USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 791 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 88 SER OG : rot 180:sc= 0.0239 USER MOD Set 1.2: A 89 GLN : amide:sc= -0.0698 K(o=-0.046,f=-1.1) USER MOD Set 2.1: A 2 GLN : amide:sc= -1.79! C(o=-2.7!,f=-4.5!) USER MOD Set 2.2: A 31 HIS : no HD1:sc= -0.944! K(o=-2.7!,f=-5.2) USER MOD Set 3.1: A 11 SER OG : rot 118:sc= 1.26 USER MOD Set 3.2: A 21 ASN : amide:sc= -0.207 X(o=1.1,f=1.2) USER MOD Single : A 1 ILE N :NH3+ 148:sc= -0.28 (180deg=-0.774) USER MOD Single : A 4 THR OG1 : rot 27:sc= 0.724 USER MOD Single : A 6 LYS NZ :NH3+ -171:sc=-0.00647 (180deg=-0.0913) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.0857 X(o=-0.086,f=0.007) USER MOD Single : A 17 ASN : amide:sc= -3.95! C(o=-3.9!,f=-7.8!) USER MOD Single : A 19 LYS NZ :NH3+ 164:sc= 0.415 (180deg=0.0415) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN :FLIP amide:sc= -2.19! C(o=-3.7!,f=-2.2!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 92:sc= 0.825 USER MOD Single : A 33 SER OG : rot -93:sc= 0.782 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0555 X(o=-0.056,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 158:sc= 1.23 (180deg=0.399) USER MOD Single : A 51 HIS : no HD1:sc= -0.398 X(o=-0.4,f=0.0066) USER MOD Single : A 52 SER OG : rot 180:sc= 0.037 USER MOD Single : A 55 SER OG : rot -117:sc= 0.889 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 178:sc= 0.566 (180deg=0.551) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 122:sc= 0.136 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 66:sc= 0.844 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -25:sc= 0.527 USER MOD Single : A 75 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0629) USER MOD Single : A 78 TYR OH : rot 70:sc= -0.0719 USER MOD Single : A 83 ASN : amide:sc= -0.276 K(o=-0.28,f=-2.4!) USER MOD Single : A 84 HIS : no HD1:sc= -1.99 K(o=-2,f=-3!) USER MOD Single : A 86 THR OG1 : rot 96:sc= -1.5 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -177:sc= -0.364! (180deg=-0.489) USER MOD Single : A 99 MET CE :methyl -164:sc= -0.049 (180deg=-0.387) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -23.163 -8.212 -2.137 1.00 0.00 N ATOM 2 CA ILE A 1 -22.276 -7.857 -3.266 1.00 0.00 C ATOM 3 C ILE A 1 -21.190 -6.893 -2.817 1.00 0.00 C ATOM 4 O ILE A 1 -21.269 -6.318 -1.733 1.00 0.00 O ATOM 5 CB ILE A 1 -23.064 -7.255 -4.460 1.00 0.00 C ATOM 6 CG1 ILE A 1 -24.084 -6.202 -4.003 1.00 0.00 C ATOM 7 CG2 ILE A 1 -23.760 -8.355 -5.242 1.00 0.00 C ATOM 8 CD1 ILE A 1 -23.488 -4.844 -3.694 1.00 0.00 C ATOM 0 H1 ILE A 1 -24.126 -8.382 -2.492 1.00 0.00 H new ATOM 0 H2 ILE A 1 -22.808 -9.073 -1.674 1.00 0.00 H new ATOM 0 H3 ILE A 1 -23.180 -7.431 -1.450 1.00 0.00 H new ATOM 0 HA ILE A 1 -21.811 -8.782 -3.608 1.00 0.00 H new ATOM 0 HB ILE A 1 -22.343 -6.755 -5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -24.840 -6.085 -4.780 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -24.595 -6.571 -3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -24.308 -7.917 -6.076 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -23.017 -9.056 -5.624 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -24.454 -8.883 -4.588 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -24.279 -4.163 -3.379 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -22.754 -4.942 -2.894 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -23.002 -4.448 -4.586 1.00 0.00 H new ATOM 19 N GLN A 2 -20.199 -6.700 -3.668 1.00 0.00 N ATOM 20 CA GLN A 2 -19.054 -5.868 -3.328 1.00 0.00 C ATOM 21 C GLN A 2 -18.171 -5.691 -4.564 1.00 0.00 C ATOM 22 O GLN A 2 -18.409 -6.324 -5.593 1.00 0.00 O ATOM 23 CB GLN A 2 -18.255 -6.500 -2.160 1.00 0.00 C ATOM 24 CG GLN A 2 -17.133 -5.618 -1.634 1.00 0.00 C ATOM 25 CD GLN A 2 -17.613 -4.251 -1.201 1.00 0.00 C ATOM 26 OE1 GLN A 2 -16.904 -3.259 -1.355 1.00 0.00 O ATOM 27 NE2 GLN A 2 -18.809 -4.192 -0.639 1.00 0.00 N ATOM 0 H GLN A 2 -20.162 -7.108 -4.602 1.00 0.00 H new ATOM 0 HA GLN A 2 -19.402 -4.888 -3.001 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -18.941 -6.725 -1.343 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -17.833 -7.449 -2.492 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -16.654 -6.113 -0.790 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -16.375 -5.503 -2.408 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -19.364 -5.041 -0.531 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -19.176 -3.298 -0.314 1.00 0.00 H new ATOM 36 N ARG A 3 -17.169 -4.832 -4.461 1.00 0.00 N ATOM 37 CA ARG A 3 -16.251 -4.580 -5.559 1.00 0.00 C ATOM 38 C ARG A 3 -14.820 -4.818 -5.102 1.00 0.00 C ATOM 39 O ARG A 3 -14.467 -4.501 -3.966 1.00 0.00 O ATOM 40 CB ARG A 3 -16.418 -3.153 -6.092 1.00 0.00 C ATOM 41 CG ARG A 3 -15.232 -2.685 -6.939 1.00 0.00 C ATOM 42 CD ARG A 3 -15.620 -1.638 -7.979 1.00 0.00 C ATOM 43 NE ARG A 3 -16.213 -0.446 -7.382 1.00 0.00 N ATOM 44 CZ ARG A 3 -16.829 0.500 -8.086 1.00 0.00 C ATOM 45 NH1 ARG A 3 -16.960 0.369 -9.402 1.00 0.00 N ATOM 46 NH2 ARG A 3 -17.312 1.576 -7.476 1.00 0.00 N ATOM 0 H ARG A 3 -16.970 -4.293 -3.618 1.00 0.00 H new ATOM 0 HA ARG A 3 -16.481 -5.270 -6.371 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.328 -3.099 -6.690 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.548 -2.471 -5.252 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.465 -2.272 -6.284 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.791 -3.545 -7.444 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -14.736 -1.353 -8.549 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -16.326 -2.076 -8.684 1.00 0.00 H new ATOM 0 HE ARG A 3 -16.152 -0.332 -6.370 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -16.588 -0.457 -9.872 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -17.432 1.094 -9.942 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -17.211 1.678 -6.466 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.784 2.300 -8.017 1.00 0.00 H new ATOM 60 N THR A 4 -14.010 -5.383 -5.988 1.00 0.00 N ATOM 61 CA THR A 4 -12.644 -5.742 -5.656 1.00 0.00 C ATOM 62 C THR A 4 -11.776 -4.496 -5.460 1.00 0.00 C ATOM 63 O THR A 4 -11.641 -3.681 -6.378 1.00 0.00 O ATOM 64 CB THR A 4 -12.020 -6.628 -6.764 1.00 0.00 C ATOM 65 OG1 THR A 4 -11.807 -5.859 -7.954 1.00 0.00 O ATOM 66 CG2 THR A 4 -12.919 -7.808 -7.099 1.00 0.00 C ATOM 0 H THR A 4 -14.281 -5.602 -6.947 1.00 0.00 H new ATOM 0 HA THR A 4 -12.676 -6.303 -4.722 1.00 0.00 H new ATOM 0 HB THR A 4 -11.069 -7.002 -6.386 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.681 -4.917 -7.716 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.453 -8.410 -7.879 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.065 -8.419 -6.208 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.884 -7.442 -7.450 1.00 0.00 H new ATOM 74 N PRO A 5 -11.192 -4.310 -4.260 1.00 0.00 N ATOM 75 CA PRO A 5 -10.242 -3.232 -4.023 1.00 0.00 C ATOM 76 C PRO A 5 -8.931 -3.522 -4.745 1.00 0.00 C ATOM 77 O PRO A 5 -8.363 -4.606 -4.599 1.00 0.00 O ATOM 78 CB PRO A 5 -10.029 -3.227 -2.500 1.00 0.00 C ATOM 79 CG PRO A 5 -11.002 -4.214 -1.934 1.00 0.00 C ATOM 80 CD PRO A 5 -11.402 -5.129 -3.061 1.00 0.00 C ATOM 0 HA PRO A 5 -10.601 -2.270 -4.390 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.005 -3.504 -2.250 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.200 -2.233 -2.087 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.549 -4.779 -1.120 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.873 -3.705 -1.522 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.792 -6.032 -3.080 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.440 -5.448 -2.970 1.00 0.00 H new ATOM 88 N LYS A 6 -8.454 -2.570 -5.524 1.00 0.00 N ATOM 89 CA LYS A 6 -7.277 -2.796 -6.344 1.00 0.00 C ATOM 90 C LYS A 6 -6.021 -2.276 -5.650 1.00 0.00 C ATOM 91 O LYS A 6 -6.071 -1.308 -4.890 1.00 0.00 O ATOM 92 CB LYS A 6 -7.446 -2.122 -7.710 1.00 0.00 C ATOM 93 CG LYS A 6 -6.280 -2.353 -8.657 1.00 0.00 C ATOM 94 CD LYS A 6 -6.478 -1.630 -9.975 1.00 0.00 C ATOM 95 CE LYS A 6 -5.329 -1.893 -10.937 1.00 0.00 C ATOM 96 NZ LYS A 6 -4.040 -1.341 -10.436 1.00 0.00 N ATOM 0 H LYS A 6 -8.860 -1.638 -5.607 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.165 -3.870 -6.491 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.359 -2.491 -8.176 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.575 -1.050 -7.562 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.357 -2.010 -8.189 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.167 -3.421 -8.841 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.415 -1.952 -10.430 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.563 -0.559 -9.794 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.226 -2.967 -11.093 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.560 -1.451 -11.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.320 -1.406 -11.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.170 -0.345 -10.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.728 -1.886 -9.607 1.00 0.00 H new ATOM 110 N ILE A 7 -4.901 -2.931 -5.927 1.00 0.00 N ATOM 111 CA ILE A 7 -3.624 -2.581 -5.317 1.00 0.00 C ATOM 112 C ILE A 7 -2.887 -1.564 -6.183 1.00 0.00 C ATOM 113 O ILE A 7 -2.779 -1.729 -7.401 1.00 0.00 O ATOM 114 CB ILE A 7 -2.699 -3.825 -5.111 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.183 -4.762 -3.998 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.289 -3.381 -4.781 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.619 -5.197 -4.104 1.00 0.00 C ATOM 0 H ILE A 7 -4.851 -3.716 -6.577 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.852 -2.158 -4.338 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.726 -4.377 -6.050 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.551 -5.650 -3.993 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.041 -4.264 -3.039 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.655 -4.257 -4.640 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.897 -2.777 -5.599 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.299 -2.789 -3.866 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.862 -5.856 -3.271 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.268 -4.321 -4.075 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.770 -5.729 -5.043 1.00 0.00 H new ATOM 129 N GLN A 8 -2.410 -0.502 -5.553 1.00 0.00 N ATOM 130 CA GLN A 8 -1.529 0.455 -6.204 1.00 0.00 C ATOM 131 C GLN A 8 -0.385 0.785 -5.269 1.00 0.00 C ATOM 132 O GLN A 8 -0.601 1.317 -4.177 1.00 0.00 O ATOM 133 CB GLN A 8 -2.295 1.721 -6.563 1.00 0.00 C ATOM 134 CG GLN A 8 -3.317 1.504 -7.655 1.00 0.00 C ATOM 135 CD GLN A 8 -4.263 2.670 -7.817 1.00 0.00 C ATOM 136 OE1 GLN A 8 -3.908 3.830 -7.598 1.00 0.00 O ATOM 137 NE2 GLN A 8 -5.484 2.356 -8.187 1.00 0.00 N ATOM 0 H GLN A 8 -2.621 -0.280 -4.580 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.137 0.021 -7.124 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.798 2.100 -5.673 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.589 2.488 -6.881 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.801 1.328 -8.599 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.892 0.605 -7.434 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.731 1.381 -8.357 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.185 3.087 -8.304 1.00 0.00 H new ATOM 146 N VAL A 9 0.827 0.468 -5.686 1.00 0.00 N ATOM 147 CA VAL A 9 1.997 0.674 -4.841 1.00 0.00 C ATOM 148 C VAL A 9 3.028 1.530 -5.567 1.00 0.00 C ATOM 149 O VAL A 9 3.398 1.237 -6.706 1.00 0.00 O ATOM 150 CB VAL A 9 2.681 -0.665 -4.441 1.00 0.00 C ATOM 151 CG1 VAL A 9 3.554 -0.494 -3.201 1.00 0.00 C ATOM 152 CG2 VAL A 9 1.669 -1.782 -4.248 1.00 0.00 C ATOM 0 H VAL A 9 1.030 0.068 -6.602 1.00 0.00 H new ATOM 0 HA VAL A 9 1.643 1.172 -3.938 1.00 0.00 H new ATOM 0 HB VAL A 9 3.328 -0.953 -5.269 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.017 -1.448 -2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.330 0.245 -3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.939 -0.157 -2.367 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.188 -2.699 -3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.970 -1.507 -3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.122 -1.942 -5.177 1.00 0.00 H new ATOM 162 N TYR A 10 3.485 2.585 -4.911 1.00 0.00 N ATOM 163 CA TYR A 10 4.536 3.430 -5.456 1.00 0.00 C ATOM 164 C TYR A 10 5.166 4.243 -4.336 1.00 0.00 C ATOM 165 O TYR A 10 4.643 4.283 -3.227 1.00 0.00 O ATOM 166 CB TYR A 10 4.002 4.349 -6.571 1.00 0.00 C ATOM 167 CG TYR A 10 2.992 5.396 -6.136 1.00 0.00 C ATOM 168 CD1 TYR A 10 1.627 5.140 -6.184 1.00 0.00 C ATOM 169 CD2 TYR A 10 3.408 6.652 -5.713 1.00 0.00 C ATOM 170 CE1 TYR A 10 0.707 6.108 -5.818 1.00 0.00 C ATOM 171 CE2 TYR A 10 2.497 7.621 -5.341 1.00 0.00 C ATOM 172 CZ TYR A 10 1.148 7.346 -5.396 1.00 0.00 C ATOM 173 OH TYR A 10 0.236 8.316 -5.035 1.00 0.00 O ATOM 0 H TYR A 10 3.143 2.878 -3.996 1.00 0.00 H new ATOM 0 HA TYR A 10 5.296 2.791 -5.906 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.848 4.857 -7.033 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.544 3.727 -7.340 1.00 0.00 H new ATOM 0 HD1 TYR A 10 1.279 4.172 -6.512 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.464 6.875 -5.674 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.351 5.895 -5.863 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.840 8.590 -5.009 1.00 0.00 H new ATOM 0 HH TYR A 10 0.713 9.128 -4.762 1.00 0.00 H new ATOM 183 N SER A 11 6.297 4.863 -4.616 1.00 0.00 N ATOM 184 CA SER A 11 6.978 5.669 -3.619 1.00 0.00 C ATOM 185 C SER A 11 6.473 7.104 -3.674 1.00 0.00 C ATOM 186 O SER A 11 6.209 7.631 -4.757 1.00 0.00 O ATOM 187 CB SER A 11 8.489 5.628 -3.835 1.00 0.00 C ATOM 188 OG SER A 11 9.159 6.317 -2.798 1.00 0.00 O ATOM 0 H SER A 11 6.763 4.825 -5.523 1.00 0.00 H new ATOM 0 HA SER A 11 6.763 5.258 -2.633 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.829 4.593 -3.870 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.737 6.077 -4.797 1.00 0.00 H new ATOM 0 HG SER A 11 9.737 5.693 -2.311 1.00 0.00 H new ATOM 194 N ARG A 12 6.326 7.726 -2.507 1.00 0.00 N ATOM 195 CA ARG A 12 5.829 9.105 -2.433 1.00 0.00 C ATOM 196 C ARG A 12 6.742 10.047 -3.230 1.00 0.00 C ATOM 197 O ARG A 12 6.267 10.867 -4.021 1.00 0.00 O ATOM 198 CB ARG A 12 5.758 9.551 -0.962 1.00 0.00 C ATOM 199 CG ARG A 12 4.649 10.570 -0.624 1.00 0.00 C ATOM 200 CD ARG A 12 4.560 11.736 -1.606 1.00 0.00 C ATOM 201 NE ARG A 12 3.198 11.929 -2.096 1.00 0.00 N ATOM 202 CZ ARG A 12 2.901 12.387 -3.312 1.00 0.00 C ATOM 203 NH1 ARG A 12 3.864 12.591 -4.206 1.00 0.00 N ATOM 204 NH2 ARG A 12 1.637 12.615 -3.637 1.00 0.00 N ATOM 0 H ARG A 12 6.541 7.304 -1.603 1.00 0.00 H new ATOM 0 HA ARG A 12 4.830 9.146 -2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.616 8.667 -0.340 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.720 9.983 -0.686 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.689 10.053 -0.601 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.824 10.964 0.377 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.904 12.649 -1.119 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.227 11.554 -2.449 1.00 0.00 H new ATOM 0 HE ARG A 12 2.427 11.699 -1.469 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.835 12.397 -3.963 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.631 12.942 -5.135 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.896 12.440 -2.958 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.405 12.966 -4.566 1.00 0.00 H new ATOM 218 N HIS A 13 8.047 9.907 -3.034 1.00 0.00 N ATOM 219 CA HIS A 13 9.035 10.750 -3.713 1.00 0.00 C ATOM 220 C HIS A 13 10.083 9.860 -4.411 1.00 0.00 C ATOM 221 O HIS A 13 9.933 8.639 -4.391 1.00 0.00 O ATOM 222 CB HIS A 13 9.716 11.699 -2.707 1.00 0.00 C ATOM 223 CG HIS A 13 8.858 12.822 -2.208 1.00 0.00 C ATOM 224 ND1 HIS A 13 9.222 13.538 -1.095 1.00 0.00 N ATOM 225 CD2 HIS A 13 7.687 13.314 -2.686 1.00 0.00 C ATOM 226 CE1 HIS A 13 8.278 14.442 -0.919 1.00 0.00 C ATOM 227 NE2 HIS A 13 7.328 14.345 -1.857 1.00 0.00 N ATOM 0 H HIS A 13 8.453 9.213 -2.406 1.00 0.00 H new ATOM 0 HA HIS A 13 8.529 11.357 -4.463 1.00 0.00 H new ATOM 0 HB2 HIS A 13 10.054 11.114 -1.852 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.605 12.122 -3.175 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.144 12.962 -3.551 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.272 15.168 -0.120 1.00 0.00 H new ATOM 0 HE2 HIS A 13 6.495 14.928 -1.939 1.00 0.00 H new ATOM 235 N PRO A 14 11.141 10.424 -5.059 1.00 0.00 N ATOM 236 CA PRO A 14 12.215 9.607 -5.651 1.00 0.00 C ATOM 237 C PRO A 14 12.825 8.623 -4.646 1.00 0.00 C ATOM 238 O PRO A 14 13.139 8.984 -3.508 1.00 0.00 O ATOM 239 CB PRO A 14 13.274 10.628 -6.105 1.00 0.00 C ATOM 240 CG PRO A 14 12.860 11.946 -5.502 1.00 0.00 C ATOM 241 CD PRO A 14 11.367 11.862 -5.308 1.00 0.00 C ATOM 0 HA PRO A 14 11.834 8.992 -6.466 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.268 10.338 -5.765 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.315 10.691 -7.192 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.368 12.118 -4.553 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.122 12.775 -6.159 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.035 12.473 -4.469 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.826 12.208 -6.189 1.00 0.00 H new ATOM 249 N ALA A 15 12.983 7.381 -5.080 1.00 0.00 N ATOM 250 CA ALA A 15 13.481 6.323 -4.217 1.00 0.00 C ATOM 251 C ALA A 15 14.984 6.124 -4.390 1.00 0.00 C ATOM 252 O ALA A 15 15.438 5.653 -5.437 1.00 0.00 O ATOM 253 CB ALA A 15 12.757 5.027 -4.518 1.00 0.00 C ATOM 0 H ALA A 15 12.771 7.081 -6.032 1.00 0.00 H new ATOM 0 HA ALA A 15 13.294 6.617 -3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.136 4.239 -3.867 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.689 5.158 -4.345 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.925 4.750 -5.559 1.00 0.00 H new ATOM 259 N GLU A 16 15.751 6.463 -3.362 1.00 0.00 N ATOM 260 CA GLU A 16 17.197 6.304 -3.409 1.00 0.00 C ATOM 261 C GLU A 16 17.671 5.205 -2.474 1.00 0.00 C ATOM 262 O GLU A 16 17.212 5.096 -1.337 1.00 0.00 O ATOM 263 CB GLU A 16 17.910 7.613 -3.054 1.00 0.00 C ATOM 264 CG GLU A 16 18.291 8.455 -4.254 1.00 0.00 C ATOM 265 CD GLU A 16 17.095 8.913 -5.060 1.00 0.00 C ATOM 266 OE1 GLU A 16 16.244 9.640 -4.508 1.00 0.00 O ATOM 267 OE2 GLU A 16 17.018 8.564 -6.256 1.00 0.00 O ATOM 0 H GLU A 16 15.396 6.849 -2.487 1.00 0.00 H new ATOM 0 HA GLU A 16 17.448 6.025 -4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.264 8.201 -2.402 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.811 7.381 -2.486 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.850 9.328 -3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 16 18.957 7.880 -4.897 1.00 0.00 H new ATOM 274 N ASN A 17 18.601 4.402 -2.967 1.00 0.00 N ATOM 275 CA ASN A 17 19.220 3.355 -2.160 1.00 0.00 C ATOM 276 C ASN A 17 20.208 3.970 -1.182 1.00 0.00 C ATOM 277 O ASN A 17 21.127 4.696 -1.571 1.00 0.00 O ATOM 278 CB ASN A 17 19.891 2.303 -3.058 1.00 0.00 C ATOM 279 CG ASN A 17 20.995 1.501 -2.372 1.00 0.00 C ATOM 280 OD1 ASN A 17 20.960 1.247 -1.168 1.00 0.00 O ATOM 281 ND2 ASN A 17 21.983 1.080 -3.145 1.00 0.00 N ATOM 0 H ASN A 17 18.947 4.454 -3.925 1.00 0.00 H new ATOM 0 HA ASN A 17 18.448 2.845 -1.584 1.00 0.00 H new ATOM 0 HB2 ASN A 17 19.129 1.613 -3.421 1.00 0.00 H new ATOM 0 HB3 ASN A 17 20.310 2.802 -3.931 1.00 0.00 H new ATOM 0 HD21 ASN A 17 22.743 0.529 -2.746 1.00 0.00 H new ATOM 0 HD22 ASN A 17 21.984 1.306 -4.140 1.00 0.00 H new ATOM 288 N GLY A 18 19.986 3.682 0.091 1.00 0.00 N ATOM 289 CA GLY A 18 20.777 4.269 1.151 1.00 0.00 C ATOM 290 C GLY A 18 20.231 5.623 1.542 1.00 0.00 C ATOM 291 O GLY A 18 20.902 6.409 2.214 1.00 0.00 O ATOM 0 H GLY A 18 19.260 3.042 0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.779 3.608 2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.812 4.370 0.825 1.00 0.00 H new ATOM 295 N LYS A 19 19.007 5.894 1.116 1.00 0.00 N ATOM 296 CA LYS A 19 18.375 7.180 1.343 1.00 0.00 C ATOM 297 C LYS A 19 16.984 6.971 1.918 1.00 0.00 C ATOM 298 O LYS A 19 16.312 5.992 1.594 1.00 0.00 O ATOM 299 CB LYS A 19 18.348 7.929 0.008 1.00 0.00 C ATOM 300 CG LYS A 19 17.682 9.306 -0.006 1.00 0.00 C ATOM 301 CD LYS A 19 16.179 9.222 -0.102 1.00 0.00 C ATOM 302 CE LYS A 19 15.549 10.505 -0.661 1.00 0.00 C ATOM 303 NZ LYS A 19 15.986 10.796 -2.055 1.00 0.00 N ATOM 0 H LYS A 19 18.427 5.229 0.605 1.00 0.00 H new ATOM 0 HA LYS A 19 18.930 7.776 2.068 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.376 8.047 -0.334 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.839 7.300 -0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 19 17.955 9.847 0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 19 18.065 9.882 -0.848 1.00 0.00 H new ATOM 0 HD2 LYS A 19 15.906 8.381 -0.739 1.00 0.00 H new ATOM 0 HD3 LYS A 19 15.767 9.020 0.887 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.463 10.413 -0.636 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.813 11.345 -0.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.346 11.497 -2.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 16.955 11.174 -2.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.963 9.921 -2.616 1.00 0.00 H new ATOM 317 N SER A 20 16.561 7.888 2.770 1.00 0.00 N ATOM 318 CA SER A 20 15.294 7.745 3.465 1.00 0.00 C ATOM 319 C SER A 20 14.144 8.097 2.543 1.00 0.00 C ATOM 320 O SER A 20 14.110 9.174 1.946 1.00 0.00 O ATOM 321 CB SER A 20 15.256 8.618 4.715 1.00 0.00 C ATOM 322 OG SER A 20 13.998 8.542 5.363 1.00 0.00 O ATOM 0 H SER A 20 17.076 8.739 2.997 1.00 0.00 H new ATOM 0 HA SER A 20 15.192 6.704 3.773 1.00 0.00 H new ATOM 0 HB2 SER A 20 16.041 8.304 5.403 1.00 0.00 H new ATOM 0 HB3 SER A 20 15.465 9.653 4.444 1.00 0.00 H new ATOM 0 HG SER A 20 14.006 9.111 6.161 1.00 0.00 H new ATOM 328 N ASN A 21 13.193 7.201 2.453 1.00 0.00 N ATOM 329 CA ASN A 21 12.147 7.283 1.453 1.00 0.00 C ATOM 330 C ASN A 21 10.805 7.038 2.135 1.00 0.00 C ATOM 331 O ASN A 21 10.764 6.519 3.256 1.00 0.00 O ATOM 332 CB ASN A 21 12.420 6.212 0.369 1.00 0.00 C ATOM 333 CG ASN A 21 11.683 6.432 -0.943 1.00 0.00 C ATOM 334 OD1 ASN A 21 11.356 5.467 -1.632 1.00 0.00 O ATOM 335 ND2 ASN A 21 11.420 7.676 -1.320 1.00 0.00 N ATOM 0 H ASN A 21 13.118 6.392 3.070 1.00 0.00 H new ATOM 0 HA ASN A 21 12.127 8.265 0.981 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.491 6.183 0.168 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.144 5.235 0.766 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.935 7.850 -2.200 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.702 8.458 -0.730 1.00 0.00 H new ATOM 342 N PHE A 22 9.715 7.410 1.483 1.00 0.00 N ATOM 343 CA PHE A 22 8.386 7.190 2.035 1.00 0.00 C ATOM 344 C PHE A 22 7.578 6.299 1.097 1.00 0.00 C ATOM 345 O PHE A 22 7.345 6.656 -0.060 1.00 0.00 O ATOM 346 CB PHE A 22 7.650 8.522 2.231 1.00 0.00 C ATOM 347 CG PHE A 22 8.162 9.388 3.350 1.00 0.00 C ATOM 348 CD1 PHE A 22 7.379 9.614 4.471 1.00 0.00 C ATOM 349 CD2 PHE A 22 9.408 9.991 3.274 1.00 0.00 C ATOM 350 CE1 PHE A 22 7.830 10.422 5.498 1.00 0.00 C ATOM 351 CE2 PHE A 22 9.865 10.798 4.299 1.00 0.00 C ATOM 352 CZ PHE A 22 9.073 11.013 5.412 1.00 0.00 C ATOM 0 H PHE A 22 9.723 7.866 0.571 1.00 0.00 H new ATOM 0 HA PHE A 22 8.494 6.703 3.004 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.707 9.089 1.302 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.596 8.311 2.412 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.405 9.153 4.543 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.028 9.829 2.405 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.210 10.590 6.366 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.839 11.260 4.231 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.428 11.644 6.214 1.00 0.00 H new ATOM 362 N LEU A 23 7.159 5.141 1.587 1.00 0.00 N ATOM 363 CA LEU A 23 6.375 4.215 0.777 1.00 0.00 C ATOM 364 C LEU A 23 4.947 4.695 0.711 1.00 0.00 C ATOM 365 O LEU A 23 4.506 5.468 1.555 1.00 0.00 O ATOM 366 CB LEU A 23 6.401 2.815 1.384 1.00 0.00 C ATOM 367 CG LEU A 23 6.703 1.641 0.426 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.566 0.316 1.166 1.00 0.00 C ATOM 369 CD2 LEU A 23 5.792 1.649 -0.800 1.00 0.00 C ATOM 0 H LEU A 23 7.347 4.820 2.537 1.00 0.00 H new ATOM 0 HA LEU A 23 6.807 4.176 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.147 2.804 2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.434 2.630 1.852 1.00 0.00 H new ATOM 0 HG LEU A 23 7.727 1.762 0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.781 -0.506 0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.270 0.290 1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.550 0.215 1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.041 0.806 -1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.753 1.567 -0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.931 2.580 -1.350 1.00 0.00 H new ATOM 381 N ASN A 24 4.235 4.258 -0.298 1.00 0.00 N ATOM 382 CA ASN A 24 2.843 4.604 -0.443 1.00 0.00 C ATOM 383 C ASN A 24 2.055 3.428 -1.017 1.00 0.00 C ATOM 384 O ASN A 24 2.421 2.879 -2.057 1.00 0.00 O ATOM 385 CB ASN A 24 2.717 5.824 -1.359 1.00 0.00 C ATOM 386 CG ASN A 24 1.283 6.180 -1.671 1.00 0.00 C ATOM 387 OD1 ASN A 24 0.741 5.570 -2.712 1.00 0.00 O flip ATOM 388 ND2 ASN A 24 0.670 6.995 -0.989 1.00 0.00 N flip ATOM 0 H ASN A 24 4.600 3.657 -1.037 1.00 0.00 H new ATOM 0 HA ASN A 24 2.431 4.843 0.537 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.203 6.678 -0.887 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.248 5.629 -2.290 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.127 7.442 -0.194 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.297 7.226 -1.217 1.00 0.00 H new ATOM 395 N CYS A 25 0.977 3.046 -0.349 1.00 0.00 N ATOM 396 CA CYS A 25 0.078 2.035 -0.891 1.00 0.00 C ATOM 397 C CYS A 25 -1.351 2.565 -0.855 1.00 0.00 C ATOM 398 O CYS A 25 -1.821 3.049 0.180 1.00 0.00 O ATOM 399 CB CYS A 25 0.191 0.701 -0.144 1.00 0.00 C ATOM 400 SG CYS A 25 -0.383 -0.724 -1.138 1.00 0.00 S ATOM 0 H CYS A 25 0.704 3.416 0.561 1.00 0.00 H new ATOM 0 HA CYS A 25 0.366 1.835 -1.923 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.229 0.540 0.146 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.392 0.755 0.775 1.00 0.00 H new ATOM 405 N TYR A 26 -2.025 2.485 -1.996 1.00 0.00 N ATOM 406 CA TYR A 26 -3.359 3.046 -2.156 1.00 0.00 C ATOM 407 C TYR A 26 -4.308 1.948 -2.589 1.00 0.00 C ATOM 408 O TYR A 26 -4.311 1.545 -3.752 1.00 0.00 O ATOM 409 CB TYR A 26 -3.368 4.153 -3.219 1.00 0.00 C ATOM 410 CG TYR A 26 -3.366 5.586 -2.703 1.00 0.00 C ATOM 411 CD1 TYR A 26 -4.557 6.270 -2.478 1.00 0.00 C ATOM 412 CD2 TYR A 26 -2.177 6.279 -2.511 1.00 0.00 C ATOM 413 CE1 TYR A 26 -4.556 7.596 -2.079 1.00 0.00 C ATOM 414 CE2 TYR A 26 -2.172 7.597 -2.101 1.00 0.00 C ATOM 415 CZ TYR A 26 -3.362 8.252 -1.893 1.00 0.00 C ATOM 416 OH TYR A 26 -3.353 9.574 -1.513 1.00 0.00 O ATOM 0 H TYR A 26 -1.662 2.030 -2.834 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.670 3.473 -1.203 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.496 4.019 -3.859 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.249 4.017 -3.847 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.498 5.758 -2.617 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.237 5.776 -2.686 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.490 8.113 -1.914 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.236 8.112 -1.944 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.427 9.883 -1.425 1.00 0.00 H new ATOM 426 N VAL A 27 -5.094 1.452 -1.660 1.00 0.00 N ATOM 427 CA VAL A 27 -6.050 0.412 -1.974 1.00 0.00 C ATOM 428 C VAL A 27 -7.455 0.987 -1.914 1.00 0.00 C ATOM 429 O VAL A 27 -7.924 1.372 -0.847 1.00 0.00 O ATOM 430 CB VAL A 27 -5.937 -0.773 -1.004 1.00 0.00 C ATOM 431 CG1 VAL A 27 -6.617 -1.991 -1.590 1.00 0.00 C ATOM 432 CG2 VAL A 27 -4.481 -1.075 -0.682 1.00 0.00 C ATOM 0 H VAL A 27 -5.091 1.750 -0.684 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.835 0.044 -2.977 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.437 -0.506 -0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.531 -2.826 -0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.670 -1.771 -1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.140 -2.255 -2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.428 -1.918 0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.949 -1.323 -1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.021 -0.201 -0.221 1.00 0.00 H new ATOM 442 N SER A 28 -8.109 1.079 -3.057 1.00 0.00 N ATOM 443 CA SER A 28 -9.426 1.690 -3.118 1.00 0.00 C ATOM 444 C SER A 28 -10.265 1.087 -4.242 1.00 0.00 C ATOM 445 O SER A 28 -9.824 0.171 -4.942 1.00 0.00 O ATOM 446 CB SER A 28 -9.286 3.202 -3.301 1.00 0.00 C ATOM 447 OG SER A 28 -10.531 3.866 -3.125 1.00 0.00 O ATOM 0 H SER A 28 -7.754 0.741 -3.951 1.00 0.00 H new ATOM 0 HA SER A 28 -9.943 1.490 -2.179 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.561 3.590 -2.586 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.897 3.414 -4.297 1.00 0.00 H new ATOM 0 HG SER A 28 -10.630 4.132 -2.187 1.00 0.00 H new ATOM 453 N GLY A 29 -11.480 1.604 -4.390 1.00 0.00 N ATOM 454 CA GLY A 29 -12.405 1.096 -5.379 1.00 0.00 C ATOM 455 C GLY A 29 -13.481 0.246 -4.744 1.00 0.00 C ATOM 456 O GLY A 29 -14.228 -0.432 -5.428 1.00 0.00 O ATOM 0 H GLY A 29 -11.842 2.377 -3.832 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.864 1.929 -5.911 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.862 0.506 -6.118 1.00 0.00 H new ATOM 460 N PHE A 30 -13.575 0.311 -3.430 1.00 0.00 N ATOM 461 CA PHE A 30 -14.451 -0.580 -2.677 1.00 0.00 C ATOM 462 C PHE A 30 -15.335 0.221 -1.719 1.00 0.00 C ATOM 463 O PHE A 30 -15.246 1.449 -1.664 1.00 0.00 O ATOM 464 CB PHE A 30 -13.597 -1.561 -1.867 1.00 0.00 C ATOM 465 CG PHE A 30 -12.769 -0.855 -0.833 1.00 0.00 C ATOM 466 CD1 PHE A 30 -11.614 -0.192 -1.197 1.00 0.00 C ATOM 467 CD2 PHE A 30 -13.169 -0.821 0.491 1.00 0.00 C ATOM 468 CE1 PHE A 30 -10.872 0.496 -0.268 1.00 0.00 C ATOM 469 CE2 PHE A 30 -12.424 -0.140 1.432 1.00 0.00 C ATOM 470 CZ PHE A 30 -11.273 0.524 1.051 1.00 0.00 C ATOM 0 H PHE A 30 -13.055 0.973 -2.855 1.00 0.00 H new ATOM 0 HA PHE A 30 -15.087 -1.122 -3.377 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.244 -2.290 -1.379 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.943 -2.116 -2.540 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.289 -0.215 -2.227 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.072 -1.332 0.791 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.975 1.015 -0.571 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.740 -0.126 2.465 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.690 1.063 1.784 1.00 0.00 H new ATOM 480 N HIS A 31 -16.175 -0.482 -0.964 1.00 0.00 N ATOM 481 CA HIS A 31 -16.914 0.127 0.144 1.00 0.00 C ATOM 482 C HIS A 31 -17.000 -0.856 1.323 1.00 0.00 C ATOM 483 O HIS A 31 -16.765 -2.052 1.144 1.00 0.00 O ATOM 484 CB HIS A 31 -18.310 0.606 -0.306 1.00 0.00 C ATOM 485 CG HIS A 31 -19.246 -0.467 -0.781 1.00 0.00 C ATOM 486 ND1 HIS A 31 -19.399 -0.739 -2.119 1.00 0.00 N ATOM 487 CD2 HIS A 31 -20.082 -1.262 -0.070 1.00 0.00 C ATOM 488 CE1 HIS A 31 -20.319 -1.684 -2.194 1.00 0.00 C ATOM 489 NE2 HIS A 31 -20.762 -2.033 -0.977 1.00 0.00 N ATOM 0 H HIS A 31 -16.363 -1.476 -1.098 1.00 0.00 H new ATOM 0 HA HIS A 31 -16.372 1.012 0.478 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.780 1.129 0.527 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -18.183 1.333 -1.108 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -20.191 -1.284 1.004 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -20.670 -2.120 -3.118 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -21.469 -2.737 -0.767 1.00 0.00 H new ATOM 497 N PRO A 32 -17.316 -0.395 2.560 1.00 0.00 N ATOM 498 CA PRO A 32 -17.635 1.009 2.875 1.00 0.00 C ATOM 499 C PRO A 32 -16.475 1.967 2.615 1.00 0.00 C ATOM 500 O PRO A 32 -16.503 2.718 1.642 1.00 0.00 O ATOM 501 CB PRO A 32 -17.984 0.980 4.367 1.00 0.00 C ATOM 502 CG PRO A 32 -17.356 -0.262 4.888 1.00 0.00 C ATOM 503 CD PRO A 32 -17.396 -1.247 3.758 1.00 0.00 C ATOM 0 HA PRO A 32 -18.440 1.379 2.241 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -17.598 1.861 4.879 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -19.063 0.970 4.519 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -16.331 -0.077 5.209 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -17.898 -0.640 5.755 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -16.564 -1.950 3.808 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -18.313 -1.837 3.771 1.00 0.00 H new ATOM 511 N SER A 33 -15.465 1.977 3.481 1.00 0.00 N ATOM 512 CA SER A 33 -14.297 2.814 3.268 1.00 0.00 C ATOM 513 C SER A 33 -13.079 2.161 3.926 1.00 0.00 C ATOM 514 O SER A 33 -12.012 2.761 4.021 1.00 0.00 O ATOM 515 CB SER A 33 -14.530 4.192 3.890 1.00 0.00 C ATOM 516 OG SER A 33 -15.749 4.761 3.433 1.00 0.00 O ATOM 0 H SER A 33 -15.435 1.416 4.332 1.00 0.00 H new ATOM 0 HA SER A 33 -14.122 2.925 2.198 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.551 4.105 4.976 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.700 4.853 3.639 1.00 0.00 H new ATOM 0 HG SER A 33 -15.573 5.331 2.655 1.00 0.00 H new ATOM 522 N ASP A 34 -13.254 0.916 4.371 1.00 0.00 N ATOM 523 CA ASP A 34 -12.261 0.256 5.211 1.00 0.00 C ATOM 524 C ASP A 34 -11.717 -1.011 4.555 1.00 0.00 C ATOM 525 O ASP A 34 -12.485 -1.872 4.122 1.00 0.00 O ATOM 526 CB ASP A 34 -12.875 -0.126 6.563 1.00 0.00 C ATOM 527 CG ASP A 34 -13.333 1.064 7.380 1.00 0.00 C ATOM 528 OD1 ASP A 34 -12.504 1.638 8.115 1.00 0.00 O ATOM 529 OD2 ASP A 34 -14.531 1.422 7.303 1.00 0.00 O ATOM 0 H ASP A 34 -14.074 0.347 4.162 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.443 0.963 5.351 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.724 -0.787 6.393 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.142 -0.691 7.139 1.00 0.00 H new ATOM 534 N ILE A 35 -10.396 -1.120 4.489 1.00 0.00 N ATOM 535 CA ILE A 35 -9.735 -2.363 4.090 1.00 0.00 C ATOM 536 C ILE A 35 -8.449 -2.491 4.892 1.00 0.00 C ATOM 537 O ILE A 35 -7.899 -1.483 5.349 1.00 0.00 O ATOM 538 CB ILE A 35 -9.387 -2.428 2.577 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.021 -3.868 2.177 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.231 -1.497 2.257 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.094 -3.970 0.976 1.00 0.00 C ATOM 0 H ILE A 35 -9.754 -0.358 4.708 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.431 -3.178 4.286 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.262 -2.111 2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.549 -4.360 3.028 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.938 -4.416 1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.001 -1.555 1.193 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.506 -0.474 2.513 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.355 -1.793 2.835 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.888 -5.019 0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.569 -3.511 0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.159 -3.453 1.193 1.00 0.00 H new ATOM 553 N GLU A 36 -7.973 -3.704 5.092 1.00 0.00 N ATOM 554 CA GLU A 36 -6.733 -3.907 5.806 1.00 0.00 C ATOM 555 C GLU A 36 -5.644 -4.258 4.815 1.00 0.00 C ATOM 556 O GLU A 36 -5.696 -5.298 4.148 1.00 0.00 O ATOM 557 CB GLU A 36 -6.870 -5.035 6.821 1.00 0.00 C ATOM 558 CG GLU A 36 -5.792 -5.033 7.901 1.00 0.00 C ATOM 559 CD GLU A 36 -5.828 -3.782 8.751 1.00 0.00 C ATOM 560 OE1 GLU A 36 -4.843 -3.019 8.734 1.00 0.00 O ATOM 561 OE2 GLU A 36 -6.842 -3.561 9.443 1.00 0.00 O ATOM 0 H GLU A 36 -8.426 -4.560 4.771 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.481 -2.990 6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.848 -4.964 7.298 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.841 -5.989 6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.920 -5.907 8.540 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.812 -5.122 7.432 1.00 0.00 H new ATOM 568 N VAL A 37 -4.677 -3.384 4.709 1.00 0.00 N ATOM 569 CA VAL A 37 -3.565 -3.586 3.809 1.00 0.00 C ATOM 570 C VAL A 37 -2.263 -3.468 4.587 1.00 0.00 C ATOM 571 O VAL A 37 -2.073 -2.545 5.379 1.00 0.00 O ATOM 572 CB VAL A 37 -3.616 -2.629 2.578 1.00 0.00 C ATOM 573 CG1 VAL A 37 -4.684 -1.577 2.775 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.271 -1.974 2.273 1.00 0.00 C ATOM 0 H VAL A 37 -4.635 -2.515 5.241 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.630 -4.591 3.391 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.865 -3.244 1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.708 -0.916 1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.654 -2.060 2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.461 -0.995 3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.373 -1.321 1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.948 -1.388 3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.530 -2.745 2.061 1.00 0.00 H new ATOM 584 N ASP A 38 -1.405 -4.440 4.375 1.00 0.00 N ATOM 585 CA ASP A 38 -0.180 -4.571 5.138 1.00 0.00 C ATOM 586 C ASP A 38 1.017 -4.539 4.207 1.00 0.00 C ATOM 587 O ASP A 38 0.958 -5.038 3.088 1.00 0.00 O ATOM 588 CB ASP A 38 -0.229 -5.857 5.992 1.00 0.00 C ATOM 589 CG ASP A 38 0.909 -6.826 5.734 1.00 0.00 C ATOM 590 OD1 ASP A 38 0.652 -7.888 5.123 1.00 0.00 O ATOM 591 OD2 ASP A 38 2.042 -6.548 6.162 1.00 0.00 O ATOM 0 H ASP A 38 -1.535 -5.164 3.668 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.077 -3.730 5.823 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.221 -5.579 7.046 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.174 -6.367 5.804 1.00 0.00 H new ATOM 596 N LEU A 39 2.089 -3.922 4.658 1.00 0.00 N ATOM 597 CA LEU A 39 3.261 -3.740 3.824 1.00 0.00 C ATOM 598 C LEU A 39 4.303 -4.785 4.178 1.00 0.00 C ATOM 599 O LEU A 39 4.513 -5.084 5.348 1.00 0.00 O ATOM 600 CB LEU A 39 3.853 -2.338 3.998 1.00 0.00 C ATOM 601 CG LEU A 39 2.883 -1.158 3.872 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.634 0.152 4.057 1.00 0.00 C ATOM 603 CD2 LEU A 39 2.158 -1.165 2.536 1.00 0.00 C ATOM 0 H LEU A 39 2.174 -3.537 5.599 1.00 0.00 H new ATOM 0 HA LEU A 39 2.962 -3.854 2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.324 -2.287 4.980 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.643 -2.209 3.258 1.00 0.00 H new ATOM 0 HG LEU A 39 2.130 -1.258 4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.938 0.986 3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.096 0.170 5.044 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.407 0.239 3.293 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.480 -0.313 2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.885 -1.098 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.588 -2.089 2.436 1.00 0.00 H new ATOM 615 N LEU A 40 4.959 -5.330 3.171 1.00 0.00 N ATOM 616 CA LEU A 40 5.900 -6.413 3.381 1.00 0.00 C ATOM 617 C LEU A 40 7.282 -6.041 2.941 1.00 0.00 C ATOM 618 O LEU A 40 7.496 -5.040 2.267 1.00 0.00 O ATOM 619 CB LEU A 40 5.511 -7.653 2.597 1.00 0.00 C ATOM 620 CG LEU A 40 4.024 -7.924 2.490 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.760 -9.008 1.457 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.462 -8.322 3.842 1.00 0.00 C ATOM 0 H LEU A 40 4.857 -5.040 2.198 1.00 0.00 H new ATOM 0 HA LEU A 40 5.880 -6.613 4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.919 -7.566 1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.987 -8.517 3.060 1.00 0.00 H new ATOM 0 HG LEU A 40 3.523 -7.012 2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.688 -9.193 1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.134 -8.684 0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.269 -9.925 1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.393 -8.514 3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.963 -9.224 4.193 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.626 -7.515 4.556 1.00 0.00 H new ATOM 634 N LYS A 41 8.216 -6.860 3.362 1.00 0.00 N ATOM 635 CA LYS A 41 9.586 -6.792 2.908 1.00 0.00 C ATOM 636 C LYS A 41 10.058 -8.180 2.546 1.00 0.00 C ATOM 637 O LYS A 41 10.319 -9.012 3.414 1.00 0.00 O ATOM 638 CB LYS A 41 10.463 -6.208 3.998 1.00 0.00 C ATOM 639 CG LYS A 41 9.901 -4.892 4.525 1.00 0.00 C ATOM 640 CD LYS A 41 10.851 -4.193 5.512 1.00 0.00 C ATOM 641 CE LYS A 41 10.863 -4.886 6.863 1.00 0.00 C ATOM 642 NZ LYS A 41 11.680 -4.140 7.858 1.00 0.00 N ATOM 0 H LYS A 41 8.044 -7.603 4.039 1.00 0.00 H new ATOM 0 HA LYS A 41 9.649 -6.149 2.030 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.550 -6.921 4.817 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.468 -6.045 3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.701 -4.225 3.686 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.947 -5.080 5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.860 -4.181 5.100 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.546 -3.154 5.638 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.842 -4.983 7.231 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.259 -5.895 6.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.664 -4.644 8.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.660 -4.069 7.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.287 -3.185 7.984 1.00 0.00 H new ATOM 656 N ASN A 42 10.121 -8.414 1.253 1.00 0.00 N ATOM 657 CA ASN A 42 10.430 -9.733 0.674 1.00 0.00 C ATOM 658 C ASN A 42 9.351 -10.774 0.996 1.00 0.00 C ATOM 659 O ASN A 42 9.258 -11.809 0.338 1.00 0.00 O ATOM 660 CB ASN A 42 11.804 -10.241 1.140 1.00 0.00 C ATOM 661 CG ASN A 42 12.958 -9.583 0.406 1.00 0.00 C ATOM 662 OD1 ASN A 42 13.378 -10.051 -0.652 1.00 0.00 O ATOM 663 ND2 ASN A 42 13.496 -8.507 0.962 1.00 0.00 N ATOM 0 H ASN A 42 9.959 -7.692 0.551 1.00 0.00 H new ATOM 0 HA ASN A 42 10.453 -9.597 -0.407 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.909 -10.059 2.209 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.855 -11.320 0.994 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.283 -8.040 0.512 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.123 -8.146 1.840 1.00 0.00 H new ATOM 670 N GLY A 43 8.545 -10.490 2.005 1.00 0.00 N ATOM 671 CA GLY A 43 7.487 -11.390 2.399 1.00 0.00 C ATOM 672 C GLY A 43 7.085 -11.188 3.848 1.00 0.00 C ATOM 673 O GLY A 43 6.082 -11.734 4.301 1.00 0.00 O ATOM 0 H GLY A 43 8.608 -9.639 2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.620 -11.235 1.756 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.813 -12.420 2.252 1.00 0.00 H new ATOM 677 N GLU A 44 7.867 -10.397 4.581 1.00 0.00 N ATOM 678 CA GLU A 44 7.621 -10.178 5.997 1.00 0.00 C ATOM 679 C GLU A 44 6.807 -8.913 6.224 1.00 0.00 C ATOM 680 O GLU A 44 7.018 -7.901 5.565 1.00 0.00 O ATOM 681 CB GLU A 44 8.947 -10.077 6.735 1.00 0.00 C ATOM 682 CG GLU A 44 9.721 -8.805 6.433 1.00 0.00 C ATOM 683 CD GLU A 44 10.932 -8.624 7.317 1.00 0.00 C ATOM 684 OE1 GLU A 44 10.800 -7.982 8.379 1.00 0.00 O ATOM 685 OE2 GLU A 44 12.019 -9.116 6.957 1.00 0.00 O ATOM 0 H GLU A 44 8.677 -9.898 4.213 1.00 0.00 H new ATOM 0 HA GLU A 44 7.049 -11.023 6.381 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.760 -10.132 7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.564 -10.937 6.474 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.039 -8.819 5.390 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.059 -7.947 6.553 1.00 0.00 H new ATOM 692 N ARG A 45 5.884 -8.994 7.160 1.00 0.00 N ATOM 693 CA ARG A 45 5.030 -7.870 7.519 1.00 0.00 C ATOM 694 C ARG A 45 5.838 -6.748 8.168 1.00 0.00 C ATOM 695 O ARG A 45 6.651 -6.994 9.063 1.00 0.00 O ATOM 696 CB ARG A 45 3.948 -8.355 8.481 1.00 0.00 C ATOM 697 CG ARG A 45 2.943 -7.314 8.879 1.00 0.00 C ATOM 698 CD ARG A 45 1.744 -8.006 9.529 1.00 0.00 C ATOM 699 NE ARG A 45 1.427 -9.271 8.866 1.00 0.00 N ATOM 700 CZ ARG A 45 0.197 -9.763 8.756 1.00 0.00 C ATOM 701 NH1 ARG A 45 -0.837 -9.108 9.269 1.00 0.00 N ATOM 702 NH2 ARG A 45 0.000 -10.913 8.128 1.00 0.00 N ATOM 0 H ARG A 45 5.701 -9.841 7.697 1.00 0.00 H new ATOM 0 HA ARG A 45 4.574 -7.472 6.612 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.421 -9.191 8.020 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.428 -8.738 9.381 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.391 -6.604 9.574 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.623 -6.746 8.006 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.956 -8.190 10.582 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.877 -7.347 9.489 1.00 0.00 H new ATOM 0 HE ARG A 45 2.196 -9.808 8.464 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.691 -8.221 9.751 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.778 -9.491 9.181 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.791 -11.419 7.730 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.943 -11.292 8.042 1.00 0.00 H new ATOM 716 N ILE A 46 5.611 -5.526 7.710 1.00 0.00 N ATOM 717 CA ILE A 46 6.219 -4.353 8.301 1.00 0.00 C ATOM 718 C ILE A 46 5.343 -3.881 9.446 1.00 0.00 C ATOM 719 O ILE A 46 4.119 -3.832 9.324 1.00 0.00 O ATOM 720 CB ILE A 46 6.358 -3.187 7.297 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.232 -3.562 6.104 1.00 0.00 C ATOM 722 CG2 ILE A 46 6.943 -1.965 7.997 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.220 -2.505 5.015 1.00 0.00 C ATOM 0 H ILE A 46 5.000 -5.324 6.919 1.00 0.00 H new ATOM 0 HA ILE A 46 7.218 -4.634 8.635 1.00 0.00 H new ATOM 0 HB ILE A 46 5.361 -2.958 6.921 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.256 -3.717 6.443 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.887 -4.509 5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.038 -1.147 7.283 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.284 -1.662 8.811 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.926 -2.212 8.399 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.858 -2.824 4.191 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.201 -2.368 4.652 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.592 -1.563 5.418 1.00 0.00 H new ATOM 735 N GLU A 47 5.958 -3.537 10.552 1.00 0.00 N ATOM 736 CA GLU A 47 5.218 -3.099 11.728 1.00 0.00 C ATOM 737 C GLU A 47 5.090 -1.584 11.749 1.00 0.00 C ATOM 738 O GLU A 47 4.058 -1.037 12.135 1.00 0.00 O ATOM 739 CB GLU A 47 5.910 -3.598 13.003 1.00 0.00 C ATOM 740 CG GLU A 47 7.304 -4.119 12.788 1.00 0.00 C ATOM 741 CD GLU A 47 8.354 -3.051 12.625 1.00 0.00 C ATOM 742 OE1 GLU A 47 8.633 -2.673 11.467 1.00 0.00 O ATOM 743 OE2 GLU A 47 8.936 -2.623 13.637 1.00 0.00 O ATOM 0 H GLU A 47 6.971 -3.549 10.670 1.00 0.00 H new ATOM 0 HA GLU A 47 4.215 -3.524 11.685 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.947 -2.782 13.725 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.304 -4.388 13.446 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.576 -4.751 13.633 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.308 -4.753 11.901 1.00 0.00 H new ATOM 750 N LYS A 48 6.156 -0.916 11.338 1.00 0.00 N ATOM 751 CA LYS A 48 6.216 0.537 11.287 1.00 0.00 C ATOM 752 C LYS A 48 5.343 1.129 10.177 1.00 0.00 C ATOM 753 O LYS A 48 5.563 2.256 9.735 1.00 0.00 O ATOM 754 CB LYS A 48 7.668 0.948 11.095 1.00 0.00 C ATOM 755 CG LYS A 48 8.608 0.191 12.016 1.00 0.00 C ATOM 756 CD LYS A 48 9.281 1.117 13.014 1.00 0.00 C ATOM 757 CE LYS A 48 10.025 0.341 14.092 1.00 0.00 C ATOM 758 NZ LYS A 48 10.837 -0.765 13.525 1.00 0.00 N ATOM 0 H LYS A 48 7.014 -1.372 11.027 1.00 0.00 H new ATOM 0 HA LYS A 48 5.822 0.930 12.224 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.959 0.773 10.059 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.768 2.018 11.278 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.052 -0.579 12.551 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.367 -0.319 11.423 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.978 1.771 12.490 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.531 1.757 13.479 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.674 1.020 14.644 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.308 -0.065 14.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.591 -1.021 14.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.228 -1.591 13.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.262 -0.459 12.626 1.00 0.00 H new ATOM 772 N VAL A 49 4.387 0.351 9.706 1.00 0.00 N ATOM 773 CA VAL A 49 3.373 0.849 8.794 1.00 0.00 C ATOM 774 C VAL A 49 2.325 1.641 9.550 1.00 0.00 C ATOM 775 O VAL A 49 1.826 1.196 10.587 1.00 0.00 O ATOM 776 CB VAL A 49 2.664 -0.293 8.052 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.608 0.248 7.096 1.00 0.00 C ATOM 778 CG2 VAL A 49 3.675 -1.143 7.319 1.00 0.00 C ATOM 0 H VAL A 49 4.291 -0.637 9.942 1.00 0.00 H new ATOM 0 HA VAL A 49 3.884 1.483 8.070 1.00 0.00 H new ATOM 0 HB VAL A 49 2.154 -0.918 8.785 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.122 -0.582 6.584 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.865 0.814 7.657 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.082 0.900 6.362 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.161 -1.950 6.796 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.213 -0.528 6.598 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.381 -1.566 8.034 1.00 0.00 H new ATOM 788 N GLU A 50 1.987 2.806 9.032 1.00 0.00 N ATOM 789 CA GLU A 50 0.925 3.601 9.601 1.00 0.00 C ATOM 790 C GLU A 50 0.003 4.108 8.503 1.00 0.00 C ATOM 791 O GLU A 50 0.429 4.345 7.371 1.00 0.00 O ATOM 792 CB GLU A 50 1.478 4.778 10.404 1.00 0.00 C ATOM 793 CG GLU A 50 2.381 4.374 11.557 1.00 0.00 C ATOM 794 CD GLU A 50 2.762 5.554 12.420 1.00 0.00 C ATOM 795 OE1 GLU A 50 3.868 6.102 12.238 1.00 0.00 O ATOM 796 OE2 GLU A 50 1.948 5.955 13.277 1.00 0.00 O ATOM 0 H GLU A 50 2.436 3.221 8.216 1.00 0.00 H new ATOM 0 HA GLU A 50 0.359 2.964 10.281 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.035 5.432 9.733 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.644 5.360 10.797 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.875 3.626 12.168 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.284 3.907 11.164 1.00 0.00 H new ATOM 803 N HIS A 51 -1.256 4.254 8.852 1.00 0.00 N ATOM 804 CA HIS A 51 -2.241 4.827 7.950 1.00 0.00 C ATOM 805 C HIS A 51 -2.650 6.202 8.456 1.00 0.00 C ATOM 806 O HIS A 51 -3.019 6.369 9.621 1.00 0.00 O ATOM 807 CB HIS A 51 -3.464 3.912 7.764 1.00 0.00 C ATOM 808 CG HIS A 51 -4.168 3.512 9.028 1.00 0.00 C ATOM 809 ND1 HIS A 51 -5.441 3.948 9.304 1.00 0.00 N ATOM 810 CD2 HIS A 51 -3.752 2.701 10.030 1.00 0.00 C ATOM 811 CE1 HIS A 51 -5.768 3.397 10.459 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.777 2.634 10.936 1.00 0.00 N ATOM 0 H HIS A 51 -1.628 3.982 9.762 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.784 4.928 6.965 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.179 4.417 7.115 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.145 3.008 7.245 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.796 2.203 10.101 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.716 3.544 10.956 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.784 2.104 11.807 1.00 0.00 H new ATOM 820 N SER A 52 -2.550 7.187 7.580 1.00 0.00 N ATOM 821 CA SER A 52 -2.827 8.569 7.939 1.00 0.00 C ATOM 822 C SER A 52 -4.328 8.846 7.931 1.00 0.00 C ATOM 823 O SER A 52 -5.134 7.914 7.967 1.00 0.00 O ATOM 824 CB SER A 52 -2.093 9.504 6.963 1.00 0.00 C ATOM 825 OG SER A 52 -2.232 9.041 5.627 1.00 0.00 O ATOM 0 H SER A 52 -2.277 7.054 6.606 1.00 0.00 H new ATOM 0 HA SER A 52 -2.467 8.753 8.951 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.494 10.514 7.047 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.037 9.558 7.227 1.00 0.00 H new ATOM 0 HG SER A 52 -1.760 9.648 5.020 1.00 0.00 H new ATOM 831 N ASP A 53 -4.696 10.123 7.905 1.00 0.00 N ATOM 832 CA ASP A 53 -6.099 10.516 7.864 1.00 0.00 C ATOM 833 C ASP A 53 -6.798 9.856 6.683 1.00 0.00 C ATOM 834 O ASP A 53 -6.411 10.081 5.535 1.00 0.00 O ATOM 835 CB ASP A 53 -6.229 12.035 7.769 1.00 0.00 C ATOM 836 CG ASP A 53 -7.660 12.503 7.923 1.00 0.00 C ATOM 837 OD1 ASP A 53 -8.168 12.490 9.062 1.00 0.00 O ATOM 838 OD2 ASP A 53 -8.281 12.904 6.916 1.00 0.00 O ATOM 0 H ASP A 53 -4.040 10.904 7.912 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.576 10.184 8.786 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.613 12.498 8.540 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.842 12.371 6.807 1.00 0.00 H new ATOM 843 N LEU A 54 -7.790 9.022 6.988 1.00 0.00 N ATOM 844 CA LEU A 54 -8.457 8.173 5.996 1.00 0.00 C ATOM 845 C LEU A 54 -8.803 8.939 4.720 1.00 0.00 C ATOM 846 O LEU A 54 -8.070 8.859 3.726 1.00 0.00 O ATOM 847 CB LEU A 54 -9.722 7.553 6.603 1.00 0.00 C ATOM 848 CG LEU A 54 -10.355 6.415 5.787 1.00 0.00 C ATOM 849 CD1 LEU A 54 -9.438 5.200 5.736 1.00 0.00 C ATOM 850 CD2 LEU A 54 -11.712 6.029 6.358 1.00 0.00 C ATOM 0 H LEU A 54 -8.157 8.914 7.933 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.760 7.382 5.719 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.480 7.174 7.596 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.465 8.340 6.734 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.498 6.778 4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.912 4.411 5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.492 5.477 5.271 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.253 4.841 6.748 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.140 5.222 5.764 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -11.592 5.696 7.389 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.377 6.892 6.331 1.00 0.00 H new ATOM 862 N SER A 55 -9.902 9.685 4.757 1.00 0.00 N ATOM 863 CA SER A 55 -10.332 10.498 3.624 1.00 0.00 C ATOM 864 C SER A 55 -11.637 11.221 3.934 1.00 0.00 C ATOM 865 O SER A 55 -12.452 10.753 4.733 1.00 0.00 O ATOM 866 CB SER A 55 -10.506 9.640 2.354 1.00 0.00 C ATOM 867 OG SER A 55 -11.174 8.422 2.631 1.00 0.00 O ATOM 0 H SER A 55 -10.517 9.744 5.568 1.00 0.00 H new ATOM 0 HA SER A 55 -9.552 11.237 3.443 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.069 10.203 1.609 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.528 9.428 1.921 1.00 0.00 H new ATOM 0 HG SER A 55 -10.576 7.670 2.438 1.00 0.00 H new ATOM 873 N PHE A 56 -11.819 12.373 3.306 1.00 0.00 N ATOM 874 CA PHE A 56 -13.066 13.117 3.420 1.00 0.00 C ATOM 875 C PHE A 56 -13.988 12.758 2.257 1.00 0.00 C ATOM 876 O PHE A 56 -13.528 12.290 1.205 1.00 0.00 O ATOM 877 CB PHE A 56 -12.805 14.634 3.459 1.00 0.00 C ATOM 878 CG PHE A 56 -12.158 15.195 2.219 1.00 0.00 C ATOM 879 CD1 PHE A 56 -12.897 15.939 1.312 1.00 0.00 C ATOM 880 CD2 PHE A 56 -10.812 14.983 1.963 1.00 0.00 C ATOM 881 CE1 PHE A 56 -12.306 16.460 0.176 1.00 0.00 C ATOM 882 CE2 PHE A 56 -10.217 15.500 0.828 1.00 0.00 C ATOM 883 CZ PHE A 56 -10.964 16.240 -0.065 1.00 0.00 C ATOM 0 H PHE A 56 -11.118 12.814 2.711 1.00 0.00 H new ATOM 0 HA PHE A 56 -13.551 12.842 4.357 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -13.753 15.148 3.622 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -12.170 14.857 4.316 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -13.947 16.114 1.495 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -10.221 14.407 2.659 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -12.893 17.038 -0.522 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -9.168 15.325 0.640 1.00 0.00 H new ATOM 0 HZ PHE A 56 -10.500 16.647 -0.951 1.00 0.00 H new ATOM 893 N SER A 57 -15.282 12.972 2.454 1.00 0.00 N ATOM 894 CA SER A 57 -16.285 12.628 1.459 1.00 0.00 C ATOM 895 C SER A 57 -16.112 13.471 0.199 1.00 0.00 C ATOM 896 O SER A 57 -15.795 14.659 0.274 1.00 0.00 O ATOM 897 CB SER A 57 -17.685 12.827 2.042 1.00 0.00 C ATOM 898 OG SER A 57 -17.848 12.084 3.239 1.00 0.00 O ATOM 0 H SER A 57 -15.663 13.387 3.304 1.00 0.00 H new ATOM 0 HA SER A 57 -16.157 11.581 1.186 1.00 0.00 H new ATOM 0 HB2 SER A 57 -17.853 13.885 2.241 1.00 0.00 H new ATOM 0 HB3 SER A 57 -18.434 12.517 1.313 1.00 0.00 H new ATOM 0 HG SER A 57 -18.750 12.229 3.593 1.00 0.00 H new ATOM 904 N LYS A 58 -16.344 12.859 -0.957 1.00 0.00 N ATOM 905 CA LYS A 58 -16.090 13.512 -2.234 1.00 0.00 C ATOM 906 C LYS A 58 -17.119 13.054 -3.260 1.00 0.00 C ATOM 907 O LYS A 58 -18.167 13.680 -3.410 1.00 0.00 O ATOM 908 CB LYS A 58 -14.671 13.218 -2.730 1.00 0.00 C ATOM 909 CG LYS A 58 -13.575 13.826 -1.867 1.00 0.00 C ATOM 910 CD LYS A 58 -12.193 13.457 -2.379 1.00 0.00 C ATOM 911 CE LYS A 58 -11.980 11.954 -2.364 1.00 0.00 C ATOM 912 NZ LYS A 58 -11.952 11.407 -0.982 1.00 0.00 N ATOM 0 H LYS A 58 -16.708 11.909 -1.035 1.00 0.00 H new ATOM 0 HA LYS A 58 -16.178 14.590 -2.096 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.529 12.138 -2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.568 13.594 -3.748 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.681 14.911 -1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.687 13.482 -0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.067 13.834 -3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.434 13.940 -1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.776 11.470 -2.929 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.043 11.716 -2.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.838 10.374 -1.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.155 11.824 -0.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.843 11.640 -0.498 1.00 0.00 H new ATOM 926 N ASP A 59 -16.835 11.955 -3.959 1.00 0.00 N ATOM 927 CA ASP A 59 -17.797 11.375 -4.889 1.00 0.00 C ATOM 928 C ASP A 59 -18.398 10.109 -4.292 1.00 0.00 C ATOM 929 O ASP A 59 -19.586 10.063 -3.975 1.00 0.00 O ATOM 930 CB ASP A 59 -17.113 11.050 -6.222 1.00 0.00 C ATOM 931 CG ASP A 59 -18.061 10.452 -7.242 1.00 0.00 C ATOM 932 OD1 ASP A 59 -18.104 9.210 -7.371 1.00 0.00 O ATOM 933 OD2 ASP A 59 -18.758 11.225 -7.934 1.00 0.00 O ATOM 0 H ASP A 59 -15.950 11.452 -3.898 1.00 0.00 H new ATOM 0 HA ASP A 59 -18.593 12.097 -5.068 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.675 11.960 -6.631 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -16.293 10.354 -6.044 1.00 0.00 H new ATOM 938 N TRP A 60 -17.561 9.088 -4.127 1.00 0.00 N ATOM 939 CA TRP A 60 -17.976 7.846 -3.484 1.00 0.00 C ATOM 940 C TRP A 60 -16.767 6.997 -3.117 1.00 0.00 C ATOM 941 O TRP A 60 -16.699 6.452 -2.023 1.00 0.00 O ATOM 942 CB TRP A 60 -18.917 7.039 -4.380 1.00 0.00 C ATOM 943 CG TRP A 60 -19.337 5.734 -3.763 1.00 0.00 C ATOM 944 CD1 TRP A 60 -18.974 4.480 -4.166 1.00 0.00 C ATOM 945 CD2 TRP A 60 -20.178 5.556 -2.617 1.00 0.00 C ATOM 946 NE1 TRP A 60 -19.550 3.537 -3.350 1.00 0.00 N ATOM 947 CE2 TRP A 60 -20.290 4.171 -2.389 1.00 0.00 C ATOM 948 CE3 TRP A 60 -20.850 6.434 -1.765 1.00 0.00 C ATOM 949 CZ2 TRP A 60 -21.046 3.644 -1.345 1.00 0.00 C ATOM 950 CZ3 TRP A 60 -21.597 5.917 -0.727 1.00 0.00 C ATOM 951 CH2 TRP A 60 -21.691 4.524 -0.521 1.00 0.00 C ATOM 0 H TRP A 60 -16.588 9.098 -4.431 1.00 0.00 H new ATOM 0 HA TRP A 60 -18.513 8.117 -2.575 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -19.804 7.635 -4.597 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -18.424 6.843 -5.332 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -18.328 4.262 -5.004 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -19.443 2.527 -3.445 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -20.786 7.501 -1.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -21.120 2.578 -1.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -22.118 6.589 -0.061 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -22.282 4.147 0.301 1.00 0.00 H new ATOM 962 N SER A 61 -15.822 6.877 -4.034 1.00 0.00 N ATOM 963 CA SER A 61 -14.621 6.097 -3.780 1.00 0.00 C ATOM 964 C SER A 61 -13.745 6.778 -2.727 1.00 0.00 C ATOM 965 O SER A 61 -12.988 7.698 -3.035 1.00 0.00 O ATOM 966 CB SER A 61 -13.831 5.902 -5.087 1.00 0.00 C ATOM 967 OG SER A 61 -14.631 5.265 -6.072 1.00 0.00 O ATOM 0 H SER A 61 -15.862 7.308 -4.958 1.00 0.00 H new ATOM 0 HA SER A 61 -14.918 5.121 -3.397 1.00 0.00 H new ATOM 0 HB2 SER A 61 -13.491 6.869 -5.459 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.941 5.304 -4.893 1.00 0.00 H new ATOM 0 HG SER A 61 -14.110 5.153 -6.894 1.00 0.00 H new ATOM 973 N PHE A 62 -13.878 6.351 -1.480 1.00 0.00 N ATOM 974 CA PHE A 62 -13.020 6.846 -0.417 1.00 0.00 C ATOM 975 C PHE A 62 -11.671 6.148 -0.502 1.00 0.00 C ATOM 976 O PHE A 62 -11.592 4.947 -0.768 1.00 0.00 O ATOM 977 CB PHE A 62 -13.641 6.615 0.973 1.00 0.00 C ATOM 978 CG PHE A 62 -15.005 7.239 1.202 1.00 0.00 C ATOM 979 CD1 PHE A 62 -16.161 6.574 0.813 1.00 0.00 C ATOM 980 CD2 PHE A 62 -15.134 8.470 1.841 1.00 0.00 C ATOM 981 CE1 PHE A 62 -17.412 7.120 1.050 1.00 0.00 C ATOM 982 CE2 PHE A 62 -16.388 9.019 2.075 1.00 0.00 C ATOM 983 CZ PHE A 62 -17.524 8.340 1.681 1.00 0.00 C ATOM 0 H PHE A 62 -14.571 5.664 -1.181 1.00 0.00 H new ATOM 0 HA PHE A 62 -12.899 7.921 -0.547 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.722 5.541 1.139 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.954 7.003 1.725 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -16.083 5.617 0.318 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -14.250 9.003 2.158 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -18.300 6.589 0.740 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -16.475 9.977 2.565 1.00 0.00 H new ATOM 0 HZ PHE A 62 -18.499 8.765 1.867 1.00 0.00 H new ATOM 993 N TYR A 63 -10.611 6.906 -0.292 1.00 0.00 N ATOM 994 CA TYR A 63 -9.267 6.377 -0.415 1.00 0.00 C ATOM 995 C TYR A 63 -8.663 6.192 0.967 1.00 0.00 C ATOM 996 O TYR A 63 -8.980 6.937 1.888 1.00 0.00 O ATOM 997 CB TYR A 63 -8.377 7.341 -1.225 1.00 0.00 C ATOM 998 CG TYR A 63 -8.951 7.797 -2.556 1.00 0.00 C ATOM 999 CD1 TYR A 63 -9.887 8.821 -2.615 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -8.533 7.224 -3.755 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -10.395 9.260 -3.823 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -9.041 7.659 -4.970 1.00 0.00 C ATOM 1003 CZ TYR A 63 -9.970 8.676 -4.996 1.00 0.00 C ATOM 1004 OH TYR A 63 -10.474 9.113 -6.199 1.00 0.00 O ATOM 0 H TYR A 63 -10.656 7.892 -0.035 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.319 5.419 -0.932 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.176 8.222 -0.615 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.419 6.855 -1.409 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -10.225 9.283 -1.699 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.802 6.429 -3.738 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.122 10.058 -3.847 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -8.710 7.203 -5.891 1.00 0.00 H new ATOM 0 HH TYR A 63 -10.071 8.598 -6.929 1.00 0.00 H new ATOM 1014 N LEU A 64 -7.816 5.193 1.116 1.00 0.00 N ATOM 1015 CA LEU A 64 -7.007 5.061 2.305 1.00 0.00 C ATOM 1016 C LEU A 64 -5.556 4.915 1.886 1.00 0.00 C ATOM 1017 O LEU A 64 -5.256 4.533 0.751 1.00 0.00 O ATOM 1018 CB LEU A 64 -7.460 3.859 3.138 1.00 0.00 C ATOM 1019 CG LEU A 64 -7.219 2.530 2.458 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -6.459 1.539 3.306 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -8.539 1.951 2.109 1.00 0.00 C ATOM 0 H LEU A 64 -7.672 4.459 0.423 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.120 5.948 2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.935 3.870 4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.523 3.959 3.357 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.601 2.720 1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.326 0.611 2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.483 1.952 3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.019 1.337 4.219 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.396 0.990 1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.126 1.809 3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.067 2.628 1.438 1.00 0.00 H new ATOM 1033 N LEU A 65 -4.678 5.223 2.801 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.253 5.267 2.524 1.00 0.00 C ATOM 1035 C LEU A 65 -2.492 4.492 3.594 1.00 0.00 C ATOM 1036 O LEU A 65 -2.599 4.799 4.780 1.00 0.00 O ATOM 1037 CB LEU A 65 -2.772 6.719 2.487 1.00 0.00 C ATOM 1038 CG LEU A 65 -1.584 6.989 1.564 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -1.280 8.479 1.503 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -0.347 6.215 2.001 1.00 0.00 C ATOM 0 H LEU A 65 -4.923 5.452 3.764 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.066 4.808 1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.603 7.352 2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.501 7.021 3.499 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.859 6.644 0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.431 8.650 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.151 9.013 1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.040 8.843 2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.477 6.432 1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.071 6.512 3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.561 5.146 1.982 1.00 0.00 H new ATOM 1052 N TYR A 66 -1.732 3.496 3.173 1.00 0.00 N ATOM 1053 CA TYR A 66 -0.884 2.744 4.089 1.00 0.00 C ATOM 1054 C TYR A 66 0.569 2.920 3.692 1.00 0.00 C ATOM 1055 O TYR A 66 0.981 2.518 2.603 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.265 1.261 4.129 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.360 0.923 5.126 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -3.700 0.983 4.773 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -2.049 0.538 6.426 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -4.698 0.674 5.670 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -3.043 0.224 7.337 1.00 0.00 C ATOM 1062 CZ TYR A 66 -4.369 0.293 6.951 1.00 0.00 C ATOM 1063 OH TYR A 66 -5.366 -0.016 7.846 1.00 0.00 O ATOM 0 H TYR A 66 -1.683 3.187 2.202 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.032 3.135 5.095 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.588 0.954 3.134 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.377 0.676 4.370 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.967 1.279 3.769 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.014 0.483 6.730 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.734 0.730 5.370 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.784 -0.073 8.343 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.245 -0.934 8.167 1.00 0.00 H new ATOM 1073 N TYR A 67 1.338 3.543 4.573 1.00 0.00 N ATOM 1074 CA TYR A 67 2.710 3.895 4.259 1.00 0.00 C ATOM 1075 C TYR A 67 3.647 3.573 5.413 1.00 0.00 C ATOM 1076 O TYR A 67 3.210 3.312 6.536 1.00 0.00 O ATOM 1077 CB TYR A 67 2.808 5.391 3.905 1.00 0.00 C ATOM 1078 CG TYR A 67 2.469 6.340 5.043 1.00 0.00 C ATOM 1079 CD1 TYR A 67 1.188 6.861 5.185 1.00 0.00 C ATOM 1080 CD2 TYR A 67 3.436 6.723 5.967 1.00 0.00 C ATOM 1081 CE1 TYR A 67 0.880 7.730 6.217 1.00 0.00 C ATOM 1082 CE2 TYR A 67 3.135 7.592 6.999 1.00 0.00 C ATOM 1083 CZ TYR A 67 1.855 8.092 7.120 1.00 0.00 C ATOM 1084 OH TYR A 67 1.546 8.950 8.153 1.00 0.00 O ATOM 0 H TYR A 67 1.034 3.814 5.508 1.00 0.00 H new ATOM 0 HA TYR A 67 3.017 3.299 3.399 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.821 5.603 3.563 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.140 5.596 3.068 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.420 6.583 4.478 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.440 6.334 5.876 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.121 8.123 6.314 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.898 7.878 7.707 1.00 0.00 H new ATOM 0 HH TYR A 67 2.344 9.104 8.701 1.00 0.00 H new ATOM 1094 N THR A 68 4.935 3.586 5.118 1.00 0.00 N ATOM 1095 CA THR A 68 5.961 3.379 6.129 1.00 0.00 C ATOM 1096 C THR A 68 7.252 4.075 5.702 1.00 0.00 C ATOM 1097 O THR A 68 7.553 4.161 4.505 1.00 0.00 O ATOM 1098 CB THR A 68 6.227 1.871 6.376 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.128 1.700 7.478 1.00 0.00 O ATOM 1100 CG2 THR A 68 6.799 1.190 5.134 1.00 0.00 C ATOM 0 H THR A 68 5.299 3.739 4.178 1.00 0.00 H new ATOM 0 HA THR A 68 5.603 3.809 7.065 1.00 0.00 H new ATOM 0 HB THR A 68 5.271 1.403 6.610 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.695 2.001 8.304 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.972 0.135 5.345 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.092 1.284 4.310 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.741 1.665 4.860 1.00 0.00 H new ATOM 1108 N GLU A 69 7.987 4.606 6.673 1.00 0.00 N ATOM 1109 CA GLU A 69 9.273 5.224 6.397 1.00 0.00 C ATOM 1110 C GLU A 69 10.338 4.139 6.316 1.00 0.00 C ATOM 1111 O GLU A 69 10.475 3.319 7.227 1.00 0.00 O ATOM 1112 CB GLU A 69 9.634 6.252 7.482 1.00 0.00 C ATOM 1113 CG GLU A 69 10.846 7.107 7.139 1.00 0.00 C ATOM 1114 CD GLU A 69 11.236 8.045 8.259 1.00 0.00 C ATOM 1115 OE1 GLU A 69 10.663 9.152 8.351 1.00 0.00 O ATOM 1116 OE2 GLU A 69 12.123 7.676 9.057 1.00 0.00 O ATOM 0 H GLU A 69 7.713 4.620 7.655 1.00 0.00 H new ATOM 0 HA GLU A 69 9.217 5.754 5.446 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.777 6.904 7.651 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.825 5.727 8.418 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.689 6.457 6.905 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.633 7.688 6.242 1.00 0.00 H new ATOM 1123 N PHE A 70 11.091 4.135 5.232 1.00 0.00 N ATOM 1124 CA PHE A 70 12.028 3.056 4.967 1.00 0.00 C ATOM 1125 C PHE A 70 13.277 3.610 4.293 1.00 0.00 C ATOM 1126 O PHE A 70 13.252 4.711 3.742 1.00 0.00 O ATOM 1127 CB PHE A 70 11.372 1.938 4.131 1.00 0.00 C ATOM 1128 CG PHE A 70 10.956 2.317 2.731 1.00 0.00 C ATOM 1129 CD1 PHE A 70 11.016 1.381 1.719 1.00 0.00 C ATOM 1130 CD2 PHE A 70 10.500 3.584 2.430 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.638 1.690 0.433 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.118 3.909 1.140 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.189 2.959 0.138 1.00 0.00 C ATOM 0 H PHE A 70 11.073 4.866 4.520 1.00 0.00 H new ATOM 0 HA PHE A 70 12.324 2.606 5.915 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.069 1.102 4.068 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.492 1.580 4.666 1.00 0.00 H new ATOM 0 HD1 PHE A 70 11.367 0.384 1.941 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.441 4.330 3.209 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.693 0.941 -0.343 1.00 0.00 H new ATOM 0 HE2 PHE A 70 9.764 4.905 0.916 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.894 3.210 -0.870 1.00 0.00 H new ATOM 1143 N THR A 71 14.369 2.870 4.358 1.00 0.00 N ATOM 1144 CA THR A 71 15.592 3.262 3.679 1.00 0.00 C ATOM 1145 C THR A 71 15.992 2.182 2.674 1.00 0.00 C ATOM 1146 O THR A 71 16.747 1.266 3.010 1.00 0.00 O ATOM 1147 CB THR A 71 16.738 3.504 4.684 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.271 4.362 5.737 1.00 0.00 O ATOM 1149 CG2 THR A 71 17.940 4.147 3.999 1.00 0.00 C ATOM 0 H THR A 71 14.435 1.993 4.875 1.00 0.00 H new ATOM 0 HA THR A 71 15.407 4.198 3.152 1.00 0.00 H new ATOM 0 HB THR A 71 17.050 2.543 5.093 1.00 0.00 H new ATOM 0 HG1 THR A 71 16.996 4.517 6.378 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.733 4.307 4.730 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.302 3.490 3.208 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.645 5.104 3.569 1.00 0.00 H new ATOM 1157 N PRO A 72 15.446 2.259 1.442 1.00 0.00 N ATOM 1158 CA PRO A 72 15.705 1.278 0.380 1.00 0.00 C ATOM 1159 C PRO A 72 17.183 0.999 0.164 1.00 0.00 C ATOM 1160 O PRO A 72 18.036 1.864 0.376 1.00 0.00 O ATOM 1161 CB PRO A 72 15.113 1.933 -0.885 1.00 0.00 C ATOM 1162 CG PRO A 72 14.739 3.326 -0.492 1.00 0.00 C ATOM 1163 CD PRO A 72 14.512 3.296 0.990 1.00 0.00 C ATOM 0 HA PRO A 72 15.267 0.313 0.634 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.839 1.939 -1.698 1.00 0.00 H new ATOM 0 HB3 PRO A 72 14.243 1.381 -1.239 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.531 4.029 -0.750 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.841 3.651 -1.017 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.725 4.260 1.451 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.480 3.046 1.236 1.00 0.00 H new ATOM 1171 N THR A 73 17.470 -0.215 -0.267 1.00 0.00 N ATOM 1172 CA THR A 73 18.819 -0.628 -0.558 1.00 0.00 C ATOM 1173 C THR A 73 18.828 -1.415 -1.855 1.00 0.00 C ATOM 1174 O THR A 73 17.772 -1.692 -2.424 1.00 0.00 O ATOM 1175 CB THR A 73 19.430 -1.501 0.564 1.00 0.00 C ATOM 1176 OG1 THR A 73 18.780 -2.772 0.603 1.00 0.00 O ATOM 1177 CG2 THR A 73 19.304 -0.829 1.927 1.00 0.00 C ATOM 0 H THR A 73 16.769 -0.939 -0.424 1.00 0.00 H new ATOM 0 HA THR A 73 19.426 0.274 -0.640 1.00 0.00 H new ATOM 0 HB THR A 73 20.489 -1.631 0.341 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.876 -2.689 0.234 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.744 -1.470 2.691 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.827 0.127 1.911 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.251 -0.663 2.155 1.00 0.00 H new ATOM 1185 N GLU A 74 20.010 -1.731 -2.341 1.00 0.00 N ATOM 1186 CA GLU A 74 20.156 -2.579 -3.514 1.00 0.00 C ATOM 1187 C GLU A 74 19.469 -3.929 -3.298 1.00 0.00 C ATOM 1188 O GLU A 74 18.712 -4.403 -4.145 1.00 0.00 O ATOM 1189 CB GLU A 74 21.652 -2.778 -3.786 1.00 0.00 C ATOM 1190 CG GLU A 74 22.006 -3.248 -5.189 1.00 0.00 C ATOM 1191 CD GLU A 74 21.615 -4.683 -5.475 1.00 0.00 C ATOM 1192 OE1 GLU A 74 22.283 -5.601 -4.962 1.00 0.00 O ATOM 1193 OE2 GLU A 74 20.659 -4.902 -6.248 1.00 0.00 O ATOM 0 H GLU A 74 20.892 -1.412 -1.941 1.00 0.00 H new ATOM 0 HA GLU A 74 19.682 -2.101 -4.371 1.00 0.00 H new ATOM 0 HB2 GLU A 74 22.166 -1.836 -3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 74 22.040 -3.502 -3.070 1.00 0.00 H new ATOM 0 HG2 GLU A 74 21.516 -2.597 -5.913 1.00 0.00 H new ATOM 0 HG3 GLU A 74 23.080 -3.138 -5.338 1.00 0.00 H new ATOM 1200 N LYS A 75 19.704 -4.509 -2.135 1.00 0.00 N ATOM 1201 CA LYS A 75 19.398 -5.903 -1.895 1.00 0.00 C ATOM 1202 C LYS A 75 18.029 -6.141 -1.263 1.00 0.00 C ATOM 1203 O LYS A 75 17.475 -7.235 -1.405 1.00 0.00 O ATOM 1204 CB LYS A 75 20.484 -6.487 -1.005 1.00 0.00 C ATOM 1205 CG LYS A 75 21.837 -6.568 -1.696 1.00 0.00 C ATOM 1206 CD LYS A 75 22.973 -6.185 -0.770 1.00 0.00 C ATOM 1207 CE LYS A 75 24.269 -5.992 -1.551 1.00 0.00 C ATOM 1208 NZ LYS A 75 24.655 -7.208 -2.311 1.00 0.00 N ATOM 0 H LYS A 75 20.111 -4.027 -1.334 1.00 0.00 H new ATOM 0 HA LYS A 75 19.364 -6.396 -2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.577 -5.877 -0.106 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.186 -7.485 -0.684 1.00 0.00 H new ATOM 0 HG2 LYS A 75 21.996 -7.582 -2.064 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.840 -5.910 -2.565 1.00 0.00 H new ATOM 0 HD2 LYS A 75 22.722 -5.266 -0.241 1.00 0.00 H new ATOM 0 HD3 LYS A 75 23.110 -6.960 -0.016 1.00 0.00 H new ATOM 0 HE2 LYS A 75 24.154 -5.156 -2.241 1.00 0.00 H new ATOM 0 HE3 LYS A 75 25.070 -5.728 -0.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 25.605 -7.078 -2.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 24.659 -8.029 -1.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 23.972 -7.369 -3.078 1.00 0.00 H new ATOM 1222 N ASP A 76 17.468 -5.162 -0.566 1.00 0.00 N ATOM 1223 CA ASP A 76 16.203 -5.407 0.122 1.00 0.00 C ATOM 1224 C ASP A 76 15.013 -5.060 -0.778 1.00 0.00 C ATOM 1225 O ASP A 76 15.156 -4.343 -1.765 1.00 0.00 O ATOM 1226 CB ASP A 76 16.127 -4.681 1.484 1.00 0.00 C ATOM 1227 CG ASP A 76 15.935 -3.180 1.412 1.00 0.00 C ATOM 1228 OD1 ASP A 76 16.246 -2.571 0.373 1.00 0.00 O ATOM 1229 OD2 ASP A 76 15.497 -2.603 2.431 1.00 0.00 O ATOM 0 H ASP A 76 17.850 -4.222 -0.462 1.00 0.00 H new ATOM 0 HA ASP A 76 16.154 -6.474 0.341 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.305 -5.108 2.058 1.00 0.00 H new ATOM 0 HB3 ASP A 76 17.043 -4.887 2.037 1.00 0.00 H new ATOM 1234 N GLU A 77 13.843 -5.595 -0.438 1.00 0.00 N ATOM 1235 CA GLU A 77 12.668 -5.497 -1.303 1.00 0.00 C ATOM 1236 C GLU A 77 11.414 -5.407 -0.451 1.00 0.00 C ATOM 1237 O GLU A 77 11.341 -6.026 0.606 1.00 0.00 O ATOM 1238 CB GLU A 77 12.593 -6.730 -2.210 1.00 0.00 C ATOM 1239 CG GLU A 77 11.575 -6.646 -3.348 1.00 0.00 C ATOM 1240 CD GLU A 77 12.060 -5.799 -4.503 1.00 0.00 C ATOM 1241 OE1 GLU A 77 12.919 -6.278 -5.273 1.00 0.00 O ATOM 1242 OE2 GLU A 77 11.554 -4.671 -4.670 1.00 0.00 O ATOM 0 H GLU A 77 13.682 -6.102 0.432 1.00 0.00 H new ATOM 0 HA GLU A 77 12.746 -4.602 -1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.579 -6.905 -2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.355 -7.598 -1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.354 -7.651 -3.707 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.642 -6.232 -2.966 1.00 0.00 H new ATOM 1249 N TYR A 78 10.437 -4.640 -0.899 1.00 0.00 N ATOM 1250 CA TYR A 78 9.217 -4.465 -0.130 1.00 0.00 C ATOM 1251 C TYR A 78 7.988 -4.773 -0.978 1.00 0.00 C ATOM 1252 O TYR A 78 8.046 -4.754 -2.209 1.00 0.00 O ATOM 1253 CB TYR A 78 9.110 -3.041 0.460 1.00 0.00 C ATOM 1254 CG TYR A 78 10.423 -2.414 0.907 1.00 0.00 C ATOM 1255 CD1 TYR A 78 10.663 -2.144 2.250 1.00 0.00 C ATOM 1256 CD2 TYR A 78 11.405 -2.060 -0.013 1.00 0.00 C ATOM 1257 CE1 TYR A 78 11.842 -1.546 2.661 1.00 0.00 C ATOM 1258 CE2 TYR A 78 12.586 -1.473 0.392 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.797 -1.218 1.726 1.00 0.00 C ATOM 1260 OH TYR A 78 13.959 -0.607 2.126 1.00 0.00 O ATOM 0 H TYR A 78 10.462 -4.132 -1.783 1.00 0.00 H new ATOM 0 HA TYR A 78 9.259 -5.171 0.699 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.653 -2.391 -0.286 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.433 -3.071 1.314 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.916 -2.405 2.985 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.240 -2.248 -1.064 1.00 0.00 H new ATOM 0 HE1 TYR A 78 12.011 -1.339 3.707 1.00 0.00 H new ATOM 0 HE2 TYR A 78 13.341 -1.215 -0.336 1.00 0.00 H new ATOM 0 HH TYR A 78 14.505 -1.243 2.634 1.00 0.00 H new ATOM 1270 N ALA A 79 6.879 -5.068 -0.310 1.00 0.00 N ATOM 1271 CA ALA A 79 5.638 -5.460 -0.981 1.00 0.00 C ATOM 1272 C ALA A 79 4.425 -4.863 -0.282 1.00 0.00 C ATOM 1273 O ALA A 79 4.533 -4.353 0.824 1.00 0.00 O ATOM 1274 CB ALA A 79 5.529 -6.976 -1.021 1.00 0.00 C ATOM 0 H ALA A 79 6.811 -5.044 0.707 1.00 0.00 H new ATOM 0 HA ALA A 79 5.662 -5.074 -2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.604 -7.261 -1.521 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.378 -7.388 -1.566 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.527 -7.368 -0.004 1.00 0.00 H new ATOM 1280 N CYS A 80 3.286 -4.874 -0.955 1.00 0.00 N ATOM 1281 CA CYS A 80 2.040 -4.424 -0.342 1.00 0.00 C ATOM 1282 C CYS A 80 0.992 -5.539 -0.432 1.00 0.00 C ATOM 1283 O CYS A 80 0.809 -6.147 -1.491 1.00 0.00 O ATOM 1284 CB CYS A 80 1.512 -3.133 -0.999 1.00 0.00 C ATOM 1285 SG CYS A 80 0.150 -2.359 -0.059 1.00 0.00 S ATOM 0 H CYS A 80 3.195 -5.187 -1.921 1.00 0.00 H new ATOM 0 HA CYS A 80 2.240 -4.195 0.705 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.331 -2.420 -1.095 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.167 -3.360 -2.008 1.00 0.00 H new ATOM 1290 N ARG A 81 0.335 -5.816 0.691 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.669 -6.878 0.790 1.00 0.00 C ATOM 1292 C ARG A 81 -2.024 -6.266 1.125 1.00 0.00 C ATOM 1293 O ARG A 81 -2.091 -5.341 1.925 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.306 -7.838 1.926 1.00 0.00 C ATOM 1295 CG ARG A 81 -0.983 -9.194 1.824 1.00 0.00 C ATOM 1296 CD ARG A 81 -0.905 -9.985 3.124 1.00 0.00 C ATOM 1297 NE ARG A 81 0.447 -10.101 3.660 1.00 0.00 N ATOM 1298 CZ ARG A 81 1.093 -11.261 3.798 1.00 0.00 C ATOM 1299 NH1 ARG A 81 0.559 -12.385 3.325 1.00 0.00 N ATOM 1300 NH2 ARG A 81 2.275 -11.296 4.403 1.00 0.00 N ATOM 0 H ARG A 81 0.483 -5.309 1.564 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.705 -7.409 -0.161 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.774 -7.982 1.936 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.575 -7.379 2.877 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.029 -9.055 1.550 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.517 -9.770 1.024 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.542 -9.507 3.869 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.306 -10.984 2.956 1.00 0.00 H new ATOM 0 HE ARG A 81 0.926 -9.247 3.946 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.346 -12.361 2.856 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.055 -13.270 3.432 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.690 -10.436 4.762 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.768 -12.183 4.508 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.104 -6.769 0.541 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.432 -6.313 0.940 1.00 0.00 C ATOM 1316 C VAL A 82 -5.377 -7.482 1.132 1.00 0.00 C ATOM 1317 O VAL A 82 -5.316 -8.483 0.412 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.058 -5.307 -0.047 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -4.006 -4.386 -0.592 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -5.814 -5.995 -1.166 1.00 0.00 C ATOM 0 H VAL A 82 -3.091 -7.476 -0.194 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.288 -5.793 1.887 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.788 -4.716 0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.463 -3.682 -1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.543 -3.837 0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.247 -4.969 -1.113 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.236 -5.245 -1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.133 -6.637 -1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.618 -6.599 -0.745 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.219 -7.353 2.134 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.193 -8.381 2.459 1.00 0.00 C ATOM 1332 C ASN A 83 -8.616 -7.842 2.363 1.00 0.00 C ATOM 1333 O ASN A 83 -8.969 -6.901 3.076 1.00 0.00 O ATOM 1334 CB ASN A 83 -6.962 -8.903 3.886 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.541 -9.382 4.136 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -5.248 -10.566 4.022 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -4.647 -8.465 4.471 1.00 0.00 N ATOM 0 H ASN A 83 -6.251 -6.538 2.746 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.067 -9.190 1.739 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.200 -8.111 4.596 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.653 -9.724 4.080 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.679 -8.736 4.643 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.926 -7.488 4.557 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.430 -8.421 1.484 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.847 -8.104 1.436 1.00 0.00 C ATOM 1346 C HIS A 84 -11.616 -9.360 1.058 1.00 0.00 C ATOM 1347 O HIS A 84 -11.029 -10.326 0.571 1.00 0.00 O ATOM 1348 CB HIS A 84 -11.126 -7.001 0.417 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.345 -6.187 0.734 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.513 -6.356 0.034 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.525 -5.211 1.664 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.370 -5.489 0.541 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.818 -4.773 1.532 1.00 0.00 N ATOM 0 H HIS A 84 -9.129 -9.112 0.797 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.165 -7.747 2.415 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.261 -6.340 0.364 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.245 -7.450 -0.569 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.791 -4.851 2.370 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.388 -5.371 0.200 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.272 -4.043 2.081 1.00 0.00 H new ATOM 1361 N VAL A 85 -12.921 -9.340 1.277 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.768 -10.490 0.994 1.00 0.00 C ATOM 1363 C VAL A 85 -13.835 -10.786 -0.509 1.00 0.00 C ATOM 1364 O VAL A 85 -14.119 -11.913 -0.915 1.00 0.00 O ATOM 1365 CB VAL A 85 -15.198 -10.269 1.548 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -15.909 -9.150 0.797 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -16.013 -11.555 1.500 1.00 0.00 C ATOM 0 H VAL A 85 -13.421 -8.534 1.653 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.320 -11.350 1.492 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.105 -9.970 2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.910 -9.016 1.206 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -15.346 -8.223 0.906 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -15.980 -9.409 -0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -17.011 -11.368 1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -16.090 -11.899 0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -15.522 -12.320 2.102 1.00 0.00 H new ATOM 1377 N THR A 86 -13.567 -9.779 -1.334 1.00 0.00 N ATOM 1378 CA THR A 86 -13.699 -9.930 -2.776 1.00 0.00 C ATOM 1379 C THR A 86 -12.579 -10.776 -3.349 1.00 0.00 C ATOM 1380 O THR A 86 -12.798 -11.627 -4.213 1.00 0.00 O ATOM 1381 CB THR A 86 -13.681 -8.567 -3.480 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.427 -7.916 -3.244 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.806 -7.687 -2.980 1.00 0.00 C ATOM 0 H THR A 86 -13.259 -8.855 -1.030 1.00 0.00 H new ATOM 0 HA THR A 86 -14.655 -10.423 -2.951 1.00 0.00 H new ATOM 0 HB THR A 86 -13.816 -8.732 -4.549 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.823 -8.087 -3.996 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.772 -6.726 -3.494 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.762 -8.171 -3.178 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.695 -7.529 -1.907 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.375 -10.520 -2.873 1.00 0.00 N ATOM 1392 CA LEU A 87 -10.211 -11.217 -3.364 1.00 0.00 C ATOM 1393 C LEU A 87 -10.241 -12.656 -2.873 1.00 0.00 C ATOM 1394 O LEU A 87 -10.286 -12.906 -1.667 1.00 0.00 O ATOM 1395 CB LEU A 87 -8.924 -10.510 -2.911 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.737 -9.084 -3.452 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.382 -8.519 -3.046 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -8.890 -9.058 -4.966 1.00 0.00 C ATOM 0 H LEU A 87 -11.182 -9.832 -2.145 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.224 -11.213 -4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.913 -10.473 -1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.070 -11.113 -3.218 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.513 -8.456 -3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.276 -7.509 -3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.310 -8.492 -1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.589 -9.151 -3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.754 -8.039 -5.328 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.140 -9.707 -5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.886 -9.409 -5.237 1.00 0.00 H new ATOM 1410 N SER A 88 -10.254 -13.595 -3.818 1.00 0.00 N ATOM 1411 CA SER A 88 -10.273 -15.016 -3.496 1.00 0.00 C ATOM 1412 C SER A 88 -9.066 -15.382 -2.639 1.00 0.00 C ATOM 1413 O SER A 88 -9.074 -16.376 -1.910 1.00 0.00 O ATOM 1414 CB SER A 88 -10.303 -15.835 -4.786 1.00 0.00 C ATOM 1415 OG SER A 88 -9.422 -15.288 -5.754 1.00 0.00 O ATOM 0 H SER A 88 -10.252 -13.393 -4.818 1.00 0.00 H new ATOM 0 HA SER A 88 -11.170 -15.244 -2.921 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.021 -16.866 -4.573 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.318 -15.858 -5.184 1.00 0.00 H new ATOM 0 HG SER A 88 -9.456 -15.829 -6.570 1.00 0.00 H new ATOM 1421 N GLN A 89 -8.031 -14.564 -2.749 1.00 0.00 N ATOM 1422 CA GLN A 89 -6.873 -14.622 -1.883 1.00 0.00 C ATOM 1423 C GLN A 89 -6.354 -13.208 -1.730 1.00 0.00 C ATOM 1424 O GLN A 89 -6.375 -12.454 -2.706 1.00 0.00 O ATOM 1425 CB GLN A 89 -5.770 -15.533 -2.464 1.00 0.00 C ATOM 1426 CG GLN A 89 -5.972 -15.939 -3.918 1.00 0.00 C ATOM 1427 CD GLN A 89 -5.535 -14.864 -4.897 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -4.611 -14.094 -4.631 1.00 0.00 O ATOM 1429 NE2 GLN A 89 -6.191 -14.809 -6.042 1.00 0.00 N ATOM 0 H GLN A 89 -7.975 -13.830 -3.456 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.156 -15.046 -0.919 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.812 -15.021 -2.375 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.707 -16.435 -1.856 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -5.412 -16.853 -4.116 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.025 -16.168 -4.083 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.951 -15.464 -6.226 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -5.938 -14.112 -6.742 1.00 0.00 H new ATOM 1438 N PRO A 90 -5.958 -12.783 -0.513 1.00 0.00 N ATOM 1439 CA PRO A 90 -5.288 -11.493 -0.328 1.00 0.00 C ATOM 1440 C PRO A 90 -4.254 -11.218 -1.408 1.00 0.00 C ATOM 1441 O PRO A 90 -3.578 -12.129 -1.892 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.630 -11.667 1.029 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.635 -12.457 1.785 1.00 0.00 C ATOM 1444 CD PRO A 90 -6.169 -13.472 0.793 1.00 0.00 C ATOM 0 HA PRO A 90 -5.971 -10.646 -0.388 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.678 -12.192 0.952 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.428 -10.708 1.506 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.183 -12.948 2.647 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.433 -11.819 2.164 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.627 -14.416 0.846 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.221 -13.697 0.968 1.00 0.00 H new ATOM 1452 N LYS A 91 -4.100 -9.955 -1.755 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.345 -9.605 -2.929 1.00 0.00 C ATOM 1454 C LYS A 91 -2.002 -9.010 -2.543 1.00 0.00 C ATOM 1455 O LYS A 91 -1.941 -8.084 -1.737 1.00 0.00 O ATOM 1456 CB LYS A 91 -4.116 -8.624 -3.790 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.510 -8.483 -5.170 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.538 -9.811 -5.893 1.00 0.00 C ATOM 1459 CE LYS A 91 -4.948 -10.244 -6.267 1.00 0.00 C ATOM 1460 NZ LYS A 91 -5.487 -9.492 -7.433 1.00 0.00 N ATOM 0 H LYS A 91 -4.487 -9.163 -1.241 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.175 -10.515 -3.503 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.150 -8.956 -3.880 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.135 -7.650 -3.301 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.062 -7.738 -5.743 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.483 -8.127 -5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.932 -9.742 -6.796 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.083 -10.574 -5.261 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.948 -11.310 -6.495 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.607 -10.101 -5.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.449 -9.825 -7.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.514 -8.477 -7.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.875 -9.648 -8.260 1.00 0.00 H new ATOM 1474 N ILE A 92 -0.935 -9.555 -3.103 1.00 0.00 N ATOM 1475 CA ILE A 92 0.400 -9.013 -2.889 1.00 0.00 C ATOM 1476 C ILE A 92 0.940 -8.441 -4.181 1.00 0.00 C ATOM 1477 O ILE A 92 0.898 -9.092 -5.225 1.00 0.00 O ATOM 1478 CB ILE A 92 1.415 -10.059 -2.385 1.00 0.00 C ATOM 1479 CG1 ILE A 92 1.016 -10.592 -1.022 1.00 0.00 C ATOM 1480 CG2 ILE A 92 2.801 -9.473 -2.311 1.00 0.00 C ATOM 1481 CD1 ILE A 92 2.124 -11.212 -0.238 1.00 0.00 C ATOM 0 H ILE A 92 -0.966 -10.374 -3.711 1.00 0.00 H new ATOM 0 HA ILE A 92 0.288 -8.248 -2.121 1.00 0.00 H new ATOM 0 HB ILE A 92 1.416 -10.882 -3.099 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.592 -9.775 -0.439 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.227 -11.332 -1.155 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.498 -10.231 -1.953 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.108 -9.137 -3.302 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.802 -8.626 -1.625 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.740 -11.562 0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.536 -12.054 -0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.907 -10.473 -0.067 1.00 0.00 H new ATOM 1493 N VAL A 93 1.436 -7.229 -4.102 1.00 0.00 N ATOM 1494 CA VAL A 93 2.149 -6.622 -5.203 1.00 0.00 C ATOM 1495 C VAL A 93 3.453 -6.049 -4.676 1.00 0.00 C ATOM 1496 O VAL A 93 3.477 -5.392 -3.634 1.00 0.00 O ATOM 1497 CB VAL A 93 1.324 -5.521 -5.906 1.00 0.00 C ATOM 1498 CG1 VAL A 93 2.112 -4.908 -7.050 1.00 0.00 C ATOM 1499 CG2 VAL A 93 0.006 -6.084 -6.421 1.00 0.00 C ATOM 0 H VAL A 93 1.358 -6.636 -3.275 1.00 0.00 H new ATOM 0 HA VAL A 93 2.342 -7.390 -5.952 1.00 0.00 H new ATOM 0 HB VAL A 93 1.109 -4.742 -5.175 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.513 -4.135 -7.531 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.031 -4.467 -6.664 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.359 -5.681 -7.777 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.560 -5.293 -6.913 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.206 -6.884 -7.134 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.572 -6.479 -5.586 1.00 0.00 H new ATOM 1509 N LYS A 94 4.529 -6.319 -5.380 1.00 0.00 N ATOM 1510 CA LYS A 94 5.837 -5.909 -4.930 1.00 0.00 C ATOM 1511 C LYS A 94 6.111 -4.469 -5.365 1.00 0.00 C ATOM 1512 O LYS A 94 5.665 -4.032 -6.429 1.00 0.00 O ATOM 1513 CB LYS A 94 6.897 -6.888 -5.440 1.00 0.00 C ATOM 1514 CG LYS A 94 7.802 -6.347 -6.524 1.00 0.00 C ATOM 1515 CD LYS A 94 9.030 -7.220 -6.634 1.00 0.00 C ATOM 1516 CE LYS A 94 10.221 -6.479 -7.215 1.00 0.00 C ATOM 1517 NZ LYS A 94 10.181 -5.013 -6.950 1.00 0.00 N ATOM 0 H LYS A 94 4.523 -6.822 -6.268 1.00 0.00 H new ATOM 0 HA LYS A 94 5.878 -5.930 -3.841 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.513 -7.203 -4.598 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.395 -7.778 -5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.273 -6.323 -7.477 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.091 -5.321 -6.294 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.290 -7.601 -5.647 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.803 -8.083 -7.260 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.139 -6.893 -6.797 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.257 -6.647 -8.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.991 -4.554 -7.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.297 -4.616 -7.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.227 -4.844 -5.925 1.00 0.00 H new ATOM 1531 N TRP A 95 6.815 -3.731 -4.515 1.00 0.00 N ATOM 1532 CA TRP A 95 7.043 -2.306 -4.734 1.00 0.00 C ATOM 1533 C TRP A 95 7.967 -2.080 -5.922 1.00 0.00 C ATOM 1534 O TRP A 95 9.099 -2.562 -5.946 1.00 0.00 O ATOM 1535 CB TRP A 95 7.624 -1.647 -3.467 1.00 0.00 C ATOM 1536 CG TRP A 95 7.983 -0.199 -3.648 1.00 0.00 C ATOM 1537 CD1 TRP A 95 7.125 0.833 -3.895 1.00 0.00 C ATOM 1538 CD2 TRP A 95 9.293 0.379 -3.585 1.00 0.00 C ATOM 1539 NE1 TRP A 95 7.816 2.011 -3.995 1.00 0.00 N ATOM 1540 CE2 TRP A 95 9.148 1.761 -3.810 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.574 -0.138 -3.364 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 10.229 2.633 -3.814 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.651 0.727 -3.374 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.473 2.103 -3.598 1.00 0.00 C ATOM 0 H TRP A 95 7.240 -4.097 -3.663 1.00 0.00 H new ATOM 0 HA TRP A 95 6.082 -1.841 -4.956 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.898 -1.734 -2.658 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.513 -2.196 -3.158 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.054 0.735 -3.997 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.404 2.926 -4.178 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.718 -1.194 -3.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 10.093 3.691 -3.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.645 0.340 -3.207 1.00 0.00 H new ATOM 0 HH2 TRP A 95 12.334 2.755 -3.600 1.00 0.00 H new ATOM 1555 N ASP A 96 7.464 -1.362 -6.912 1.00 0.00 N ATOM 1556 CA ASP A 96 8.253 -1.013 -8.079 1.00 0.00 C ATOM 1557 C ASP A 96 8.561 0.470 -8.083 1.00 0.00 C ATOM 1558 O ASP A 96 7.701 1.303 -7.801 1.00 0.00 O ATOM 1559 CB ASP A 96 7.520 -1.399 -9.373 1.00 0.00 C ATOM 1560 CG ASP A 96 6.263 -0.581 -9.615 1.00 0.00 C ATOM 1561 OD1 ASP A 96 6.352 0.482 -10.265 1.00 0.00 O ATOM 1562 OD2 ASP A 96 5.176 -1.004 -9.164 1.00 0.00 O ATOM 0 H ASP A 96 6.507 -1.008 -6.929 1.00 0.00 H new ATOM 0 HA ASP A 96 9.188 -1.571 -8.032 1.00 0.00 H new ATOM 0 HB2 ASP A 96 8.197 -1.272 -10.218 1.00 0.00 H new ATOM 0 HB3 ASP A 96 7.256 -2.456 -9.332 1.00 0.00 H new ATOM 1567 N ARG A 97 9.813 0.790 -8.347 1.00 0.00 N ATOM 1568 CA ARG A 97 10.216 2.167 -8.536 1.00 0.00 C ATOM 1569 C ARG A 97 10.307 2.458 -10.026 1.00 0.00 C ATOM 1570 O ARG A 97 10.055 3.570 -10.481 1.00 0.00 O ATOM 1571 CB ARG A 97 11.561 2.418 -7.835 1.00 0.00 C ATOM 1572 CG ARG A 97 12.773 1.768 -8.498 1.00 0.00 C ATOM 1573 CD ARG A 97 13.583 2.768 -9.320 1.00 0.00 C ATOM 1574 NE ARG A 97 14.151 3.835 -8.492 1.00 0.00 N ATOM 1575 CZ ARG A 97 14.837 4.871 -8.982 1.00 0.00 C ATOM 1576 NH1 ARG A 97 14.988 5.014 -10.293 1.00 0.00 N ATOM 1577 NH2 ARG A 97 15.357 5.774 -8.159 1.00 0.00 N ATOM 0 H ARG A 97 10.570 0.112 -8.435 1.00 0.00 H new ATOM 0 HA ARG A 97 9.479 2.838 -8.094 1.00 0.00 H new ATOM 0 HB2 ARG A 97 11.729 3.494 -7.782 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.491 2.056 -6.809 1.00 0.00 H new ATOM 0 HG2 ARG A 97 13.412 1.327 -7.732 1.00 0.00 H new ATOM 0 HG3 ARG A 97 12.440 0.955 -9.143 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.387 2.244 -9.836 1.00 0.00 H new ATOM 0 HD3 ARG A 97 12.945 3.207 -10.087 1.00 0.00 H new ATOM 0 HE ARG A 97 14.015 3.784 -7.482 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.579 4.331 -10.931 1.00 0.00 H new ATOM 0 HH12 ARG A 97 15.513 5.807 -10.662 1.00 0.00 H new ATOM 0 HH21 ARG A 97 15.233 5.677 -7.151 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.881 6.565 -8.535 1.00 0.00 H new ATOM 1591 N ASP A 98 10.672 1.424 -10.770 1.00 0.00 N ATOM 1592 CA ASP A 98 10.774 1.500 -12.222 1.00 0.00 C ATOM 1593 C ASP A 98 10.576 0.113 -12.822 1.00 0.00 C ATOM 1594 O ASP A 98 10.506 -0.057 -14.037 1.00 0.00 O ATOM 1595 CB ASP A 98 12.153 2.033 -12.604 1.00 0.00 C ATOM 1596 CG ASP A 98 12.260 2.408 -14.070 1.00 0.00 C ATOM 1597 OD1 ASP A 98 11.853 3.534 -14.426 1.00 0.00 O ATOM 1598 OD2 ASP A 98 12.770 1.592 -14.862 1.00 0.00 O ATOM 0 H ASP A 98 10.906 0.509 -10.385 1.00 0.00 H new ATOM 0 HA ASP A 98 10.005 2.170 -12.607 1.00 0.00 H new ATOM 0 HB2 ASP A 98 12.380 2.907 -11.994 1.00 0.00 H new ATOM 0 HB3 ASP A 98 12.905 1.279 -12.372 1.00 0.00 H new ATOM 1603 N MET A 99 10.459 -0.867 -11.938 1.00 0.00 N ATOM 1604 CA MET A 99 10.411 -2.272 -12.321 1.00 0.00 C ATOM 1605 C MET A 99 9.163 -2.567 -13.141 1.00 0.00 C ATOM 1606 CB MET A 99 10.424 -3.164 -11.074 1.00 0.00 C ATOM 1607 CG MET A 99 11.506 -2.800 -10.069 1.00 0.00 C ATOM 1608 SD MET A 99 13.168 -2.895 -10.759 1.00 0.00 S ATOM 1609 CE MET A 99 13.288 -4.647 -11.102 1.00 0.00 C ATOM 0 H MET A 99 10.394 -0.711 -10.932 1.00 0.00 H new ATOM 0 HA MET A 99 11.291 -2.485 -12.928 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.452 -3.103 -10.585 1.00 0.00 H new ATOM 0 HB3 MET A 99 10.561 -4.201 -11.382 1.00 0.00 H new ATOM 0 HG2 MET A 99 11.328 -1.789 -9.702 1.00 0.00 H new ATOM 0 HG3 MET A 99 11.436 -3.468 -9.210 1.00 0.00 H new ATOM 0 HE1 MET A 99 14.332 -4.916 -11.261 1.00 0.00 H new ATOM 0 HE2 MET A 99 12.893 -5.211 -10.257 1.00 0.00 H new ATOM 0 HE3 MET A 99 12.712 -4.883 -11.997 1.00 0.00 H new TER 1619 MET A 99