 1.00 0.00 H new ATOM 2127 N ILE A 128 118.696 11.140 -0.013 1.00 0.00 N ATOM 2128 CA ILE A 128 117.554 10.469 0.687 1.00 0.00 C ATOM 2129 C ILE A 128 117.295 11.153 2.035 1.00 0.00 C ATOM 2130 O ILE A 128 118.220 11.473 2.761 1.00 0.00 O ATOM 2131 CB ILE A 128 117.949 8.991 0.866 1.00 0.00 C ATOM 2132 CG1 ILE A 128 119.272 8.845 1.633 1.00 0.00 C ATOM 2133 CG2 ILE A 128 118.094 8.339 -0.513 1.00 0.00 C ATOM 2134 CD1 ILE A 128 119.462 7.387 2.058 1.00 0.00 C ATOM 0 H ILE A 128 119.604 11.008 0.433 1.00 0.00 H new ATOM 0 HA ILE A 128 116.630 10.540 0.113 1.00 0.00 H new ATOM 0 HB ILE A 128 117.166 8.500 1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 128 120.105 9.163 1.005 1.00 0.00 H new ATOM 0 HG13 ILE A 128 119.269 9.492 2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 128 118.374 7.292 -0.393 1.00 0.00 H new ATOM 0 HG22 ILE A 128 117.146 8.402 -1.047 1.00 0.00 H new ATOM 0 HG23 ILE A 128 118.866 8.858 -1.081 1.00 0.00 H new ATOM 0 HD11 ILE A 128 120.401 7.286 2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 128 118.636 7.085 2.702 1.00 0.00 H new ATOM 0 HD13 ILE A 128 119.485 6.750 1.174 1.00 0.00 H new ATOM 2146 N LEU A 129 116.040 11.377 2.353 1.00 0.00 N ATOM 2147 CA LEU A 129 115.673 12.096 3.611 1.00 0.00 C ATOM 2148 C LEU A 129 115.017 11.129 4.600 1.00 0.00 C ATOM 2149 O LEU A 129 114.057 10.459 4.264 1.00 0.00 O ATOM 2150 CB LEU A 129 114.679 13.175 3.169 1.00 0.00 C ATOM 2151 CG LEU A 129 114.401 14.138 4.329 1.00 0.00 C ATOM 2152 CD1 LEU A 129 113.984 15.503 3.775 1.00 0.00 C ATOM 2153 CD2 LEU A 129 113.273 13.582 5.204 1.00 0.00 C ATOM 0 H LEU A 129 115.245 11.086 1.784 1.00 0.00 H new ATOM 0 HA LEU A 129 116.540 12.522 4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 129 115.081 13.724 2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 129 113.749 12.712 2.839 1.00 0.00 H new ATOM 0 HG LEU A 129 115.305 14.247 4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 129 113.787 16.186 4.601 1.00 0.00 H new ATOM 0 HD12 LEU A 129 114.786 15.905 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 129 113.082 15.391 3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 129 113.079 14.269 6.027 1.00 0.00 H new ATOM 0 HD22 LEU A 129 112.370 13.469 4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 129 113.567 12.611 5.604 1.00 0.00 H new