USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=12 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 55 ASN : amide:sc= -1.81 K(o=-1.4,f=-6.8!) USER MOD Set 1.2: A 59 TYR OH : rot 165:sc= 0.23 USER MOD Set 1.3: A 76 LYS NZ :NH3+ -164:sc= 0.213 (180deg=0) USER MOD Set 2.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 45 ASN : amide:sc= -1.54 K(o=-1.5,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+ 180:sc= 0 (180deg=0) 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= -0.564 USER MOD Single : A 68 ASN : amide:sc= -2.37 K(o=-2.4,f=-6.4!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -166:sc= 1.25 (180deg=0.649) USER MOD Single : A 86 ASN : amide:sc= 0 K(o=0,f=-0.75) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= -0.145 USER MOD Single : A 101 HIS : no HD1:sc=-0.000486 X(o=-0.00049,f=-0.00049) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -171:sc= -0.575 (180deg=-0.75) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -0.0402 X(o=-0.04,f=-0.4) USER MOD Single : A 119 ASN : amide:sc= -0.0385 X(o=-0.038,f=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N ILE A 6 119.949 13.351 6.847 1.00 0.26 N ATOM 95 CA ILE A 6 120.051 13.347 5.352 1.00 0.21 C ATOM 96 C ILE A 6 121.338 12.621 4.938 1.00 0.15 C ATOM 97 O ILE A 6 122.401 12.904 5.460 1.00 0.18 O ATOM 98 CB ILE A 6 120.086 14.829 4.923 1.00 0.29 C ATOM 99 CG1 ILE A 6 118.857 15.605 5.445 1.00 0.41 C ATOM 100 CG2 ILE A 6 120.144 14.944 3.393 1.00 0.28 C ATOM 101 CD1 ILE A 6 117.537 14.992 4.950 1.00 0.44 C ATOM 0 HA ILE A 6 119.216 12.831 4.878 1.00 0.21 H new ATOM 0 HB ILE A 6 120.983 15.269 5.360 1.00 0.29 H new ATOM 0 HG12 ILE A 6 118.868 15.611 6.535 1.00 0.41 H new ATOM 0 HG13 ILE A 6 118.919 16.644 5.120 1.00 0.41 H new ATOM 0 HG21 ILE A 6 120.168 15.996 3.108 1.00 0.28 H new ATOM 0 HG22 ILE A 6 121.042 14.447 3.025 1.00 0.28 H new ATOM 0 HG23 ILE A 6 119.263 14.470 2.959 1.00 0.28 H new ATOM 0 HD11 ILE A 6 116.699 15.569 5.341 1.00 0.44 H new ATOM 0 HD12 ILE A 6 117.513 15.010 3.860 1.00 0.44 H new ATOM 0 HD13 ILE A 6 117.462 13.962 5.297 1.00 0.44 H new ATOM 113 N ILE A 7 121.233 11.697 4.010 1.00 0.11 N ATOM 114 CA ILE A 7 122.440 10.967 3.504 1.00 0.11 C ATOM 115 C ILE A 7 122.437 11.007 1.969 1.00 0.09 C ATOM 116 O ILE A 7 121.386 11.048 1.355 1.00 0.10 O ATOM 117 CB ILE A 7 122.323 9.521 4.029 1.00 0.14 C ATOM 118 CG1 ILE A 7 122.260 9.510 5.564 1.00 0.17 C ATOM 119 CG2 ILE A 7 123.546 8.701 3.597 1.00 0.18 C ATOM 120 CD1 ILE A 7 121.800 8.135 6.052 1.00 0.22 C ATOM 0 H ILE A 7 120.353 11.415 3.578 1.00 0.11 H new ATOM 0 HA ILE A 7 123.374 11.415 3.844 1.00 0.11 H new ATOM 0 HB ILE A 7 121.412 9.088 3.616 1.00 0.14 H new ATOM 0 HG12 ILE A 7 123.240 9.745 5.979 1.00 0.17 H new ATOM 0 HG13 ILE A 7 121.572 10.280 5.915 1.00 0.17 H new ATOM 0 HG21 ILE A 7 123.452 7.682 3.973 1.00 0.18 H new ATOM 0 HG22 ILE A 7 123.605 8.682 2.509 1.00 0.18 H new ATOM 0 HG23 ILE A 7 124.450 9.156 4.002 1.00 0.18 H new ATOM 0 HD11 ILE A 7 121.757 8.131 7.141 1.00 0.22 H new ATOM 0 HD12 ILE A 7 120.811 7.918 5.649 1.00 0.22 H new ATOM 0 HD13 ILE A 7 122.504 7.375 5.714 1.00 0.22 H new ATOM 132 N GLU A 8 123.603 10.999 1.365 1.00 0.10 N ATOM 133 CA GLU A 8 123.705 11.017 -0.127 1.00 0.09 C ATOM 134 C GLU A 8 124.098 9.631 -0.647 1.00 0.09 C ATOM 135 O GLU A 8 124.900 8.948 -0.036 1.00 0.10 O ATOM 136 CB GLU A 8 124.800 12.038 -0.442 1.00 0.11 C ATOM 137 CG GLU A 8 124.323 13.440 -0.058 1.00 0.12 C ATOM 138 CD GLU A 8 125.395 14.465 -0.432 1.00 0.15 C ATOM 139 OE1 GLU A 8 126.385 14.542 0.276 1.00 0.82 O ATOM 140 OE2 GLU A 8 125.207 15.156 -1.420 1.00 0.86 O ATOM 0 H GLU A 8 124.499 10.980 1.851 1.00 0.10 H new ATOM 0 HA GLU A 8 122.759 11.278 -0.600 1.00 0.09 H new ATOM 0 HB2 GLU A 8 125.710 11.790 0.105 1.00 0.11 H new ATOM 0 HB3 GLU A 8 125.047 12.005 -1.503 1.00 0.11 H new ATOM 0 HG2 GLU A 8 123.389 13.671 -0.571 1.00 0.12 H new ATOM 0 HG3 GLU A 8 124.119 13.486 1.012 1.00 0.12 H new ATOM 147 N GLY A 9 123.536 9.226 -1.765 1.00 0.07 N ATOM 148 CA GLY A 9 123.857 7.889 -2.355 1.00 0.07 C ATOM 149 C GLY A 9 124.044 8.027 -3.867 1.00 0.07 C ATOM 150 O GLY A 9 123.430 8.877 -4.490 1.00 0.08 O ATOM 0 H GLY A 9 122.861 9.774 -2.298 1.00 0.07 H new ATOM 0 HA2 GLY A 9 124.763 7.488 -1.901 1.00 0.07 H new ATOM 0 HA3 GLY A 9 123.054 7.183 -2.141 1.00 0.07 H new ATOM 154 N GLU A 10 124.883 7.198 -4.448 1.00 0.07 N ATOM 155 CA GLU A 10 125.128 7.253 -5.922 1.00 0.08 C ATOM 156 C GLU A 10 124.443 6.072 -6.616 1.00 0.08 C ATOM 157 O GLU A 10 124.420 4.974 -6.090 1.00 0.08 O ATOM 158 CB GLU A 10 126.646 7.160 -6.084 1.00 0.08 C ATOM 159 CG GLU A 10 127.025 7.468 -7.534 1.00 0.09 C ATOM 160 CD GLU A 10 128.522 7.229 -7.737 1.00 0.10 C ATOM 161 OE1 GLU A 10 129.008 6.209 -7.276 1.00 0.86 O ATOM 162 OE2 GLU A 10 129.157 8.069 -8.352 1.00 0.84 O ATOM 0 H GLU A 10 125.413 6.479 -3.955 1.00 0.07 H new ATOM 0 HA GLU A 10 124.728 8.163 -6.369 1.00 0.08 H new ATOM 0 HB2 GLU A 10 127.138 7.863 -5.411 1.00 0.08 H new ATOM 0 HB3 GLU A 10 126.991 6.163 -5.811 1.00 0.08 H new ATOM 0 HG2 GLU A 10 126.451 6.837 -8.212 1.00 0.09 H new ATOM 0 HG3 GLU A 10 126.776 8.502 -7.773 1.00 0.09 H new ATOM 169 N VAL A 11 123.892 6.302 -7.789 1.00 0.09 N ATOM 170 CA VAL A 11 123.202 5.210 -8.564 1.00 0.11 C ATOM 171 C VAL A 11 124.213 4.114 -8.932 1.00 0.11 C ATOM 172 O VAL A 11 125.202 4.387 -9.588 1.00 0.11 O ATOM 173 CB VAL A 11 122.633 5.861 -9.843 1.00 0.13 C ATOM 174 CG1 VAL A 11 121.823 4.837 -10.647 1.00 0.15 C ATOM 175 CG2 VAL A 11 121.711 7.037 -9.492 1.00 0.12 C ATOM 0 H VAL A 11 123.890 7.212 -8.250 1.00 0.09 H new ATOM 0 HA VAL A 11 122.408 4.750 -7.976 1.00 0.11 H new ATOM 0 HB VAL A 11 123.476 6.220 -10.434 1.00 0.13 H new ATOM 0 HG11 VAL A 11 121.428 5.310 -11.546 1.00 0.15 H new ATOM 0 HG12 VAL A 11 122.467 4.004 -10.929 1.00 0.15 H new ATOM 0 HG13 VAL A 11 120.997 4.468 -10.039 1.00 0.15 H new ATOM 0 HG21 VAL A 11 121.322 7.480 -10.409 1.00 0.12 H new ATOM 0 HG22 VAL A 11 120.882 6.680 -8.881 1.00 0.12 H new ATOM 0 HG23 VAL A 11 122.274 7.787 -8.937 1.00 0.12 H new ATOM 185 N VAL A 12 123.959 2.896 -8.516 1.00 0.12 N ATOM 186 CA VAL A 12 124.846 1.745 -8.887 1.00 0.14 C ATOM 187 C VAL A 12 124.012 0.613 -9.496 1.00 0.20 C ATOM 188 O VAL A 12 122.820 0.525 -9.256 1.00 0.32 O ATOM 189 CB VAL A 12 125.538 1.288 -7.589 1.00 0.15 C ATOM 190 CG1 VAL A 12 126.430 2.415 -7.061 1.00 0.16 C ATOM 191 CG2 VAL A 12 124.515 0.912 -6.508 1.00 0.19 C ATOM 0 H VAL A 12 123.164 2.646 -7.927 1.00 0.12 H new ATOM 0 HA VAL A 12 125.586 2.034 -9.634 1.00 0.14 H new ATOM 0 HB VAL A 12 126.135 0.406 -7.820 1.00 0.15 H new ATOM 0 HG11 VAL A 12 126.920 2.091 -6.142 1.00 0.16 H new ATOM 0 HG12 VAL A 12 127.185 2.661 -7.807 1.00 0.16 H new ATOM 0 HG13 VAL A 12 125.821 3.296 -6.857 1.00 0.16 H new ATOM 0 HG21 VAL A 12 125.039 0.594 -5.606 1.00 0.19 H new ATOM 0 HG22 VAL A 12 123.892 1.777 -6.280 1.00 0.19 H new ATOM 0 HG23 VAL A 12 123.887 0.097 -6.869 1.00 0.19 H new ATOM 201 N SER A 13 124.636 -0.242 -10.276 1.00 0.25 N ATOM 202 CA SER A 13 123.898 -1.370 -10.932 1.00 0.32 C ATOM 203 C SER A 13 123.826 -2.575 -9.989 1.00 0.41 C ATOM 204 O SER A 13 124.833 -2.993 -9.443 1.00 0.59 O ATOM 205 CB SER A 13 124.704 -1.721 -12.184 1.00 0.48 C ATOM 206 OG SER A 13 124.005 -2.709 -12.930 1.00 1.20 O ATOM 0 H SER A 13 125.633 -0.205 -10.487 1.00 0.25 H new ATOM 0 HA SER A 13 122.873 -1.092 -11.179 1.00 0.32 H new ATOM 0 HB2 SER A 13 124.858 -0.830 -12.793 1.00 0.48 H new ATOM 0 HB3 SER A 13 125.691 -2.090 -11.904 1.00 0.48 H new ATOM 0 HG SER A 13 124.518 -2.935 -13.734 1.00 1.20 H new ATOM 486 N PHE A 31 103.183 -4.956 0.852 1.00 0.31 N ATOM 487 CA PHE A 31 103.786 -3.613 0.558 1.00 0.26 C ATOM 488 C PHE A 31 102.727 -2.512 0.695 1.00 0.22 C ATOM 489 O PHE A 31 102.987 -1.478 1.281 1.00 0.20 O ATOM 490 CB PHE A 31 104.317 -3.680 -0.881 1.00 0.29 C ATOM 491 CG PHE A 31 105.742 -4.176 -0.984 1.00 0.37 C ATOM 492 CD1 PHE A 31 106.763 -3.611 -0.156 1.00 0.48 C ATOM 493 CD2 PHE A 31 106.071 -5.209 -1.916 1.00 0.57 C ATOM 494 CE1 PHE A 31 108.109 -4.080 -0.260 1.00 0.55 C ATOM 495 CE2 PHE A 31 107.418 -5.679 -2.019 1.00 0.66 C ATOM 496 CZ PHE A 31 108.436 -5.114 -1.190 1.00 0.56 C ATOM 0 HA PHE A 31 104.587 -3.376 1.258 1.00 0.26 H new ATOM 0 HB2 PHE A 31 103.671 -4.335 -1.466 1.00 0.29 H new ATOM 0 HB3 PHE A 31 104.254 -2.688 -1.328 1.00 0.29 H new ATOM 0 HD1 PHE A 31 106.516 -2.830 0.548 1.00 0.48 H new ATOM 0 HD2 PHE A 31 105.302 -5.635 -2.543 1.00 0.57 H new ATOM 0 HE1 PHE A 31 108.879 -3.653 0.365 1.00 0.55 H new ATOM 0 HE2 PHE A 31 107.666 -6.460 -2.723 1.00 0.66 H new ATOM 0 HZ PHE A 31 109.453 -5.469 -1.267 1.00 0.56 H new ATOM 506 N LYS A 32 101.547 -2.737 0.161 1.00 0.23 N ATOM 507 CA LYS A 32 100.448 -1.717 0.252 1.00 0.25 C ATOM 508 C LYS A 32 100.002 -1.526 1.707 1.00 0.28 C ATOM 509 O LYS A 32 99.561 -0.452 2.075 1.00 0.30 O ATOM 510 CB LYS A 32 99.288 -2.253 -0.594 1.00 0.28 C ATOM 511 CG LYS A 32 98.239 -1.155 -0.782 1.00 0.36 C ATOM 512 CD LYS A 32 97.074 -1.696 -1.613 1.00 0.55 C ATOM 513 CE LYS A 32 96.089 -0.564 -1.909 1.00 1.15 C ATOM 514 NZ LYS A 32 95.115 -1.146 -2.874 1.00 1.72 N ATOM 0 H LYS A 32 101.296 -3.590 -0.338 1.00 0.23 H new ATOM 0 HA LYS A 32 100.787 -0.746 -0.109 1.00 0.25 H new ATOM 0 HB2 LYS A 32 99.656 -2.588 -1.564 1.00 0.28 H new ATOM 0 HB3 LYS A 32 98.839 -3.119 -0.107 1.00 0.28 H new ATOM 0 HG2 LYS A 32 97.879 -0.812 0.188 1.00 0.36 H new ATOM 0 HG3 LYS A 32 98.685 -0.293 -1.279 1.00 0.36 H new ATOM 0 HD2 LYS A 32 97.445 -2.122 -2.545 1.00 0.55 H new ATOM 0 HD3 LYS A 32 96.571 -2.499 -1.074 1.00 0.55 H new ATOM 0 HE2 LYS A 32 95.591 -0.226 -1.000 1.00 1.15 H new ATOM 0 HE3 LYS A 32 96.598 0.301 -2.334 1.00 1.15 H new ATOM 0 HZ1 LYS A 32 94.405 -0.429 -3.126 1.00 1.72 H new ATOM 0 HZ2 LYS A 32 95.617 -1.453 -3.732 1.00 1.72 H new ATOM 0 HZ3 LYS A 32 94.642 -1.963 -2.439 1.00 1.72 H new ATOM 528 N LYS A 33 100.106 -2.554 2.516 1.00 0.30 N ATOM 529 CA LYS A 33 99.757 -2.423 3.970 1.00 0.35 C ATOM 530 C LYS A 33 100.778 -1.538 4.692 1.00 0.31 C ATOM 531 O LYS A 33 100.408 -0.730 5.526 1.00 0.33 O ATOM 532 CB LYS A 33 99.771 -3.842 4.550 1.00 0.39 C ATOM 533 CG LYS A 33 99.170 -3.828 5.957 1.00 0.82 C ATOM 534 CD LYS A 33 99.254 -5.230 6.563 1.00 1.15 C ATOM 535 CE LYS A 33 98.521 -5.251 7.906 1.00 1.81 C ATOM 536 NZ LYS A 33 98.608 -6.664 8.370 1.00 2.37 N ATOM 0 H LYS A 33 100.419 -3.482 2.232 1.00 0.30 H new ATOM 0 HA LYS A 33 98.781 -1.955 4.098 1.00 0.35 H new ATOM 0 HB2 LYS A 33 99.202 -4.514 3.907 1.00 0.39 H new ATOM 0 HB3 LYS A 33 100.792 -4.222 4.584 1.00 0.39 H new ATOM 0 HG2 LYS A 33 99.705 -3.116 6.585 1.00 0.82 H new ATOM 0 HG3 LYS A 33 98.131 -3.499 5.917 1.00 0.82 H new ATOM 0 HD2 LYS A 33 98.811 -5.958 5.884 1.00 1.15 H new ATOM 0 HD3 LYS A 33 100.297 -5.516 6.701 1.00 1.15 H new ATOM 0 HE2 LYS A 33 98.986 -4.572 8.620 1.00 1.81 H new ATOM 0 HE3 LYS A 33 97.484 -4.935 7.795 1.00 1.81 H new ATOM 0 HZ1 LYS A 33 98.127 -6.758 9.287 1.00 2.37 H new ATOM 0 HZ2 LYS A 33 98.151 -7.287 7.674 1.00 2.37 H new ATOM 0 HZ3 LYS A 33 99.607 -6.934 8.474 1.00 2.37 H new ATOM 550 N ILE A 34 102.045 -1.687 4.377 1.00 0.27 N ATOM 551 CA ILE A 34 103.115 -0.925 5.103 1.00 0.25 C ATOM 552 C ILE A 34 103.211 0.495 4.526 1.00 0.22 C ATOM 553 O ILE A 34 103.408 1.447 5.261 1.00 0.22 O ATOM 554 CB ILE A 34 104.432 -1.702 4.897 1.00 0.23 C ATOM 555 CG1 ILE A 34 104.304 -3.139 5.421 1.00 0.29 C ATOM 556 CG2 ILE A 34 105.576 -1.018 5.658 1.00 0.22 C ATOM 557 CD1 ILE A 34 105.392 -4.010 4.790 1.00 0.30 C ATOM 0 H ILE A 34 102.386 -2.308 3.643 1.00 0.27 H new ATOM 0 HA ILE A 34 102.897 -0.832 6.167 1.00 0.25 H new ATOM 0 HB ILE A 34 104.643 -1.716 3.828 1.00 0.23 H new ATOM 0 HG12 ILE A 34 104.397 -3.151 6.507 1.00 0.29 H new ATOM 0 HG13 ILE A 34 103.319 -3.539 5.181 1.00 0.29 H new ATOM 0 HG21 ILE A 34 106.500 -1.576 5.505 1.00 0.22 H new ATOM 0 HG22 ILE A 34 105.701 -0.000 5.289 1.00 0.22 H new ATOM 0 HG23 ILE A 34 105.341 -0.992 6.722 1.00 0.22 H new ATOM 0 HD11 ILE A 34 105.302 -5.031 5.162 1.00 0.30 H new ATOM 0 HD12 ILE A 34 105.277 -4.007 3.706 1.00 0.30 H new ATOM 0 HD13 ILE A 34 106.373 -3.614 5.052 1.00 0.30 H new ATOM 569 N LEU A 35 103.071 0.632 3.228 1.00 0.20 N ATOM 570 CA LEU A 35 103.274 1.957 2.559 1.00 0.19 C ATOM 571 C LEU A 35 101.938 2.605 2.175 1.00 0.23 C ATOM 572 O LEU A 35 101.855 3.817 2.077 1.00 0.25 O ATOM 573 CB LEU A 35 104.080 1.649 1.295 1.00 0.17 C ATOM 574 CG LEU A 35 105.469 1.121 1.662 1.00 0.16 C ATOM 575 CD1 LEU A 35 106.150 0.579 0.404 1.00 0.14 C ATOM 576 CD2 LEU A 35 106.315 2.254 2.247 1.00 0.20 C ATOM 0 H LEU A 35 102.821 -0.129 2.596 1.00 0.20 H new ATOM 0 HA LEU A 35 103.781 2.657 3.224 1.00 0.19 H new ATOM 0 HB2 LEU A 35 103.552 0.912 0.690 1.00 0.17 H new ATOM 0 HB3 LEU A 35 104.175 2.550 0.688 1.00 0.17 H new ATOM 0 HG LEU A 35 105.371 0.326 2.401 1.00 0.16 H new ATOM 0 HD11 LEU A 35 107.140 0.202 0.660 1.00 0.14 H new ATOM 0 HD12 LEU A 35 105.551 -0.229 -0.015 1.00 0.14 H new ATOM 0 HD13 LEU A 35 106.245 1.378 -0.331 1.00 0.14 H new ATOM 0 HD21 LEU A 35 107.303 1.874 2.507 1.00 0.20 H new ATOM 0 HD22 LEU A 35 106.415 3.051 1.510 1.00 0.20 H new ATOM 0 HD23 LEU A 35 105.830 2.646 3.141 1.00 0.20 H new ATOM 588 N GLY A 36 100.910 1.817 1.963 1.00 0.25 N ATOM 589 CA GLY A 36 99.625 2.349 1.415 1.00 0.30 C ATOM 590 C GLY A 36 99.659 2.432 -0.121 1.00 0.29 C ATOM 591 O GLY A 36 98.812 3.087 -0.704 1.00 0.32 O ATOM 0 H GLY A 36 100.909 0.814 2.150 1.00 0.25 H new ATOM 0 HA2 GLY A 36 98.801 1.707 1.728 1.00 0.30 H new ATOM 0 HA3 GLY A 36 99.433 3.339 1.830 1.00 0.30 H new ATOM 595 N PHE A 37 100.608 1.790 -0.777 1.00 0.25 N ATOM 596 CA PHE A 37 100.559 1.663 -2.268 1.00 0.25 C ATOM 597 C PHE A 37 101.297 0.399 -2.727 1.00 0.21 C ATOM 598 O PHE A 37 102.053 -0.186 -1.972 1.00 0.20 O ATOM 599 CB PHE A 37 101.227 2.931 -2.817 1.00 0.25 C ATOM 600 CG PHE A 37 102.689 3.099 -2.458 1.00 0.22 C ATOM 601 CD1 PHE A 37 103.681 2.287 -3.093 1.00 0.19 C ATOM 602 CD2 PHE A 37 103.081 4.083 -1.499 1.00 0.23 C ATOM 603 CE1 PHE A 37 105.062 2.457 -2.768 1.00 0.17 C ATOM 604 CE2 PHE A 37 104.462 4.253 -1.172 1.00 0.21 C ATOM 605 CZ PHE A 37 105.453 3.440 -1.807 1.00 0.18 C ATOM 0 H PHE A 37 101.415 1.349 -0.336 1.00 0.25 H new ATOM 0 HA PHE A 37 99.536 1.569 -2.633 1.00 0.25 H new ATOM 0 HB2 PHE A 37 101.134 2.930 -3.903 1.00 0.25 H new ATOM 0 HB3 PHE A 37 100.678 3.799 -2.451 1.00 0.25 H new ATOM 0 HD1 PHE A 37 103.386 1.544 -3.819 1.00 0.19 H new ATOM 0 HD2 PHE A 37 102.333 4.699 -1.021 1.00 0.23 H new ATOM 0 HE1 PHE A 37 105.810 1.843 -3.248 1.00 0.17 H new ATOM 0 HE2 PHE A 37 104.757 4.995 -0.445 1.00 0.21 H new ATOM 0 HZ PHE A 37 106.496 3.569 -1.560 1.00 0.18 H new ATOM 615 N GLU A 38 101.076 -0.010 -3.956 1.00 0.22 N ATOM 616 CA GLU A 38 101.809 -1.184 -4.526 1.00 0.20 C ATOM 617 C GLU A 38 103.030 -0.699 -5.329 1.00 0.16 C ATOM 618 O GLU A 38 102.838 -0.071 -6.355 1.00 0.16 O ATOM 619 CB GLU A 38 100.803 -1.872 -5.453 1.00 0.24 C ATOM 620 CG GLU A 38 99.682 -2.494 -4.617 1.00 0.30 C ATOM 621 CD GLU A 38 98.469 -2.766 -5.511 1.00 0.68 C ATOM 622 OE1 GLU A 38 97.978 -1.825 -6.111 1.00 1.35 O ATOM 623 OE2 GLU A 38 98.054 -3.911 -5.578 1.00 1.27 O ATOM 0 H GLU A 38 100.411 0.426 -4.594 1.00 0.22 H new ATOM 0 HA GLU A 38 102.176 -1.858 -3.752 1.00 0.20 H new ATOM 0 HB2 GLU A 38 100.389 -1.151 -6.157 1.00 0.24 H new ATOM 0 HB3 GLU A 38 101.302 -2.642 -6.042 1.00 0.24 H new ATOM 0 HG2 GLU A 38 100.026 -3.422 -4.161 1.00 0.30 H new ATOM 0 HG3 GLU A 38 99.405 -1.823 -3.804 1.00 0.30 H new ATOM 630 N PRO A 39 104.238 -0.988 -4.868 1.00 0.15 N ATOM 631 CA PRO A 39 105.459 -0.483 -5.570 1.00 0.14 C ATOM 632 C PRO A 39 105.607 -1.153 -6.941 1.00 0.15 C ATOM 633 O PRO A 39 105.043 -2.207 -7.177 1.00 0.18 O ATOM 634 CB PRO A 39 106.597 -0.890 -4.635 1.00 0.15 C ATOM 635 CG PRO A 39 106.066 -2.099 -3.951 1.00 0.18 C ATOM 636 CD PRO A 39 104.622 -1.793 -3.688 1.00 0.18 C ATOM 0 HA PRO A 39 105.433 0.590 -5.763 1.00 0.14 H new ATOM 0 HB2 PRO A 39 107.511 -1.109 -5.187 1.00 0.15 H new ATOM 0 HB3 PRO A 39 106.836 -0.099 -3.924 1.00 0.15 H new ATOM 0 HG2 PRO A 39 106.174 -2.986 -4.576 1.00 0.18 H new ATOM 0 HG3 PRO A 39 106.603 -2.296 -3.023 1.00 0.18 H new ATOM 0 HD2 PRO A 39 104.025 -2.701 -3.606 1.00 0.18 H new ATOM 0 HD3 PRO A 39 104.489 -1.238 -2.759 1.00 0.18 H new ATOM 644 N TYR A 40 106.358 -0.543 -7.830 1.00 0.15 N ATOM 645 CA TYR A 40 106.555 -1.118 -9.202 1.00 0.19 C ATOM 646 C TYR A 40 107.499 -2.320 -9.137 1.00 0.22 C ATOM 647 O TYR A 40 108.193 -2.508 -8.151 1.00 0.21 O ATOM 648 CB TYR A 40 107.184 -0.006 -10.048 1.00 0.22 C ATOM 649 CG TYR A 40 107.328 -0.368 -11.506 1.00 0.26 C ATOM 650 CD1 TYR A 40 108.521 -1.003 -11.970 1.00 0.29 C ATOM 651 CD2 TYR A 40 106.271 -0.074 -12.423 1.00 0.29 C ATOM 652 CE1 TYR A 40 108.658 -1.347 -13.351 1.00 0.34 C ATOM 653 CE2 TYR A 40 106.408 -0.418 -13.805 1.00 0.33 C ATOM 654 CZ TYR A 40 107.601 -1.053 -14.268 1.00 0.35 C ATOM 655 OH TYR A 40 107.733 -1.384 -15.602 1.00 0.40 O ATOM 0 H TYR A 40 106.847 0.336 -7.662 1.00 0.15 H new ATOM 0 HA TYR A 40 105.611 -1.458 -9.628 1.00 0.19 H new ATOM 0 HB2 TYR A 40 106.574 0.893 -9.964 1.00 0.22 H new ATOM 0 HB3 TYR A 40 108.167 0.236 -9.643 1.00 0.22 H new ATOM 0 HD1 TYR A 40 109.320 -1.223 -11.277 1.00 0.29 H new ATOM 0 HD2 TYR A 40 105.370 0.407 -12.073 1.00 0.29 H new ATOM 0 HE1 TYR A 40 109.559 -1.828 -13.701 1.00 0.34 H new ATOM 0 HE2 TYR A 40 105.610 -0.198 -14.498 1.00 0.33 H new ATOM 0 HH TYR A 40 106.925 -1.116 -16.087 1.00 0.40 H new ATOM 665 N GLU A 41 107.531 -3.119 -10.180 1.00 0.27 N ATOM 666 CA GLU A 41 108.447 -4.305 -10.204 1.00 0.31 C ATOM 667 C GLU A 41 109.868 -3.855 -10.575 1.00 0.32 C ATOM 668 O GLU A 41 110.302 -3.985 -11.709 1.00 0.37 O ATOM 669 CB GLU A 41 107.873 -5.250 -11.270 1.00 0.36 C ATOM 670 CG GLU A 41 106.516 -5.785 -10.805 1.00 0.36 C ATOM 671 CD GLU A 41 105.908 -6.671 -11.895 1.00 0.73 C ATOM 672 OE1 GLU A 41 106.637 -7.463 -12.469 1.00 1.41 O ATOM 673 OE2 GLU A 41 104.720 -6.540 -12.140 1.00 1.02 O ATOM 0 H GLU A 41 106.960 -3.000 -11.017 1.00 0.27 H new ATOM 0 HA GLU A 41 108.510 -4.799 -9.235 1.00 0.31 H new ATOM 0 HB2 GLU A 41 107.762 -4.722 -12.217 1.00 0.36 H new ATOM 0 HB3 GLU A 41 108.561 -6.077 -11.445 1.00 0.36 H new ATOM 0 HG2 GLU A 41 106.636 -6.356 -9.884 1.00 0.36 H new ATOM 0 HG3 GLU A 41 105.845 -4.956 -10.581 1.00 0.36 H new ATOM 680 N GLY A 42 110.583 -3.319 -9.612 1.00 0.29 N ATOM 681 CA GLY A 42 112.010 -2.926 -9.826 1.00 0.30 C ATOM 682 C GLY A 42 112.586 -2.361 -8.525 1.00 0.26 C ATOM 683 O GLY A 42 111.877 -2.232 -7.542 1.00 0.26 O ATOM 0 H GLY A 42 110.230 -3.135 -8.673 1.00 0.29 H new ATOM 0 HA2 GLY A 42 112.591 -3.790 -10.148 1.00 0.30 H new ATOM 0 HA3 GLY A 42 112.078 -2.182 -10.619 1.00 0.30 H new ATOM 687 N THR A 43 113.858 -2.031 -8.523 1.00 0.24 N ATOM 688 CA THR A 43 114.497 -1.420 -7.314 1.00 0.20 C ATOM 689 C THR A 43 115.431 -0.275 -7.714 1.00 0.18 C ATOM 690 O THR A 43 115.899 -0.211 -8.836 1.00 0.21 O ATOM 691 CB THR A 43 115.301 -2.536 -6.633 1.00 0.21 C ATOM 692 OG1 THR A 43 115.905 -3.382 -7.605 1.00 0.24 O ATOM 693 CG2 THR A 43 114.380 -3.360 -5.732 1.00 0.24 C ATOM 0 H THR A 43 114.486 -2.161 -9.316 1.00 0.24 H new ATOM 0 HA THR A 43 113.741 -1.006 -6.646 1.00 0.20 H new ATOM 0 HB THR A 43 116.087 -2.081 -6.031 1.00 0.21 H new ATOM 0 HG1 THR A 43 116.415 -4.087 -7.154 1.00 0.24 H new ATOM 0 HG21 THR A 43 114.955 -4.151 -5.250 1.00 0.24 H new ATOM 0 HG22 THR A 43 113.943 -2.714 -4.970 1.00 0.24 H new ATOM 0 HG23 THR A 43 113.585 -3.803 -6.332 1.00 0.24 H new ATOM 701 N LEU A 44 115.692 0.619 -6.790 1.00 0.14 N ATOM 702 CA LEU A 44 116.776 1.630 -6.968 1.00 0.13 C ATOM 703 C LEU A 44 117.913 1.299 -5.999 1.00 0.10 C ATOM 704 O LEU A 44 117.733 1.367 -4.796 1.00 0.09 O ATOM 705 CB LEU A 44 116.125 2.970 -6.612 1.00 0.14 C ATOM 706 CG LEU A 44 117.105 4.117 -6.875 1.00 0.17 C ATOM 707 CD1 LEU A 44 117.272 4.314 -8.382 1.00 0.22 C ATOM 708 CD2 LEU A 44 116.562 5.405 -6.250 1.00 0.19 C ATOM 0 H LEU A 44 115.189 0.690 -5.905 1.00 0.14 H new ATOM 0 HA LEU A 44 117.193 1.649 -7.975 1.00 0.13 H new ATOM 0 HB2 LEU A 44 115.220 3.112 -7.203 1.00 0.14 H new ATOM 0 HB3 LEU A 44 115.825 2.971 -5.564 1.00 0.14 H new ATOM 0 HG LEU A 44 118.071 3.876 -6.432 1.00 0.17 H new ATOM 0 HD11 LEU A 44 117.970 5.131 -8.567 1.00 0.22 H new ATOM 0 HD12 LEU A 44 117.659 3.398 -8.828 1.00 0.22 H new ATOM 0 HD13 LEU A 44 116.306 4.554 -8.827 1.00 0.22 H new ATOM 0 HD21 LEU A 44 117.259 6.222 -6.437 1.00 0.19 H new ATOM 0 HD22 LEU A 44 115.595 5.645 -6.692 1.00 0.19 H new ATOM 0 HD23 LEU A 44 116.445 5.267 -5.175 1.00 0.19 H new ATOM 720 N ASN A 45 119.065 0.946 -6.519 1.00 0.10 N ATOM 721 CA ASN A 45 120.201 0.518 -5.647 1.00 0.10 C ATOM 722 C ASN A 45 121.196 1.669 -5.481 1.00 0.09 C ATOM 723 O ASN A 45 121.736 2.164 -6.455 1.00 0.10 O ATOM 724 CB ASN A 45 120.852 -0.652 -6.386 1.00 0.11 C ATOM 725 CG ASN A 45 120.010 -1.914 -6.191 1.00 0.13 C ATOM 726 OD1 ASN A 45 118.839 -1.932 -6.511 1.00 0.15 O ATOM 727 ND2 ASN A 45 120.564 -2.977 -5.675 1.00 0.15 N ATOM 0 H ASN A 45 119.266 0.937 -7.519 1.00 0.10 H new ATOM 0 HA ASN A 45 119.872 0.233 -4.648 1.00 0.10 H new ATOM 0 HB2 ASN A 45 120.939 -0.421 -7.448 1.00 0.11 H new ATOM 0 HB3 ASN A 45 121.862 -0.815 -6.011 1.00 0.11 H new ATOM 0 HD21 ASN A 45 120.013 -3.825 -5.540 1.00 0.15 H new ATOM 0 HD22 ASN A 45 121.548 -2.960 -5.407 1.00 0.15 H new ATOM 734 N LEU A 46 121.435 2.085 -4.259 1.00 0.08 N ATOM 735 CA LEU A 46 122.357 3.234 -3.999 1.00 0.07 C ATOM 736 C LEU A 46 123.512 2.805 -3.091 1.00 0.07 C ATOM 737 O LEU A 46 123.306 2.122 -2.103 1.00 0.08 O ATOM 738 CB LEU A 46 121.499 4.298 -3.311 1.00 0.06 C ATOM 739 CG LEU A 46 120.578 4.960 -4.339 1.00 0.07 C ATOM 740 CD1 LEU A 46 119.530 5.805 -3.614 1.00 0.07 C ATOM 741 CD2 LEU A 46 121.403 5.861 -5.262 1.00 0.07 C ATOM 0 H LEU A 46 121.025 1.671 -3.422 1.00 0.08 H new ATOM 0 HA LEU A 46 122.805 3.608 -4.920 1.00 0.07 H new ATOM 0 HB2 LEU A 46 120.907 3.844 -2.517 1.00 0.06 H new ATOM 0 HB3 LEU A 46 122.137 5.048 -2.844 1.00 0.06 H new ATOM 0 HG LEU A 46 120.083 4.189 -4.930 1.00 0.07 H new ATOM 0 HD11 LEU A 46 118.874 6.277 -4.345 1.00 0.07 H new ATOM 0 HD12 LEU A 46 118.940 5.167 -2.956 1.00 0.07 H new ATOM 0 HD13 LEU A 46 120.028 6.574 -3.024 1.00 0.07 H new ATOM 0 HD21 LEU A 46 120.746 6.332 -5.993 1.00 0.07 H new ATOM 0 HD22 LEU A 46 121.899 6.631 -4.671 1.00 0.07 H new ATOM 0 HD23 LEU A 46 122.153 5.263 -5.780 1.00 0.07 H new ATOM 753 N LYS A 47 124.714 3.208 -3.433 1.00 0.08 N ATOM 754 CA LYS A 47 125.893 2.982 -2.542 1.00 0.08 C ATOM 755 C LYS A 47 126.135 4.238 -1.701 1.00 0.08 C ATOM 756 O LYS A 47 126.128 5.337 -2.225 1.00 0.08 O ATOM 757 CB LYS A 47 127.069 2.726 -3.489 1.00 0.09 C ATOM 758 CG LYS A 47 128.304 2.310 -2.686 1.00 0.10 C ATOM 759 CD LYS A 47 129.516 2.240 -3.618 1.00 0.10 C ATOM 760 CE LYS A 47 130.720 1.688 -2.850 1.00 0.53 C ATOM 761 NZ LYS A 47 131.893 1.968 -3.724 1.00 1.33 N ATOM 0 H LYS A 47 124.929 3.691 -4.305 1.00 0.08 H new ATOM 0 HA LYS A 47 125.751 2.149 -1.853 1.00 0.08 H new ATOM 0 HB2 LYS A 47 126.809 1.945 -4.203 1.00 0.09 H new ATOM 0 HB3 LYS A 47 127.285 3.625 -4.065 1.00 0.09 H new ATOM 0 HG2 LYS A 47 128.488 3.025 -1.885 1.00 0.10 H new ATOM 0 HG3 LYS A 47 128.136 1.341 -2.216 1.00 0.10 H new ATOM 0 HD2 LYS A 47 129.294 1.602 -4.474 1.00 0.10 H new ATOM 0 HD3 LYS A 47 129.744 3.231 -4.010 1.00 0.10 H new ATOM 0 HE2 LYS A 47 130.826 2.173 -1.880 1.00 0.53 H new ATOM 0 HE3 LYS A 47 130.613 0.620 -2.663 1.00 0.53 H new ATOM 0 HZ1 LYS A 47 132.759 1.618 -3.266 1.00 1.33 H new ATOM 0 HZ2 LYS A 47 131.767 1.488 -4.638 1.00 1.33 H new ATOM 0 HZ3 LYS A 47 131.973 2.993 -3.879 1.00 1.33 H new ATOM 775 N LEU A 48 126.345 4.071 -0.416 1.00 0.08 N ATOM 776 CA LEU A 48 126.503 5.240 0.502 1.00 0.09 C ATOM 777 C LEU A 48 127.938 5.316 1.027 1.00 0.10 C ATOM 778 O LEU A 48 128.663 4.338 0.994 1.00 0.11 O ATOM 779 CB LEU A 48 125.539 4.990 1.663 1.00 0.09 C ATOM 780 CG LEU A 48 124.092 5.015 1.165 1.00 0.09 C ATOM 781 CD1 LEU A 48 123.168 4.495 2.268 1.00 0.10 C ATOM 782 CD2 LEU A 48 123.697 6.449 0.807 1.00 0.09 C ATOM 0 H LEU A 48 126.414 3.161 0.039 1.00 0.08 H new ATOM 0 HA LEU A 48 126.291 6.179 -0.010 1.00 0.09 H new ATOM 0 HB2 LEU A 48 125.756 4.026 2.124 1.00 0.09 H new ATOM 0 HB3 LEU A 48 125.680 5.750 2.432 1.00 0.09 H new ATOM 0 HG LEU A 48 124.001 4.383 0.282 1.00 0.09 H new ATOM 0 HD11 LEU A 48 122.136 4.512 1.916 1.00 0.10 H new ATOM 0 HD12 LEU A 48 123.447 3.473 2.525 1.00 0.10 H new ATOM 0 HD13 LEU A 48 123.261 5.129 3.150 1.00 0.10 H new ATOM 0 HD21 LEU A 48 122.666 6.465 0.453 1.00 0.09 H new ATOM 0 HD22 LEU A 48 123.787 7.082 1.690 1.00 0.09 H new ATOM 0 HD23 LEU A 48 124.356 6.823 0.023 1.00 0.09 H new ATOM 794 N ASP A 49 128.336 6.473 1.504 1.00 0.11 N ATOM 795 CA ASP A 49 129.659 6.611 2.192 1.00 0.13 C ATOM 796 C ASP A 49 129.550 6.347 3.706 1.00 0.13 C ATOM 797 O ASP A 49 130.474 6.647 4.441 1.00 0.15 O ATOM 798 CB ASP A 49 130.133 8.048 1.910 1.00 0.13 C ATOM 799 CG ASP A 49 129.155 9.090 2.473 1.00 0.14 C ATOM 800 OD1 ASP A 49 127.992 9.039 2.111 1.00 0.18 O ATOM 801 OD2 ASP A 49 129.590 9.918 3.257 1.00 0.18 O ATOM 0 H ASP A 49 127.794 7.335 1.445 1.00 0.11 H new ATOM 0 HA ASP A 49 130.370 5.874 1.818 1.00 0.13 H new ATOM 0 HB2 ASP A 49 131.119 8.199 2.350 1.00 0.13 H new ATOM 0 HB3 ASP A 49 130.239 8.192 0.835 1.00 0.13 H new ATOM 806 N ARG A 50 128.445 5.795 4.171 1.00 0.13 N ATOM 807 CA ARG A 50 128.251 5.555 5.633 1.00 0.14 C ATOM 808 C ARG A 50 127.428 4.280 5.837 1.00 0.14 C ATOM 809 O ARG A 50 126.502 4.019 5.090 1.00 0.14 O ATOM 810 CB ARG A 50 127.477 6.772 6.147 1.00 0.15 C ATOM 811 CG ARG A 50 128.349 8.027 6.052 1.00 0.16 C ATOM 812 CD ARG A 50 127.634 9.194 6.741 1.00 0.17 C ATOM 813 NE ARG A 50 128.470 10.409 6.461 1.00 1.02 N ATOM 814 CZ ARG A 50 128.461 11.475 7.239 1.00 1.47 C ATOM 815 NH1 ARG A 50 127.702 11.579 8.307 1.00 2.06 N ATOM 816 NH2 ARG A 50 129.234 12.479 6.926 1.00 1.67 N ATOM 0 H ARG A 50 127.664 5.499 3.586 1.00 0.13 H new ATOM 0 HA ARG A 50 129.196 5.428 6.160 1.00 0.14 H new ATOM 0 HB2 ARG A 50 126.566 6.907 5.563 1.00 0.15 H new ATOM 0 HB3 ARG A 50 127.172 6.609 7.181 1.00 0.15 H new ATOM 0 HG2 ARG A 50 129.316 7.849 6.523 1.00 0.16 H new ATOM 0 HG3 ARG A 50 128.544 8.270 5.007 1.00 0.16 H new ATOM 0 HD2 ARG A 50 126.623 9.317 6.353 1.00 0.17 H new ATOM 0 HD3 ARG A 50 127.545 9.020 7.813 1.00 0.17 H new ATOM 0 HE ARG A 50 129.069 10.411 5.636 1.00 1.02 H new ATOM 0 HH11 ARG A 50 127.082 10.813 8.568 1.00 2.06 H new ATOM 0 HH12 ARG A 50 127.734 12.426 8.875 1.00 2.06 H new ATOM 0 HH21 ARG A 50 129.826 12.428 6.097 1.00 1.67 H new ATOM 0 HH22 ARG A 50 129.246 13.315 7.510 1.00 1.67 H new ATOM 830 N GLU A 51 127.763 3.495 6.838 1.00 0.15 N ATOM 831 CA GLU A 51 126.989 2.241 7.137 1.00 0.16 C ATOM 832 C GLU A 51 125.540 2.575 7.519 1.00 0.16 C ATOM 833 O GLU A 51 125.277 3.623 8.083 1.00 0.17 O ATOM 834 CB GLU A 51 127.715 1.533 8.296 1.00 0.17 C ATOM 835 CG GLU A 51 127.814 2.436 9.533 1.00 1.25 C ATOM 836 CD GLU A 51 128.231 1.598 10.744 1.00 1.44 C ATOM 837 OE1 GLU A 51 127.432 0.785 11.179 1.00 1.73 O ATOM 838 OE2 GLU A 51 129.340 1.784 11.214 1.00 1.94 O ATOM 0 H GLU A 51 128.547 3.671 7.467 1.00 0.15 H new ATOM 0 HA GLU A 51 126.943 1.595 6.260 1.00 0.16 H new ATOM 0 HB2 GLU A 51 127.183 0.617 8.554 1.00 0.17 H new ATOM 0 HB3 GLU A 51 128.715 1.241 7.976 1.00 0.17 H new ATOM 0 HG2 GLU A 51 128.540 3.230 9.360 1.00 1.25 H new ATOM 0 HG3 GLU A 51 126.855 2.917 9.723 1.00 1.25 H new ATOM 845 N PHE A 52 124.617 1.690 7.214 1.00 0.15 N ATOM 846 CA PHE A 52 123.178 1.930 7.542 1.00 0.15 C ATOM 847 C PHE A 52 122.570 0.701 8.224 1.00 0.17 C ATOM 848 O PHE A 52 122.821 -0.422 7.820 1.00 0.19 O ATOM 849 CB PHE A 52 122.495 2.185 6.197 1.00 0.15 C ATOM 850 CG PHE A 52 121.048 2.601 6.326 1.00 0.15 C ATOM 851 CD1 PHE A 52 120.063 1.648 6.733 1.00 0.31 C ATOM 852 CD2 PHE A 52 120.662 3.949 6.042 1.00 0.30 C ATOM 853 CE1 PHE A 52 118.695 2.043 6.859 1.00 0.32 C ATOM 854 CE2 PHE A 52 119.293 4.342 6.166 1.00 0.31 C ATOM 855 CZ PHE A 52 118.311 3.389 6.576 1.00 0.17 C ATOM 0 H PHE A 52 124.805 0.803 6.747 1.00 0.15 H new ATOM 0 HA PHE A 52 123.053 2.767 8.229 1.00 0.15 H new ATOM 0 HB2 PHE A 52 123.042 2.961 5.662 1.00 0.15 H new ATOM 0 HB3 PHE A 52 122.552 1.280 5.592 1.00 0.15 H new ATOM 0 HD1 PHE A 52 120.353 0.629 6.945 1.00 0.31 H new ATOM 0 HD2 PHE A 52 121.405 4.670 5.734 1.00 0.30 H new ATOM 0 HE1 PHE A 52 117.952 1.323 7.168 1.00 0.32 H new ATOM 0 HE2 PHE A 52 119.001 5.359 5.950 1.00 0.31 H new ATOM 0 HZ PHE A 52 117.277 3.687 6.672 1.00 0.17 H new ATOM 865 N ASP A 53 121.779 0.919 9.249 1.00 0.18 N ATOM 866 CA ASP A 53 121.040 -0.195 9.915 1.00 0.20 C ATOM 867 C ASP A 53 119.609 0.249 10.234 1.00 0.18 C ATOM 868 O ASP A 53 119.409 1.230 10.930 1.00 0.19 O ATOM 869 CB ASP A 53 121.819 -0.472 11.203 1.00 0.25 C ATOM 870 CG ASP A 53 121.290 -1.750 11.860 1.00 0.80 C ATOM 871 OD1 ASP A 53 121.092 -2.721 11.148 1.00 1.40 O ATOM 872 OD2 ASP A 53 121.094 -1.735 13.063 1.00 1.35 O ATOM 0 H ASP A 53 121.614 1.839 9.657 1.00 0.18 H new ATOM 0 HA ASP A 53 120.968 -1.083 9.287 1.00 0.20 H new ATOM 0 HB2 ASP A 53 122.881 -0.578 10.982 1.00 0.25 H new ATOM 0 HB3 ASP A 53 121.719 0.369 11.889 1.00 0.25 H new ATOM 877 N ILE A 54 118.627 -0.467 9.731 1.00 0.17 N ATOM 878 CA ILE A 54 117.194 -0.071 9.944 1.00 0.16 C ATOM 879 C ILE A 54 116.815 -0.115 11.439 1.00 0.16 C ATOM 880 O ILE A 54 115.876 0.548 11.847 1.00 0.15 O ATOM 881 CB ILE A 54 116.348 -1.045 9.097 1.00 0.15 C ATOM 882 CG1 ILE A 54 114.869 -0.637 9.162 1.00 0.14 C ATOM 883 CG2 ILE A 54 116.514 -2.490 9.586 1.00 0.16 C ATOM 884 CD1 ILE A 54 114.070 -1.389 8.096 1.00 0.16 C ATOM 0 H ILE A 54 118.758 -1.314 9.178 1.00 0.17 H new ATOM 0 HA ILE A 54 117.015 0.958 9.634 1.00 0.16 H new ATOM 0 HB ILE A 54 116.696 -0.994 8.065 1.00 0.15 H new ATOM 0 HG12 ILE A 54 114.466 -0.855 10.151 1.00 0.14 H new ATOM 0 HG13 ILE A 54 114.773 0.438 9.009 1.00 0.14 H new ATOM 0 HG21 ILE A 54 115.907 -3.154 8.971 1.00 0.16 H new ATOM 0 HG22 ILE A 54 117.561 -2.782 9.510 1.00 0.16 H new ATOM 0 HG23 ILE A 54 116.192 -2.562 10.625 1.00 0.16 H new ATOM 0 HD11 ILE A 54 113.022 -1.093 8.150 1.00 0.16 H new ATOM 0 HD12 ILE A 54 114.464 -1.149 7.109 1.00 0.16 H new ATOM 0 HD13 ILE A 54 114.153 -2.462 8.269 1.00 0.16 H new ATOM 896 N ASN A 55 117.529 -0.879 12.239 1.00 0.17 N ATOM 897 CA ASN A 55 117.207 -0.974 13.703 1.00 0.17 C ATOM 898 C ASN A 55 117.635 0.287 14.474 1.00 0.18 C ATOM 899 O ASN A 55 117.423 0.358 15.672 1.00 0.18 O ATOM 900 CB ASN A 55 117.966 -2.197 14.228 1.00 0.19 C ATOM 901 CG ASN A 55 117.385 -3.468 13.607 1.00 0.20 C ATOM 902 OD1 ASN A 55 117.032 -3.484 12.444 1.00 0.77 O ATOM 903 ND2 ASN A 55 117.269 -4.542 14.338 1.00 0.93 N ATOM 0 H ASN A 55 118.324 -1.443 11.938 1.00 0.17 H new ATOM 0 HA ASN A 55 116.130 -1.066 13.846 1.00 0.17 H new ATOM 0 HB2 ASN A 55 119.025 -2.112 13.984 1.00 0.19 H new ATOM 0 HB3 ASN A 55 117.892 -2.245 15.314 1.00 0.19 H new ATOM 0 HD21 ASN A 55 116.882 -5.395 13.934 1.00 0.93 H new ATOM 0 HD22 ASN A 55 117.565 -4.529 15.314 1.00 0.93 H new ATOM 910 N LYS A 56 118.228 1.264 13.818 1.00 0.20 N ATOM 911 CA LYS A 56 118.475 2.592 14.471 1.00 0.21 C ATOM 912 C LYS A 56 117.301 3.558 14.242 1.00 0.21 C ATOM 913 O LYS A 56 117.218 4.575 14.909 1.00 0.22 O ATOM 914 CB LYS A 56 119.756 3.136 13.834 1.00 0.24 C ATOM 915 CG LYS A 56 120.941 2.257 14.237 1.00 0.25 C ATOM 916 CD LYS A 56 122.237 2.867 13.699 1.00 0.76 C ATOM 917 CE LYS A 56 123.406 1.922 13.987 1.00 1.02 C ATOM 918 NZ LYS A 56 124.611 2.797 14.014 1.00 1.52 N ATOM 0 H LYS A 56 118.552 1.195 12.853 1.00 0.20 H new ATOM 0 HA LYS A 56 118.574 2.486 15.551 1.00 0.21 H new ATOM 0 HB2 LYS A 56 119.656 3.154 12.749 1.00 0.24 H new ATOM 0 HB3 LYS A 56 119.926 4.164 14.155 1.00 0.24 H new ATOM 0 HG2 LYS A 56 120.991 2.171 15.322 1.00 0.25 H new ATOM 0 HG3 LYS A 56 120.810 1.249 13.843 1.00 0.25 H new ATOM 0 HD2 LYS A 56 122.152 3.040 12.626 1.00 0.76 H new ATOM 0 HD3 LYS A 56 122.416 3.836 14.165 1.00 0.76 H new ATOM 0 HE2 LYS A 56 123.271 1.406 14.938 1.00 1.02 H new ATOM 0 HE3 LYS A 56 123.492 1.155 13.217 1.00 1.02 H new ATOM 0 HZ1 LYS A 56 125.455 2.220 14.207 1.00 1.52 H new ATOM 0 HZ2 LYS A 56 124.717 3.270 13.094 1.00 1.52 H new ATOM 0 HZ3 LYS A 56 124.503 3.513 14.761 1.00 1.52 H new ATOM 932 N PHE A 57 116.408 3.261 13.317 1.00 0.20 N ATOM 933 CA PHE A 57 115.168 4.081 13.144 1.00 0.20 C ATOM 934 C PHE A 57 113.940 3.222 13.453 1.00 0.17 C ATOM 935 O PHE A 57 114.065 2.034 13.695 1.00 0.15 O ATOM 936 CB PHE A 57 115.150 4.525 11.678 1.00 0.24 C ATOM 937 CG PHE A 57 116.386 5.276 11.239 1.00 0.27 C ATOM 938 CD1 PHE A 57 116.446 6.699 11.368 1.00 0.31 C ATOM 939 CD2 PHE A 57 117.499 4.561 10.698 1.00 0.28 C ATOM 940 CE1 PHE A 57 117.619 7.405 10.956 1.00 0.35 C ATOM 941 CE2 PHE A 57 118.671 5.266 10.285 1.00 0.31 C ATOM 942 CZ PHE A 57 118.731 6.688 10.414 1.00 0.35 C ATOM 0 H PHE A 57 116.492 2.476 12.671 1.00 0.20 H new ATOM 0 HA PHE A 57 115.153 4.940 13.815 1.00 0.20 H new ATOM 0 HB2 PHE A 57 115.030 3.645 11.046 1.00 0.24 H new ATOM 0 HB3 PHE A 57 114.278 5.157 11.513 1.00 0.24 H new ATOM 0 HD1 PHE A 57 115.605 7.240 11.777 1.00 0.31 H new ATOM 0 HD2 PHE A 57 117.454 3.486 10.601 1.00 0.28 H new ATOM 0 HE1 PHE A 57 117.665 8.480 11.054 1.00 0.35 H new ATOM 0 HE2 PHE A 57 119.511 4.725 9.876 1.00 0.31 H new ATOM 0 HZ PHE A 57 119.617 7.221 10.102 1.00 0.35 H new ATOM 952 N LYS A 58 112.768 3.817 13.445 1.00 0.18 N ATOM 953 CA LYS A 58 111.517 3.066 13.783 1.00 0.17 C ATOM 954 C LYS A 58 110.883 2.499 12.509 1.00 0.15 C ATOM 955 O LYS A 58 110.270 3.225 11.747 1.00 0.15 O ATOM 956 CB LYS A 58 110.587 4.090 14.438 1.00 0.20 C ATOM 957 CG LYS A 58 111.175 4.534 15.780 1.00 0.23 C ATOM 958 CD LYS A 58 110.203 5.494 16.470 1.00 0.87 C ATOM 959 CE LYS A 58 110.852 6.053 17.739 1.00 1.29 C ATOM 960 NZ LYS A 58 109.826 6.957 18.328 1.00 1.80 N ATOM 0 H LYS A 58 112.625 4.801 13.216 1.00 0.18 H new ATOM 0 HA LYS A 58 111.713 2.223 14.446 1.00 0.17 H new ATOM 0 HB2 LYS A 58 110.459 4.952 13.783 1.00 0.20 H new ATOM 0 HB3 LYS A 58 109.599 3.655 14.589 1.00 0.20 H new ATOM 0 HG2 LYS A 58 111.358 3.666 16.414 1.00 0.23 H new ATOM 0 HG3 LYS A 58 112.137 5.023 15.624 1.00 0.23 H new ATOM 0 HD2 LYS A 58 109.939 6.308 15.795 1.00 0.87 H new ATOM 0 HD3 LYS A 58 109.278 4.974 16.720 1.00 0.87 H new ATOM 0 HE2 LYS A 58 111.119 5.254 18.431 1.00 1.29 H new ATOM 0 HE3 LYS A 58 111.770 6.594 17.508 1.00 1.29 H new ATOM 0 HZ1 LYS A 58 110.197 7.380 19.203 1.00 1.80 H new ATOM 0 HZ2 LYS A 58 109.597 7.711 17.649 1.00 1.80 H new ATOM 0 HZ3 LYS A 58 108.966 6.413 18.544 1.00 1.80 H new ATOM 974 N TYR A 59 111.033 1.212 12.288 1.00 0.13 N ATOM 975 CA TYR A 59 110.467 0.561 11.068 1.00 0.12 C ATOM 976 C TYR A 59 109.289 -0.350 11.440 1.00 0.12 C ATOM 977 O TYR A 59 108.970 -0.504 12.606 1.00 0.14 O ATOM 978 CB TYR A 59 111.640 -0.232 10.469 1.00 0.12 C ATOM 979 CG TYR A 59 112.125 -1.391 11.318 1.00 0.12 C ATOM 980 CD1 TYR A 59 113.149 -1.190 12.295 1.00 0.12 C ATOM 981 CD2 TYR A 59 111.552 -2.689 11.141 1.00 0.13 C ATOM 982 CE1 TYR A 59 113.598 -2.286 13.096 1.00 0.13 C ATOM 983 CE2 TYR A 59 112.001 -3.784 11.943 1.00 0.15 C ATOM 984 CZ TYR A 59 113.024 -3.582 12.920 1.00 0.14 C ATOM 985 OH TYR A 59 113.458 -4.639 13.692 1.00 0.16 O ATOM 0 H TYR A 59 111.532 0.579 12.913 1.00 0.13 H new ATOM 0 HA TYR A 59 110.067 1.280 10.353 1.00 0.12 H new ATOM 0 HB2 TYR A 59 111.340 -0.615 9.494 1.00 0.12 H new ATOM 0 HB3 TYR A 59 112.473 0.450 10.301 1.00 0.12 H new ATOM 0 HD1 TYR A 59 113.584 -0.210 12.428 1.00 0.12 H new ATOM 0 HD2 TYR A 59 110.780 -2.842 10.401 1.00 0.13 H new ATOM 0 HE1 TYR A 59 114.371 -2.134 13.834 1.00 0.13 H new ATOM 0 HE2 TYR A 59 111.567 -4.764 11.810 1.00 0.15 H new ATOM 0 HH TYR A 59 112.818 -5.378 13.624 1.00 0.16 H new ATOM 995 N ILE A 60 108.654 -0.942 10.454 1.00 0.12 N ATOM 996 CA ILE A 60 107.555 -1.923 10.715 1.00 0.13 C ATOM 997 C ILE A 60 108.046 -3.317 10.303 1.00 0.13 C ATOM 998 O ILE A 60 108.571 -3.489 9.218 1.00 0.13 O ATOM 999 CB ILE A 60 106.363 -1.468 9.850 1.00 0.14 C ATOM 1000 CG1 ILE A 60 105.931 -0.047 10.240 1.00 0.15 C ATOM 1001 CG2 ILE A 60 105.168 -2.406 10.057 1.00 0.16 C ATOM 1002 CD1 ILE A 60 105.012 0.525 9.157 1.00 0.16 C ATOM 0 H ILE A 60 108.855 -0.783 9.467 1.00 0.12 H new ATOM 0 HA ILE A 60 107.261 -1.967 11.764 1.00 0.13 H new ATOM 0 HB ILE A 60 106.679 -1.488 8.807 1.00 0.14 H new ATOM 0 HG12 ILE A 60 105.413 -0.064 11.199 1.00 0.15 H new ATOM 0 HG13 ILE A 60 106.807 0.590 10.362 1.00 0.15 H new ATOM 0 HG21 ILE A 60 104.333 -2.073 9.440 1.00 0.16 H new ATOM 0 HG22 ILE A 60 105.448 -3.420 9.772 1.00 0.16 H new ATOM 0 HG23 ILE A 60 104.872 -2.392 11.106 1.00 0.16 H new ATOM 0 HD11 ILE A 60 104.706 1.534 9.435 1.00 0.16 H new ATOM 0 HD12 ILE A 60 105.545 0.556 8.207 1.00 0.16 H new ATOM 0 HD13 ILE A 60 104.130 -0.107 9.057 1.00 0.16 H new ATOM 1014 N GLU A 61 107.879 -4.292 11.167 1.00 0.14 N ATOM 1015 CA GLU A 61 108.341 -5.681 10.863 1.00 0.15 C ATOM 1016 C GLU A 61 107.142 -6.579 10.545 1.00 0.17 C ATOM 1017 O GLU A 61 106.093 -6.445 11.150 1.00 0.20 O ATOM 1018 CB GLU A 61 109.034 -6.151 12.143 1.00 0.15 C ATOM 1019 CG GLU A 61 109.763 -7.471 11.879 1.00 0.17 C ATOM 1020 CD GLU A 61 110.374 -7.985 13.183 1.00 0.63 C ATOM 1021 OE1 GLU A 61 111.409 -7.470 13.574 1.00 1.18 O ATOM 1022 OE2 GLU A 61 109.797 -8.885 13.771 1.00 1.23 O ATOM 0 H GLU A 61 107.437 -4.181 12.079 1.00 0.14 H new ATOM 0 HA GLU A 61 109.004 -5.718 9.999 1.00 0.15 H new ATOM 0 HB2 GLU A 61 109.742 -5.395 12.484 1.00 0.15 H new ATOM 0 HB3 GLU A 61 108.300 -6.282 12.938 1.00 0.15 H new ATOM 0 HG2 GLU A 61 109.069 -8.208 11.475 1.00 0.17 H new ATOM 0 HG3 GLU A 61 110.543 -7.325 11.132 1.00 0.17 H new ATOM 1029 N THR A 62 107.300 -7.483 9.605 1.00 0.18 N ATOM 1030 CA THR A 62 106.208 -8.449 9.268 1.00 0.23 C ATOM 1031 C THR A 62 106.676 -9.890 9.504 1.00 0.21 C ATOM 1032 O THR A 62 107.764 -10.262 9.104 1.00 0.20 O ATOM 1033 CB THR A 62 105.905 -8.213 7.788 1.00 0.29 C ATOM 1034 OG1 THR A 62 107.112 -8.280 7.042 1.00 0.31 O ATOM 1035 CG2 THR A 62 105.268 -6.833 7.614 1.00 0.36 C ATOM 0 H THR A 62 108.150 -7.592 9.052 1.00 0.18 H new ATOM 0 HA THR A 62 105.325 -8.301 9.889 1.00 0.23 H new ATOM 0 HB THR A 62 105.216 -8.977 7.429 1.00 0.29 H new ATOM 0 HG1 THR A 62 107.585 -7.425 7.108 1.00 0.31 H new ATOM 0 HG21 THR A 62 105.051 -6.663 6.559 1.00 0.36 H new ATOM 0 HG22 THR A 62 104.342 -6.785 8.187 1.00 0.36 H new ATOM 0 HG23 THR A 62 105.956 -6.067 7.971 1.00 0.36 H new ATOM 1043 N GLU A 63 105.847 -10.683 10.144 1.00 0.22 N ATOM 1044 CA GLU A 63 106.270 -12.040 10.623 1.00 0.23 C ATOM 1045 C GLU A 63 106.329 -13.051 9.469 1.00 0.23 C ATOM 1046 O GLU A 63 105.925 -12.753 8.360 1.00 0.23 O ATOM 1047 CB GLU A 63 105.243 -12.472 11.687 1.00 0.25 C ATOM 1048 CG GLU A 63 103.823 -12.529 11.108 1.00 0.27 C ATOM 1049 CD GLU A 63 102.937 -13.385 12.016 1.00 0.46 C ATOM 1050 OE1 GLU A 63 102.588 -12.913 13.085 1.00 1.29 O ATOM 1051 OE2 GLU A 63 102.622 -14.497 11.626 1.00 1.06 O ATOM 0 H GLU A 63 104.879 -10.443 10.358 1.00 0.22 H new ATOM 0 HA GLU A 63 107.275 -12.002 11.043 1.00 0.23 H new ATOM 0 HB2 GLU A 63 105.516 -13.451 12.081 1.00 0.25 H new ATOM 0 HB3 GLU A 63 105.268 -11.773 12.523 1.00 0.25 H new ATOM 0 HG2 GLU A 63 103.412 -11.523 11.024 1.00 0.27 H new ATOM 0 HG3 GLU A 63 103.845 -12.949 10.102 1.00 0.27 H new ATOM 1058 N ASP A 64 106.830 -14.237 9.741 1.00 0.24 N ATOM 1059 CA ASP A 64 106.967 -15.291 8.679 1.00 0.24 C ATOM 1060 C ASP A 64 105.574 -15.754 8.238 1.00 0.24 C ATOM 1061 O ASP A 64 104.693 -15.921 9.063 1.00 0.26 O ATOM 1062 CB ASP A 64 107.733 -16.463 9.317 1.00 0.26 C ATOM 1063 CG ASP A 64 109.122 -16.010 9.775 1.00 0.27 C ATOM 1064 OD1 ASP A 64 109.887 -15.565 8.936 1.00 0.24 O ATOM 1065 OD2 ASP A 64 109.397 -16.118 10.959 1.00 0.33 O ATOM 0 H ASP A 64 107.154 -14.522 10.665 1.00 0.24 H new ATOM 0 HA ASP A 64 107.494 -14.911 7.804 1.00 0.24 H new ATOM 0 HB2 ASP A 64 107.172 -16.852 10.167 1.00 0.26 H new ATOM 0 HB3 ASP A 64 107.828 -17.277 8.598 1.00 0.26 H new ATOM 1070 N PHE A 65 105.382 -15.959 6.954 1.00 0.23 N ATOM 1071 CA PHE A 65 104.023 -16.295 6.423 1.00 0.24 C ATOM 1072 C PHE A 65 104.116 -17.382 5.346 1.00 0.23 C ATOM 1073 O PHE A 65 105.194 -17.692 4.873 1.00 0.23 O ATOM 1074 CB PHE A 65 103.485 -14.982 5.839 1.00 0.23 C ATOM 1075 CG PHE A 65 104.327 -14.404 4.722 1.00 0.21 C ATOM 1076 CD1 PHE A 65 104.061 -14.773 3.368 1.00 0.21 C ATOM 1077 CD2 PHE A 65 105.386 -13.492 5.021 1.00 0.21 C ATOM 1078 CE1 PHE A 65 104.854 -14.229 2.310 1.00 0.23 C ATOM 1079 CE2 PHE A 65 106.179 -12.948 3.963 1.00 0.22 C ATOM 1080 CZ PHE A 65 105.913 -13.317 2.607 1.00 0.24 C ATOM 0 H PHE A 65 106.116 -15.907 6.247 1.00 0.23 H new ATOM 0 HA PHE A 65 103.366 -16.690 7.198 1.00 0.24 H new ATOM 0 HB2 PHE A 65 102.475 -15.151 5.466 1.00 0.23 H new ATOM 0 HB3 PHE A 65 103.410 -14.246 6.640 1.00 0.23 H new ATOM 0 HD1 PHE A 65 103.261 -15.463 3.143 1.00 0.21 H new ATOM 0 HD2 PHE A 65 105.587 -13.214 6.045 1.00 0.21 H new ATOM 0 HE1 PHE A 65 104.653 -14.507 1.286 1.00 0.23 H new ATOM 0 HE2 PHE A 65 106.979 -12.258 4.188 1.00 0.22 H new ATOM 0 HZ PHE A 65 106.512 -12.906 1.808 1.00 0.24 H new ATOM 1090 N GLU A 66 102.993 -17.949 4.968 1.00 0.24 N ATOM 1091 CA GLU A 66 102.973 -18.987 3.890 1.00 0.24 C ATOM 1092 C GLU A 66 101.991 -18.592 2.783 1.00 0.22 C ATOM 1093 O GLU A 66 100.999 -17.932 3.034 1.00 0.23 O ATOM 1094 CB GLU A 66 102.512 -20.273 4.583 1.00 0.27 C ATOM 1095 CG GLU A 66 103.723 -21.015 5.159 1.00 0.32 C ATOM 1096 CD GLU A 66 103.267 -22.244 5.954 1.00 0.56 C ATOM 1097 OE1 GLU A 66 102.244 -22.164 6.616 1.00 0.64 O ATOM 1098 OE2 GLU A 66 103.959 -23.247 5.893 1.00 0.80 O ATOM 0 H GLU A 66 102.079 -17.733 5.367 1.00 0.24 H new ATOM 0 HA GLU A 66 103.948 -19.105 3.418 1.00 0.24 H new ATOM 0 HB2 GLU A 66 101.807 -20.035 5.380 1.00 0.27 H new ATOM 0 HB3 GLU A 66 101.987 -20.912 3.873 1.00 0.27 H new ATOM 0 HG2 GLU A 66 104.387 -21.322 4.351 1.00 0.32 H new ATOM 0 HG3 GLU A 66 104.294 -20.347 5.805 1.00 0.32 H new ATOM 1105 N PHE A 67 102.276 -19.000 1.568 1.00 0.23 N ATOM 1106 CA PHE A 67 101.343 -18.768 0.424 1.00 0.24 C ATOM 1107 C PHE A 67 101.466 -19.927 -0.569 1.00 0.29 C ATOM 1108 O PHE A 67 102.559 -20.342 -0.903 1.00 0.31 O ATOM 1109 CB PHE A 67 101.807 -17.456 -0.212 1.00 0.25 C ATOM 1110 CG PHE A 67 100.954 -17.013 -1.379 1.00 0.28 C ATOM 1111 CD1 PHE A 67 101.276 -17.445 -2.703 1.00 0.37 C ATOM 1112 CD2 PHE A 67 99.821 -16.170 -1.157 1.00 0.38 C ATOM 1113 CE1 PHE A 67 100.466 -17.031 -3.806 1.00 0.46 C ATOM 1114 CE2 PHE A 67 99.011 -15.757 -2.261 1.00 0.48 C ATOM 1115 CZ PHE A 67 99.334 -16.188 -3.585 1.00 0.50 C ATOM 0 H PHE A 67 103.133 -19.493 1.319 1.00 0.23 H new ATOM 0 HA PHE A 67 100.299 -18.711 0.733 1.00 0.24 H new ATOM 0 HB2 PHE A 67 101.804 -16.673 0.547 1.00 0.25 H new ATOM 0 HB3 PHE A 67 102.837 -17.570 -0.549 1.00 0.25 H new ATOM 0 HD1 PHE A 67 102.131 -18.084 -2.870 1.00 0.37 H new ATOM 0 HD2 PHE A 67 99.577 -15.845 -0.156 1.00 0.38 H new ATOM 0 HE1 PHE A 67 100.710 -17.356 -4.807 1.00 0.46 H new ATOM 0 HE2 PHE A 67 98.155 -15.119 -2.094 1.00 0.48 H new ATOM 0 HZ PHE A 67 98.722 -15.876 -4.419 1.00 0.50 H new ATOM 1125 N ASN A 68 100.352 -20.454 -1.038 1.00 0.33 N ATOM 1126 CA ASN A 68 100.346 -21.586 -2.031 1.00 0.38 C ATOM 1127 C ASN A 68 101.223 -22.764 -1.571 1.00 0.38 C ATOM 1128 O ASN A 68 101.823 -23.448 -2.383 1.00 0.42 O ATOM 1129 CB ASN A 68 100.870 -20.996 -3.347 1.00 0.44 C ATOM 1130 CG ASN A 68 99.789 -20.117 -3.980 1.00 0.52 C ATOM 1131 OD1 ASN A 68 99.072 -19.420 -3.289 1.00 1.31 O ATOM 1132 ND2 ASN A 68 99.642 -20.119 -5.276 1.00 0.96 N ATOM 0 H ASN A 68 99.422 -20.137 -0.766 1.00 0.33 H new ATOM 0 HA ASN A 68 99.341 -21.993 -2.142 1.00 0.38 H new ATOM 0 HB2 ASN A 68 101.769 -20.408 -3.162 1.00 0.44 H new ATOM 0 HB3 ASN A 68 101.149 -21.797 -4.031 1.00 0.44 H new ATOM 0 HD21 ASN A 68 98.926 -19.536 -5.709 1.00 0.96 H new ATOM 0 HD22 ASN A 68 100.243 -20.704 -5.857 1.00 0.96 H new ATOM 1139 N GLY A 69 101.291 -22.992 -0.279 1.00 0.35 N ATOM 1140 CA GLY A 69 102.046 -24.163 0.268 1.00 0.39 C ATOM 1141 C GLY A 69 103.562 -23.909 0.290 1.00 0.40 C ATOM 1142 O GLY A 69 104.328 -24.849 0.407 1.00 0.46 O ATOM 0 H GLY A 69 100.848 -22.406 0.429 1.00 0.35 H new ATOM 0 HA2 GLY A 69 101.699 -24.378 1.279 1.00 0.39 H new ATOM 0 HA3 GLY A 69 101.835 -25.045 -0.336 1.00 0.39 H new ATOM 1146 N LYS A 70 103.997 -22.670 0.181 1.00 0.37 N ATOM 1147 CA LYS A 70 105.458 -22.353 0.216 1.00 0.40 C ATOM 1148 C LYS A 70 105.747 -21.369 1.353 1.00 0.35 C ATOM 1149 O LYS A 70 104.964 -20.470 1.599 1.00 0.30 O ATOM 1150 CB LYS A 70 105.761 -21.713 -1.140 1.00 0.43 C ATOM 1151 CG LYS A 70 105.610 -22.759 -2.248 1.00 0.48 C ATOM 1152 CD LYS A 70 106.000 -22.140 -3.591 1.00 0.95 C ATOM 1153 CE LYS A 70 105.736 -23.148 -4.714 1.00 1.20 C ATOM 1154 NZ LYS A 70 105.502 -22.317 -5.928 1.00 1.89 N ATOM 0 H LYS A 70 103.390 -21.858 0.068 1.00 0.37 H new ATOM 0 HA LYS A 70 106.072 -23.237 0.390 1.00 0.40 H new ATOM 0 HB2 LYS A 70 105.083 -20.879 -1.319 1.00 0.43 H new ATOM 0 HB3 LYS A 70 106.773 -21.308 -1.144 1.00 0.43 H new ATOM 0 HG2 LYS A 70 106.241 -23.622 -2.036 1.00 0.48 H new ATOM 0 HG3 LYS A 70 104.582 -23.118 -2.286 1.00 0.48 H new ATOM 0 HD2 LYS A 70 105.427 -21.229 -3.764 1.00 0.95 H new ATOM 0 HD3 LYS A 70 107.053 -21.858 -3.581 1.00 0.95 H new ATOM 0 HE2 LYS A 70 106.585 -23.818 -4.851 1.00 1.20 H new ATOM 0 HE3 LYS A 70 104.871 -23.772 -4.490 1.00 1.20 H new ATOM 0 HZ1 LYS A 70 105.314 -22.937 -6.742 1.00 1.89 H new ATOM 0 HZ2 LYS A 70 104.684 -21.694 -5.770 1.00 1.89 H new ATOM 0 HZ3 LYS A 70 106.345 -21.739 -6.121 1.00 1.89 H new ATOM 1168 N ARG A 71 106.859 -21.541 2.032 1.00 0.38 N ATOM 1169 CA ARG A 71 107.185 -20.677 3.210 1.00 0.35 C ATOM 1170 C ARG A 71 108.047 -19.486 2.781 1.00 0.34 C ATOM 1171 O ARG A 71 109.009 -19.648 2.051 1.00 0.38 O ATOM 1172 CB ARG A 71 107.958 -21.582 4.172 1.00 0.40 C ATOM 1173 CG ARG A 71 107.020 -22.658 4.723 1.00 0.42 C ATOM 1174 CD ARG A 71 107.778 -23.543 5.718 1.00 0.46 C ATOM 1175 NE ARG A 71 106.799 -24.593 6.158 1.00 0.76 N ATOM 1176 CZ ARG A 71 107.174 -25.774 6.610 1.00 1.04 C ATOM 1177 NH1 ARG A 71 108.433 -26.126 6.738 1.00 0.94 N ATOM 1178 NH2 ARG A 71 106.252 -26.628 6.957 1.00 1.47 N ATOM 0 H ARG A 71 107.560 -22.250 1.817 1.00 0.38 H new ATOM 0 HA ARG A 71 106.288 -20.265 3.673 1.00 0.35 H new ATOM 0 HB2 ARG A 71 108.798 -22.046 3.656 1.00 0.40 H new ATOM 0 HB3 ARG A 71 108.373 -20.992 4.990 1.00 0.40 H new ATOM 0 HG2 ARG A 71 106.165 -22.192 5.213 1.00 0.42 H new ATOM 0 HG3 ARG A 71 106.628 -23.265 3.907 1.00 0.42 H new ATOM 0 HD2 ARG A 71 108.653 -23.995 5.252 1.00 0.46 H new ATOM 0 HD3 ARG A 71 108.135 -22.960 6.567 1.00 0.46 H new ATOM 0 HE ARG A 71 105.802 -24.384 6.105 1.00 0.76 H new ATOM 0 HH11 ARG A 71 109.174 -25.473 6.483 1.00 0.94 H new ATOM 0 HH12 ARG A 71 108.670 -27.052 7.093 1.00 0.94 H new ATOM 0 HH21 ARG A 71 105.267 -26.376 6.876 1.00 1.47 H new ATOM 0 HH22 ARG A 71 106.516 -27.548 7.310 1.00 1.47 H new ATOM 1192 N PHE A 72 107.698 -18.302 3.232 1.00 0.29 N ATOM 1193 CA PHE A 72 108.491 -17.078 2.907 1.00 0.28 C ATOM 1194 C PHE A 72 108.943 -16.392 4.199 1.00 0.25 C ATOM 1195 O PHE A 72 108.223 -16.393 5.183 1.00 0.24 O ATOM 1196 CB PHE A 72 107.532 -16.184 2.123 1.00 0.25 C ATOM 1197 CG PHE A 72 107.089 -16.786 0.810 1.00 0.29 C ATOM 1198 CD1 PHE A 72 106.035 -17.750 0.786 1.00 0.30 C ATOM 1199 CD2 PHE A 72 107.729 -16.395 -0.407 1.00 0.34 C ATOM 1200 CE1 PHE A 72 105.618 -18.323 -0.456 1.00 0.34 C ATOM 1201 CE2 PHE A 72 107.313 -16.967 -1.649 1.00 0.38 C ATOM 1202 CZ PHE A 72 106.257 -17.931 -1.673 1.00 0.38 C ATOM 0 H PHE A 72 106.883 -18.133 3.821 1.00 0.29 H new ATOM 0 HA PHE A 72 109.392 -17.301 2.335 1.00 0.28 H new ATOM 0 HB2 PHE A 72 106.654 -15.981 2.736 1.00 0.25 H new ATOM 0 HB3 PHE A 72 108.015 -15.226 1.930 1.00 0.25 H new ATOM 0 HD1 PHE A 72 105.553 -18.046 1.706 1.00 0.30 H new ATOM 0 HD2 PHE A 72 108.527 -15.667 -0.388 1.00 0.34 H new ATOM 0 HE1 PHE A 72 104.821 -19.051 -0.474 1.00 0.34 H new ATOM 0 HE2 PHE A 72 107.796 -16.671 -2.569 1.00 0.38 H new ATOM 0 HZ PHE A 72 105.942 -18.363 -2.611 1.00 0.38 H new ATOM 1212 N PHE A 73 110.118 -15.807 4.187 1.00 0.26 N ATOM 1213 CA PHE A 73 110.758 -15.335 5.456 1.00 0.25 C ATOM 1214 C PHE A 73 110.293 -13.917 5.798 1.00 0.22 C ATOM 1215 O PHE A 73 109.923 -13.154 4.923 1.00 0.22 O ATOM 1216 CB PHE A 73 112.266 -15.357 5.194 1.00 0.27 C ATOM 1217 CG PHE A 73 112.814 -16.741 4.940 1.00 0.30 C ATOM 1218 CD1 PHE A 73 113.179 -17.579 6.039 1.00 0.33 C ATOM 1219 CD2 PHE A 73 112.968 -17.213 3.599 1.00 0.33 C ATOM 1220 CE1 PHE A 73 113.698 -18.889 5.796 1.00 0.37 C ATOM 1221 CE2 PHE A 73 113.487 -18.523 3.357 1.00 0.37 C ATOM 1222 CZ PHE A 73 113.851 -19.361 4.456 1.00 0.38 C ATOM 0 H PHE A 73 110.666 -15.635 3.344 1.00 0.26 H new ATOM 0 HA PHE A 73 110.488 -15.969 6.301 1.00 0.25 H new ATOM 0 HB2 PHE A 73 112.486 -14.724 4.334 1.00 0.27 H new ATOM 0 HB3 PHE A 73 112.782 -14.922 6.050 1.00 0.27 H new ATOM 0 HD1 PHE A 73 113.063 -17.223 7.052 1.00 0.33 H new ATOM 0 HD2 PHE A 73 112.692 -16.580 2.769 1.00 0.33 H new ATOM 0 HE1 PHE A 73 113.975 -19.522 6.626 1.00 0.37 H new ATOM 0 HE2 PHE A 73 113.604 -18.879 2.344 1.00 0.37 H new ATOM 0 HZ PHE A 73 114.242 -20.351 4.274 1.00 0.38 H new ATOM 1232 N GLY A 74 110.317 -13.574 7.067 1.00 0.21 N ATOM 1233 CA GLY A 74 109.828 -12.240 7.526 1.00 0.20 C ATOM 1234 C GLY A 74 110.762 -11.139 7.021 1.00 0.18 C ATOM 1235 O GLY A 74 111.911 -11.393 6.699 1.00 0.20 O ATOM 0 H GLY A 74 110.662 -14.177 7.814 1.00 0.21 H new ATOM 0 HA2 GLY A 74 108.817 -12.068 7.158 1.00 0.20 H new ATOM 0 HA3 GLY A 74 109.779 -12.216 8.615 1.00 0.20 H new ATOM 1239 N VAL A 75 110.269 -9.923 6.957 1.00 0.18 N ATOM 1240 CA VAL A 75 111.060 -8.797 6.366 1.00 0.19 C ATOM 1241 C VAL A 75 110.850 -7.511 7.173 1.00 0.16 C ATOM 1242 O VAL A 75 109.874 -7.383 7.889 1.00 0.16 O ATOM 1243 CB VAL A 75 110.570 -8.629 4.917 1.00 0.24 C ATOM 1244 CG1 VAL A 75 110.888 -9.894 4.117 1.00 0.27 C ATOM 1245 CG2 VAL A 75 109.057 -8.369 4.862 1.00 0.26 C ATOM 0 H VAL A 75 109.342 -9.661 7.293 1.00 0.18 H new ATOM 0 HA VAL A 75 112.129 -9.010 6.388 1.00 0.19 H new ATOM 0 HB VAL A 75 111.084 -7.769 4.487 1.00 0.24 H new ATOM 0 HG11 VAL A 75 110.540 -9.773 3.091 1.00 0.27 H new ATOM 0 HG12 VAL A 75 111.965 -10.064 4.117 1.00 0.27 H new ATOM 0 HG13 VAL A 75 110.386 -10.748 4.572 1.00 0.27 H new ATOM 0 HG21 VAL A 75 108.745 -8.255 3.824 1.00 0.26 H new ATOM 0 HG22 VAL A 75 108.527 -9.209 5.310 1.00 0.26 H new ATOM 0 HG23 VAL A 75 108.824 -7.458 5.413 1.00 0.26 H new ATOM 1255 N LYS A 76 111.763 -6.575 7.054 1.00 0.16 N ATOM 1256 CA LYS A 76 111.621 -5.257 7.746 1.00 0.14 C ATOM 1257 C LYS A 76 111.543 -4.134 6.707 1.00 0.12 C ATOM 1258 O LYS A 76 112.292 -4.134 5.745 1.00 0.13 O ATOM 1259 CB LYS A 76 112.885 -5.113 8.598 1.00 0.15 C ATOM 1260 CG LYS A 76 112.892 -6.173 9.702 1.00 0.17 C ATOM 1261 CD LYS A 76 114.127 -5.982 10.585 1.00 0.18 C ATOM 1262 CE LYS A 76 114.183 -7.096 11.632 1.00 0.93 C ATOM 1263 NZ LYS A 76 115.326 -6.734 12.518 1.00 0.96 N ATOM 0 H LYS A 76 112.612 -6.672 6.498 1.00 0.16 H new ATOM 0 HA LYS A 76 110.718 -5.201 8.353 1.00 0.14 H new ATOM 0 HB2 LYS A 76 113.771 -5.222 7.972 1.00 0.15 H new ATOM 0 HB3 LYS A 76 112.926 -4.117 9.038 1.00 0.15 H new ATOM 0 HG2 LYS A 76 111.986 -6.093 10.303 1.00 0.17 H new ATOM 0 HG3 LYS A 76 112.896 -7.171 9.263 1.00 0.17 H new ATOM 0 HD2 LYS A 76 115.030 -5.997 9.974 1.00 0.18 H new ATOM 0 HD3 LYS A 76 114.090 -5.009 11.075 1.00 0.18 H new ATOM 0 HE2 LYS A 76 113.251 -7.157 12.194 1.00 0.93 H new ATOM 0 HE3 LYS A 76 114.338 -8.069 11.166 1.00 0.93 H new ATOM 0 HZ1 LYS A 76 115.603 -7.562 13.084 1.00 0.96 H new ATOM 0 HZ2 LYS A 76 116.132 -6.427 11.937 1.00 0.96 H new ATOM 0 HZ3 LYS A 76 115.042 -5.960 13.152 1.00 0.96 H new ATOM 1277 N VAL A 77 110.650 -3.191 6.903 1.00 0.10 N ATOM 1278 CA VAL A 77 110.436 -2.105 5.892 1.00 0.09 C ATOM 1279 C VAL A 77 110.371 -0.749 6.608 1.00 0.09 C ATOM 1280 O VAL A 77 109.811 -0.648 7.684 1.00 0.09 O ATOM 1281 CB VAL A 77 109.102 -2.435 5.195 1.00 0.10 C ATOM 1282 CG1 VAL A 77 108.792 -1.398 4.109 1.00 0.10 C ATOM 1283 CG2 VAL A 77 109.172 -3.814 4.526 1.00 0.12 C ATOM 0 H VAL A 77 110.055 -3.127 7.729 1.00 0.10 H new ATOM 0 HA VAL A 77 111.245 -2.047 5.164 1.00 0.09 H new ATOM 0 HB VAL A 77 108.322 -2.426 5.956 1.00 0.10 H new ATOM 0 HG11 VAL A 77 107.846 -1.647 3.627 1.00 0.10 H new ATOM 0 HG12 VAL A 77 108.720 -0.409 4.561 1.00 0.10 H new ATOM 0 HG13 VAL A 77 109.589 -1.400 3.366 1.00 0.10 H new ATOM 0 HG21 VAL A 77 108.221 -4.031 4.039 1.00 0.12 H new ATOM 0 HG22 VAL A 77 109.970 -3.818 3.783 1.00 0.12 H new ATOM 0 HG23 VAL A 77 109.375 -4.574 5.280 1.00 0.12 H new ATOM 1293 N LEU A 78 110.940 0.275 6.013 1.00 0.09 N ATOM 1294 CA LEU A 78 110.883 1.646 6.609 1.00 0.09 C ATOM 1295 C LEU A 78 110.596 2.690 5.510 1.00 0.09 C ATOM 1296 O LEU A 78 111.321 2.723 4.534 1.00 0.09 O ATOM 1297 CB LEU A 78 112.278 1.848 7.210 1.00 0.11 C ATOM 1298 CG LEU A 78 112.366 3.184 7.957 1.00 0.12 C ATOM 1299 CD1 LEU A 78 111.488 3.151 9.211 1.00 0.13 C ATOM 1300 CD2 LEU A 78 113.817 3.420 8.376 1.00 0.14 C ATOM 0 H LEU A 78 111.447 0.216 5.130 1.00 0.09 H new ATOM 0 HA LEU A 78 110.094 1.758 7.353 1.00 0.09 H new ATOM 0 HB2 LEU A 78 112.506 1.030 7.893 1.00 0.11 H new ATOM 0 HB3 LEU A 78 113.027 1.820 6.418 1.00 0.11 H new ATOM 0 HG LEU A 78 112.021 3.983 7.301 1.00 0.12 H new ATOM 0 HD11 LEU A 78 111.561 4.106 9.731 1.00 0.13 H new ATOM 0 HD12 LEU A 78 110.452 2.971 8.925 1.00 0.13 H new ATOM 0 HD13 LEU A 78 111.826 2.352 9.871 1.00 0.13 H new ATOM 0 HD21 LEU A 78 113.892 4.368 8.909 1.00 0.14 H new ATOM 0 HD22 LEU A 78 114.144 2.610 9.028 1.00 0.14 H new ATOM 0 HD23 LEU A 78 114.451 3.450 7.490 1.00 0.14 H new ATOM 1312 N PRO A 79 109.564 3.510 5.673 1.00 0.09 N ATOM 1313 CA PRO A 79 109.256 4.576 4.663 1.00 0.08 C ATOM 1314 C PRO A 79 110.395 5.599 4.561 1.00 0.08 C ATOM 1315 O PRO A 79 111.094 5.849 5.526 1.00 0.09 O ATOM 1316 CB PRO A 79 107.991 5.237 5.218 1.00 0.09 C ATOM 1317 CG PRO A 79 107.396 4.187 6.087 1.00 0.10 C ATOM 1318 CD PRO A 79 108.569 3.552 6.766 1.00 0.09 C ATOM 0 HA PRO A 79 109.130 4.174 3.658 1.00 0.08 H new ATOM 0 HB2 PRO A 79 108.226 6.139 5.783 1.00 0.09 H new ATOM 0 HB3 PRO A 79 107.309 5.530 4.420 1.00 0.09 H new ATOM 0 HG2 PRO A 79 106.703 4.617 6.811 1.00 0.10 H new ATOM 0 HG3 PRO A 79 106.834 3.459 5.502 1.00 0.10 H new ATOM 0 HD2 PRO A 79 108.918 4.140 7.615 1.00 0.09 H new ATOM 0 HD3 PRO A 79 108.334 2.557 7.143 1.00 0.09 H new ATOM 1326 N ILE A 80 110.573 6.182 3.395 1.00 0.08 N ATOM 1327 CA ILE A 80 111.524 7.329 3.233 1.00 0.08 C ATOM 1328 C ILE A 80 110.944 8.369 2.267 1.00 0.08 C ATOM 1329 O ILE A 80 109.947 8.122 1.612 1.00 0.08 O ATOM 1330 CB ILE A 80 112.837 6.741 2.683 1.00 0.07 C ATOM 1331 CG1 ILE A 80 112.606 6.024 1.340 1.00 0.07 C ATOM 1332 CG2 ILE A 80 113.425 5.754 3.697 1.00 0.07 C ATOM 1333 CD1 ILE A 80 113.949 5.688 0.686 1.00 0.07 C ATOM 0 H ILE A 80 110.092 5.906 2.539 1.00 0.08 H new ATOM 0 HA ILE A 80 111.697 7.835 4.183 1.00 0.08 H new ATOM 0 HB ILE A 80 113.535 7.562 2.518 1.00 0.07 H new ATOM 0 HG12 ILE A 80 112.032 5.111 1.500 1.00 0.07 H new ATOM 0 HG13 ILE A 80 112.018 6.658 0.677 1.00 0.07 H new ATOM 0 HG21 ILE A 80 114.354 5.340 3.305 1.00 0.07 H new ATOM 0 HG22 ILE A 80 113.626 6.272 4.635 1.00 0.07 H new ATOM 0 HG23 ILE A 80 112.714 4.947 3.874 1.00 0.07 H new ATOM 0 HD11 ILE A 80 113.775 5.181 -0.263 1.00 0.07 H new ATOM 0 HD12 ILE A 80 114.508 6.607 0.509 1.00 0.07 H new ATOM 0 HD13 ILE A 80 114.522 5.036 1.346 1.00 0.07 H new ATOM 1345 N LYS A 81 111.570 9.519 2.183 1.00 0.08 N ATOM 1346 CA LYS A 81 111.252 10.496 1.097 1.00 0.09 C ATOM 1347 C LYS A 81 112.475 10.654 0.191 1.00 0.08 C ATOM 1348 O LYS A 81 113.574 10.863 0.672 1.00 0.07 O ATOM 1349 CB LYS A 81 110.937 11.813 1.812 1.00 0.10 C ATOM 1350 CG LYS A 81 109.663 11.664 2.646 1.00 0.12 C ATOM 1351 CD LYS A 81 108.445 11.629 1.721 1.00 0.14 C ATOM 1352 CE LYS A 81 107.162 11.685 2.556 1.00 0.19 C ATOM 1353 NZ LYS A 81 106.160 12.353 1.679 1.00 1.42 N ATOM 0 H LYS A 81 112.297 9.824 2.830 1.00 0.08 H new ATOM 0 HA LYS A 81 110.417 10.175 0.474 1.00 0.09 H new ATOM 0 HB2 LYS A 81 111.771 12.096 2.454 1.00 0.10 H new ATOM 0 HB3 LYS A 81 110.812 12.612 1.081 1.00 0.10 H new ATOM 0 HG2 LYS A 81 109.709 10.750 3.238 1.00 0.12 H new ATOM 0 HG3 LYS A 81 109.576 12.494 3.347 1.00 0.12 H new ATOM 0 HD2 LYS A 81 108.477 12.471 1.029 1.00 0.14 H new ATOM 0 HD3 LYS A 81 108.459 10.721 1.119 1.00 0.14 H new ATOM 0 HE2 LYS A 81 106.833 10.686 2.841 1.00 0.19 H new ATOM 0 HE3 LYS A 81 107.315 12.246 3.478 1.00 0.19 H new ATOM 0 HZ1 LYS A 81 105.338 12.642 2.248 1.00 1.42 H new ATOM 0 HZ2 LYS A 81 106.588 13.192 1.239 1.00 1.42 H new ATOM 0 HZ3 LYS A 81 105.853 11.692 0.937 1.00 1.42 H new ATOM 1367 N ILE A 82 112.287 10.556 -1.105 1.00 0.08 N ATOM 1368 CA ILE A 82 113.441 10.574 -2.059 1.00 0.08 C ATOM 1369 C ILE A 82 113.477 11.934 -2.767 1.00 0.08 C ATOM 1370 O ILE A 82 112.503 12.335 -3.378 1.00 0.09 O ATOM 1371 CB ILE A 82 113.186 9.425 -3.055 1.00 0.09 C ATOM 1372 CG1 ILE A 82 113.109 8.082 -2.315 1.00 0.09 C ATOM 1373 CG2 ILE A 82 114.326 9.341 -4.078 1.00 0.10 C ATOM 1374 CD1 ILE A 82 112.500 7.022 -3.236 1.00 0.11 C ATOM 0 H ILE A 82 111.372 10.463 -1.546 1.00 0.08 H new ATOM 0 HA ILE A 82 114.402 10.438 -1.563 1.00 0.08 H new ATOM 0 HB ILE A 82 112.242 9.628 -3.562 1.00 0.09 H new ATOM 0 HG12 ILE A 82 114.105 7.773 -1.997 1.00 0.09 H new ATOM 0 HG13 ILE A 82 112.504 8.186 -1.414 1.00 0.09 H new ATOM 0 HG21 ILE A 82 114.131 8.525 -4.774 1.00 0.10 H new ATOM 0 HG22 ILE A 82 114.391 10.280 -4.628 1.00 0.10 H new ATOM 0 HG23 ILE A 82 115.267 9.159 -3.560 1.00 0.10 H new ATOM 0 HD11 ILE A 82 112.446 6.069 -2.709 1.00 0.11 H new ATOM 0 HD12 ILE A 82 111.497 7.330 -3.532 1.00 0.11 H new ATOM 0 HD13 ILE A 82 113.122 6.911 -4.124 1.00 0.11 H new ATOM 1386 N LEU A 83 114.590 12.626 -2.680 1.00 0.09 N ATOM 1387 CA LEU A 83 114.712 13.980 -3.299 1.00 0.10 C ATOM 1388 C LEU A 83 115.629 13.923 -4.524 1.00 0.10 C ATOM 1389 O LEU A 83 116.803 13.616 -4.405 1.00 0.11 O ATOM 1390 CB LEU A 83 115.327 14.868 -2.212 1.00 0.11 C ATOM 1391 CG LEU A 83 114.355 15.012 -1.038 1.00 0.12 C ATOM 1392 CD1 LEU A 83 115.077 15.667 0.142 1.00 0.15 C ATOM 1393 CD2 LEU A 83 113.171 15.888 -1.454 1.00 0.12 C ATOM 0 H LEU A 83 115.429 12.302 -2.199 1.00 0.09 H new ATOM 0 HA LEU A 83 113.749 14.362 -3.638 1.00 0.10 H new ATOM 0 HB2 LEU A 83 116.266 14.435 -1.866 1.00 0.11 H new ATOM 0 HB3 LEU A 83 115.561 15.850 -2.623 1.00 0.11 H new ATOM 0 HG LEU A 83 113.993 14.026 -0.747 1.00 0.12 H new ATOM 0 HD11 LEU A 83 114.386 15.770 0.979 1.00 0.15 H new ATOM 0 HD12 LEU A 83 115.921 15.046 0.442 1.00 0.15 H new ATOM 0 HD13 LEU A 83 115.439 16.652 -0.154 1.00 0.15 H new ATOM 0 HD21 LEU A 83 112.481 15.989 -0.616 1.00 0.12 H new ATOM 0 HD22 LEU A 83 113.533 16.874 -1.747 1.00 0.12 H new ATOM 0 HD23 LEU A 83 112.655 15.426 -2.296 1.00 0.12 H new ATOM 1405 N ILE A 84 115.094 14.217 -5.687 1.00 0.11 N ATOM 1406 CA ILE A 84 115.921 14.272 -6.934 1.00 0.12 C ATOM 1407 C ILE A 84 115.627 15.598 -7.645 1.00 0.13 C ATOM 1408 O ILE A 84 114.491 15.882 -7.979 1.00 0.13 O ATOM 1409 CB ILE A 84 115.487 13.063 -7.786 1.00 0.12 C ATOM 1410 CG1 ILE A 84 115.744 11.755 -7.025 1.00 0.11 C ATOM 1411 CG2 ILE A 84 116.286 13.021 -9.096 1.00 0.13 C ATOM 1412 CD1 ILE A 84 115.004 10.603 -7.709 1.00 0.12 C ATOM 0 H ILE A 84 114.105 14.424 -5.825 1.00 0.11 H new ATOM 0 HA ILE A 84 116.993 14.226 -6.742 1.00 0.12 H new ATOM 0 HB ILE A 84 114.423 13.167 -8.000 1.00 0.12 H new ATOM 0 HG12 ILE A 84 116.813 11.545 -6.995 1.00 0.11 H new ATOM 0 HG13 ILE A 84 115.409 11.852 -5.992 1.00 0.11 H new ATOM 0 HG21 ILE A 84 115.969 12.162 -9.688 1.00 0.13 H new ATOM 0 HG22 ILE A 84 116.108 13.936 -9.660 1.00 0.13 H new ATOM 0 HG23 ILE A 84 117.349 12.935 -8.871 1.00 0.13 H new ATOM 0 HD11 ILE A 84 115.190 9.677 -7.165 1.00 0.12 H new ATOM 0 HD12 ILE A 84 113.934 10.811 -7.716 1.00 0.12 H new ATOM 0 HD13 ILE A 84 115.360 10.499 -8.734 1.00 0.12 H new ATOM 1424 N GLY A 85 116.642 16.404 -7.868 1.00 0.14 N ATOM 1425 CA GLY A 85 116.450 17.739 -8.516 1.00 0.15 C ATOM 1426 C GLY A 85 115.604 18.642 -7.609 1.00 0.15 C ATOM 1427 O GLY A 85 115.984 18.921 -6.486 1.00 0.16 O ATOM 0 H GLY A 85 117.608 16.187 -7.624 1.00 0.14 H new ATOM 0 HA2 GLY A 85 117.418 18.203 -8.706 1.00 0.15 H new ATOM 0 HA3 GLY A 85 115.960 17.617 -9.482 1.00 0.15 H new ATOM 1431 N ASN A 86 114.471 19.092 -8.101 1.00 0.15 N ATOM 1432 CA ASN A 86 113.532 19.904 -7.266 1.00 0.16 C ATOM 1433 C ASN A 86 112.237 19.137 -6.952 1.00 0.15 C ATOM 1434 O ASN A 86 111.256 19.745 -6.560 1.00 0.16 O ATOM 1435 CB ASN A 86 113.221 21.138 -8.116 1.00 0.18 C ATOM 1436 CG ASN A 86 114.475 22.005 -8.243 1.00 1.23 C ATOM 1437 OD1 ASN A 86 115.228 22.148 -7.300 1.00 2.03 O ATOM 1438 ND2 ASN A 86 114.734 22.594 -9.379 1.00 2.00 N ATOM 0 H ASN A 86 114.156 18.928 -9.057 1.00 0.15 H new ATOM 0 HA ASN A 86 113.975 20.153 -6.302 1.00 0.16 H new ATOM 0 HB2 ASN A 86 112.876 20.834 -9.104 1.00 0.18 H new ATOM 0 HB3 ASN A 86 112.415 21.712 -7.660 1.00 0.18 H new ATOM 0 HD21 ASN A 86 115.568 23.174 -9.474 1.00 2.00 H new ATOM 0 HD22 ASN A 86 114.103 22.474 -10.171 1.00 2.00 H new ATOM 1445 N LYS A 87 112.224 17.829 -7.115 1.00 0.14 N ATOM 1446 CA LYS A 87 110.967 17.039 -6.933 1.00 0.14 C ATOM 1447 C LYS A 87 111.141 16.003 -5.818 1.00 0.13 C ATOM 1448 O LYS A 87 112.215 15.456 -5.644 1.00 0.12 O ATOM 1449 CB LYS A 87 110.739 16.340 -8.275 1.00 0.14 C ATOM 1450 CG LYS A 87 110.403 17.380 -9.347 1.00 0.16 C ATOM 1451 CD LYS A 87 110.073 16.670 -10.662 1.00 0.71 C ATOM 1452 CE LYS A 87 109.843 17.711 -11.759 1.00 0.70 C ATOM 1453 NZ LYS A 87 109.163 16.967 -12.857 1.00 1.36 N ATOM 0 H LYS A 87 113.042 17.275 -7.369 1.00 0.14 H new ATOM 0 HA LYS A 87 110.126 17.671 -6.650 1.00 0.14 H new ATOM 0 HB2 LYS A 87 111.631 15.783 -8.562 1.00 0.14 H new ATOM 0 HB3 LYS A 87 109.927 15.619 -8.187 1.00 0.14 H new ATOM 0 HG2 LYS A 87 109.556 17.987 -9.027 1.00 0.16 H new ATOM 0 HG3 LYS A 87 111.245 18.057 -9.488 1.00 0.16 H new ATOM 0 HD2 LYS A 87 110.889 16.004 -10.943 1.00 0.71 H new ATOM 0 HD3 LYS A 87 109.184 16.051 -10.541 1.00 0.71 H new ATOM 0 HE2 LYS A 87 109.227 18.535 -11.399 1.00 0.70 H new ATOM 0 HE3 LYS A 87 110.785 18.142 -12.098 1.00 0.70 H new ATOM 0 HZ1 LYS A 87 108.971 17.614 -13.648 1.00 1.36 H new ATOM 0 HZ2 LYS A 87 109.776 16.193 -13.184 1.00 1.36 H new ATOM 0 HZ3 LYS A 87 108.266 16.574 -12.506 1.00 1.36 H new ATOM 1467 N LYS A 88 110.090 15.740 -5.073 1.00 0.13 N ATOM 1468 CA LYS A 88 110.144 14.713 -3.984 1.00 0.11 C ATOM 1469 C LYS A 88 109.067 13.643 -4.209 1.00 0.11 C ATOM 1470 O LYS A 88 107.915 13.961 -4.441 1.00 0.12 O ATOM 1471 CB LYS A 88 109.925 15.472 -2.664 1.00 0.12 C ATOM 1472 CG LYS A 88 108.578 16.209 -2.646 1.00 0.13 C ATOM 1473 CD LYS A 88 108.428 16.962 -1.323 1.00 0.13 C ATOM 1474 CE LYS A 88 108.079 15.973 -0.208 1.00 0.91 C ATOM 1475 NZ LYS A 88 108.249 16.742 1.056 1.00 1.42 N ATOM 0 H LYS A 88 109.186 16.201 -5.176 1.00 0.13 H new ATOM 0 HA LYS A 88 111.100 14.190 -3.967 1.00 0.11 H new ATOM 0 HB2 LYS A 88 109.967 14.771 -1.830 1.00 0.12 H new ATOM 0 HB3 LYS A 88 110.733 16.189 -2.518 1.00 0.12 H new ATOM 0 HG2 LYS A 88 108.521 16.906 -3.482 1.00 0.13 H new ATOM 0 HG3 LYS A 88 107.761 15.498 -2.767 1.00 0.13 H new ATOM 0 HD2 LYS A 88 109.354 17.485 -1.083 1.00 0.13 H new ATOM 0 HD3 LYS A 88 107.648 17.719 -1.410 1.00 0.13 H new ATOM 0 HE2 LYS A 88 107.058 15.605 -0.312 1.00 0.91 H new ATOM 0 HE3 LYS A 88 108.735 15.103 -0.232 1.00 0.91 H new ATOM 0 HZ1 LYS A 88 108.027 16.130 1.867 1.00 1.42 H new ATOM 0 HZ2 LYS A 88 109.232 17.074 1.131 1.00 1.42 H new ATOM 0 HZ3 LYS A 88 107.607 17.560 1.054 1.00 1.42 H new ATOM 1489 N ILE A 89 109.450 12.388 -4.139 1.00 0.11 N ATOM 1490 CA ILE A 89 108.476 11.265 -4.329 1.00 0.11 C ATOM 1491 C ILE A 89 108.566 10.324 -3.119 1.00 0.10 C ATOM 1492 O ILE A 89 109.630 10.152 -2.551 1.00 0.10 O ATOM 1493 CB ILE A 89 108.899 10.554 -5.630 1.00 0.11 C ATOM 1494 CG1 ILE A 89 108.841 11.529 -6.815 1.00 0.12 C ATOM 1495 CG2 ILE A 89 107.957 9.382 -5.930 1.00 0.12 C ATOM 1496 CD1 ILE A 89 109.600 10.939 -8.004 1.00 0.13 C ATOM 0 H ILE A 89 110.409 12.092 -3.956 1.00 0.11 H new ATOM 0 HA ILE A 89 107.443 11.606 -4.404 1.00 0.11 H new ATOM 0 HB ILE A 89 109.917 10.189 -5.494 1.00 0.11 H new ATOM 0 HG12 ILE A 89 107.804 11.720 -7.091 1.00 0.12 H new ATOM 0 HG13 ILE A 89 109.277 12.487 -6.532 1.00 0.12 H new ATOM 0 HG21 ILE A 89 108.269 8.891 -6.852 1.00 0.12 H new ATOM 0 HG22 ILE A 89 107.992 8.667 -5.108 1.00 0.12 H new ATOM 0 HG23 ILE A 89 106.939 9.754 -6.044 1.00 0.12 H new ATOM 0 HD11 ILE A 89 109.557 11.633 -8.844 1.00 0.13 H new ATOM 0 HD12 ILE A 89 110.640 10.771 -7.725 1.00 0.13 H new ATOM 0 HD13 ILE A 89 109.144 9.992 -8.293 1.00 0.13 H new ATOM 1508 N ASP A 90 107.459 9.729 -2.734 1.00 0.10 N ATOM 1509 CA ASP A 90 107.461 8.768 -1.581 1.00 0.10 C ATOM 1510 C ASP A 90 108.121 7.451 -2.001 1.00 0.09 C ATOM 1511 O ASP A 90 107.867 6.951 -3.082 1.00 0.11 O ATOM 1512 CB ASP A 90 105.992 8.529 -1.216 1.00 0.12 C ATOM 1513 CG ASP A 90 105.373 9.829 -0.697 1.00 0.14 C ATOM 1514 OD1 ASP A 90 105.433 10.055 0.500 1.00 0.30 O ATOM 1515 OD2 ASP A 90 104.849 10.577 -1.507 1.00 0.41 O ATOM 0 H ASP A 90 106.548 9.869 -3.172 1.00 0.10 H new ATOM 0 HA ASP A 90 108.019 9.164 -0.733 1.00 0.10 H new ATOM 0 HB2 ASP A 90 105.443 8.176 -2.089 1.00 0.12 H new ATOM 0 HB3 ASP A 90 105.918 7.751 -0.457 1.00 0.12 H new ATOM 1520 N GLY A 91 108.959 6.901 -1.151 1.00 0.09 N ATOM 1521 CA GLY A 91 109.609 5.588 -1.447 1.00 0.10 C ATOM 1522 C GLY A 91 109.781 4.804 -0.144 1.00 0.09 C ATOM 1523 O GLY A 91 109.241 5.183 0.879 1.00 0.09 O ATOM 0 H GLY A 91 109.221 7.313 -0.256 1.00 0.09 H new ATOM 0 HA2 GLY A 91 109.001 5.019 -2.150 1.00 0.10 H new ATOM 0 HA3 GLY A 91 110.578 5.747 -1.920 1.00 0.10 H new ATOM 1527 N ALA A 92 110.528 3.725 -0.187 1.00 0.08 N ATOM 1528 CA ALA A 92 110.762 2.898 1.039 1.00 0.08 C ATOM 1529 C ALA A 92 112.022 2.046 0.868 1.00 0.08 C ATOM 1530 O ALA A 92 112.411 1.735 -0.242 1.00 0.09 O ATOM 1531 CB ALA A 92 109.525 2.008 1.161 1.00 0.10 C ATOM 0 H ALA A 92 110.990 3.380 -1.028 1.00 0.08 H new ATOM 0 HA ALA A 92 110.911 3.511 1.928 1.00 0.08 H new ATOM 0 HB1 ALA A 92 109.621 1.370 2.039 1.00 0.10 H new ATOM 0 HB2 ALA A 92 108.637 2.632 1.261 1.00 0.10 H new ATOM 0 HB3 ALA A 92 109.434 1.387 0.270 1.00 0.10 H new ATOM 1537 N ILE A 93 112.648 1.676 1.963 1.00 0.08 N ATOM 1538 CA ILE A 93 113.855 0.793 1.904 1.00 0.09 C ATOM 1539 C ILE A 93 113.465 -0.592 2.437 1.00 0.10 C ATOM 1540 O ILE A 93 112.717 -0.694 3.394 1.00 0.10 O ATOM 1541 CB ILE A 93 114.920 1.449 2.807 1.00 0.09 C ATOM 1542 CG1 ILE A 93 115.237 2.872 2.331 1.00 0.09 C ATOM 1543 CG2 ILE A 93 116.217 0.632 2.772 1.00 0.10 C ATOM 1544 CD1 ILE A 93 116.004 3.620 3.426 1.00 0.09 C ATOM 0 H ILE A 93 112.369 1.953 2.904 1.00 0.08 H new ATOM 0 HA ILE A 93 114.241 0.676 0.891 1.00 0.09 H new ATOM 0 HB ILE A 93 114.520 1.482 3.821 1.00 0.09 H new ATOM 0 HG12 ILE A 93 115.829 2.837 1.417 1.00 0.09 H new ATOM 0 HG13 ILE A 93 114.314 3.401 2.093 1.00 0.09 H new ATOM 0 HG21 ILE A 93 116.962 1.104 3.413 1.00 0.10 H new ATOM 0 HG22 ILE A 93 116.020 -0.379 3.129 1.00 0.10 H new ATOM 0 HG23 ILE A 93 116.593 0.589 1.750 1.00 0.10 H new ATOM 0 HD11 ILE A 93 116.229 4.631 3.087 1.00 0.09 H new ATOM 0 HD12 ILE A 93 115.395 3.667 4.329 1.00 0.09 H new ATOM 0 HD13 ILE A 93 116.934 3.095 3.642 1.00 0.09 H new ATOM 1556 N VAL A 94 113.970 -1.637 1.821 1.00 0.10 N ATOM 1557 CA VAL A 94 113.562 -3.029 2.197 1.00 0.12 C ATOM 1558 C VAL A 94 114.810 -3.842 2.568 1.00 0.12 C ATOM 1559 O VAL A 94 115.792 -3.836 1.848 1.00 0.11 O ATOM 1560 CB VAL A 94 112.859 -3.613 0.955 1.00 0.13 C ATOM 1561 CG1 VAL A 94 112.367 -5.038 1.238 1.00 0.15 C ATOM 1562 CG2 VAL A 94 111.643 -2.758 0.576 1.00 0.15 C ATOM 0 H VAL A 94 114.654 -1.583 1.066 1.00 0.10 H new ATOM 0 HA VAL A 94 112.896 -3.051 3.059 1.00 0.12 H new ATOM 0 HB VAL A 94 113.581 -3.621 0.139 1.00 0.13 H new ATOM 0 HG11 VAL A 94 111.873 -5.435 0.351 1.00 0.15 H new ATOM 0 HG12 VAL A 94 113.216 -5.672 1.495 1.00 0.15 H new ATOM 0 HG13 VAL A 94 111.662 -5.021 2.069 1.00 0.15 H new ATOM 0 HG21 VAL A 94 111.158 -3.184 -0.302 1.00 0.15 H new ATOM 0 HG22 VAL A 94 110.938 -2.740 1.407 1.00 0.15 H new ATOM 0 HG23 VAL A 94 111.968 -1.742 0.354 1.00 0.15 H new ATOM 1572 N VAL A 95 114.761 -4.531 3.685 1.00 0.14 N ATOM 1573 CA VAL A 95 115.882 -5.437 4.092 1.00 0.15 C ATOM 1574 C VAL A 95 115.282 -6.685 4.772 1.00 0.16 C ATOM 1575 O VAL A 95 114.352 -6.541 5.541 1.00 0.18 O ATOM 1576 CB VAL A 95 116.745 -4.621 5.075 1.00 0.17 C ATOM 1577 CG1 VAL A 95 117.936 -5.455 5.560 1.00 0.20 C ATOM 1578 CG2 VAL A 95 117.293 -3.365 4.386 1.00 0.18 C ATOM 0 H VAL A 95 113.980 -4.503 4.340 1.00 0.14 H new ATOM 0 HA VAL A 95 116.485 -5.777 3.250 1.00 0.15 H new ATOM 0 HB VAL A 95 116.115 -4.342 5.920 1.00 0.17 H new ATOM 0 HG11 VAL A 95 118.535 -4.865 6.253 1.00 0.20 H new ATOM 0 HG12 VAL A 95 117.572 -6.349 6.066 1.00 0.20 H new ATOM 0 HG13 VAL A 95 118.549 -5.745 4.706 1.00 0.20 H new ATOM 0 HG21 VAL A 95 117.900 -2.798 5.092 1.00 0.18 H new ATOM 0 HG22 VAL A 95 117.905 -3.656 3.532 1.00 0.18 H new ATOM 0 HG23 VAL A 95 116.463 -2.747 4.043 1.00 0.18 H new ATOM 1588 N PRO A 96 115.806 -7.869 4.485 1.00 0.17 N ATOM 1589 CA PRO A 96 115.302 -9.122 5.146 1.00 0.18 C ATOM 1590 C PRO A 96 115.387 -9.037 6.679 1.00 0.20 C ATOM 1591 O PRO A 96 116.187 -8.290 7.213 1.00 0.23 O ATOM 1592 CB PRO A 96 116.252 -10.200 4.619 1.00 0.23 C ATOM 1593 CG PRO A 96 116.697 -9.663 3.306 1.00 0.24 C ATOM 1594 CD PRO A 96 116.890 -8.194 3.533 1.00 0.20 C ATOM 0 HA PRO A 96 114.252 -9.313 4.925 1.00 0.18 H new ATOM 0 HB2 PRO A 96 117.093 -10.357 5.294 1.00 0.23 H new ATOM 0 HB3 PRO A 96 115.748 -11.160 4.509 1.00 0.23 H new ATOM 0 HG2 PRO A 96 117.623 -10.137 2.979 1.00 0.24 H new ATOM 0 HG3 PRO A 96 115.953 -9.848 2.531 1.00 0.24 H new ATOM 0 HD2 PRO A 96 117.873 -7.974 3.948 1.00 0.20 H new ATOM 0 HD3 PRO A 96 116.800 -7.626 2.607 1.00 0.20 H new ATOM 1602 N LYS A 97 114.565 -9.798 7.368 1.00 0.22 N ATOM 1603 CA LYS A 97 114.557 -9.772 8.871 1.00 0.29 C ATOM 1604 C LYS A 97 115.893 -10.277 9.429 1.00 0.34 C ATOM 1605 O LYS A 97 116.351 -9.804 10.454 1.00 0.39 O ATOM 1606 CB LYS A 97 113.417 -10.699 9.311 1.00 0.33 C ATOM 1607 CG LYS A 97 113.166 -10.534 10.812 1.00 0.57 C ATOM 1608 CD LYS A 97 112.111 -11.545 11.267 1.00 0.57 C ATOM 1609 CE LYS A 97 111.789 -11.316 12.745 1.00 0.93 C ATOM 1610 NZ LYS A 97 110.812 -12.385 13.095 1.00 1.19 N ATOM 0 H LYS A 97 113.893 -10.442 6.950 1.00 0.22 H new ATOM 0 HA LYS A 97 114.415 -8.758 9.243 1.00 0.29 H new ATOM 0 HB2 LYS A 97 112.510 -10.466 8.753 1.00 0.33 H new ATOM 0 HB3 LYS A 97 113.671 -11.735 9.087 1.00 0.33 H new ATOM 0 HG2 LYS A 97 114.093 -10.686 11.365 1.00 0.57 H new ATOM 0 HG3 LYS A 97 112.829 -9.520 11.026 1.00 0.57 H new ATOM 0 HD2 LYS A 97 111.208 -11.439 10.666 1.00 0.57 H new ATOM 0 HD3 LYS A 97 112.477 -12.561 11.117 1.00 0.57 H new ATOM 0 HE2 LYS A 97 112.686 -11.384 13.360 1.00 0.93 H new ATOM 0 HE3 LYS A 97 111.365 -10.325 12.908 1.00 0.93 H new ATOM 0 HZ1 LYS A 97 110.542 -12.295 14.095 1.00 1.19 H new ATOM 0 HZ2 LYS A 97 109.966 -12.291 12.498 1.00 1.19 H new ATOM 0 HZ3 LYS A 97 111.245 -13.317 12.936 1.00 1.19 H new ATOM 1624 N LYS A 98 116.507 -11.226 8.757 1.00 0.34 N ATOM 1625 CA LYS A 98 117.790 -11.819 9.256 1.00 0.41 C ATOM 1626 C LYS A 98 118.983 -11.005 8.748 1.00 0.39 C ATOM 1627 O LYS A 98 119.217 -10.927 7.554 1.00 0.39 O ATOM 1628 CB LYS A 98 117.835 -13.242 8.695 1.00 0.48 C ATOM 1629 CG LYS A 98 118.937 -14.035 9.400 1.00 1.20 C ATOM 1630 CD LYS A 98 119.206 -15.331 8.631 1.00 1.20 C ATOM 1631 CE LYS A 98 118.046 -16.305 8.847 1.00 2.26 C ATOM 1632 NZ LYS A 98 118.240 -17.366 7.820 1.00 2.67 N ATOM 0 H LYS A 98 116.170 -11.617 7.877 1.00 0.34 H new ATOM 0 HA LYS A 98 117.840 -11.816 10.345 1.00 0.41 H new ATOM 0 HB2 LYS A 98 116.872 -13.731 8.839 1.00 0.48 H new ATOM 0 HB3 LYS A 98 118.022 -13.215 7.621 1.00 0.48 H new ATOM 0 HG2 LYS A 98 119.848 -13.439 9.459 1.00 1.20 H new ATOM 0 HG3 LYS A 98 118.638 -14.262 10.423 1.00 1.20 H new ATOM 0 HD2 LYS A 98 119.322 -15.118 7.568 1.00 1.20 H new ATOM 0 HD3 LYS A 98 120.139 -15.780 8.970 1.00 1.20 H new ATOM 0 HE2 LYS A 98 118.063 -16.722 9.854 1.00 2.26 H new ATOM 0 HE3 LYS A 98 117.084 -15.807 8.724 1.00 2.26 H new ATOM 0 HZ1 LYS A 98 117.482 -18.073 7.904 1.00 2.67 H new ATOM 0 HZ2 LYS A 98 118.213 -16.940 6.872 1.00 2.67 H new ATOM 0 HZ3 LYS A 98 119.161 -17.827 7.966 1.00 2.67 H new ATOM 1646 N THR A 99 119.728 -10.407 9.650 1.00 0.41 N ATOM 1647 CA THR A 99 120.936 -9.615 9.262 1.00 0.42 C ATOM 1648 C THR A 99 122.134 -10.032 10.120 1.00 0.46 C ATOM 1649 O THR A 99 122.005 -10.201 11.320 1.00 0.53 O ATOM 1650 CB THR A 99 120.559 -8.158 9.533 1.00 0.43 C ATOM 1651 OG1 THR A 99 119.307 -7.874 8.924 1.00 1.43 O ATOM 1652 CG2 THR A 99 121.631 -7.233 8.954 1.00 1.27 C ATOM 0 H THR A 99 119.545 -10.436 10.653 1.00 0.41 H new ATOM 0 HA THR A 99 121.220 -9.773 8.221 1.00 0.42 H new ATOM 0 HB THR A 99 120.487 -7.996 10.608 1.00 0.43 H new ATOM 0 HG1 THR A 99 119.063 -6.941 9.098 1.00 1.43 H new ATOM 0 HG21 THR A 99 121.360 -6.195 9.148 1.00 1.27 H new ATOM 0 HG22 THR A 99 122.591 -7.451 9.422 1.00 1.27 H new ATOM 0 HG23 THR A 99 121.707 -7.393 7.878 1.00 1.27 H new ATOM 1660 N TYR A 100 123.285 -10.192 9.506 1.00 0.49 N ATOM 1661 CA TYR A 100 124.510 -10.614 10.255 1.00 0.55 C ATOM 1662 C TYR A 100 125.370 -9.394 10.598 1.00 0.47 C ATOM 1663 O TYR A 100 125.700 -9.175 11.750 1.00 0.52 O ATOM 1664 CB TYR A 100 125.259 -11.549 9.304 1.00 0.65 C ATOM 1665 CG TYR A 100 124.482 -12.795 8.947 1.00 1.39 C ATOM 1666 CD1 TYR A 100 124.452 -13.901 9.853 1.00 1.61 C ATOM 1667 CD2 TYR A 100 123.780 -12.868 7.705 1.00 2.46 C ATOM 1668 CE1 TYR A 100 123.717 -15.079 9.516 1.00 2.62 C ATOM 1669 CE2 TYR A 100 123.045 -14.047 7.368 1.00 3.52 C ATOM 1670 CZ TYR A 100 123.013 -15.153 8.273 1.00 3.54 C ATOM 1671 OH TYR A 100 122.304 -16.291 7.948 1.00 4.61 O ATOM 0 H TYR A 100 123.427 -10.046 8.507 1.00 0.49 H new ATOM 0 HA TYR A 100 124.266 -11.104 11.197 1.00 0.55 H new ATOM 0 HB2 TYR A 100 125.501 -11.007 8.390 1.00 0.65 H new ATOM 0 HB3 TYR A 100 126.205 -11.839 9.762 1.00 0.65 H new ATOM 0 HD1 TYR A 100 124.984 -13.846 10.791 1.00 1.61 H new ATOM 0 HD2 TYR A 100 123.805 -12.033 7.021 1.00 2.46 H new ATOM 0 HE1 TYR A 100 123.693 -15.914 10.200 1.00 2.62 H new ATOM 0 HE2 TYR A 100 122.514 -14.102 6.429 1.00 3.52 H new ATOM 0 HH TYR A 100 121.884 -16.175 7.070 1.00 4.61 H new ATOM 1681 N HIS A 101 125.726 -8.613 9.604 1.00 0.40 N ATOM 1682 CA HIS A 101 126.587 -7.411 9.831 1.00 0.37 C ATOM 1683 C HIS A 101 125.985 -6.187 9.135 1.00 0.34 C ATOM 1684 O HIS A 101 124.953 -6.286 8.496 1.00 0.41 O ATOM 1685 CB HIS A 101 127.940 -7.769 9.213 1.00 0.43 C ATOM 1686 CG HIS A 101 128.616 -8.936 9.880 1.00 1.26 C ATOM 1687 ND1 HIS A 101 129.173 -8.841 11.145 1.00 2.06 N ATOM 1688 CD2 HIS A 101 128.832 -10.228 9.471 1.00 2.26 C ATOM 1689 CE1 HIS A 101 129.692 -10.044 11.450 1.00 2.87 C ATOM 1690 NE2 HIS A 101 129.512 -10.927 10.465 1.00 3.00 N ATOM 0 H HIS A 101 125.452 -8.761 8.633 1.00 0.40 H new ATOM 0 HA HIS A 101 126.675 -7.162 10.888 1.00 0.37 H new ATOM 0 HB2 HIS A 101 127.799 -7.997 8.156 1.00 0.43 H new ATOM 0 HB3 HIS A 101 128.596 -6.900 9.267 1.00 0.43 H new ATOM 0 HD2 HIS A 101 128.522 -10.640 8.522 1.00 2.26 H new ATOM 0 HE1 HIS A 101 130.194 -10.268 12.380 1.00 2.87 H new ATOM 0 HE2 HIS A 101 129.808 -11.903 10.445 1.00 3.00 H new ATOM 1698 N SER A 102 126.630 -5.048 9.261 1.00 0.32 N ATOM 1699 CA SER A 102 126.129 -3.798 8.613 1.00 0.30 C ATOM 1700 C SER A 102 126.903 -3.528 7.320 1.00 0.24 C ATOM 1701 O SER A 102 128.068 -3.872 7.213 1.00 0.24 O ATOM 1702 CB SER A 102 126.388 -2.691 9.635 1.00 0.37 C ATOM 1703 OG SER A 102 125.710 -3.000 10.844 1.00 1.21 O ATOM 0 H SER A 102 127.493 -4.934 9.793 1.00 0.32 H new ATOM 0 HA SER A 102 125.075 -3.865 8.344 1.00 0.30 H new ATOM 0 HB2 SER A 102 127.458 -2.594 9.819 1.00 0.37 H new ATOM 0 HB3 SER A 102 126.043 -1.733 9.246 1.00 0.37 H new ATOM 0 HG SER A 102 125.876 -2.293 11.502 1.00 1.21 H new ATOM 1709 N SER A 103 126.259 -2.918 6.350 1.00 0.21 N ATOM 1710 CA SER A 103 126.912 -2.649 5.033 1.00 0.18 C ATOM 1711 C SER A 103 126.621 -1.217 4.576 1.00 0.16 C ATOM 1712 O SER A 103 125.868 -0.503 5.217 1.00 0.15 O ATOM 1713 CB SER A 103 126.286 -3.657 4.069 1.00 0.23 C ATOM 1714 OG SER A 103 126.589 -4.975 4.505 1.00 1.17 O ATOM 0 H SER A 103 125.295 -2.592 6.420 1.00 0.21 H new ATOM 0 HA SER A 103 127.996 -2.749 5.083 1.00 0.18 H new ATOM 0 HB2 SER A 103 125.206 -3.515 4.027 1.00 0.23 H new ATOM 0 HB3 SER A 103 126.668 -3.498 3.060 1.00 0.23 H new ATOM 0 HG SER A 103 126.188 -5.624 3.890 1.00 1.17 H new ATOM 1720 N GLU A 104 127.217 -0.807 3.479 1.00 0.15 N ATOM 1721 CA GLU A 104 126.966 0.558 2.920 1.00 0.13 C ATOM 1722 C GLU A 104 126.123 0.481 1.640 1.00 0.11 C ATOM 1723 O GLU A 104 126.219 1.354 0.796 1.00 0.10 O ATOM 1724 CB GLU A 104 128.359 1.119 2.607 1.00 0.13 C ATOM 1725 CG GLU A 104 128.907 1.870 3.823 1.00 0.15 C ATOM 1726 CD GLU A 104 130.372 2.238 3.579 1.00 0.16 C ATOM 1727 OE1 GLU A 104 131.204 1.348 3.638 1.00 0.89 O ATOM 1728 OE2 GLU A 104 130.636 3.405 3.338 1.00 0.94 O ATOM 0 H GLU A 104 127.876 -1.370 2.941 1.00 0.15 H new ATOM 0 HA GLU A 104 126.412 1.185 3.619 1.00 0.13 H new ATOM 0 HB2 GLU A 104 129.034 0.307 2.336 1.00 0.13 H new ATOM 0 HB3 GLU A 104 128.306 1.789 1.749 1.00 0.13 H new ATOM 0 HG2 GLU A 104 128.320 2.771 4.002 1.00 0.15 H new ATOM 0 HG3 GLU A 104 128.821 1.250 4.716 1.00 0.15 H new ATOM 1735 N ILE A 105 125.310 -0.542 1.494 1.00 0.12 N ATOM 1736 CA ILE A 105 124.441 -0.676 0.281 1.00 0.11 C ATOM 1737 C ILE A 105 122.977 -0.774 0.723 1.00 0.11 C ATOM 1738 O ILE A 105 122.637 -1.594 1.558 1.00 0.12 O ATOM 1739 CB ILE A 105 124.892 -1.968 -0.434 1.00 0.13 C ATOM 1740 CG1 ILE A 105 126.401 -1.942 -0.763 1.00 0.13 C ATOM 1741 CG2 ILE A 105 124.094 -2.166 -1.731 1.00 0.12 C ATOM 1742 CD1 ILE A 105 126.777 -0.744 -1.648 1.00 0.12 C ATOM 0 H ILE A 105 125.212 -1.297 2.172 1.00 0.12 H new ATOM 0 HA ILE A 105 124.529 0.180 -0.389 1.00 0.11 H new ATOM 0 HB ILE A 105 124.703 -2.798 0.247 1.00 0.13 H new ATOM 0 HG12 ILE A 105 126.973 -1.902 0.164 1.00 0.13 H new ATOM 0 HG13 ILE A 105 126.678 -2.867 -1.269 1.00 0.13 H new ATOM 0 HG21 ILE A 105 124.423 -3.081 -2.224 1.00 0.12 H new ATOM 0 HG22 ILE A 105 123.032 -2.241 -1.497 1.00 0.12 H new ATOM 0 HG23 ILE A 105 124.260 -1.317 -2.394 1.00 0.12 H new ATOM 0 HD11 ILE A 105 127.847 -0.766 -1.854 1.00 0.12 H new ATOM 0 HD12 ILE A 105 126.225 -0.798 -2.587 1.00 0.12 H new ATOM 0 HD13 ILE A 105 126.526 0.183 -1.132 1.00 0.12 H new ATOM 1754 N ILE A 106 122.125 0.057 0.168 1.00 0.10 N ATOM 1755 CA ILE A 106 120.662 0.005 0.492 1.00 0.10 C ATOM 1756 C ILE A 106 119.842 -0.136 -0.795 1.00 0.09 C ATOM 1757 O ILE A 106 120.195 0.430 -1.816 1.00 0.09 O ATOM 1758 CB ILE A 106 120.327 1.317 1.225 1.00 0.10 C ATOM 1759 CG1 ILE A 106 120.691 2.544 0.374 1.00 0.08 C ATOM 1760 CG2 ILE A 106 121.096 1.378 2.546 1.00 0.11 C ATOM 1761 CD1 ILE A 106 120.037 3.793 0.970 1.00 0.10 C ATOM 0 H ILE A 106 122.385 0.778 -0.505 1.00 0.10 H new ATOM 0 HA ILE A 106 120.421 -0.854 1.119 1.00 0.10 H new ATOM 0 HB ILE A 106 119.253 1.333 1.411 1.00 0.10 H new ATOM 0 HG12 ILE A 106 121.773 2.668 0.341 1.00 0.08 H new ATOM 0 HG13 ILE A 106 120.355 2.400 -0.653 1.00 0.08 H new ATOM 0 HG21 ILE A 106 120.858 2.307 3.063 1.00 0.11 H new ATOM 0 HG22 ILE A 106 120.812 0.532 3.171 1.00 0.11 H new ATOM 0 HG23 ILE A 106 122.167 1.339 2.346 1.00 0.11 H new ATOM 0 HD11 ILE A 106 120.296 4.663 0.366 1.00 0.10 H new ATOM 0 HD12 ILE A 106 118.954 3.667 0.980 1.00 0.10 H new ATOM 0 HD13 ILE A 106 120.395 3.940 1.989 1.00 0.10 H new ATOM 1773 N GLU A 107 118.762 -0.883 -0.744 1.00 0.10 N ATOM 1774 CA GLU A 107 117.880 -1.052 -1.939 1.00 0.10 C ATOM 1775 C GLU A 107 116.506 -0.438 -1.665 1.00 0.09 C ATOM 1776 O GLU A 107 115.897 -0.703 -0.643 1.00 0.10 O ATOM 1777 CB GLU A 107 117.762 -2.563 -2.147 1.00 0.12 C ATOM 1778 CG GLU A 107 118.958 -3.064 -2.958 1.00 0.13 C ATOM 1779 CD GLU A 107 118.828 -4.571 -3.183 1.00 0.62 C ATOM 1780 OE1 GLU A 107 119.018 -5.311 -2.233 1.00 1.36 O ATOM 1781 OE2 GLU A 107 118.540 -4.960 -4.304 1.00 1.09 O ATOM 0 H GLU A 107 118.453 -1.388 0.087 1.00 0.10 H new ATOM 0 HA GLU A 107 118.284 -0.556 -2.822 1.00 0.10 H new ATOM 0 HB2 GLU A 107 117.725 -3.071 -1.183 1.00 0.12 H new ATOM 0 HB3 GLU A 107 116.833 -2.797 -2.667 1.00 0.12 H new ATOM 0 HG2 GLU A 107 119.004 -2.545 -3.916 1.00 0.13 H new ATOM 0 HG3 GLU A 107 119.886 -2.843 -2.431 1.00 0.13 H new ATOM 1788 N ILE A 108 116.025 0.373 -2.579 1.00 0.09 N ATOM 1789 CA ILE A 108 114.757 1.135 -2.355 1.00 0.09 C ATOM 1790 C ILE A 108 113.698 0.673 -3.366 1.00 0.10 C ATOM 1791 O ILE A 108 114.024 0.244 -4.456 1.00 0.11 O ATOM 1792 CB ILE A 108 115.133 2.617 -2.565 1.00 0.09 C ATOM 1793 CG1 ILE A 108 116.172 3.047 -1.521 1.00 0.08 C ATOM 1794 CG2 ILE A 108 113.903 3.522 -2.419 1.00 0.09 C ATOM 1795 CD1 ILE A 108 116.816 4.367 -1.949 1.00 0.09 C ATOM 0 H ILE A 108 116.465 0.540 -3.484 1.00 0.09 H new ATOM 0 HA ILE A 108 114.335 0.977 -1.362 1.00 0.09 H new ATOM 0 HB ILE A 108 115.540 2.716 -3.571 1.00 0.09 H new ATOM 0 HG12 ILE A 108 115.697 3.162 -0.547 1.00 0.08 H new ATOM 0 HG13 ILE A 108 116.935 2.276 -1.414 1.00 0.08 H new ATOM 0 HG21 ILE A 108 114.195 4.561 -2.572 1.00 0.09 H new ATOM 0 HG22 ILE A 108 113.156 3.243 -3.162 1.00 0.09 H new ATOM 0 HG23 ILE A 108 113.483 3.406 -1.420 1.00 0.09 H new ATOM 0 HD11 ILE A 108 117.553 4.670 -1.206 1.00 0.09 H new ATOM 0 HD12 ILE A 108 117.306 4.237 -2.914 1.00 0.09 H new ATOM 0 HD13 ILE A 108 116.048 5.136 -2.033 1.00 0.09 H new ATOM 1807 N ILE A 109 112.443 0.766 -2.993 1.00 0.10 N ATOM 1808 CA ILE A 109 111.324 0.590 -3.975 1.00 0.10 C ATOM 1809 C ILE A 109 110.535 1.899 -4.089 1.00 0.10 C ATOM 1810 O ILE A 109 110.523 2.691 -3.163 1.00 0.09 O ATOM 1811 CB ILE A 109 110.440 -0.552 -3.440 1.00 0.12 C ATOM 1812 CG1 ILE A 109 109.926 -0.252 -2.024 1.00 0.11 C ATOM 1813 CG2 ILE A 109 111.246 -1.852 -3.414 1.00 0.14 C ATOM 1814 CD1 ILE A 109 108.658 -1.067 -1.758 1.00 0.14 C ATOM 0 H ILE A 109 112.143 0.959 -2.037 1.00 0.10 H new ATOM 0 HA ILE A 109 111.691 0.343 -4.971 1.00 0.10 H new ATOM 0 HB ILE A 109 109.581 -0.650 -4.103 1.00 0.12 H new ATOM 0 HG12 ILE A 109 110.691 -0.499 -1.288 1.00 0.11 H new ATOM 0 HG13 ILE A 109 109.716 0.812 -1.920 1.00 0.11 H new ATOM 0 HG21 ILE A 109 110.621 -2.660 -3.035 1.00 0.14 H new ATOM 0 HG22 ILE A 109 111.580 -2.094 -4.423 1.00 0.14 H new ATOM 0 HG23 ILE A 109 112.113 -1.730 -2.765 1.00 0.14 H new ATOM 0 HD11 ILE A 109 108.293 -0.854 -0.753 1.00 0.14 H new ATOM 0 HD12 ILE A 109 107.893 -0.798 -2.486 1.00 0.14 H new ATOM 0 HD13 ILE A 109 108.884 -2.130 -1.845 1.00 0.14 H new ATOM 1826 N ALA A 110 109.889 2.118 -5.212 1.00 0.10 N ATOM 1827 CA ALA A 110 109.145 3.395 -5.442 1.00 0.11 C ATOM 1828 C ALA A 110 107.857 3.124 -6.239 1.00 0.12 C ATOM 1829 O ALA A 110 107.723 2.052 -6.798 1.00 0.12 O ATOM 1830 CB ALA A 110 110.100 4.286 -6.236 1.00 0.13 C ATOM 0 H ALA A 110 109.847 1.456 -5.987 1.00 0.10 H new ATOM 0 HA ALA A 110 108.843 3.868 -4.507 1.00 0.11 H new ATOM 0 HB1 ALA A 110 109.619 5.243 -6.441 1.00 0.13 H new ATOM 0 HB2 ALA A 110 111.008 4.453 -5.657 1.00 0.13 H new ATOM 0 HB3 ALA A 110 110.355 3.799 -7.177 1.00 0.13 H new ATOM 1836 N PRO A 111 106.942 4.084 -6.278 1.00 0.14 N ATOM 1837 CA PRO A 111 105.685 3.923 -7.080 1.00 0.15 C ATOM 1838 C PRO A 111 105.989 3.705 -8.571 1.00 0.15 C ATOM 1839 O PRO A 111 105.250 3.021 -9.257 1.00 0.16 O ATOM 1840 CB PRO A 111 104.961 5.256 -6.870 1.00 0.18 C ATOM 1841 CG PRO A 111 105.491 5.743 -5.568 1.00 0.19 C ATOM 1842 CD PRO A 111 106.949 5.395 -5.596 1.00 0.16 C ATOM 0 HA PRO A 111 105.101 3.056 -6.771 1.00 0.15 H new ATOM 0 HB2 PRO A 111 105.173 5.958 -7.676 1.00 0.18 H new ATOM 0 HB3 PRO A 111 103.880 5.124 -6.838 1.00 0.18 H new ATOM 0 HG2 PRO A 111 105.342 6.817 -5.457 1.00 0.19 H new ATOM 0 HG3 PRO A 111 104.985 5.263 -4.730 1.00 0.19 H new ATOM 0 HD2 PRO A 111 107.534 6.135 -6.142 1.00 0.16 H new ATOM 0 HD3 PRO A 111 107.372 5.331 -4.593 1.00 0.16 H new ATOM 1850 N MET A 112 107.066 4.280 -9.056 1.00 0.15 N ATOM 1851 CA MET A 112 107.429 4.153 -10.502 1.00 0.18 C ATOM 1852 C MET A 112 108.954 4.083 -10.674 1.00 0.18 C ATOM 1853 O MET A 112 109.693 4.367 -9.747 1.00 0.18 O ATOM 1854 CB MET A 112 106.781 5.356 -11.230 1.00 0.22 C ATOM 1855 CG MET A 112 107.540 6.690 -11.072 1.00 0.25 C ATOM 1856 SD MET A 112 107.405 7.335 -9.386 1.00 0.24 S ATOM 1857 CE MET A 112 105.696 7.918 -9.499 1.00 0.29 C ATOM 0 H MET A 112 107.716 4.838 -8.502 1.00 0.15 H new ATOM 0 HA MET A 112 107.053 3.227 -10.938 1.00 0.18 H new ATOM 0 HB2 MET A 112 106.703 5.122 -12.292 1.00 0.22 H new ATOM 0 HB3 MET A 112 105.765 5.485 -10.856 1.00 0.22 H new ATOM 0 HG2 MET A 112 108.590 6.544 -11.324 1.00 0.25 H new ATOM 0 HG3 MET A 112 107.142 7.422 -11.775 1.00 0.25 H new ATOM 0 HE1 MET A 112 105.451 8.501 -8.611 1.00 0.29 H new ATOM 0 HE2 MET A 112 105.582 8.542 -10.386 1.00 0.29 H new ATOM 0 HE3 MET A 112 105.024 7.063 -9.568 1.00 0.29 H new ATOM 1867 N LYS A 113 109.411 3.711 -11.850 1.00 0.23 N ATOM 1868 CA LYS A 113 110.885 3.582 -12.096 1.00 0.23 C ATOM 1869 C LYS A 113 111.530 4.970 -12.149 1.00 0.23 C ATOM 1870 O LYS A 113 111.404 5.681 -13.131 1.00 0.26 O ATOM 1871 CB LYS A 113 111.037 2.867 -13.444 1.00 0.30 C ATOM 1872 CG LYS A 113 112.462 2.323 -13.572 1.00 1.15 C ATOM 1873 CD LYS A 113 112.548 1.390 -14.781 1.00 1.24 C ATOM 1874 CE LYS A 113 112.525 2.217 -16.068 1.00 1.74 C ATOM 1875 NZ LYS A 113 112.828 1.244 -17.154 1.00 2.18 N ATOM 0 H LYS A 113 108.822 3.490 -12.653 1.00 0.23 H new ATOM 0 HA LYS A 113 111.376 3.023 -11.300 1.00 0.23 H new ATOM 0 HB2 LYS A 113 110.317 2.052 -13.520 1.00 0.30 H new ATOM 0 HB3 LYS A 113 110.825 3.557 -14.260 1.00 0.30 H new ATOM 0 HG2 LYS A 113 113.168 3.146 -13.684 1.00 1.15 H new ATOM 0 HG3 LYS A 113 112.740 1.786 -12.665 1.00 1.15 H new ATOM 0 HD2 LYS A 113 113.462 0.799 -14.733 1.00 1.24 H new ATOM 0 HD3 LYS A 113 111.714 0.689 -14.772 1.00 1.24 H new ATOM 0 HE2 LYS A 113 111.553 2.687 -16.218 1.00 1.74 H new ATOM 0 HE3 LYS A 113 113.264 3.017 -16.037 1.00 1.74 H new ATOM 0 HZ1 LYS A 113 112.830 1.736 -18.070 1.00 2.18 H new ATOM 0 HZ2 LYS A 113 113.762 0.818 -16.988 1.00 2.18 H new ATOM 0 HZ3 LYS A 113 112.104 0.498 -17.164 1.00 2.18 H new ATOM 1889 N LEU A 114 112.219 5.351 -11.094 1.00 0.21 N ATOM 1890 CA LEU A 114 112.841 6.718 -11.016 1.00 0.21 C ATOM 1891 C LEU A 114 113.838 6.947 -12.160 1.00 0.20 C ATOM 1892 O LEU A 114 113.978 8.058 -12.639 1.00 0.20 O ATOM 1893 CB LEU A 114 113.574 6.782 -9.671 1.00 0.20 C ATOM 1894 CG LEU A 114 112.562 6.699 -8.526 1.00 0.22 C ATOM 1895 CD1 LEU A 114 113.302 6.476 -7.206 1.00 0.23 C ATOM 1896 CD2 LEU A 114 111.769 8.006 -8.447 1.00 0.25 C ATOM 0 H LEU A 114 112.379 4.766 -10.274 1.00 0.21 H new ATOM 0 HA LEU A 114 112.075 7.488 -11.102 1.00 0.21 H new ATOM 0 HB2 LEU A 114 114.289 5.963 -9.597 1.00 0.20 H new ATOM 0 HB3 LEU A 114 114.143 7.709 -9.600 1.00 0.20 H new ATOM 0 HG LEU A 114 111.879 5.869 -8.707 1.00 0.22 H new ATOM 0 HD11 LEU A 114 112.581 6.417 -6.390 1.00 0.23 H new ATOM 0 HD12 LEU A 114 113.868 5.546 -7.259 1.00 0.23 H new ATOM 0 HD13 LEU A 114 113.985 7.306 -7.027 1.00 0.23 H new ATOM 0 HD21 LEU A 114 111.049 7.946 -7.631 1.00 0.25 H new ATOM 0 HD22 LEU A 114 112.452 8.836 -8.267 1.00 0.25 H new ATOM 0 HD23 LEU A 114 111.241 8.168 -9.386 1.00 0.25 H new ATOM 1908 N ARG A 115 114.516 5.907 -12.593 1.00 0.20 N ATOM 1909 CA ARG A 115 115.594 6.064 -13.629 1.00 0.19 C ATOM 1910 C ARG A 115 115.013 6.581 -14.948 1.00 0.18 C ATOM 1911 O ARG A 115 115.660 7.344 -15.643 1.00 0.17 O ATOM 1912 CB ARG A 115 116.211 4.678 -13.841 1.00 0.21 C ATOM 1913 CG ARG A 115 116.901 4.222 -12.554 1.00 0.23 C ATOM 1914 CD ARG A 115 117.646 2.907 -12.808 1.00 0.28 C ATOM 1915 NE ARG A 115 118.833 3.260 -13.656 1.00 1.42 N ATOM 1916 CZ ARG A 115 119.447 2.379 -14.423 1.00 1.93 C ATOM 1917 NH1 ARG A 115 119.083 1.120 -14.502 1.00 2.52 N ATOM 1918 NH2 ARG A 115 120.468 2.777 -15.132 1.00 2.32 N ATOM 0 H ARG A 115 114.369 4.950 -12.272 1.00 0.20 H new ATOM 0 HA ARG A 115 116.340 6.786 -13.295 1.00 0.19 H new ATOM 0 HB2 ARG A 115 115.438 3.964 -14.124 1.00 0.21 H new ATOM 0 HB3 ARG A 115 116.930 4.710 -14.660 1.00 0.21 H new ATOM 0 HG2 ARG A 115 117.599 4.987 -12.213 1.00 0.23 H new ATOM 0 HG3 ARG A 115 116.164 4.087 -11.762 1.00 0.23 H new ATOM 0 HD2 ARG A 115 117.959 2.449 -11.870 1.00 0.28 H new ATOM 0 HD3 ARG A 115 117.004 2.187 -13.316 1.00 0.28 H new ATOM 0 HE ARG A 115 119.179 4.219 -13.639 1.00 1.42 H new ATOM 0 HH11 ARG A 115 118.291 0.783 -13.954 1.00 2.52 H new ATOM 0 HH12 ARG A 115 119.592 0.479 -15.111 1.00 2.52 H new ATOM 0 HH21 ARG A 115 120.774 3.749 -15.085 1.00 2.32 H new ATOM 0 HH22 ARG A 115 120.960 2.116 -15.733 1.00 2.32 H new ATOM 1932 N GLU A 116 113.810 6.171 -15.279 1.00 0.21 N ATOM 1933 CA GLU A 116 113.156 6.653 -16.536 1.00 0.21 C ATOM 1934 C GLU A 116 112.608 8.064 -16.309 1.00 0.20 C ATOM 1935 O GLU A 116 112.839 8.953 -17.109 1.00 0.20 O ATOM 1936 CB GLU A 116 112.024 5.667 -16.844 1.00 0.26 C ATOM 1937 CG GLU A 116 111.440 5.969 -18.226 1.00 0.73 C ATOM 1938 CD GLU A 116 110.218 5.080 -18.473 1.00 1.32 C ATOM 1939 OE1 GLU A 116 109.404 4.961 -17.572 1.00 1.82 O ATOM 1940 OE2 GLU A 116 110.119 4.533 -19.558 1.00 1.76 O ATOM 0 H GLU A 116 113.251 5.519 -14.728 1.00 0.21 H new ATOM 0 HA GLU A 116 113.856 6.699 -17.371 1.00 0.21 H new ATOM 0 HB2 GLU A 116 112.401 4.645 -16.813 1.00 0.26 H new ATOM 0 HB3 GLU A 116 111.246 5.743 -16.085 1.00 0.26 H new ATOM 0 HG2 GLU A 116 111.157 7.020 -18.291 1.00 0.73 H new ATOM 0 HG3 GLU A 116 112.192 5.793 -18.996 1.00 0.73 H new ATOM 1947 N GLN A 117 111.903 8.269 -15.218 1.00 0.21 N ATOM 1948 CA GLN A 117 111.193 9.573 -14.987 1.00 0.22 C ATOM 1949 C GLN A 117 112.189 10.738 -14.906 1.00 0.21 C ATOM 1950 O GLN A 117 111.882 11.838 -15.332 1.00 0.22 O ATOM 1951 CB GLN A 117 110.442 9.429 -13.658 1.00 0.25 C ATOM 1952 CG GLN A 117 109.359 8.355 -13.792 1.00 0.29 C ATOM 1953 CD GLN A 117 108.217 8.883 -14.665 1.00 0.66 C ATOM 1954 OE1 GLN A 117 107.721 9.970 -14.445 1.00 1.06 O ATOM 1955 NE2 GLN A 117 107.778 8.153 -15.653 1.00 1.28 N ATOM 0 H GLN A 117 111.788 7.583 -14.472 1.00 0.21 H new ATOM 0 HA GLN A 117 110.513 9.791 -15.811 1.00 0.22 H new ATOM 0 HB2 GLN A 117 111.138 9.161 -12.863 1.00 0.25 H new ATOM 0 HB3 GLN A 117 109.991 10.381 -13.379 1.00 0.25 H new ATOM 0 HG2 GLN A 117 109.781 7.452 -14.234 1.00 0.29 H new ATOM 0 HG3 GLN A 117 108.981 8.081 -12.807 1.00 0.29 H new ATOM 0 HE21 GLN A 117 108.195 7.240 -15.837 1.00 1.28 H new ATOM 0 HE22 GLN A 117 107.018 8.495 -16.241 1.00 1.28 H new ATOM 1964 N PHE A 118 113.363 10.495 -14.369 1.00 0.18 N ATOM 1965 CA PHE A 118 114.378 11.584 -14.208 1.00 0.17 C ATOM 1966 C PHE A 118 115.556 11.440 -15.184 1.00 0.17 C ATOM 1967 O PHE A 118 116.535 12.152 -15.055 1.00 0.17 O ATOM 1968 CB PHE A 118 114.867 11.445 -12.766 1.00 0.16 C ATOM 1969 CG PHE A 118 113.827 11.826 -11.739 1.00 0.18 C ATOM 1970 CD1 PHE A 118 112.873 10.858 -11.294 1.00 0.24 C ATOM 1971 CD2 PHE A 118 113.797 13.154 -11.211 1.00 0.22 C ATOM 1972 CE1 PHE A 118 111.890 11.218 -10.322 1.00 0.26 C ATOM 1973 CE2 PHE A 118 112.814 13.514 -10.238 1.00 0.25 C ATOM 1974 CZ PHE A 118 111.860 12.546 -9.794 1.00 0.24 C ATOM 0 H PHE A 118 113.663 9.580 -14.033 1.00 0.18 H new ATOM 0 HA PHE A 118 113.941 12.559 -14.422 1.00 0.17 H new ATOM 0 HB2 PHE A 118 115.177 10.414 -12.593 1.00 0.16 H new ATOM 0 HB3 PHE A 118 115.749 12.070 -12.628 1.00 0.16 H new ATOM 0 HD1 PHE A 118 112.896 9.855 -11.693 1.00 0.24 H new ATOM 0 HD2 PHE A 118 114.517 13.885 -11.547 1.00 0.22 H new ATOM 0 HE1 PHE A 118 111.170 10.487 -9.986 1.00 0.26 H new ATOM 0 HE2 PHE A 118 112.792 14.517 -9.838 1.00 0.25 H new ATOM 0 HZ PHE A 118 111.117 12.818 -9.059 1.00 0.24 H new ATOM 1984 N ASN A 119 115.487 10.542 -16.155 1.00 0.17 N ATOM 1985 CA ASN A 119 116.607 10.339 -17.145 1.00 0.18 C ATOM 1986 C ASN A 119 117.963 10.126 -16.443 1.00 0.16 C ATOM 1987 O ASN A 119 118.964 10.716 -16.814 1.00 0.17 O ATOM 1988 CB ASN A 119 116.623 11.600 -18.021 1.00 0.19 C ATOM 1989 CG ASN A 119 115.329 11.678 -18.836 1.00 0.21 C ATOM 1990 OD1 ASN A 119 114.640 12.678 -18.808 1.00 1.05 O ATOM 1991 ND2 ASN A 119 114.969 10.658 -19.566 1.00 1.05 N ATOM 0 H ASN A 119 114.684 9.931 -16.303 1.00 0.17 H new ATOM 0 HA ASN A 119 116.445 9.440 -17.740 1.00 0.18 H new ATOM 0 HB2 ASN A 119 116.725 12.487 -17.396 1.00 0.19 H new ATOM 0 HB3 ASN A 119 117.484 11.580 -18.689 1.00 0.19 H new ATOM 0 HD21 ASN A 119 114.109 10.701 -20.113 1.00 1.05 H new ATOM 0 HD22 ASN A 119 115.547 9.818 -19.590 1.00 1.05 H new ATOM 1998 N LEU A 120 117.988 9.282 -15.436 1.00 0.16 N ATOM 1999 CA LEU A 120 119.200 9.146 -14.568 1.00 0.16 C ATOM 2000 C LEU A 120 120.126 8.045 -15.092 1.00 0.15 C ATOM 2001 O LEU A 120 119.670 6.990 -15.498 1.00 0.19 O ATOM 2002 CB LEU A 120 118.674 8.782 -13.178 1.00 0.21 C ATOM 2003 CG LEU A 120 117.978 9.994 -12.557 1.00 0.27 C ATOM 2004 CD1 LEU A 120 117.196 9.554 -11.317 1.00 0.38 C ATOM 2005 CD2 LEU A 120 119.027 11.033 -12.153 1.00 0.32 C ATOM 0 H LEU A 120 117.210 8.675 -15.177 1.00 0.16 H new ATOM 0 HA LEU A 120 119.783 10.067 -14.553 1.00 0.16 H new ATOM 0 HB2 LEU A 120 117.977 7.947 -13.249 1.00 0.21 H new ATOM 0 HB3 LEU A 120 119.496 8.457 -12.541 1.00 0.21 H new ATOM 0 HG LEU A 120 117.293 10.431 -13.284 1.00 0.27 H new ATOM 0 HD11 LEU A 120 116.700 10.418 -10.874 1.00 0.38 H new ATOM 0 HD12 LEU A 120 116.449 8.813 -11.602 1.00 0.38 H new ATOM 0 HD13 LEU A 120 117.881 9.117 -10.591 1.00 0.38 H new ATOM 0 HD21 LEU A 120 118.532 11.897 -11.710 1.00 0.32 H new ATOM 0 HD22 LEU A 120 119.711 10.595 -11.426 1.00 0.32 H new ATOM 0 HD23 LEU A 120 119.586 11.347 -13.034 1.00 0.32 H new ATOM 2017 N LYS A 121 121.415 8.297 -15.080 1.00 0.13 N ATOM 2018 CA LYS A 121 122.412 7.275 -15.523 1.00 0.15 C ATOM 2019 C LYS A 121 123.288 6.856 -14.339 1.00 0.15 C ATOM 2020 O LYS A 121 123.408 7.583 -13.369 1.00 0.13 O ATOM 2021 CB LYS A 121 123.258 7.975 -16.588 1.00 0.17 C ATOM 2022 CG LYS A 121 122.399 8.254 -17.825 1.00 0.96 C ATOM 2023 CD LYS A 121 123.276 8.842 -18.932 1.00 1.11 C ATOM 2024 CE LYS A 121 122.404 9.210 -20.135 1.00 1.99 C ATOM 2025 NZ LYS A 121 123.236 10.143 -20.943 1.00 2.43 N ATOM 0 H LYS A 121 121.822 9.182 -14.777 1.00 0.13 H new ATOM 0 HA LYS A 121 121.936 6.374 -15.911 1.00 0.15 H new ATOM 0 HB2 LYS A 121 123.659 8.909 -16.193 1.00 0.17 H new ATOM 0 HB3 LYS A 121 124.110 7.351 -16.858 1.00 0.17 H new ATOM 0 HG2 LYS A 121 121.928 7.333 -18.170 1.00 0.96 H new ATOM 0 HG3 LYS A 121 121.596 8.948 -17.575 1.00 0.96 H new ATOM 0 HD2 LYS A 121 123.799 9.725 -18.565 1.00 1.11 H new ATOM 0 HD3 LYS A 121 124.037 8.121 -19.229 1.00 1.11 H new ATOM 0 HE2 LYS A 121 122.132 8.325 -20.710 1.00 1.99 H new ATOM 0 HE3 LYS A 121 121.474 9.683 -19.819 1.00 1.99 H new ATOM 0 HZ1 LYS A 121 122.705 10.440 -21.786 1.00 2.43 H new ATOM 0 HZ2 LYS A 121 123.474 10.979 -20.372 1.00 2.43 H new ATOM 0 HZ3 LYS A 121 124.111 9.663 -21.236 1.00 2.43 H new ATOM 2039 N ASP A 122 123.900 5.693 -14.416 1.00 0.16 N ATOM 2040 CA ASP A 122 124.763 5.181 -13.289 1.00 0.16 C ATOM 2041 C ASP A 122 125.872 6.182 -12.932 1.00 0.15 C ATOM 2042 O ASP A 122 126.489 6.761 -13.809 1.00 0.16 O ATOM 2043 CB ASP A 122 125.388 3.875 -13.791 1.00 0.19 C ATOM 2044 CG ASP A 122 124.292 2.828 -14.009 1.00 0.20 C ATOM 2045 OD1 ASP A 122 123.431 2.711 -13.151 1.00 0.48 O ATOM 2046 OD2 ASP A 122 124.332 2.163 -15.032 1.00 0.50 O ATOM 0 H ASP A 122 123.839 5.068 -15.220 1.00 0.16 H new ATOM 0 HA ASP A 122 124.167 5.033 -12.389 1.00 0.16 H new ATOM 0 HB2 ASP A 122 125.925 4.052 -14.723 1.00 0.19 H new ATOM 0 HB3 ASP A 122 126.116 3.508 -13.068 1.00 0.19 H new ATOM 2051 N GLY A 123 126.115 6.375 -11.656 1.00 0.14 N ATOM 2052 CA GLY A 123 127.145 7.361 -11.203 1.00 0.14 C ATOM 2053 C GLY A 123 126.492 8.672 -10.742 1.00 0.12 C ATOM 2054 O GLY A 123 127.090 9.404 -9.973 1.00 0.13 O ATOM 0 H GLY A 123 125.636 5.884 -10.901 1.00 0.14 H new ATOM 0 HA2 GLY A 123 127.727 6.934 -10.386 1.00 0.14 H new ATOM 0 HA3 GLY A 123 127.841 7.564 -12.017 1.00 0.14 H new ATOM 2058 N ASP A 124 125.290 8.973 -11.195 1.00 0.11 N ATOM 2059 CA ASP A 124 124.601 10.242 -10.770 1.00 0.11 C ATOM 2060 C ASP A 124 124.293 10.193 -9.270 1.00 0.10 C ATOM 2061 O ASP A 124 124.177 9.123 -8.701 1.00 0.10 O ATOM 2062 CB ASP A 124 123.305 10.337 -11.584 1.00 0.11 C ATOM 2063 CG ASP A 124 123.573 11.042 -12.918 1.00 0.12 C ATOM 2064 OD1 ASP A 124 124.311 12.014 -12.921 1.00 0.13 O ATOM 2065 OD2 ASP A 124 123.029 10.597 -13.915 1.00 0.12 O ATOM 0 H ASP A 124 124.756 8.392 -11.842 1.00 0.11 H new ATOM 0 HA ASP A 124 125.232 11.113 -10.948 1.00 0.11 H new ATOM 0 HB2 ASP A 124 122.906 9.339 -11.765 1.00 0.11 H new ATOM 0 HB3 ASP A 124 122.551 10.885 -11.019 1.00 0.11 H new ATOM 2070 N VAL A 125 124.160 11.338 -8.641 1.00 0.10 N ATOM 2071 CA VAL A 125 123.979 11.388 -7.154 1.00 0.10 C ATOM 2072 C VAL A 125 122.566 11.895 -6.828 1.00 0.10 C ATOM 2073 O VAL A 125 122.105 12.864 -7.404 1.00 0.11 O ATOM 2074 CB VAL A 125 125.059 12.353 -6.624 1.00 0.11 C ATOM 2075 CG1 VAL A 125 124.985 12.450 -5.095 1.00 0.10 C ATOM 2076 CG2 VAL A 125 126.458 11.850 -7.002 1.00 0.11 C ATOM 0 H VAL A 125 124.169 12.249 -9.100 1.00 0.10 H new ATOM 0 HA VAL A 125 124.084 10.407 -6.690 1.00 0.10 H new ATOM 0 HB VAL A 125 124.879 13.331 -7.071 1.00 0.11 H new ATOM 0 HG11 VAL A 125 125.753 13.135 -4.736 1.00 0.10 H new ATOM 0 HG12 VAL A 125 124.003 12.821 -4.801 1.00 0.10 H new ATOM 0 HG13 VAL A 125 125.146 11.464 -4.660 1.00 0.10 H new ATOM 0 HG21 VAL A 125 127.209 12.542 -6.621 1.00 0.11 H new ATOM 0 HG22 VAL A 125 126.620 10.864 -6.567 1.00 0.11 H new ATOM 0 HG23 VAL A 125 126.541 11.786 -8.087 1.00 0.11 H new ATOM 2086 N ILE A 126 121.896 11.236 -5.912 1.00 0.10 N ATOM 2087 CA ILE A 126 120.565 11.713 -5.421 1.00 0.11 C ATOM 2088 C ILE A 126 120.567 11.751 -3.888 1.00 0.10 C ATOM 2089 O ILE A 126 121.398 11.119 -3.259 1.00 0.10 O ATOM 2090 CB ILE A 126 119.515 10.721 -5.955 1.00 0.12 C ATOM 2091 CG1 ILE A 126 119.817 9.284 -5.504 1.00 0.11 C ATOM 2092 CG2 ILE A 126 119.496 10.771 -7.486 1.00 0.13 C ATOM 2093 CD1 ILE A 126 118.590 8.404 -5.748 1.00 0.13 C ATOM 0 H ILE A 126 122.222 10.373 -5.477 1.00 0.10 H new ATOM 0 HA ILE A 126 120.341 12.721 -5.770 1.00 0.11 H new ATOM 0 HB ILE A 126 118.544 11.011 -5.553 1.00 0.12 H new ATOM 0 HG12 ILE A 126 120.674 8.892 -6.052 1.00 0.11 H new ATOM 0 HG13 ILE A 126 120.082 9.271 -4.447 1.00 0.11 H new ATOM 0 HG21 ILE A 126 118.753 10.069 -7.864 1.00 0.13 H new ATOM 0 HG22 ILE A 126 119.242 11.779 -7.814 1.00 0.13 H new ATOM 0 HG23 ILE A 126 120.479 10.501 -7.871 1.00 0.13 H new ATOM 0 HD11 ILE A 126 118.804 7.384 -5.428 1.00 0.13 H new ATOM 0 HD12 ILE A 126 117.745 8.793 -5.180 1.00 0.13 H new ATOM 0 HD13 ILE A 126 118.345 8.407 -6.810 1.00 0.13 H new ATOM 2105 N LYS A 127 119.648 12.482 -3.301 1.00 0.10 N ATOM 2106 CA LYS A 127 119.628 12.649 -1.814 1.00 0.09 C ATOM 2107 C LYS A 127 118.431 11.908 -1.217 1.00 0.08 C ATOM 2108 O LYS A 127 117.343 11.951 -1.762 1.00 0.09 O ATOM 2109 CB LYS A 127 119.494 14.155 -1.584 1.00 0.09 C ATOM 2110 CG LYS A 127 120.771 14.862 -2.045 1.00 0.11 C ATOM 2111 CD LYS A 127 120.680 16.352 -1.712 1.00 0.12 C ATOM 2112 CE LYS A 127 121.895 17.081 -2.290 1.00 0.87 C ATOM 2113 NZ LYS A 127 121.615 18.527 -2.076 1.00 1.34 N ATOM 0 H LYS A 127 118.904 12.975 -3.795 1.00 0.10 H new ATOM 0 HA LYS A 127 120.523 12.243 -1.341 1.00 0.09 H new ATOM 0 HB2 LYS A 127 118.635 14.541 -2.132 1.00 0.09 H new ATOM 0 HB3 LYS A 127 119.316 14.357 -0.528 1.00 0.09 H new ATOM 0 HG2 LYS A 127 121.640 14.422 -1.555 1.00 0.11 H new ATOM 0 HG3 LYS A 127 120.907 14.726 -3.118 1.00 0.11 H new ATOM 0 HD2 LYS A 127 119.762 16.772 -2.123 1.00 0.12 H new ATOM 0 HD3 LYS A 127 120.639 16.492 -0.632 1.00 0.12 H new ATOM 0 HE2 LYS A 127 122.813 16.778 -1.787 1.00 0.87 H new ATOM 0 HE3 LYS A 127 122.023 16.856 -3.349 1.00 0.87 H new ATOM 0 HZ1 LYS A 127 122.405 19.092 -2.447 1.00 1.34 H new ATOM 0 HZ2 LYS A 127 120.739 18.788 -2.572 1.00 1.34 H new ATOM 0 HZ3 LYS A 127 121.505 18.712 -1.059 1.00 1.34 H new ATOM 2127 N ILE A 128 118.631 11.234 -0.106 1.00 0.07 N ATOM 2128 CA ILE A 128 117.504 10.532 0.588 1.00 0.08 C ATOM 2129 C ILE A 128 117.244 11.173 1.956 1.00 0.07 C ATOM 2130 O ILE A 128 118.169 11.491 2.683 1.00 0.09 O ATOM 2131 CB ILE A 128 117.920 9.056 0.724 1.00 0.11 C ATOM 2132 CG1 ILE A 128 119.252 8.909 1.477 1.00 0.12 C ATOM 2133 CG2 ILE A 128 118.061 8.439 -0.671 1.00 0.14 C ATOM 2134 CD1 ILE A 128 119.470 7.443 1.859 1.00 0.17 C ATOM 0 H ILE A 128 119.537 11.141 0.353 1.00 0.07 H new ATOM 0 HA ILE A 128 116.575 10.610 0.024 1.00 0.08 H new ATOM 0 HB ILE A 128 117.148 8.540 1.295 1.00 0.11 H new ATOM 0 HG12 ILE A 128 120.074 9.258 0.852 1.00 0.12 H new ATOM 0 HG13 ILE A 128 119.245 9.531 2.372 1.00 0.12 H new ATOM 0 HG21 ILE A 128 118.356 7.394 -0.578 1.00 0.14 H new ATOM 0 HG22 ILE A 128 117.107 8.502 -1.195 1.00 0.14 H new ATOM 0 HG23 ILE A 128 118.821 8.982 -1.234 1.00 0.14 H new ATOM 0 HD11 ILE A 128 120.415 7.343 2.393 1.00 0.17 H new ATOM 0 HD12 ILE A 128 118.654 7.109 2.500 1.00 0.17 H new ATOM 0 HD13 ILE A 128 119.496 6.832 0.957 1.00 0.17 H new ATOM 2146 N LEU A 129 115.988 11.363 2.292 1.00 0.08 N ATOM 2147 CA LEU A 129 115.616 11.984 3.600 1.00 0.15 C ATOM 2148 C LEU A 129 114.985 10.931 4.515 1.00 0.22 C ATOM 2149 O LEU A 129 114.053 10.251 4.124 1.00 0.29 O ATOM 2150 CB LEU A 129 114.600 13.072 3.243 1.00 0.20 C ATOM 2151 CG LEU A 129 114.292 13.929 4.478 1.00 0.50 C ATOM 2152 CD1 LEU A 129 113.854 15.329 4.037 1.00 0.73 C ATOM 2153 CD2 LEU A 129 113.169 13.281 5.294 1.00 0.98 C ATOM 0 H LEU A 129 115.195 11.109 1.703 1.00 0.08 H new ATOM 0 HA LEU A 129 116.476 12.392 4.131 1.00 0.15 H new ATOM 0 HB2 LEU A 129 114.993 13.700 2.443 1.00 0.20 H new ATOM 0 HB3 LEU A 129 113.683 12.616 2.869 1.00 0.20 H new ATOM 0 HG LEU A 129 115.189 14.003 5.092 1.00 0.50 H new ATOM 0 HD11 LEU A 129 113.636 15.936 4.916 1.00 0.73 H new ATOM 0 HD12 LEU A 129 114.654 15.796 3.463 1.00 0.73 H new ATOM 0 HD13 LEU A 129 112.960 15.252 3.418 1.00 0.73 H new ATOM 0 HD21 LEU A 129 112.955 13.894 6.169 1.00 0.98 H new ATOM 0 HD22 LEU A 129 112.272 13.201 4.679 1.00 0.98 H new ATOM 0 HD23 LEU A 129 113.479 12.287 5.615 1.00 0.98 H new