USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 606 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 93 HIS : no HE2:sc= 0.0549 K(o=0.44,f=-0.18) USER MOD Set 1.2: A 95 SER OG : rot 115:sc= 0.388 USER MOD Set 2.1: A 32 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 44 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 22 SER OG : rot -100:sc= -2.47 USER MOD Set 3.2: A 48 MET CE :methyl 172:sc= -1.54 (180deg=-1.54) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0886 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 8:sc= 0.862 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0203 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 30 GLN : amide:sc= -0.0499 K(o=-0.05,f=-0.76) USER MOD Single : A 31 TYR OH : rot 165:sc= -0.672 USER MOD Single : A 38 HIS : no HD1:sc= -0.0142 X(o=-0.014,f=-0.26) USER MOD Single : A 43 SER OG : rot 180:sc= -0.179! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 170:sc= 0 (180deg=-0.0548) USER MOD Single : A 52 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0107) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0239 USER MOD Single : A 58 ASN : amide:sc= -0.954! C(o=-0.95!,f=-5.1!) USER MOD Single : A 60 GLN : amide:sc= -0.122 K(o=-0.12,f=-2.7!) USER MOD Single : A 66 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0552) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 22:sc= -0.0742 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 24:sc= 0.391 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.513 -22.745 6.147 1.00 0.00 N ATOM 2 CA GLY A 1 -28.417 -21.869 5.422 1.00 0.00 C ATOM 3 C GLY A 1 -27.667 -20.672 4.835 1.00 0.00 C ATOM 4 O GLY A 1 -26.439 -20.626 4.871 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.501 -23.682 5.696 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.554 -22.342 6.134 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.836 -22.839 7.131 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.904 -22.426 4.621 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.203 -21.518 6.091 1.00 0.00 H new ATOM 8 N SER A 2 -28.438 -19.732 4.308 1.00 0.00 N ATOM 9 CA SER A 2 -27.862 -18.538 3.713 1.00 0.00 C ATOM 10 C SER A 2 -28.971 -17.643 3.157 1.00 0.00 C ATOM 11 O SER A 2 -30.030 -18.131 2.766 1.00 0.00 O ATOM 12 CB SER A 2 -26.866 -18.897 2.609 1.00 0.00 C ATOM 13 OG SER A 2 -27.446 -19.747 1.624 1.00 0.00 O ATOM 0 H SER A 2 -29.457 -19.773 4.281 1.00 0.00 H new ATOM 0 HA SER A 2 -27.322 -17.996 4.489 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.506 -17.984 2.134 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.999 -19.390 3.049 1.00 0.00 H new ATOM 0 HG SER A 2 -26.779 -19.952 0.936 1.00 0.00 H new ATOM 18 N SER A 3 -28.690 -16.347 3.140 1.00 0.00 N ATOM 19 CA SER A 3 -29.651 -15.380 2.638 1.00 0.00 C ATOM 20 C SER A 3 -29.015 -13.989 2.588 1.00 0.00 C ATOM 21 O SER A 3 -28.114 -13.686 3.368 1.00 0.00 O ATOM 22 CB SER A 3 -30.912 -15.356 3.504 1.00 0.00 C ATOM 23 OG SER A 3 -32.100 -15.421 2.719 1.00 0.00 O ATOM 0 H SER A 3 -27.811 -15.945 3.466 1.00 0.00 H new ATOM 0 HA SER A 3 -29.941 -15.677 1.630 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.890 -16.195 4.199 1.00 0.00 H new ATOM 0 HB3 SER A 3 -30.923 -14.446 4.103 1.00 0.00 H new ATOM 0 HG SER A 3 -32.883 -15.405 3.308 1.00 0.00 H new ATOM 28 N GLY A 4 -29.510 -13.181 1.663 1.00 0.00 N ATOM 29 CA GLY A 4 -29.002 -11.829 1.500 1.00 0.00 C ATOM 30 C GLY A 4 -29.684 -11.123 0.327 1.00 0.00 C ATOM 31 O GLY A 4 -30.230 -11.776 -0.561 1.00 0.00 O ATOM 0 H GLY A 4 -30.258 -13.436 1.018 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -29.168 -11.262 2.416 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.925 -11.859 1.334 1.00 0.00 H new ATOM 35 N SER A 5 -29.632 -9.800 0.362 1.00 0.00 N ATOM 36 CA SER A 5 -30.238 -8.998 -0.687 1.00 0.00 C ATOM 37 C SER A 5 -29.214 -8.010 -1.250 1.00 0.00 C ATOM 38 O SER A 5 -28.390 -7.476 -0.508 1.00 0.00 O ATOM 39 CB SER A 5 -31.467 -8.250 -0.168 1.00 0.00 C ATOM 40 OG SER A 5 -32.674 -8.738 -0.750 1.00 0.00 O ATOM 0 H SER A 5 -29.179 -9.263 1.101 1.00 0.00 H new ATOM 0 HA SER A 5 -30.563 -9.667 -1.484 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.521 -8.350 0.916 1.00 0.00 H new ATOM 0 HB3 SER A 5 -31.363 -7.187 -0.386 1.00 0.00 H new ATOM 0 HG SER A 5 -33.436 -8.236 -0.392 1.00 0.00 H new ATOM 45 N SER A 6 -29.299 -7.797 -2.555 1.00 0.00 N ATOM 46 CA SER A 6 -28.390 -6.882 -3.224 1.00 0.00 C ATOM 47 C SER A 6 -28.391 -5.528 -2.511 1.00 0.00 C ATOM 48 O SER A 6 -29.368 -4.784 -2.587 1.00 0.00 O ATOM 49 CB SER A 6 -28.769 -6.708 -4.696 1.00 0.00 C ATOM 50 OG SER A 6 -27.821 -7.317 -5.568 1.00 0.00 O ATOM 0 H SER A 6 -29.983 -8.242 -3.167 1.00 0.00 H new ATOM 0 HA SER A 6 -27.386 -7.305 -3.183 1.00 0.00 H new ATOM 0 HB2 SER A 6 -29.753 -7.143 -4.871 1.00 0.00 H new ATOM 0 HB3 SER A 6 -28.844 -5.646 -4.928 1.00 0.00 H new ATOM 0 HG SER A 6 -28.100 -7.185 -6.498 1.00 0.00 H new ATOM 55 N GLY A 7 -27.285 -5.250 -1.838 1.00 0.00 N ATOM 56 CA GLY A 7 -27.146 -3.998 -1.113 1.00 0.00 C ATOM 57 C GLY A 7 -25.742 -3.418 -1.285 1.00 0.00 C ATOM 58 O GLY A 7 -24.785 -3.910 -0.687 1.00 0.00 O ATOM 0 H GLY A 7 -26.477 -5.869 -1.779 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -27.886 -3.282 -1.472 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -27.348 -4.162 -0.055 1.00 0.00 H new ATOM 62 N THR A 8 -25.661 -2.379 -2.103 1.00 0.00 N ATOM 63 CA THR A 8 -24.389 -1.726 -2.361 1.00 0.00 C ATOM 64 C THR A 8 -24.611 -0.269 -2.771 1.00 0.00 C ATOM 65 O THR A 8 -24.128 0.647 -2.106 1.00 0.00 O ATOM 66 CB THR A 8 -23.641 -2.547 -3.415 1.00 0.00 C ATOM 67 OG1 THR A 8 -23.116 -3.652 -2.686 1.00 0.00 O ATOM 68 CG2 THR A 8 -22.400 -1.827 -3.946 1.00 0.00 C ATOM 0 H THR A 8 -26.456 -1.973 -2.596 1.00 0.00 H new ATOM 0 HA THR A 8 -23.774 -1.688 -1.462 1.00 0.00 H new ATOM 0 HB THR A 8 -24.313 -2.771 -4.244 1.00 0.00 H new ATOM 0 HG1 THR A 8 -23.476 -3.643 -1.775 1.00 0.00 H new ATOM 0 HG21 THR A 8 -21.907 -2.453 -4.690 1.00 0.00 H new ATOM 0 HG22 THR A 8 -22.695 -0.883 -4.404 1.00 0.00 H new ATOM 0 HG23 THR A 8 -21.712 -1.632 -3.123 1.00 0.00 H new ATOM 76 N CYS A 9 -25.340 -0.099 -3.863 1.00 0.00 N ATOM 77 CA CYS A 9 -25.633 1.232 -4.369 1.00 0.00 C ATOM 78 C CYS A 9 -24.314 1.885 -4.791 1.00 0.00 C ATOM 79 O CYS A 9 -23.494 2.237 -3.945 1.00 0.00 O ATOM 80 CB CYS A 9 -26.383 2.077 -3.338 1.00 0.00 C ATOM 81 SG CYS A 9 -28.182 2.019 -3.672 1.00 0.00 S ATOM 0 H CYS A 9 -25.737 -0.861 -4.413 1.00 0.00 H new ATOM 0 HA CYS A 9 -26.295 1.159 -5.232 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -26.179 1.706 -2.334 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -26.031 3.108 -3.375 1.00 0.00 H new ATOM 0 HG CYS A 9 -28.811 2.738 -2.790 1.00 0.00 H new ATOM 86 N VAL A 10 -24.153 2.025 -6.098 1.00 0.00 N ATOM 87 CA VAL A 10 -22.948 2.629 -6.642 1.00 0.00 C ATOM 88 C VAL A 10 -22.763 4.022 -6.036 1.00 0.00 C ATOM 89 O VAL A 10 -23.740 4.715 -5.754 1.00 0.00 O ATOM 90 CB VAL A 10 -23.017 2.647 -8.171 1.00 0.00 C ATOM 91 CG1 VAL A 10 -23.112 1.227 -8.732 1.00 0.00 C ATOM 92 CG2 VAL A 10 -24.184 3.508 -8.657 1.00 0.00 C ATOM 0 H VAL A 10 -24.836 1.731 -6.796 1.00 0.00 H new ATOM 0 HA VAL A 10 -22.071 2.039 -6.376 1.00 0.00 H new ATOM 0 HB VAL A 10 -22.095 3.093 -8.543 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -23.160 1.268 -9.820 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -22.234 0.656 -8.429 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -24.010 0.743 -8.347 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -24.210 3.504 -9.747 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -25.120 3.105 -8.270 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -24.055 4.530 -8.301 1.00 0.00 H new ATOM 102 N PHE A 11 -21.504 4.390 -5.854 1.00 0.00 N ATOM 103 CA PHE A 11 -21.177 5.687 -5.285 1.00 0.00 C ATOM 104 C PHE A 11 -19.673 5.958 -5.364 1.00 0.00 C ATOM 105 O PHE A 11 -18.886 5.308 -4.677 1.00 0.00 O ATOM 106 CB PHE A 11 -21.602 5.651 -3.816 1.00 0.00 C ATOM 107 CG PHE A 11 -23.044 6.100 -3.573 1.00 0.00 C ATOM 108 CD1 PHE A 11 -23.428 7.362 -3.903 1.00 0.00 C ATOM 109 CD2 PHE A 11 -23.943 5.237 -3.028 1.00 0.00 C ATOM 110 CE1 PHE A 11 -24.767 7.779 -3.679 1.00 0.00 C ATOM 111 CE2 PHE A 11 -25.281 5.653 -2.803 1.00 0.00 C ATOM 112 CZ PHE A 11 -25.665 6.915 -3.133 1.00 0.00 C ATOM 0 H PHE A 11 -20.697 3.813 -6.090 1.00 0.00 H new ATOM 0 HA PHE A 11 -21.689 6.475 -5.837 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -21.480 4.636 -3.438 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -20.932 6.288 -3.239 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -22.714 8.048 -4.336 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -23.638 4.234 -2.766 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -25.072 8.781 -3.942 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -25.994 4.967 -2.370 1.00 0.00 H new ATOM 0 HZ PHE A 11 -26.683 7.232 -2.962 1.00 0.00 H new ATOM 121 N GLU A 12 -19.321 6.917 -6.206 1.00 0.00 N ATOM 122 CA GLU A 12 -17.925 7.282 -6.383 1.00 0.00 C ATOM 123 C GLU A 12 -17.710 8.751 -6.017 1.00 0.00 C ATOM 124 O GLU A 12 -18.510 9.610 -6.385 1.00 0.00 O ATOM 125 CB GLU A 12 -17.462 6.999 -7.813 1.00 0.00 C ATOM 126 CG GLU A 12 -16.081 6.339 -7.822 1.00 0.00 C ATOM 127 CD GLU A 12 -16.169 4.890 -8.308 1.00 0.00 C ATOM 128 OE1 GLU A 12 -16.225 4.709 -9.544 1.00 0.00 O ATOM 129 OE2 GLU A 12 -16.178 3.998 -7.433 1.00 0.00 O ATOM 0 H GLU A 12 -19.977 7.453 -6.774 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.321 6.670 -5.713 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -18.182 6.350 -8.311 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -17.428 7.930 -8.379 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -15.409 6.903 -8.468 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -15.655 6.365 -6.819 1.00 0.00 H new ATOM 134 N LYS A 13 -16.624 8.997 -5.298 1.00 0.00 N ATOM 135 CA LYS A 13 -16.294 10.348 -4.879 1.00 0.00 C ATOM 136 C LYS A 13 -14.816 10.410 -4.490 1.00 0.00 C ATOM 137 O LYS A 13 -14.483 10.490 -3.309 1.00 0.00 O ATOM 138 CB LYS A 13 -17.241 10.812 -3.771 1.00 0.00 C ATOM 139 CG LYS A 13 -18.300 11.771 -4.319 1.00 0.00 C ATOM 140 CD LYS A 13 -19.649 11.549 -3.632 1.00 0.00 C ATOM 141 CE LYS A 13 -20.538 12.788 -3.758 1.00 0.00 C ATOM 142 NZ LYS A 13 -21.369 12.955 -2.544 1.00 0.00 N ATOM 0 H LYS A 13 -15.962 8.283 -4.995 1.00 0.00 H new ATOM 0 HA LYS A 13 -16.437 11.048 -5.703 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -17.727 9.948 -3.318 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.671 11.306 -2.984 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -17.976 12.801 -4.168 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -18.407 11.625 -5.394 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -20.151 10.690 -4.077 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -19.491 11.316 -2.579 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.920 13.673 -3.907 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -21.179 12.695 -4.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -21.966 13.800 -2.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -21.973 12.117 -2.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -20.752 13.065 -1.714 1.00 0.00 H new ATOM 152 N GLU A 14 -13.967 10.370 -5.507 1.00 0.00 N ATOM 153 CA GLU A 14 -12.532 10.421 -5.287 1.00 0.00 C ATOM 154 C GLU A 14 -12.091 9.259 -4.392 1.00 0.00 C ATOM 155 O GLU A 14 -12.894 8.388 -4.060 1.00 0.00 O ATOM 156 CB GLU A 14 -12.117 11.764 -4.685 1.00 0.00 C ATOM 157 CG GLU A 14 -11.807 12.784 -5.783 1.00 0.00 C ATOM 158 CD GLU A 14 -11.999 14.214 -5.272 1.00 0.00 C ATOM 159 OE1 GLU A 14 -13.056 14.457 -4.651 1.00 0.00 O ATOM 160 OE2 GLU A 14 -11.085 15.031 -5.516 1.00 0.00 O ATOM 0 H GLU A 14 -14.246 10.303 -6.486 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.032 10.323 -6.251 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.915 12.143 -4.047 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.240 11.628 -4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.782 12.652 -6.128 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.457 12.610 -6.640 1.00 0.00 H new ATOM 165 N ASN A 15 -10.818 9.285 -4.029 1.00 0.00 N ATOM 166 CA ASN A 15 -10.260 8.247 -3.179 1.00 0.00 C ATOM 167 C ASN A 15 -9.292 8.877 -2.177 1.00 0.00 C ATOM 168 O ASN A 15 -8.374 9.598 -2.565 1.00 0.00 O ATOM 169 CB ASN A 15 -9.484 7.218 -4.004 1.00 0.00 C ATOM 170 CG ASN A 15 -10.424 6.168 -4.598 1.00 0.00 C ATOM 171 OD1 ASN A 15 -10.905 5.273 -3.921 1.00 0.00 O ATOM 172 ND2 ASN A 15 -10.660 6.325 -5.898 1.00 0.00 N ATOM 0 H ASN A 15 -10.156 10.009 -4.308 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.085 7.752 -2.667 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.944 7.722 -4.805 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -8.739 6.730 -3.375 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -11.275 5.675 -6.387 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -10.226 7.096 -6.406 1.00 0.00 H new ATOM 178 N ASP A 16 -9.530 8.583 -0.907 1.00 0.00 N ATOM 179 CA ASP A 16 -8.690 9.113 0.154 1.00 0.00 C ATOM 180 C ASP A 16 -7.236 8.716 -0.107 1.00 0.00 C ATOM 181 O ASP A 16 -6.970 7.653 -0.666 1.00 0.00 O ATOM 182 CB ASP A 16 -9.099 8.546 1.515 1.00 0.00 C ATOM 183 CG ASP A 16 -10.604 8.548 1.791 1.00 0.00 C ATOM 184 OD1 ASP A 16 -11.358 8.784 0.823 1.00 0.00 O ATOM 185 OD2 ASP A 16 -10.966 8.315 2.965 1.00 0.00 O ATOM 0 H ASP A 16 -10.292 7.985 -0.589 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.805 10.197 0.166 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -8.733 7.522 1.590 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.601 9.121 2.296 1.00 0.00 H new ATOM 189 N PRO A 17 -6.309 9.613 0.324 1.00 0.00 N ATOM 190 CA PRO A 17 -4.888 9.367 0.142 1.00 0.00 C ATOM 191 C PRO A 17 -4.383 8.318 1.134 1.00 0.00 C ATOM 192 O PRO A 17 -3.242 7.869 1.042 1.00 0.00 O ATOM 193 CB PRO A 17 -4.229 10.724 0.325 1.00 0.00 C ATOM 194 CG PRO A 17 -5.243 11.587 1.055 1.00 0.00 C ATOM 195 CD PRO A 17 -6.588 10.882 0.990 1.00 0.00 C ATOM 0 HA PRO A 17 -4.653 8.954 -0.839 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.307 10.636 0.899 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.965 11.162 -0.637 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.941 11.737 2.091 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.306 12.573 0.595 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.001 10.724 1.986 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.317 11.470 0.432 1.00 0.00 H new ATOM 200 N THR A 18 -5.258 7.958 2.063 1.00 0.00 N ATOM 201 CA THR A 18 -4.915 6.971 3.071 1.00 0.00 C ATOM 202 C THR A 18 -5.485 5.602 2.693 1.00 0.00 C ATOM 203 O THR A 18 -5.774 4.784 3.566 1.00 0.00 O ATOM 204 CB THR A 18 -5.412 7.484 4.424 1.00 0.00 C ATOM 205 OG1 THR A 18 -6.814 7.657 4.235 1.00 0.00 O ATOM 206 CG2 THR A 18 -4.902 8.890 4.741 1.00 0.00 C ATOM 0 H THR A 18 -6.204 8.333 2.138 1.00 0.00 H new ATOM 0 HA THR A 18 -3.836 6.832 3.137 1.00 0.00 H new ATOM 0 HB THR A 18 -5.096 6.799 5.210 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.218 7.986 5.065 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.284 9.205 5.712 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.812 8.885 4.764 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.245 9.583 3.973 1.00 0.00 H new ATOM 214 N VAL A 19 -5.629 5.395 1.393 1.00 0.00 N ATOM 215 CA VAL A 19 -6.160 4.139 0.889 1.00 0.00 C ATOM 216 C VAL A 19 -5.245 3.612 -0.217 1.00 0.00 C ATOM 217 O VAL A 19 -4.704 4.388 -1.003 1.00 0.00 O ATOM 218 CB VAL A 19 -7.606 4.331 0.428 1.00 0.00 C ATOM 219 CG1 VAL A 19 -7.661 4.789 -1.031 1.00 0.00 C ATOM 220 CG2 VAL A 19 -8.419 3.051 0.631 1.00 0.00 C ATOM 0 H VAL A 19 -5.387 6.076 0.673 1.00 0.00 H new ATOM 0 HA VAL A 19 -6.181 3.388 1.679 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.052 5.114 1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.700 4.918 -1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.133 5.737 -1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.189 4.039 -1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.443 3.214 0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.973 2.241 0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.421 2.785 1.688 1.00 0.00 H new ATOM 230 N LEU A 20 -5.099 2.295 -0.243 1.00 0.00 N ATOM 231 CA LEU A 20 -4.259 1.654 -1.240 1.00 0.00 C ATOM 232 C LEU A 20 -5.129 0.797 -2.160 1.00 0.00 C ATOM 233 O LEU A 20 -5.518 -0.311 -1.798 1.00 0.00 O ATOM 234 CB LEU A 20 -3.126 0.877 -0.566 1.00 0.00 C ATOM 235 CG LEU A 20 -2.000 1.720 0.038 1.00 0.00 C ATOM 236 CD1 LEU A 20 -1.409 1.040 1.274 1.00 0.00 C ATOM 237 CD2 LEU A 20 -0.930 2.036 -1.009 1.00 0.00 C ATOM 0 H LEU A 20 -5.549 1.654 0.411 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.774 2.402 -1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.555 0.260 0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.691 0.198 -1.300 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.422 2.671 0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.611 1.660 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.188 0.909 2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.006 0.066 0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.142 2.636 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.506 1.106 -1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.379 2.592 -1.832 1.00 0.00 H new ATOM 248 N ARG A 21 -5.410 1.344 -3.334 1.00 0.00 N ATOM 249 CA ARG A 21 -6.228 0.644 -4.309 1.00 0.00 C ATOM 250 C ARG A 21 -5.340 -0.107 -5.305 1.00 0.00 C ATOM 251 O ARG A 21 -4.150 0.182 -5.422 1.00 0.00 O ATOM 252 CB ARG A 21 -7.128 1.617 -5.074 1.00 0.00 C ATOM 253 CG ARG A 21 -8.420 1.889 -4.300 1.00 0.00 C ATOM 254 CD ARG A 21 -9.621 1.962 -5.246 1.00 0.00 C ATOM 255 NE ARG A 21 -10.860 2.198 -4.473 1.00 0.00 N ATOM 256 CZ ARG A 21 -12.053 2.459 -5.027 1.00 0.00 C ATOM 257 NH1 ARG A 21 -12.174 2.517 -6.360 1.00 0.00 N ATOM 258 NH2 ARG A 21 -13.124 2.660 -4.247 1.00 0.00 N ATOM 0 H ARG A 21 -5.085 2.264 -3.632 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.855 -0.065 -3.768 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.597 2.554 -5.243 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.367 1.204 -6.054 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.580 1.101 -3.564 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.328 2.826 -3.750 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.476 2.764 -5.970 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.706 1.034 -5.811 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.803 2.160 -3.455 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.359 2.363 -6.953 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.081 2.715 -6.782 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.032 2.614 -3.232 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.032 2.859 -4.668 1.00 0.00 H new ATOM 269 N SER A 22 -5.954 -1.056 -5.997 1.00 0.00 N ATOM 270 CA SER A 22 -5.235 -1.850 -6.979 1.00 0.00 C ATOM 271 C SER A 22 -5.200 -1.117 -8.321 1.00 0.00 C ATOM 272 O SER A 22 -6.243 -0.743 -8.855 1.00 0.00 O ATOM 273 CB SER A 22 -5.872 -3.231 -7.144 1.00 0.00 C ATOM 274 OG SER A 22 -5.255 -3.983 -8.184 1.00 0.00 O ATOM 0 H SER A 22 -6.941 -1.293 -5.897 1.00 0.00 H new ATOM 0 HA SER A 22 -4.214 -1.991 -6.623 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.795 -3.780 -6.205 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.934 -3.117 -7.361 1.00 0.00 H new ATOM 0 HG SER A 22 -5.805 -3.933 -8.994 1.00 0.00 H new ATOM 279 N PRO A 23 -3.958 -0.930 -8.841 1.00 0.00 N ATOM 280 CA PRO A 23 -3.774 -0.249 -10.112 1.00 0.00 C ATOM 281 C PRO A 23 -4.166 -1.155 -11.281 1.00 0.00 C ATOM 282 O PRO A 23 -4.434 -0.673 -12.381 1.00 0.00 O ATOM 283 CB PRO A 23 -2.307 0.150 -10.135 1.00 0.00 C ATOM 284 CG PRO A 23 -1.622 -0.722 -9.097 1.00 0.00 C ATOM 285 CD PRO A 23 -2.700 -1.361 -8.238 1.00 0.00 C ATOM 0 HA PRO A 23 -4.413 0.628 -10.217 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.875 -0.007 -11.123 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -2.186 1.207 -9.898 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.017 -1.488 -9.582 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.948 -0.125 -8.482 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.613 -2.448 -8.237 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.625 -1.034 -7.201 1.00 0.00 H new ATOM 290 N SER A 24 -4.186 -2.450 -11.005 1.00 0.00 N ATOM 291 CA SER A 24 -4.540 -3.427 -12.020 1.00 0.00 C ATOM 292 C SER A 24 -4.942 -4.747 -11.358 1.00 0.00 C ATOM 293 O SER A 24 -4.493 -5.054 -10.255 1.00 0.00 O ATOM 294 CB SER A 24 -3.382 -3.652 -12.995 1.00 0.00 C ATOM 295 OG SER A 24 -3.829 -3.718 -14.347 1.00 0.00 O ATOM 0 H SER A 24 -3.963 -2.846 -10.092 1.00 0.00 H new ATOM 0 HA SER A 24 -5.387 -3.040 -12.587 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.658 -2.844 -12.891 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.866 -4.577 -12.738 1.00 0.00 H new ATOM 0 HG SER A 24 -3.061 -3.861 -14.939 1.00 0.00 H new ATOM 300 N ALA A 25 -5.782 -5.492 -12.060 1.00 0.00 N ATOM 301 CA ALA A 25 -6.249 -6.772 -11.555 1.00 0.00 C ATOM 302 C ALA A 25 -5.053 -7.707 -11.366 1.00 0.00 C ATOM 303 O ALA A 25 -4.055 -7.596 -12.075 1.00 0.00 O ATOM 304 CB ALA A 25 -7.295 -7.348 -12.512 1.00 0.00 C ATOM 0 H ALA A 25 -6.152 -5.234 -12.975 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.729 -6.650 -10.584 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.645 -8.308 -12.133 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.136 -6.659 -12.589 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.849 -7.487 -13.497 1.00 0.00 H new ATOM 310 N GLY A 26 -5.195 -8.610 -10.406 1.00 0.00 N ATOM 311 CA GLY A 26 -4.139 -9.564 -10.115 1.00 0.00 C ATOM 312 C GLY A 26 -4.572 -10.544 -9.021 1.00 0.00 C ATOM 313 O GLY A 26 -5.759 -10.825 -8.870 1.00 0.00 O ATOM 0 H GLY A 26 -6.025 -8.701 -9.820 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.881 -10.114 -11.020 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.241 -9.033 -9.798 1.00 0.00 H new ATOM 317 N LYS A 27 -3.583 -11.035 -8.288 1.00 0.00 N ATOM 318 CA LYS A 27 -3.847 -11.978 -7.214 1.00 0.00 C ATOM 319 C LYS A 27 -2.934 -11.660 -6.028 1.00 0.00 C ATOM 320 O LYS A 27 -1.714 -11.782 -6.129 1.00 0.00 O ATOM 321 CB LYS A 27 -3.721 -13.416 -7.719 1.00 0.00 C ATOM 322 CG LYS A 27 -4.857 -14.288 -7.179 1.00 0.00 C ATOM 323 CD LYS A 27 -5.221 -15.391 -8.175 1.00 0.00 C ATOM 324 CE LYS A 27 -6.630 -15.181 -8.733 1.00 0.00 C ATOM 325 NZ LYS A 27 -7.576 -16.147 -8.132 1.00 0.00 N ATOM 0 H LYS A 27 -2.599 -10.798 -8.416 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.874 -11.878 -6.863 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.737 -13.425 -8.809 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.761 -13.831 -7.411 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.559 -14.734 -6.230 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.732 -13.669 -6.980 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.500 -15.401 -8.992 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.161 -16.363 -7.685 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.961 -14.163 -8.527 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.620 -15.300 -9.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.527 -15.990 -8.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.268 -17.116 -8.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.599 -16.015 -7.101 1.00 0.00 H new ATOM 335 N LEU A 28 -3.559 -11.258 -4.930 1.00 0.00 N ATOM 336 CA LEU A 28 -2.817 -10.923 -3.727 1.00 0.00 C ATOM 337 C LEU A 28 -2.102 -12.172 -3.209 1.00 0.00 C ATOM 338 O LEU A 28 -2.669 -13.263 -3.215 1.00 0.00 O ATOM 339 CB LEU A 28 -3.739 -10.268 -2.696 1.00 0.00 C ATOM 340 CG LEU A 28 -3.045 -9.516 -1.558 1.00 0.00 C ATOM 341 CD1 LEU A 28 -2.212 -8.352 -2.100 1.00 0.00 C ATOM 342 CD2 LEU A 28 -4.057 -9.057 -0.507 1.00 0.00 C ATOM 0 H LEU A 28 -4.571 -11.157 -4.849 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.046 -10.184 -3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.397 -9.572 -3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.372 -11.041 -2.261 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.357 -10.202 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.729 -7.834 -1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.452 -8.735 -2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.861 -7.658 -2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.538 -8.525 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.787 -8.393 -0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.569 -9.925 -0.091 1.00 0.00 H new ATOM 353 N THR A 29 -0.868 -11.969 -2.772 1.00 0.00 N ATOM 354 CA THR A 29 -0.070 -13.066 -2.251 1.00 0.00 C ATOM 355 C THR A 29 0.189 -12.874 -0.755 1.00 0.00 C ATOM 356 O THR A 29 -0.328 -13.627 0.070 1.00 0.00 O ATOM 357 CB THR A 29 1.212 -13.155 -3.082 1.00 0.00 C ATOM 358 OG1 THR A 29 1.715 -11.821 -3.088 1.00 0.00 O ATOM 359 CG2 THR A 29 0.934 -13.454 -4.557 1.00 0.00 C ATOM 0 H THR A 29 -0.401 -11.062 -2.768 1.00 0.00 H new ATOM 0 HA THR A 29 -0.599 -14.015 -2.339 1.00 0.00 H new ATOM 0 HB THR A 29 1.859 -13.930 -2.670 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.547 -11.788 -3.604 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.877 -13.507 -5.102 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.412 -14.407 -4.643 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.315 -12.662 -4.979 1.00 0.00 H new ATOM 367 N GLN A 30 0.988 -11.862 -0.450 1.00 0.00 N ATOM 368 CA GLN A 30 1.322 -11.562 0.931 1.00 0.00 C ATOM 369 C GLN A 30 2.048 -10.218 1.023 1.00 0.00 C ATOM 370 O GLN A 30 2.319 -9.585 0.004 1.00 0.00 O ATOM 371 CB GLN A 30 2.161 -12.682 1.550 1.00 0.00 C ATOM 372 CG GLN A 30 3.522 -12.791 0.859 1.00 0.00 C ATOM 373 CD GLN A 30 4.510 -13.585 1.718 1.00 0.00 C ATOM 374 OE1 GLN A 30 4.565 -13.451 2.929 1.00 0.00 O ATOM 375 NE2 GLN A 30 5.284 -14.414 1.024 1.00 0.00 N ATOM 0 H GLN A 30 1.414 -11.239 -1.137 1.00 0.00 H new ATOM 0 HA GLN A 30 0.395 -11.492 1.500 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.303 -12.490 2.614 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.629 -13.630 1.465 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.404 -13.277 -0.110 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.919 -11.794 0.669 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.185 -14.476 0.011 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.977 -14.988 1.505 1.00 0.00 H new ATOM 382 N TYR A 31 2.344 -9.824 2.252 1.00 0.00 N ATOM 383 CA TYR A 31 3.034 -8.568 2.490 1.00 0.00 C ATOM 384 C TYR A 31 4.542 -8.787 2.626 1.00 0.00 C ATOM 385 O TYR A 31 5.003 -9.925 2.697 1.00 0.00 O ATOM 386 CB TYR A 31 2.487 -8.030 3.814 1.00 0.00 C ATOM 387 CG TYR A 31 0.976 -7.792 3.812 1.00 0.00 C ATOM 388 CD1 TYR A 31 0.467 -6.595 3.351 1.00 0.00 C ATOM 389 CD2 TYR A 31 0.122 -8.773 4.272 1.00 0.00 C ATOM 390 CE1 TYR A 31 -0.955 -6.371 3.350 1.00 0.00 C ATOM 391 CE2 TYR A 31 -1.300 -8.549 4.271 1.00 0.00 C ATOM 392 CZ TYR A 31 -1.769 -7.359 3.810 1.00 0.00 C ATOM 393 OH TYR A 31 -3.112 -7.147 3.808 1.00 0.00 O ATOM 0 H TYR A 31 2.118 -10.353 3.095 1.00 0.00 H new ATOM 0 HA TYR A 31 2.873 -7.879 1.661 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.733 -8.734 4.609 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.992 -7.093 4.050 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.135 -5.827 2.991 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.521 -9.710 4.633 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.367 -5.439 2.992 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.979 -9.309 4.628 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.578 -8.000 3.930 1.00 0.00 H new ATOM 402 N THR A 32 5.268 -7.680 2.656 1.00 0.00 N ATOM 403 CA THR A 32 6.715 -7.736 2.783 1.00 0.00 C ATOM 404 C THR A 32 7.190 -6.808 3.901 1.00 0.00 C ATOM 405 O THR A 32 8.372 -6.477 3.979 1.00 0.00 O ATOM 406 CB THR A 32 7.322 -7.404 1.419 1.00 0.00 C ATOM 407 OG1 THR A 32 7.049 -6.016 1.246 1.00 0.00 O ATOM 408 CG2 THR A 32 6.574 -8.076 0.264 1.00 0.00 C ATOM 0 H THR A 32 4.882 -6.738 2.595 1.00 0.00 H new ATOM 0 HA THR A 32 7.048 -8.734 3.070 1.00 0.00 H new ATOM 0 HB THR A 32 8.367 -7.713 1.403 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.410 -5.716 0.386 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.046 -7.807 -0.681 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.606 -9.158 0.390 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.536 -7.742 0.259 1.00 0.00 H new ATOM 416 N VAL A 33 6.243 -6.414 4.741 1.00 0.00 N ATOM 417 CA VAL A 33 6.551 -5.529 5.852 1.00 0.00 C ATOM 418 C VAL A 33 5.943 -6.100 7.136 1.00 0.00 C ATOM 419 O VAL A 33 4.972 -6.854 7.084 1.00 0.00 O ATOM 420 CB VAL A 33 6.068 -4.111 5.541 1.00 0.00 C ATOM 421 CG1 VAL A 33 6.269 -3.776 4.062 1.00 0.00 C ATOM 422 CG2 VAL A 33 4.605 -3.928 5.952 1.00 0.00 C ATOM 0 H VAL A 33 5.264 -6.691 4.674 1.00 0.00 H new ATOM 0 HA VAL A 33 7.629 -5.465 6.002 1.00 0.00 H new ATOM 0 HB VAL A 33 6.669 -3.415 6.126 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.918 -2.763 3.867 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.328 -3.847 3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.705 -4.479 3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.286 -2.912 5.720 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.982 -4.637 5.406 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.503 -4.105 7.023 1.00 0.00 H new ATOM 432 N GLU A 34 6.538 -5.718 8.256 1.00 0.00 N ATOM 433 CA GLU A 34 6.068 -6.182 9.549 1.00 0.00 C ATOM 434 C GLU A 34 4.821 -5.403 9.971 1.00 0.00 C ATOM 435 O GLU A 34 4.388 -4.490 9.270 1.00 0.00 O ATOM 436 CB GLU A 34 7.169 -6.069 10.606 1.00 0.00 C ATOM 437 CG GLU A 34 7.774 -4.664 10.619 1.00 0.00 C ATOM 438 CD GLU A 34 7.706 -4.050 12.019 1.00 0.00 C ATOM 439 OE1 GLU A 34 8.096 -4.762 12.970 1.00 0.00 O ATOM 440 OE2 GLU A 34 7.265 -2.884 12.106 1.00 0.00 O ATOM 0 H GLU A 34 7.342 -5.092 8.294 1.00 0.00 H new ATOM 0 HA GLU A 34 5.802 -7.235 9.460 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.760 -6.302 11.589 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.949 -6.803 10.404 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.811 -4.708 10.287 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.240 -4.028 9.913 1.00 0.00 H new ATOM 445 N ASP A 35 4.277 -5.793 11.115 1.00 0.00 N ATOM 446 CA ASP A 35 3.088 -5.142 11.639 1.00 0.00 C ATOM 447 C ASP A 35 3.301 -3.627 11.643 1.00 0.00 C ATOM 448 O ASP A 35 4.305 -3.139 12.157 1.00 0.00 O ATOM 449 CB ASP A 35 2.806 -5.584 13.076 1.00 0.00 C ATOM 450 CG ASP A 35 1.809 -4.709 13.838 1.00 0.00 C ATOM 451 OD1 ASP A 35 0.700 -4.509 13.296 1.00 0.00 O ATOM 452 OD2 ASP A 35 2.178 -4.260 14.944 1.00 0.00 O ATOM 0 H ASP A 35 4.638 -6.552 11.694 1.00 0.00 H new ATOM 0 HA ASP A 35 2.245 -5.418 11.005 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.429 -6.607 13.058 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.747 -5.600 13.626 1.00 0.00 H new ATOM 456 N GLY A 36 2.339 -2.925 11.063 1.00 0.00 N ATOM 457 CA GLY A 36 2.407 -1.476 10.994 1.00 0.00 C ATOM 458 C GLY A 36 3.718 -1.019 10.348 1.00 0.00 C ATOM 459 O GLY A 36 4.316 -0.034 10.778 1.00 0.00 O ATOM 0 H GLY A 36 1.508 -3.333 10.636 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.562 -1.096 10.420 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.326 -1.056 11.997 1.00 0.00 H new ATOM 463 N GLY A 37 4.127 -1.759 9.328 1.00 0.00 N ATOM 464 CA GLY A 37 5.355 -1.443 8.620 1.00 0.00 C ATOM 465 C GLY A 37 5.271 -0.062 7.964 1.00 0.00 C ATOM 466 O GLY A 37 4.323 0.226 7.237 1.00 0.00 O ATOM 0 H GLY A 37 3.629 -2.577 8.975 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.196 -1.470 9.313 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.545 -2.200 7.859 1.00 0.00 H new ATOM 470 N HIS A 38 6.276 0.754 8.247 1.00 0.00 N ATOM 471 CA HIS A 38 6.328 2.097 7.694 1.00 0.00 C ATOM 472 C HIS A 38 7.368 2.150 6.573 1.00 0.00 C ATOM 473 O HIS A 38 8.417 1.515 6.663 1.00 0.00 O ATOM 474 CB HIS A 38 6.588 3.127 8.794 1.00 0.00 C ATOM 475 CG HIS A 38 7.280 4.379 8.311 1.00 0.00 C ATOM 476 ND1 HIS A 38 8.658 4.512 8.284 1.00 0.00 N ATOM 477 CD2 HIS A 38 6.772 5.552 7.837 1.00 0.00 C ATOM 478 CE1 HIS A 38 8.953 5.714 7.813 1.00 0.00 C ATOM 479 NE2 HIS A 38 7.783 6.357 7.538 1.00 0.00 N ATOM 0 H HIS A 38 7.061 0.511 8.852 1.00 0.00 H new ATOM 0 HA HIS A 38 5.362 2.353 7.258 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.638 3.403 9.251 1.00 0.00 H new ATOM 0 HB3 HIS A 38 7.195 2.666 9.573 1.00 0.00 H new ATOM 0 HD2 HIS A 38 5.724 5.786 7.724 1.00 0.00 H new ATOM 0 HE1 HIS A 38 9.946 6.114 7.672 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.699 7.302 7.164 1.00 0.00 H new ATOM 486 N VAL A 39 7.040 2.915 5.541 1.00 0.00 N ATOM 487 CA VAL A 39 7.931 3.060 4.404 1.00 0.00 C ATOM 488 C VAL A 39 7.639 4.385 3.698 1.00 0.00 C ATOM 489 O VAL A 39 6.785 5.152 4.139 1.00 0.00 O ATOM 490 CB VAL A 39 7.803 1.848 3.479 1.00 0.00 C ATOM 491 CG1 VAL A 39 8.581 0.653 4.030 1.00 0.00 C ATOM 492 CG2 VAL A 39 6.333 1.488 3.250 1.00 0.00 C ATOM 0 H VAL A 39 6.169 3.441 5.470 1.00 0.00 H new ATOM 0 HA VAL A 39 8.969 3.090 4.735 1.00 0.00 H new ATOM 0 HB VAL A 39 8.238 2.114 2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.473 -0.195 3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.635 0.915 4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.190 0.386 5.012 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.269 0.623 2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.864 1.251 4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.818 2.333 2.793 1.00 0.00 H new ATOM 502 N GLU A 40 8.365 4.614 2.613 1.00 0.00 N ATOM 503 CA GLU A 40 8.193 5.833 1.840 1.00 0.00 C ATOM 504 C GLU A 40 7.504 5.526 0.510 1.00 0.00 C ATOM 505 O GLU A 40 7.468 4.375 0.076 1.00 0.00 O ATOM 506 CB GLU A 40 9.535 6.532 1.615 1.00 0.00 C ATOM 507 CG GLU A 40 10.376 5.785 0.578 1.00 0.00 C ATOM 508 CD GLU A 40 11.868 6.049 0.787 1.00 0.00 C ATOM 509 OE1 GLU A 40 12.308 5.927 1.950 1.00 0.00 O ATOM 510 OE2 GLU A 40 12.534 6.369 -0.221 1.00 0.00 O ATOM 0 H GLU A 40 9.074 3.976 2.251 1.00 0.00 H new ATOM 0 HA GLU A 40 7.557 6.513 2.406 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.364 7.555 1.281 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.081 6.591 2.557 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.179 4.715 0.648 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.085 6.098 -0.425 1.00 0.00 H new ATOM 515 N ALA A 41 6.974 6.576 -0.101 1.00 0.00 N ATOM 516 CA ALA A 41 6.288 6.432 -1.374 1.00 0.00 C ATOM 517 C ALA A 41 7.303 6.056 -2.456 1.00 0.00 C ATOM 518 O ALA A 41 7.926 6.929 -3.058 1.00 0.00 O ATOM 519 CB ALA A 41 5.542 7.728 -1.701 1.00 0.00 C ATOM 0 H ALA A 41 7.006 7.529 0.262 1.00 0.00 H new ATOM 0 HA ALA A 41 5.548 5.633 -1.323 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.027 7.621 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.813 7.936 -0.917 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.253 8.552 -1.763 1.00 0.00 H new ATOM 525 N GLY A 42 7.436 4.755 -2.670 1.00 0.00 N ATOM 526 CA GLY A 42 8.364 4.252 -3.668 1.00 0.00 C ATOM 527 C GLY A 42 8.799 2.822 -3.342 1.00 0.00 C ATOM 528 O GLY A 42 9.185 2.068 -4.234 1.00 0.00 O ATOM 0 H GLY A 42 6.916 4.034 -2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.895 4.278 -4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.239 4.900 -3.715 1.00 0.00 H new ATOM 532 N SER A 43 8.722 2.492 -2.061 1.00 0.00 N ATOM 533 CA SER A 43 9.103 1.165 -1.606 1.00 0.00 C ATOM 534 C SER A 43 7.971 0.172 -1.882 1.00 0.00 C ATOM 535 O SER A 43 6.954 0.534 -2.472 1.00 0.00 O ATOM 536 CB SER A 43 9.451 1.173 -0.116 1.00 0.00 C ATOM 537 OG SER A 43 9.569 -0.146 0.411 1.00 0.00 O ATOM 0 H SER A 43 8.402 3.120 -1.324 1.00 0.00 H new ATOM 0 HA SER A 43 9.991 0.856 -2.157 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.388 1.709 0.035 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.682 1.716 0.433 1.00 0.00 H new ATOM 0 HG SER A 43 9.793 -0.099 1.364 1.00 0.00 H new ATOM 542 N SER A 44 8.186 -1.058 -1.441 1.00 0.00 N ATOM 543 CA SER A 44 7.198 -2.105 -1.633 1.00 0.00 C ATOM 544 C SER A 44 6.711 -2.620 -0.277 1.00 0.00 C ATOM 545 O SER A 44 7.516 -2.895 0.612 1.00 0.00 O ATOM 546 CB SER A 44 7.768 -3.256 -2.464 1.00 0.00 C ATOM 547 OG SER A 44 8.153 -4.362 -1.652 1.00 0.00 O ATOM 0 H SER A 44 9.030 -1.353 -0.951 1.00 0.00 H new ATOM 0 HA SER A 44 6.354 -1.682 -2.179 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.024 -3.582 -3.191 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.631 -2.903 -3.028 1.00 0.00 H new ATOM 0 HG SER A 44 8.510 -5.076 -2.220 1.00 0.00 H new ATOM 552 N TYR A 45 5.395 -2.735 -0.161 1.00 0.00 N ATOM 553 CA TYR A 45 4.793 -3.213 1.072 1.00 0.00 C ATOM 554 C TYR A 45 4.080 -4.548 0.852 1.00 0.00 C ATOM 555 O TYR A 45 3.797 -5.270 1.808 1.00 0.00 O ATOM 556 CB TYR A 45 3.760 -2.156 1.473 1.00 0.00 C ATOM 557 CG TYR A 45 2.415 -2.298 0.758 1.00 0.00 C ATOM 558 CD1 TYR A 45 1.573 -3.345 1.073 1.00 0.00 C ATOM 559 CD2 TYR A 45 2.045 -1.380 -0.204 1.00 0.00 C ATOM 560 CE1 TYR A 45 0.307 -3.477 0.400 1.00 0.00 C ATOM 561 CE2 TYR A 45 0.779 -1.513 -0.877 1.00 0.00 C ATOM 562 CZ TYR A 45 -0.027 -2.556 -0.542 1.00 0.00 C ATOM 563 OH TYR A 45 -1.223 -2.682 -1.178 1.00 0.00 O ATOM 0 H TYR A 45 4.730 -2.506 -0.900 1.00 0.00 H new ATOM 0 HA TYR A 45 5.554 -3.366 1.837 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.596 -2.213 2.549 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.168 -1.167 1.265 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.863 -4.065 1.824 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.705 -0.562 -0.452 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.363 -4.290 0.639 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.476 -0.801 -1.630 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.328 -1.953 -1.824 1.00 0.00 H new ATOM 572 N ALA A 46 3.809 -4.837 -0.413 1.00 0.00 N ATOM 573 CA ALA A 46 3.133 -6.073 -0.770 1.00 0.00 C ATOM 574 C ALA A 46 3.418 -6.398 -2.237 1.00 0.00 C ATOM 575 O ALA A 46 4.180 -5.692 -2.897 1.00 0.00 O ATOM 576 CB ALA A 46 1.637 -5.940 -0.481 1.00 0.00 C ATOM 0 H ALA A 46 4.045 -4.237 -1.203 1.00 0.00 H new ATOM 0 HA ALA A 46 3.507 -6.902 -0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.131 -6.867 -0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.488 -5.739 0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.225 -5.119 -1.068 1.00 0.00 H new ATOM 582 N GLU A 47 2.790 -7.467 -2.705 1.00 0.00 N ATOM 583 CA GLU A 47 2.966 -7.894 -4.083 1.00 0.00 C ATOM 584 C GLU A 47 1.667 -8.496 -4.622 1.00 0.00 C ATOM 585 O GLU A 47 0.709 -8.687 -3.875 1.00 0.00 O ATOM 586 CB GLU A 47 4.123 -8.887 -4.205 1.00 0.00 C ATOM 587 CG GLU A 47 5.421 -8.288 -3.661 1.00 0.00 C ATOM 588 CD GLU A 47 6.642 -8.983 -4.264 1.00 0.00 C ATOM 589 OE1 GLU A 47 6.632 -9.176 -5.500 1.00 0.00 O ATOM 590 OE2 GLU A 47 7.559 -9.304 -3.478 1.00 0.00 O ATOM 0 H GLU A 47 2.159 -8.050 -2.155 1.00 0.00 H new ATOM 0 HA GLU A 47 3.215 -7.020 -4.685 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.883 -9.799 -3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.258 -9.167 -5.250 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.456 -7.222 -3.887 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.443 -8.384 -2.575 1.00 0.00 H new ATOM 595 N MET A 48 1.675 -8.779 -5.917 1.00 0.00 N ATOM 596 CA MET A 48 0.510 -9.356 -6.564 1.00 0.00 C ATOM 597 C MET A 48 0.920 -10.246 -7.740 1.00 0.00 C ATOM 598 O MET A 48 2.032 -10.131 -8.252 1.00 0.00 O ATOM 599 CB MET A 48 -0.402 -8.235 -7.067 1.00 0.00 C ATOM 600 CG MET A 48 0.279 -7.430 -8.176 1.00 0.00 C ATOM 601 SD MET A 48 -0.496 -5.830 -8.332 1.00 0.00 S ATOM 602 CE MET A 48 -2.141 -6.327 -8.815 1.00 0.00 C ATOM 0 H MET A 48 2.471 -8.619 -6.535 1.00 0.00 H new ATOM 0 HA MET A 48 -0.020 -9.969 -5.835 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.334 -8.660 -7.441 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.662 -7.574 -6.240 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.339 -7.310 -7.951 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.213 -7.969 -9.121 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.798 -5.457 -8.818 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.111 -6.762 -9.814 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.520 -7.066 -8.109 1.00 0.00 H new ATOM 610 N GLU A 49 -0.001 -11.114 -8.132 1.00 0.00 N ATOM 611 CA GLU A 49 0.250 -12.024 -9.238 1.00 0.00 C ATOM 612 C GLU A 49 -0.765 -11.790 -10.358 1.00 0.00 C ATOM 613 O GLU A 49 -1.929 -12.168 -10.234 1.00 0.00 O ATOM 614 CB GLU A 49 0.223 -13.479 -8.766 1.00 0.00 C ATOM 615 CG GLU A 49 0.331 -14.441 -9.951 1.00 0.00 C ATOM 616 CD GLU A 49 0.730 -15.843 -9.486 1.00 0.00 C ATOM 617 OE1 GLU A 49 1.349 -15.926 -8.403 1.00 0.00 O ATOM 618 OE2 GLU A 49 0.408 -16.799 -10.224 1.00 0.00 O ATOM 0 H GLU A 49 -0.922 -11.207 -7.704 1.00 0.00 H new ATOM 0 HA GLU A 49 1.247 -11.823 -9.631 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.046 -13.656 -8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.701 -13.671 -8.220 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.624 -14.486 -10.475 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.068 -14.067 -10.662 1.00 0.00 H new ATOM 623 N VAL A 50 -0.287 -11.171 -11.426 1.00 0.00 N ATOM 624 CA VAL A 50 -1.138 -10.884 -12.569 1.00 0.00 C ATOM 625 C VAL A 50 -0.447 -11.361 -13.847 1.00 0.00 C ATOM 626 O VAL A 50 0.764 -11.208 -13.997 1.00 0.00 O ATOM 627 CB VAL A 50 -1.489 -9.394 -12.598 1.00 0.00 C ATOM 628 CG1 VAL A 50 -0.229 -8.533 -12.484 1.00 0.00 C ATOM 629 CG2 VAL A 50 -2.281 -9.043 -13.860 1.00 0.00 C ATOM 0 H VAL A 50 0.679 -10.860 -11.525 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.081 -11.425 -12.489 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.120 -9.180 -11.736 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.505 -7.479 -12.507 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.279 -8.754 -11.546 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.438 -8.752 -13.318 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.518 -7.979 -13.857 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.685 -9.279 -14.741 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.205 -9.621 -13.882 1.00 0.00 H new ATOM 639 N MET A 51 -1.248 -11.929 -14.738 1.00 0.00 N ATOM 640 CA MET A 51 -0.729 -12.430 -15.999 1.00 0.00 C ATOM 641 C MET A 51 0.413 -13.422 -15.766 1.00 0.00 C ATOM 642 O MET A 51 1.380 -13.450 -16.527 1.00 0.00 O ATOM 643 CB MET A 51 -0.224 -11.259 -16.844 1.00 0.00 C ATOM 644 CG MET A 51 -1.365 -10.629 -17.645 1.00 0.00 C ATOM 645 SD MET A 51 -1.026 -10.755 -19.394 1.00 0.00 S ATOM 646 CE MET A 51 -1.191 -12.520 -19.613 1.00 0.00 C ATOM 0 H MET A 51 -2.252 -12.053 -14.611 1.00 0.00 H new ATOM 0 HA MET A 51 -1.533 -12.947 -16.522 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.229 -10.508 -16.197 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.554 -11.605 -17.524 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.304 -11.130 -17.411 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.483 -9.583 -17.364 1.00 0.00 H new ATOM 0 HE1 MET A 51 -1.187 -12.757 -20.677 1.00 0.00 H new ATOM 0 HE2 MET A 51 -0.358 -13.027 -19.125 1.00 0.00 H new ATOM 0 HE3 MET A 51 -2.129 -12.855 -19.170 1.00 0.00 H new ATOM 654 N LYS A 52 0.263 -14.211 -14.714 1.00 0.00 N ATOM 655 CA LYS A 52 1.269 -15.203 -14.372 1.00 0.00 C ATOM 656 C LYS A 52 2.567 -14.492 -13.983 1.00 0.00 C ATOM 657 O LYS A 52 3.622 -15.119 -13.904 1.00 0.00 O ATOM 658 CB LYS A 52 1.437 -16.210 -15.511 1.00 0.00 C ATOM 659 CG LYS A 52 0.173 -17.054 -15.688 1.00 0.00 C ATOM 660 CD LYS A 52 0.487 -18.366 -16.410 1.00 0.00 C ATOM 661 CE LYS A 52 -0.709 -19.320 -16.356 1.00 0.00 C ATOM 662 NZ LYS A 52 -1.826 -18.797 -17.172 1.00 0.00 N ATOM 0 H LYS A 52 -0.540 -14.184 -14.086 1.00 0.00 H new ATOM 0 HA LYS A 52 0.952 -15.786 -13.507 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.659 -15.682 -16.438 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.287 -16.860 -15.304 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.266 -17.267 -14.713 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.568 -16.491 -16.255 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.747 -18.161 -17.449 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.355 -18.839 -15.952 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.414 -20.304 -16.721 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.034 -19.447 -15.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.617 -19.472 -17.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.140 -17.884 -16.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.507 -18.666 -18.153 1.00 0.00 H new ATOM 672 N MET A 53 2.446 -13.194 -13.749 1.00 0.00 N ATOM 673 CA MET A 53 3.596 -12.392 -13.370 1.00 0.00 C ATOM 674 C MET A 53 3.408 -11.788 -11.976 1.00 0.00 C ATOM 675 O MET A 53 2.346 -11.251 -11.667 1.00 0.00 O ATOM 676 CB MET A 53 3.794 -11.269 -14.390 1.00 0.00 C ATOM 677 CG MET A 53 3.680 -11.801 -15.820 1.00 0.00 C ATOM 678 SD MET A 53 4.924 -11.044 -16.853 1.00 0.00 S ATOM 679 CE MET A 53 6.007 -12.440 -17.107 1.00 0.00 C ATOM 0 H MET A 53 1.569 -12.678 -13.815 1.00 0.00 H new ATOM 0 HA MET A 53 4.475 -13.037 -13.351 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.049 -10.490 -14.228 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.772 -10.810 -14.246 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.801 -12.884 -15.825 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.687 -11.590 -16.218 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.845 -12.141 -17.737 1.00 0.00 H new ATOM 0 HE2 MET A 53 6.382 -12.789 -16.145 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.456 -13.244 -17.595 1.00 0.00 H new ATOM 687 N ILE A 54 4.457 -11.897 -11.174 1.00 0.00 N ATOM 688 CA ILE A 54 4.420 -11.368 -9.820 1.00 0.00 C ATOM 689 C ILE A 54 4.896 -9.914 -9.832 1.00 0.00 C ATOM 690 O ILE A 54 6.050 -9.637 -10.155 1.00 0.00 O ATOM 691 CB ILE A 54 5.217 -12.267 -8.873 1.00 0.00 C ATOM 692 CG1 ILE A 54 4.841 -13.738 -9.067 1.00 0.00 C ATOM 693 CG2 ILE A 54 5.048 -11.820 -7.420 1.00 0.00 C ATOM 694 CD1 ILE A 54 3.362 -13.971 -8.753 1.00 0.00 C ATOM 0 H ILE A 54 5.337 -12.343 -11.435 1.00 0.00 H new ATOM 0 HA ILE A 54 3.399 -11.367 -9.439 1.00 0.00 H new ATOM 0 HB ILE A 54 6.274 -12.169 -9.119 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.050 -14.038 -10.094 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.457 -14.363 -8.420 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.625 -12.476 -6.768 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.404 -10.796 -7.311 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.995 -11.870 -7.144 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.121 -15.024 -8.899 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.161 -13.692 -7.718 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.749 -13.363 -9.418 1.00 0.00 H new ATOM 705 N MET A 55 3.981 -9.023 -9.476 1.00 0.00 N ATOM 706 CA MET A 55 4.293 -7.604 -9.443 1.00 0.00 C ATOM 707 C MET A 55 4.313 -7.082 -8.005 1.00 0.00 C ATOM 708 O MET A 55 3.483 -7.474 -7.186 1.00 0.00 O ATOM 709 CB MET A 55 3.248 -6.833 -10.252 1.00 0.00 C ATOM 710 CG MET A 55 3.534 -5.330 -10.224 1.00 0.00 C ATOM 711 SD MET A 55 4.785 -4.924 -11.430 1.00 0.00 S ATOM 712 CE MET A 55 4.955 -3.174 -11.124 1.00 0.00 C ATOM 0 H MET A 55 3.025 -9.256 -9.208 1.00 0.00 H new ATOM 0 HA MET A 55 5.282 -7.457 -9.877 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.246 -7.188 -11.283 1.00 0.00 H new ATOM 0 HB3 MET A 55 2.254 -7.026 -9.847 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.621 -4.774 -10.434 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.866 -5.033 -9.229 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.704 -2.758 -11.798 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.998 -2.680 -11.295 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.267 -3.014 -10.092 1.00 0.00 H new ATOM 720 N THR A 56 5.272 -6.206 -7.741 1.00 0.00 N ATOM 721 CA THR A 56 5.411 -5.626 -6.416 1.00 0.00 C ATOM 722 C THR A 56 4.416 -4.479 -6.228 1.00 0.00 C ATOM 723 O THR A 56 4.098 -3.767 -7.179 1.00 0.00 O ATOM 724 CB THR A 56 6.870 -5.199 -6.238 1.00 0.00 C ATOM 725 OG1 THR A 56 7.603 -6.134 -7.025 1.00 0.00 O ATOM 726 CG2 THR A 56 7.378 -5.433 -4.813 1.00 0.00 C ATOM 0 H THR A 56 5.960 -5.884 -8.422 1.00 0.00 H new ATOM 0 HA THR A 56 5.172 -6.353 -5.640 1.00 0.00 H new ATOM 0 HB THR A 56 6.974 -4.144 -6.492 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.560 -5.930 -6.968 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.418 -5.114 -4.740 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.772 -4.859 -4.112 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.306 -6.493 -4.571 1.00 0.00 H new ATOM 734 N LEU A 57 3.951 -4.338 -4.995 1.00 0.00 N ATOM 735 CA LEU A 57 2.998 -3.290 -4.670 1.00 0.00 C ATOM 736 C LEU A 57 3.699 -2.207 -3.846 1.00 0.00 C ATOM 737 O LEU A 57 4.184 -2.474 -2.748 1.00 0.00 O ATOM 738 CB LEU A 57 1.764 -3.881 -3.986 1.00 0.00 C ATOM 739 CG LEU A 57 0.551 -4.125 -4.886 1.00 0.00 C ATOM 740 CD1 LEU A 57 -0.597 -4.759 -4.097 1.00 0.00 C ATOM 741 CD2 LEU A 57 0.122 -2.837 -5.588 1.00 0.00 C ATOM 0 H LEU A 57 4.216 -4.932 -4.209 1.00 0.00 H new ATOM 0 HA LEU A 57 2.632 -2.813 -5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.047 -4.828 -3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.464 -3.212 -3.180 1.00 0.00 H new ATOM 0 HG LEU A 57 0.838 -4.834 -5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.447 -4.922 -4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.271 -5.713 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.892 -4.094 -3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.742 -3.038 -6.221 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.141 -2.087 -4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.943 -2.466 -6.201 1.00 0.00 H new ATOM 752 N ASN A 58 3.728 -1.007 -4.408 1.00 0.00 N ATOM 753 CA ASN A 58 4.361 0.117 -3.740 1.00 0.00 C ATOM 754 C ASN A 58 3.282 1.032 -3.159 1.00 0.00 C ATOM 755 O ASN A 58 2.106 0.901 -3.494 1.00 0.00 O ATOM 756 CB ASN A 58 5.201 0.938 -4.719 1.00 0.00 C ATOM 757 CG ASN A 58 5.898 0.033 -5.738 1.00 0.00 C ATOM 758 OD1 ASN A 58 5.956 -1.177 -5.593 1.00 0.00 O ATOM 759 ND2 ASN A 58 6.422 0.686 -6.771 1.00 0.00 N ATOM 0 H ASN A 58 3.323 -0.789 -5.319 1.00 0.00 H new ATOM 0 HA ASN A 58 5.006 -0.277 -2.955 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.564 1.654 -5.239 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.946 1.514 -4.170 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.909 0.172 -7.505 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.337 1.701 -6.829 1.00 0.00 H new ATOM 765 N VAL A 59 3.720 1.939 -2.298 1.00 0.00 N ATOM 766 CA VAL A 59 2.806 2.876 -1.668 1.00 0.00 C ATOM 767 C VAL A 59 2.851 4.209 -2.419 1.00 0.00 C ATOM 768 O VAL A 59 3.926 4.753 -2.661 1.00 0.00 O ATOM 769 CB VAL A 59 3.143 3.017 -0.182 1.00 0.00 C ATOM 770 CG1 VAL A 59 3.079 1.660 0.524 1.00 0.00 C ATOM 771 CG2 VAL A 59 4.512 3.672 0.011 1.00 0.00 C ATOM 0 H VAL A 59 4.696 2.045 -2.022 1.00 0.00 H new ATOM 0 HA VAL A 59 1.782 2.506 -1.722 1.00 0.00 H new ATOM 0 HB VAL A 59 2.395 3.667 0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.322 1.787 1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.074 1.248 0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.795 0.977 0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.726 3.760 1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.279 3.060 -0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.508 4.664 -0.441 1.00 0.00 H new ATOM 781 N GLN A 60 1.668 4.695 -2.767 1.00 0.00 N ATOM 782 CA GLN A 60 1.557 5.953 -3.484 1.00 0.00 C ATOM 783 C GLN A 60 2.115 7.099 -2.637 1.00 0.00 C ATOM 784 O GLN A 60 2.681 8.051 -3.170 1.00 0.00 O ATOM 785 CB GLN A 60 0.109 6.227 -3.892 1.00 0.00 C ATOM 786 CG GLN A 60 -0.012 6.402 -5.407 1.00 0.00 C ATOM 787 CD GLN A 60 0.105 7.876 -5.800 1.00 0.00 C ATOM 788 OE1 GLN A 60 0.408 8.738 -4.992 1.00 0.00 O ATOM 789 NE2 GLN A 60 -0.153 8.117 -7.082 1.00 0.00 N ATOM 0 H GLN A 60 0.778 4.239 -2.565 1.00 0.00 H new ATOM 0 HA GLN A 60 2.149 5.881 -4.397 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.526 5.403 -3.566 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.250 7.125 -3.389 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.767 5.826 -5.907 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.969 6.006 -5.747 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.401 7.349 -7.705 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.103 9.070 -7.442 1.00 0.00 H new ATOM 796 N GLU A 61 1.936 6.967 -1.331 1.00 0.00 N ATOM 797 CA GLU A 61 2.413 7.980 -0.405 1.00 0.00 C ATOM 798 C GLU A 61 2.849 7.333 0.910 1.00 0.00 C ATOM 799 O GLU A 61 2.145 6.480 1.450 1.00 0.00 O ATOM 800 CB GLU A 61 1.346 9.049 -0.163 1.00 0.00 C ATOM 801 CG GLU A 61 1.007 9.789 -1.458 1.00 0.00 C ATOM 802 CD GLU A 61 2.144 10.725 -1.869 1.00 0.00 C ATOM 803 OE1 GLU A 61 3.219 10.191 -2.224 1.00 0.00 O ATOM 804 OE2 GLU A 61 1.916 11.953 -1.819 1.00 0.00 O ATOM 0 H GLU A 61 1.467 6.174 -0.892 1.00 0.00 H new ATOM 0 HA GLU A 61 3.278 8.472 -0.850 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.446 8.585 0.241 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.701 9.759 0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.819 9.069 -2.254 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.090 10.362 -1.324 1.00 0.00 H new ATOM 809 N ARG A 62 4.008 7.761 1.389 1.00 0.00 N ATOM 810 CA ARG A 62 4.546 7.233 2.631 1.00 0.00 C ATOM 811 C ARG A 62 3.415 6.955 3.624 1.00 0.00 C ATOM 812 O ARG A 62 2.361 7.584 3.560 1.00 0.00 O ATOM 813 CB ARG A 62 5.539 8.212 3.261 1.00 0.00 C ATOM 814 CG ARG A 62 4.908 9.595 3.439 1.00 0.00 C ATOM 815 CD ARG A 62 5.911 10.702 3.110 1.00 0.00 C ATOM 816 NE ARG A 62 6.158 10.746 1.652 1.00 0.00 N ATOM 817 CZ ARG A 62 7.133 11.461 1.074 1.00 0.00 C ATOM 818 NH1 ARG A 62 7.960 12.196 1.830 1.00 0.00 N ATOM 819 NH2 ARG A 62 7.281 11.440 -0.257 1.00 0.00 N ATOM 0 H ARG A 62 4.590 8.468 0.939 1.00 0.00 H new ATOM 0 HA ARG A 62 5.067 6.304 2.398 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.867 7.831 4.228 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.426 8.291 2.632 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.035 9.686 2.792 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.558 9.710 4.465 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.528 11.664 3.451 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.847 10.525 3.640 1.00 0.00 H new ATOM 0 HE ARG A 62 5.547 10.197 1.048 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.847 12.211 2.844 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.703 12.741 1.392 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.651 10.880 -0.831 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.023 11.984 -0.696 1.00 0.00 H new ATOM 830 N GLY A 63 3.674 6.012 4.517 1.00 0.00 N ATOM 831 CA GLY A 63 2.691 5.644 5.522 1.00 0.00 C ATOM 832 C GLY A 63 2.870 4.186 5.955 1.00 0.00 C ATOM 833 O GLY A 63 3.588 3.427 5.307 1.00 0.00 O ATOM 0 H GLY A 63 4.550 5.492 4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.788 6.299 6.388 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.687 5.788 5.124 1.00 0.00 H new ATOM 837 N ARG A 64 2.203 3.840 7.046 1.00 0.00 N ATOM 838 CA ARG A 64 2.278 2.488 7.572 1.00 0.00 C ATOM 839 C ARG A 64 1.253 1.590 6.878 1.00 0.00 C ATOM 840 O ARG A 64 0.080 1.948 6.772 1.00 0.00 O ATOM 841 CB ARG A 64 2.024 2.469 9.081 1.00 0.00 C ATOM 842 CG ARG A 64 3.279 2.883 9.853 1.00 0.00 C ATOM 843 CD ARG A 64 2.964 3.099 11.335 1.00 0.00 C ATOM 844 NE ARG A 64 3.891 2.303 12.170 1.00 0.00 N ATOM 845 CZ ARG A 64 4.131 2.546 13.467 1.00 0.00 C ATOM 846 NH1 ARG A 64 3.515 3.564 14.083 1.00 0.00 N ATOM 847 NH2 ARG A 64 4.988 1.772 14.146 1.00 0.00 N ATOM 0 H ARG A 64 1.608 4.473 7.580 1.00 0.00 H new ATOM 0 HA ARG A 64 3.283 2.113 7.379 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.204 3.144 9.324 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.716 1.470 9.389 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.045 2.114 9.748 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.687 3.800 9.427 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.054 4.156 11.584 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.934 2.809 11.543 1.00 0.00 H new ATOM 0 HE ARG A 64 4.378 1.521 11.732 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.864 4.154 13.566 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.697 3.749 15.069 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.458 0.998 13.677 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.171 1.957 15.132 1.00 0.00 H new ATOM 858 N VAL A 65 1.731 0.441 6.423 1.00 0.00 N ATOM 859 CA VAL A 65 0.870 -0.511 5.743 1.00 0.00 C ATOM 860 C VAL A 65 0.149 -1.374 6.782 1.00 0.00 C ATOM 861 O VAL A 65 0.741 -1.765 7.787 1.00 0.00 O ATOM 862 CB VAL A 65 1.687 -1.334 4.745 1.00 0.00 C ATOM 863 CG1 VAL A 65 0.822 -2.413 4.089 1.00 0.00 C ATOM 864 CG2 VAL A 65 2.334 -0.434 3.691 1.00 0.00 C ATOM 0 H VAL A 65 2.704 0.148 6.512 1.00 0.00 H new ATOM 0 HA VAL A 65 0.105 0.009 5.166 1.00 0.00 H new ATOM 0 HB VAL A 65 2.486 -1.832 5.295 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.426 -2.984 3.384 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.430 -3.081 4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.007 -1.943 3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.909 -1.044 2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.558 0.105 3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.997 0.280 4.180 1.00 0.00 H new ATOM 874 N LYS A 66 -1.117 -1.645 6.502 1.00 0.00 N ATOM 875 CA LYS A 66 -1.925 -2.454 7.399 1.00 0.00 C ATOM 876 C LYS A 66 -2.621 -3.556 6.598 1.00 0.00 C ATOM 877 O LYS A 66 -2.740 -3.460 5.377 1.00 0.00 O ATOM 878 CB LYS A 66 -2.887 -1.572 8.197 1.00 0.00 C ATOM 879 CG LYS A 66 -2.755 -1.834 9.699 1.00 0.00 C ATOM 880 CD LYS A 66 -3.035 -0.563 10.503 1.00 0.00 C ATOM 881 CE LYS A 66 -3.860 -0.877 11.753 1.00 0.00 C ATOM 882 NZ LYS A 66 -3.103 -1.768 12.662 1.00 0.00 N ATOM 0 H LYS A 66 -1.603 -1.319 5.667 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.294 -2.947 8.139 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.681 -0.522 7.988 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.912 -1.765 7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.451 -2.618 9.998 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.751 -2.196 9.922 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.093 -0.096 10.792 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.569 0.155 9.881 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.115 0.048 12.270 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.799 -1.352 11.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.599 -1.836 13.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.028 -2.714 12.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.150 -1.380 12.814 1.00 0.00 H new ATOM 892 N TYR A 67 -3.062 -4.577 7.317 1.00 0.00 N ATOM 893 CA TYR A 67 -3.744 -5.696 6.688 1.00 0.00 C ATOM 894 C TYR A 67 -5.255 -5.459 6.637 1.00 0.00 C ATOM 895 O TYR A 67 -5.891 -5.260 7.670 1.00 0.00 O ATOM 896 CB TYR A 67 -3.461 -6.913 7.572 1.00 0.00 C ATOM 897 CG TYR A 67 -4.641 -7.878 7.699 1.00 0.00 C ATOM 898 CD1 TYR A 67 -4.975 -8.702 6.644 1.00 0.00 C ATOM 899 CD2 TYR A 67 -5.372 -7.924 8.869 1.00 0.00 C ATOM 900 CE1 TYR A 67 -6.087 -9.610 6.764 1.00 0.00 C ATOM 901 CE2 TYR A 67 -6.483 -8.832 8.989 1.00 0.00 C ATOM 902 CZ TYR A 67 -6.785 -9.630 7.930 1.00 0.00 C ATOM 903 OH TYR A 67 -7.835 -10.488 8.043 1.00 0.00 O ATOM 0 H TYR A 67 -2.961 -4.653 8.329 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.395 -5.832 5.664 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.606 -7.453 7.166 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.178 -6.569 8.567 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.403 -8.666 5.729 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.111 -7.279 9.695 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.360 -10.260 5.946 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.063 -8.878 9.899 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.240 -10.395 8.931 1.00 0.00 H new ATOM 912 N ILE A 68 -5.784 -5.489 5.422 1.00 0.00 N ATOM 913 CA ILE A 68 -7.208 -5.280 5.222 1.00 0.00 C ATOM 914 C ILE A 68 -7.834 -6.559 4.662 1.00 0.00 C ATOM 915 O ILE A 68 -8.635 -7.208 5.331 1.00 0.00 O ATOM 916 CB ILE A 68 -7.452 -4.045 4.353 1.00 0.00 C ATOM 917 CG1 ILE A 68 -6.917 -2.782 5.032 1.00 0.00 C ATOM 918 CG2 ILE A 68 -8.931 -3.916 3.986 1.00 0.00 C ATOM 919 CD1 ILE A 68 -7.836 -2.344 6.174 1.00 0.00 C ATOM 0 H ILE A 68 -5.253 -5.655 4.567 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.699 -5.074 6.173 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.899 -4.168 3.422 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.915 -2.969 5.418 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.832 -1.979 4.300 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.077 -3.030 3.368 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.247 -4.800 3.433 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.525 -3.826 4.895 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.434 -1.445 6.640 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.831 -2.135 5.781 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.899 -3.140 6.916 1.00 0.00 H new ATOM 930 N LYS A 69 -7.442 -6.884 3.438 1.00 0.00 N ATOM 931 CA LYS A 69 -7.954 -8.074 2.780 1.00 0.00 C ATOM 932 C LYS A 69 -7.005 -9.245 3.043 1.00 0.00 C ATOM 933 O LYS A 69 -5.794 -9.057 3.144 1.00 0.00 O ATOM 934 CB LYS A 69 -8.197 -7.802 1.294 1.00 0.00 C ATOM 935 CG LYS A 69 -8.917 -6.467 1.092 1.00 0.00 C ATOM 936 CD LYS A 69 -10.401 -6.585 1.443 1.00 0.00 C ATOM 937 CE LYS A 69 -11.143 -7.430 0.406 1.00 0.00 C ATOM 938 NZ LYS A 69 -12.561 -7.014 0.317 1.00 0.00 N ATOM 0 H LYS A 69 -6.776 -6.344 2.885 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.924 -8.350 3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.246 -7.790 0.762 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.792 -8.609 0.865 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.452 -5.702 1.714 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.809 -6.145 0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.510 -7.035 2.430 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.847 -5.592 1.494 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.665 -7.324 -0.568 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.083 -8.484 0.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.050 -7.598 -0.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.018 -7.138 1.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.612 -6.014 0.037 1.00 0.00 H new ATOM 948 N ARG A 70 -7.592 -10.428 3.148 1.00 0.00 N ATOM 949 CA ARG A 70 -6.815 -11.630 3.398 1.00 0.00 C ATOM 950 C ARG A 70 -5.868 -11.904 2.227 1.00 0.00 C ATOM 951 O ARG A 70 -6.156 -11.528 1.091 1.00 0.00 O ATOM 952 CB ARG A 70 -7.725 -12.843 3.603 1.00 0.00 C ATOM 953 CG ARG A 70 -8.042 -13.046 5.086 1.00 0.00 C ATOM 954 CD ARG A 70 -7.431 -14.350 5.604 1.00 0.00 C ATOM 955 NE ARG A 70 -8.501 -15.260 6.070 1.00 0.00 N ATOM 956 CZ ARG A 70 -8.361 -16.588 6.185 1.00 0.00 C ATOM 957 NH1 ARG A 70 -7.196 -17.169 5.868 1.00 0.00 N ATOM 958 NH2 ARG A 70 -9.387 -17.334 6.618 1.00 0.00 N ATOM 0 H ARG A 70 -8.597 -10.580 3.064 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.237 -11.466 4.307 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.651 -12.706 3.045 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.242 -13.736 3.205 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.656 -12.205 5.662 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.122 -13.063 5.232 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.853 -14.829 4.814 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.741 -14.139 6.421 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.401 -14.851 6.319 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.415 -16.601 5.539 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.090 -18.180 5.956 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.273 -16.891 6.860 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.281 -18.345 6.706 1.00 0.00 H new ATOM 969 N PRO A 71 -4.731 -12.574 2.551 1.00 0.00 N ATOM 970 CA PRO A 71 -3.741 -12.901 1.539 1.00 0.00 C ATOM 971 C PRO A 71 -4.216 -14.063 0.664 1.00 0.00 C ATOM 972 O PRO A 71 -4.478 -15.155 1.165 1.00 0.00 O ATOM 973 CB PRO A 71 -2.475 -13.222 2.316 1.00 0.00 C ATOM 974 CG PRO A 71 -2.922 -13.515 3.740 1.00 0.00 C ATOM 975 CD PRO A 71 -4.357 -13.034 3.886 1.00 0.00 C ATOM 0 HA PRO A 71 -3.567 -12.082 0.841 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.959 -14.080 1.884 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.778 -12.384 2.290 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.854 -14.583 3.950 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.275 -13.008 4.455 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.011 -13.837 4.226 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.433 -12.230 4.618 1.00 0.00 H new ATOM 980 N GLY A 72 -4.313 -13.788 -0.628 1.00 0.00 N ATOM 981 CA GLY A 72 -4.752 -14.796 -1.578 1.00 0.00 C ATOM 982 C GLY A 72 -6.111 -14.431 -2.176 1.00 0.00 C ATOM 983 O GLY A 72 -6.795 -15.284 -2.740 1.00 0.00 O ATOM 0 H GLY A 72 -4.095 -12.881 -1.040 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.015 -14.895 -2.375 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.817 -15.764 -1.082 1.00 0.00 H new ATOM 987 N ALA A 73 -6.465 -13.163 -2.031 1.00 0.00 N ATOM 988 CA ALA A 73 -7.731 -12.674 -2.549 1.00 0.00 C ATOM 989 C ALA A 73 -7.589 -12.391 -4.046 1.00 0.00 C ATOM 990 O ALA A 73 -6.478 -12.248 -4.552 1.00 0.00 O ATOM 991 CB ALA A 73 -8.163 -11.437 -1.760 1.00 0.00 C ATOM 0 H ALA A 73 -5.896 -12.458 -1.561 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.511 -13.426 -2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.113 -11.071 -2.149 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.278 -11.698 -0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.406 -10.659 -1.860 1.00 0.00 H new ATOM 997 N VAL A 74 -8.732 -12.319 -4.714 1.00 0.00 N ATOM 998 CA VAL A 74 -8.749 -12.056 -6.142 1.00 0.00 C ATOM 999 C VAL A 74 -8.592 -10.553 -6.381 1.00 0.00 C ATOM 1000 O VAL A 74 -9.564 -9.803 -6.299 1.00 0.00 O ATOM 1001 CB VAL A 74 -10.023 -12.631 -6.765 1.00 0.00 C ATOM 1002 CG1 VAL A 74 -11.270 -12.065 -6.082 1.00 0.00 C ATOM 1003 CG2 VAL A 74 -10.060 -12.374 -8.273 1.00 0.00 C ATOM 0 H VAL A 74 -9.653 -12.438 -4.292 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.911 -12.552 -6.632 1.00 0.00 H new ATOM 0 HB VAL A 74 -10.015 -13.710 -6.609 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -12.162 -12.489 -6.543 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.253 -12.321 -5.023 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.285 -10.981 -6.193 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.975 -12.793 -8.691 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.034 -11.300 -8.460 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.197 -12.846 -8.744 1.00 0.00 H new ATOM 1013 N LEU A 75 -7.361 -10.157 -6.673 1.00 0.00 N ATOM 1014 CA LEU A 75 -7.065 -8.758 -6.925 1.00 0.00 C ATOM 1015 C LEU A 75 -7.757 -8.318 -8.217 1.00 0.00 C ATOM 1016 O LEU A 75 -7.634 -8.979 -9.247 1.00 0.00 O ATOM 1017 CB LEU A 75 -5.553 -8.522 -6.926 1.00 0.00 C ATOM 1018 CG LEU A 75 -5.029 -7.524 -5.892 1.00 0.00 C ATOM 1019 CD1 LEU A 75 -5.167 -6.087 -6.397 1.00 0.00 C ATOM 1020 CD2 LEU A 75 -5.717 -7.724 -4.539 1.00 0.00 C ATOM 0 H LEU A 75 -6.557 -10.782 -6.740 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.461 -8.135 -6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.056 -9.478 -6.763 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.260 -8.175 -7.917 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.966 -7.713 -5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.787 -5.398 -5.643 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.595 -5.968 -7.317 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.217 -5.869 -6.591 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.326 -7.002 -3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.791 -7.578 -4.652 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.524 -8.734 -4.178 1.00 0.00 H new ATOM 1031 N GLU A 76 -8.470 -7.206 -8.120 1.00 0.00 N ATOM 1032 CA GLU A 76 -9.182 -6.671 -9.268 1.00 0.00 C ATOM 1033 C GLU A 76 -8.827 -5.197 -9.472 1.00 0.00 C ATOM 1034 O GLU A 76 -8.487 -4.499 -8.518 1.00 0.00 O ATOM 1035 CB GLU A 76 -10.693 -6.855 -9.110 1.00 0.00 C ATOM 1036 CG GLU A 76 -11.258 -7.726 -10.233 1.00 0.00 C ATOM 1037 CD GLU A 76 -12.394 -8.614 -9.719 1.00 0.00 C ATOM 1038 OE1 GLU A 76 -13.514 -8.078 -9.578 1.00 0.00 O ATOM 1039 OE2 GLU A 76 -12.115 -9.809 -9.480 1.00 0.00 O ATOM 0 H GLU A 76 -8.570 -6.661 -7.264 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.873 -7.225 -10.154 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.908 -7.314 -8.145 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.184 -5.882 -9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.624 -7.092 -11.041 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.466 -8.348 -10.650 1.00 0.00 H new ATOM 1044 N ALA A 77 -8.920 -4.766 -10.722 1.00 0.00 N ATOM 1045 CA ALA A 77 -8.613 -3.388 -11.064 1.00 0.00 C ATOM 1046 C ALA A 77 -9.551 -2.455 -10.296 1.00 0.00 C ATOM 1047 O ALA A 77 -10.771 -2.564 -10.412 1.00 0.00 O ATOM 1048 CB ALA A 77 -8.717 -3.202 -12.579 1.00 0.00 C ATOM 0 H ALA A 77 -9.204 -5.348 -11.510 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.592 -3.140 -10.775 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.487 -2.168 -12.835 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.010 -3.865 -13.076 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.729 -3.440 -12.906 1.00 0.00 H new ATOM 1054 N GLY A 78 -8.947 -1.561 -9.527 1.00 0.00 N ATOM 1055 CA GLY A 78 -9.713 -0.611 -8.740 1.00 0.00 C ATOM 1056 C GLY A 78 -10.410 -1.304 -7.568 1.00 0.00 C ATOM 1057 O GLY A 78 -11.630 -1.227 -7.433 1.00 0.00 O ATOM 0 H GLY A 78 -7.935 -1.475 -9.432 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.053 0.171 -8.364 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.455 -0.124 -9.373 1.00 0.00 H new ATOM 1061 N CYS A 79 -9.605 -1.968 -6.752 1.00 0.00 N ATOM 1062 CA CYS A 79 -10.130 -2.676 -5.596 1.00 0.00 C ATOM 1063 C CYS A 79 -9.328 -2.247 -4.365 1.00 0.00 C ATOM 1064 O CYS A 79 -8.328 -1.540 -4.487 1.00 0.00 O ATOM 1065 CB CYS A 79 -10.098 -4.193 -5.799 1.00 0.00 C ATOM 1066 SG CYS A 79 -11.687 -4.763 -6.504 1.00 0.00 S ATOM 0 H CYS A 79 -8.594 -2.031 -6.868 1.00 0.00 H new ATOM 0 HA CYS A 79 -11.179 -2.417 -5.453 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.278 -4.462 -6.465 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.913 -4.692 -4.848 1.00 0.00 H new ATOM 0 HG CYS A 79 -12.282 -3.769 -7.093 1.00 0.00 H new ATOM 1071 N VAL A 80 -9.795 -2.694 -3.209 1.00 0.00 N ATOM 1072 CA VAL A 80 -9.134 -2.366 -1.958 1.00 0.00 C ATOM 1073 C VAL A 80 -8.215 -3.520 -1.553 1.00 0.00 C ATOM 1074 O VAL A 80 -8.612 -4.682 -1.609 1.00 0.00 O ATOM 1075 CB VAL A 80 -10.176 -2.027 -0.888 1.00 0.00 C ATOM 1076 CG1 VAL A 80 -11.021 -3.253 -0.540 1.00 0.00 C ATOM 1077 CG2 VAL A 80 -9.510 -1.448 0.361 1.00 0.00 C ATOM 0 H VAL A 80 -10.624 -3.281 -3.112 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.510 -1.480 -2.077 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.841 -1.266 -1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -11.753 -2.986 0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.538 -3.604 -1.433 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.375 -4.044 -0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.272 -1.216 1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.812 -2.177 0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.971 -0.538 0.097 1.00 0.00 H new ATOM 1087 N VAL A 81 -7.004 -3.158 -1.155 1.00 0.00 N ATOM 1088 CA VAL A 81 -6.026 -4.149 -0.740 1.00 0.00 C ATOM 1089 C VAL A 81 -5.653 -3.912 0.724 1.00 0.00 C ATOM 1090 O VAL A 81 -5.797 -4.804 1.558 1.00 0.00 O ATOM 1091 CB VAL A 81 -4.817 -4.115 -1.679 1.00 0.00 C ATOM 1092 CG1 VAL A 81 -3.802 -5.196 -1.303 1.00 0.00 C ATOM 1093 CG2 VAL A 81 -5.252 -4.253 -3.138 1.00 0.00 C ATOM 0 H VAL A 81 -6.678 -2.192 -1.111 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.447 -5.152 -0.808 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.331 -3.146 -1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.953 -5.151 -1.985 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.457 -5.032 -0.282 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.272 -6.177 -1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.374 -4.226 -3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.773 -5.201 -3.274 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.919 -3.431 -3.398 1.00 0.00 H new ATOM 1103 N ALA A 82 -5.181 -2.703 0.992 1.00 0.00 N ATOM 1104 CA ALA A 82 -4.787 -2.336 2.342 1.00 0.00 C ATOM 1105 C ALA A 82 -5.020 -0.838 2.548 1.00 0.00 C ATOM 1106 O ALA A 82 -5.325 -0.118 1.598 1.00 0.00 O ATOM 1107 CB ALA A 82 -3.328 -2.737 2.574 1.00 0.00 C ATOM 0 H ALA A 82 -5.063 -1.965 0.298 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.392 -2.867 3.077 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.032 -2.462 3.586 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.222 -3.814 2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.690 -2.221 1.856 1.00 0.00 H new ATOM 1113 N ARG A 83 -4.866 -0.413 3.793 1.00 0.00 N ATOM 1114 CA ARG A 83 -5.057 0.987 4.135 1.00 0.00 C ATOM 1115 C ARG A 83 -3.725 1.618 4.544 1.00 0.00 C ATOM 1116 O ARG A 83 -2.884 0.962 5.157 1.00 0.00 O ATOM 1117 CB ARG A 83 -6.059 1.142 5.281 1.00 0.00 C ATOM 1118 CG ARG A 83 -7.480 0.823 4.813 1.00 0.00 C ATOM 1119 CD ARG A 83 -8.165 2.069 4.248 1.00 0.00 C ATOM 1120 NE ARG A 83 -9.618 2.015 4.520 1.00 0.00 N ATOM 1121 CZ ARG A 83 -10.186 2.433 5.660 1.00 0.00 C ATOM 1122 NH1 ARG A 83 -9.426 2.937 6.641 1.00 0.00 N ATOM 1123 NH2 ARG A 83 -11.513 2.345 5.820 1.00 0.00 N ATOM 0 H ARG A 83 -4.611 -1.013 4.578 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.449 1.494 3.253 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.785 0.478 6.101 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.020 2.160 5.668 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.449 0.044 4.051 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.062 0.431 5.647 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.736 2.965 4.697 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.990 2.135 3.174 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.226 1.636 3.794 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.415 3.003 6.521 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.858 3.255 7.509 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.092 1.960 5.074 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.944 2.663 6.688 1.00 0.00 H new ATOM 1134 N LEU A 84 -3.573 2.886 4.187 1.00 0.00 N ATOM 1135 CA LEU A 84 -2.357 3.614 4.508 1.00 0.00 C ATOM 1136 C LEU A 84 -2.574 4.417 5.791 1.00 0.00 C ATOM 1137 O LEU A 84 -3.607 5.062 5.957 1.00 0.00 O ATOM 1138 CB LEU A 84 -1.912 4.465 3.317 1.00 0.00 C ATOM 1139 CG LEU A 84 -0.511 5.071 3.412 1.00 0.00 C ATOM 1140 CD1 LEU A 84 -0.508 6.305 4.318 1.00 0.00 C ATOM 1141 CD2 LEU A 84 0.509 4.026 3.866 1.00 0.00 C ATOM 0 H LEU A 84 -4.272 3.427 3.679 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.537 2.922 4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.960 3.850 2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.629 5.276 3.187 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.213 5.400 2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.500 6.717 4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.187 7.056 3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.835 6.023 5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.497 4.483 3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.227 3.644 4.847 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.532 3.205 3.150 1.00 0.00 H new ATOM 1152 N GLU A 85 -1.581 4.351 6.667 1.00 0.00 N ATOM 1153 CA GLU A 85 -1.650 5.065 7.931 1.00 0.00 C ATOM 1154 C GLU A 85 -0.474 6.035 8.057 1.00 0.00 C ATOM 1155 O GLU A 85 0.596 5.660 8.535 1.00 0.00 O ATOM 1156 CB GLU A 85 -1.686 4.090 9.110 1.00 0.00 C ATOM 1157 CG GLU A 85 -2.452 4.687 10.291 1.00 0.00 C ATOM 1158 CD GLU A 85 -2.332 3.796 11.530 1.00 0.00 C ATOM 1159 OE1 GLU A 85 -1.203 3.316 11.775 1.00 0.00 O ATOM 1160 OE2 GLU A 85 -3.369 3.613 12.201 1.00 0.00 O ATOM 0 H GLU A 85 -0.725 3.814 6.526 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.575 5.642 7.951 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.157 3.157 8.801 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.669 3.847 9.417 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.065 5.681 10.515 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.502 4.806 10.025 1.00 0.00 H new ATOM 1165 N LEU A 86 -0.713 7.264 7.621 1.00 0.00 N ATOM 1166 CA LEU A 86 0.313 8.291 7.680 1.00 0.00 C ATOM 1167 C LEU A 86 0.854 8.385 9.108 1.00 0.00 C ATOM 1168 O LEU A 86 0.141 8.800 10.019 1.00 0.00 O ATOM 1169 CB LEU A 86 -0.223 9.617 7.137 1.00 0.00 C ATOM 1170 CG LEU A 86 -0.776 9.583 5.710 1.00 0.00 C ATOM 1171 CD1 LEU A 86 -1.645 10.811 5.430 1.00 0.00 C ATOM 1172 CD2 LEU A 86 0.353 9.434 4.688 1.00 0.00 C ATOM 0 H LEU A 86 -1.602 7.571 7.226 1.00 0.00 H new ATOM 0 HA LEU A 86 1.153 8.027 7.037 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.012 9.967 7.803 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.579 10.354 7.177 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.416 8.706 5.612 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.025 10.763 4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.481 10.832 6.129 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.048 11.715 5.552 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.067 9.412 3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.038 10.277 4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.893 8.506 4.875 1.00 0.00 H new ATOM 1183 N ASP A 87 2.111 7.991 9.258 1.00 0.00 N ATOM 1184 CA ASP A 87 2.755 8.026 10.559 1.00 0.00 C ATOM 1185 C ASP A 87 2.958 9.481 10.984 1.00 0.00 C ATOM 1186 O ASP A 87 3.324 9.753 12.127 1.00 0.00 O ATOM 1187 CB ASP A 87 4.128 7.351 10.512 1.00 0.00 C ATOM 1188 CG ASP A 87 5.239 8.188 9.872 1.00 0.00 C ATOM 1189 OD1 ASP A 87 4.919 8.909 8.903 1.00 0.00 O ATOM 1190 OD2 ASP A 87 6.381 8.088 10.368 1.00 0.00 O ATOM 0 H ASP A 87 2.700 7.646 8.500 1.00 0.00 H new ATOM 0 HA ASP A 87 2.116 7.496 11.266 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.426 7.096 11.529 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.037 6.414 9.962 1.00 0.00 H new ATOM 1194 N ASP A 88 2.712 10.379 10.042 1.00 0.00 N ATOM 1195 CA ASP A 88 2.862 11.801 10.305 1.00 0.00 C ATOM 1196 C ASP A 88 2.574 12.586 9.024 1.00 0.00 C ATOM 1197 O ASP A 88 3.405 12.630 8.118 1.00 0.00 O ATOM 1198 CB ASP A 88 4.289 12.130 10.750 1.00 0.00 C ATOM 1199 CG ASP A 88 4.427 12.568 12.210 1.00 0.00 C ATOM 1200 OD1 ASP A 88 4.490 11.663 13.070 1.00 0.00 O ATOM 1201 OD2 ASP A 88 4.466 13.797 12.432 1.00 0.00 O ATOM 0 H ASP A 88 2.410 10.150 9.095 1.00 0.00 H new ATOM 0 HA ASP A 88 2.164 12.073 11.097 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.915 11.252 10.589 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.679 12.922 10.111 1.00 0.00 H new ATOM 1205 N PRO A 89 1.362 13.202 8.988 1.00 0.00 N ATOM 1206 CA PRO A 89 0.953 13.982 7.833 1.00 0.00 C ATOM 1207 C PRO A 89 1.678 15.329 7.797 1.00 0.00 C ATOM 1208 O PRO A 89 1.050 16.371 7.614 1.00 0.00 O ATOM 1209 CB PRO A 89 -0.554 14.123 7.966 1.00 0.00 C ATOM 1210 CG PRO A 89 -0.874 13.818 9.421 1.00 0.00 C ATOM 1211 CD PRO A 89 0.352 13.171 10.043 1.00 0.00 C ATOM 0 HA PRO A 89 1.213 13.503 6.889 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.877 15.129 7.697 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -1.071 13.433 7.299 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.135 14.732 9.954 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.734 13.152 9.491 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.684 13.718 10.925 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.143 12.150 10.361 1.00 0.00 H new ATOM 1216 N SER A 90 2.990 15.264 7.975 1.00 0.00 N ATOM 1217 CA SER A 90 3.806 16.467 7.965 1.00 0.00 C ATOM 1218 C SER A 90 5.289 16.092 7.979 1.00 0.00 C ATOM 1219 O SER A 90 5.866 15.863 9.041 1.00 0.00 O ATOM 1220 CB SER A 90 3.475 17.367 9.157 1.00 0.00 C ATOM 1221 OG SER A 90 4.482 18.351 9.379 1.00 0.00 O ATOM 0 H SER A 90 3.508 14.398 8.127 1.00 0.00 H new ATOM 0 HA SER A 90 3.586 17.022 7.053 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.518 17.860 8.984 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.362 16.756 10.052 1.00 0.00 H new ATOM 0 HG SER A 90 4.233 18.906 10.147 1.00 0.00 H new ATOM 1226 N LYS A 91 5.864 16.040 6.786 1.00 0.00 N ATOM 1227 CA LYS A 91 7.269 15.696 6.647 1.00 0.00 C ATOM 1228 C LYS A 91 7.782 16.201 5.297 1.00 0.00 C ATOM 1229 O LYS A 91 7.395 15.684 4.250 1.00 0.00 O ATOM 1230 CB LYS A 91 7.478 14.195 6.862 1.00 0.00 C ATOM 1231 CG LYS A 91 8.937 13.889 7.210 1.00 0.00 C ATOM 1232 CD LYS A 91 9.091 13.578 8.700 1.00 0.00 C ATOM 1233 CE LYS A 91 10.533 13.188 9.032 1.00 0.00 C ATOM 1234 NZ LYS A 91 10.588 11.804 9.555 1.00 0.00 N ATOM 0 H LYS A 91 5.382 16.230 5.907 1.00 0.00 H new ATOM 0 HA LYS A 91 7.860 16.190 7.418 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.828 13.845 7.664 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.194 13.652 5.961 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.285 13.041 6.620 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.564 14.741 6.946 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.801 14.448 9.289 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.418 12.767 8.977 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.153 13.271 8.139 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.942 13.878 9.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.573 11.555 9.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.012 11.736 10.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.217 11.147 8.839 1.00 0.00 H new ATOM 1244 N VAL A 92 8.646 17.203 5.366 1.00 0.00 N ATOM 1245 CA VAL A 92 9.215 17.783 4.161 1.00 0.00 C ATOM 1246 C VAL A 92 10.662 17.309 4.007 1.00 0.00 C ATOM 1247 O VAL A 92 11.315 16.966 4.992 1.00 0.00 O ATOM 1248 CB VAL A 92 9.087 19.307 4.202 1.00 0.00 C ATOM 1249 CG1 VAL A 92 7.689 19.727 4.662 1.00 0.00 C ATOM 1250 CG2 VAL A 92 10.165 19.924 5.095 1.00 0.00 C ATOM 0 H VAL A 92 8.966 17.628 6.236 1.00 0.00 H new ATOM 0 HA VAL A 92 8.667 17.448 3.280 1.00 0.00 H new ATOM 0 HB VAL A 92 9.235 19.683 3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 92 7.624 20.815 4.683 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.945 19.332 3.971 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.501 19.333 5.661 1.00 0.00 H new ATOM 0 HG21 VAL A 92 10.051 21.008 5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 92 10.063 19.538 6.109 1.00 0.00 H new ATOM 0 HG23 VAL A 92 11.150 19.667 4.707 1.00 0.00 H new ATOM 1260 N HIS A 93 11.121 17.306 2.765 1.00 0.00 N ATOM 1261 CA HIS A 93 12.478 16.880 2.470 1.00 0.00 C ATOM 1262 C HIS A 93 13.349 18.104 2.179 1.00 0.00 C ATOM 1263 O HIS A 93 12.846 19.138 1.742 1.00 0.00 O ATOM 1264 CB HIS A 93 12.492 15.859 1.329 1.00 0.00 C ATOM 1265 CG HIS A 93 12.780 16.457 -0.027 1.00 0.00 C ATOM 1266 ND1 HIS A 93 11.966 17.412 -0.613 1.00 0.00 N ATOM 1267 CD2 HIS A 93 13.797 16.226 -0.905 1.00 0.00 C ATOM 1268 CE1 HIS A 93 12.481 17.733 -1.791 1.00 0.00 C ATOM 1269 NE2 HIS A 93 13.615 16.998 -1.970 1.00 0.00 N ATOM 0 H HIS A 93 10.577 17.592 1.951 1.00 0.00 H new ATOM 0 HA HIS A 93 12.900 16.374 3.338 1.00 0.00 H new ATOM 0 HB2 HIS A 93 13.242 15.098 1.546 1.00 0.00 H new ATOM 0 HB3 HIS A 93 11.526 15.355 1.295 1.00 0.00 H new ATOM 0 HD1 HIS A 93 11.115 17.802 -0.207 1.00 0.00 H new ATOM 0 HD2 HIS A 93 14.612 15.533 -0.759 1.00 0.00 H new ATOM 0 HE1 HIS A 93 12.074 18.451 -2.487 1.00 0.00 H new ATOM 1276 N PRO A 94 14.674 17.942 2.440 1.00 0.00 N ATOM 1277 CA PRO A 94 15.619 19.022 2.211 1.00 0.00 C ATOM 1278 C PRO A 94 15.899 19.198 0.718 1.00 0.00 C ATOM 1279 O PRO A 94 16.193 18.229 0.019 1.00 0.00 O ATOM 1280 CB PRO A 94 16.856 18.637 3.007 1.00 0.00 C ATOM 1281 CG PRO A 94 16.734 17.145 3.272 1.00 0.00 C ATOM 1282 CD PRO A 94 15.305 16.732 2.958 1.00 0.00 C ATOM 0 HA PRO A 94 15.238 19.990 2.535 1.00 0.00 H new ATOM 0 HB2 PRO A 94 17.765 18.861 2.449 1.00 0.00 H new ATOM 0 HB3 PRO A 94 16.909 19.196 3.941 1.00 0.00 H new ATOM 0 HG2 PRO A 94 17.437 16.588 2.653 1.00 0.00 H new ATOM 0 HG3 PRO A 94 16.977 16.920 4.311 1.00 0.00 H new ATOM 0 HD2 PRO A 94 15.278 15.926 2.224 1.00 0.00 H new ATOM 0 HD3 PRO A 94 14.793 16.369 3.849 1.00 0.00 H new ATOM 1287 N SER A 95 15.800 20.441 0.272 1.00 0.00 N ATOM 1288 CA SER A 95 16.039 20.757 -1.125 1.00 0.00 C ATOM 1289 C SER A 95 16.311 22.254 -1.286 1.00 0.00 C ATOM 1290 O SER A 95 15.743 23.072 -0.565 1.00 0.00 O ATOM 1291 CB SER A 95 14.854 20.337 -1.996 1.00 0.00 C ATOM 1292 OG SER A 95 15.247 19.463 -3.050 1.00 0.00 O ATOM 0 H SER A 95 15.557 21.242 0.855 1.00 0.00 H new ATOM 0 HA SER A 95 16.915 20.198 -1.455 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.106 19.843 -1.376 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.382 21.224 -2.418 1.00 0.00 H new ATOM 0 HG SER A 95 14.837 18.583 -2.916 1.00 0.00 H new ATOM 1297 N GLY A 96 17.182 22.567 -2.235 1.00 0.00 N ATOM 1298 CA GLY A 96 17.535 23.951 -2.498 1.00 0.00 C ATOM 1299 C GLY A 96 19.052 24.118 -2.611 1.00 0.00 C ATOM 1300 O GLY A 96 19.810 23.297 -2.096 1.00 0.00 O ATOM 0 H GLY A 96 17.653 21.886 -2.830 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.059 24.282 -3.421 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.154 24.586 -1.698 1.00 0.00 H new ATOM 1304 N PRO A 97 19.460 25.215 -3.304 1.00 0.00 N ATOM 1305 CA PRO A 97 20.873 25.499 -3.490 1.00 0.00 C ATOM 1306 C PRO A 97 21.498 26.038 -2.202 1.00 0.00 C ATOM 1307 O PRO A 97 21.617 27.250 -2.026 1.00 0.00 O ATOM 1308 CB PRO A 97 20.926 26.494 -4.638 1.00 0.00 C ATOM 1309 CG PRO A 97 19.529 27.083 -4.744 1.00 0.00 C ATOM 1310 CD PRO A 97 18.591 26.208 -3.926 1.00 0.00 C ATOM 0 HA PRO A 97 21.454 24.607 -3.726 1.00 0.00 H new ATOM 0 HB2 PRO A 97 21.665 27.272 -4.446 1.00 0.00 H new ATOM 0 HB3 PRO A 97 21.214 26.003 -5.567 1.00 0.00 H new ATOM 0 HG2 PRO A 97 19.517 28.107 -4.372 1.00 0.00 H new ATOM 0 HG3 PRO A 97 19.208 27.118 -5.785 1.00 0.00 H new ATOM 0 HD2 PRO A 97 18.057 26.792 -3.176 1.00 0.00 H new ATOM 0 HD3 PRO A 97 17.838 25.736 -4.557 1.00 0.00 H new ATOM 1315 N SER A 98 21.881 25.112 -1.335 1.00 0.00 N ATOM 1316 CA SER A 98 22.491 25.479 -0.069 1.00 0.00 C ATOM 1317 C SER A 98 23.826 26.186 -0.316 1.00 0.00 C ATOM 1318 O SER A 98 24.722 25.624 -0.944 1.00 0.00 O ATOM 1319 CB SER A 98 22.697 24.251 0.820 1.00 0.00 C ATOM 1320 OG SER A 98 23.612 23.323 0.245 1.00 0.00 O ATOM 0 H SER A 98 21.780 24.108 -1.485 1.00 0.00 H new ATOM 0 HA SER A 98 21.817 26.161 0.450 1.00 0.00 H new ATOM 0 HB2 SER A 98 23.067 24.568 1.795 1.00 0.00 H new ATOM 0 HB3 SER A 98 21.739 23.759 0.987 1.00 0.00 H new ATOM 0 HG SER A 98 24.201 23.791 -0.383 1.00 0.00 H new ATOM 1325 N SER A 99 23.916 27.406 0.191 1.00 0.00 N ATOM 1326 CA SER A 99 25.126 28.195 0.033 1.00 0.00 C ATOM 1327 C SER A 99 25.338 28.539 -1.443 1.00 0.00 C ATOM 1328 O SER A 99 24.927 27.786 -2.324 1.00 0.00 O ATOM 1329 CB SER A 99 26.344 27.450 0.584 1.00 0.00 C ATOM 1330 OG SER A 99 27.526 28.245 0.527 1.00 0.00 O ATOM 0 H SER A 99 23.171 27.868 0.712 1.00 0.00 H new ATOM 0 HA SER A 99 25.009 29.118 0.601 1.00 0.00 H new ATOM 0 HB2 SER A 99 26.153 27.157 1.616 1.00 0.00 H new ATOM 0 HB3 SER A 99 26.496 26.533 0.015 1.00 0.00 H new ATOM 0 HG SER A 99 28.281 27.735 0.889 1.00 0.00 H new ATOM 1335 N GLY A 100 25.978 29.676 -1.666 1.00 0.00 N ATOM 1336 CA GLY A 100 26.249 30.129 -3.020 1.00 0.00 C ATOM 1337 C GLY A 100 27.744 30.051 -3.335 1.00 0.00 C ATOM 1338 O GLY A 100 28.452 29.202 -2.795 1.00 0.00 O ATOM 0 H GLY A 100 26.317 30.298 -0.932 1.00 0.00 H new ATOM 0 HA2 GLY A 100 25.692 29.518 -3.730 1.00 0.00 H new ATOM 0 HA3 GLY A 100 25.901 31.155 -3.141 1.00 0.00 H new TER 1342 GLY A 100