USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 992 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 78 SER OG : rot -106:sc= 1.46 USER MOD Set 1.2: A 80 CYS SG : rot 98:sc= -0.432 USER MOD Set 2.1: A 16 GLN : amide:sc= 1.85 K(o=3.8,f=-0.65) USER MOD Set 2.2: A 34 SER OG : rot -87:sc= 1.93 USER MOD Set 3.1: A 23 LYS NZ :NH3+ -174:sc= 2.39 (180deg=1.2) USER MOD Set 3.2: A 60 GLN : amide:sc= 1.27 K(o=3.7,f=-7.4!) USER MOD Set 4.1: A 13 CYS SG : rot 4:sc= 1.65 USER MOD Set 4.2: A 15 SER OG : rot 172:sc= 0.0248 USER MOD Set 4.3: A 40 SER OG : rot 18:sc= 1.26 USER MOD Set 5.1: A 2 LYS NZ :NH3+ 150:sc= 0.554 (180deg=0) USER MOD Set 5.2: A 131 SER OG : rot -158:sc= 0.948 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0123 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.14) USER MOD Single : A 5 MET CE :methyl -160:sc= 0 (180deg=-1.15) USER MOD Single : A 8 CYS SG : rot 67:sc= -0.0229 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 12 SER OG : rot -39:sc= 0.291 USER MOD Single : A 17 MET CE :methyl 157:sc= -0.746 (180deg=-2.33) USER MOD Single : A 24 THR OG1 : rot 79:sc= 1.24 USER MOD Single : A 29 LYS NZ :NH3+ -153:sc= 1.26 (180deg=1.04) USER MOD Single : A 33 THR OG1 : rot -160:sc=-0.00723 USER MOD Single : A 35 CYS SG : rot -140:sc= -0.271 USER MOD Single : A 39 SER OG : rot 180:sc= 0.124 USER MOD Single : A 43 HIS : no HD1:sc= 0.521 K(o=0.52,f=-8.6!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 155:sc= -0.108 (180deg=-0.254) USER MOD Single : A 50 MET CE :methyl -149:sc= 0 (180deg=-0.156) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc=-0.00453 USER MOD Single : A 62 SER OG : rot 80:sc= -0.108 USER MOD Single : A 67 ASN : amide:sc= 2.42 K(o=2.4,f=-0.0028) USER MOD Single : A 69 ASN : amide:sc= 1.01 K(o=1,f=-0.023) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 180:sc= 0.136 USER MOD Single : A 85 ASN : amide:sc= 0.34 X(o=0.34,f=0) USER MOD Single : A 92 THR OG1 : rot -17:sc= 0.135 USER MOD Single : A 93 GLN : amide:sc= -0.171! C(o=-0.17!,f=-6.8!) USER MOD Single : A 100 GLN : amide:sc= 0.228 K(o=0.23,f=-0.65) USER MOD Single : A 107 GLN : amide:sc= 2.18 K(o=2.2,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 72:sc= 1.23 USER MOD Single : A 118 GLN : amide:sc= -0.0323 X(o=-0.032,f=-0.032) USER MOD Single : A 120 LYS NZ :NH3+ -155:sc= 1.34 (180deg=1.17) USER MOD Single : A 125 ASN : amide:sc= 0.374 X(o=0.37,f=-0.014) USER MOD Single : A 129 LYS NZ :NH3+ -161:sc= 1.26 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.170 2.392 1.324 1.00 0.00 N ATOM 2 CA MET A 1 4.062 1.992 -0.117 1.00 0.00 C ATOM 3 C MET A 1 4.958 0.778 -0.428 1.00 0.00 C ATOM 4 O MET A 1 6.055 0.667 0.114 1.00 0.00 O ATOM 5 CB MET A 1 4.368 3.193 -1.055 1.00 0.00 C ATOM 6 CG MET A 1 4.233 2.890 -2.559 1.00 0.00 C ATOM 7 SD MET A 1 4.382 4.339 -3.640 1.00 0.00 S ATOM 8 CE MET A 1 2.679 4.971 -3.596 1.00 0.00 C ATOM 0 H1 MET A 1 4.283 3.424 1.390 1.00 0.00 H new ATOM 0 H2 MET A 1 3.308 2.105 1.829 1.00 0.00 H new ATOM 0 H3 MET A 1 4.994 1.925 1.753 1.00 0.00 H new ATOM 0 HA MET A 1 3.032 1.688 -0.305 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.696 4.013 -0.802 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.382 3.540 -0.858 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.996 2.164 -2.840 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.266 2.420 -2.736 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.607 5.865 -4.215 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.998 4.210 -3.977 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.409 5.218 -2.569 1.00 0.00 H new ATOM 18 N LYS A 2 4.519 -0.120 -1.333 1.00 0.00 N ATOM 19 CA LYS A 2 5.269 -1.321 -1.765 1.00 0.00 C ATOM 20 C LYS A 2 6.499 -0.964 -2.589 1.00 0.00 C ATOM 21 O LYS A 2 6.417 -0.154 -3.514 1.00 0.00 O ATOM 22 CB LYS A 2 4.356 -2.348 -2.467 1.00 0.00 C ATOM 23 CG LYS A 2 3.432 -1.761 -3.543 1.00 0.00 C ATOM 24 CD LYS A 2 2.485 -2.839 -4.087 1.00 0.00 C ATOM 25 CE LYS A 2 1.517 -2.281 -5.140 1.00 0.00 C ATOM 26 NZ LYS A 2 0.412 -1.450 -4.568 1.00 0.00 N ATOM 0 H LYS A 2 3.614 -0.030 -1.795 1.00 0.00 H new ATOM 0 HA LYS A 2 5.641 -1.808 -0.863 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.981 -3.115 -2.924 1.00 0.00 H new ATOM 0 HB3 LYS A 2 3.744 -2.843 -1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.853 -0.938 -3.124 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.028 -1.349 -4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.070 -3.647 -4.526 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.915 -3.269 -3.263 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.079 -1.679 -5.853 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.083 -3.112 -5.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.127 -0.728 -5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.402 -2.059 -4.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.742 -0.985 -3.698 1.00 0.00 H new ATOM 40 N LYS A 3 7.632 -1.588 -2.263 1.00 0.00 N ATOM 41 CA LYS A 3 8.919 -1.362 -2.930 1.00 0.00 C ATOM 42 C LYS A 3 9.256 -2.510 -3.880 1.00 0.00 C ATOM 43 O LYS A 3 9.312 -3.670 -3.476 1.00 0.00 O ATOM 44 CB LYS A 3 9.992 -1.089 -1.862 1.00 0.00 C ATOM 45 CG LYS A 3 11.242 -0.395 -2.426 1.00 0.00 C ATOM 46 CD LYS A 3 12.298 -0.097 -1.343 1.00 0.00 C ATOM 47 CE LYS A 3 11.779 0.855 -0.252 1.00 0.00 C ATOM 48 NZ LYS A 3 12.847 1.199 0.726 1.00 0.00 N ATOM 0 H LYS A 3 7.684 -2.278 -1.514 1.00 0.00 H new ATOM 0 HA LYS A 3 8.870 -0.480 -3.569 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.563 -0.468 -1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.285 -2.032 -1.400 1.00 0.00 H new ATOM 0 HG2 LYS A 3 11.686 -1.025 -3.196 1.00 0.00 H new ATOM 0 HG3 LYS A 3 10.948 0.538 -2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 3 12.614 -1.033 -0.882 1.00 0.00 H new ATOM 0 HD3 LYS A 3 13.179 0.341 -1.812 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.400 1.767 -0.714 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.942 0.390 0.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 12.499 1.932 1.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 13.108 0.350 1.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 13.681 1.555 0.218 1.00 0.00 H new ATOM 62 N VAL A 4 9.480 -2.165 -5.147 1.00 0.00 N ATOM 63 CA VAL A 4 9.806 -3.079 -6.247 1.00 0.00 C ATOM 64 C VAL A 4 11.317 -3.114 -6.463 1.00 0.00 C ATOM 65 O VAL A 4 11.893 -2.128 -6.925 1.00 0.00 O ATOM 66 CB VAL A 4 9.077 -2.669 -7.544 1.00 0.00 C ATOM 67 CG1 VAL A 4 9.355 -3.663 -8.680 1.00 0.00 C ATOM 68 CG2 VAL A 4 7.554 -2.616 -7.349 1.00 0.00 C ATOM 0 H VAL A 4 9.438 -1.193 -5.452 1.00 0.00 H new ATOM 0 HA VAL A 4 9.465 -4.079 -5.979 1.00 0.00 H new ATOM 0 HB VAL A 4 9.457 -1.680 -7.800 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.827 -3.345 -9.579 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.426 -3.696 -8.881 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.010 -4.655 -8.388 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.077 -2.324 -8.285 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.191 -3.599 -7.049 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.311 -1.888 -6.575 1.00 0.00 H new ATOM 78 N MET A 5 11.962 -4.240 -6.149 1.00 0.00 N ATOM 79 CA MET A 5 13.359 -4.484 -6.525 1.00 0.00 C ATOM 80 C MET A 5 13.423 -5.179 -7.884 1.00 0.00 C ATOM 81 O MET A 5 12.793 -6.219 -8.076 1.00 0.00 O ATOM 82 CB MET A 5 14.088 -5.337 -5.473 1.00 0.00 C ATOM 83 CG MET A 5 15.580 -5.513 -5.797 1.00 0.00 C ATOM 84 SD MET A 5 16.553 -3.987 -5.707 1.00 0.00 S ATOM 85 CE MET A 5 17.143 -4.108 -3.994 1.00 0.00 C ATOM 0 H MET A 5 11.534 -5.006 -5.629 1.00 0.00 H new ATOM 0 HA MET A 5 13.859 -3.517 -6.583 1.00 0.00 H new ATOM 0 HB2 MET A 5 13.984 -4.870 -4.494 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.614 -6.317 -5.411 1.00 0.00 H new ATOM 0 HG2 MET A 5 16.005 -6.241 -5.107 1.00 0.00 H new ATOM 0 HG3 MET A 5 15.674 -5.931 -6.799 1.00 0.00 H new ATOM 0 HE1 MET A 5 17.450 -3.122 -3.644 1.00 0.00 H new ATOM 0 HE2 MET A 5 16.341 -4.485 -3.359 1.00 0.00 H new ATOM 0 HE3 MET A 5 17.992 -4.790 -3.949 1.00 0.00 H new ATOM 95 N PHE A 6 14.233 -4.653 -8.800 1.00 0.00 N ATOM 96 CA PHE A 6 14.576 -5.317 -10.060 1.00 0.00 C ATOM 97 C PHE A 6 15.958 -5.977 -9.939 1.00 0.00 C ATOM 98 O PHE A 6 16.924 -5.290 -9.610 1.00 0.00 O ATOM 99 CB PHE A 6 14.480 -4.307 -11.211 1.00 0.00 C ATOM 100 CG PHE A 6 13.055 -3.908 -11.538 1.00 0.00 C ATOM 101 CD1 PHE A 6 12.249 -4.782 -12.287 1.00 0.00 C ATOM 102 CD2 PHE A 6 12.515 -2.695 -11.077 1.00 0.00 C ATOM 103 CE1 PHE A 6 10.925 -4.440 -12.601 1.00 0.00 C ATOM 104 CE2 PHE A 6 11.188 -2.353 -11.399 1.00 0.00 C ATOM 105 CZ PHE A 6 10.398 -3.211 -12.184 1.00 0.00 C ATOM 0 H PHE A 6 14.677 -3.741 -8.688 1.00 0.00 H new ATOM 0 HA PHE A 6 13.869 -6.117 -10.281 1.00 0.00 H new ATOM 0 HB2 PHE A 6 15.050 -3.415 -10.951 1.00 0.00 H new ATOM 0 HB3 PHE A 6 14.944 -4.734 -12.100 1.00 0.00 H new ATOM 0 HD1 PHE A 6 12.652 -5.725 -12.624 1.00 0.00 H new ATOM 0 HD2 PHE A 6 13.116 -2.027 -10.478 1.00 0.00 H new ATOM 0 HE1 PHE A 6 10.311 -5.126 -13.166 1.00 0.00 H new ATOM 0 HE2 PHE A 6 10.773 -1.423 -11.040 1.00 0.00 H new ATOM 0 HZ PHE A 6 9.394 -2.925 -12.463 1.00 0.00 H new ATOM 115 N VAL A 7 16.073 -7.284 -10.202 1.00 0.00 N ATOM 116 CA VAL A 7 17.328 -8.063 -10.076 1.00 0.00 C ATOM 117 C VAL A 7 17.748 -8.713 -11.393 1.00 0.00 C ATOM 118 O VAL A 7 16.914 -9.175 -12.164 1.00 0.00 O ATOM 119 CB VAL A 7 17.287 -9.104 -8.931 1.00 0.00 C ATOM 120 CG1 VAL A 7 16.989 -8.443 -7.584 1.00 0.00 C ATOM 121 CG2 VAL A 7 16.240 -10.206 -9.125 1.00 0.00 C ATOM 0 H VAL A 7 15.284 -7.849 -10.516 1.00 0.00 H new ATOM 0 HA VAL A 7 18.092 -7.332 -9.811 1.00 0.00 H new ATOM 0 HB VAL A 7 18.280 -9.553 -8.948 1.00 0.00 H new ATOM 0 HG11 VAL A 7 16.968 -9.203 -6.803 1.00 0.00 H new ATOM 0 HG12 VAL A 7 17.765 -7.712 -7.358 1.00 0.00 H new ATOM 0 HG13 VAL A 7 16.022 -7.943 -7.630 1.00 0.00 H new ATOM 0 HG21 VAL A 7 16.275 -10.894 -8.281 1.00 0.00 H new ATOM 0 HG22 VAL A 7 15.248 -9.759 -9.187 1.00 0.00 H new ATOM 0 HG23 VAL A 7 16.451 -10.750 -10.046 1.00 0.00 H new ATOM 131 N CYS A 8 19.054 -8.762 -11.657 1.00 0.00 N ATOM 132 CA CYS A 8 19.649 -9.429 -12.827 1.00 0.00 C ATOM 133 C CYS A 8 20.985 -10.101 -12.441 1.00 0.00 C ATOM 134 O CYS A 8 21.509 -9.826 -11.365 1.00 0.00 O ATOM 135 CB CYS A 8 19.786 -8.360 -13.931 1.00 0.00 C ATOM 136 SG CYS A 8 20.194 -9.074 -15.557 1.00 0.00 S ATOM 0 H CYS A 8 19.750 -8.329 -11.050 1.00 0.00 H new ATOM 0 HA CYS A 8 19.023 -10.239 -13.202 1.00 0.00 H new ATOM 0 HB2 CYS A 8 18.853 -7.802 -14.008 1.00 0.00 H new ATOM 0 HB3 CYS A 8 20.561 -7.648 -13.647 1.00 0.00 H new ATOM 0 HG CYS A 8 19.192 -9.785 -15.982 1.00 0.00 H new ATOM 142 N LYS A 9 21.564 -10.958 -13.295 1.00 0.00 N ATOM 143 CA LYS A 9 22.875 -11.603 -13.036 1.00 0.00 C ATOM 144 C LYS A 9 24.008 -10.563 -12.990 1.00 0.00 C ATOM 145 O LYS A 9 24.568 -10.316 -11.924 1.00 0.00 O ATOM 146 CB LYS A 9 23.132 -12.735 -14.061 1.00 0.00 C ATOM 147 CG LYS A 9 22.240 -13.960 -13.797 1.00 0.00 C ATOM 148 CD LYS A 9 22.237 -14.975 -14.957 1.00 0.00 C ATOM 149 CE LYS A 9 23.609 -15.560 -15.344 1.00 0.00 C ATOM 150 NZ LYS A 9 24.155 -16.500 -14.320 1.00 0.00 N ATOM 0 H LYS A 9 21.144 -11.228 -14.184 1.00 0.00 H new ATOM 0 HA LYS A 9 22.852 -12.067 -12.050 1.00 0.00 H new ATOM 0 HB2 LYS A 9 22.947 -12.362 -15.068 1.00 0.00 H new ATOM 0 HB3 LYS A 9 24.180 -13.033 -14.018 1.00 0.00 H new ATOM 0 HG2 LYS A 9 22.579 -14.458 -12.889 1.00 0.00 H new ATOM 0 HG3 LYS A 9 21.219 -13.625 -13.615 1.00 0.00 H new ATOM 0 HD2 LYS A 9 21.574 -15.799 -14.691 1.00 0.00 H new ATOM 0 HD3 LYS A 9 21.809 -14.492 -15.835 1.00 0.00 H new ATOM 0 HE2 LYS A 9 23.519 -16.082 -16.297 1.00 0.00 H new ATOM 0 HE3 LYS A 9 24.316 -14.744 -15.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 25.078 -16.860 -14.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 24.270 -16.000 -13.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 23.498 -17.296 -14.194 1.00 0.00 H new ATOM 164 N ARG A 10 24.287 -9.937 -14.144 1.00 0.00 N ATOM 165 CA ARG A 10 25.179 -8.758 -14.309 1.00 0.00 C ATOM 166 C ARG A 10 25.037 -8.093 -15.688 1.00 0.00 C ATOM 167 O ARG A 10 24.849 -6.886 -15.785 1.00 0.00 O ATOM 168 CB ARG A 10 26.654 -9.172 -14.074 1.00 0.00 C ATOM 169 CG ARG A 10 27.517 -7.948 -13.717 1.00 0.00 C ATOM 170 CD ARG A 10 28.991 -8.290 -13.464 1.00 0.00 C ATOM 171 NE ARG A 10 29.692 -8.738 -14.690 1.00 0.00 N ATOM 172 CZ ARG A 10 30.924 -9.212 -14.758 1.00 0.00 C ATOM 173 NH1 ARG A 10 31.681 -9.327 -13.704 1.00 0.00 N ATOM 174 NH2 ARG A 10 31.428 -9.583 -15.901 1.00 0.00 N ATOM 0 H ARG A 10 23.885 -10.244 -15.030 1.00 0.00 H new ATOM 0 HA ARG A 10 24.874 -8.022 -13.565 1.00 0.00 H new ATOM 0 HB2 ARG A 10 26.706 -9.906 -13.270 1.00 0.00 H new ATOM 0 HB3 ARG A 10 27.049 -9.652 -14.970 1.00 0.00 H new ATOM 0 HG2 ARG A 10 27.455 -7.221 -14.527 1.00 0.00 H new ATOM 0 HG3 ARG A 10 27.105 -7.470 -12.828 1.00 0.00 H new ATOM 0 HD2 ARG A 10 29.499 -7.414 -13.059 1.00 0.00 H new ATOM 0 HD3 ARG A 10 29.054 -9.073 -12.708 1.00 0.00 H new ATOM 0 HE ARG A 10 29.174 -8.675 -15.566 1.00 0.00 H new ATOM 0 HH11 ARG A 10 31.327 -9.047 -12.789 1.00 0.00 H new ATOM 0 HH12 ARG A 10 32.627 -9.697 -13.794 1.00 0.00 H new ATOM 0 HH21 ARG A 10 30.871 -9.509 -16.752 1.00 0.00 H new ATOM 0 HH22 ARG A 10 32.380 -9.948 -15.944 1.00 0.00 H new ATOM 188 N ASN A 11 25.123 -8.900 -16.752 1.00 0.00 N ATOM 189 CA ASN A 11 25.234 -8.461 -18.155 1.00 0.00 C ATOM 190 C ASN A 11 24.107 -7.507 -18.620 1.00 0.00 C ATOM 191 O ASN A 11 22.919 -7.804 -18.470 1.00 0.00 O ATOM 192 CB ASN A 11 25.332 -9.728 -19.033 1.00 0.00 C ATOM 193 CG ASN A 11 25.423 -9.419 -20.521 1.00 0.00 C ATOM 194 OD1 ASN A 11 24.423 -9.354 -21.214 1.00 0.00 O ATOM 195 ND2 ASN A 11 26.606 -9.172 -21.036 1.00 0.00 N ATOM 0 H ASN A 11 25.117 -9.916 -16.660 1.00 0.00 H new ATOM 0 HA ASN A 11 26.132 -7.852 -18.256 1.00 0.00 H new ATOM 0 HB2 ASN A 11 26.208 -10.303 -18.733 1.00 0.00 H new ATOM 0 HB3 ASN A 11 24.460 -10.357 -18.851 1.00 0.00 H new ATOM 0 HD21 ASN A 11 26.691 -8.924 -22.022 1.00 0.00 H new ATOM 0 HD22 ASN A 11 27.439 -9.228 -20.450 1.00 0.00 H new ATOM 202 N SER A 12 24.497 -6.375 -19.222 1.00 0.00 N ATOM 203 CA SER A 12 23.632 -5.308 -19.773 1.00 0.00 C ATOM 204 C SER A 12 22.694 -4.605 -18.775 1.00 0.00 C ATOM 205 O SER A 12 21.839 -3.840 -19.200 1.00 0.00 O ATOM 206 CB SER A 12 22.933 -5.814 -21.039 1.00 0.00 C ATOM 207 OG SER A 12 22.440 -4.745 -21.833 1.00 0.00 O ATOM 0 H SER A 12 25.486 -6.161 -19.348 1.00 0.00 H new ATOM 0 HA SER A 12 24.296 -4.487 -20.041 1.00 0.00 H new ATOM 0 HB2 SER A 12 23.631 -6.410 -21.626 1.00 0.00 H new ATOM 0 HB3 SER A 12 22.108 -6.470 -20.761 1.00 0.00 H new ATOM 0 HG SER A 12 22.073 -4.047 -21.251 1.00 0.00 H new ATOM 213 N CYS A 13 22.839 -4.838 -17.463 1.00 0.00 N ATOM 214 CA CYS A 13 22.185 -4.104 -16.357 1.00 0.00 C ATOM 215 C CYS A 13 20.688 -3.799 -16.543 1.00 0.00 C ATOM 216 O CYS A 13 20.181 -2.727 -16.210 1.00 0.00 O ATOM 217 CB CYS A 13 23.063 -2.905 -15.986 1.00 0.00 C ATOM 218 SG CYS A 13 24.667 -3.589 -15.480 1.00 0.00 S ATOM 0 H CYS A 13 23.447 -5.582 -17.121 1.00 0.00 H new ATOM 0 HA CYS A 13 22.127 -4.771 -15.497 1.00 0.00 H new ATOM 0 HB2 CYS A 13 23.178 -2.230 -16.834 1.00 0.00 H new ATOM 0 HB3 CYS A 13 22.613 -2.328 -15.178 1.00 0.00 H new ATOM 0 HG CYS A 13 24.661 -4.878 -15.648 1.00 0.00 H new ATOM 224 N ARG A 14 19.951 -4.812 -17.013 1.00 0.00 N ATOM 225 CA ARG A 14 18.500 -4.812 -17.255 1.00 0.00 C ATOM 226 C ARG A 14 17.710 -4.544 -15.975 1.00 0.00 C ATOM 227 O ARG A 14 16.620 -4.012 -16.055 1.00 0.00 O ATOM 228 CB ARG A 14 18.129 -6.154 -17.928 1.00 0.00 C ATOM 229 CG ARG A 14 18.642 -6.232 -19.382 1.00 0.00 C ATOM 230 CD ARG A 14 18.715 -7.682 -19.892 1.00 0.00 C ATOM 231 NE ARG A 14 19.914 -8.392 -19.387 1.00 0.00 N ATOM 232 CZ ARG A 14 20.152 -9.694 -19.431 1.00 0.00 C ATOM 233 NH1 ARG A 14 19.303 -10.551 -19.921 1.00 0.00 N ATOM 234 NH2 ARG A 14 21.283 -10.149 -18.976 1.00 0.00 N ATOM 0 H ARG A 14 20.376 -5.709 -17.249 1.00 0.00 H new ATOM 0 HA ARG A 14 18.229 -3.995 -17.924 1.00 0.00 H new ATOM 0 HB2 ARG A 14 18.549 -6.978 -17.351 1.00 0.00 H new ATOM 0 HB3 ARG A 14 17.046 -6.277 -17.918 1.00 0.00 H new ATOM 0 HG2 ARG A 14 17.984 -5.653 -20.030 1.00 0.00 H new ATOM 0 HG3 ARG A 14 19.630 -5.777 -19.442 1.00 0.00 H new ATOM 0 HD2 ARG A 14 17.819 -8.220 -19.583 1.00 0.00 H new ATOM 0 HD3 ARG A 14 18.727 -7.682 -20.982 1.00 0.00 H new ATOM 0 HE ARG A 14 20.636 -7.813 -18.958 1.00 0.00 H new ATOM 0 HH11 ARG A 14 18.410 -10.228 -20.293 1.00 0.00 H new ATOM 0 HH12 ARG A 14 19.531 -11.545 -19.933 1.00 0.00 H new ATOM 0 HH21 ARG A 14 21.974 -9.505 -18.591 1.00 0.00 H new ATOM 0 HH22 ARG A 14 21.478 -11.150 -19.004 1.00 0.00 H new ATOM 248 N SER A 15 18.284 -4.805 -14.801 1.00 0.00 N ATOM 249 CA SER A 15 17.743 -4.399 -13.492 1.00 0.00 C ATOM 250 C SER A 15 17.683 -2.875 -13.337 1.00 0.00 C ATOM 251 O SER A 15 16.621 -2.323 -13.066 1.00 0.00 O ATOM 252 CB SER A 15 18.616 -5.010 -12.399 1.00 0.00 C ATOM 253 OG SER A 15 19.981 -4.780 -12.725 1.00 0.00 O ATOM 0 H SER A 15 19.162 -5.318 -14.726 1.00 0.00 H new ATOM 0 HA SER A 15 16.718 -4.761 -13.411 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.378 -4.566 -11.433 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.423 -6.079 -12.314 1.00 0.00 H new ATOM 0 HG SER A 15 20.547 -5.054 -11.974 1.00 0.00 H new ATOM 259 N GLN A 16 18.802 -2.180 -13.567 1.00 0.00 N ATOM 260 CA GLN A 16 18.875 -0.708 -13.474 1.00 0.00 C ATOM 261 C GLN A 16 18.043 -0.034 -14.573 1.00 0.00 C ATOM 262 O GLN A 16 17.395 0.980 -14.314 1.00 0.00 O ATOM 263 CB GLN A 16 20.342 -0.224 -13.491 1.00 0.00 C ATOM 264 CG GLN A 16 21.256 -0.851 -12.415 1.00 0.00 C ATOM 265 CD GLN A 16 21.818 0.145 -11.397 1.00 0.00 C ATOM 266 OE1 GLN A 16 22.923 0.657 -11.513 1.00 0.00 O ATOM 267 NE2 GLN A 16 21.101 0.430 -10.334 1.00 0.00 N ATOM 0 H GLN A 16 19.687 -2.618 -13.824 1.00 0.00 H new ATOM 0 HA GLN A 16 18.442 -0.413 -12.518 1.00 0.00 H new ATOM 0 HB2 GLN A 16 20.766 -0.436 -14.473 1.00 0.00 H new ATOM 0 HB3 GLN A 16 20.352 0.859 -13.366 1.00 0.00 H new ATOM 0 HG2 GLN A 16 20.694 -1.618 -11.881 1.00 0.00 H new ATOM 0 HG3 GLN A 16 22.088 -1.352 -12.910 1.00 0.00 H new ATOM 0 HE21 GLN A 16 20.177 0.015 -10.216 1.00 0.00 H new ATOM 0 HE22 GLN A 16 21.468 1.066 -9.627 1.00 0.00 H new ATOM 276 N MET A 17 17.985 -0.633 -15.770 1.00 0.00 N ATOM 277 CA MET A 17 17.128 -0.154 -16.867 1.00 0.00 C ATOM 278 C MET A 17 15.631 -0.386 -16.584 1.00 0.00 C ATOM 279 O MET A 17 14.826 0.527 -16.758 1.00 0.00 O ATOM 280 CB MET A 17 17.587 -0.782 -18.199 1.00 0.00 C ATOM 281 CG MET A 17 17.733 0.259 -19.315 1.00 0.00 C ATOM 282 SD MET A 17 16.195 1.051 -19.855 1.00 0.00 S ATOM 283 CE MET A 17 16.197 2.617 -18.927 1.00 0.00 C ATOM 0 H MET A 17 18.530 -1.462 -16.007 1.00 0.00 H new ATOM 0 HA MET A 17 17.240 0.927 -16.947 1.00 0.00 H new ATOM 0 HB2 MET A 17 18.541 -1.287 -18.050 1.00 0.00 H new ATOM 0 HB3 MET A 17 16.869 -1.542 -18.506 1.00 0.00 H new ATOM 0 HG2 MET A 17 18.420 1.034 -18.976 1.00 0.00 H new ATOM 0 HG3 MET A 17 18.195 -0.222 -20.177 1.00 0.00 H new ATOM 0 HE1 MET A 17 15.571 3.346 -19.442 1.00 0.00 H new ATOM 0 HE2 MET A 17 15.805 2.446 -17.924 1.00 0.00 H new ATOM 0 HE3 MET A 17 17.216 2.998 -18.858 1.00 0.00 H new ATOM 293 N ALA A 18 15.256 -1.559 -16.057 1.00 0.00 N ATOM 294 CA ALA A 18 13.875 -1.834 -15.619 1.00 0.00 C ATOM 295 C ALA A 18 13.392 -0.859 -14.527 1.00 0.00 C ATOM 296 O ALA A 18 12.273 -0.351 -14.625 1.00 0.00 O ATOM 297 CB ALA A 18 13.775 -3.290 -15.162 1.00 0.00 C ATOM 0 H ALA A 18 15.895 -2.342 -15.921 1.00 0.00 H new ATOM 0 HA ALA A 18 13.209 -1.675 -16.467 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.756 -3.500 -14.837 1.00 0.00 H new ATOM 0 HB2 ALA A 18 14.035 -3.950 -15.990 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.463 -3.459 -14.333 1.00 0.00 H new ATOM 303 N GLU A 19 14.243 -0.506 -13.548 1.00 0.00 N ATOM 304 CA GLU A 19 13.921 0.552 -12.573 1.00 0.00 C ATOM 305 C GLU A 19 13.606 1.886 -13.260 1.00 0.00 C ATOM 306 O GLU A 19 12.647 2.538 -12.869 1.00 0.00 O ATOM 307 CB GLU A 19 15.065 0.739 -11.560 1.00 0.00 C ATOM 308 CG GLU A 19 14.718 1.744 -10.442 1.00 0.00 C ATOM 309 CD GLU A 19 15.947 2.225 -9.650 1.00 0.00 C ATOM 310 OE1 GLU A 19 16.839 1.393 -9.362 1.00 0.00 O ATOM 311 OE2 GLU A 19 16.009 3.428 -9.302 1.00 0.00 O ATOM 0 H GLU A 19 15.157 -0.937 -13.411 1.00 0.00 H new ATOM 0 HA GLU A 19 13.027 0.228 -12.040 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.309 -0.225 -11.113 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.957 1.081 -12.085 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.218 2.607 -10.882 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.010 1.281 -9.754 1.00 0.00 H new ATOM 318 N GLY A 20 14.343 2.270 -14.308 1.00 0.00 N ATOM 319 CA GLY A 20 14.111 3.520 -15.044 1.00 0.00 C ATOM 320 C GLY A 20 12.699 3.625 -15.607 1.00 0.00 C ATOM 321 O GLY A 20 11.979 4.575 -15.303 1.00 0.00 O ATOM 0 H GLY A 20 15.121 1.720 -14.672 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.296 4.365 -14.381 1.00 0.00 H new ATOM 0 HA3 GLY A 20 14.829 3.593 -15.861 1.00 0.00 H new ATOM 325 N PHE A 21 12.244 2.627 -16.369 1.00 0.00 N ATOM 326 CA PHE A 21 10.865 2.627 -16.886 1.00 0.00 C ATOM 327 C PHE A 21 9.832 2.503 -15.759 1.00 0.00 C ATOM 328 O PHE A 21 8.839 3.226 -15.755 1.00 0.00 O ATOM 329 CB PHE A 21 10.692 1.541 -17.960 1.00 0.00 C ATOM 330 CG PHE A 21 11.210 1.946 -19.317 1.00 0.00 C ATOM 331 CD1 PHE A 21 10.347 2.615 -20.207 1.00 0.00 C ATOM 332 CD2 PHE A 21 12.534 1.671 -19.692 1.00 0.00 C ATOM 333 CE1 PHE A 21 10.815 3.033 -21.463 1.00 0.00 C ATOM 334 CE2 PHE A 21 13.000 2.093 -20.949 1.00 0.00 C ATOM 335 CZ PHE A 21 12.147 2.787 -21.826 1.00 0.00 C ATOM 0 H PHE A 21 12.799 1.816 -16.641 1.00 0.00 H new ATOM 0 HA PHE A 21 10.681 3.591 -17.360 1.00 0.00 H new ATOM 0 HB2 PHE A 21 11.209 0.637 -17.638 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.635 1.290 -18.044 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.323 2.807 -19.923 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.190 1.139 -19.019 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.152 3.542 -22.147 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.018 1.883 -21.243 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.518 3.131 -22.780 1.00 0.00 H new ATOM 345 N ALA A 22 10.085 1.655 -14.759 1.00 0.00 N ATOM 346 CA ALA A 22 9.168 1.458 -13.634 1.00 0.00 C ATOM 347 C ALA A 22 8.995 2.712 -12.762 1.00 0.00 C ATOM 348 O ALA A 22 7.873 3.020 -12.382 1.00 0.00 O ATOM 349 CB ALA A 22 9.675 0.273 -12.812 1.00 0.00 C ATOM 0 H ALA A 22 10.930 1.086 -14.707 1.00 0.00 H new ATOM 0 HA ALA A 22 8.174 1.252 -14.030 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.008 0.105 -11.966 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.700 -0.619 -13.437 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.679 0.487 -12.445 1.00 0.00 H new ATOM 355 N LYS A 23 10.058 3.478 -12.490 1.00 0.00 N ATOM 356 CA LYS A 23 9.982 4.717 -11.691 1.00 0.00 C ATOM 357 C LYS A 23 9.394 5.895 -12.482 1.00 0.00 C ATOM 358 O LYS A 23 8.755 6.758 -11.891 1.00 0.00 O ATOM 359 CB LYS A 23 11.351 5.026 -11.045 1.00 0.00 C ATOM 360 CG LYS A 23 12.333 5.729 -11.992 1.00 0.00 C ATOM 361 CD LYS A 23 13.722 5.930 -11.378 1.00 0.00 C ATOM 362 CE LYS A 23 14.466 6.976 -12.222 1.00 0.00 C ATOM 363 NZ LYS A 23 15.907 7.058 -11.871 1.00 0.00 N ATOM 0 H LYS A 23 10.999 3.260 -12.816 1.00 0.00 H new ATOM 0 HA LYS A 23 9.275 4.554 -10.878 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.196 5.652 -10.166 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.798 4.094 -10.698 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.428 5.144 -12.907 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.924 6.699 -12.275 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.637 6.265 -10.344 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.273 4.989 -11.364 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.365 6.727 -13.278 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.003 7.952 -12.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 16.347 7.844 -12.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.007 7.221 -10.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.378 6.167 -12.127 1.00 0.00 H new ATOM 377 N THR A 24 9.572 5.915 -13.810 1.00 0.00 N ATOM 378 CA THR A 24 9.027 6.981 -14.681 1.00 0.00 C ATOM 379 C THR A 24 7.526 6.792 -14.935 1.00 0.00 C ATOM 380 O THR A 24 6.763 7.751 -14.852 1.00 0.00 O ATOM 381 CB THR A 24 9.777 7.067 -16.023 1.00 0.00 C ATOM 382 OG1 THR A 24 11.170 7.143 -15.807 1.00 0.00 O ATOM 383 CG2 THR A 24 9.419 8.326 -16.810 1.00 0.00 C ATOM 0 H THR A 24 10.094 5.199 -14.315 1.00 0.00 H new ATOM 0 HA THR A 24 9.174 7.919 -14.146 1.00 0.00 H new ATOM 0 HB THR A 24 9.489 6.173 -16.576 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.519 6.250 -15.602 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.974 8.339 -17.748 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.350 8.331 -17.021 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.677 9.208 -16.223 1.00 0.00 H new ATOM 391 N LEU A 25 7.086 5.555 -15.211 1.00 0.00 N ATOM 392 CA LEU A 25 5.687 5.245 -15.577 1.00 0.00 C ATOM 393 C LEU A 25 4.841 4.820 -14.363 1.00 0.00 C ATOM 394 O LEU A 25 3.659 5.148 -14.276 1.00 0.00 O ATOM 395 CB LEU A 25 5.677 4.182 -16.693 1.00 0.00 C ATOM 396 CG LEU A 25 6.541 4.535 -17.917 1.00 0.00 C ATOM 397 CD1 LEU A 25 6.459 3.404 -18.934 1.00 0.00 C ATOM 398 CD2 LEU A 25 6.135 5.835 -18.618 1.00 0.00 C ATOM 0 H LEU A 25 7.691 4.734 -15.188 1.00 0.00 H new ATOM 0 HA LEU A 25 5.218 6.155 -15.952 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.025 3.235 -16.279 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.649 4.028 -17.022 1.00 0.00 H new ATOM 0 HG LEU A 25 7.553 4.677 -17.537 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.070 3.651 -19.802 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.825 2.482 -18.483 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.423 3.269 -19.245 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.793 6.010 -19.469 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.105 5.754 -18.966 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.217 6.667 -17.918 1.00 0.00 H new ATOM 410 N GLY A 26 5.474 4.144 -13.399 1.00 0.00 N ATOM 411 CA GLY A 26 4.929 3.834 -12.071 1.00 0.00 C ATOM 412 C GLY A 26 5.116 4.968 -11.063 1.00 0.00 C ATOM 413 O GLY A 26 4.913 4.750 -9.865 1.00 0.00 O ATOM 0 H GLY A 26 6.419 3.782 -13.527 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.866 3.612 -12.165 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.411 2.934 -11.689 1.00 0.00 H new ATOM 417 N ALA A 27 5.508 6.168 -11.517 1.00 0.00 N ATOM 418 CA ALA A 27 5.539 7.371 -10.675 1.00 0.00 C ATOM 419 C ALA A 27 4.220 7.546 -9.885 1.00 0.00 C ATOM 420 O ALA A 27 3.134 7.587 -10.467 1.00 0.00 O ATOM 421 CB ALA A 27 5.826 8.597 -11.552 1.00 0.00 C ATOM 0 H ALA A 27 5.812 6.331 -12.477 1.00 0.00 H new ATOM 0 HA ALA A 27 6.336 7.263 -9.939 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.850 9.492 -10.930 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.789 8.473 -12.046 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.043 8.698 -12.303 1.00 0.00 H new ATOM 427 N GLY A 28 4.315 7.616 -8.551 1.00 0.00 N ATOM 428 CA GLY A 28 3.158 7.731 -7.651 1.00 0.00 C ATOM 429 C GLY A 28 2.375 6.432 -7.388 1.00 0.00 C ATOM 430 O GLY A 28 1.309 6.500 -6.769 1.00 0.00 O ATOM 0 H GLY A 28 5.208 7.594 -8.059 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.504 8.123 -6.695 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.471 8.468 -8.067 1.00 0.00 H new ATOM 434 N LYS A 29 2.867 5.258 -7.825 1.00 0.00 N ATOM 435 CA LYS A 29 2.197 3.950 -7.653 1.00 0.00 C ATOM 436 C LYS A 29 3.017 2.965 -6.830 1.00 0.00 C ATOM 437 O LYS A 29 2.454 2.093 -6.176 1.00 0.00 O ATOM 438 CB LYS A 29 1.911 3.339 -9.033 1.00 0.00 C ATOM 439 CG LYS A 29 0.781 4.069 -9.775 1.00 0.00 C ATOM 440 CD LYS A 29 0.495 3.374 -11.117 1.00 0.00 C ATOM 441 CE LYS A 29 -0.759 3.906 -11.827 1.00 0.00 C ATOM 442 NZ LYS A 29 -2.015 3.526 -11.120 1.00 0.00 N ATOM 0 H LYS A 29 3.758 5.188 -8.317 1.00 0.00 H new ATOM 0 HA LYS A 29 1.271 4.134 -7.108 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.818 3.371 -9.636 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.644 2.289 -8.914 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.120 4.079 -9.162 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.060 5.108 -9.947 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.356 3.501 -11.773 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.379 2.304 -10.946 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.700 4.992 -11.899 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.788 3.520 -12.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.798 3.482 -11.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.893 2.595 -10.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.231 4.235 -10.391 1.00 0.00 H new ATOM 456 N ILE A 30 4.341 3.075 -6.916 1.00 0.00 N ATOM 457 CA ILE A 30 5.307 2.160 -6.306 1.00 0.00 C ATOM 458 C ILE A 30 6.612 2.868 -5.916 1.00 0.00 C ATOM 459 O ILE A 30 6.984 3.887 -6.500 1.00 0.00 O ATOM 460 CB ILE A 30 5.664 1.016 -7.287 1.00 0.00 C ATOM 461 CG1 ILE A 30 6.050 1.499 -8.705 1.00 0.00 C ATOM 462 CG2 ILE A 30 4.554 -0.044 -7.362 1.00 0.00 C ATOM 463 CD1 ILE A 30 6.874 0.467 -9.488 1.00 0.00 C ATOM 0 H ILE A 30 4.789 3.832 -7.432 1.00 0.00 H new ATOM 0 HA ILE A 30 4.832 1.767 -5.407 1.00 0.00 H new ATOM 0 HB ILE A 30 6.558 0.557 -6.865 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.143 1.730 -9.263 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.620 2.425 -8.625 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.846 -0.828 -8.061 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.398 -0.478 -6.374 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.629 0.421 -7.703 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.113 0.865 -10.474 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.797 0.254 -8.949 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.297 -0.452 -9.598 1.00 0.00 H new ATOM 475 N ALA A 31 7.325 2.278 -4.954 1.00 0.00 N ATOM 476 CA ALA A 31 8.707 2.648 -4.631 1.00 0.00 C ATOM 477 C ALA A 31 9.609 1.712 -5.463 1.00 0.00 C ATOM 478 O ALA A 31 9.225 0.567 -5.693 1.00 0.00 O ATOM 479 CB ALA A 31 8.928 2.578 -3.115 1.00 0.00 C ATOM 0 H ALA A 31 6.958 1.525 -4.373 1.00 0.00 H new ATOM 0 HA ALA A 31 8.950 3.678 -4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.957 2.854 -2.884 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.247 3.267 -2.616 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.738 1.563 -2.766 1.00 0.00 H new ATOM 485 N VAL A 32 10.766 2.155 -5.963 1.00 0.00 N ATOM 486 CA VAL A 32 11.548 1.372 -6.951 1.00 0.00 C ATOM 487 C VAL A 32 13.059 1.402 -6.696 1.00 0.00 C ATOM 488 O VAL A 32 13.623 2.456 -6.403 1.00 0.00 O ATOM 489 CB VAL A 32 11.279 1.834 -8.402 1.00 0.00 C ATOM 490 CG1 VAL A 32 11.331 0.630 -9.343 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.911 2.498 -8.628 1.00 0.00 C ATOM 0 H VAL A 32 11.189 3.047 -5.707 1.00 0.00 H new ATOM 0 HA VAL A 32 11.203 0.346 -6.823 1.00 0.00 H new ATOM 0 HB VAL A 32 12.052 2.576 -8.601 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.141 0.958 -10.365 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.316 0.167 -9.288 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.573 -0.095 -9.048 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.815 2.787 -9.675 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.119 1.795 -8.372 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.828 3.383 -7.998 1.00 0.00 H new ATOM 501 N THR A 33 13.713 0.246 -6.857 1.00 0.00 N ATOM 502 CA THR A 33 15.165 0.048 -6.676 1.00 0.00 C ATOM 503 C THR A 33 15.671 -1.061 -7.609 1.00 0.00 C ATOM 504 O THR A 33 14.885 -1.882 -8.091 1.00 0.00 O ATOM 505 CB THR A 33 15.476 -0.316 -5.207 1.00 0.00 C ATOM 506 OG1 THR A 33 14.791 0.543 -4.312 1.00 0.00 O ATOM 507 CG2 THR A 33 16.953 -0.233 -4.816 1.00 0.00 C ATOM 0 H THR A 33 13.232 -0.612 -7.127 1.00 0.00 H new ATOM 0 HA THR A 33 15.676 0.978 -6.925 1.00 0.00 H new ATOM 0 HB THR A 33 15.151 -1.354 -5.133 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.227 0.516 -3.435 1.00 0.00 H new ATOM 0 HG21 THR A 33 17.068 -0.507 -3.767 1.00 0.00 H new ATOM 0 HG22 THR A 33 17.532 -0.918 -5.435 1.00 0.00 H new ATOM 0 HG23 THR A 33 17.313 0.785 -4.967 1.00 0.00 H new ATOM 515 N SER A 34 16.979 -1.127 -7.863 1.00 0.00 N ATOM 516 CA SER A 34 17.604 -2.180 -8.677 1.00 0.00 C ATOM 517 C SER A 34 18.915 -2.715 -8.093 1.00 0.00 C ATOM 518 O SER A 34 19.659 -2.020 -7.399 1.00 0.00 O ATOM 519 CB SER A 34 17.797 -1.708 -10.114 1.00 0.00 C ATOM 520 OG SER A 34 18.441 -0.453 -10.149 1.00 0.00 O ATOM 0 H SER A 34 17.646 -0.443 -7.506 1.00 0.00 H new ATOM 0 HA SER A 34 16.911 -3.021 -8.668 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.387 -2.440 -10.665 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.830 -1.639 -10.611 1.00 0.00 H new ATOM 0 HG SER A 34 17.772 0.260 -10.084 1.00 0.00 H new ATOM 526 N CYS A 35 19.182 -3.985 -8.394 1.00 0.00 N ATOM 527 CA CYS A 35 20.236 -4.811 -7.812 1.00 0.00 C ATOM 528 C CYS A 35 20.799 -5.778 -8.874 1.00 0.00 C ATOM 529 O CYS A 35 20.126 -6.086 -9.860 1.00 0.00 O ATOM 530 CB CYS A 35 19.572 -5.503 -6.605 1.00 0.00 C ATOM 531 SG CYS A 35 20.432 -7.005 -6.058 1.00 0.00 S ATOM 0 H CYS A 35 18.637 -4.493 -9.090 1.00 0.00 H new ATOM 0 HA CYS A 35 21.106 -4.247 -7.476 1.00 0.00 H new ATOM 0 HB2 CYS A 35 19.526 -4.799 -5.774 1.00 0.00 H new ATOM 0 HB3 CYS A 35 18.544 -5.758 -6.864 1.00 0.00 H new ATOM 0 HG CYS A 35 19.558 -7.912 -5.736 1.00 0.00 H new ATOM 537 N GLY A 36 22.022 -6.275 -8.683 1.00 0.00 N ATOM 538 CA GLY A 36 22.589 -7.358 -9.492 1.00 0.00 C ATOM 539 C GLY A 36 23.282 -8.406 -8.623 1.00 0.00 C ATOM 540 O GLY A 36 23.880 -8.061 -7.604 1.00 0.00 O ATOM 0 H GLY A 36 22.653 -5.935 -7.957 1.00 0.00 H new ATOM 0 HA2 GLY A 36 21.797 -7.832 -10.073 1.00 0.00 H new ATOM 0 HA3 GLY A 36 23.303 -6.945 -10.204 1.00 0.00 H new ATOM 544 N LEU A 37 23.231 -9.683 -9.019 1.00 0.00 N ATOM 545 CA LEU A 37 23.877 -10.767 -8.253 1.00 0.00 C ATOM 546 C LEU A 37 25.388 -10.507 -8.109 1.00 0.00 C ATOM 547 O LEU A 37 25.938 -10.616 -7.012 1.00 0.00 O ATOM 548 CB LEU A 37 23.639 -12.144 -8.906 1.00 0.00 C ATOM 549 CG LEU A 37 22.180 -12.567 -9.141 1.00 0.00 C ATOM 550 CD1 LEU A 37 22.155 -14.019 -9.621 1.00 0.00 C ATOM 551 CD2 LEU A 37 21.297 -12.477 -7.901 1.00 0.00 C ATOM 0 H LEU A 37 22.751 -9.996 -9.863 1.00 0.00 H new ATOM 0 HA LEU A 37 23.423 -10.779 -7.262 1.00 0.00 H new ATOM 0 HB2 LEU A 37 24.153 -12.156 -9.867 1.00 0.00 H new ATOM 0 HB3 LEU A 37 24.114 -12.901 -8.281 1.00 0.00 H new ATOM 0 HG LEU A 37 21.780 -11.871 -9.879 1.00 0.00 H new ATOM 0 HD11 LEU A 37 21.124 -14.328 -9.791 1.00 0.00 H new ATOM 0 HD12 LEU A 37 22.717 -14.105 -10.551 1.00 0.00 H new ATOM 0 HD13 LEU A 37 22.606 -14.660 -8.864 1.00 0.00 H new ATOM 0 HD21 LEU A 37 20.284 -12.793 -8.152 1.00 0.00 H new ATOM 0 HD22 LEU A 37 21.697 -13.126 -7.122 1.00 0.00 H new ATOM 0 HD23 LEU A 37 21.278 -11.448 -7.542 1.00 0.00 H new ATOM 563 N GLU A 38 26.026 -10.066 -9.196 1.00 0.00 N ATOM 564 CA GLU A 38 27.427 -9.624 -9.239 1.00 0.00 C ATOM 565 C GLU A 38 27.527 -8.091 -9.426 1.00 0.00 C ATOM 566 O GLU A 38 28.373 -7.593 -10.170 1.00 0.00 O ATOM 567 CB GLU A 38 28.195 -10.433 -10.302 1.00 0.00 C ATOM 568 CG GLU A 38 28.201 -11.953 -10.076 1.00 0.00 C ATOM 569 CD GLU A 38 28.829 -12.378 -8.729 1.00 0.00 C ATOM 570 OE1 GLU A 38 29.857 -11.791 -8.309 1.00 0.00 O ATOM 571 OE2 GLU A 38 28.319 -13.337 -8.101 1.00 0.00 O ATOM 0 H GLU A 38 25.567 -10.004 -10.105 1.00 0.00 H new ATOM 0 HA GLU A 38 27.906 -9.826 -8.281 1.00 0.00 H new ATOM 0 HB2 GLU A 38 27.759 -10.227 -11.280 1.00 0.00 H new ATOM 0 HB3 GLU A 38 29.226 -10.080 -10.332 1.00 0.00 H new ATOM 0 HG2 GLU A 38 27.177 -12.322 -10.122 1.00 0.00 H new ATOM 0 HG3 GLU A 38 28.749 -12.430 -10.889 1.00 0.00 H new ATOM 578 N SER A 39 26.650 -7.338 -8.742 1.00 0.00 N ATOM 579 CA SER A 39 26.423 -5.890 -8.908 1.00 0.00 C ATOM 580 C SER A 39 25.844 -5.488 -10.282 1.00 0.00 C ATOM 581 O SER A 39 25.558 -6.332 -11.132 1.00 0.00 O ATOM 582 CB SER A 39 27.686 -5.095 -8.538 1.00 0.00 C ATOM 583 OG SER A 39 27.325 -3.760 -8.232 1.00 0.00 O ATOM 0 H SER A 39 26.050 -7.741 -8.022 1.00 0.00 H new ATOM 0 HA SER A 39 25.635 -5.622 -8.204 1.00 0.00 H new ATOM 0 HB2 SER A 39 28.182 -5.555 -7.683 1.00 0.00 H new ATOM 0 HB3 SER A 39 28.396 -5.112 -9.365 1.00 0.00 H new ATOM 0 HG SER A 39 28.128 -3.250 -7.994 1.00 0.00 H new ATOM 589 N SER A 40 25.594 -4.190 -10.467 1.00 0.00 N ATOM 590 CA SER A 40 24.998 -3.586 -11.672 1.00 0.00 C ATOM 591 C SER A 40 25.431 -2.113 -11.871 1.00 0.00 C ATOM 592 O SER A 40 25.991 -1.493 -10.962 1.00 0.00 O ATOM 593 CB SER A 40 23.475 -3.725 -11.604 1.00 0.00 C ATOM 594 OG SER A 40 22.962 -3.652 -12.921 1.00 0.00 O ATOM 0 H SER A 40 25.809 -3.496 -9.752 1.00 0.00 H new ATOM 0 HA SER A 40 25.368 -4.123 -12.545 1.00 0.00 H new ATOM 0 HB2 SER A 40 23.201 -4.673 -11.142 1.00 0.00 H new ATOM 0 HB3 SER A 40 23.049 -2.934 -10.986 1.00 0.00 H new ATOM 0 HG SER A 40 23.683 -3.820 -13.563 1.00 0.00 H new ATOM 600 N ARG A 41 25.199 -1.556 -13.068 1.00 0.00 N ATOM 601 CA ARG A 41 25.647 -0.219 -13.526 1.00 0.00 C ATOM 602 C ARG A 41 24.610 0.485 -14.396 1.00 0.00 C ATOM 603 O ARG A 41 23.569 -0.072 -14.735 1.00 0.00 O ATOM 604 CB ARG A 41 27.002 -0.359 -14.279 1.00 0.00 C ATOM 605 CG ARG A 41 26.869 -1.113 -15.622 1.00 0.00 C ATOM 606 CD ARG A 41 27.784 -0.642 -16.753 1.00 0.00 C ATOM 607 NE ARG A 41 27.168 -1.010 -18.050 1.00 0.00 N ATOM 608 CZ ARG A 41 27.600 -1.841 -18.985 1.00 0.00 C ATOM 609 NH1 ARG A 41 28.753 -2.440 -18.927 1.00 0.00 N ATOM 610 NH2 ARG A 41 26.844 -2.081 -20.014 1.00 0.00 N ATOM 0 H ARG A 41 24.666 -2.046 -13.786 1.00 0.00 H new ATOM 0 HA ARG A 41 25.779 0.408 -12.644 1.00 0.00 H new ATOM 0 HB2 ARG A 41 27.413 0.633 -14.464 1.00 0.00 H new ATOM 0 HB3 ARG A 41 27.713 -0.885 -13.642 1.00 0.00 H new ATOM 0 HG2 ARG A 41 27.063 -2.170 -15.442 1.00 0.00 H new ATOM 0 HG3 ARG A 41 25.836 -1.031 -15.960 1.00 0.00 H new ATOM 0 HD2 ARG A 41 27.929 0.437 -16.697 1.00 0.00 H new ATOM 0 HD3 ARG A 41 28.768 -1.101 -16.659 1.00 0.00 H new ATOM 0 HE ARG A 41 26.278 -0.555 -18.252 1.00 0.00 H new ATOM 0 HH11 ARG A 41 29.372 -2.278 -18.133 1.00 0.00 H new ATOM 0 HH12 ARG A 41 29.038 -3.072 -19.676 1.00 0.00 H new ATOM 0 HH21 ARG A 41 25.932 -1.631 -20.093 1.00 0.00 H new ATOM 0 HH22 ARG A 41 27.163 -2.719 -20.743 1.00 0.00 H new ATOM 624 N VAL A 42 24.962 1.690 -14.839 1.00 0.00 N ATOM 625 CA VAL A 42 24.221 2.439 -15.860 1.00 0.00 C ATOM 626 C VAL A 42 25.180 2.948 -16.943 1.00 0.00 C ATOM 627 O VAL A 42 26.071 3.755 -16.682 1.00 0.00 O ATOM 628 CB VAL A 42 23.356 3.545 -15.230 1.00 0.00 C ATOM 629 CG1 VAL A 42 22.217 2.930 -14.409 1.00 0.00 C ATOM 630 CG2 VAL A 42 24.090 4.556 -14.340 1.00 0.00 C ATOM 0 H VAL A 42 25.785 2.185 -14.494 1.00 0.00 H new ATOM 0 HA VAL A 42 23.517 1.770 -16.354 1.00 0.00 H new ATOM 0 HB VAL A 42 22.993 4.107 -16.091 1.00 0.00 H new ATOM 0 HG11 VAL A 42 21.614 3.725 -13.970 1.00 0.00 H new ATOM 0 HG12 VAL A 42 21.591 2.316 -15.057 1.00 0.00 H new ATOM 0 HG13 VAL A 42 22.634 2.310 -13.615 1.00 0.00 H new ATOM 0 HG21 VAL A 42 23.378 5.285 -13.954 1.00 0.00 H new ATOM 0 HG22 VAL A 42 24.561 4.033 -13.508 1.00 0.00 H new ATOM 0 HG23 VAL A 42 24.853 5.069 -14.925 1.00 0.00 H new ATOM 640 N HIS A 43 25.035 2.424 -18.165 1.00 0.00 N ATOM 641 CA HIS A 43 25.889 2.753 -19.320 1.00 0.00 C ATOM 642 C HIS A 43 25.407 4.037 -20.013 1.00 0.00 C ATOM 643 O HIS A 43 24.195 4.198 -20.159 1.00 0.00 O ATOM 644 CB HIS A 43 25.994 1.580 -20.330 1.00 0.00 C ATOM 645 CG HIS A 43 24.875 0.569 -20.338 1.00 0.00 C ATOM 646 ND1 HIS A 43 24.520 -0.214 -19.239 1.00 0.00 N ATOM 647 CD2 HIS A 43 24.124 0.181 -21.410 1.00 0.00 C ATOM 648 CE1 HIS A 43 23.524 -1.011 -19.650 1.00 0.00 C ATOM 649 NE2 HIS A 43 23.297 -0.825 -20.956 1.00 0.00 N ATOM 0 H HIS A 43 24.307 1.745 -18.387 1.00 0.00 H new ATOM 0 HA HIS A 43 26.893 2.928 -18.933 1.00 0.00 H new ATOM 0 HB2 HIS A 43 26.072 2.004 -21.331 1.00 0.00 H new ATOM 0 HB3 HIS A 43 26.926 1.049 -20.134 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.169 0.581 -22.412 1.00 0.00 H new ATOM 0 HE1 HIS A 43 22.984 -1.702 -19.020 1.00 0.00 H new ATOM 0 HE2 HIS A 43 22.624 -1.342 -21.522 1.00 0.00 H new ATOM 657 N PRO A 44 26.296 4.907 -20.543 1.00 0.00 N ATOM 658 CA PRO A 44 25.902 6.129 -21.262 1.00 0.00 C ATOM 659 C PRO A 44 24.905 5.884 -22.402 1.00 0.00 C ATOM 660 O PRO A 44 23.944 6.637 -22.560 1.00 0.00 O ATOM 661 CB PRO A 44 27.209 6.748 -21.771 1.00 0.00 C ATOM 662 CG PRO A 44 28.227 6.282 -20.735 1.00 0.00 C ATOM 663 CD PRO A 44 27.748 4.873 -20.395 1.00 0.00 C ATOM 0 HA PRO A 44 25.364 6.799 -20.592 1.00 0.00 H new ATOM 0 HB2 PRO A 44 27.460 6.397 -22.772 1.00 0.00 H new ATOM 0 HB3 PRO A 44 27.150 7.835 -21.820 1.00 0.00 H new ATOM 0 HG2 PRO A 44 29.240 6.278 -21.137 1.00 0.00 H new ATOM 0 HG3 PRO A 44 28.235 6.929 -19.858 1.00 0.00 H new ATOM 0 HD2 PRO A 44 28.193 4.136 -21.063 1.00 0.00 H new ATOM 0 HD3 PRO A 44 28.032 4.596 -19.380 1.00 0.00 H new ATOM 671 N THR A 45 25.052 4.767 -23.123 1.00 0.00 N ATOM 672 CA THR A 45 24.103 4.338 -24.167 1.00 0.00 C ATOM 673 C THR A 45 22.701 4.089 -23.606 1.00 0.00 C ATOM 674 O THR A 45 21.724 4.518 -24.211 1.00 0.00 O ATOM 675 CB THR A 45 24.628 3.084 -24.895 1.00 0.00 C ATOM 676 OG1 THR A 45 25.960 3.313 -25.311 1.00 0.00 O ATOM 677 CG2 THR A 45 23.810 2.731 -26.137 1.00 0.00 C ATOM 0 H THR A 45 25.837 4.128 -23.001 1.00 0.00 H new ATOM 0 HA THR A 45 24.022 5.154 -24.885 1.00 0.00 H new ATOM 0 HB THR A 45 24.554 2.257 -24.189 1.00 0.00 H new ATOM 0 HG1 THR A 45 26.300 2.518 -25.773 1.00 0.00 H new ATOM 0 HG21 THR A 45 24.227 1.840 -26.606 1.00 0.00 H new ATOM 0 HG22 THR A 45 22.776 2.539 -25.849 1.00 0.00 H new ATOM 0 HG23 THR A 45 23.842 3.562 -26.842 1.00 0.00 H new ATOM 685 N ALA A 46 22.573 3.495 -22.416 1.00 0.00 N ATOM 686 CA ALA A 46 21.273 3.320 -21.761 1.00 0.00 C ATOM 687 C ALA A 46 20.705 4.621 -21.165 1.00 0.00 C ATOM 688 O ALA A 46 19.528 4.666 -20.827 1.00 0.00 O ATOM 689 CB ALA A 46 21.373 2.189 -20.732 1.00 0.00 C ATOM 0 H ALA A 46 23.360 3.125 -21.883 1.00 0.00 H new ATOM 0 HA ALA A 46 20.547 3.038 -22.523 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.408 2.056 -20.243 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.656 1.264 -21.234 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.126 2.442 -19.986 1.00 0.00 H new ATOM 695 N ILE A 47 21.503 5.688 -21.043 1.00 0.00 N ATOM 696 CA ILE A 47 20.976 7.023 -20.716 1.00 0.00 C ATOM 697 C ILE A 47 20.375 7.601 -22.008 1.00 0.00 C ATOM 698 O ILE A 47 19.189 7.921 -22.064 1.00 0.00 O ATOM 699 CB ILE A 47 22.048 7.954 -20.101 1.00 0.00 C ATOM 700 CG1 ILE A 47 22.826 7.273 -18.954 1.00 0.00 C ATOM 701 CG2 ILE A 47 21.366 9.238 -19.597 1.00 0.00 C ATOM 702 CD1 ILE A 47 23.972 8.115 -18.370 1.00 0.00 C ATOM 0 H ILE A 47 22.515 5.656 -21.165 1.00 0.00 H new ATOM 0 HA ILE A 47 20.210 6.941 -19.945 1.00 0.00 H new ATOM 0 HB ILE A 47 22.776 8.194 -20.876 1.00 0.00 H new ATOM 0 HG12 ILE A 47 22.128 7.029 -18.154 1.00 0.00 H new ATOM 0 HG13 ILE A 47 23.234 6.331 -19.319 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.114 9.901 -19.162 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.877 9.741 -20.431 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.623 8.983 -18.841 1.00 0.00 H new ATOM 0 HD11 ILE A 47 24.462 7.558 -17.571 1.00 0.00 H new ATOM 0 HD12 ILE A 47 24.696 8.338 -19.154 1.00 0.00 H new ATOM 0 HD13 ILE A 47 23.572 9.047 -17.970 1.00 0.00 H new ATOM 714 N ALA A 48 21.161 7.637 -23.089 1.00 0.00 N ATOM 715 CA ALA A 48 20.799 8.343 -24.321 1.00 0.00 C ATOM 716 C ALA A 48 19.710 7.639 -25.154 1.00 0.00 C ATOM 717 O ALA A 48 18.864 8.307 -25.745 1.00 0.00 O ATOM 718 CB ALA A 48 22.077 8.570 -25.137 1.00 0.00 C ATOM 0 H ALA A 48 22.069 7.175 -23.134 1.00 0.00 H new ATOM 0 HA ALA A 48 20.348 9.295 -24.042 1.00 0.00 H new ATOM 0 HB1 ALA A 48 21.831 9.095 -26.060 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.779 9.168 -24.555 1.00 0.00 H new ATOM 0 HB3 ALA A 48 22.531 7.609 -25.376 1.00 0.00 H new ATOM 724 N MET A 49 19.673 6.300 -25.153 1.00 0.00 N ATOM 725 CA MET A 49 18.618 5.515 -25.818 1.00 0.00 C ATOM 726 C MET A 49 17.255 5.608 -25.120 1.00 0.00 C ATOM 727 O MET A 49 16.250 5.186 -25.690 1.00 0.00 O ATOM 728 CB MET A 49 19.057 4.043 -25.936 1.00 0.00 C ATOM 729 CG MET A 49 20.246 3.822 -26.882 1.00 0.00 C ATOM 730 SD MET A 49 19.875 4.096 -28.636 1.00 0.00 S ATOM 731 CE MET A 49 20.571 5.758 -28.865 1.00 0.00 C ATOM 0 H MET A 49 20.377 5.725 -24.689 1.00 0.00 H new ATOM 0 HA MET A 49 18.484 5.948 -26.809 1.00 0.00 H new ATOM 0 HB2 MET A 49 19.320 3.672 -24.945 1.00 0.00 H new ATOM 0 HB3 MET A 49 18.212 3.449 -26.285 1.00 0.00 H new ATOM 0 HG2 MET A 49 21.057 4.488 -26.587 1.00 0.00 H new ATOM 0 HG3 MET A 49 20.609 2.802 -26.756 1.00 0.00 H new ATOM 0 HE1 MET A 49 20.833 5.901 -29.913 1.00 0.00 H new ATOM 0 HE2 MET A 49 19.834 6.505 -28.570 1.00 0.00 H new ATOM 0 HE3 MET A 49 21.464 5.866 -28.250 1.00 0.00 H new ATOM 741 N MET A 50 17.206 6.151 -23.899 1.00 0.00 N ATOM 742 CA MET A 50 16.025 6.117 -23.025 1.00 0.00 C ATOM 743 C MET A 50 15.545 7.521 -22.626 1.00 0.00 C ATOM 744 O MET A 50 14.343 7.738 -22.490 1.00 0.00 O ATOM 745 CB MET A 50 16.321 5.223 -21.807 1.00 0.00 C ATOM 746 CG MET A 50 17.018 3.906 -22.168 1.00 0.00 C ATOM 747 SD MET A 50 16.125 2.828 -23.302 1.00 0.00 S ATOM 748 CE MET A 50 17.330 1.477 -23.419 1.00 0.00 C ATOM 0 H MET A 50 18.000 6.636 -23.481 1.00 0.00 H new ATOM 0 HA MET A 50 15.193 5.683 -23.580 1.00 0.00 H new ATOM 0 HB2 MET A 50 16.946 5.775 -21.105 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.385 5.001 -21.294 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.988 4.139 -22.607 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.209 3.354 -21.248 1.00 0.00 H new ATOM 0 HE1 MET A 50 17.267 1.018 -24.406 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.335 1.871 -23.265 1.00 0.00 H new ATOM 0 HE3 MET A 50 17.113 0.729 -22.656 1.00 0.00 H new ATOM 758 N GLU A 51 16.433 8.521 -22.556 1.00 0.00 N ATOM 759 CA GLU A 51 16.028 9.924 -22.373 1.00 0.00 C ATOM 760 C GLU A 51 15.185 10.457 -23.554 1.00 0.00 C ATOM 761 O GLU A 51 14.346 11.337 -23.368 1.00 0.00 O ATOM 762 CB GLU A 51 17.241 10.828 -22.073 1.00 0.00 C ATOM 763 CG GLU A 51 18.116 11.142 -23.290 1.00 0.00 C ATOM 764 CD GLU A 51 19.295 12.054 -22.894 1.00 0.00 C ATOM 765 OE1 GLU A 51 19.103 13.293 -22.830 1.00 0.00 O ATOM 766 OE2 GLU A 51 20.418 11.549 -22.658 1.00 0.00 O ATOM 0 H GLU A 51 17.442 8.385 -22.624 1.00 0.00 H new ATOM 0 HA GLU A 51 15.377 9.952 -21.499 1.00 0.00 H new ATOM 0 HB2 GLU A 51 16.883 11.765 -21.647 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.857 10.347 -21.313 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.495 10.215 -23.720 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.516 11.628 -24.059 1.00 0.00 H new ATOM 773 N GLU A 52 15.331 9.868 -24.749 1.00 0.00 N ATOM 774 CA GLU A 52 14.506 10.177 -25.932 1.00 0.00 C ATOM 775 C GLU A 52 13.042 9.687 -25.820 1.00 0.00 C ATOM 776 O GLU A 52 12.191 10.079 -26.621 1.00 0.00 O ATOM 777 CB GLU A 52 15.197 9.697 -27.222 1.00 0.00 C ATOM 778 CG GLU A 52 15.501 8.195 -27.274 1.00 0.00 C ATOM 779 CD GLU A 52 16.012 7.763 -28.665 1.00 0.00 C ATOM 780 OE1 GLU A 52 17.097 8.197 -29.120 1.00 0.00 O ATOM 781 OE2 GLU A 52 15.338 6.925 -29.310 1.00 0.00 O ATOM 0 H GLU A 52 16.036 9.152 -24.927 1.00 0.00 H new ATOM 0 HA GLU A 52 14.425 11.263 -25.980 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.565 9.954 -28.072 1.00 0.00 H new ATOM 0 HB3 GLU A 52 16.131 10.246 -27.342 1.00 0.00 H new ATOM 0 HG2 GLU A 52 16.248 7.949 -26.519 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.601 7.633 -27.027 1.00 0.00 H new ATOM 788 N VAL A 53 12.738 8.865 -24.803 1.00 0.00 N ATOM 789 CA VAL A 53 11.378 8.462 -24.382 1.00 0.00 C ATOM 790 C VAL A 53 11.129 8.862 -22.908 1.00 0.00 C ATOM 791 O VAL A 53 10.304 8.293 -22.196 1.00 0.00 O ATOM 792 CB VAL A 53 11.078 7.005 -24.803 1.00 0.00 C ATOM 793 CG1 VAL A 53 11.932 5.959 -24.084 1.00 0.00 C ATOM 794 CG2 VAL A 53 9.601 6.612 -24.698 1.00 0.00 C ATOM 0 H VAL A 53 13.463 8.442 -24.223 1.00 0.00 H new ATOM 0 HA VAL A 53 10.612 9.021 -24.919 1.00 0.00 H new ATOM 0 HB VAL A 53 11.354 7.002 -25.858 1.00 0.00 H new ATOM 0 HG11 VAL A 53 11.660 4.964 -24.435 1.00 0.00 H new ATOM 0 HG12 VAL A 53 12.986 6.143 -24.294 1.00 0.00 H new ATOM 0 HG13 VAL A 53 11.759 6.024 -23.010 1.00 0.00 H new ATOM 0 HG21 VAL A 53 9.477 5.575 -25.012 1.00 0.00 H new ATOM 0 HG22 VAL A 53 9.268 6.721 -23.666 1.00 0.00 H new ATOM 0 HG23 VAL A 53 9.006 7.259 -25.342 1.00 0.00 H new ATOM 804 N GLY A 54 11.843 9.905 -22.454 1.00 0.00 N ATOM 805 CA GLY A 54 11.637 10.603 -21.177 1.00 0.00 C ATOM 806 C GLY A 54 12.169 9.908 -19.915 1.00 0.00 C ATOM 807 O GLY A 54 11.870 10.362 -18.811 1.00 0.00 O ATOM 0 H GLY A 54 12.614 10.301 -22.992 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.105 11.585 -21.247 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.567 10.768 -21.049 1.00 0.00 H new ATOM 811 N ILE A 55 12.942 8.826 -20.052 1.00 0.00 N ATOM 812 CA ILE A 55 13.411 8.015 -18.912 1.00 0.00 C ATOM 813 C ILE A 55 14.677 8.602 -18.274 1.00 0.00 C ATOM 814 O ILE A 55 15.540 9.158 -18.953 1.00 0.00 O ATOM 815 CB ILE A 55 13.629 6.541 -19.316 1.00 0.00 C ATOM 816 CG1 ILE A 55 12.488 5.970 -20.175 1.00 0.00 C ATOM 817 CG2 ILE A 55 13.833 5.634 -18.091 1.00 0.00 C ATOM 818 CD1 ILE A 55 11.084 6.029 -19.558 1.00 0.00 C ATOM 0 H ILE A 55 13.264 8.483 -20.957 1.00 0.00 H new ATOM 0 HA ILE A 55 12.622 8.042 -18.160 1.00 0.00 H new ATOM 0 HB ILE A 55 14.536 6.549 -19.920 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.469 6.509 -21.122 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.719 4.930 -20.404 1.00 0.00 H new ATOM 0 HG21 ILE A 55 13.983 4.606 -18.420 1.00 0.00 H new ATOM 0 HG22 ILE A 55 14.708 5.967 -17.533 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.953 5.685 -17.450 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.363 5.599 -20.253 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.072 5.463 -18.626 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.819 7.067 -19.356 1.00 0.00 H new ATOM 830 N ASP A 56 14.804 8.415 -16.963 1.00 0.00 N ATOM 831 CA ASP A 56 15.974 8.778 -16.156 1.00 0.00 C ATOM 832 C ASP A 56 16.635 7.538 -15.532 1.00 0.00 C ATOM 833 O ASP A 56 15.959 6.759 -14.864 1.00 0.00 O ATOM 834 CB ASP A 56 15.529 9.764 -15.064 1.00 0.00 C ATOM 835 CG ASP A 56 16.675 10.102 -14.096 1.00 0.00 C ATOM 836 OD1 ASP A 56 16.874 9.346 -13.113 1.00 0.00 O ATOM 837 OD2 ASP A 56 17.385 11.106 -14.331 1.00 0.00 O ATOM 0 H ASP A 56 14.064 7.988 -16.406 1.00 0.00 H new ATOM 0 HA ASP A 56 16.720 9.246 -16.798 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.164 10.680 -15.529 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.696 9.336 -14.506 1.00 0.00 H new ATOM 842 N ILE A 57 17.952 7.367 -15.716 1.00 0.00 N ATOM 843 CA ILE A 57 18.760 6.361 -14.988 1.00 0.00 C ATOM 844 C ILE A 57 20.133 6.883 -14.521 1.00 0.00 C ATOM 845 O ILE A 57 20.832 6.177 -13.803 1.00 0.00 O ATOM 846 CB ILE A 57 18.916 5.026 -15.762 1.00 0.00 C ATOM 847 CG1 ILE A 57 19.685 5.182 -17.091 1.00 0.00 C ATOM 848 CG2 ILE A 57 17.563 4.331 -15.985 1.00 0.00 C ATOM 849 CD1 ILE A 57 20.160 3.843 -17.670 1.00 0.00 C ATOM 0 H ILE A 57 18.496 7.923 -16.376 1.00 0.00 H new ATOM 0 HA ILE A 57 18.177 6.156 -14.090 1.00 0.00 H new ATOM 0 HB ILE A 57 19.523 4.384 -15.124 1.00 0.00 H new ATOM 0 HG12 ILE A 57 19.044 5.679 -17.819 1.00 0.00 H new ATOM 0 HG13 ILE A 57 20.548 5.829 -16.931 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.718 3.400 -16.531 1.00 0.00 H new ATOM 0 HG22 ILE A 57 17.102 4.115 -15.021 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.909 4.985 -16.562 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.694 4.019 -18.604 1.00 0.00 H new ATOM 0 HD12 ILE A 57 20.826 3.354 -16.958 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.299 3.203 -17.860 1.00 0.00 H new ATOM 861 N SER A 58 20.544 8.102 -14.890 1.00 0.00 N ATOM 862 CA SER A 58 21.919 8.605 -14.677 1.00 0.00 C ATOM 863 C SER A 58 22.319 8.746 -13.202 1.00 0.00 C ATOM 864 O SER A 58 23.499 8.610 -12.869 1.00 0.00 O ATOM 865 CB SER A 58 22.090 9.951 -15.390 1.00 0.00 C ATOM 866 OG SER A 58 21.138 10.886 -14.908 1.00 0.00 O ATOM 0 H SER A 58 19.932 8.777 -15.349 1.00 0.00 H new ATOM 0 HA SER A 58 22.585 7.852 -15.098 1.00 0.00 H new ATOM 0 HB2 SER A 58 23.098 10.331 -15.227 1.00 0.00 H new ATOM 0 HB3 SER A 58 21.969 9.819 -16.465 1.00 0.00 H new ATOM 0 HG SER A 58 21.258 11.742 -15.369 1.00 0.00 H new ATOM 872 N GLY A 59 21.349 8.969 -12.307 1.00 0.00 N ATOM 873 CA GLY A 59 21.556 9.048 -10.856 1.00 0.00 C ATOM 874 C GLY A 59 21.657 7.692 -10.133 1.00 0.00 C ATOM 875 O GLY A 59 21.941 7.667 -8.934 1.00 0.00 O ATOM 0 H GLY A 59 20.375 9.103 -12.578 1.00 0.00 H new ATOM 0 HA2 GLY A 59 22.469 9.612 -10.666 1.00 0.00 H new ATOM 0 HA3 GLY A 59 20.734 9.615 -10.418 1.00 0.00 H new ATOM 879 N GLN A 60 21.419 6.565 -10.820 1.00 0.00 N ATOM 880 CA GLN A 60 21.438 5.224 -10.210 1.00 0.00 C ATOM 881 C GLN A 60 22.855 4.624 -10.111 1.00 0.00 C ATOM 882 O GLN A 60 23.741 4.895 -10.923 1.00 0.00 O ATOM 883 CB GLN A 60 20.498 4.269 -10.969 1.00 0.00 C ATOM 884 CG GLN A 60 19.012 4.553 -10.704 1.00 0.00 C ATOM 885 CD GLN A 60 18.106 3.938 -11.766 1.00 0.00 C ATOM 886 OE1 GLN A 60 17.311 4.626 -12.389 1.00 0.00 O ATOM 887 NE2 GLN A 60 18.200 2.653 -12.034 1.00 0.00 N ATOM 0 H GLN A 60 21.207 6.556 -11.818 1.00 0.00 H new ATOM 0 HA GLN A 60 21.079 5.344 -9.188 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.693 4.350 -12.038 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.723 3.242 -10.681 1.00 0.00 H new ATOM 0 HG2 GLN A 60 18.738 4.160 -9.725 1.00 0.00 H new ATOM 0 HG3 GLN A 60 18.851 5.630 -10.672 1.00 0.00 H new ATOM 0 HE21 GLN A 60 18.861 2.072 -11.519 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.612 2.238 -12.757 1.00 0.00 H new ATOM 896 N THR A 61 23.037 3.754 -9.114 1.00 0.00 N ATOM 897 CA THR A 61 24.210 2.882 -8.914 1.00 0.00 C ATOM 898 C THR A 61 23.740 1.550 -8.306 1.00 0.00 C ATOM 899 O THR A 61 22.542 1.386 -8.058 1.00 0.00 O ATOM 900 CB THR A 61 25.269 3.597 -8.056 1.00 0.00 C ATOM 901 OG1 THR A 61 26.466 2.845 -8.078 1.00 0.00 O ATOM 902 CG2 THR A 61 24.859 3.814 -6.599 1.00 0.00 C ATOM 0 H THR A 61 22.337 3.628 -8.383 1.00 0.00 H new ATOM 0 HA THR A 61 24.691 2.661 -9.867 1.00 0.00 H new ATOM 0 HB THR A 61 25.396 4.586 -8.496 1.00 0.00 H new ATOM 0 HG1 THR A 61 27.146 3.296 -7.535 1.00 0.00 H new ATOM 0 HG21 THR A 61 25.662 4.324 -6.067 1.00 0.00 H new ATOM 0 HG22 THR A 61 23.956 4.423 -6.562 1.00 0.00 H new ATOM 0 HG23 THR A 61 24.666 2.850 -6.128 1.00 0.00 H new ATOM 910 N SER A 62 24.628 0.582 -8.081 1.00 0.00 N ATOM 911 CA SER A 62 24.271 -0.709 -7.476 1.00 0.00 C ATOM 912 C SER A 62 25.427 -1.378 -6.718 1.00 0.00 C ATOM 913 O SER A 62 26.563 -0.898 -6.720 1.00 0.00 O ATOM 914 CB SER A 62 23.743 -1.660 -8.552 1.00 0.00 C ATOM 915 OG SER A 62 22.804 -2.554 -7.982 1.00 0.00 O ATOM 0 H SER A 62 25.618 0.667 -8.312 1.00 0.00 H new ATOM 0 HA SER A 62 23.498 -0.497 -6.738 1.00 0.00 H new ATOM 0 HB2 SER A 62 23.276 -1.091 -9.356 1.00 0.00 H new ATOM 0 HB3 SER A 62 24.568 -2.218 -8.994 1.00 0.00 H new ATOM 0 HG SER A 62 21.936 -2.106 -7.897 1.00 0.00 H new ATOM 921 N ASP A 63 25.111 -2.498 -6.067 1.00 0.00 N ATOM 922 CA ASP A 63 26.010 -3.336 -5.268 1.00 0.00 C ATOM 923 C ASP A 63 25.577 -4.822 -5.359 1.00 0.00 C ATOM 924 O ASP A 63 24.439 -5.102 -5.755 1.00 0.00 O ATOM 925 CB ASP A 63 25.990 -2.853 -3.808 1.00 0.00 C ATOM 926 CG ASP A 63 26.870 -1.613 -3.587 1.00 0.00 C ATOM 927 OD1 ASP A 63 28.118 -1.750 -3.599 1.00 0.00 O ATOM 928 OD2 ASP A 63 26.324 -0.507 -3.347 1.00 0.00 O ATOM 0 H ASP A 63 24.161 -2.869 -6.084 1.00 0.00 H new ATOM 0 HA ASP A 63 27.026 -3.254 -5.656 1.00 0.00 H new ATOM 0 HB2 ASP A 63 24.965 -2.623 -3.519 1.00 0.00 H new ATOM 0 HB3 ASP A 63 26.332 -3.658 -3.158 1.00 0.00 H new ATOM 933 N PRO A 64 26.440 -5.796 -4.993 1.00 0.00 N ATOM 934 CA PRO A 64 26.088 -7.220 -4.965 1.00 0.00 C ATOM 935 C PRO A 64 24.884 -7.528 -4.068 1.00 0.00 C ATOM 936 O PRO A 64 24.758 -6.961 -2.983 1.00 0.00 O ATOM 937 CB PRO A 64 27.339 -7.948 -4.461 1.00 0.00 C ATOM 938 CG PRO A 64 28.478 -7.000 -4.827 1.00 0.00 C ATOM 939 CD PRO A 64 27.844 -5.622 -4.647 1.00 0.00 C ATOM 0 HA PRO A 64 25.787 -7.548 -5.960 1.00 0.00 H new ATOM 0 HB2 PRO A 64 27.294 -8.125 -3.386 1.00 0.00 H new ATOM 0 HB3 PRO A 64 27.457 -8.920 -4.939 1.00 0.00 H new ATOM 0 HG2 PRO A 64 29.342 -7.136 -4.176 1.00 0.00 H new ATOM 0 HG3 PRO A 64 28.822 -7.157 -5.850 1.00 0.00 H new ATOM 0 HD2 PRO A 64 27.955 -5.269 -3.622 1.00 0.00 H new ATOM 0 HD3 PRO A 64 28.319 -4.883 -5.292 1.00 0.00 H new ATOM 947 N ILE A 65 24.022 -8.464 -4.479 1.00 0.00 N ATOM 948 CA ILE A 65 22.723 -8.728 -3.821 1.00 0.00 C ATOM 949 C ILE A 65 22.800 -8.982 -2.305 1.00 0.00 C ATOM 950 O ILE A 65 21.930 -8.529 -1.561 1.00 0.00 O ATOM 951 CB ILE A 65 21.976 -9.866 -4.557 1.00 0.00 C ATOM 952 CG1 ILE A 65 20.533 -9.990 -4.021 1.00 0.00 C ATOM 953 CG2 ILE A 65 22.710 -11.223 -4.470 1.00 0.00 C ATOM 954 CD1 ILE A 65 19.605 -10.766 -4.957 1.00 0.00 C ATOM 0 H ILE A 65 24.200 -9.067 -5.282 1.00 0.00 H new ATOM 0 HA ILE A 65 22.153 -7.803 -3.904 1.00 0.00 H new ATOM 0 HB ILE A 65 21.948 -9.598 -5.613 1.00 0.00 H new ATOM 0 HG12 ILE A 65 20.555 -10.485 -3.050 1.00 0.00 H new ATOM 0 HG13 ILE A 65 20.125 -8.992 -3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 65 22.138 -11.981 -5.005 1.00 0.00 H new ATOM 0 HG22 ILE A 65 23.699 -11.131 -4.919 1.00 0.00 H new ATOM 0 HG23 ILE A 65 22.812 -11.515 -3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 65 18.607 -10.816 -4.521 1.00 0.00 H new ATOM 0 HD12 ILE A 65 19.555 -10.260 -5.921 1.00 0.00 H new ATOM 0 HD13 ILE A 65 19.991 -11.776 -5.097 1.00 0.00 H new ATOM 966 N GLU A 66 23.860 -9.633 -1.815 1.00 0.00 N ATOM 967 CA GLU A 66 24.016 -9.963 -0.389 1.00 0.00 C ATOM 968 C GLU A 66 24.237 -8.729 0.513 1.00 0.00 C ATOM 969 O GLU A 66 24.124 -8.838 1.736 1.00 0.00 O ATOM 970 CB GLU A 66 25.152 -10.984 -0.208 1.00 0.00 C ATOM 971 CG GLU A 66 24.858 -12.330 -0.885 1.00 0.00 C ATOM 972 CD GLU A 66 25.968 -13.350 -0.564 1.00 0.00 C ATOM 973 OE1 GLU A 66 26.969 -13.424 -1.318 1.00 0.00 O ATOM 974 OE2 GLU A 66 25.851 -14.086 0.446 1.00 0.00 O ATOM 0 H GLU A 66 24.638 -9.948 -2.395 1.00 0.00 H new ATOM 0 HA GLU A 66 23.072 -10.400 -0.064 1.00 0.00 H new ATOM 0 HB2 GLU A 66 26.074 -10.571 -0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 66 25.321 -11.147 0.856 1.00 0.00 H new ATOM 0 HG2 GLU A 66 23.895 -12.712 -0.545 1.00 0.00 H new ATOM 0 HG3 GLU A 66 24.783 -12.192 -1.964 1.00 0.00 H new ATOM 981 N ASN A 67 24.507 -7.544 -0.059 1.00 0.00 N ATOM 982 CA ASN A 67 24.572 -6.286 0.698 1.00 0.00 C ATOM 983 C ASN A 67 23.173 -5.739 1.093 1.00 0.00 C ATOM 984 O ASN A 67 23.071 -4.943 2.029 1.00 0.00 O ATOM 985 CB ASN A 67 25.427 -5.250 -0.070 1.00 0.00 C ATOM 986 CG ASN A 67 24.587 -4.190 -0.774 1.00 0.00 C ATOM 987 OD1 ASN A 67 24.444 -3.063 -0.320 1.00 0.00 O ATOM 988 ND2 ASN A 67 23.968 -4.532 -1.874 1.00 0.00 N ATOM 0 H ASN A 67 24.686 -7.433 -1.057 1.00 0.00 H new ATOM 0 HA ASN A 67 25.064 -6.494 1.648 1.00 0.00 H new ATOM 0 HB2 ASN A 67 26.109 -4.762 0.626 1.00 0.00 H new ATOM 0 HB3 ASN A 67 26.041 -5.768 -0.807 1.00 0.00 H new ATOM 0 HD21 ASN A 67 23.368 -3.860 -2.351 1.00 0.00 H new ATOM 0 HD22 ASN A 67 24.086 -5.471 -2.255 1.00 0.00 H new ATOM 995 N PHE A 68 22.111 -6.138 0.378 1.00 0.00 N ATOM 996 CA PHE A 68 20.741 -5.633 0.550 1.00 0.00 C ATOM 997 C PHE A 68 19.891 -6.513 1.499 1.00 0.00 C ATOM 998 O PHE A 68 20.275 -7.629 1.855 1.00 0.00 O ATOM 999 CB PHE A 68 20.075 -5.480 -0.834 1.00 0.00 C ATOM 1000 CG PHE A 68 20.751 -4.531 -1.812 1.00 0.00 C ATOM 1001 CD1 PHE A 68 20.992 -3.183 -1.471 1.00 0.00 C ATOM 1002 CD2 PHE A 68 21.109 -4.991 -3.093 1.00 0.00 C ATOM 1003 CE1 PHE A 68 21.597 -2.313 -2.400 1.00 0.00 C ATOM 1004 CE2 PHE A 68 21.718 -4.125 -4.019 1.00 0.00 C ATOM 1005 CZ PHE A 68 21.961 -2.785 -3.674 1.00 0.00 C ATOM 0 H PHE A 68 22.184 -6.841 -0.357 1.00 0.00 H new ATOM 0 HA PHE A 68 20.799 -4.657 1.031 1.00 0.00 H new ATOM 0 HB2 PHE A 68 20.021 -6.465 -1.297 1.00 0.00 H new ATOM 0 HB3 PHE A 68 19.050 -5.141 -0.684 1.00 0.00 H new ATOM 0 HD1 PHE A 68 20.712 -2.817 -0.494 1.00 0.00 H new ATOM 0 HD2 PHE A 68 20.915 -6.017 -3.367 1.00 0.00 H new ATOM 0 HE1 PHE A 68 21.781 -1.283 -2.133 1.00 0.00 H new ATOM 0 HE2 PHE A 68 21.999 -4.490 -4.996 1.00 0.00 H new ATOM 0 HZ PHE A 68 22.426 -2.119 -4.385 1.00 0.00 H new ATOM 1015 N ASN A 69 18.712 -6.002 1.883 1.00 0.00 N ATOM 1016 CA ASN A 69 17.748 -6.661 2.780 1.00 0.00 C ATOM 1017 C ASN A 69 16.378 -6.856 2.101 1.00 0.00 C ATOM 1018 O ASN A 69 15.621 -5.901 1.931 1.00 0.00 O ATOM 1019 CB ASN A 69 17.659 -5.869 4.106 1.00 0.00 C ATOM 1020 CG ASN A 69 17.673 -4.344 3.976 1.00 0.00 C ATOM 1021 OD1 ASN A 69 18.516 -3.662 4.539 1.00 0.00 O ATOM 1022 ND2 ASN A 69 16.764 -3.754 3.230 1.00 0.00 N ATOM 0 H ASN A 69 18.391 -5.087 1.567 1.00 0.00 H new ATOM 0 HA ASN A 69 18.100 -7.666 3.012 1.00 0.00 H new ATOM 0 HB2 ASN A 69 16.744 -6.162 4.621 1.00 0.00 H new ATOM 0 HB3 ASN A 69 18.492 -6.168 4.742 1.00 0.00 H new ATOM 0 HD21 ASN A 69 16.769 -2.739 3.127 1.00 0.00 H new ATOM 0 HD22 ASN A 69 16.054 -4.311 2.754 1.00 0.00 H new ATOM 1029 N ALA A 70 16.020 -8.084 1.735 1.00 0.00 N ATOM 1030 CA ALA A 70 14.855 -8.379 0.898 1.00 0.00 C ATOM 1031 C ALA A 70 13.493 -8.088 1.554 1.00 0.00 C ATOM 1032 O ALA A 70 12.495 -7.908 0.856 1.00 0.00 O ATOM 1033 CB ALA A 70 14.955 -9.848 0.512 1.00 0.00 C ATOM 0 H ALA A 70 16.538 -8.917 2.015 1.00 0.00 H new ATOM 0 HA ALA A 70 14.882 -7.713 0.036 1.00 0.00 H new ATOM 0 HB1 ALA A 70 14.105 -10.118 -0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.881 -10.017 -0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 70 14.951 -10.462 1.413 1.00 0.00 H new ATOM 1039 N ASP A 71 13.450 -8.006 2.885 1.00 0.00 N ATOM 1040 CA ASP A 71 12.230 -7.760 3.673 1.00 0.00 C ATOM 1041 C ASP A 71 11.600 -6.384 3.388 1.00 0.00 C ATOM 1042 O ASP A 71 10.399 -6.177 3.562 1.00 0.00 O ATOM 1043 CB ASP A 71 12.612 -7.831 5.156 1.00 0.00 C ATOM 1044 CG ASP A 71 11.381 -7.778 6.078 1.00 0.00 C ATOM 1045 OD1 ASP A 71 10.547 -8.715 6.031 1.00 0.00 O ATOM 1046 OD2 ASP A 71 11.260 -6.822 6.881 1.00 0.00 O ATOM 0 H ASP A 71 14.283 -8.111 3.465 1.00 0.00 H new ATOM 0 HA ASP A 71 11.491 -8.513 3.399 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.164 -8.752 5.343 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.280 -7.004 5.397 1.00 0.00 H new ATOM 1051 N ASP A 72 12.429 -5.443 2.933 1.00 0.00 N ATOM 1052 CA ASP A 72 12.078 -4.056 2.640 1.00 0.00 C ATOM 1053 C ASP A 72 11.634 -3.867 1.177 1.00 0.00 C ATOM 1054 O ASP A 72 11.213 -2.776 0.794 1.00 0.00 O ATOM 1055 CB ASP A 72 13.293 -3.198 3.008 1.00 0.00 C ATOM 1056 CG ASP A 72 12.982 -1.691 3.019 1.00 0.00 C ATOM 1057 OD1 ASP A 72 12.097 -1.253 3.793 1.00 0.00 O ATOM 1058 OD2 ASP A 72 13.659 -0.927 2.290 1.00 0.00 O ATOM 0 H ASP A 72 13.413 -5.640 2.750 1.00 0.00 H new ATOM 0 HA ASP A 72 11.215 -3.747 3.229 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.657 -3.496 3.991 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.097 -3.393 2.298 1.00 0.00 H new ATOM 1063 N TYR A 73 11.707 -4.936 0.369 1.00 0.00 N ATOM 1064 CA TYR A 73 11.271 -5.003 -1.018 1.00 0.00 C ATOM 1065 C TYR A 73 10.108 -5.983 -1.102 1.00 0.00 C ATOM 1066 O TYR A 73 10.283 -7.163 -1.397 1.00 0.00 O ATOM 1067 CB TYR A 73 12.445 -5.385 -1.924 1.00 0.00 C ATOM 1068 CG TYR A 73 13.608 -4.431 -1.770 1.00 0.00 C ATOM 1069 CD1 TYR A 73 13.633 -3.228 -2.491 1.00 0.00 C ATOM 1070 CD2 TYR A 73 14.606 -4.703 -0.820 1.00 0.00 C ATOM 1071 CE1 TYR A 73 14.655 -2.294 -2.251 1.00 0.00 C ATOM 1072 CE2 TYR A 73 15.629 -3.770 -0.574 1.00 0.00 C ATOM 1073 CZ TYR A 73 15.651 -2.549 -1.284 1.00 0.00 C ATOM 1074 OH TYR A 73 16.623 -1.624 -1.057 1.00 0.00 O ATOM 0 H TYR A 73 12.095 -5.822 0.693 1.00 0.00 H new ATOM 0 HA TYR A 73 10.924 -4.031 -1.369 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.772 -6.398 -1.687 1.00 0.00 H new ATOM 0 HB3 TYR A 73 12.115 -5.391 -2.963 1.00 0.00 H new ATOM 0 HD1 TYR A 73 12.870 -3.021 -3.227 1.00 0.00 H new ATOM 0 HD2 TYR A 73 14.588 -5.635 -0.275 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.679 -1.372 -2.812 1.00 0.00 H new ATOM 0 HE2 TYR A 73 16.395 -3.986 0.155 1.00 0.00 H new ATOM 0 HH TYR A 73 17.230 -1.952 -0.361 1.00 0.00 H new ATOM 1084 N ASP A 74 8.911 -5.485 -0.791 1.00 0.00 N ATOM 1085 CA ASP A 74 7.643 -6.227 -0.794 1.00 0.00 C ATOM 1086 C ASP A 74 7.386 -6.992 -2.106 1.00 0.00 C ATOM 1087 O ASP A 74 6.671 -7.996 -2.119 1.00 0.00 O ATOM 1088 CB ASP A 74 6.483 -5.240 -0.593 1.00 0.00 C ATOM 1089 CG ASP A 74 6.754 -4.196 0.498 1.00 0.00 C ATOM 1090 OD1 ASP A 74 7.422 -3.188 0.168 1.00 0.00 O ATOM 1091 OD2 ASP A 74 6.301 -4.382 1.652 1.00 0.00 O ATOM 0 H ASP A 74 8.790 -4.510 -0.517 1.00 0.00 H new ATOM 0 HA ASP A 74 7.709 -6.957 0.013 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.284 -4.728 -1.534 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.582 -5.797 -0.337 1.00 0.00 H new ATOM 1096 N VAL A 75 7.956 -6.504 -3.213 1.00 0.00 N ATOM 1097 CA VAL A 75 7.766 -7.018 -4.569 1.00 0.00 C ATOM 1098 C VAL A 75 9.130 -7.129 -5.265 1.00 0.00 C ATOM 1099 O VAL A 75 9.940 -6.203 -5.203 1.00 0.00 O ATOM 1100 CB VAL A 75 6.767 -6.099 -5.305 1.00 0.00 C ATOM 1101 CG1 VAL A 75 6.627 -6.480 -6.785 1.00 0.00 C ATOM 1102 CG2 VAL A 75 5.380 -6.149 -4.649 1.00 0.00 C ATOM 0 H VAL A 75 8.590 -5.705 -3.184 1.00 0.00 H new ATOM 0 HA VAL A 75 7.340 -8.021 -4.566 1.00 0.00 H new ATOM 0 HB VAL A 75 7.168 -5.088 -5.235 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.915 -5.810 -7.267 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.596 -6.394 -7.276 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.270 -7.507 -6.864 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.698 -5.492 -5.189 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.000 -7.170 -4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.456 -5.820 -3.612 1.00 0.00 H new ATOM 1112 N VAL A 76 9.423 -8.254 -5.927 1.00 0.00 N ATOM 1113 CA VAL A 76 10.747 -8.520 -6.538 1.00 0.00 C ATOM 1114 C VAL A 76 10.592 -9.106 -7.946 1.00 0.00 C ATOM 1115 O VAL A 76 9.989 -10.162 -8.119 1.00 0.00 O ATOM 1116 CB VAL A 76 11.599 -9.444 -5.636 1.00 0.00 C ATOM 1117 CG1 VAL A 76 12.934 -9.832 -6.291 1.00 0.00 C ATOM 1118 CG2 VAL A 76 11.944 -8.796 -4.282 1.00 0.00 C ATOM 0 H VAL A 76 8.753 -9.012 -6.059 1.00 0.00 H new ATOM 0 HA VAL A 76 11.274 -7.570 -6.629 1.00 0.00 H new ATOM 0 HB VAL A 76 10.975 -10.325 -5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.495 -10.481 -5.618 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.741 -10.359 -7.226 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.514 -8.932 -6.495 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.543 -9.488 -3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.510 -7.880 -4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.024 -8.561 -3.746 1.00 0.00 H new ATOM 1128 N ILE A 77 11.149 -8.433 -8.959 1.00 0.00 N ATOM 1129 CA ILE A 77 11.159 -8.879 -10.363 1.00 0.00 C ATOM 1130 C ILE A 77 12.601 -9.244 -10.749 1.00 0.00 C ATOM 1131 O ILE A 77 13.505 -8.416 -10.664 1.00 0.00 O ATOM 1132 CB ILE A 77 10.575 -7.795 -11.312 1.00 0.00 C ATOM 1133 CG1 ILE A 77 9.034 -7.565 -11.308 1.00 0.00 C ATOM 1134 CG2 ILE A 77 10.957 -8.088 -12.777 1.00 0.00 C ATOM 1135 CD1 ILE A 77 8.284 -7.849 -10.009 1.00 0.00 C ATOM 0 H ILE A 77 11.619 -7.538 -8.825 1.00 0.00 H new ATOM 0 HA ILE A 77 10.520 -9.756 -10.468 1.00 0.00 H new ATOM 0 HB ILE A 77 11.022 -6.890 -10.900 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.848 -6.527 -11.584 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.599 -8.186 -12.091 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.538 -7.317 -13.423 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.042 -8.094 -12.876 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.561 -9.061 -13.069 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.222 -7.647 -10.150 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.420 -8.894 -9.731 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.673 -7.209 -9.217 1.00 0.00 H new ATOM 1147 N SER A 78 12.811 -10.468 -11.222 1.00 0.00 N ATOM 1148 CA SER A 78 14.050 -10.943 -11.842 1.00 0.00 C ATOM 1149 C SER A 78 14.018 -10.735 -13.361 1.00 0.00 C ATOM 1150 O SER A 78 12.952 -10.710 -13.969 1.00 0.00 O ATOM 1151 CB SER A 78 14.271 -12.407 -11.444 1.00 0.00 C ATOM 1152 OG SER A 78 15.345 -12.981 -12.158 1.00 0.00 O ATOM 0 H SER A 78 12.092 -11.191 -11.183 1.00 0.00 H new ATOM 0 HA SER A 78 14.898 -10.362 -11.481 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.470 -12.468 -10.374 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.361 -12.978 -11.632 1.00 0.00 H new ATOM 0 HG SER A 78 14.995 -13.592 -12.839 1.00 0.00 H new ATOM 1158 N LEU A 79 15.183 -10.570 -13.992 1.00 0.00 N ATOM 1159 CA LEU A 79 15.345 -10.464 -15.448 1.00 0.00 C ATOM 1160 C LEU A 79 16.437 -11.436 -15.929 1.00 0.00 C ATOM 1161 O LEU A 79 17.407 -11.021 -16.567 1.00 0.00 O ATOM 1162 CB LEU A 79 15.602 -8.997 -15.868 1.00 0.00 C ATOM 1163 CG LEU A 79 14.524 -7.980 -15.436 1.00 0.00 C ATOM 1164 CD1 LEU A 79 14.877 -7.303 -14.111 1.00 0.00 C ATOM 1165 CD2 LEU A 79 14.396 -6.861 -16.467 1.00 0.00 C ATOM 0 H LEU A 79 16.068 -10.504 -13.490 1.00 0.00 H new ATOM 0 HA LEU A 79 14.419 -10.760 -15.941 1.00 0.00 H new ATOM 0 HB2 LEU A 79 16.560 -8.682 -15.454 1.00 0.00 H new ATOM 0 HB3 LEU A 79 15.696 -8.960 -16.953 1.00 0.00 H new ATOM 0 HG LEU A 79 13.598 -8.546 -15.339 1.00 0.00 H new ATOM 0 HD11 LEU A 79 14.092 -6.595 -13.844 1.00 0.00 H new ATOM 0 HD12 LEU A 79 14.967 -8.057 -13.329 1.00 0.00 H new ATOM 0 HD13 LEU A 79 15.824 -6.773 -14.214 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.631 -6.155 -16.144 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.351 -6.344 -16.563 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.115 -7.285 -17.431 1.00 0.00 H new ATOM 1177 N CYS A 80 16.319 -12.715 -15.554 1.00 0.00 N ATOM 1178 CA CYS A 80 17.377 -13.719 -15.743 1.00 0.00 C ATOM 1179 C CYS A 80 17.000 -14.872 -16.688 1.00 0.00 C ATOM 1180 O CYS A 80 17.895 -15.529 -17.223 1.00 0.00 O ATOM 1181 CB CYS A 80 17.781 -14.258 -14.366 1.00 0.00 C ATOM 1182 SG CYS A 80 18.364 -12.898 -13.313 1.00 0.00 S ATOM 0 H CYS A 80 15.481 -13.087 -15.107 1.00 0.00 H new ATOM 0 HA CYS A 80 18.212 -13.220 -16.234 1.00 0.00 H new ATOM 0 HB2 CYS A 80 16.931 -14.754 -13.897 1.00 0.00 H new ATOM 0 HB3 CYS A 80 18.566 -15.006 -14.475 1.00 0.00 H new ATOM 0 HG CYS A 80 17.396 -12.500 -12.543 1.00 0.00 H new ATOM 1188 N GLY A 81 15.708 -15.129 -16.917 1.00 0.00 N ATOM 1189 CA GLY A 81 15.243 -16.234 -17.765 1.00 0.00 C ATOM 1190 C GLY A 81 15.343 -17.605 -17.078 1.00 0.00 C ATOM 1191 O GLY A 81 15.911 -18.547 -17.640 1.00 0.00 O ATOM 0 H GLY A 81 14.951 -14.574 -16.518 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.207 -16.053 -18.052 1.00 0.00 H new ATOM 0 HA3 GLY A 81 15.830 -16.251 -18.683 1.00 0.00 H new ATOM 1195 N CYS A 82 14.777 -17.705 -15.869 1.00 0.00 N ATOM 1196 CA CYS A 82 14.845 -18.837 -14.939 1.00 0.00 C ATOM 1197 C CYS A 82 16.279 -19.172 -14.455 1.00 0.00 C ATOM 1198 O CYS A 82 17.271 -18.584 -14.896 1.00 0.00 O ATOM 1199 CB CYS A 82 14.067 -20.025 -15.545 1.00 0.00 C ATOM 1200 SG CYS A 82 13.499 -21.170 -14.246 1.00 0.00 S ATOM 0 H CYS A 82 14.219 -16.941 -15.488 1.00 0.00 H new ATOM 0 HA CYS A 82 14.355 -18.558 -14.006 1.00 0.00 H new ATOM 0 HB2 CYS A 82 13.210 -19.654 -16.107 1.00 0.00 H new ATOM 0 HB3 CYS A 82 14.704 -20.558 -16.251 1.00 0.00 H new ATOM 0 HG CYS A 82 12.847 -22.155 -14.790 1.00 0.00 H new ATOM 1206 N GLY A 83 16.389 -20.086 -13.483 1.00 0.00 N ATOM 1207 CA GLY A 83 17.668 -20.574 -12.937 1.00 0.00 C ATOM 1208 C GLY A 83 18.472 -19.540 -12.131 1.00 0.00 C ATOM 1209 O GLY A 83 19.688 -19.684 -11.982 1.00 0.00 O ATOM 0 H GLY A 83 15.576 -20.518 -13.043 1.00 0.00 H new ATOM 0 HA2 GLY A 83 17.467 -21.434 -12.297 1.00 0.00 H new ATOM 0 HA3 GLY A 83 18.286 -20.928 -13.762 1.00 0.00 H new ATOM 1213 N VAL A 84 17.822 -18.478 -11.636 1.00 0.00 N ATOM 1214 CA VAL A 84 18.473 -17.351 -10.949 1.00 0.00 C ATOM 1215 C VAL A 84 18.942 -17.747 -9.542 1.00 0.00 C ATOM 1216 O VAL A 84 18.191 -18.312 -8.746 1.00 0.00 O ATOM 1217 CB VAL A 84 17.579 -16.090 -10.982 1.00 0.00 C ATOM 1218 CG1 VAL A 84 16.269 -16.210 -10.195 1.00 0.00 C ATOM 1219 CG2 VAL A 84 18.354 -14.851 -10.519 1.00 0.00 C ATOM 0 H VAL A 84 16.809 -18.375 -11.702 1.00 0.00 H new ATOM 0 HA VAL A 84 19.380 -17.087 -11.493 1.00 0.00 H new ATOM 0 HB VAL A 84 17.292 -15.983 -12.028 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.709 -15.278 -10.276 1.00 0.00 H new ATOM 0 HG12 VAL A 84 15.674 -17.027 -10.602 1.00 0.00 H new ATOM 0 HG13 VAL A 84 16.491 -16.410 -9.147 1.00 0.00 H new ATOM 0 HG21 VAL A 84 17.700 -13.979 -10.553 1.00 0.00 H new ATOM 0 HG22 VAL A 84 18.705 -15.002 -9.498 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.208 -14.689 -11.177 1.00 0.00 H new ATOM 1229 N ASN A 85 20.203 -17.438 -9.220 1.00 0.00 N ATOM 1230 CA ASN A 85 20.860 -17.808 -7.957 1.00 0.00 C ATOM 1231 C ASN A 85 20.545 -16.790 -6.836 1.00 0.00 C ATOM 1232 O ASN A 85 21.429 -16.089 -6.339 1.00 0.00 O ATOM 1233 CB ASN A 85 22.362 -18.038 -8.234 1.00 0.00 C ATOM 1234 CG ASN A 85 23.069 -18.792 -7.116 1.00 0.00 C ATOM 1235 OD1 ASN A 85 23.335 -19.982 -7.207 1.00 0.00 O ATOM 1236 ND2 ASN A 85 23.382 -18.142 -6.020 1.00 0.00 N ATOM 0 H ASN A 85 20.812 -16.910 -9.845 1.00 0.00 H new ATOM 0 HA ASN A 85 20.463 -18.747 -7.571 1.00 0.00 H new ATOM 0 HB2 ASN A 85 22.472 -18.594 -9.165 1.00 0.00 H new ATOM 0 HB3 ASN A 85 22.850 -17.074 -8.379 1.00 0.00 H new ATOM 0 HD21 ASN A 85 23.844 -18.630 -5.252 1.00 0.00 H new ATOM 0 HD22 ASN A 85 23.164 -17.149 -5.936 1.00 0.00 H new ATOM 1243 N LEU A 86 19.264 -16.667 -6.472 1.00 0.00 N ATOM 1244 CA LEU A 86 18.797 -15.769 -5.409 1.00 0.00 C ATOM 1245 C LEU A 86 18.926 -16.385 -3.999 1.00 0.00 C ATOM 1246 O LEU A 86 18.580 -17.559 -3.826 1.00 0.00 O ATOM 1247 CB LEU A 86 17.317 -15.399 -5.646 1.00 0.00 C ATOM 1248 CG LEU A 86 17.045 -14.429 -6.802 1.00 0.00 C ATOM 1249 CD1 LEU A 86 15.542 -14.224 -6.975 1.00 0.00 C ATOM 1250 CD2 LEU A 86 17.667 -13.053 -6.568 1.00 0.00 C ATOM 0 H LEU A 86 18.512 -17.196 -6.913 1.00 0.00 H new ATOM 0 HA LEU A 86 19.435 -14.886 -5.450 1.00 0.00 H new ATOM 0 HB2 LEU A 86 16.758 -16.317 -5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 86 16.921 -14.962 -4.730 1.00 0.00 H new ATOM 0 HG LEU A 86 17.492 -14.878 -7.689 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.361 -13.533 -7.799 1.00 0.00 H new ATOM 0 HD12 LEU A 86 15.067 -15.181 -7.193 1.00 0.00 H new ATOM 0 HD13 LEU A 86 15.123 -13.811 -6.057 1.00 0.00 H new ATOM 0 HD21 LEU A 86 17.445 -12.404 -7.416 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.253 -12.617 -5.659 1.00 0.00 H new ATOM 0 HD23 LEU A 86 18.747 -13.155 -6.462 1.00 0.00 H new ATOM 1262 N PRO A 87 19.354 -15.609 -2.981 1.00 0.00 N ATOM 1263 CA PRO A 87 19.271 -16.036 -1.584 1.00 0.00 C ATOM 1264 C PRO A 87 17.789 -16.222 -1.184 1.00 0.00 C ATOM 1265 O PRO A 87 16.923 -15.537 -1.738 1.00 0.00 O ATOM 1266 CB PRO A 87 19.981 -14.952 -0.759 1.00 0.00 C ATOM 1267 CG PRO A 87 20.868 -14.232 -1.774 1.00 0.00 C ATOM 1268 CD PRO A 87 20.092 -14.355 -3.086 1.00 0.00 C ATOM 0 HA PRO A 87 19.753 -16.998 -1.410 1.00 0.00 H new ATOM 0 HB2 PRO A 87 19.267 -14.269 -0.299 1.00 0.00 H new ATOM 0 HB3 PRO A 87 20.571 -15.387 0.048 1.00 0.00 H new ATOM 0 HG2 PRO A 87 21.026 -13.189 -1.499 1.00 0.00 H new ATOM 0 HG3 PRO A 87 21.852 -14.696 -1.846 1.00 0.00 H new ATOM 0 HD2 PRO A 87 19.416 -13.511 -3.224 1.00 0.00 H new ATOM 0 HD3 PRO A 87 20.766 -14.366 -3.942 1.00 0.00 H new ATOM 1276 N PRO A 88 17.457 -17.091 -0.210 1.00 0.00 N ATOM 1277 CA PRO A 88 16.070 -17.491 0.075 1.00 0.00 C ATOM 1278 C PRO A 88 15.133 -16.353 0.520 1.00 0.00 C ATOM 1279 O PRO A 88 13.921 -16.447 0.327 1.00 0.00 O ATOM 1280 CB PRO A 88 16.180 -18.600 1.131 1.00 0.00 C ATOM 1281 CG PRO A 88 17.531 -18.351 1.797 1.00 0.00 C ATOM 1282 CD PRO A 88 18.380 -17.830 0.640 1.00 0.00 C ATOM 0 HA PRO A 88 15.593 -17.830 -0.845 1.00 0.00 H new ATOM 0 HB2 PRO A 88 15.364 -18.545 1.852 1.00 0.00 H new ATOM 0 HB3 PRO A 88 16.137 -19.589 0.675 1.00 0.00 H new ATOM 0 HG2 PRO A 88 17.457 -17.624 2.605 1.00 0.00 H new ATOM 0 HG3 PRO A 88 17.946 -19.263 2.226 1.00 0.00 H new ATOM 0 HD2 PRO A 88 19.184 -17.188 1.000 1.00 0.00 H new ATOM 0 HD3 PRO A 88 18.847 -18.650 0.094 1.00 0.00 H new ATOM 1290 N GLU A 89 15.664 -15.244 1.043 1.00 0.00 N ATOM 1291 CA GLU A 89 14.859 -14.065 1.398 1.00 0.00 C ATOM 1292 C GLU A 89 14.341 -13.255 0.187 1.00 0.00 C ATOM 1293 O GLU A 89 13.417 -12.461 0.347 1.00 0.00 O ATOM 1294 CB GLU A 89 15.609 -13.197 2.419 1.00 0.00 C ATOM 1295 CG GLU A 89 16.937 -12.617 1.910 1.00 0.00 C ATOM 1296 CD GLU A 89 17.548 -11.654 2.951 1.00 0.00 C ATOM 1297 OE1 GLU A 89 18.266 -12.129 3.865 1.00 0.00 O ATOM 1298 OE2 GLU A 89 17.320 -10.421 2.859 1.00 0.00 O ATOM 0 H GLU A 89 16.660 -15.135 1.233 1.00 0.00 H new ATOM 0 HA GLU A 89 13.948 -14.439 1.866 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.961 -12.375 2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.806 -13.794 3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.637 -13.426 1.702 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.772 -12.088 0.971 1.00 0.00 H new ATOM 1305 N TRP A 90 14.863 -13.471 -1.028 1.00 0.00 N ATOM 1306 CA TRP A 90 14.445 -12.754 -2.252 1.00 0.00 C ATOM 1307 C TRP A 90 13.324 -13.447 -3.052 1.00 0.00 C ATOM 1308 O TRP A 90 12.896 -12.929 -4.084 1.00 0.00 O ATOM 1309 CB TRP A 90 15.675 -12.472 -3.127 1.00 0.00 C ATOM 1310 CG TRP A 90 16.631 -11.492 -2.530 1.00 0.00 C ATOM 1311 CD1 TRP A 90 17.717 -11.799 -1.787 1.00 0.00 C ATOM 1312 CD2 TRP A 90 16.534 -10.038 -2.512 1.00 0.00 C ATOM 1313 NE1 TRP A 90 18.300 -10.638 -1.314 1.00 0.00 N ATOM 1314 CE2 TRP A 90 17.578 -9.526 -1.687 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.619 -9.104 -3.040 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 17.665 -8.173 -1.346 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.705 -7.737 -2.717 1.00 0.00 C ATOM 1318 CH2 TRP A 90 16.717 -7.271 -1.855 1.00 0.00 C ATOM 0 H TRP A 90 15.598 -14.158 -1.196 1.00 0.00 H new ATOM 0 HA TRP A 90 13.999 -11.815 -1.925 1.00 0.00 H new ATOM 0 HB2 TRP A 90 16.199 -13.409 -3.312 1.00 0.00 H new ATOM 0 HB3 TRP A 90 15.342 -12.096 -4.095 1.00 0.00 H new ATOM 0 HD1 TRP A 90 18.075 -12.799 -1.592 1.00 0.00 H new ATOM 0 HE1 TRP A 90 19.156 -10.609 -0.760 1.00 0.00 H new ATOM 0 HE3 TRP A 90 14.838 -9.444 -3.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 18.455 -7.825 -0.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 14.991 -7.041 -3.132 1.00 0.00 H new ATOM 0 HH2 TRP A 90 16.763 -6.226 -1.587 1.00 0.00 H new ATOM 1329 N VAL A 91 12.860 -14.618 -2.600 1.00 0.00 N ATOM 1330 CA VAL A 91 11.875 -15.487 -3.288 1.00 0.00 C ATOM 1331 C VAL A 91 10.627 -15.809 -2.436 1.00 0.00 C ATOM 1332 O VAL A 91 9.872 -16.729 -2.746 1.00 0.00 O ATOM 1333 CB VAL A 91 12.556 -16.773 -3.808 1.00 0.00 C ATOM 1334 CG1 VAL A 91 13.599 -16.459 -4.886 1.00 0.00 C ATOM 1335 CG2 VAL A 91 13.239 -17.554 -2.679 1.00 0.00 C ATOM 0 H VAL A 91 13.168 -15.009 -1.710 1.00 0.00 H new ATOM 0 HA VAL A 91 11.502 -14.917 -4.139 1.00 0.00 H new ATOM 0 HB VAL A 91 11.762 -17.385 -4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 91 14.058 -17.386 -5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 91 13.115 -15.961 -5.726 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.367 -15.806 -4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 91 13.705 -18.451 -3.087 1.00 0.00 H new ATOM 0 HG22 VAL A 91 14.001 -16.929 -2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.497 -17.838 -1.933 1.00 0.00 H new ATOM 1345 N THR A 92 10.417 -15.062 -1.347 1.00 0.00 N ATOM 1346 CA THR A 92 9.394 -15.306 -0.299 1.00 0.00 C ATOM 1347 C THR A 92 8.376 -14.148 -0.171 1.00 0.00 C ATOM 1348 O THR A 92 7.420 -14.203 0.603 1.00 0.00 O ATOM 1349 CB THR A 92 10.117 -15.665 1.021 1.00 0.00 C ATOM 1350 OG1 THR A 92 9.240 -15.980 2.083 1.00 0.00 O ATOM 1351 CG2 THR A 92 11.063 -14.563 1.489 1.00 0.00 C ATOM 0 H THR A 92 10.976 -14.231 -1.154 1.00 0.00 H new ATOM 0 HA THR A 92 8.773 -16.155 -0.586 1.00 0.00 H new ATOM 0 HB THR A 92 10.689 -16.558 0.770 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.341 -15.650 1.874 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.544 -14.867 2.419 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.823 -14.388 0.728 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.499 -13.645 1.655 1.00 0.00 H new ATOM 1359 N GLN A 93 8.559 -13.103 -0.983 1.00 0.00 N ATOM 1360 CA GLN A 93 7.726 -11.907 -1.123 1.00 0.00 C ATOM 1361 C GLN A 93 6.276 -12.203 -1.551 1.00 0.00 C ATOM 1362 O GLN A 93 5.977 -13.252 -2.122 1.00 0.00 O ATOM 1363 CB GLN A 93 8.387 -10.993 -2.173 1.00 0.00 C ATOM 1364 CG GLN A 93 9.550 -10.154 -1.627 1.00 0.00 C ATOM 1365 CD GLN A 93 10.826 -10.924 -1.286 1.00 0.00 C ATOM 1366 OE1 GLN A 93 11.022 -12.076 -1.652 1.00 0.00 O ATOM 1367 NE2 GLN A 93 11.746 -10.338 -0.559 1.00 0.00 N ATOM 0 H GLN A 93 9.361 -13.070 -1.612 1.00 0.00 H new ATOM 0 HA GLN A 93 7.662 -11.435 -0.143 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.751 -11.607 -2.997 1.00 0.00 H new ATOM 0 HB3 GLN A 93 7.631 -10.324 -2.584 1.00 0.00 H new ATOM 0 HG2 GLN A 93 9.796 -9.388 -2.362 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.210 -9.637 -0.730 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.610 -9.379 -0.240 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.598 -10.841 -0.312 1.00 0.00 H new ATOM 1376 N GLU A 94 5.381 -11.232 -1.328 1.00 0.00 N ATOM 1377 CA GLU A 94 3.966 -11.348 -1.717 1.00 0.00 C ATOM 1378 C GLU A 94 3.760 -11.403 -3.243 1.00 0.00 C ATOM 1379 O GLU A 94 2.868 -12.117 -3.705 1.00 0.00 O ATOM 1380 CB GLU A 94 3.113 -10.236 -1.081 1.00 0.00 C ATOM 1381 CG GLU A 94 3.599 -8.801 -1.304 1.00 0.00 C ATOM 1382 CD GLU A 94 2.577 -7.793 -0.745 1.00 0.00 C ATOM 1383 OE1 GLU A 94 2.587 -7.525 0.482 1.00 0.00 O ATOM 1384 OE2 GLU A 94 1.748 -7.264 -1.526 1.00 0.00 O ATOM 0 H GLU A 94 5.614 -10.348 -0.876 1.00 0.00 H new ATOM 0 HA GLU A 94 3.624 -12.306 -1.325 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.098 -10.318 -1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.059 -10.417 -0.007 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.564 -8.658 -0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.749 -8.623 -2.369 1.00 0.00 H new ATOM 1391 N ILE A 95 4.596 -10.698 -4.026 1.00 0.00 N ATOM 1392 CA ILE A 95 4.588 -10.760 -5.496 1.00 0.00 C ATOM 1393 C ILE A 95 6.019 -10.929 -6.033 1.00 0.00 C ATOM 1394 O ILE A 95 6.911 -10.139 -5.715 1.00 0.00 O ATOM 1395 CB ILE A 95 3.863 -9.537 -6.115 1.00 0.00 C ATOM 1396 CG1 ILE A 95 2.475 -9.311 -5.463 1.00 0.00 C ATOM 1397 CG2 ILE A 95 3.729 -9.711 -7.642 1.00 0.00 C ATOM 1398 CD1 ILE A 95 1.699 -8.099 -5.979 1.00 0.00 C ATOM 0 H ILE A 95 5.302 -10.064 -3.651 1.00 0.00 H new ATOM 0 HA ILE A 95 4.018 -11.637 -5.801 1.00 0.00 H new ATOM 0 HB ILE A 95 4.466 -8.651 -5.916 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.869 -10.203 -5.620 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.611 -9.203 -4.387 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.218 -8.845 -8.063 1.00 0.00 H new ATOM 0 HG22 ILE A 95 4.720 -9.799 -8.087 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.154 -10.612 -7.856 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.743 -8.031 -5.459 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.277 -7.193 -5.797 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.523 -8.208 -7.049 1.00 0.00 H new ATOM 1410 N PHE A 96 6.220 -11.945 -6.876 1.00 0.00 N ATOM 1411 CA PHE A 96 7.486 -12.242 -7.555 1.00 0.00 C ATOM 1412 C PHE A 96 7.283 -12.445 -9.067 1.00 0.00 C ATOM 1413 O PHE A 96 6.239 -12.936 -9.499 1.00 0.00 O ATOM 1414 CB PHE A 96 8.145 -13.471 -6.908 1.00 0.00 C ATOM 1415 CG PHE A 96 9.549 -13.773 -7.414 1.00 0.00 C ATOM 1416 CD1 PHE A 96 9.742 -14.595 -8.544 1.00 0.00 C ATOM 1417 CD2 PHE A 96 10.668 -13.225 -6.762 1.00 0.00 C ATOM 1418 CE1 PHE A 96 11.039 -14.841 -9.029 1.00 0.00 C ATOM 1419 CE2 PHE A 96 11.965 -13.472 -7.248 1.00 0.00 C ATOM 1420 CZ PHE A 96 12.151 -14.278 -8.383 1.00 0.00 C ATOM 0 H PHE A 96 5.481 -12.607 -7.113 1.00 0.00 H new ATOM 0 HA PHE A 96 8.151 -11.386 -7.439 1.00 0.00 H new ATOM 0 HB2 PHE A 96 8.186 -13.320 -5.829 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.513 -14.342 -7.085 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.890 -15.037 -9.039 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.531 -12.611 -5.884 1.00 0.00 H new ATOM 0 HE1 PHE A 96 11.180 -15.464 -9.900 1.00 0.00 H new ATOM 0 HE2 PHE A 96 12.819 -13.041 -6.747 1.00 0.00 H new ATOM 0 HZ PHE A 96 13.147 -14.464 -8.758 1.00 0.00 H new ATOM 1430 N GLU A 97 8.291 -12.102 -9.869 1.00 0.00 N ATOM 1431 CA GLU A 97 8.338 -12.364 -11.318 1.00 0.00 C ATOM 1432 C GLU A 97 9.760 -12.682 -11.804 1.00 0.00 C ATOM 1433 O GLU A 97 10.740 -12.321 -11.158 1.00 0.00 O ATOM 1434 CB GLU A 97 7.917 -11.110 -12.114 1.00 0.00 C ATOM 1435 CG GLU A 97 6.504 -10.550 -11.910 1.00 0.00 C ATOM 1436 CD GLU A 97 5.380 -11.510 -12.352 1.00 0.00 C ATOM 1437 OE1 GLU A 97 5.635 -12.500 -13.082 1.00 0.00 O ATOM 1438 OE2 GLU A 97 4.203 -11.227 -12.020 1.00 0.00 O ATOM 0 H GLU A 97 9.122 -11.621 -9.525 1.00 0.00 H new ATOM 0 HA GLU A 97 7.668 -13.208 -11.481 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.625 -10.315 -11.878 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.033 -11.336 -13.174 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.368 -10.309 -10.856 1.00 0.00 H new ATOM 0 HG3 GLU A 97 6.410 -9.617 -12.465 1.00 0.00 H new ATOM 1445 N ASP A 98 9.869 -13.302 -12.979 1.00 0.00 N ATOM 1446 CA ASP A 98 11.126 -13.450 -13.727 1.00 0.00 C ATOM 1447 C ASP A 98 10.829 -13.197 -15.210 1.00 0.00 C ATOM 1448 O ASP A 98 9.899 -13.790 -15.767 1.00 0.00 O ATOM 1449 CB ASP A 98 11.846 -14.788 -13.533 1.00 0.00 C ATOM 1450 CG ASP A 98 13.091 -14.829 -14.437 1.00 0.00 C ATOM 1451 OD1 ASP A 98 14.082 -14.119 -14.144 1.00 0.00 O ATOM 1452 OD2 ASP A 98 13.055 -15.529 -15.473 1.00 0.00 O ATOM 0 H ASP A 98 9.070 -13.726 -13.451 1.00 0.00 H new ATOM 0 HA ASP A 98 11.825 -12.716 -13.326 1.00 0.00 H new ATOM 0 HB2 ASP A 98 12.136 -14.911 -12.489 1.00 0.00 H new ATOM 0 HB3 ASP A 98 11.177 -15.613 -13.777 1.00 0.00 H new ATOM 1457 N TRP A 99 11.599 -12.312 -15.842 1.00 0.00 N ATOM 1458 CA TRP A 99 11.430 -11.881 -17.230 1.00 0.00 C ATOM 1459 C TRP A 99 12.518 -12.478 -18.139 1.00 0.00 C ATOM 1460 O TRP A 99 13.667 -12.661 -17.737 1.00 0.00 O ATOM 1461 CB TRP A 99 11.344 -10.342 -17.283 1.00 0.00 C ATOM 1462 CG TRP A 99 10.207 -9.698 -16.525 1.00 0.00 C ATOM 1463 CD1 TRP A 99 9.117 -10.338 -16.028 1.00 0.00 C ATOM 1464 CD2 TRP A 99 10.012 -8.286 -16.177 1.00 0.00 C ATOM 1465 NE1 TRP A 99 8.295 -9.445 -15.374 1.00 0.00 N ATOM 1466 CE2 TRP A 99 8.782 -8.167 -15.462 1.00 0.00 C ATOM 1467 CE3 TRP A 99 10.714 -7.077 -16.417 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 8.280 -6.944 -15.007 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 10.221 -5.838 -15.959 1.00 0.00 C ATOM 1470 CH2 TRP A 99 9.002 -5.772 -15.261 1.00 0.00 C ATOM 0 H TRP A 99 12.389 -11.858 -15.383 1.00 0.00 H new ATOM 0 HA TRP A 99 10.491 -12.267 -17.626 1.00 0.00 H new ATOM 0 HB2 TRP A 99 12.281 -9.936 -16.901 1.00 0.00 H new ATOM 0 HB3 TRP A 99 11.269 -10.041 -18.328 1.00 0.00 H new ATOM 0 HD1 TRP A 99 8.922 -11.395 -16.130 1.00 0.00 H new ATOM 0 HE1 TRP A 99 7.436 -9.702 -14.888 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.646 -7.106 -16.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 7.346 -6.904 -14.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 10.783 -4.935 -16.145 1.00 0.00 H new ATOM 0 HH2 TRP A 99 8.624 -4.819 -14.922 1.00 0.00 H new ATOM 1481 N GLN A 100 12.149 -12.758 -19.394 1.00 0.00 N ATOM 1482 CA GLN A 100 12.962 -13.453 -20.412 1.00 0.00 C ATOM 1483 C GLN A 100 13.388 -12.393 -21.443 1.00 0.00 C ATOM 1484 O GLN A 100 13.026 -12.422 -22.620 1.00 0.00 O ATOM 1485 CB GLN A 100 12.172 -14.640 -21.014 1.00 0.00 C ATOM 1486 CG GLN A 100 11.839 -15.779 -20.029 1.00 0.00 C ATOM 1487 CD GLN A 100 10.803 -15.399 -18.967 1.00 0.00 C ATOM 1488 OE1 GLN A 100 9.687 -14.999 -19.274 1.00 0.00 O ATOM 1489 NE2 GLN A 100 11.109 -15.462 -17.688 1.00 0.00 N ATOM 0 H GLN A 100 11.230 -12.495 -19.750 1.00 0.00 H new ATOM 0 HA GLN A 100 13.860 -13.903 -19.989 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.240 -14.260 -21.432 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.747 -15.055 -21.842 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.470 -16.636 -20.592 1.00 0.00 H new ATOM 0 HG3 GLN A 100 12.756 -16.095 -19.531 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.030 -15.791 -17.400 1.00 0.00 H new ATOM 0 HE22 GLN A 100 10.425 -15.182 -16.985 1.00 0.00 H new ATOM 1498 N LEU A 101 14.097 -11.392 -20.920 1.00 0.00 N ATOM 1499 CA LEU A 101 14.428 -10.128 -21.573 1.00 0.00 C ATOM 1500 C LEU A 101 15.908 -10.057 -21.995 1.00 0.00 C ATOM 1501 O LEU A 101 16.799 -10.104 -21.148 1.00 0.00 O ATOM 1502 CB LEU A 101 13.973 -9.083 -20.527 1.00 0.00 C ATOM 1503 CG LEU A 101 13.866 -7.605 -20.897 1.00 0.00 C ATOM 1504 CD1 LEU A 101 15.224 -6.917 -20.886 1.00 0.00 C ATOM 1505 CD2 LEU A 101 13.185 -7.372 -22.239 1.00 0.00 C ATOM 0 H LEU A 101 14.477 -11.446 -19.975 1.00 0.00 H new ATOM 0 HA LEU A 101 13.932 -9.966 -22.530 1.00 0.00 H new ATOM 0 HB2 LEU A 101 12.993 -9.395 -20.167 1.00 0.00 H new ATOM 0 HB3 LEU A 101 14.660 -9.154 -19.683 1.00 0.00 H new ATOM 0 HG LEU A 101 13.237 -7.162 -20.125 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.102 -5.868 -21.155 1.00 0.00 H new ATOM 0 HD12 LEU A 101 15.660 -6.988 -19.890 1.00 0.00 H new ATOM 0 HD13 LEU A 101 15.883 -7.402 -21.606 1.00 0.00 H new ATOM 0 HD21 LEU A 101 13.140 -6.302 -22.443 1.00 0.00 H new ATOM 0 HD22 LEU A 101 13.753 -7.868 -23.026 1.00 0.00 H new ATOM 0 HD23 LEU A 101 12.174 -7.778 -22.209 1.00 0.00 H new ATOM 1517 N GLU A 102 16.173 -9.948 -23.303 1.00 0.00 N ATOM 1518 CA GLU A 102 17.527 -9.969 -23.867 1.00 0.00 C ATOM 1519 C GLU A 102 18.316 -8.679 -23.619 1.00 0.00 C ATOM 1520 O GLU A 102 17.775 -7.606 -23.367 1.00 0.00 O ATOM 1521 CB GLU A 102 17.510 -10.326 -25.367 1.00 0.00 C ATOM 1522 CG GLU A 102 16.941 -9.239 -26.292 1.00 0.00 C ATOM 1523 CD GLU A 102 17.069 -9.666 -27.769 1.00 0.00 C ATOM 1524 OE1 GLU A 102 18.176 -9.542 -28.349 1.00 0.00 O ATOM 1525 OE2 GLU A 102 16.063 -10.136 -28.356 1.00 0.00 O ATOM 0 H GLU A 102 15.443 -9.841 -24.008 1.00 0.00 H new ATOM 0 HA GLU A 102 18.055 -10.756 -23.329 1.00 0.00 H new ATOM 0 HB2 GLU A 102 18.529 -10.552 -25.682 1.00 0.00 H new ATOM 0 HB3 GLU A 102 16.926 -11.237 -25.501 1.00 0.00 H new ATOM 0 HG2 GLU A 102 15.894 -9.058 -26.049 1.00 0.00 H new ATOM 0 HG3 GLU A 102 17.473 -8.301 -26.131 1.00 0.00 H new ATOM 1532 N ASP A 103 19.628 -8.807 -23.721 1.00 0.00 N ATOM 1533 CA ASP A 103 20.620 -7.754 -23.541 1.00 0.00 C ATOM 1534 C ASP A 103 20.886 -6.948 -24.826 1.00 0.00 C ATOM 1535 O ASP A 103 21.358 -7.517 -25.813 1.00 0.00 O ATOM 1536 CB ASP A 103 21.915 -8.404 -23.025 1.00 0.00 C ATOM 1537 CG ASP A 103 22.385 -9.630 -23.848 1.00 0.00 C ATOM 1538 OD1 ASP A 103 21.699 -10.686 -23.814 1.00 0.00 O ATOM 1539 OD2 ASP A 103 23.454 -9.569 -24.503 1.00 0.00 O ATOM 0 H ASP A 103 20.058 -9.704 -23.946 1.00 0.00 H new ATOM 0 HA ASP A 103 20.233 -7.034 -22.820 1.00 0.00 H new ATOM 0 HB2 ASP A 103 22.708 -7.656 -23.024 1.00 0.00 H new ATOM 0 HB3 ASP A 103 21.766 -8.711 -21.990 1.00 0.00 H new ATOM 1544 N PRO A 104 20.631 -5.622 -24.845 1.00 0.00 N ATOM 1545 CA PRO A 104 20.963 -4.790 -25.996 1.00 0.00 C ATOM 1546 C PRO A 104 22.443 -4.364 -26.036 1.00 0.00 C ATOM 1547 O PRO A 104 22.967 -4.101 -27.122 1.00 0.00 O ATOM 1548 CB PRO A 104 20.027 -3.589 -25.874 1.00 0.00 C ATOM 1549 CG PRO A 104 19.863 -3.414 -24.365 1.00 0.00 C ATOM 1550 CD PRO A 104 19.845 -4.862 -23.881 1.00 0.00 C ATOM 0 HA PRO A 104 20.830 -5.336 -26.930 1.00 0.00 H new ATOM 0 HB2 PRO A 104 20.454 -2.699 -26.337 1.00 0.00 H new ATOM 0 HB3 PRO A 104 19.070 -3.775 -26.363 1.00 0.00 H new ATOM 0 HG2 PRO A 104 20.685 -2.847 -23.928 1.00 0.00 H new ATOM 0 HG3 PRO A 104 18.943 -2.887 -24.112 1.00 0.00 H new ATOM 0 HD2 PRO A 104 20.271 -4.944 -22.881 1.00 0.00 H new ATOM 0 HD3 PRO A 104 18.825 -5.241 -23.825 1.00 0.00 H new ATOM 1558 N ASP A 105 23.142 -4.307 -24.893 1.00 0.00 N ATOM 1559 CA ASP A 105 24.553 -3.902 -24.844 1.00 0.00 C ATOM 1560 C ASP A 105 25.450 -4.876 -25.633 1.00 0.00 C ATOM 1561 O ASP A 105 25.425 -6.092 -25.419 1.00 0.00 O ATOM 1562 CB ASP A 105 25.013 -3.763 -23.384 1.00 0.00 C ATOM 1563 CG ASP A 105 26.459 -3.249 -23.252 1.00 0.00 C ATOM 1564 OD1 ASP A 105 26.900 -2.431 -24.095 1.00 0.00 O ATOM 1565 OD2 ASP A 105 27.149 -3.635 -22.276 1.00 0.00 O ATOM 0 H ASP A 105 22.747 -4.539 -23.982 1.00 0.00 H new ATOM 0 HA ASP A 105 24.648 -2.929 -25.326 1.00 0.00 H new ATOM 0 HB2 ASP A 105 24.342 -3.081 -22.861 1.00 0.00 H new ATOM 0 HB3 ASP A 105 24.931 -4.731 -22.890 1.00 0.00 H new ATOM 1570 N GLY A 106 26.238 -4.335 -26.568 1.00 0.00 N ATOM 1571 CA GLY A 106 27.067 -5.109 -27.500 1.00 0.00 C ATOM 1572 C GLY A 106 26.334 -5.645 -28.742 1.00 0.00 C ATOM 1573 O GLY A 106 26.989 -6.254 -29.592 1.00 0.00 O ATOM 0 H GLY A 106 26.320 -3.327 -26.701 1.00 0.00 H new ATOM 0 HA2 GLY A 106 27.896 -4.482 -27.830 1.00 0.00 H new ATOM 0 HA3 GLY A 106 27.500 -5.952 -26.962 1.00 0.00 H new ATOM 1577 N GLN A 107 25.019 -5.412 -28.891 1.00 0.00 N ATOM 1578 CA GLN A 107 24.273 -5.710 -30.125 1.00 0.00 C ATOM 1579 C GLN A 107 24.189 -4.492 -31.062 1.00 0.00 C ATOM 1580 O GLN A 107 25.038 -4.335 -31.943 1.00 0.00 O ATOM 1581 CB GLN A 107 22.904 -6.360 -29.841 1.00 0.00 C ATOM 1582 CG GLN A 107 23.001 -7.767 -29.233 1.00 0.00 C ATOM 1583 CD GLN A 107 21.675 -8.520 -29.382 1.00 0.00 C ATOM 1584 OE1 GLN A 107 21.348 -9.051 -30.437 1.00 0.00 O ATOM 1585 NE2 GLN A 107 20.850 -8.565 -28.364 1.00 0.00 N ATOM 0 H GLN A 107 24.440 -5.009 -28.154 1.00 0.00 H new ATOM 0 HA GLN A 107 24.846 -6.462 -30.668 1.00 0.00 H new ATOM 0 HB2 GLN A 107 22.341 -5.719 -29.162 1.00 0.00 H new ATOM 0 HB3 GLN A 107 22.338 -6.414 -30.771 1.00 0.00 H new ATOM 0 HG2 GLN A 107 23.798 -8.325 -29.724 1.00 0.00 H new ATOM 0 HG3 GLN A 107 23.266 -7.694 -28.178 1.00 0.00 H new ATOM 0 HE21 GLN A 107 21.108 -8.128 -27.479 1.00 0.00 H new ATOM 0 HE22 GLN A 107 19.951 -9.037 -28.457 1.00 0.00 H new ATOM 1594 N SER A 108 23.168 -3.641 -30.904 1.00 0.00 N ATOM 1595 CA SER A 108 22.921 -2.470 -31.762 1.00 0.00 C ATOM 1596 C SER A 108 21.983 -1.478 -31.076 1.00 0.00 C ATOM 1597 O SER A 108 21.160 -1.856 -30.241 1.00 0.00 O ATOM 1598 CB SER A 108 22.326 -2.921 -33.107 1.00 0.00 C ATOM 1599 OG SER A 108 21.994 -1.809 -33.925 1.00 0.00 O ATOM 0 H SER A 108 22.476 -3.747 -30.163 1.00 0.00 H new ATOM 0 HA SER A 108 23.872 -1.969 -31.942 1.00 0.00 H new ATOM 0 HB2 SER A 108 23.041 -3.557 -33.628 1.00 0.00 H new ATOM 0 HB3 SER A 108 21.435 -3.523 -32.929 1.00 0.00 H new ATOM 0 HG SER A 108 21.620 -2.127 -34.773 1.00 0.00 H new ATOM 1605 N LEU A 109 22.049 -0.208 -31.471 1.00 0.00 N ATOM 1606 CA LEU A 109 21.219 0.878 -30.941 1.00 0.00 C ATOM 1607 C LEU A 109 19.734 0.666 -31.272 1.00 0.00 C ATOM 1608 O LEU A 109 18.865 0.969 -30.459 1.00 0.00 O ATOM 1609 CB LEU A 109 21.758 2.227 -31.472 1.00 0.00 C ATOM 1610 CG LEU A 109 23.187 2.636 -31.039 1.00 0.00 C ATOM 1611 CD1 LEU A 109 23.420 2.469 -29.536 1.00 0.00 C ATOM 1612 CD2 LEU A 109 24.307 1.878 -31.761 1.00 0.00 C ATOM 0 H LEU A 109 22.701 0.106 -32.190 1.00 0.00 H new ATOM 0 HA LEU A 109 21.281 0.886 -29.853 1.00 0.00 H new ATOM 0 HB2 LEU A 109 21.730 2.197 -32.561 1.00 0.00 H new ATOM 0 HB3 LEU A 109 21.071 3.013 -31.157 1.00 0.00 H new ATOM 0 HG LEU A 109 23.236 3.688 -31.320 1.00 0.00 H new ATOM 0 HD11 LEU A 109 24.438 2.771 -29.290 1.00 0.00 H new ATOM 0 HD12 LEU A 109 22.714 3.092 -28.987 1.00 0.00 H new ATOM 0 HD13 LEU A 109 23.274 1.425 -29.259 1.00 0.00 H new ATOM 0 HD21 LEU A 109 25.274 2.226 -31.398 1.00 0.00 H new ATOM 0 HD22 LEU A 109 24.209 0.810 -31.565 1.00 0.00 H new ATOM 0 HD23 LEU A 109 24.236 2.058 -32.834 1.00 0.00 H new ATOM 1624 N GLU A 110 19.422 0.012 -32.391 1.00 0.00 N ATOM 1625 CA GLU A 110 18.041 -0.385 -32.701 1.00 0.00 C ATOM 1626 C GLU A 110 17.558 -1.556 -31.823 1.00 0.00 C ATOM 1627 O GLU A 110 16.365 -1.663 -31.544 1.00 0.00 O ATOM 1628 CB GLU A 110 17.891 -0.673 -34.203 1.00 0.00 C ATOM 1629 CG GLU A 110 18.237 0.543 -35.084 1.00 0.00 C ATOM 1630 CD GLU A 110 17.391 1.787 -34.730 1.00 0.00 C ATOM 1631 OE1 GLU A 110 16.185 1.819 -35.077 1.00 0.00 O ATOM 1632 OE2 GLU A 110 17.922 2.736 -34.103 1.00 0.00 O ATOM 0 H GLU A 110 20.104 -0.256 -33.100 1.00 0.00 H new ATOM 0 HA GLU A 110 17.387 0.453 -32.457 1.00 0.00 H new ATOM 0 HB2 GLU A 110 18.538 -1.508 -34.474 1.00 0.00 H new ATOM 0 HB3 GLU A 110 16.867 -0.984 -34.408 1.00 0.00 H new ATOM 0 HG2 GLU A 110 19.294 0.782 -34.970 1.00 0.00 H new ATOM 0 HG3 GLU A 110 18.079 0.286 -36.131 1.00 0.00 H new ATOM 1639 N VAL A 111 18.471 -2.378 -31.280 1.00 0.00 N ATOM 1640 CA VAL A 111 18.127 -3.383 -30.257 1.00 0.00 C ATOM 1641 C VAL A 111 17.894 -2.699 -28.912 1.00 0.00 C ATOM 1642 O VAL A 111 16.947 -3.073 -28.231 1.00 0.00 O ATOM 1643 CB VAL A 111 19.151 -4.532 -30.179 1.00 0.00 C ATOM 1644 CG1 VAL A 111 18.717 -5.603 -29.172 1.00 0.00 C ATOM 1645 CG2 VAL A 111 19.284 -5.238 -31.536 1.00 0.00 C ATOM 0 H VAL A 111 19.459 -2.367 -31.533 1.00 0.00 H new ATOM 0 HA VAL A 111 17.195 -3.863 -30.555 1.00 0.00 H new ATOM 0 HB VAL A 111 20.095 -4.079 -29.875 1.00 0.00 H new ATOM 0 HG11 VAL A 111 19.462 -6.398 -29.143 1.00 0.00 H new ATOM 0 HG12 VAL A 111 18.624 -5.156 -28.182 1.00 0.00 H new ATOM 0 HG13 VAL A 111 17.755 -6.018 -29.474 1.00 0.00 H new ATOM 0 HG21 VAL A 111 20.012 -6.045 -31.456 1.00 0.00 H new ATOM 0 HG22 VAL A 111 18.318 -5.649 -31.829 1.00 0.00 H new ATOM 0 HG23 VAL A 111 19.617 -4.522 -32.288 1.00 0.00 H new ATOM 1655 N PHE A 112 18.626 -1.634 -28.550 1.00 0.00 N ATOM 1656 CA PHE A 112 18.277 -0.806 -27.376 1.00 0.00 C ATOM 1657 C PHE A 112 16.864 -0.215 -27.531 1.00 0.00 C ATOM 1658 O PHE A 112 16.032 -0.363 -26.636 1.00 0.00 O ATOM 1659 CB PHE A 112 19.304 0.322 -27.158 1.00 0.00 C ATOM 1660 CG PHE A 112 20.572 -0.050 -26.416 1.00 0.00 C ATOM 1661 CD1 PHE A 112 20.605 0.049 -25.014 1.00 0.00 C ATOM 1662 CD2 PHE A 112 21.728 -0.450 -27.112 1.00 0.00 C ATOM 1663 CE1 PHE A 112 21.789 -0.232 -24.313 1.00 0.00 C ATOM 1664 CE2 PHE A 112 22.908 -0.749 -26.408 1.00 0.00 C ATOM 1665 CZ PHE A 112 22.942 -0.632 -25.008 1.00 0.00 C ATOM 0 H PHE A 112 19.460 -1.324 -29.048 1.00 0.00 H new ATOM 0 HA PHE A 112 18.295 -1.453 -26.499 1.00 0.00 H new ATOM 0 HB2 PHE A 112 19.584 0.721 -28.133 1.00 0.00 H new ATOM 0 HB3 PHE A 112 18.814 1.128 -26.612 1.00 0.00 H new ATOM 0 HD1 PHE A 112 19.717 0.342 -24.474 1.00 0.00 H new ATOM 0 HD2 PHE A 112 21.709 -0.527 -28.189 1.00 0.00 H new ATOM 0 HE1 PHE A 112 21.813 -0.140 -23.237 1.00 0.00 H new ATOM 0 HE2 PHE A 112 23.789 -1.069 -26.944 1.00 0.00 H new ATOM 0 HZ PHE A 112 23.852 -0.849 -24.468 1.00 0.00 H new ATOM 1675 N ARG A 113 16.548 0.368 -28.696 1.00 0.00 N ATOM 1676 CA ARG A 113 15.209 0.917 -29.009 1.00 0.00 C ATOM 1677 C ARG A 113 14.103 -0.153 -29.093 1.00 0.00 C ATOM 1678 O ARG A 113 12.938 0.168 -28.875 1.00 0.00 O ATOM 1679 CB ARG A 113 15.270 1.754 -30.303 1.00 0.00 C ATOM 1680 CG ARG A 113 16.118 3.026 -30.137 1.00 0.00 C ATOM 1681 CD ARG A 113 15.993 3.931 -31.366 1.00 0.00 C ATOM 1682 NE ARG A 113 16.656 5.226 -31.131 1.00 0.00 N ATOM 1683 CZ ARG A 113 17.725 5.720 -31.724 1.00 0.00 C ATOM 1684 NH1 ARG A 113 18.362 5.113 -32.686 1.00 0.00 N ATOM 1685 NH2 ARG A 113 18.164 6.885 -31.345 1.00 0.00 N ATOM 0 H ARG A 113 17.217 0.476 -29.459 1.00 0.00 H new ATOM 0 HA ARG A 113 14.931 1.558 -28.172 1.00 0.00 H new ATOM 0 HB2 ARG A 113 15.685 1.146 -31.107 1.00 0.00 H new ATOM 0 HB3 ARG A 113 14.259 2.031 -30.602 1.00 0.00 H new ATOM 0 HG2 ARG A 113 15.797 3.568 -29.247 1.00 0.00 H new ATOM 0 HG3 ARG A 113 17.163 2.754 -29.985 1.00 0.00 H new ATOM 0 HD2 ARG A 113 16.439 3.441 -32.231 1.00 0.00 H new ATOM 0 HD3 ARG A 113 14.940 4.093 -31.599 1.00 0.00 H new ATOM 0 HE ARG A 113 16.232 5.818 -30.416 1.00 0.00 H new ATOM 0 HH11 ARG A 113 18.038 4.205 -33.019 1.00 0.00 H new ATOM 0 HH12 ARG A 113 19.184 5.546 -33.106 1.00 0.00 H new ATOM 0 HH21 ARG A 113 17.683 7.395 -30.604 1.00 0.00 H new ATOM 0 HH22 ARG A 113 18.989 7.288 -31.789 1.00 0.00 H new ATOM 1699 N THR A 114 14.459 -1.418 -29.329 1.00 0.00 N ATOM 1700 CA THR A 114 13.548 -2.574 -29.244 1.00 0.00 C ATOM 1701 C THR A 114 13.340 -3.030 -27.798 1.00 0.00 C ATOM 1702 O THR A 114 12.205 -3.112 -27.328 1.00 0.00 O ATOM 1703 CB THR A 114 14.057 -3.746 -30.106 1.00 0.00 C ATOM 1704 OG1 THR A 114 14.181 -3.354 -31.456 1.00 0.00 O ATOM 1705 CG2 THR A 114 13.094 -4.938 -30.092 1.00 0.00 C ATOM 0 H THR A 114 15.410 -1.679 -29.591 1.00 0.00 H new ATOM 0 HA THR A 114 12.583 -2.248 -29.633 1.00 0.00 H new ATOM 0 HB THR A 114 15.017 -4.033 -29.678 1.00 0.00 H new ATOM 0 HG1 THR A 114 14.944 -2.747 -31.552 1.00 0.00 H new ATOM 0 HG21 THR A 114 13.496 -5.738 -30.713 1.00 0.00 H new ATOM 0 HG22 THR A 114 12.975 -5.297 -29.070 1.00 0.00 H new ATOM 0 HG23 THR A 114 12.125 -4.627 -30.483 1.00 0.00 H new ATOM 1713 N VAL A 115 14.427 -3.305 -27.067 1.00 0.00 N ATOM 1714 CA VAL A 115 14.394 -3.882 -25.707 1.00 0.00 C ATOM 1715 C VAL A 115 13.763 -2.919 -24.712 1.00 0.00 C ATOM 1716 O VAL A 115 13.015 -3.368 -23.852 1.00 0.00 O ATOM 1717 CB VAL A 115 15.786 -4.403 -25.263 1.00 0.00 C ATOM 1718 CG1 VAL A 115 15.759 -4.879 -23.808 1.00 0.00 C ATOM 1719 CG2 VAL A 115 16.220 -5.587 -26.137 1.00 0.00 C ATOM 0 H VAL A 115 15.374 -3.132 -27.405 1.00 0.00 H new ATOM 0 HA VAL A 115 13.749 -4.760 -25.732 1.00 0.00 H new ATOM 0 HB VAL A 115 16.487 -3.575 -25.368 1.00 0.00 H new ATOM 0 HG11 VAL A 115 16.748 -5.239 -23.524 1.00 0.00 H new ATOM 0 HG12 VAL A 115 15.474 -4.051 -23.159 1.00 0.00 H new ATOM 0 HG13 VAL A 115 15.035 -5.687 -23.703 1.00 0.00 H new ATOM 0 HG21 VAL A 115 17.199 -5.940 -25.812 1.00 0.00 H new ATOM 0 HG22 VAL A 115 15.494 -6.394 -26.043 1.00 0.00 H new ATOM 0 HG23 VAL A 115 16.277 -5.269 -27.178 1.00 0.00 H new ATOM 1729 N ARG A 116 13.919 -1.602 -24.885 1.00 0.00 N ATOM 1730 CA ARG A 116 13.240 -0.601 -24.036 1.00 0.00 C ATOM 1731 C ARG A 116 11.714 -0.747 -24.041 1.00 0.00 C ATOM 1732 O ARG A 116 11.090 -0.695 -22.991 1.00 0.00 O ATOM 1733 CB ARG A 116 13.728 0.804 -24.432 1.00 0.00 C ATOM 1734 CG ARG A 116 12.988 1.445 -25.608 1.00 0.00 C ATOM 1735 CD ARG A 116 13.576 2.801 -25.995 1.00 0.00 C ATOM 1736 NE ARG A 116 12.847 3.340 -27.163 1.00 0.00 N ATOM 1737 CZ ARG A 116 13.202 4.366 -27.909 1.00 0.00 C ATOM 1738 NH1 ARG A 116 14.268 5.054 -27.655 1.00 0.00 N ATOM 1739 NH2 ARG A 116 12.506 4.713 -28.949 1.00 0.00 N ATOM 0 H ARG A 116 14.512 -1.197 -25.609 1.00 0.00 H new ATOM 0 HA ARG A 116 13.513 -0.776 -22.995 1.00 0.00 H new ATOM 0 HB2 ARG A 116 13.637 1.460 -23.566 1.00 0.00 H new ATOM 0 HB3 ARG A 116 14.788 0.746 -24.679 1.00 0.00 H new ATOM 0 HG2 ARG A 116 13.028 0.776 -26.467 1.00 0.00 H new ATOM 0 HG3 ARG A 116 11.937 1.568 -25.349 1.00 0.00 H new ATOM 0 HD2 ARG A 116 13.503 3.493 -25.156 1.00 0.00 H new ATOM 0 HD3 ARG A 116 14.635 2.696 -26.231 1.00 0.00 H new ATOM 0 HE ARG A 116 11.979 2.868 -27.418 1.00 0.00 H new ATOM 0 HH11 ARG A 116 14.857 4.806 -26.860 1.00 0.00 H new ATOM 0 HH12 ARG A 116 14.519 5.844 -28.250 1.00 0.00 H new ATOM 0 HH21 ARG A 116 11.668 4.188 -29.200 1.00 0.00 H new ATOM 0 HH22 ARG A 116 12.797 5.511 -29.514 1.00 0.00 H new ATOM 1753 N GLY A 117 11.128 -1.040 -25.204 1.00 0.00 N ATOM 1754 CA GLY A 117 9.687 -1.298 -25.351 1.00 0.00 C ATOM 1755 C GLY A 117 9.269 -2.618 -24.706 1.00 0.00 C ATOM 1756 O GLY A 117 8.226 -2.691 -24.060 1.00 0.00 O ATOM 0 H GLY A 117 11.643 -1.106 -26.082 1.00 0.00 H new ATOM 0 HA2 GLY A 117 9.125 -0.481 -24.899 1.00 0.00 H new ATOM 0 HA3 GLY A 117 9.429 -1.315 -26.410 1.00 0.00 H new ATOM 1760 N GLN A 118 10.137 -3.637 -24.769 1.00 0.00 N ATOM 1761 CA GLN A 118 9.899 -4.927 -24.112 1.00 0.00 C ATOM 1762 C GLN A 118 9.955 -4.801 -22.586 1.00 0.00 C ATOM 1763 O GLN A 118 9.119 -5.381 -21.897 1.00 0.00 O ATOM 1764 CB GLN A 118 10.886 -5.998 -24.627 1.00 0.00 C ATOM 1765 CG GLN A 118 10.975 -6.176 -26.153 1.00 0.00 C ATOM 1766 CD GLN A 118 9.623 -6.197 -26.862 1.00 0.00 C ATOM 1767 OE1 GLN A 118 8.821 -7.104 -26.693 1.00 0.00 O ATOM 1768 NE2 GLN A 118 9.315 -5.195 -27.664 1.00 0.00 N ATOM 0 H GLN A 118 11.021 -3.589 -25.276 1.00 0.00 H new ATOM 0 HA GLN A 118 8.891 -5.250 -24.371 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.880 -5.752 -24.254 1.00 0.00 H new ATOM 0 HB3 GLN A 118 10.609 -6.956 -24.188 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.577 -5.367 -26.567 1.00 0.00 H new ATOM 0 HG3 GLN A 118 11.500 -7.107 -26.369 1.00 0.00 H new ATOM 0 HE21 GLN A 118 9.980 -4.435 -27.809 1.00 0.00 H new ATOM 0 HE22 GLN A 118 8.412 -5.181 -28.139 1.00 0.00 H new ATOM 1777 N VAL A 119 10.883 -3.996 -22.059 1.00 0.00 N ATOM 1778 CA VAL A 119 10.938 -3.601 -20.637 1.00 0.00 C ATOM 1779 C VAL A 119 9.695 -2.801 -20.252 1.00 0.00 C ATOM 1780 O VAL A 119 9.045 -3.153 -19.277 1.00 0.00 O ATOM 1781 CB VAL A 119 12.232 -2.808 -20.340 1.00 0.00 C ATOM 1782 CG1 VAL A 119 12.276 -2.218 -18.925 1.00 0.00 C ATOM 1783 CG2 VAL A 119 13.473 -3.692 -20.473 1.00 0.00 C ATOM 0 H VAL A 119 11.635 -3.589 -22.616 1.00 0.00 H new ATOM 0 HA VAL A 119 10.955 -4.505 -20.028 1.00 0.00 H new ATOM 0 HB VAL A 119 12.228 -2.002 -21.074 1.00 0.00 H new ATOM 0 HG11 VAL A 119 13.211 -1.675 -18.786 1.00 0.00 H new ATOM 0 HG12 VAL A 119 11.437 -1.536 -18.789 1.00 0.00 H new ATOM 0 HG13 VAL A 119 12.211 -3.023 -18.193 1.00 0.00 H new ATOM 0 HG21 VAL A 119 14.364 -3.103 -20.258 1.00 0.00 H new ATOM 0 HG22 VAL A 119 13.407 -4.521 -19.768 1.00 0.00 H new ATOM 0 HG23 VAL A 119 13.534 -4.084 -21.488 1.00 0.00 H new ATOM 1793 N LYS A 120 9.315 -1.780 -21.029 1.00 0.00 N ATOM 1794 CA LYS A 120 8.132 -0.927 -20.789 1.00 0.00 C ATOM 1795 C LYS A 120 6.844 -1.735 -20.687 1.00 0.00 C ATOM 1796 O LYS A 120 6.133 -1.555 -19.716 1.00 0.00 O ATOM 1797 CB LYS A 120 8.080 0.155 -21.887 1.00 0.00 C ATOM 1798 CG LYS A 120 6.982 1.214 -21.690 1.00 0.00 C ATOM 1799 CD LYS A 120 5.666 0.916 -22.431 1.00 0.00 C ATOM 1800 CE LYS A 120 4.747 2.145 -22.330 1.00 0.00 C ATOM 1801 NZ LYS A 120 3.436 1.916 -22.995 1.00 0.00 N ATOM 0 H LYS A 120 9.832 -1.512 -21.866 1.00 0.00 H new ATOM 0 HA LYS A 120 8.226 -0.439 -19.819 1.00 0.00 H new ATOM 0 HB2 LYS A 120 9.047 0.657 -21.931 1.00 0.00 H new ATOM 0 HB3 LYS A 120 7.929 -0.331 -22.851 1.00 0.00 H new ATOM 0 HG2 LYS A 120 6.771 1.306 -20.625 1.00 0.00 H new ATOM 0 HG3 LYS A 120 7.362 2.179 -22.025 1.00 0.00 H new ATOM 0 HD2 LYS A 120 5.867 0.681 -23.476 1.00 0.00 H new ATOM 0 HD3 LYS A 120 5.178 0.044 -21.996 1.00 0.00 H new ATOM 0 HE2 LYS A 120 4.583 2.390 -21.281 1.00 0.00 H new ATOM 0 HE3 LYS A 120 5.239 3.004 -22.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 3.029 2.829 -23.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 3.572 1.318 -23.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 2.789 1.442 -22.333 1.00 0.00 H new ATOM 1815 N GLU A 121 6.554 -2.672 -21.586 1.00 0.00 N ATOM 1816 CA GLU A 121 5.318 -3.483 -21.465 1.00 0.00 C ATOM 1817 C GLU A 121 5.362 -4.456 -20.271 1.00 0.00 C ATOM 1818 O GLU A 121 4.331 -4.782 -19.679 1.00 0.00 O ATOM 1819 CB GLU A 121 4.996 -4.199 -22.789 1.00 0.00 C ATOM 1820 CG GLU A 121 5.993 -5.301 -23.172 1.00 0.00 C ATOM 1821 CD GLU A 121 5.635 -6.042 -24.478 1.00 0.00 C ATOM 1822 OE1 GLU A 121 4.942 -5.482 -25.362 1.00 0.00 O ATOM 1823 OE2 GLU A 121 6.079 -7.208 -24.627 1.00 0.00 O ATOM 0 H GLU A 121 7.135 -2.895 -22.394 1.00 0.00 H new ATOM 0 HA GLU A 121 4.500 -2.794 -21.256 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.000 -4.636 -22.719 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.965 -3.460 -23.590 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.984 -4.860 -23.276 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.050 -6.025 -22.359 1.00 0.00 H new ATOM 1830 N ARG A 122 6.566 -4.872 -19.859 1.00 0.00 N ATOM 1831 CA ARG A 122 6.782 -5.715 -18.670 1.00 0.00 C ATOM 1832 C ARG A 122 6.575 -4.919 -17.379 1.00 0.00 C ATOM 1833 O ARG A 122 5.744 -5.323 -16.569 1.00 0.00 O ATOM 1834 CB ARG A 122 8.131 -6.449 -18.795 1.00 0.00 C ATOM 1835 CG ARG A 122 7.974 -7.612 -19.790 1.00 0.00 C ATOM 1836 CD ARG A 122 9.300 -8.169 -20.329 1.00 0.00 C ATOM 1837 NE ARG A 122 9.061 -9.201 -21.367 1.00 0.00 N ATOM 1838 CZ ARG A 122 8.514 -9.034 -22.562 1.00 0.00 C ATOM 1839 NH1 ARG A 122 8.215 -7.859 -23.025 1.00 0.00 N ATOM 1840 NH2 ARG A 122 8.235 -10.051 -23.321 1.00 0.00 N ATOM 0 H ARG A 122 7.430 -4.631 -20.346 1.00 0.00 H new ATOM 0 HA ARG A 122 6.026 -6.499 -18.613 1.00 0.00 H new ATOM 0 HB2 ARG A 122 8.904 -5.761 -19.138 1.00 0.00 H new ATOM 0 HB3 ARG A 122 8.447 -6.825 -17.822 1.00 0.00 H new ATOM 0 HG2 ARG A 122 7.426 -8.419 -19.303 1.00 0.00 H new ATOM 0 HG3 ARG A 122 7.367 -7.276 -20.630 1.00 0.00 H new ATOM 0 HD2 ARG A 122 9.896 -7.358 -20.748 1.00 0.00 H new ATOM 0 HD3 ARG A 122 9.878 -8.599 -19.510 1.00 0.00 H new ATOM 0 HE ARG A 122 9.352 -10.150 -21.134 1.00 0.00 H new ATOM 0 HH11 ARG A 122 8.400 -7.027 -22.464 1.00 0.00 H new ATOM 0 HH12 ARG A 122 7.795 -7.767 -23.950 1.00 0.00 H new ATOM 0 HH21 ARG A 122 8.437 -10.998 -23.000 1.00 0.00 H new ATOM 0 HH22 ARG A 122 7.814 -9.903 -24.238 1.00 0.00 H new ATOM 1854 N VAL A 123 7.196 -3.744 -17.230 1.00 0.00 N ATOM 1855 CA VAL A 123 6.880 -2.820 -16.123 1.00 0.00 C ATOM 1856 C VAL A 123 5.414 -2.372 -16.131 1.00 0.00 C ATOM 1857 O VAL A 123 4.788 -2.393 -15.081 1.00 0.00 O ATOM 1858 CB VAL A 123 7.853 -1.625 -16.032 1.00 0.00 C ATOM 1859 CG1 VAL A 123 9.295 -2.086 -15.772 1.00 0.00 C ATOM 1860 CG2 VAL A 123 7.891 -0.681 -17.214 1.00 0.00 C ATOM 0 H VAL A 123 7.922 -3.405 -17.861 1.00 0.00 H new ATOM 0 HA VAL A 123 7.027 -3.397 -15.210 1.00 0.00 H new ATOM 0 HB VAL A 123 7.437 -1.063 -15.196 1.00 0.00 H new ATOM 0 HG11 VAL A 123 9.950 -1.217 -15.714 1.00 0.00 H new ATOM 0 HG12 VAL A 123 9.337 -2.635 -14.831 1.00 0.00 H new ATOM 0 HG13 VAL A 123 9.622 -2.734 -16.585 1.00 0.00 H new ATOM 0 HG21 VAL A 123 8.613 0.113 -17.023 1.00 0.00 H new ATOM 0 HG22 VAL A 123 8.184 -1.230 -18.109 1.00 0.00 H new ATOM 0 HG23 VAL A 123 6.903 -0.244 -17.363 1.00 0.00 H new ATOM 1870 N GLU A 124 4.814 -2.049 -17.280 1.00 0.00 N ATOM 1871 CA GLU A 124 3.437 -1.577 -17.356 1.00 0.00 C ATOM 1872 C GLU A 124 2.430 -2.636 -16.902 1.00 0.00 C ATOM 1873 O GLU A 124 1.626 -2.359 -16.012 1.00 0.00 O ATOM 1874 CB GLU A 124 3.143 -1.125 -18.793 1.00 0.00 C ATOM 1875 CG GLU A 124 2.009 -0.115 -18.818 1.00 0.00 C ATOM 1876 CD GLU A 124 1.359 -0.036 -20.211 1.00 0.00 C ATOM 1877 OE1 GLU A 124 2.032 0.407 -21.172 1.00 0.00 O ATOM 1878 OE2 GLU A 124 0.172 -0.419 -20.353 1.00 0.00 O ATOM 0 H GLU A 124 5.277 -2.110 -18.187 1.00 0.00 H new ATOM 0 HA GLU A 124 3.326 -0.736 -16.671 1.00 0.00 H new ATOM 0 HB2 GLU A 124 4.039 -0.684 -19.231 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.881 -1.988 -19.404 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.257 -0.391 -18.079 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.388 0.867 -18.535 1.00 0.00 H new ATOM 1885 N ASN A 125 2.493 -3.863 -17.439 1.00 0.00 N ATOM 1886 CA ASN A 125 1.523 -4.899 -17.061 1.00 0.00 C ATOM 1887 C ASN A 125 1.721 -5.376 -15.608 1.00 0.00 C ATOM 1888 O ASN A 125 0.740 -5.668 -14.927 1.00 0.00 O ATOM 1889 CB ASN A 125 1.491 -6.040 -18.099 1.00 0.00 C ATOM 1890 CG ASN A 125 2.369 -7.220 -17.729 1.00 0.00 C ATOM 1891 OD1 ASN A 125 1.954 -8.151 -17.056 1.00 0.00 O ATOM 1892 ND2 ASN A 125 3.620 -7.192 -18.109 1.00 0.00 N ATOM 0 H ASN A 125 3.190 -4.158 -18.122 1.00 0.00 H new ATOM 0 HA ASN A 125 0.528 -4.454 -17.077 1.00 0.00 H new ATOM 0 HB2 ASN A 125 0.464 -6.385 -18.217 1.00 0.00 H new ATOM 0 HB3 ASN A 125 1.809 -5.650 -19.066 1.00 0.00 H new ATOM 0 HD21 ASN A 125 4.251 -7.948 -17.843 1.00 0.00 H new ATOM 0 HD22 ASN A 125 3.965 -6.414 -18.671 1.00 0.00 H new ATOM 1899 N LEU A 126 2.966 -5.376 -15.108 1.00 0.00 N ATOM 1900 CA LEU A 126 3.269 -5.630 -13.698 1.00 0.00 C ATOM 1901 C LEU A 126 2.683 -4.535 -12.805 1.00 0.00 C ATOM 1902 O LEU A 126 2.022 -4.835 -11.817 1.00 0.00 O ATOM 1903 CB LEU A 126 4.797 -5.794 -13.528 1.00 0.00 C ATOM 1904 CG LEU A 126 5.348 -6.110 -12.118 1.00 0.00 C ATOM 1905 CD1 LEU A 126 5.471 -4.889 -11.205 1.00 0.00 C ATOM 1906 CD2 LEU A 126 4.548 -7.196 -11.400 1.00 0.00 C ATOM 0 H LEU A 126 3.794 -5.198 -15.677 1.00 0.00 H new ATOM 0 HA LEU A 126 2.797 -6.559 -13.379 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.123 -6.590 -14.198 1.00 0.00 H new ATOM 0 HB3 LEU A 126 5.270 -4.874 -13.872 1.00 0.00 H new ATOM 0 HG LEU A 126 6.355 -6.478 -12.313 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.864 -5.197 -10.236 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.147 -4.163 -11.657 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.489 -4.435 -11.070 1.00 0.00 H new ATOM 0 HD21 LEU A 126 4.980 -7.376 -10.416 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.513 -6.872 -11.288 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.579 -8.116 -11.983 1.00 0.00 H new ATOM 1918 N ILE A 127 2.892 -3.262 -13.133 1.00 0.00 N ATOM 1919 CA ILE A 127 2.450 -2.176 -12.250 1.00 0.00 C ATOM 1920 C ILE A 127 0.922 -2.022 -12.295 1.00 0.00 C ATOM 1921 O ILE A 127 0.291 -1.908 -11.247 1.00 0.00 O ATOM 1922 CB ILE A 127 3.218 -0.883 -12.584 1.00 0.00 C ATOM 1923 CG1 ILE A 127 4.713 -1.090 -12.246 1.00 0.00 C ATOM 1924 CG2 ILE A 127 2.678 0.333 -11.809 1.00 0.00 C ATOM 1925 CD1 ILE A 127 5.651 -0.058 -12.880 1.00 0.00 C ATOM 0 H ILE A 127 3.356 -2.956 -13.988 1.00 0.00 H new ATOM 0 HA ILE A 127 2.688 -2.420 -11.215 1.00 0.00 H new ATOM 0 HB ILE A 127 3.085 -0.676 -13.646 1.00 0.00 H new ATOM 0 HG12 ILE A 127 4.836 -1.059 -11.163 1.00 0.00 H new ATOM 0 HG13 ILE A 127 5.013 -2.086 -12.573 1.00 0.00 H new ATOM 0 HG21 ILE A 127 3.251 1.220 -12.078 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.629 0.489 -12.061 1.00 0.00 H new ATOM 0 HG23 ILE A 127 2.771 0.152 -10.738 1.00 0.00 H new ATOM 0 HD11 ILE A 127 6.680 -0.276 -12.592 1.00 0.00 H new ATOM 0 HD12 ILE A 127 5.561 -0.102 -13.965 1.00 0.00 H new ATOM 0 HD13 ILE A 127 5.381 0.940 -12.534 1.00 0.00 H new ATOM 1937 N ALA A 128 0.311 -2.126 -13.479 1.00 0.00 N ATOM 1938 CA ALA A 128 -1.136 -1.995 -13.659 1.00 0.00 C ATOM 1939 C ALA A 128 -1.956 -3.086 -12.942 1.00 0.00 C ATOM 1940 O ALA A 128 -3.106 -2.838 -12.568 1.00 0.00 O ATOM 1941 CB ALA A 128 -1.431 -1.973 -15.165 1.00 0.00 C ATOM 0 H ALA A 128 0.814 -2.305 -14.348 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.451 -1.062 -13.191 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.505 -1.876 -15.324 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.918 -1.128 -15.624 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -1.080 -2.900 -15.618 1.00 0.00 H new ATOM 1947 N LYS A 129 -1.371 -4.277 -12.711 1.00 0.00 N ATOM 1948 CA LYS A 129 -2.010 -5.361 -11.940 1.00 0.00 C ATOM 1949 C LYS A 129 -1.806 -5.267 -10.418 1.00 0.00 C ATOM 1950 O LYS A 129 -2.531 -5.951 -9.692 1.00 0.00 O ATOM 1951 CB LYS A 129 -1.653 -6.750 -12.516 1.00 0.00 C ATOM 1952 CG LYS A 129 -0.255 -7.255 -12.145 1.00 0.00 C ATOM 1953 CD LYS A 129 0.020 -8.634 -12.755 1.00 0.00 C ATOM 1954 CE LYS A 129 1.434 -9.098 -12.377 1.00 0.00 C ATOM 1955 NZ LYS A 129 1.664 -10.512 -12.784 1.00 0.00 N ATOM 0 H LYS A 129 -0.440 -4.515 -13.054 1.00 0.00 H new ATOM 0 HA LYS A 129 -3.084 -5.222 -12.067 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -2.390 -7.473 -12.168 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -1.734 -6.710 -13.602 1.00 0.00 H new ATOM 0 HG2 LYS A 129 0.495 -6.545 -12.494 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -0.162 -7.310 -11.060 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -0.716 -9.353 -12.397 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -0.080 -8.588 -13.839 1.00 0.00 H new ATOM 0 HE2 LYS A 129 2.171 -8.454 -12.857 1.00 0.00 H new ATOM 0 HE3 LYS A 129 1.577 -8.999 -11.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 2.469 -10.900 -12.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 0.813 -11.074 -12.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 1.871 -10.551 -13.803 1.00 0.00 H new ATOM 1969 N ILE A 130 -0.865 -4.439 -9.927 1.00 0.00 N ATOM 1970 CA ILE A 130 -0.597 -4.299 -8.475 1.00 0.00 C ATOM 1971 C ILE A 130 -1.004 -2.936 -7.885 1.00 0.00 C ATOM 1972 O ILE A 130 -1.261 -2.868 -6.681 1.00 0.00 O ATOM 1973 CB ILE A 130 0.849 -4.705 -8.090 1.00 0.00 C ATOM 1974 CG1 ILE A 130 1.910 -3.632 -8.419 1.00 0.00 C ATOM 1975 CG2 ILE A 130 1.206 -6.070 -8.703 1.00 0.00 C ATOM 1976 CD1 ILE A 130 3.328 -3.975 -7.938 1.00 0.00 C ATOM 0 H ILE A 130 -0.273 -3.852 -10.514 1.00 0.00 H new ATOM 0 HA ILE A 130 -1.262 -5.021 -8.001 1.00 0.00 H new ATOM 0 HB ILE A 130 0.866 -4.793 -7.004 1.00 0.00 H new ATOM 0 HG12 ILE A 130 1.932 -3.479 -9.498 1.00 0.00 H new ATOM 0 HG13 ILE A 130 1.605 -2.687 -7.969 1.00 0.00 H new ATOM 0 HG21 ILE A 130 2.224 -6.340 -8.423 1.00 0.00 H new ATOM 0 HG22 ILE A 130 0.515 -6.827 -8.332 1.00 0.00 H new ATOM 0 HG23 ILE A 130 1.132 -6.012 -9.789 1.00 0.00 H new ATOM 0 HD11 ILE A 130 4.009 -3.169 -8.210 1.00 0.00 H new ATOM 0 HD12 ILE A 130 3.325 -4.098 -6.855 1.00 0.00 H new ATOM 0 HD13 ILE A 130 3.657 -4.902 -8.407 1.00 0.00 H new ATOM 1988 N SER A 131 -1.085 -1.876 -8.701 1.00 0.00 N ATOM 1989 CA SER A 131 -1.449 -0.503 -8.294 1.00 0.00 C ATOM 1990 C SER A 131 -2.485 0.125 -9.243 1.00 0.00 C ATOM 1991 O SER A 131 -2.113 0.913 -10.146 1.00 0.00 O ATOM 1992 CB SER A 131 -0.200 0.365 -8.183 1.00 0.00 C ATOM 1993 OG SER A 131 0.585 -0.076 -7.084 1.00 0.00 O ATOM 1994 OXT SER A 131 -3.692 -0.158 -9.056 1.00 0.00 O ATOM 0 H SER A 131 -0.893 -1.949 -9.700 1.00 0.00 H new ATOM 0 HA SER A 131 -1.919 -0.561 -7.312 1.00 0.00 H new ATOM 0 HB2 SER A 131 0.379 0.307 -9.104 1.00 0.00 H new ATOM 0 HB3 SER A 131 -0.480 1.410 -8.048 1.00 0.00 H new ATOM 0 HG SER A 131 1.177 0.649 -6.793 1.00 0.00 H new TER 2000 SER A 131