USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1071 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 52 CYS SG : rot 170:sc= 0 USER MOD Set 1.2: A 54 TYR OH : rot 49:sc= 0.126 USER MOD Set 1.3: A 66 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 49 CYS SG : rot 15:sc= 1.11 USER MOD Set 2.2: A 55 SER OG : rot 180:sc= -0.0156 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0.288 X(o=0.29,f=-0.13) USER MOD Single : A 12 ASN : amide:sc= 0.301 K(o=0.3,f=-2!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 72:sc= 0.933 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 176:sc= 0.304 (180deg=0.281) USER MOD Single : A 33 ASN : amide:sc= 0.547 K(o=0.55,f=-7.1!) USER MOD Single : A 38 ASN : amide:sc= -0.112 K(o=-0.11,f=-0.91) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= -0.0201 USER MOD Single : A 45 ASN : amide:sc= 0.327 K(o=0.33,f=-3.6!) USER MOD Single : A 60 MET CE :methyl 175:sc= 0 (180deg=-0.0303) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 CYS SG : rot 170:sc= -0.118 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00102 USER MOD Single : A 70 HIS : no HE2:sc= 0.694 K(o=0.69,f=-2.8!) USER MOD Single : A 74 THR OG1 : rot -91:sc= 1.16 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 84 GLN : amide:sc= -0.0382 X(o=-0.038,f=-0.038) USER MOD Single : A 93 LYS NZ :NH3+ -171:sc= 1.21 (180deg=1.13) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.009) USER MOD Single : A 104 SER OG : rot -160:sc= 0 USER MOD Single : A 105 CYS SG : rot 25:sc= 0.00298 USER MOD Single : A 108 CYS SG : rot -170:sc= 0.489 USER MOD Single : A 116 LYS NZ :NH3+ -123:sc= 0.196 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= 0.202 K(o=0.2,f=-3.5!) USER MOD Single : A 124 MET CE :methyl -153:sc= -0.0464 (180deg=-0.434) USER MOD Single : A 128 ASN : amide:sc= 1.01 K(o=1,f=-0.43) USER MOD Single : A 133 MET CE :methyl -145:sc= 0 (180deg=-0.0461) USER MOD Single : A 135 LYS NZ :NH3+ 178:sc= 0.986 (180deg=0.981) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.201 45.496 15.722 1.00 0.00 N ATOM 2 CA MET A 1 15.178 45.075 17.157 1.00 0.00 C ATOM 3 C MET A 1 15.817 43.682 17.324 1.00 0.00 C ATOM 4 O MET A 1 15.427 42.765 16.593 1.00 0.00 O ATOM 5 CB MET A 1 13.746 45.057 17.750 1.00 0.00 C ATOM 6 CG MET A 1 13.073 46.436 17.843 1.00 0.00 C ATOM 7 SD MET A 1 13.940 47.652 18.876 1.00 0.00 S ATOM 8 CE MET A 1 12.760 49.027 18.772 1.00 0.00 C ATOM 0 H1 MET A 1 14.767 46.436 15.629 1.00 0.00 H new ATOM 0 H2 MET A 1 16.185 45.535 15.387 1.00 0.00 H new ATOM 0 H3 MET A 1 14.668 44.810 15.150 1.00 0.00 H new ATOM 0 HA MET A 1 15.757 45.818 17.706 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.123 44.404 17.139 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.786 44.619 18.747 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.974 46.843 16.837 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.064 46.304 18.234 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.132 49.871 19.354 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.642 49.328 17.731 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.796 48.710 19.169 1.00 0.00 H new ATOM 18 N PRO A 2 16.773 43.493 18.261 1.00 0.00 N ATOM 19 CA PRO A 2 17.411 42.196 18.503 1.00 0.00 C ATOM 20 C PRO A 2 16.473 41.256 19.279 1.00 0.00 C ATOM 21 O PRO A 2 15.915 41.643 20.306 1.00 0.00 O ATOM 22 CB PRO A 2 18.690 42.513 19.288 1.00 0.00 C ATOM 23 CG PRO A 2 18.328 43.780 20.064 1.00 0.00 C ATOM 24 CD PRO A 2 17.372 44.514 19.121 1.00 0.00 C ATOM 0 HA PRO A 2 17.641 41.672 17.575 1.00 0.00 H new ATOM 0 HB2 PRO A 2 18.963 41.697 19.957 1.00 0.00 H new ATOM 0 HB3 PRO A 2 19.538 42.678 18.624 1.00 0.00 H new ATOM 0 HG2 PRO A 2 17.852 43.546 21.016 1.00 0.00 H new ATOM 0 HG3 PRO A 2 19.210 44.380 20.288 1.00 0.00 H new ATOM 0 HD2 PRO A 2 16.605 45.047 19.683 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.906 45.257 18.528 1.00 0.00 H new ATOM 32 N VAL A 3 16.318 40.016 18.798 1.00 0.00 N ATOM 33 CA VAL A 3 15.447 38.970 19.382 1.00 0.00 C ATOM 34 C VAL A 3 15.742 37.596 18.751 1.00 0.00 C ATOM 35 O VAL A 3 16.137 37.525 17.586 1.00 0.00 O ATOM 36 CB VAL A 3 13.940 39.349 19.280 1.00 0.00 C ATOM 37 CG1 VAL A 3 13.396 39.311 17.841 1.00 0.00 C ATOM 38 CG2 VAL A 3 13.060 38.480 20.193 1.00 0.00 C ATOM 0 H VAL A 3 16.809 39.695 17.963 1.00 0.00 H new ATOM 0 HA VAL A 3 15.677 38.900 20.445 1.00 0.00 H new ATOM 0 HB VAL A 3 13.888 40.383 19.622 1.00 0.00 H new ATOM 0 HG11 VAL A 3 12.341 39.585 17.843 1.00 0.00 H new ATOM 0 HG12 VAL A 3 13.953 40.015 17.223 1.00 0.00 H new ATOM 0 HG13 VAL A 3 13.508 38.305 17.436 1.00 0.00 H new ATOM 0 HG21 VAL A 3 12.018 38.781 20.088 1.00 0.00 H new ATOM 0 HG22 VAL A 3 13.165 37.433 19.910 1.00 0.00 H new ATOM 0 HG23 VAL A 3 13.372 38.609 21.229 1.00 0.00 H new ATOM 48 N ARG A 4 15.565 36.510 19.514 1.00 0.00 N ATOM 49 CA ARG A 4 15.673 35.122 19.031 1.00 0.00 C ATOM 50 C ARG A 4 14.313 34.595 18.539 1.00 0.00 C ATOM 51 O ARG A 4 13.286 34.797 19.192 1.00 0.00 O ATOM 52 CB ARG A 4 16.238 34.213 20.141 1.00 0.00 C ATOM 53 CG ARG A 4 17.656 34.568 20.634 1.00 0.00 C ATOM 54 CD ARG A 4 18.774 34.350 19.601 1.00 0.00 C ATOM 55 NE ARG A 4 18.825 35.422 18.589 1.00 0.00 N ATOM 56 CZ ARG A 4 19.418 35.362 17.400 1.00 0.00 C ATOM 57 NH1 ARG A 4 20.097 34.302 17.010 1.00 0.00 N ATOM 58 NH2 ARG A 4 19.332 36.383 16.576 1.00 0.00 N ATOM 0 H ARG A 4 15.338 36.570 20.507 1.00 0.00 H new ATOM 0 HA ARG A 4 16.360 35.110 18.184 1.00 0.00 H new ATOM 0 HB2 ARG A 4 15.558 34.244 20.992 1.00 0.00 H new ATOM 0 HB3 ARG A 4 16.246 33.186 19.776 1.00 0.00 H new ATOM 0 HG2 ARG A 4 17.666 35.613 20.944 1.00 0.00 H new ATOM 0 HG3 ARG A 4 17.877 33.971 21.519 1.00 0.00 H new ATOM 0 HD2 ARG A 4 19.733 34.294 20.115 1.00 0.00 H new ATOM 0 HD3 ARG A 4 18.623 33.392 19.104 1.00 0.00 H new ATOM 0 HE ARG A 4 18.358 36.298 18.825 1.00 0.00 H new ATOM 0 HH11 ARG A 4 20.180 33.494 17.627 1.00 0.00 H new ATOM 0 HH12 ARG A 4 20.540 34.289 16.091 1.00 0.00 H new ATOM 0 HH21 ARG A 4 18.812 37.217 16.850 1.00 0.00 H new ATOM 0 HH22 ARG A 4 19.785 36.341 15.663 1.00 0.00 H new ATOM 72 N ARG A 5 14.317 33.919 17.385 1.00 0.00 N ATOM 73 CA ARG A 5 13.120 33.418 16.683 1.00 0.00 C ATOM 74 C ARG A 5 12.894 31.913 16.919 1.00 0.00 C ATOM 75 O ARG A 5 13.846 31.160 17.152 1.00 0.00 O ATOM 76 CB ARG A 5 13.238 33.723 15.178 1.00 0.00 C ATOM 77 CG ARG A 5 13.267 35.237 14.903 1.00 0.00 C ATOM 78 CD ARG A 5 13.375 35.536 13.404 1.00 0.00 C ATOM 79 NE ARG A 5 13.420 36.990 13.159 1.00 0.00 N ATOM 80 CZ ARG A 5 13.638 37.590 11.994 1.00 0.00 C ATOM 81 NH1 ARG A 5 13.837 36.910 10.883 1.00 0.00 N ATOM 82 NH2 ARG A 5 13.658 38.905 11.931 1.00 0.00 N ATOM 0 H ARG A 5 15.182 33.695 16.893 1.00 0.00 H new ATOM 0 HA ARG A 5 12.251 33.934 17.091 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.145 33.264 14.784 1.00 0.00 H new ATOM 0 HB3 ARG A 5 12.398 33.273 14.649 1.00 0.00 H new ATOM 0 HG2 ARG A 5 12.363 35.697 15.302 1.00 0.00 H new ATOM 0 HG3 ARG A 5 14.111 35.686 15.426 1.00 0.00 H new ATOM 0 HD2 ARG A 5 14.272 35.067 12.999 1.00 0.00 H new ATOM 0 HD3 ARG A 5 12.524 35.101 12.880 1.00 0.00 H new ATOM 0 HE ARG A 5 13.268 37.596 13.965 1.00 0.00 H new ATOM 0 HH11 ARG A 5 13.827 35.890 10.900 1.00 0.00 H new ATOM 0 HH12 ARG A 5 14.001 37.403 10.006 1.00 0.00 H new ATOM 0 HH21 ARG A 5 13.507 39.458 12.774 1.00 0.00 H new ATOM 0 HH22 ARG A 5 13.825 39.370 11.039 1.00 0.00 H new ATOM 96 N GLY A 6 11.630 31.480 16.836 1.00 0.00 N ATOM 97 CA GLY A 6 11.196 30.076 16.935 1.00 0.00 C ATOM 98 C GLY A 6 11.159 29.371 15.574 1.00 0.00 C ATOM 99 O GLY A 6 11.888 29.737 14.649 1.00 0.00 O ATOM 0 H GLY A 6 10.849 32.121 16.693 1.00 0.00 H new ATOM 0 HA2 GLY A 6 11.871 29.537 17.600 1.00 0.00 H new ATOM 0 HA3 GLY A 6 10.205 30.037 17.387 1.00 0.00 H new ATOM 103 N HIS A 7 10.310 28.350 15.445 1.00 0.00 N ATOM 104 CA HIS A 7 10.088 27.631 14.181 1.00 0.00 C ATOM 105 C HIS A 7 9.433 28.545 13.113 1.00 0.00 C ATOM 106 O HIS A 7 8.516 29.311 13.429 1.00 0.00 O ATOM 107 CB HIS A 7 9.223 26.385 14.445 1.00 0.00 C ATOM 108 CG HIS A 7 9.820 25.413 15.436 1.00 0.00 C ATOM 109 ND1 HIS A 7 9.292 25.063 16.659 1.00 0.00 N ATOM 110 CD2 HIS A 7 10.981 24.699 15.283 1.00 0.00 C ATOM 111 CE1 HIS A 7 10.115 24.167 17.230 1.00 0.00 C ATOM 112 NE2 HIS A 7 11.166 23.910 16.427 1.00 0.00 N ATOM 0 H HIS A 7 9.750 27.993 16.219 1.00 0.00 H new ATOM 0 HA HIS A 7 11.054 27.319 13.784 1.00 0.00 H new ATOM 0 HB2 HIS A 7 8.247 26.705 14.810 1.00 0.00 H new ATOM 0 HB3 HIS A 7 9.055 25.867 13.501 1.00 0.00 H new ATOM 0 HD2 HIS A 7 11.640 24.738 14.428 1.00 0.00 H new ATOM 0 HE1 HIS A 7 9.956 23.716 18.198 1.00 0.00 H new ATOM 0 HE2 HIS A 7 11.939 23.271 16.614 1.00 0.00 H new ATOM 120 N VAL A 8 9.881 28.466 11.849 1.00 0.00 N ATOM 121 CA VAL A 8 9.464 29.413 10.787 1.00 0.00 C ATOM 122 C VAL A 8 7.997 29.243 10.346 1.00 0.00 C ATOM 123 O VAL A 8 7.350 30.243 10.028 1.00 0.00 O ATOM 124 CB VAL A 8 10.430 29.366 9.574 1.00 0.00 C ATOM 125 CG1 VAL A 8 10.354 28.059 8.763 1.00 0.00 C ATOM 126 CG2 VAL A 8 10.237 30.568 8.635 1.00 0.00 C ATOM 0 H VAL A 8 10.537 27.753 11.531 1.00 0.00 H new ATOM 0 HA VAL A 8 9.525 30.405 11.235 1.00 0.00 H new ATOM 0 HB VAL A 8 11.425 29.412 10.017 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.059 28.104 7.933 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.605 27.216 9.407 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.344 27.930 8.374 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.934 30.493 7.800 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.215 30.573 8.255 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.425 31.491 9.183 1.00 0.00 H new ATOM 136 N ALA A 9 7.483 27.999 10.342 1.00 0.00 N ATOM 137 CA ALA A 9 6.135 27.590 9.893 1.00 0.00 C ATOM 138 C ALA A 9 5.898 27.809 8.371 1.00 0.00 C ATOM 139 O ALA A 9 6.599 28.618 7.752 1.00 0.00 O ATOM 140 CB ALA A 9 5.072 28.284 10.769 1.00 0.00 C ATOM 0 H ALA A 9 8.029 27.203 10.672 1.00 0.00 H new ATOM 0 HA ALA A 9 6.048 26.512 10.026 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.077 27.984 10.440 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.213 27.994 11.810 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.174 29.365 10.677 1.00 0.00 H new ATOM 146 N PRO A 10 4.918 27.125 7.741 1.00 0.00 N ATOM 147 CA PRO A 10 4.530 27.400 6.360 1.00 0.00 C ATOM 148 C PRO A 10 3.730 28.709 6.276 1.00 0.00 C ATOM 149 O PRO A 10 2.712 28.872 6.951 1.00 0.00 O ATOM 150 CB PRO A 10 3.711 26.185 5.911 1.00 0.00 C ATOM 151 CG PRO A 10 3.101 25.661 7.212 1.00 0.00 C ATOM 152 CD PRO A 10 4.167 25.985 8.260 1.00 0.00 C ATOM 0 HA PRO A 10 5.392 27.541 5.707 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.941 26.464 5.191 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.338 25.434 5.431 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.154 26.151 7.438 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.901 24.591 7.160 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.709 26.225 9.219 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.823 25.130 8.425 1.00 0.00 H new ATOM 160 N GLN A 11 4.180 29.638 5.423 1.00 0.00 N ATOM 161 CA GLN A 11 3.415 30.836 5.050 1.00 0.00 C ATOM 162 C GLN A 11 2.515 30.524 3.856 1.00 0.00 C ATOM 163 O GLN A 11 1.287 30.597 3.927 1.00 0.00 O ATOM 164 CB GLN A 11 4.357 31.987 4.648 1.00 0.00 C ATOM 165 CG GLN A 11 5.003 32.733 5.829 1.00 0.00 C ATOM 166 CD GLN A 11 6.018 31.890 6.605 1.00 0.00 C ATOM 167 OE1 GLN A 11 7.086 31.547 6.110 1.00 0.00 O ATOM 168 NE2 GLN A 11 5.733 31.519 7.837 1.00 0.00 N ATOM 0 H GLN A 11 5.091 29.580 4.969 1.00 0.00 H new ATOM 0 HA GLN A 11 2.821 31.134 5.914 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.147 31.586 4.013 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.797 32.703 4.046 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.498 33.629 5.455 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.220 33.063 6.512 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.848 31.797 8.262 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.397 30.954 8.366 1.00 0.00 H new ATOM 177 N ASN A 12 3.166 30.203 2.741 1.00 0.00 N ATOM 178 CA ASN A 12 2.574 29.968 1.443 1.00 0.00 C ATOM 179 C ASN A 12 2.116 28.510 1.311 1.00 0.00 C ATOM 180 O ASN A 12 2.713 27.579 1.862 1.00 0.00 O ATOM 181 CB ASN A 12 3.579 30.393 0.356 1.00 0.00 C ATOM 182 CG ASN A 12 4.937 29.701 0.486 1.00 0.00 C ATOM 183 OD1 ASN A 12 5.726 29.999 1.375 1.00 0.00 O ATOM 184 ND2 ASN A 12 5.245 28.743 -0.366 1.00 0.00 N ATOM 0 H ASN A 12 4.180 30.096 2.727 1.00 0.00 H new ATOM 0 HA ASN A 12 1.675 30.571 1.318 1.00 0.00 H new ATOM 0 HB2 ASN A 12 3.158 30.172 -0.625 1.00 0.00 H new ATOM 0 HB3 ASN A 12 3.722 31.472 0.405 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.136 28.254 -0.283 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.592 28.491 -1.108 1.00 0.00 H new ATOM 191 N THR A 13 1.037 28.350 0.548 1.00 0.00 N ATOM 192 CA THR A 13 0.318 27.082 0.299 1.00 0.00 C ATOM 193 C THR A 13 0.065 26.860 -1.188 1.00 0.00 C ATOM 194 O THR A 13 0.432 25.814 -1.718 1.00 0.00 O ATOM 195 CB THR A 13 -1.003 27.047 1.083 1.00 0.00 C ATOM 196 OG1 THR A 13 -1.740 28.228 0.827 1.00 0.00 O ATOM 197 CG2 THR A 13 -0.749 26.950 2.590 1.00 0.00 C ATOM 0 H THR A 13 0.611 29.136 0.057 1.00 0.00 H new ATOM 0 HA THR A 13 0.954 26.269 0.649 1.00 0.00 H new ATOM 0 HB THR A 13 -1.562 26.169 0.759 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.583 28.203 1.327 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.702 26.927 3.119 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.191 26.039 2.807 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.173 27.815 2.918 1.00 0.00 H new ATOM 205 N PHE A 14 -0.472 27.862 -1.889 1.00 0.00 N ATOM 206 CA PHE A 14 -0.710 27.805 -3.335 1.00 0.00 C ATOM 207 C PHE A 14 0.604 27.709 -4.121 1.00 0.00 C ATOM 208 O PHE A 14 0.723 26.898 -5.038 1.00 0.00 O ATOM 209 CB PHE A 14 -1.510 29.043 -3.756 1.00 0.00 C ATOM 210 CG PHE A 14 -2.316 28.837 -5.026 1.00 0.00 C ATOM 211 CD1 PHE A 14 -1.710 28.985 -6.289 1.00 0.00 C ATOM 212 CD2 PHE A 14 -3.674 28.470 -4.943 1.00 0.00 C ATOM 213 CE1 PHE A 14 -2.461 28.772 -7.460 1.00 0.00 C ATOM 214 CE2 PHE A 14 -4.423 28.260 -6.114 1.00 0.00 C ATOM 215 CZ PHE A 14 -3.817 28.410 -7.373 1.00 0.00 C ATOM 0 H PHE A 14 -0.757 28.745 -1.465 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.281 26.905 -3.564 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -2.185 29.322 -2.947 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.824 29.878 -3.901 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.668 29.262 -6.359 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.141 28.350 -3.977 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.995 28.887 -8.427 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.465 27.983 -6.046 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.392 28.247 -8.273 1.00 0.00 H new ATOM 225 N LEU A 15 1.610 28.500 -3.719 1.00 0.00 N ATOM 226 CA LEU A 15 2.970 28.421 -4.262 1.00 0.00 C ATOM 227 C LEU A 15 3.675 27.146 -3.794 1.00 0.00 C ATOM 228 O LEU A 15 4.331 26.490 -4.593 1.00 0.00 O ATOM 229 CB LEU A 15 3.744 29.699 -3.882 1.00 0.00 C ATOM 230 CG LEU A 15 5.227 29.689 -4.313 1.00 0.00 C ATOM 231 CD1 LEU A 15 5.394 29.622 -5.839 1.00 0.00 C ATOM 232 CD2 LEU A 15 5.923 30.947 -3.775 1.00 0.00 C ATOM 0 H LEU A 15 1.499 29.217 -3.002 1.00 0.00 H new ATOM 0 HA LEU A 15 2.928 28.362 -5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.251 30.558 -4.336 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.691 29.835 -2.802 1.00 0.00 H new ATOM 0 HG LEU A 15 5.684 28.791 -3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.455 29.617 -6.089 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.928 28.712 -6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.917 30.489 -6.296 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.970 30.941 -4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.433 31.834 -4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.861 30.960 -2.687 1.00 0.00 H new ATOM 244 N ASP A 16 3.496 26.740 -2.533 1.00 0.00 N ATOM 245 CA ASP A 16 4.098 25.498 -2.008 1.00 0.00 C ATOM 246 C ASP A 16 3.648 24.243 -2.771 1.00 0.00 C ATOM 247 O ASP A 16 4.402 23.279 -2.891 1.00 0.00 O ATOM 248 CB ASP A 16 3.741 25.365 -0.528 1.00 0.00 C ATOM 249 CG ASP A 16 4.585 24.291 0.177 1.00 0.00 C ATOM 250 OD1 ASP A 16 5.807 24.510 0.355 1.00 0.00 O ATOM 251 OD2 ASP A 16 4.021 23.241 0.565 1.00 0.00 O ATOM 0 H ASP A 16 2.938 27.252 -1.850 1.00 0.00 H new ATOM 0 HA ASP A 16 5.177 25.571 -2.142 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.889 26.324 -0.032 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.684 25.116 -0.432 1.00 0.00 H new ATOM 256 N THR A 17 2.448 24.302 -3.357 1.00 0.00 N ATOM 257 CA THR A 17 1.885 23.253 -4.226 1.00 0.00 C ATOM 258 C THR A 17 2.629 23.166 -5.560 1.00 0.00 C ATOM 259 O THR A 17 2.655 22.104 -6.171 1.00 0.00 O ATOM 260 CB THR A 17 0.379 23.491 -4.424 1.00 0.00 C ATOM 261 OG1 THR A 17 -0.259 23.463 -3.164 1.00 0.00 O ATOM 262 CG2 THR A 17 -0.303 22.415 -5.276 1.00 0.00 C ATOM 0 H THR A 17 1.822 25.099 -3.240 1.00 0.00 H new ATOM 0 HA THR A 17 2.018 22.288 -3.736 1.00 0.00 H new ATOM 0 HB THR A 17 0.288 24.451 -4.933 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.023 24.270 -2.660 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.364 22.647 -5.374 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.156 22.389 -6.264 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.187 21.443 -4.796 1.00 0.00 H new ATOM 270 N ILE A 18 3.294 24.238 -6.002 1.00 0.00 N ATOM 271 CA ILE A 18 4.106 24.253 -7.233 1.00 0.00 C ATOM 272 C ILE A 18 5.434 23.544 -6.985 1.00 0.00 C ATOM 273 O ILE A 18 5.879 22.752 -7.812 1.00 0.00 O ATOM 274 CB ILE A 18 4.318 25.705 -7.732 1.00 0.00 C ATOM 275 CG1 ILE A 18 3.014 26.537 -7.749 1.00 0.00 C ATOM 276 CG2 ILE A 18 4.986 25.713 -9.120 1.00 0.00 C ATOM 277 CD1 ILE A 18 1.880 25.988 -8.622 1.00 0.00 C ATOM 0 H ILE A 18 3.286 25.133 -5.512 1.00 0.00 H new ATOM 0 HA ILE A 18 3.575 23.716 -8.019 1.00 0.00 H new ATOM 0 HB ILE A 18 4.983 26.184 -7.014 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.649 26.625 -6.726 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.253 27.544 -8.089 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.125 26.742 -9.451 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.955 25.217 -9.060 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.351 25.186 -9.832 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.017 26.651 -8.557 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.215 25.928 -9.658 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.601 24.994 -8.273 1.00 0.00 H new ATOM 289 N ILE A 19 6.021 23.724 -5.799 1.00 0.00 N ATOM 290 CA ILE A 19 7.224 22.990 -5.377 1.00 0.00 C ATOM 291 C ILE A 19 6.981 21.471 -5.412 1.00 0.00 C ATOM 292 O ILE A 19 7.882 20.731 -5.797 1.00 0.00 O ATOM 293 CB ILE A 19 7.722 23.503 -4.001 1.00 0.00 C ATOM 294 CG1 ILE A 19 8.392 24.897 -4.094 1.00 0.00 C ATOM 295 CG2 ILE A 19 8.760 22.539 -3.388 1.00 0.00 C ATOM 296 CD1 ILE A 19 7.494 26.096 -4.412 1.00 0.00 C ATOM 0 H ILE A 19 5.677 24.383 -5.101 1.00 0.00 H new ATOM 0 HA ILE A 19 8.028 23.183 -6.087 1.00 0.00 H new ATOM 0 HB ILE A 19 6.831 23.566 -3.376 1.00 0.00 H new ATOM 0 HG12 ILE A 19 8.891 25.094 -3.145 1.00 0.00 H new ATOM 0 HG13 ILE A 19 9.168 24.846 -4.858 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.091 22.925 -2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.307 21.557 -3.250 1.00 0.00 H new ATOM 0 HG23 ILE A 19 9.616 22.453 -4.057 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.097 27.003 -4.446 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.013 25.944 -5.378 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.732 26.195 -3.639 1.00 0.00 H new ATOM 308 N ARG A 20 5.765 20.992 -5.122 1.00 0.00 N ATOM 309 CA ARG A 20 5.438 19.552 -5.185 1.00 0.00 C ATOM 310 C ARG A 20 5.409 18.996 -6.619 1.00 0.00 C ATOM 311 O ARG A 20 5.522 17.786 -6.807 1.00 0.00 O ATOM 312 CB ARG A 20 4.103 19.267 -4.484 1.00 0.00 C ATOM 313 CG ARG A 20 4.119 19.682 -3.005 1.00 0.00 C ATOM 314 CD ARG A 20 2.861 19.211 -2.255 1.00 0.00 C ATOM 315 NE ARG A 20 2.941 17.804 -1.811 1.00 0.00 N ATOM 316 CZ ARG A 20 3.638 17.335 -0.779 1.00 0.00 C ATOM 317 NH1 ARG A 20 4.439 18.111 -0.073 1.00 0.00 N ATOM 318 NH2 ARG A 20 3.533 16.067 -0.443 1.00 0.00 N ATOM 0 H ARG A 20 4.982 21.581 -4.839 1.00 0.00 H new ATOM 0 HA ARG A 20 6.244 19.036 -4.663 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.304 19.800 -5.000 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.877 18.203 -4.558 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.004 19.267 -2.523 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.197 20.767 -2.935 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.703 19.851 -1.387 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.993 19.332 -2.903 1.00 0.00 H new ATOM 0 HE ARG A 20 2.407 17.123 -2.351 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.536 19.097 -0.314 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.961 17.724 0.713 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.919 15.448 -0.973 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.065 15.703 0.347 1.00 0.00 H new ATOM 332 N LYS A 21 5.285 19.855 -7.633 1.00 0.00 N ATOM 333 CA LYS A 21 5.380 19.500 -9.062 1.00 0.00 C ATOM 334 C LYS A 21 6.837 19.555 -9.549 1.00 0.00 C ATOM 335 O LYS A 21 7.281 18.699 -10.317 1.00 0.00 O ATOM 336 CB LYS A 21 4.529 20.488 -9.880 1.00 0.00 C ATOM 337 CG LYS A 21 3.080 20.565 -9.397 1.00 0.00 C ATOM 338 CD LYS A 21 2.348 21.700 -10.111 1.00 0.00 C ATOM 339 CE LYS A 21 1.041 21.909 -9.354 1.00 0.00 C ATOM 340 NZ LYS A 21 0.099 22.803 -10.081 1.00 0.00 N ATOM 0 H LYS A 21 5.110 20.849 -7.484 1.00 0.00 H new ATOM 0 HA LYS A 21 5.014 18.482 -9.195 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.978 21.479 -9.825 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.542 20.190 -10.928 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.574 19.619 -9.588 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.056 20.727 -8.319 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.947 22.610 -10.110 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.157 21.445 -11.153 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.564 20.944 -9.185 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.256 22.334 -8.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.773 22.913 -9.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.541 23.734 -10.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.130 22.387 -11.006 1.00 0.00 H new ATOM 354 N PHE A 22 7.578 20.557 -9.062 1.00 0.00 N ATOM 355 CA PHE A 22 9.017 20.737 -9.308 1.00 0.00 C ATOM 356 C PHE A 22 9.901 19.740 -8.526 1.00 0.00 C ATOM 357 O PHE A 22 11.052 19.528 -8.917 1.00 0.00 O ATOM 358 CB PHE A 22 9.406 22.197 -9.017 1.00 0.00 C ATOM 359 CG PHE A 22 9.170 23.146 -10.181 1.00 0.00 C ATOM 360 CD1 PHE A 22 7.863 23.534 -10.540 1.00 0.00 C ATOM 361 CD2 PHE A 22 10.263 23.635 -10.924 1.00 0.00 C ATOM 362 CE1 PHE A 22 7.653 24.407 -11.622 1.00 0.00 C ATOM 363 CE2 PHE A 22 10.052 24.507 -12.007 1.00 0.00 C ATOM 364 CZ PHE A 22 8.747 24.896 -12.355 1.00 0.00 C ATOM 0 H PHE A 22 7.184 21.287 -8.469 1.00 0.00 H new ATOM 0 HA PHE A 22 9.204 20.516 -10.359 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.838 22.548 -8.155 1.00 0.00 H new ATOM 0 HB3 PHE A 22 10.460 22.233 -8.741 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.019 23.159 -9.981 1.00 0.00 H new ATOM 0 HD2 PHE A 22 11.268 23.339 -10.660 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.649 24.702 -11.890 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.894 24.878 -12.572 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.586 25.569 -13.184 1.00 0.00 H new ATOM 374 N GLU A 23 9.381 19.110 -7.464 1.00 0.00 N ATOM 375 CA GLU A 23 10.031 18.025 -6.722 1.00 0.00 C ATOM 376 C GLU A 23 10.501 16.873 -7.635 1.00 0.00 C ATOM 377 O GLU A 23 9.853 16.528 -8.628 1.00 0.00 O ATOM 378 CB GLU A 23 9.077 17.471 -5.643 1.00 0.00 C ATOM 379 CG GLU A 23 9.369 18.006 -4.237 1.00 0.00 C ATOM 380 CD GLU A 23 8.434 17.406 -3.164 1.00 0.00 C ATOM 381 OE1 GLU A 23 7.788 16.357 -3.408 1.00 0.00 O ATOM 382 OE2 GLU A 23 8.359 17.984 -2.053 1.00 0.00 O ATOM 0 H GLU A 23 8.465 19.351 -7.086 1.00 0.00 H new ATOM 0 HA GLU A 23 10.918 18.453 -6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.051 17.722 -5.913 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.147 16.383 -5.631 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.404 17.784 -3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.266 19.091 -4.237 1.00 0.00 H new ATOM 389 N GLY A 24 11.607 16.220 -7.254 1.00 0.00 N ATOM 390 CA GLY A 24 12.236 15.114 -7.979 1.00 0.00 C ATOM 391 C GLY A 24 11.677 13.782 -7.502 1.00 0.00 C ATOM 392 O GLY A 24 12.445 12.908 -7.098 1.00 0.00 O ATOM 0 H GLY A 24 12.106 16.459 -6.397 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.062 15.226 -9.049 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.315 15.138 -7.827 1.00 0.00 H new ATOM 396 N GLN A 25 10.341 13.666 -7.515 1.00 0.00 N ATOM 397 CA GLN A 25 9.577 12.472 -7.134 1.00 0.00 C ATOM 398 C GLN A 25 9.832 12.080 -5.660 1.00 0.00 C ATOM 399 O GLN A 25 9.993 10.908 -5.323 1.00 0.00 O ATOM 400 CB GLN A 25 9.881 11.349 -8.142 1.00 0.00 C ATOM 401 CG GLN A 25 9.334 11.640 -9.550 1.00 0.00 C ATOM 402 CD GLN A 25 9.663 10.514 -10.534 1.00 0.00 C ATOM 403 OE1 GLN A 25 10.584 10.601 -11.339 1.00 0.00 O ATOM 404 NE2 GLN A 25 8.941 9.410 -10.508 1.00 0.00 N ATOM 0 H GLN A 25 9.738 14.436 -7.804 1.00 0.00 H new ATOM 0 HA GLN A 25 8.508 12.677 -7.181 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.960 11.203 -8.200 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.452 10.415 -7.778 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.253 11.774 -9.499 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.754 12.577 -9.916 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.171 9.320 -9.845 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.153 8.647 -11.151 1.00 0.00 H new ATOM 413 N SER A 26 9.884 13.069 -4.760 1.00 0.00 N ATOM 414 CA SER A 26 10.320 12.912 -3.356 1.00 0.00 C ATOM 415 C SER A 26 9.270 12.250 -2.434 1.00 0.00 C ATOM 416 O SER A 26 9.447 12.190 -1.210 1.00 0.00 O ATOM 417 CB SER A 26 10.743 14.281 -2.792 1.00 0.00 C ATOM 418 OG SER A 26 11.617 14.980 -3.680 1.00 0.00 O ATOM 0 H SER A 26 9.619 14.027 -4.988 1.00 0.00 H new ATOM 0 HA SER A 26 11.167 12.226 -3.372 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.856 14.886 -2.606 1.00 0.00 H new ATOM 0 HB3 SER A 26 11.239 14.140 -1.832 1.00 0.00 H new ATOM 0 HG SER A 26 11.861 15.844 -3.287 1.00 0.00 H new ATOM 424 N ARG A 27 8.163 11.754 -3.004 1.00 0.00 N ATOM 425 CA ARG A 27 7.115 11.010 -2.291 1.00 0.00 C ATOM 426 C ARG A 27 7.543 9.560 -1.988 1.00 0.00 C ATOM 427 O ARG A 27 8.712 9.193 -2.083 1.00 0.00 O ATOM 428 CB ARG A 27 5.790 11.033 -3.076 1.00 0.00 C ATOM 429 CG ARG A 27 5.406 12.340 -3.781 1.00 0.00 C ATOM 430 CD ARG A 27 5.374 13.588 -2.883 1.00 0.00 C ATOM 431 NE ARG A 27 4.334 14.502 -3.380 1.00 0.00 N ATOM 432 CZ ARG A 27 4.420 15.262 -4.462 1.00 0.00 C ATOM 433 NH1 ARG A 27 5.574 15.672 -4.934 1.00 0.00 N ATOM 434 NH2 ARG A 27 3.323 15.614 -5.094 1.00 0.00 N ATOM 0 H ARG A 27 7.967 11.862 -3.999 1.00 0.00 H new ATOM 0 HA ARG A 27 6.959 11.512 -1.336 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.831 10.245 -3.828 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.986 10.774 -2.387 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.111 12.516 -4.594 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.423 12.214 -4.234 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.166 13.305 -1.851 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.345 14.082 -2.889 1.00 0.00 H new ATOM 0 HE ARG A 27 3.468 14.556 -2.843 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.440 15.406 -4.465 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.605 16.256 -5.769 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.414 15.302 -4.751 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.380 16.199 -5.928 1.00 0.00 H new ATOM 448 N LYS A 28 6.582 8.730 -1.573 1.00 0.00 N ATOM 449 CA LYS A 28 6.797 7.356 -1.109 1.00 0.00 C ATOM 450 C LYS A 28 6.005 6.367 -1.977 1.00 0.00 C ATOM 451 O LYS A 28 4.856 6.633 -2.318 1.00 0.00 O ATOM 452 CB LYS A 28 6.385 7.274 0.372 1.00 0.00 C ATOM 453 CG LYS A 28 7.239 8.191 1.259 1.00 0.00 C ATOM 454 CD LYS A 28 6.621 9.572 1.480 1.00 0.00 C ATOM 455 CE LYS A 28 7.596 10.536 2.158 1.00 0.00 C ATOM 456 NZ LYS A 28 8.830 10.899 1.388 1.00 0.00 N ATOM 0 H LYS A 28 5.600 9.005 -1.550 1.00 0.00 H new ATOM 0 HA LYS A 28 7.849 7.085 -1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.335 7.549 0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.479 6.245 0.718 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.391 7.710 2.226 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.223 8.310 0.805 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.309 9.987 0.522 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.724 9.474 2.092 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.058 11.455 2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.904 10.097 3.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.375 11.607 1.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.412 10.049 1.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.559 11.293 0.464 1.00 0.00 H new ATOM 470 N PHE A 29 6.595 5.222 -2.320 1.00 0.00 N ATOM 471 CA PHE A 29 5.978 4.217 -3.191 1.00 0.00 C ATOM 472 C PHE A 29 6.684 2.860 -3.141 1.00 0.00 C ATOM 473 O PHE A 29 7.884 2.772 -2.876 1.00 0.00 O ATOM 474 CB PHE A 29 5.863 4.746 -4.635 1.00 0.00 C ATOM 475 CG PHE A 29 7.103 5.440 -5.172 1.00 0.00 C ATOM 476 CD1 PHE A 29 8.196 4.683 -5.637 1.00 0.00 C ATOM 477 CD2 PHE A 29 7.175 6.849 -5.186 1.00 0.00 C ATOM 478 CE1 PHE A 29 9.352 5.328 -6.112 1.00 0.00 C ATOM 479 CE2 PHE A 29 8.331 7.492 -5.659 1.00 0.00 C ATOM 480 CZ PHE A 29 9.419 6.732 -6.125 1.00 0.00 C ATOM 0 H PHE A 29 7.527 4.961 -1.998 1.00 0.00 H new ATOM 0 HA PHE A 29 4.974 4.041 -2.806 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.621 3.911 -5.292 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.027 5.443 -4.684 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.146 3.604 -5.629 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.339 7.435 -4.832 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.189 4.744 -6.467 1.00 0.00 H new ATOM 0 HE2 PHE A 29 8.384 8.571 -5.665 1.00 0.00 H new ATOM 0 HZ PHE A 29 10.306 7.227 -6.493 1.00 0.00 H new ATOM 490 N ILE A 30 5.918 1.803 -3.416 1.00 0.00 N ATOM 491 CA ILE A 30 6.357 0.399 -3.434 1.00 0.00 C ATOM 492 C ILE A 30 5.693 -0.356 -4.593 1.00 0.00 C ATOM 493 O ILE A 30 4.574 -0.033 -4.983 1.00 0.00 O ATOM 494 CB ILE A 30 6.087 -0.279 -2.063 1.00 0.00 C ATOM 495 CG1 ILE A 30 4.580 -0.405 -1.748 1.00 0.00 C ATOM 496 CG2 ILE A 30 6.805 0.474 -0.929 1.00 0.00 C ATOM 497 CD1 ILE A 30 4.280 -0.922 -0.338 1.00 0.00 C ATOM 0 H ILE A 30 4.929 1.903 -3.643 1.00 0.00 H new ATOM 0 HA ILE A 30 7.434 0.368 -3.600 1.00 0.00 H new ATOM 0 HB ILE A 30 6.488 -1.290 -2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.110 0.570 -1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.122 -1.076 -2.475 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.601 -0.019 0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.879 0.474 -1.115 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.444 1.502 -0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.201 -0.982 -0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.719 -1.912 -0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.706 -0.240 0.398 1.00 0.00 H new ATOM 509 N ILE A 31 6.373 -1.359 -5.145 1.00 0.00 N ATOM 510 CA ILE A 31 5.895 -2.205 -6.251 1.00 0.00 C ATOM 511 C ILE A 31 5.586 -3.598 -5.707 1.00 0.00 C ATOM 512 O ILE A 31 6.403 -4.192 -5.001 1.00 0.00 O ATOM 513 CB ILE A 31 6.932 -2.307 -7.396 1.00 0.00 C ATOM 514 CG1 ILE A 31 7.471 -0.912 -7.797 1.00 0.00 C ATOM 515 CG2 ILE A 31 6.318 -3.052 -8.606 1.00 0.00 C ATOM 516 CD1 ILE A 31 8.468 -0.915 -8.963 1.00 0.00 C ATOM 0 H ILE A 31 7.307 -1.619 -4.827 1.00 0.00 H new ATOM 0 HA ILE A 31 4.998 -1.748 -6.668 1.00 0.00 H new ATOM 0 HB ILE A 31 7.785 -2.884 -7.038 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.627 -0.275 -8.061 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.951 -0.461 -6.929 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.056 -3.118 -9.405 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.021 -4.056 -8.303 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.444 -2.507 -8.963 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.789 0.106 -9.170 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.335 -1.521 -8.699 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.990 -1.332 -9.849 1.00 0.00 H new ATOM 528 N ALA A 32 4.432 -4.135 -6.088 1.00 0.00 N ATOM 529 CA ALA A 32 3.951 -5.441 -5.676 1.00 0.00 C ATOM 530 C ALA A 32 3.460 -6.265 -6.871 1.00 0.00 C ATOM 531 O ALA A 32 2.855 -5.734 -7.803 1.00 0.00 O ATOM 532 CB ALA A 32 2.845 -5.192 -4.658 1.00 0.00 C ATOM 0 H ALA A 32 3.786 -3.653 -6.714 1.00 0.00 H new ATOM 0 HA ALA A 32 4.753 -6.031 -5.232 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.446 -6.146 -4.314 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.249 -4.640 -3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.048 -4.612 -5.122 1.00 0.00 H new ATOM 538 N ASN A 33 3.710 -7.572 -6.841 1.00 0.00 N ATOM 539 CA ASN A 33 3.306 -8.490 -7.900 1.00 0.00 C ATOM 540 C ASN A 33 1.774 -8.695 -7.925 1.00 0.00 C ATOM 541 O ASN A 33 1.192 -9.117 -6.924 1.00 0.00 O ATOM 542 CB ASN A 33 4.074 -9.799 -7.664 1.00 0.00 C ATOM 543 CG ASN A 33 4.059 -10.697 -8.886 1.00 0.00 C ATOM 544 OD1 ASN A 33 3.013 -10.988 -9.446 1.00 0.00 O ATOM 545 ND2 ASN A 33 5.218 -11.122 -9.339 1.00 0.00 N ATOM 0 H ASN A 33 4.204 -8.027 -6.073 1.00 0.00 H new ATOM 0 HA ASN A 33 3.549 -8.086 -8.882 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.105 -9.570 -7.395 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.635 -10.330 -6.819 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.256 -11.707 -10.174 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.079 -10.867 -8.856 1.00 0.00 H new ATOM 552 N ALA A 34 1.104 -8.458 -9.064 1.00 0.00 N ATOM 553 CA ALA A 34 -0.363 -8.607 -9.161 1.00 0.00 C ATOM 554 C ALA A 34 -0.822 -10.080 -9.233 1.00 0.00 C ATOM 555 O ALA A 34 -1.999 -10.376 -9.020 1.00 0.00 O ATOM 556 CB ALA A 34 -0.860 -7.820 -10.380 1.00 0.00 C ATOM 0 H ALA A 34 1.551 -8.163 -9.932 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.801 -8.207 -8.247 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.942 -7.922 -10.463 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.603 -6.767 -10.263 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.389 -8.211 -11.282 1.00 0.00 H new ATOM 562 N ARG A 35 0.111 -10.998 -9.526 1.00 0.00 N ATOM 563 CA ARG A 35 -0.136 -12.420 -9.821 1.00 0.00 C ATOM 564 C ARG A 35 0.106 -13.349 -8.607 1.00 0.00 C ATOM 565 O ARG A 35 0.034 -14.571 -8.742 1.00 0.00 O ATOM 566 CB ARG A 35 0.733 -12.828 -11.030 1.00 0.00 C ATOM 567 CG ARG A 35 0.593 -11.886 -12.253 1.00 0.00 C ATOM 568 CD ARG A 35 1.905 -11.212 -12.673 1.00 0.00 C ATOM 569 NE ARG A 35 2.897 -12.191 -13.154 1.00 0.00 N ATOM 570 CZ ARG A 35 4.189 -11.969 -13.370 1.00 0.00 C ATOM 571 NH1 ARG A 35 4.749 -10.800 -13.132 1.00 0.00 N ATOM 572 NH2 ARG A 35 4.945 -12.939 -13.838 1.00 0.00 N ATOM 0 H ARG A 35 1.102 -10.761 -9.566 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.192 -12.540 -10.061 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.778 -12.853 -10.721 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.465 -13.841 -11.332 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.203 -12.457 -13.096 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.142 -11.115 -12.023 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.704 -10.484 -13.458 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.318 -10.663 -11.827 1.00 0.00 H new ATOM 0 HE ARG A 35 2.557 -13.134 -13.340 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.187 -10.030 -12.770 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.744 -10.666 -13.310 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.538 -13.854 -14.032 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.938 -12.776 -14.006 1.00 0.00 H new ATOM 586 N VAL A 36 0.404 -12.779 -7.432 1.00 0.00 N ATOM 587 CA VAL A 36 0.652 -13.475 -6.149 1.00 0.00 C ATOM 588 C VAL A 36 -0.515 -13.188 -5.194 1.00 0.00 C ATOM 589 O VAL A 36 -0.977 -12.052 -5.118 1.00 0.00 O ATOM 590 CB VAL A 36 2.008 -13.031 -5.539 1.00 0.00 C ATOM 591 CG1 VAL A 36 2.256 -13.599 -4.132 1.00 0.00 C ATOM 592 CG2 VAL A 36 3.174 -13.449 -6.449 1.00 0.00 C ATOM 0 H VAL A 36 0.484 -11.766 -7.339 1.00 0.00 H new ATOM 0 HA VAL A 36 0.713 -14.550 -6.318 1.00 0.00 H new ATOM 0 HB VAL A 36 1.954 -11.945 -5.457 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.221 -13.250 -3.764 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.467 -13.262 -3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.256 -14.688 -4.174 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.116 -13.129 -6.004 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.176 -14.533 -6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.058 -12.982 -7.427 1.00 0.00 H new ATOM 602 N GLU A 37 -0.971 -14.209 -4.460 1.00 0.00 N ATOM 603 CA GLU A 37 -2.231 -14.213 -3.691 1.00 0.00 C ATOM 604 C GLU A 37 -2.416 -13.056 -2.688 1.00 0.00 C ATOM 605 O GLU A 37 -3.534 -12.576 -2.494 1.00 0.00 O ATOM 606 CB GLU A 37 -2.380 -15.562 -2.965 1.00 0.00 C ATOM 607 CG GLU A 37 -1.274 -15.907 -1.956 1.00 0.00 C ATOM 608 CD GLU A 37 -1.488 -17.315 -1.378 1.00 0.00 C ATOM 609 OE1 GLU A 37 -0.985 -18.300 -1.972 1.00 0.00 O ATOM 610 OE2 GLU A 37 -2.152 -17.449 -0.324 1.00 0.00 O ATOM 0 H GLU A 37 -0.459 -15.088 -4.379 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.016 -14.061 -4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.336 -15.568 -2.442 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.421 -16.353 -3.714 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.300 -15.852 -2.443 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.269 -15.174 -1.149 1.00 0.00 H new ATOM 617 N ASN A 38 -1.326 -12.603 -2.063 1.00 0.00 N ATOM 618 CA ASN A 38 -1.311 -11.531 -1.054 1.00 0.00 C ATOM 619 C ASN A 38 -0.738 -10.200 -1.594 1.00 0.00 C ATOM 620 O ASN A 38 -0.637 -9.228 -0.846 1.00 0.00 O ATOM 621 CB ASN A 38 -0.554 -12.053 0.182 1.00 0.00 C ATOM 622 CG ASN A 38 0.914 -12.356 -0.095 1.00 0.00 C ATOM 623 OD1 ASN A 38 1.769 -11.481 -0.031 1.00 0.00 O ATOM 624 ND2 ASN A 38 1.235 -13.591 -0.446 1.00 0.00 N ATOM 0 H ASN A 38 -0.397 -12.982 -2.249 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.335 -11.283 -0.775 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.621 -11.313 0.980 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.043 -12.958 0.544 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.203 -13.823 -0.667 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.514 -14.311 -0.496 1.00 0.00 H new ATOM 631 N CYS A 39 -0.336 -10.158 -2.875 1.00 0.00 N ATOM 632 CA CYS A 39 0.386 -9.043 -3.519 1.00 0.00 C ATOM 633 C CYS A 39 1.615 -8.602 -2.699 1.00 0.00 C ATOM 634 O CYS A 39 1.653 -7.505 -2.135 1.00 0.00 O ATOM 635 CB CYS A 39 -0.596 -7.903 -3.851 1.00 0.00 C ATOM 636 SG CYS A 39 -1.760 -8.462 -5.129 1.00 0.00 S ATOM 0 H CYS A 39 -0.511 -10.930 -3.518 1.00 0.00 H new ATOM 0 HA CYS A 39 0.801 -9.384 -4.467 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.139 -7.604 -2.955 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.049 -7.027 -4.200 1.00 0.00 H new ATOM 0 HG CYS A 39 -2.591 -7.502 -5.409 1.00 0.00 H new ATOM 642 N ALA A 40 2.614 -9.485 -2.612 1.00 0.00 N ATOM 643 CA ALA A 40 3.863 -9.244 -1.888 1.00 0.00 C ATOM 644 C ALA A 40 4.663 -8.072 -2.492 1.00 0.00 C ATOM 645 O ALA A 40 4.755 -7.963 -3.716 1.00 0.00 O ATOM 646 CB ALA A 40 4.689 -10.539 -1.882 1.00 0.00 C ATOM 0 H ALA A 40 2.575 -10.405 -3.052 1.00 0.00 H new ATOM 0 HA ALA A 40 3.627 -8.956 -0.863 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.623 -10.372 -1.345 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.123 -11.329 -1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.908 -10.836 -2.908 1.00 0.00 H new ATOM 652 N VAL A 41 5.280 -7.235 -1.648 1.00 0.00 N ATOM 653 CA VAL A 41 6.227 -6.188 -2.090 1.00 0.00 C ATOM 654 C VAL A 41 7.449 -6.855 -2.731 1.00 0.00 C ATOM 655 O VAL A 41 8.155 -7.621 -2.077 1.00 0.00 O ATOM 656 CB VAL A 41 6.675 -5.234 -0.948 1.00 0.00 C ATOM 657 CG1 VAL A 41 7.658 -4.161 -1.436 1.00 0.00 C ATOM 658 CG2 VAL A 41 5.449 -4.534 -0.339 1.00 0.00 C ATOM 0 H VAL A 41 5.141 -7.260 -0.638 1.00 0.00 H new ATOM 0 HA VAL A 41 5.703 -5.565 -2.815 1.00 0.00 H new ATOM 0 HB VAL A 41 7.181 -5.848 -0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.941 -3.520 -0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.548 -4.641 -1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.184 -3.559 -2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.771 -3.867 0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.939 -3.956 -1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.766 -5.282 0.065 1.00 0.00 H new ATOM 668 N ILE A 42 7.693 -6.544 -4.007 1.00 0.00 N ATOM 669 CA ILE A 42 8.877 -6.991 -4.770 1.00 0.00 C ATOM 670 C ILE A 42 9.944 -5.899 -4.881 1.00 0.00 C ATOM 671 O ILE A 42 11.116 -6.206 -5.103 1.00 0.00 O ATOM 672 CB ILE A 42 8.484 -7.505 -6.175 1.00 0.00 C ATOM 673 CG1 ILE A 42 7.685 -6.474 -7.005 1.00 0.00 C ATOM 674 CG2 ILE A 42 7.720 -8.827 -6.025 1.00 0.00 C ATOM 675 CD1 ILE A 42 7.453 -6.897 -8.458 1.00 0.00 C ATOM 0 H ILE A 42 7.062 -5.961 -4.557 1.00 0.00 H new ATOM 0 HA ILE A 42 9.311 -7.818 -4.208 1.00 0.00 H new ATOM 0 HB ILE A 42 9.401 -7.671 -6.741 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.720 -6.306 -6.527 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.216 -5.522 -6.994 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.438 -9.198 -7.010 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.356 -9.560 -5.529 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.822 -8.663 -5.429 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.886 -6.123 -8.976 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.413 -7.037 -8.954 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.894 -7.832 -8.480 1.00 0.00 H new ATOM 687 N TYR A 43 9.554 -4.636 -4.693 1.00 0.00 N ATOM 688 CA TYR A 43 10.452 -3.482 -4.711 1.00 0.00 C ATOM 689 C TYR A 43 9.883 -2.326 -3.880 1.00 0.00 C ATOM 690 O TYR A 43 8.673 -2.127 -3.825 1.00 0.00 O ATOM 691 CB TYR A 43 10.691 -3.045 -6.165 1.00 0.00 C ATOM 692 CG TYR A 43 11.927 -2.180 -6.325 1.00 0.00 C ATOM 693 CD1 TYR A 43 13.203 -2.775 -6.306 1.00 0.00 C ATOM 694 CD2 TYR A 43 11.808 -0.778 -6.424 1.00 0.00 C ATOM 695 CE1 TYR A 43 14.360 -1.975 -6.383 1.00 0.00 C ATOM 696 CE2 TYR A 43 12.961 0.028 -6.501 1.00 0.00 C ATOM 697 CZ TYR A 43 14.242 -0.569 -6.477 1.00 0.00 C ATOM 698 OH TYR A 43 15.362 0.205 -6.545 1.00 0.00 O ATOM 0 H TYR A 43 8.581 -4.383 -4.520 1.00 0.00 H new ATOM 0 HA TYR A 43 11.403 -3.768 -4.262 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.789 -3.930 -6.794 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.820 -2.495 -6.522 1.00 0.00 H new ATOM 0 HD1 TYR A 43 13.295 -3.849 -6.232 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.830 -0.321 -6.441 1.00 0.00 H new ATOM 0 HE1 TYR A 43 15.337 -2.435 -6.370 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.866 1.101 -6.578 1.00 0.00 H new ATOM 0 HH TYR A 43 15.104 1.149 -6.607 1.00 0.00 H new ATOM 708 N CYS A 44 10.737 -1.527 -3.252 1.00 0.00 N ATOM 709 CA CYS A 44 10.321 -0.389 -2.423 1.00 0.00 C ATOM 710 C CYS A 44 11.363 0.737 -2.365 1.00 0.00 C ATOM 711 O CYS A 44 12.551 0.497 -2.571 1.00 0.00 O ATOM 712 CB CYS A 44 9.921 -0.917 -1.036 1.00 0.00 C ATOM 713 SG CYS A 44 11.257 -1.872 -0.264 1.00 0.00 S ATOM 0 H CYS A 44 11.749 -1.647 -3.301 1.00 0.00 H new ATOM 0 HA CYS A 44 9.456 0.086 -2.886 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.655 -0.079 -0.392 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.034 -1.543 -1.128 1.00 0.00 H new ATOM 0 HG CYS A 44 10.871 -2.293 0.904 1.00 0.00 H new ATOM 719 N ASN A 45 10.902 1.963 -2.102 1.00 0.00 N ATOM 720 CA ASN A 45 11.765 3.155 -2.018 1.00 0.00 C ATOM 721 C ASN A 45 12.516 3.246 -0.659 1.00 0.00 C ATOM 722 O ASN A 45 12.493 2.313 0.141 1.00 0.00 O ATOM 723 CB ASN A 45 10.887 4.395 -2.318 1.00 0.00 C ATOM 724 CG ASN A 45 11.646 5.636 -2.803 1.00 0.00 C ATOM 725 OD1 ASN A 45 12.867 5.675 -2.869 1.00 0.00 O ATOM 726 ND2 ASN A 45 10.942 6.704 -3.126 1.00 0.00 N ATOM 0 H ASN A 45 9.915 2.162 -1.940 1.00 0.00 H new ATOM 0 HA ASN A 45 12.562 3.095 -2.759 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.149 4.123 -3.073 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.337 4.657 -1.414 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.416 7.555 -3.428 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.924 6.679 -3.073 1.00 0.00 H new ATOM 733 N ASP A 46 13.148 4.387 -0.367 1.00 0.00 N ATOM 734 CA ASP A 46 13.723 4.738 0.946 1.00 0.00 C ATOM 735 C ASP A 46 12.858 5.754 1.719 1.00 0.00 C ATOM 736 O ASP A 46 12.972 5.863 2.940 1.00 0.00 O ATOM 737 CB ASP A 46 15.133 5.311 0.740 1.00 0.00 C ATOM 738 CG ASP A 46 16.119 4.258 0.208 1.00 0.00 C ATOM 739 OD1 ASP A 46 16.597 3.421 1.011 1.00 0.00 O ATOM 740 OD2 ASP A 46 16.437 4.284 -1.007 1.00 0.00 O ATOM 0 H ASP A 46 13.281 5.123 -1.061 1.00 0.00 H new ATOM 0 HA ASP A 46 13.760 3.828 1.545 1.00 0.00 H new ATOM 0 HB2 ASP A 46 15.085 6.146 0.041 1.00 0.00 H new ATOM 0 HB3 ASP A 46 15.503 5.707 1.685 1.00 0.00 H new ATOM 745 N GLY A 47 11.959 6.473 1.029 1.00 0.00 N ATOM 746 CA GLY A 47 11.063 7.470 1.631 1.00 0.00 C ATOM 747 C GLY A 47 9.997 6.830 2.514 1.00 0.00 C ATOM 748 O GLY A 47 9.705 7.327 3.599 1.00 0.00 O ATOM 0 H GLY A 47 11.833 6.376 0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.650 8.172 2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.580 8.046 0.841 1.00 0.00 H new ATOM 752 N PHE A 48 9.410 5.721 2.048 1.00 0.00 N ATOM 753 CA PHE A 48 8.307 5.041 2.739 1.00 0.00 C ATOM 754 C PHE A 48 8.765 4.420 4.078 1.00 0.00 C ATOM 755 O PHE A 48 7.993 4.385 5.035 1.00 0.00 O ATOM 756 CB PHE A 48 7.661 4.015 1.782 1.00 0.00 C ATOM 757 CG PHE A 48 8.187 2.609 1.892 1.00 0.00 C ATOM 758 CD1 PHE A 48 9.498 2.280 1.505 1.00 0.00 C ATOM 759 CD2 PHE A 48 7.361 1.641 2.475 1.00 0.00 C ATOM 760 CE1 PHE A 48 9.999 0.996 1.782 1.00 0.00 C ATOM 761 CE2 PHE A 48 7.854 0.361 2.725 1.00 0.00 C ATOM 762 CZ PHE A 48 9.179 0.034 2.392 1.00 0.00 C ATOM 0 H PHE A 48 9.688 5.268 1.177 1.00 0.00 H new ATOM 0 HA PHE A 48 7.545 5.771 3.010 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.587 3.998 1.966 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.804 4.359 0.758 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.115 3.008 0.999 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.341 1.886 2.731 1.00 0.00 H new ATOM 0 HE1 PHE A 48 11.018 0.749 1.525 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.214 -0.383 3.177 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.565 -0.952 2.604 1.00 0.00 H new ATOM 772 N CYS A 49 10.045 4.025 4.175 1.00 0.00 N ATOM 773 CA CYS A 49 10.696 3.562 5.406 1.00 0.00 C ATOM 774 C CYS A 49 10.521 4.567 6.558 1.00 0.00 C ATOM 775 O CYS A 49 10.038 4.206 7.628 1.00 0.00 O ATOM 776 CB CYS A 49 12.190 3.312 5.120 1.00 0.00 C ATOM 777 SG CYS A 49 12.408 2.055 3.829 1.00 0.00 S ATOM 0 H CYS A 49 10.673 4.020 3.371 1.00 0.00 H new ATOM 0 HA CYS A 49 10.222 2.633 5.723 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.664 4.243 4.809 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.689 2.989 6.034 1.00 0.00 H new ATOM 0 HG CYS A 49 11.280 1.868 3.211 1.00 0.00 H new ATOM 783 N GLU A 50 10.856 5.838 6.316 1.00 0.00 N ATOM 784 CA GLU A 50 10.762 6.915 7.315 1.00 0.00 C ATOM 785 C GLU A 50 9.314 7.373 7.579 1.00 0.00 C ATOM 786 O GLU A 50 9.037 7.953 8.632 1.00 0.00 O ATOM 787 CB GLU A 50 11.616 8.113 6.873 1.00 0.00 C ATOM 788 CG GLU A 50 13.103 7.751 6.789 1.00 0.00 C ATOM 789 CD GLU A 50 13.965 9.005 6.589 1.00 0.00 C ATOM 790 OE1 GLU A 50 14.105 9.477 5.437 1.00 0.00 O ATOM 791 OE2 GLU A 50 14.516 9.532 7.589 1.00 0.00 O ATOM 0 H GLU A 50 11.205 6.155 5.411 1.00 0.00 H new ATOM 0 HA GLU A 50 11.139 6.508 8.253 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.272 8.466 5.901 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.481 8.935 7.576 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.408 7.238 7.701 1.00 0.00 H new ATOM 0 HG3 GLU A 50 13.266 7.058 5.964 1.00 0.00 H new ATOM 798 N LEU A 51 8.391 7.099 6.647 1.00 0.00 N ATOM 799 CA LEU A 51 6.958 7.389 6.770 1.00 0.00 C ATOM 800 C LEU A 51 6.348 6.582 7.934 1.00 0.00 C ATOM 801 O LEU A 51 5.818 7.164 8.880 1.00 0.00 O ATOM 802 CB LEU A 51 6.285 7.089 5.408 1.00 0.00 C ATOM 803 CG LEU A 51 5.022 7.899 5.055 1.00 0.00 C ATOM 804 CD1 LEU A 51 4.393 7.309 3.785 1.00 0.00 C ATOM 805 CD2 LEU A 51 3.954 7.908 6.146 1.00 0.00 C ATOM 0 H LEU A 51 8.630 6.656 5.760 1.00 0.00 H new ATOM 0 HA LEU A 51 6.790 8.439 7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.023 7.254 4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.025 6.031 5.385 1.00 0.00 H new ATOM 0 HG LEU A 51 5.352 8.929 4.922 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.498 7.875 3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.108 7.366 2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.125 6.267 3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.101 8.500 5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.631 6.887 6.347 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.367 8.344 7.056 1.00 0.00 H new ATOM 817 N CYS A 52 6.454 5.247 7.881 1.00 0.00 N ATOM 818 CA CYS A 52 5.847 4.328 8.861 1.00 0.00 C ATOM 819 C CYS A 52 6.819 3.850 9.959 1.00 0.00 C ATOM 820 O CYS A 52 6.378 3.345 10.993 1.00 0.00 O ATOM 821 CB CYS A 52 5.234 3.149 8.091 1.00 0.00 C ATOM 822 SG CYS A 52 3.999 3.760 6.902 1.00 0.00 S ATOM 0 H CYS A 52 6.971 4.765 7.146 1.00 0.00 H new ATOM 0 HA CYS A 52 5.076 4.873 9.406 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.016 2.600 7.566 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.768 2.452 8.787 1.00 0.00 H new ATOM 0 HG CYS A 52 3.642 2.792 6.111 1.00 0.00 H new ATOM 828 N GLY A 53 8.129 4.027 9.766 1.00 0.00 N ATOM 829 CA GLY A 53 9.181 3.768 10.759 1.00 0.00 C ATOM 830 C GLY A 53 9.778 2.359 10.683 1.00 0.00 C ATOM 831 O GLY A 53 10.639 2.023 11.495 1.00 0.00 O ATOM 0 H GLY A 53 8.503 4.368 8.880 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.980 4.497 10.625 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.771 3.924 11.757 1.00 0.00 H new ATOM 835 N TYR A 54 9.334 1.539 9.724 1.00 0.00 N ATOM 836 CA TYR A 54 9.929 0.243 9.391 1.00 0.00 C ATOM 837 C TYR A 54 11.106 0.389 8.390 1.00 0.00 C ATOM 838 O TYR A 54 11.722 1.450 8.291 1.00 0.00 O ATOM 839 CB TYR A 54 8.794 -0.700 8.948 1.00 0.00 C ATOM 840 CG TYR A 54 7.837 -0.271 7.841 1.00 0.00 C ATOM 841 CD1 TYR A 54 8.174 0.700 6.877 1.00 0.00 C ATOM 842 CD2 TYR A 54 6.564 -0.875 7.793 1.00 0.00 C ATOM 843 CE1 TYR A 54 7.246 1.069 5.888 1.00 0.00 C ATOM 844 CE2 TYR A 54 5.634 -0.518 6.799 1.00 0.00 C ATOM 845 CZ TYR A 54 5.973 0.458 5.838 1.00 0.00 C ATOM 846 OH TYR A 54 5.083 0.807 4.869 1.00 0.00 O ATOM 0 H TYR A 54 8.528 1.767 9.142 1.00 0.00 H new ATOM 0 HA TYR A 54 10.404 -0.210 10.261 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.254 -1.637 8.634 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.192 -0.920 9.830 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.150 1.163 6.898 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.299 -1.621 8.528 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.508 1.824 5.162 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.663 -0.990 6.772 1.00 0.00 H new ATOM 0 HH TYR A 54 5.526 0.786 3.995 1.00 0.00 H new ATOM 856 N SER A 55 11.412 -0.649 7.605 1.00 0.00 N ATOM 857 CA SER A 55 12.438 -0.611 6.549 1.00 0.00 C ATOM 858 C SER A 55 12.251 -1.752 5.537 1.00 0.00 C ATOM 859 O SER A 55 11.492 -2.698 5.788 1.00 0.00 O ATOM 860 CB SER A 55 13.847 -0.662 7.167 1.00 0.00 C ATOM 861 OG SER A 55 14.839 -0.336 6.200 1.00 0.00 O ATOM 0 H SER A 55 10.949 -1.554 7.684 1.00 0.00 H new ATOM 0 HA SER A 55 12.324 0.329 6.010 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.907 0.034 8.004 1.00 0.00 H new ATOM 0 HB3 SER A 55 14.037 -1.658 7.567 1.00 0.00 H new ATOM 0 HG SER A 55 15.726 -0.373 6.616 1.00 0.00 H new ATOM 867 N ARG A 56 12.989 -1.711 4.421 1.00 0.00 N ATOM 868 CA ARG A 56 12.975 -2.738 3.365 1.00 0.00 C ATOM 869 C ARG A 56 13.159 -4.144 3.947 1.00 0.00 C ATOM 870 O ARG A 56 12.344 -5.012 3.668 1.00 0.00 O ATOM 871 CB ARG A 56 14.030 -2.407 2.289 1.00 0.00 C ATOM 872 CG ARG A 56 14.137 -3.521 1.227 1.00 0.00 C ATOM 873 CD ARG A 56 15.154 -3.232 0.121 1.00 0.00 C ATOM 874 NE ARG A 56 14.743 -2.125 -0.765 1.00 0.00 N ATOM 875 CZ ARG A 56 15.583 -1.413 -1.518 1.00 0.00 C ATOM 876 NH1 ARG A 56 16.877 -1.665 -1.553 1.00 0.00 N ATOM 877 NH2 ARG A 56 15.150 -0.426 -2.267 1.00 0.00 N ATOM 0 H ARG A 56 13.630 -0.944 4.220 1.00 0.00 H new ATOM 0 HA ARG A 56 11.996 -2.731 2.885 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.771 -1.466 1.803 1.00 0.00 H new ATOM 0 HB3 ARG A 56 15.001 -2.264 2.764 1.00 0.00 H new ATOM 0 HG2 ARG A 56 14.408 -4.454 1.721 1.00 0.00 H new ATOM 0 HG3 ARG A 56 13.157 -3.673 0.775 1.00 0.00 H new ATOM 0 HD2 ARG A 56 16.116 -2.990 0.573 1.00 0.00 H new ATOM 0 HD3 ARG A 56 15.300 -4.133 -0.475 1.00 0.00 H new ATOM 0 HE ARG A 56 13.751 -1.889 -0.804 1.00 0.00 H new ATOM 0 HH11 ARG A 56 17.264 -2.425 -0.993 1.00 0.00 H new ATOM 0 HH12 ARG A 56 17.491 -1.100 -2.140 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.157 -0.193 -2.279 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.806 0.108 -2.837 1.00 0.00 H new ATOM 891 N ALA A 57 14.138 -4.368 4.828 1.00 0.00 N ATOM 892 CA ALA A 57 14.384 -5.673 5.463 1.00 0.00 C ATOM 893 C ALA A 57 13.163 -6.243 6.225 1.00 0.00 C ATOM 894 O ALA A 57 13.028 -7.461 6.347 1.00 0.00 O ATOM 895 CB ALA A 57 15.598 -5.520 6.389 1.00 0.00 C ATOM 0 H ALA A 57 14.791 -3.643 5.126 1.00 0.00 H new ATOM 0 HA ALA A 57 14.579 -6.404 4.678 1.00 0.00 H new ATOM 0 HB1 ALA A 57 15.807 -6.473 6.876 1.00 0.00 H new ATOM 0 HB2 ALA A 57 16.465 -5.214 5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 57 15.386 -4.765 7.146 1.00 0.00 H new ATOM 901 N GLU A 58 12.260 -5.371 6.694 1.00 0.00 N ATOM 902 CA GLU A 58 11.014 -5.729 7.386 1.00 0.00 C ATOM 903 C GLU A 58 9.831 -5.848 6.410 1.00 0.00 C ATOM 904 O GLU A 58 9.001 -6.744 6.564 1.00 0.00 O ATOM 905 CB GLU A 58 10.667 -4.661 8.441 1.00 0.00 C ATOM 906 CG GLU A 58 11.856 -4.194 9.285 1.00 0.00 C ATOM 907 CD GLU A 58 12.505 -5.335 10.085 1.00 0.00 C ATOM 908 OE1 GLU A 58 11.825 -5.943 10.945 1.00 0.00 O ATOM 909 OE2 GLU A 58 13.709 -5.618 9.876 1.00 0.00 O ATOM 0 H GLU A 58 12.381 -4.363 6.599 1.00 0.00 H new ATOM 0 HA GLU A 58 11.179 -6.697 7.860 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.234 -3.797 7.937 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.900 -5.060 9.105 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.604 -3.743 8.633 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.524 -3.417 9.974 1.00 0.00 H new ATOM 916 N VAL A 59 9.756 -4.944 5.423 1.00 0.00 N ATOM 917 CA VAL A 59 8.673 -4.846 4.423 1.00 0.00 C ATOM 918 C VAL A 59 8.847 -5.861 3.271 1.00 0.00 C ATOM 919 O VAL A 59 7.883 -6.184 2.574 1.00 0.00 O ATOM 920 CB VAL A 59 8.524 -3.381 3.920 1.00 0.00 C ATOM 921 CG1 VAL A 59 7.508 -3.280 2.765 1.00 0.00 C ATOM 922 CG2 VAL A 59 8.087 -2.492 5.096 1.00 0.00 C ATOM 0 H VAL A 59 10.474 -4.232 5.291 1.00 0.00 H new ATOM 0 HA VAL A 59 7.738 -5.118 4.912 1.00 0.00 H new ATOM 0 HB VAL A 59 9.486 -3.043 3.535 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.430 -2.243 2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.842 -3.898 1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.533 -3.628 3.107 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.980 -1.463 4.754 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.132 -2.846 5.485 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.839 -2.536 5.884 1.00 0.00 H new ATOM 932 N MET A 60 10.044 -6.432 3.084 1.00 0.00 N ATOM 933 CA MET A 60 10.283 -7.505 2.115 1.00 0.00 C ATOM 934 C MET A 60 9.423 -8.724 2.466 1.00 0.00 C ATOM 935 O MET A 60 9.376 -9.140 3.624 1.00 0.00 O ATOM 936 CB MET A 60 11.777 -7.872 2.065 1.00 0.00 C ATOM 937 CG MET A 60 12.532 -6.944 1.107 1.00 0.00 C ATOM 938 SD MET A 60 14.318 -7.242 0.998 1.00 0.00 S ATOM 939 CE MET A 60 14.327 -8.807 0.086 1.00 0.00 C ATOM 0 H MET A 60 10.878 -6.160 3.605 1.00 0.00 H new ATOM 0 HA MET A 60 9.998 -7.156 1.122 1.00 0.00 H new ATOM 0 HB2 MET A 60 12.208 -7.800 3.064 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.892 -8.907 1.742 1.00 0.00 H new ATOM 0 HG2 MET A 60 12.101 -7.046 0.111 1.00 0.00 H new ATOM 0 HG3 MET A 60 12.370 -5.913 1.421 1.00 0.00 H new ATOM 0 HE1 MET A 60 15.355 -9.088 -0.144 1.00 0.00 H new ATOM 0 HE2 MET A 60 13.866 -9.585 0.694 1.00 0.00 H new ATOM 0 HE3 MET A 60 13.766 -8.691 -0.841 1.00 0.00 H new ATOM 949 N GLN A 61 8.723 -9.258 1.456 1.00 0.00 N ATOM 950 CA GLN A 61 7.813 -10.414 1.556 1.00 0.00 C ATOM 951 C GLN A 61 6.506 -10.124 2.331 1.00 0.00 C ATOM 952 O GLN A 61 5.755 -11.048 2.650 1.00 0.00 O ATOM 953 CB GLN A 61 8.567 -11.655 2.069 1.00 0.00 C ATOM 954 CG GLN A 61 9.741 -12.030 1.144 1.00 0.00 C ATOM 955 CD GLN A 61 10.068 -13.518 1.225 1.00 0.00 C ATOM 956 OE1 GLN A 61 11.013 -13.952 1.875 1.00 0.00 O ATOM 957 NE2 GLN A 61 9.282 -14.358 0.580 1.00 0.00 N ATOM 0 H GLN A 61 8.775 -8.884 0.508 1.00 0.00 H new ATOM 0 HA GLN A 61 7.468 -10.632 0.545 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.942 -11.463 3.074 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.877 -12.496 2.141 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.493 -11.767 0.116 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.621 -11.448 1.418 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.494 -14.005 0.037 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.462 -15.361 0.624 1.00 0.00 H new ATOM 966 N ARG A 62 6.199 -8.844 2.590 1.00 0.00 N ATOM 967 CA ARG A 62 4.919 -8.396 3.169 1.00 0.00 C ATOM 968 C ARG A 62 3.894 -8.095 2.069 1.00 0.00 C ATOM 969 O ARG A 62 4.301 -7.698 0.969 1.00 0.00 O ATOM 970 CB ARG A 62 5.093 -7.126 4.027 1.00 0.00 C ATOM 971 CG ARG A 62 6.051 -7.285 5.206 1.00 0.00 C ATOM 972 CD ARG A 62 5.641 -8.312 6.263 1.00 0.00 C ATOM 973 NE ARG A 62 6.775 -8.530 7.176 1.00 0.00 N ATOM 974 CZ ARG A 62 6.856 -9.395 8.176 1.00 0.00 C ATOM 975 NH1 ARG A 62 5.857 -10.190 8.502 1.00 0.00 N ATOM 976 NH2 ARG A 62 7.970 -9.466 8.872 1.00 0.00 N ATOM 0 H ARG A 62 6.843 -8.076 2.400 1.00 0.00 H new ATOM 0 HA ARG A 62 4.563 -9.211 3.799 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.452 -6.318 3.389 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.117 -6.822 4.406 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.031 -7.562 4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.163 -6.316 5.692 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.773 -7.957 6.818 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.354 -9.250 5.787 1.00 0.00 H new ATOM 0 HE ARG A 62 7.596 -7.945 7.020 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.983 -10.152 7.977 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.958 -10.843 9.279 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.757 -8.860 8.639 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.047 -10.127 9.645 1.00 0.00 H new ATOM 990 N PRO A 63 2.584 -8.204 2.366 1.00 0.00 N ATOM 991 CA PRO A 63 1.528 -7.751 1.472 1.00 0.00 C ATOM 992 C PRO A 63 1.520 -6.221 1.394 1.00 0.00 C ATOM 993 O PRO A 63 1.558 -5.536 2.415 1.00 0.00 O ATOM 994 CB PRO A 63 0.233 -8.311 2.062 1.00 0.00 C ATOM 995 CG PRO A 63 0.521 -8.474 3.551 1.00 0.00 C ATOM 996 CD PRO A 63 2.025 -8.730 3.609 1.00 0.00 C ATOM 0 HA PRO A 63 1.665 -8.098 0.448 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.604 -7.634 1.893 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.031 -9.264 1.604 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.246 -7.580 4.111 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.042 -9.304 3.978 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.469 -8.237 4.473 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.234 -9.795 3.708 1.00 0.00 H new ATOM 1004 N CYS A 64 1.460 -5.680 0.173 1.00 0.00 N ATOM 1005 CA CYS A 64 1.537 -4.234 -0.088 1.00 0.00 C ATOM 1006 C CYS A 64 0.325 -3.415 0.402 1.00 0.00 C ATOM 1007 O CYS A 64 0.381 -2.181 0.417 1.00 0.00 O ATOM 1008 CB CYS A 64 1.758 -4.041 -1.588 1.00 0.00 C ATOM 1009 SG CYS A 64 0.287 -4.588 -2.509 1.00 0.00 S ATOM 0 H CYS A 64 1.355 -6.238 -0.674 1.00 0.00 H new ATOM 0 HA CYS A 64 2.370 -3.843 0.496 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.962 -2.992 -1.802 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.631 -4.608 -1.911 1.00 0.00 H new ATOM 0 HG CYS A 64 0.395 -4.226 -3.753 1.00 0.00 H new ATOM 1015 N THR A 65 -0.750 -4.094 0.821 1.00 0.00 N ATOM 1016 CA THR A 65 -1.892 -3.505 1.533 1.00 0.00 C ATOM 1017 C THR A 65 -1.471 -2.910 2.876 1.00 0.00 C ATOM 1018 O THR A 65 -2.122 -1.968 3.332 1.00 0.00 O ATOM 1019 CB THR A 65 -2.980 -4.558 1.769 1.00 0.00 C ATOM 1020 OG1 THR A 65 -2.393 -5.673 2.405 1.00 0.00 O ATOM 1021 CG2 THR A 65 -3.621 -5.025 0.459 1.00 0.00 C ATOM 0 H THR A 65 -0.853 -5.097 0.670 1.00 0.00 H new ATOM 0 HA THR A 65 -2.285 -2.705 0.905 1.00 0.00 H new ATOM 0 HB THR A 65 -3.759 -4.109 2.385 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.077 -6.356 2.565 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.386 -5.771 0.674 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.076 -4.174 -0.047 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.858 -5.463 -0.184 1.00 0.00 H new ATOM 1029 N CYS A 66 -0.397 -3.440 3.488 1.00 0.00 N ATOM 1030 CA CYS A 66 0.147 -3.008 4.782 1.00 0.00 C ATOM 1031 C CYS A 66 -0.940 -2.889 5.873 1.00 0.00 C ATOM 1032 O CYS A 66 -0.950 -1.942 6.661 1.00 0.00 O ATOM 1033 CB CYS A 66 0.991 -1.739 4.579 1.00 0.00 C ATOM 1034 SG CYS A 66 2.400 -2.069 3.476 1.00 0.00 S ATOM 0 H CYS A 66 0.133 -4.209 3.078 1.00 0.00 H new ATOM 0 HA CYS A 66 0.812 -3.779 5.171 1.00 0.00 H new ATOM 0 HB2 CYS A 66 0.371 -0.948 4.157 1.00 0.00 H new ATOM 0 HB3 CYS A 66 1.354 -1.380 5.542 1.00 0.00 H new ATOM 0 HG CYS A 66 3.094 -0.981 3.320 1.00 0.00 H new ATOM 1040 N ASP A 67 -1.856 -3.865 5.927 1.00 0.00 N ATOM 1041 CA ASP A 67 -3.015 -3.890 6.833 1.00 0.00 C ATOM 1042 C ASP A 67 -2.610 -3.780 8.315 1.00 0.00 C ATOM 1043 O ASP A 67 -3.304 -3.151 9.118 1.00 0.00 O ATOM 1044 CB ASP A 67 -3.787 -5.191 6.573 1.00 0.00 C ATOM 1045 CG ASP A 67 -5.042 -5.325 7.455 1.00 0.00 C ATOM 1046 OD1 ASP A 67 -6.014 -4.561 7.239 1.00 0.00 O ATOM 1047 OD2 ASP A 67 -5.061 -6.219 8.335 1.00 0.00 O ATOM 0 H ASP A 67 -1.811 -4.685 5.323 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.642 -3.021 6.630 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.080 -5.231 5.524 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.129 -6.041 6.753 1.00 0.00 H new ATOM 1052 N PHE A 68 -1.433 -4.322 8.654 1.00 0.00 N ATOM 1053 CA PHE A 68 -0.828 -4.247 9.982 1.00 0.00 C ATOM 1054 C PHE A 68 -0.567 -2.808 10.488 1.00 0.00 C ATOM 1055 O PHE A 68 -0.373 -2.616 11.692 1.00 0.00 O ATOM 1056 CB PHE A 68 0.461 -5.089 9.982 1.00 0.00 C ATOM 1057 CG PHE A 68 1.524 -4.647 8.988 1.00 0.00 C ATOM 1058 CD1 PHE A 68 2.410 -3.605 9.319 1.00 0.00 C ATOM 1059 CD2 PHE A 68 1.641 -5.287 7.738 1.00 0.00 C ATOM 1060 CE1 PHE A 68 3.397 -3.200 8.404 1.00 0.00 C ATOM 1061 CE2 PHE A 68 2.630 -4.883 6.824 1.00 0.00 C ATOM 1062 CZ PHE A 68 3.509 -3.836 7.155 1.00 0.00 C ATOM 0 H PHE A 68 -0.861 -4.840 7.987 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.550 -4.651 10.692 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.891 -5.066 10.983 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.199 -6.126 9.772 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.331 -3.115 10.278 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.968 -6.092 7.481 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.072 -2.397 8.661 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.715 -5.377 5.867 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.267 -3.522 6.453 1.00 0.00 H new ATOM 1072 N LEU A 69 -0.586 -1.794 9.607 1.00 0.00 N ATOM 1073 CA LEU A 69 -0.465 -0.377 9.978 1.00 0.00 C ATOM 1074 C LEU A 69 -1.747 0.224 10.578 1.00 0.00 C ATOM 1075 O LEU A 69 -1.723 1.387 10.978 1.00 0.00 O ATOM 1076 CB LEU A 69 -0.022 0.455 8.759 1.00 0.00 C ATOM 1077 CG LEU A 69 1.354 0.089 8.174 1.00 0.00 C ATOM 1078 CD1 LEU A 69 1.609 0.969 6.944 1.00 0.00 C ATOM 1079 CD2 LEU A 69 2.495 0.295 9.185 1.00 0.00 C ATOM 0 H LEU A 69 -0.687 -1.939 8.603 1.00 0.00 H new ATOM 0 HA LEU A 69 0.290 -0.337 10.763 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.772 0.347 7.975 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.008 1.507 9.044 1.00 0.00 H new ATOM 0 HG LEU A 69 1.338 -0.969 7.911 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.581 0.723 6.516 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.830 0.792 6.202 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.597 2.018 7.239 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.444 0.023 8.723 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.527 1.341 9.490 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.324 -0.333 10.060 1.00 0.00 H new ATOM 1091 N HIS A 70 -2.866 -0.505 10.651 1.00 0.00 N ATOM 1092 CA HIS A 70 -4.078 0.011 11.285 1.00 0.00 C ATOM 1093 C HIS A 70 -3.872 0.383 12.775 1.00 0.00 C ATOM 1094 O HIS A 70 -3.304 -0.384 13.561 1.00 0.00 O ATOM 1095 CB HIS A 70 -5.267 -0.945 11.043 1.00 0.00 C ATOM 1096 CG HIS A 70 -5.231 -2.328 11.670 1.00 0.00 C ATOM 1097 ND1 HIS A 70 -4.761 -2.670 12.918 1.00 0.00 N ATOM 1098 CD2 HIS A 70 -5.811 -3.454 11.149 1.00 0.00 C ATOM 1099 CE1 HIS A 70 -5.046 -3.961 13.148 1.00 0.00 C ATOM 1100 NE2 HIS A 70 -5.694 -4.492 12.091 1.00 0.00 N ATOM 0 H HIS A 70 -2.955 -1.451 10.279 1.00 0.00 H new ATOM 0 HA HIS A 70 -4.327 0.957 10.805 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.169 -0.446 11.396 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.374 -1.073 9.966 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -4.276 -2.045 13.562 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.279 -3.532 10.179 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.793 -4.498 14.050 1.00 0.00 H new ATOM 1108 N GLY A 71 -4.370 1.559 13.170 1.00 0.00 N ATOM 1109 CA GLY A 71 -4.519 1.995 14.563 1.00 0.00 C ATOM 1110 C GLY A 71 -5.988 1.939 15.015 1.00 0.00 C ATOM 1111 O GLY A 71 -6.857 1.535 14.235 1.00 0.00 O ATOM 0 H GLY A 71 -4.693 2.260 12.503 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.913 1.361 15.211 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.143 3.012 14.670 1.00 0.00 H new ATOM 1115 N PRO A 72 -6.301 2.399 16.243 1.00 0.00 N ATOM 1116 CA PRO A 72 -7.676 2.468 16.740 1.00 0.00 C ATOM 1117 C PRO A 72 -8.557 3.486 15.986 1.00 0.00 C ATOM 1118 O PRO A 72 -9.781 3.390 16.070 1.00 0.00 O ATOM 1119 CB PRO A 72 -7.551 2.787 18.235 1.00 0.00 C ATOM 1120 CG PRO A 72 -6.195 3.479 18.365 1.00 0.00 C ATOM 1121 CD PRO A 72 -5.354 2.834 17.264 1.00 0.00 C ATOM 0 HA PRO A 72 -8.194 1.524 16.571 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.361 3.434 18.572 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.594 1.881 18.839 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.280 4.557 18.225 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.756 3.319 19.350 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.636 3.544 16.854 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.783 1.991 17.652 1.00 0.00 H new ATOM 1129 N ARG A 73 -7.966 4.426 15.224 1.00 0.00 N ATOM 1130 CA ARG A 73 -8.700 5.391 14.383 1.00 0.00 C ATOM 1131 C ARG A 73 -8.961 4.891 12.943 1.00 0.00 C ATOM 1132 O ARG A 73 -9.696 5.551 12.202 1.00 0.00 O ATOM 1133 CB ARG A 73 -7.966 6.753 14.362 1.00 0.00 C ATOM 1134 CG ARG A 73 -8.144 7.591 15.644 1.00 0.00 C ATOM 1135 CD ARG A 73 -7.257 7.158 16.818 1.00 0.00 C ATOM 1136 NE ARG A 73 -7.540 7.958 18.024 1.00 0.00 N ATOM 1137 CZ ARG A 73 -6.824 7.990 19.145 1.00 0.00 C ATOM 1138 NH1 ARG A 73 -5.684 7.338 19.275 1.00 0.00 N ATOM 1139 NH2 ARG A 73 -7.257 8.691 20.170 1.00 0.00 N ATOM 0 H ARG A 73 -6.953 4.538 15.175 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.682 5.510 14.841 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.902 6.577 14.202 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.324 7.332 13.511 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -7.933 8.635 15.412 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.187 7.538 15.955 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -7.422 6.102 17.032 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.208 7.267 16.544 1.00 0.00 H new ATOM 0 HE ARG A 73 -8.371 8.548 17.996 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.322 6.784 18.499 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.165 7.388 20.152 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.136 9.205 20.102 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.714 8.721 21.033 1.00 0.00 H new ATOM 1153 N THR A 74 -8.369 3.763 12.513 1.00 0.00 N ATOM 1154 CA THR A 74 -8.468 3.243 11.131 1.00 0.00 C ATOM 1155 C THR A 74 -9.886 2.753 10.834 1.00 0.00 C ATOM 1156 O THR A 74 -10.474 2.018 11.626 1.00 0.00 O ATOM 1157 CB THR A 74 -7.427 2.141 10.889 1.00 0.00 C ATOM 1158 OG1 THR A 74 -6.162 2.669 11.199 1.00 0.00 O ATOM 1159 CG2 THR A 74 -7.391 1.678 9.436 1.00 0.00 C ATOM 0 H THR A 74 -7.799 3.176 13.122 1.00 0.00 H new ATOM 0 HA THR A 74 -8.252 4.058 10.440 1.00 0.00 H new ATOM 0 HB THR A 74 -7.693 1.286 11.511 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.763 3.056 10.392 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.638 0.898 9.321 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.368 1.283 9.156 1.00 0.00 H new ATOM 0 HG23 THR A 74 -7.142 2.521 8.792 1.00 0.00 H new ATOM 1167 N GLN A 75 -10.430 3.161 9.684 1.00 0.00 N ATOM 1168 CA GLN A 75 -11.785 2.809 9.244 1.00 0.00 C ATOM 1169 C GLN A 75 -11.759 1.511 8.423 1.00 0.00 C ATOM 1170 O GLN A 75 -10.991 1.386 7.466 1.00 0.00 O ATOM 1171 CB GLN A 75 -12.393 3.974 8.445 1.00 0.00 C ATOM 1172 CG GLN A 75 -12.829 5.114 9.385 1.00 0.00 C ATOM 1173 CD GLN A 75 -13.115 6.403 8.618 1.00 0.00 C ATOM 1174 OE1 GLN A 75 -14.249 6.746 8.301 1.00 0.00 O ATOM 1175 NE2 GLN A 75 -12.086 7.150 8.278 1.00 0.00 N ATOM 0 H GLN A 75 -9.933 3.756 9.020 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.415 2.633 10.116 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.663 4.348 7.727 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.251 3.620 7.873 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.721 4.812 9.933 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.048 5.296 10.123 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.142 6.867 8.540 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.233 8.012 7.752 1.00 0.00 H new ATOM 1184 N ARG A 76 -12.637 0.557 8.766 1.00 0.00 N ATOM 1185 CA ARG A 76 -12.678 -0.778 8.139 1.00 0.00 C ATOM 1186 C ARG A 76 -13.021 -0.708 6.641 1.00 0.00 C ATOM 1187 O ARG A 76 -12.492 -1.493 5.854 1.00 0.00 O ATOM 1188 CB ARG A 76 -13.671 -1.691 8.892 1.00 0.00 C ATOM 1189 CG ARG A 76 -13.109 -2.336 10.173 1.00 0.00 C ATOM 1190 CD ARG A 76 -12.721 -1.352 11.287 1.00 0.00 C ATOM 1191 NE ARG A 76 -12.404 -2.057 12.545 1.00 0.00 N ATOM 1192 CZ ARG A 76 -11.251 -2.623 12.889 1.00 0.00 C ATOM 1193 NH1 ARG A 76 -10.201 -2.634 12.091 1.00 0.00 N ATOM 1194 NH2 ARG A 76 -11.140 -3.202 14.065 1.00 0.00 N ATOM 0 H ARG A 76 -13.344 0.688 9.490 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.678 -1.207 8.212 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.554 -1.107 9.153 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -13.999 -2.482 8.217 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -13.851 -3.030 10.566 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.231 -2.925 9.909 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -11.859 -0.764 10.971 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.539 -0.652 11.457 1.00 0.00 H new ATOM 0 HE ARG A 76 -13.157 -2.117 13.230 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.255 -2.197 11.171 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.335 -3.079 12.394 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.935 -3.214 14.704 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.259 -3.639 14.337 1.00 0.00 H new ATOM 1208 N ARG A 77 -13.833 0.278 6.225 1.00 0.00 N ATOM 1209 CA ARG A 77 -14.114 0.562 4.806 1.00 0.00 C ATOM 1210 C ARG A 77 -12.845 0.953 4.042 1.00 0.00 C ATOM 1211 O ARG A 77 -12.542 0.343 3.028 1.00 0.00 O ATOM 1212 CB ARG A 77 -15.201 1.650 4.667 1.00 0.00 C ATOM 1213 CG ARG A 77 -16.614 1.190 5.067 1.00 0.00 C ATOM 1214 CD ARG A 77 -17.159 0.070 4.169 1.00 0.00 C ATOM 1215 NE ARG A 77 -18.570 -0.226 4.474 1.00 0.00 N ATOM 1216 CZ ARG A 77 -19.358 -1.075 3.819 1.00 0.00 C ATOM 1217 NH1 ARG A 77 -18.929 -1.776 2.788 1.00 0.00 N ATOM 1218 NH2 ARG A 77 -20.607 -1.229 4.199 1.00 0.00 N ATOM 0 H ARG A 77 -14.317 0.905 6.868 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.491 -0.357 4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -14.923 2.506 5.282 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -15.223 1.995 3.633 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.598 0.844 6.100 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -17.292 2.042 5.027 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -17.065 0.362 3.123 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -16.560 -0.830 4.304 1.00 0.00 H new ATOM 0 HE ARG A 77 -18.983 0.268 5.265 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -17.965 -1.676 2.469 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -19.561 -2.418 2.309 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -20.968 -0.699 4.992 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -21.215 -1.878 3.700 1.00 0.00 H new ATOM 1232 N ALA A 78 -12.043 1.901 4.521 1.00 0.00 N ATOM 1233 CA ALA A 78 -10.835 2.330 3.799 1.00 0.00 C ATOM 1234 C ALA A 78 -9.772 1.219 3.692 1.00 0.00 C ATOM 1235 O ALA A 78 -9.186 1.031 2.626 1.00 0.00 O ATOM 1236 CB ALA A 78 -10.311 3.597 4.467 1.00 0.00 C ATOM 0 H ALA A 78 -12.202 2.389 5.403 1.00 0.00 H new ATOM 0 HA ALA A 78 -11.091 2.549 2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.414 3.937 3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.073 4.375 4.420 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.071 3.386 5.509 1.00 0.00 H new ATOM 1242 N ALA A 79 -9.604 0.405 4.741 1.00 0.00 N ATOM 1243 CA ALA A 79 -8.772 -0.806 4.691 1.00 0.00 C ATOM 1244 C ALA A 79 -9.216 -1.787 3.582 1.00 0.00 C ATOM 1245 O ALA A 79 -8.376 -2.417 2.936 1.00 0.00 O ATOM 1246 CB ALA A 79 -8.797 -1.458 6.079 1.00 0.00 C ATOM 0 H ALA A 79 -10.040 0.566 5.649 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.750 -0.529 4.431 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.186 -2.360 6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.400 -0.760 6.816 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.823 -1.718 6.341 1.00 0.00 H new ATOM 1252 N ALA A 80 -10.525 -1.864 3.312 1.00 0.00 N ATOM 1253 CA ALA A 80 -11.111 -2.648 2.222 1.00 0.00 C ATOM 1254 C ALA A 80 -10.933 -1.989 0.853 1.00 0.00 C ATOM 1255 O ALA A 80 -10.612 -2.675 -0.113 1.00 0.00 O ATOM 1256 CB ALA A 80 -12.605 -2.823 2.499 1.00 0.00 C ATOM 0 H ALA A 80 -11.225 -1.367 3.863 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.593 -3.606 2.188 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.058 -3.405 1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -12.741 -3.344 3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -13.082 -1.845 2.552 1.00 0.00 H new ATOM 1262 N GLN A 81 -11.129 -0.671 0.747 1.00 0.00 N ATOM 1263 CA GLN A 81 -11.022 0.045 -0.530 1.00 0.00 C ATOM 1264 C GLN A 81 -9.601 -0.076 -1.111 1.00 0.00 C ATOM 1265 O GLN A 81 -9.462 -0.213 -2.323 1.00 0.00 O ATOM 1266 CB GLN A 81 -11.465 1.513 -0.389 1.00 0.00 C ATOM 1267 CG GLN A 81 -12.947 1.726 -0.029 1.00 0.00 C ATOM 1268 CD GLN A 81 -13.382 3.198 0.000 1.00 0.00 C ATOM 1269 OE1 GLN A 81 -12.661 4.117 -0.372 1.00 0.00 O ATOM 1270 NE2 GLN A 81 -14.585 3.483 0.462 1.00 0.00 N ATOM 0 H GLN A 81 -11.365 -0.072 1.538 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.704 -0.425 -1.239 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.851 1.988 0.377 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.259 2.028 -1.327 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.565 1.190 -0.750 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.139 1.283 0.948 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.201 2.734 0.777 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.899 4.453 0.504 1.00 0.00 H new ATOM 1279 N ILE A 82 -8.545 -0.131 -0.281 1.00 0.00 N ATOM 1280 CA ILE A 82 -7.177 -0.448 -0.754 1.00 0.00 C ATOM 1281 C ILE A 82 -7.083 -1.856 -1.370 1.00 0.00 C ATOM 1282 O ILE A 82 -6.397 -2.026 -2.373 1.00 0.00 O ATOM 1283 CB ILE A 82 -6.155 -0.234 0.390 1.00 0.00 C ATOM 1284 CG1 ILE A 82 -6.075 1.278 0.691 1.00 0.00 C ATOM 1285 CG2 ILE A 82 -4.750 -0.768 0.038 1.00 0.00 C ATOM 1286 CD1 ILE A 82 -5.358 1.624 1.993 1.00 0.00 C ATOM 0 H ILE A 82 -8.608 0.039 0.723 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.929 0.242 -1.561 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.496 -0.793 1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.564 1.774 -0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.086 1.683 0.729 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.074 -0.592 0.875 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.807 -1.838 -0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.375 -0.252 -0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.347 2.706 2.126 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.880 1.161 2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.334 1.253 1.954 1.00 0.00 H new ATOM 1298 N ALA A 83 -7.794 -2.853 -0.836 1.00 0.00 N ATOM 1299 CA ALA A 83 -7.865 -4.191 -1.436 1.00 0.00 C ATOM 1300 C ALA A 83 -8.728 -4.211 -2.715 1.00 0.00 C ATOM 1301 O ALA A 83 -8.360 -4.863 -3.691 1.00 0.00 O ATOM 1302 CB ALA A 83 -8.361 -5.182 -0.376 1.00 0.00 C ATOM 0 H ALA A 83 -8.336 -2.757 0.023 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.869 -4.492 -1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.418 -6.180 -0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.669 -5.191 0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.349 -4.880 -0.030 1.00 0.00 H new ATOM 1308 N GLN A 84 -9.830 -3.452 -2.758 1.00 0.00 N ATOM 1309 CA GLN A 84 -10.644 -3.274 -3.973 1.00 0.00 C ATOM 1310 C GLN A 84 -9.842 -2.586 -5.093 1.00 0.00 C ATOM 1311 O GLN A 84 -10.014 -2.927 -6.262 1.00 0.00 O ATOM 1312 CB GLN A 84 -11.918 -2.462 -3.669 1.00 0.00 C ATOM 1313 CG GLN A 84 -12.909 -3.131 -2.698 1.00 0.00 C ATOM 1314 CD GLN A 84 -13.493 -4.444 -3.229 1.00 0.00 C ATOM 1315 OE1 GLN A 84 -14.095 -4.505 -4.294 1.00 0.00 O ATOM 1316 NE2 GLN A 84 -13.333 -5.546 -2.522 1.00 0.00 N ATOM 0 H GLN A 84 -10.186 -2.941 -1.950 1.00 0.00 H new ATOM 0 HA GLN A 84 -10.931 -4.268 -4.316 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -11.624 -1.498 -3.255 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -12.434 -2.262 -4.608 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -12.404 -3.324 -1.752 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.724 -2.438 -2.489 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.834 -5.514 -1.633 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.708 -6.431 -2.864 1.00 0.00 H new ATOM 1325 N ALA A 85 -8.915 -1.680 -4.760 1.00 0.00 N ATOM 1326 CA ALA A 85 -8.033 -1.024 -5.728 1.00 0.00 C ATOM 1327 C ALA A 85 -7.083 -2.007 -6.452 1.00 0.00 C ATOM 1328 O ALA A 85 -6.594 -1.690 -7.537 1.00 0.00 O ATOM 1329 CB ALA A 85 -7.268 0.086 -4.996 1.00 0.00 C ATOM 0 H ALA A 85 -8.756 -1.379 -3.798 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.641 -0.596 -6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.602 0.592 -5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.976 0.805 -4.584 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.681 -0.349 -4.187 1.00 0.00 H new ATOM 1335 N LEU A 86 -6.855 -3.203 -5.886 1.00 0.00 N ATOM 1336 CA LEU A 86 -6.103 -4.305 -6.505 1.00 0.00 C ATOM 1337 C LEU A 86 -6.994 -5.231 -7.360 1.00 0.00 C ATOM 1338 O LEU A 86 -6.483 -5.970 -8.202 1.00 0.00 O ATOM 1339 CB LEU A 86 -5.408 -5.131 -5.406 1.00 0.00 C ATOM 1340 CG LEU A 86 -4.560 -4.325 -4.401 1.00 0.00 C ATOM 1341 CD1 LEU A 86 -4.050 -5.252 -3.291 1.00 0.00 C ATOM 1342 CD2 LEU A 86 -3.372 -3.617 -5.062 1.00 0.00 C ATOM 0 H LEU A 86 -7.200 -3.436 -4.955 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.368 -3.859 -7.175 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.170 -5.680 -4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.766 -5.871 -5.884 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.207 -3.553 -3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.452 -4.678 -2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.898 -5.698 -2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.437 -6.040 -3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.811 -3.066 -4.307 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.722 -4.357 -5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.737 -2.925 -5.820 1.00 0.00 H new ATOM 1354 N LEU A 87 -8.319 -5.198 -7.166 1.00 0.00 N ATOM 1355 CA LEU A 87 -9.294 -5.882 -8.029 1.00 0.00 C ATOM 1356 C LEU A 87 -9.671 -5.025 -9.251 1.00 0.00 C ATOM 1357 O LEU A 87 -10.116 -5.564 -10.268 1.00 0.00 O ATOM 1358 CB LEU A 87 -10.547 -6.249 -7.207 1.00 0.00 C ATOM 1359 CG LEU A 87 -10.292 -7.152 -5.981 1.00 0.00 C ATOM 1360 CD1 LEU A 87 -11.624 -7.423 -5.270 1.00 0.00 C ATOM 1361 CD2 LEU A 87 -9.632 -8.487 -6.355 1.00 0.00 C ATOM 0 H LEU A 87 -8.751 -4.689 -6.395 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.835 -6.795 -8.408 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.020 -5.328 -6.867 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.258 -6.749 -7.864 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.601 -6.624 -5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.451 -8.060 -4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.061 -6.479 -4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.308 -7.922 -5.956 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.476 -9.081 -5.454 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.279 -9.033 -7.042 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.672 -8.296 -6.834 1.00 0.00 H new ATOM 1373 N GLY A 88 -9.471 -3.704 -9.167 1.00 0.00 N ATOM 1374 CA GLY A 88 -9.704 -2.744 -10.251 1.00 0.00 C ATOM 1375 C GLY A 88 -8.533 -2.684 -11.236 1.00 0.00 C ATOM 1376 O GLY A 88 -7.369 -2.753 -10.843 1.00 0.00 O ATOM 0 H GLY A 88 -9.131 -3.260 -8.314 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -10.613 -3.018 -10.787 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.870 -1.754 -9.827 1.00 0.00 H new ATOM 1380 N ALA A 89 -8.848 -2.517 -12.526 1.00 0.00 N ATOM 1381 CA ALA A 89 -7.864 -2.423 -13.615 1.00 0.00 C ATOM 1382 C ALA A 89 -7.415 -0.976 -13.929 1.00 0.00 C ATOM 1383 O ALA A 89 -6.545 -0.777 -14.779 1.00 0.00 O ATOM 1384 CB ALA A 89 -8.470 -3.124 -14.839 1.00 0.00 C ATOM 0 H ALA A 89 -9.812 -2.442 -12.850 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.943 -2.917 -13.306 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.768 -3.075 -15.671 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.674 -4.167 -14.597 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.399 -2.628 -15.119 1.00 0.00 H new ATOM 1390 N GLU A 90 -7.992 0.022 -13.252 1.00 0.00 N ATOM 1391 CA GLU A 90 -7.629 1.446 -13.308 1.00 0.00 C ATOM 1392 C GLU A 90 -7.136 1.940 -11.933 1.00 0.00 C ATOM 1393 O GLU A 90 -7.383 1.291 -10.912 1.00 0.00 O ATOM 1394 CB GLU A 90 -8.822 2.282 -13.819 1.00 0.00 C ATOM 1395 CG GLU A 90 -10.085 2.195 -12.948 1.00 0.00 C ATOM 1396 CD GLU A 90 -11.200 3.099 -13.496 1.00 0.00 C ATOM 1397 OE1 GLU A 90 -11.846 2.730 -14.507 1.00 0.00 O ATOM 1398 OE2 GLU A 90 -11.454 4.176 -12.905 1.00 0.00 O ATOM 0 H GLU A 90 -8.769 -0.150 -12.614 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.806 1.571 -14.012 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.515 3.326 -13.887 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.070 1.957 -14.829 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.435 1.163 -12.911 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.846 2.487 -11.925 1.00 0.00 H new ATOM 1405 N GLU A 91 -6.429 3.079 -11.889 1.00 0.00 N ATOM 1406 CA GLU A 91 -5.908 3.628 -10.627 1.00 0.00 C ATOM 1407 C GLU A 91 -7.018 4.051 -9.651 1.00 0.00 C ATOM 1408 O GLU A 91 -8.083 4.547 -10.037 1.00 0.00 O ATOM 1409 CB GLU A 91 -4.886 4.767 -10.831 1.00 0.00 C ATOM 1410 CG GLU A 91 -5.342 5.899 -11.756 1.00 0.00 C ATOM 1411 CD GLU A 91 -4.607 7.214 -11.449 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -5.103 8.005 -10.609 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -3.547 7.477 -12.066 1.00 0.00 O ATOM 0 H GLU A 91 -6.205 3.638 -12.712 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.371 2.798 -10.167 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.642 5.192 -9.857 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.967 4.340 -11.232 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.164 5.616 -12.793 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.416 6.048 -11.647 1.00 0.00 H new ATOM 1420 N ARG A 92 -6.732 3.874 -8.357 1.00 0.00 N ATOM 1421 CA ARG A 92 -7.568 4.312 -7.238 1.00 0.00 C ATOM 1422 C ARG A 92 -6.704 4.818 -6.097 1.00 0.00 C ATOM 1423 O ARG A 92 -5.753 4.154 -5.687 1.00 0.00 O ATOM 1424 CB ARG A 92 -8.446 3.152 -6.716 1.00 0.00 C ATOM 1425 CG ARG A 92 -9.772 2.975 -7.458 1.00 0.00 C ATOM 1426 CD ARG A 92 -10.706 4.181 -7.272 1.00 0.00 C ATOM 1427 NE ARG A 92 -11.928 4.049 -8.085 1.00 0.00 N ATOM 1428 CZ ARG A 92 -12.025 4.213 -9.403 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -10.992 4.484 -10.172 1.00 0.00 N ATOM 1430 NH2 ARG A 92 -13.192 4.101 -9.994 1.00 0.00 N ATOM 0 H ARG A 92 -5.880 3.404 -8.050 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.209 5.115 -7.602 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.879 2.224 -6.786 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.655 3.319 -5.659 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.576 2.830 -8.520 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -10.269 2.074 -7.100 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.976 4.274 -6.220 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.181 5.095 -7.549 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.786 3.808 -7.588 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.062 4.578 -9.763 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.121 4.600 -11.177 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.024 3.888 -9.444 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.267 4.227 -11.003 1.00 0.00 H new ATOM 1444 N LYS A 93 -7.106 5.951 -5.521 1.00 0.00 N ATOM 1445 CA LYS A 93 -6.573 6.449 -4.255 1.00 0.00 C ATOM 1446 C LYS A 93 -7.609 6.456 -3.127 1.00 0.00 C ATOM 1447 O LYS A 93 -8.761 6.845 -3.314 1.00 0.00 O ATOM 1448 CB LYS A 93 -5.809 7.754 -4.436 1.00 0.00 C ATOM 1449 CG LYS A 93 -6.568 8.869 -5.148 1.00 0.00 C ATOM 1450 CD LYS A 93 -5.533 9.786 -5.801 1.00 0.00 C ATOM 1451 CE LYS A 93 -4.977 9.178 -7.101 1.00 0.00 C ATOM 1452 NZ LYS A 93 -5.838 9.433 -8.290 1.00 0.00 N ATOM 0 H LYS A 93 -7.820 6.556 -5.927 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.829 5.731 -3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -5.505 8.116 -3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -4.897 7.546 -4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.242 8.455 -5.899 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.182 9.427 -4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.987 10.753 -6.016 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.715 9.966 -5.104 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.983 9.585 -7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.861 8.102 -6.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.492 8.874 -9.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.818 9.159 -8.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.806 10.444 -8.531 1.00 0.00 H new ATOM 1466 N VAL A 94 -7.164 5.975 -1.970 1.00 0.00 N ATOM 1467 CA VAL A 94 -7.970 5.741 -0.758 1.00 0.00 C ATOM 1468 C VAL A 94 -7.260 6.411 0.414 1.00 0.00 C ATOM 1469 O VAL A 94 -6.039 6.300 0.547 1.00 0.00 O ATOM 1470 CB VAL A 94 -8.181 4.224 -0.506 1.00 0.00 C ATOM 1471 CG1 VAL A 94 -8.897 3.959 0.823 1.00 0.00 C ATOM 1472 CG2 VAL A 94 -8.942 3.604 -1.673 1.00 0.00 C ATOM 0 H VAL A 94 -6.185 5.723 -1.837 1.00 0.00 H new ATOM 0 HA VAL A 94 -8.964 6.171 -0.881 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.200 3.754 -0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.024 2.885 0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.302 4.361 1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.874 4.442 0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.086 2.539 -1.489 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.913 4.090 -1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.372 3.739 -2.592 1.00 0.00 H new ATOM 1482 N GLU A 95 -8.028 7.119 1.241 1.00 0.00 N ATOM 1483 CA GLU A 95 -7.527 7.826 2.415 1.00 0.00 C ATOM 1484 C GLU A 95 -7.783 6.999 3.686 1.00 0.00 C ATOM 1485 O GLU A 95 -8.906 6.548 3.921 1.00 0.00 O ATOM 1486 CB GLU A 95 -8.195 9.209 2.471 1.00 0.00 C ATOM 1487 CG GLU A 95 -7.661 10.101 3.594 1.00 0.00 C ATOM 1488 CD GLU A 95 -8.400 11.450 3.613 1.00 0.00 C ATOM 1489 OE1 GLU A 95 -8.278 12.232 2.639 1.00 0.00 O ATOM 1490 OE2 GLU A 95 -9.120 11.735 4.600 1.00 0.00 O ATOM 0 H GLU A 95 -9.035 7.218 1.110 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.448 7.966 2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -8.048 9.714 1.516 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.269 9.080 2.601 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.784 9.599 4.554 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.593 10.268 3.456 1.00 0.00 H new ATOM 1497 N ILE A 96 -6.750 6.786 4.506 1.00 0.00 N ATOM 1498 CA ILE A 96 -6.763 5.830 5.633 1.00 0.00 C ATOM 1499 C ILE A 96 -5.817 6.276 6.760 1.00 0.00 C ATOM 1500 O ILE A 96 -4.795 6.898 6.491 1.00 0.00 O ATOM 1501 CB ILE A 96 -6.421 4.412 5.095 1.00 0.00 C ATOM 1502 CG1 ILE A 96 -6.631 3.338 6.181 1.00 0.00 C ATOM 1503 CG2 ILE A 96 -5.004 4.341 4.493 1.00 0.00 C ATOM 1504 CD1 ILE A 96 -6.526 1.897 5.670 1.00 0.00 C ATOM 0 H ILE A 96 -5.862 7.279 4.409 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.758 5.801 6.076 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.116 4.203 4.281 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.893 3.486 6.970 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.613 3.481 6.632 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.813 3.331 4.131 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.925 5.044 3.664 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.271 4.598 5.257 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.686 1.205 6.497 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.282 1.727 4.903 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.535 1.733 5.246 1.00 0.00 H new ATOM 1516 N ALA A 97 -6.117 5.967 8.027 1.00 0.00 N ATOM 1517 CA ALA A 97 -5.185 6.231 9.128 1.00 0.00 C ATOM 1518 C ALA A 97 -4.095 5.144 9.212 1.00 0.00 C ATOM 1519 O ALA A 97 -4.412 3.961 9.343 1.00 0.00 O ATOM 1520 CB ALA A 97 -5.969 6.394 10.439 1.00 0.00 C ATOM 0 H ALA A 97 -6.995 5.535 8.314 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.658 7.166 8.939 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.275 6.590 11.256 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.665 7.228 10.346 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.525 5.480 10.647 1.00 0.00 H new ATOM 1526 N PHE A 98 -2.825 5.555 9.159 1.00 0.00 N ATOM 1527 CA PHE A 98 -1.641 4.718 9.377 1.00 0.00 C ATOM 1528 C PHE A 98 -0.996 5.046 10.732 1.00 0.00 C ATOM 1529 O PHE A 98 -0.823 6.211 11.094 1.00 0.00 O ATOM 1530 CB PHE A 98 -0.618 4.944 8.246 1.00 0.00 C ATOM 1531 CG PHE A 98 -0.793 4.181 6.939 1.00 0.00 C ATOM 1532 CD1 PHE A 98 -1.928 3.389 6.664 1.00 0.00 C ATOM 1533 CD2 PHE A 98 0.246 4.244 5.989 1.00 0.00 C ATOM 1534 CE1 PHE A 98 -2.008 2.656 5.465 1.00 0.00 C ATOM 1535 CE2 PHE A 98 0.165 3.513 4.790 1.00 0.00 C ATOM 1536 CZ PHE A 98 -0.961 2.714 4.529 1.00 0.00 C ATOM 0 H PHE A 98 -2.583 6.524 8.954 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.951 3.673 9.377 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.616 6.008 8.010 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.369 4.703 8.640 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.739 3.345 7.376 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.112 4.859 6.183 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.877 2.047 5.264 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.968 3.566 4.070 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.022 2.146 3.612 1.00 0.00 H new ATOM 1546 N TYR A 99 -0.601 3.998 11.458 1.00 0.00 N ATOM 1547 CA TYR A 99 0.091 4.064 12.749 1.00 0.00 C ATOM 1548 C TYR A 99 1.604 3.810 12.578 1.00 0.00 C ATOM 1549 O TYR A 99 2.013 2.823 11.958 1.00 0.00 O ATOM 1550 CB TYR A 99 -0.560 3.036 13.684 1.00 0.00 C ATOM 1551 CG TYR A 99 -0.235 3.219 15.152 1.00 0.00 C ATOM 1552 CD1 TYR A 99 -1.063 4.030 15.951 1.00 0.00 C ATOM 1553 CD2 TYR A 99 0.866 2.554 15.727 1.00 0.00 C ATOM 1554 CE1 TYR A 99 -0.802 4.172 17.327 1.00 0.00 C ATOM 1555 CE2 TYR A 99 1.132 2.691 17.102 1.00 0.00 C ATOM 1556 CZ TYR A 99 0.295 3.497 17.908 1.00 0.00 C ATOM 1557 OH TYR A 99 0.545 3.610 19.244 1.00 0.00 O ATOM 0 H TYR A 99 -0.761 3.039 11.150 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.004 5.060 13.182 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -1.642 3.083 13.557 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.247 2.038 13.378 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.902 4.545 15.507 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.506 1.939 15.112 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.439 4.795 17.937 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.976 2.180 17.542 1.00 0.00 H new ATOM 0 HH TYR A 99 1.336 3.080 19.475 1.00 0.00 H new ATOM 1567 N ARG A 100 2.436 4.706 13.119 1.00 0.00 N ATOM 1568 CA ARG A 100 3.899 4.722 12.987 1.00 0.00 C ATOM 1569 C ARG A 100 4.577 4.010 14.170 1.00 0.00 C ATOM 1570 O ARG A 100 4.040 3.974 15.277 1.00 0.00 O ATOM 1571 CB ARG A 100 4.336 6.193 12.836 1.00 0.00 C ATOM 1572 CG ARG A 100 5.821 6.396 12.488 1.00 0.00 C ATOM 1573 CD ARG A 100 6.168 7.847 12.131 1.00 0.00 C ATOM 1574 NE ARG A 100 5.999 8.749 13.280 1.00 0.00 N ATOM 1575 CZ ARG A 100 6.037 10.073 13.270 1.00 0.00 C ATOM 1576 NH1 ARG A 100 6.153 10.771 12.157 1.00 0.00 N ATOM 1577 NH2 ARG A 100 5.960 10.713 14.412 1.00 0.00 N ATOM 0 H ARG A 100 2.092 5.478 13.689 1.00 0.00 H new ATOM 0 HA ARG A 100 4.214 4.165 12.105 1.00 0.00 H new ATOM 0 HB2 ARG A 100 3.729 6.659 12.060 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.121 6.718 13.767 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.432 6.081 13.334 1.00 0.00 H new ATOM 0 HG3 ARG A 100 6.082 5.750 11.649 1.00 0.00 H new ATOM 0 HD2 ARG A 100 7.198 7.898 11.778 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.533 8.181 11.311 1.00 0.00 H new ATOM 0 HE ARG A 100 5.834 8.306 14.184 1.00 0.00 H new ATOM 0 HH11 ARG A 100 6.217 10.292 11.259 1.00 0.00 H new ATOM 0 HH12 ARG A 100 6.178 11.790 12.194 1.00 0.00 H new ATOM 0 HH21 ARG A 100 5.873 10.191 15.284 1.00 0.00 H new ATOM 0 HH22 ARG A 100 5.987 11.733 14.428 1.00 0.00 H new ATOM 1591 N LYS A 101 5.775 3.454 13.952 1.00 0.00 N ATOM 1592 CA LYS A 101 6.516 2.638 14.941 1.00 0.00 C ATOM 1593 C LYS A 101 6.859 3.363 16.265 1.00 0.00 C ATOM 1594 O LYS A 101 7.065 2.706 17.287 1.00 0.00 O ATOM 1595 CB LYS A 101 7.806 2.082 14.288 1.00 0.00 C ATOM 1596 CG LYS A 101 7.710 0.609 13.861 1.00 0.00 C ATOM 1597 CD LYS A 101 6.892 0.407 12.579 1.00 0.00 C ATOM 1598 CE LYS A 101 6.731 -1.077 12.209 1.00 0.00 C ATOM 1599 NZ LYS A 101 5.865 -1.830 13.162 1.00 0.00 N ATOM 0 H LYS A 101 6.272 3.557 13.067 1.00 0.00 H new ATOM 0 HA LYS A 101 5.840 1.832 15.227 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.048 2.687 13.414 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.632 2.192 14.990 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.715 0.214 13.710 1.00 0.00 H new ATOM 0 HG3 LYS A 101 7.259 0.032 14.668 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.907 0.855 12.707 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.377 0.932 11.756 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.308 -1.151 11.207 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.715 -1.545 12.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 5.755 -2.810 12.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.305 -1.831 14.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.931 -1.375 13.216 1.00 0.00 H new ATOM 1613 N ASP A 102 6.906 4.698 16.265 1.00 0.00 N ATOM 1614 CA ASP A 102 7.154 5.529 17.457 1.00 0.00 C ATOM 1615 C ASP A 102 5.915 5.728 18.354 1.00 0.00 C ATOM 1616 O ASP A 102 6.035 6.196 19.488 1.00 0.00 O ATOM 1617 CB ASP A 102 7.707 6.889 17.009 1.00 0.00 C ATOM 1618 CG ASP A 102 6.658 7.840 16.410 1.00 0.00 C ATOM 1619 OD1 ASP A 102 5.720 7.365 15.725 1.00 0.00 O ATOM 1620 OD2 ASP A 102 6.815 9.071 16.572 1.00 0.00 O ATOM 0 H ASP A 102 6.770 5.249 15.418 1.00 0.00 H new ATOM 0 HA ASP A 102 7.878 4.994 18.072 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.174 7.377 17.865 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.491 6.722 16.270 1.00 0.00 H new ATOM 1625 N GLY A 103 4.733 5.376 17.837 1.00 0.00 N ATOM 1626 CA GLY A 103 3.429 5.499 18.493 1.00 0.00 C ATOM 1627 C GLY A 103 2.536 6.615 17.939 1.00 0.00 C ATOM 1628 O GLY A 103 1.429 6.798 18.445 1.00 0.00 O ATOM 0 H GLY A 103 4.657 4.977 16.901 1.00 0.00 H new ATOM 0 HA2 GLY A 103 2.900 4.550 18.401 1.00 0.00 H new ATOM 0 HA3 GLY A 103 3.588 5.674 19.557 1.00 0.00 H new ATOM 1632 N SER A 104 2.976 7.368 16.927 1.00 0.00 N ATOM 1633 CA SER A 104 2.145 8.409 16.295 1.00 0.00 C ATOM 1634 C SER A 104 1.143 7.837 15.272 1.00 0.00 C ATOM 1635 O SER A 104 1.323 6.740 14.741 1.00 0.00 O ATOM 1636 CB SER A 104 3.024 9.475 15.619 1.00 0.00 C ATOM 1637 OG SER A 104 3.792 10.212 16.567 1.00 0.00 O ATOM 0 H SER A 104 3.908 7.279 16.522 1.00 0.00 H new ATOM 0 HA SER A 104 1.567 8.866 17.098 1.00 0.00 H new ATOM 0 HB2 SER A 104 3.693 8.994 14.905 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.393 10.160 15.053 1.00 0.00 H new ATOM 0 HG SER A 104 4.082 11.058 16.166 1.00 0.00 H new ATOM 1643 N CYS A 105 0.093 8.605 14.953 1.00 0.00 N ATOM 1644 CA CYS A 105 -0.925 8.262 13.952 1.00 0.00 C ATOM 1645 C CYS A 105 -1.247 9.481 13.068 1.00 0.00 C ATOM 1646 O CYS A 105 -1.114 10.626 13.506 1.00 0.00 O ATOM 1647 CB CYS A 105 -2.150 7.717 14.707 1.00 0.00 C ATOM 1648 SG CYS A 105 -3.320 6.913 13.570 1.00 0.00 S ATOM 0 H CYS A 105 -0.076 9.508 15.397 1.00 0.00 H new ATOM 0 HA CYS A 105 -0.568 7.493 13.267 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -1.826 7.003 15.464 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -2.650 8.532 15.231 1.00 0.00 H new ATOM 0 HG CYS A 105 -2.685 6.502 12.513 1.00 0.00 H new ATOM 1654 N PHE A 106 -1.676 9.235 11.828 1.00 0.00 N ATOM 1655 CA PHE A 106 -1.956 10.254 10.807 1.00 0.00 C ATOM 1656 C PHE A 106 -2.726 9.660 9.625 1.00 0.00 C ATOM 1657 O PHE A 106 -2.717 8.450 9.407 1.00 0.00 O ATOM 1658 CB PHE A 106 -0.643 10.914 10.334 1.00 0.00 C ATOM 1659 CG PHE A 106 0.465 9.939 9.981 1.00 0.00 C ATOM 1660 CD1 PHE A 106 0.410 9.182 8.795 1.00 0.00 C ATOM 1661 CD2 PHE A 106 1.543 9.768 10.870 1.00 0.00 C ATOM 1662 CE1 PHE A 106 1.411 8.233 8.518 1.00 0.00 C ATOM 1663 CE2 PHE A 106 2.550 8.834 10.582 1.00 0.00 C ATOM 1664 CZ PHE A 106 2.478 8.053 9.415 1.00 0.00 C ATOM 0 H PHE A 106 -1.845 8.287 11.493 1.00 0.00 H new ATOM 0 HA PHE A 106 -2.587 11.021 11.257 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.856 11.532 9.462 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -0.285 11.582 11.118 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -0.401 9.330 8.097 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.595 10.356 11.774 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.359 7.642 7.615 1.00 0.00 H new ATOM 0 HE2 PHE A 106 3.383 8.715 11.259 1.00 0.00 H new ATOM 0 HZ PHE A 106 3.241 7.317 9.208 1.00 0.00 H new ATOM 1674 N LEU A 107 -3.365 10.522 8.834 1.00 0.00 N ATOM 1675 CA LEU A 107 -4.018 10.149 7.581 1.00 0.00 C ATOM 1676 C LEU A 107 -3.000 10.029 6.442 1.00 0.00 C ATOM 1677 O LEU A 107 -2.344 11.001 6.059 1.00 0.00 O ATOM 1678 CB LEU A 107 -5.109 11.173 7.218 1.00 0.00 C ATOM 1679 CG LEU A 107 -6.520 10.948 7.798 1.00 0.00 C ATOM 1680 CD1 LEU A 107 -7.052 9.524 7.581 1.00 0.00 C ATOM 1681 CD2 LEU A 107 -6.585 11.295 9.288 1.00 0.00 C ATOM 0 H LEU A 107 -3.444 11.516 9.050 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.484 9.174 7.722 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.767 12.157 7.539 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.193 11.204 6.132 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.164 11.627 7.240 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.048 9.438 8.014 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.101 9.313 6.513 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.384 8.809 8.062 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -7.596 11.123 9.658 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.885 10.667 9.839 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.321 12.343 9.429 1.00 0.00 H new ATOM 1693 N CYS A 108 -2.943 8.840 5.855 1.00 0.00 N ATOM 1694 CA CYS A 108 -2.205 8.503 4.646 1.00 0.00 C ATOM 1695 C CYS A 108 -3.159 8.416 3.441 1.00 0.00 C ATOM 1696 O CYS A 108 -4.232 7.810 3.508 1.00 0.00 O ATOM 1697 CB CYS A 108 -1.486 7.170 4.895 1.00 0.00 C ATOM 1698 SG CYS A 108 -0.397 6.797 3.493 1.00 0.00 S ATOM 0 H CYS A 108 -3.442 8.036 6.235 1.00 0.00 H new ATOM 0 HA CYS A 108 -1.472 9.275 4.412 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -0.905 7.225 5.816 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -2.215 6.370 5.025 1.00 0.00 H new ATOM 0 HG CYS A 108 0.055 5.584 3.606 1.00 0.00 H new ATOM 1704 N LEU A 109 -2.750 8.998 2.320 1.00 0.00 N ATOM 1705 CA LEU A 109 -3.298 8.759 0.990 1.00 0.00 C ATOM 1706 C LEU A 109 -2.509 7.594 0.382 1.00 0.00 C ATOM 1707 O LEU A 109 -1.311 7.736 0.148 1.00 0.00 O ATOM 1708 CB LEU A 109 -3.144 10.076 0.191 1.00 0.00 C ATOM 1709 CG LEU A 109 -3.843 10.126 -1.187 1.00 0.00 C ATOM 1710 CD1 LEU A 109 -3.941 11.589 -1.646 1.00 0.00 C ATOM 1711 CD2 LEU A 109 -3.085 9.326 -2.256 1.00 0.00 C ATOM 0 H LEU A 109 -1.992 9.681 2.313 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.354 8.488 0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.530 10.893 0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.081 10.264 0.042 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.831 9.679 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.433 11.633 -2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.520 12.160 -0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.940 12.013 -1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.616 9.393 -3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.081 9.735 -2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.018 8.282 -1.950 1.00 0.00 H new ATOM 1723 N VAL A 110 -3.179 6.470 0.117 1.00 0.00 N ATOM 1724 CA VAL A 110 -2.629 5.344 -0.659 1.00 0.00 C ATOM 1725 C VAL A 110 -3.229 5.390 -2.065 1.00 0.00 C ATOM 1726 O VAL A 110 -4.429 5.163 -2.208 1.00 0.00 O ATOM 1727 CB VAL A 110 -2.928 3.979 0.006 1.00 0.00 C ATOM 1728 CG1 VAL A 110 -2.360 2.827 -0.814 1.00 0.00 C ATOM 1729 CG2 VAL A 110 -2.395 3.925 1.449 1.00 0.00 C ATOM 0 H VAL A 110 -4.134 6.309 0.438 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.544 5.444 -0.701 1.00 0.00 H new ATOM 0 HB VAL A 110 -4.012 3.871 0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.587 1.882 -0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.807 2.833 -1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.279 2.940 -0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.623 2.952 1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.316 4.077 1.444 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.869 4.708 2.041 1.00 0.00 H new ATOM 1739 N ASP A 111 -2.430 5.685 -3.093 1.00 0.00 N ATOM 1740 CA ASP A 111 -2.788 5.623 -4.502 1.00 0.00 C ATOM 1741 C ASP A 111 -2.212 4.351 -5.120 1.00 0.00 C ATOM 1742 O ASP A 111 -1.000 4.225 -5.239 1.00 0.00 O ATOM 1743 CB ASP A 111 -2.228 6.870 -5.203 1.00 0.00 C ATOM 1744 CG ASP A 111 -2.534 6.914 -6.709 1.00 0.00 C ATOM 1745 OD1 ASP A 111 -3.523 6.277 -7.144 1.00 0.00 O ATOM 1746 OD2 ASP A 111 -1.812 7.640 -7.429 1.00 0.00 O ATOM 0 H ASP A 111 -1.467 5.989 -2.952 1.00 0.00 H new ATOM 0 HA ASP A 111 -3.871 5.600 -4.620 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -2.642 7.760 -4.730 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -1.148 6.905 -5.058 1.00 0.00 H new ATOM 1751 N VAL A 112 -3.058 3.416 -5.537 1.00 0.00 N ATOM 1752 CA VAL A 112 -2.603 2.272 -6.342 1.00 0.00 C ATOM 1753 C VAL A 112 -2.608 2.714 -7.797 1.00 0.00 C ATOM 1754 O VAL A 112 -3.650 3.125 -8.309 1.00 0.00 O ATOM 1755 CB VAL A 112 -3.524 1.056 -6.215 1.00 0.00 C ATOM 1756 CG1 VAL A 112 -3.190 -0.078 -7.198 1.00 0.00 C ATOM 1757 CG2 VAL A 112 -3.560 0.452 -4.812 1.00 0.00 C ATOM 0 H VAL A 112 -4.058 3.421 -5.336 1.00 0.00 H new ATOM 0 HA VAL A 112 -1.615 1.976 -5.989 1.00 0.00 H new ATOM 0 HB VAL A 112 -4.502 1.472 -6.456 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -3.884 -0.905 -7.049 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -3.277 0.289 -8.221 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -2.171 -0.423 -7.022 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -4.234 -0.405 -4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -2.558 0.129 -4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -3.914 1.200 -4.103 1.00 0.00 H new ATOM 1767 N VAL A 113 -1.474 2.548 -8.472 1.00 0.00 N ATOM 1768 CA VAL A 113 -1.364 2.740 -9.921 1.00 0.00 C ATOM 1769 C VAL A 113 -1.074 1.370 -10.555 1.00 0.00 C ATOM 1770 O VAL A 113 -0.040 0.777 -10.238 1.00 0.00 O ATOM 1771 CB VAL A 113 -0.303 3.805 -10.270 1.00 0.00 C ATOM 1772 CG1 VAL A 113 -0.102 3.926 -11.789 1.00 0.00 C ATOM 1773 CG2 VAL A 113 -0.695 5.179 -9.706 1.00 0.00 C ATOM 0 H VAL A 113 -0.597 2.274 -8.029 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.298 3.127 -10.329 1.00 0.00 H new ATOM 0 HB VAL A 113 0.632 3.479 -9.815 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.652 4.685 -11.997 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.228 2.968 -12.190 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.043 4.211 -12.259 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.070 5.911 -9.966 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.651 5.487 -10.130 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -0.782 5.116 -8.621 1.00 0.00 H new ATOM 1783 N PRO A 114 -1.979 0.833 -11.399 1.00 0.00 N ATOM 1784 CA PRO A 114 -1.806 -0.461 -12.043 1.00 0.00 C ATOM 1785 C PRO A 114 -0.762 -0.358 -13.157 1.00 0.00 C ATOM 1786 O PRO A 114 -0.814 0.558 -13.978 1.00 0.00 O ATOM 1787 CB PRO A 114 -3.189 -0.833 -12.591 1.00 0.00 C ATOM 1788 CG PRO A 114 -3.858 0.508 -12.845 1.00 0.00 C ATOM 1789 CD PRO A 114 -3.278 1.396 -11.749 1.00 0.00 C ATOM 0 HA PRO A 114 -1.444 -1.225 -11.355 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -3.111 -1.420 -13.506 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -3.754 -1.432 -11.876 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -3.628 0.892 -13.839 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -4.943 0.437 -12.774 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.173 2.423 -12.098 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -3.937 1.420 -10.881 1.00 0.00 H new ATOM 1797 N VAL A 115 0.165 -1.317 -13.200 1.00 0.00 N ATOM 1798 CA VAL A 115 1.120 -1.470 -14.308 1.00 0.00 C ATOM 1799 C VAL A 115 0.637 -2.618 -15.188 1.00 0.00 C ATOM 1800 O VAL A 115 0.569 -3.763 -14.739 1.00 0.00 O ATOM 1801 CB VAL A 115 2.554 -1.730 -13.795 1.00 0.00 C ATOM 1802 CG1 VAL A 115 3.553 -1.947 -14.942 1.00 0.00 C ATOM 1803 CG2 VAL A 115 3.042 -0.566 -12.919 1.00 0.00 C ATOM 0 H VAL A 115 0.278 -2.015 -12.465 1.00 0.00 H new ATOM 0 HA VAL A 115 1.163 -0.545 -14.883 1.00 0.00 H new ATOM 0 HB VAL A 115 2.508 -2.644 -13.203 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.546 -2.126 -14.530 1.00 0.00 H new ATOM 0 HG12 VAL A 115 3.245 -2.809 -15.534 1.00 0.00 H new ATOM 0 HG13 VAL A 115 3.577 -1.061 -15.576 1.00 0.00 H new ATOM 0 HG21 VAL A 115 4.054 -0.773 -12.570 1.00 0.00 H new ATOM 0 HG22 VAL A 115 3.040 0.354 -13.503 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.378 -0.453 -12.062 1.00 0.00 H new ATOM 1813 N LYS A 116 0.304 -2.314 -16.443 1.00 0.00 N ATOM 1814 CA LYS A 116 -0.014 -3.321 -17.462 1.00 0.00 C ATOM 1815 C LYS A 116 1.238 -3.793 -18.224 1.00 0.00 C ATOM 1816 O LYS A 116 2.267 -3.115 -18.254 1.00 0.00 O ATOM 1817 CB LYS A 116 -1.059 -2.773 -18.449 1.00 0.00 C ATOM 1818 CG LYS A 116 -2.401 -2.556 -17.742 1.00 0.00 C ATOM 1819 CD LYS A 116 -3.527 -2.376 -18.761 1.00 0.00 C ATOM 1820 CE LYS A 116 -4.864 -2.767 -18.121 1.00 0.00 C ATOM 1821 NZ LYS A 116 -5.512 -1.613 -17.435 1.00 0.00 N ATOM 0 H LYS A 116 0.246 -1.355 -16.786 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.426 -4.186 -16.942 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.709 -1.832 -18.874 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -1.186 -3.470 -19.278 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.620 -3.407 -17.098 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -2.341 -1.677 -17.100 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -3.563 -1.341 -19.100 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -3.338 -2.993 -19.640 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -5.534 -3.155 -18.888 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -4.701 -3.571 -17.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -5.681 -1.853 -16.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -4.890 -0.782 -17.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -6.418 -1.399 -17.898 1.00 0.00 H new ATOM 1835 N ASN A 117 1.122 -4.953 -18.873 1.00 0.00 N ATOM 1836 CA ASN A 117 2.131 -5.494 -19.788 1.00 0.00 C ATOM 1837 C ASN A 117 1.781 -5.215 -21.262 1.00 0.00 C ATOM 1838 O ASN A 117 0.784 -4.562 -21.574 1.00 0.00 O ATOM 1839 CB ASN A 117 2.331 -6.992 -19.490 1.00 0.00 C ATOM 1840 CG ASN A 117 1.285 -7.897 -20.127 1.00 0.00 C ATOM 1841 OD1 ASN A 117 1.557 -8.559 -21.116 1.00 0.00 O ATOM 1842 ND2 ASN A 117 0.058 -7.912 -19.642 1.00 0.00 N ATOM 0 H ASN A 117 0.306 -5.557 -18.775 1.00 0.00 H new ATOM 0 HA ASN A 117 3.080 -4.984 -19.620 1.00 0.00 H new ATOM 0 HB2 ASN A 117 3.318 -7.293 -19.841 1.00 0.00 H new ATOM 0 HB3 ASN A 117 2.317 -7.142 -18.410 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -0.662 -8.476 -20.093 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -0.171 -7.359 -18.816 1.00 0.00 H new ATOM 1849 N GLU A 118 2.584 -5.779 -22.161 1.00 0.00 N ATOM 1850 CA GLU A 118 2.436 -5.668 -23.621 1.00 0.00 C ATOM 1851 C GLU A 118 1.101 -6.217 -24.179 1.00 0.00 C ATOM 1852 O GLU A 118 0.675 -5.790 -25.254 1.00 0.00 O ATOM 1853 CB GLU A 118 3.634 -6.341 -24.315 1.00 0.00 C ATOM 1854 CG GLU A 118 3.826 -7.815 -23.930 1.00 0.00 C ATOM 1855 CD GLU A 118 4.921 -8.467 -24.787 1.00 0.00 C ATOM 1856 OE1 GLU A 118 4.616 -8.968 -25.897 1.00 0.00 O ATOM 1857 OE2 GLU A 118 6.099 -8.484 -24.360 1.00 0.00 O ATOM 0 H GLU A 118 3.386 -6.347 -21.889 1.00 0.00 H new ATOM 0 HA GLU A 118 2.416 -4.601 -23.843 1.00 0.00 H new ATOM 0 HB2 GLU A 118 3.502 -6.271 -25.395 1.00 0.00 H new ATOM 0 HB3 GLU A 118 4.541 -5.790 -24.068 1.00 0.00 H new ATOM 0 HG2 GLU A 118 4.092 -7.888 -22.876 1.00 0.00 H new ATOM 0 HG3 GLU A 118 2.888 -8.354 -24.060 1.00 0.00 H new ATOM 1864 N ASP A 119 0.414 -7.121 -23.464 1.00 0.00 N ATOM 1865 CA ASP A 119 -0.894 -7.674 -23.865 1.00 0.00 C ATOM 1866 C ASP A 119 -2.091 -6.862 -23.317 1.00 0.00 C ATOM 1867 O ASP A 119 -3.246 -7.199 -23.588 1.00 0.00 O ATOM 1868 CB ASP A 119 -0.989 -9.150 -23.431 1.00 0.00 C ATOM 1869 CG ASP A 119 -0.057 -10.071 -24.237 1.00 0.00 C ATOM 1870 OD1 ASP A 119 -0.192 -10.124 -25.485 1.00 0.00 O ATOM 1871 OD2 ASP A 119 0.771 -10.787 -23.623 1.00 0.00 O ATOM 0 H ASP A 119 0.754 -7.495 -22.578 1.00 0.00 H new ATOM 0 HA ASP A 119 -0.955 -7.605 -24.951 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -0.743 -9.229 -22.372 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -2.018 -9.492 -23.546 1.00 0.00 H new ATOM 1876 N GLY A 120 -1.832 -5.800 -22.539 1.00 0.00 N ATOM 1877 CA GLY A 120 -2.867 -4.946 -21.939 1.00 0.00 C ATOM 1878 C GLY A 120 -3.587 -5.586 -20.747 1.00 0.00 C ATOM 1879 O GLY A 120 -4.726 -5.220 -20.455 1.00 0.00 O ATOM 0 H GLY A 120 -0.883 -5.507 -22.306 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -2.410 -4.011 -21.615 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -3.603 -4.693 -22.702 1.00 0.00 H new ATOM 1883 N ALA A 121 -2.923 -6.509 -20.041 1.00 0.00 N ATOM 1884 CA ALA A 121 -3.364 -7.063 -18.756 1.00 0.00 C ATOM 1885 C ALA A 121 -2.539 -6.428 -17.637 1.00 0.00 C ATOM 1886 O ALA A 121 -1.354 -6.163 -17.838 1.00 0.00 O ATOM 1887 CB ALA A 121 -3.196 -8.593 -18.747 1.00 0.00 C ATOM 0 H ALA A 121 -2.037 -6.903 -20.358 1.00 0.00 H new ATOM 0 HA ALA A 121 -4.420 -6.840 -18.603 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.527 -8.990 -17.787 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.795 -9.029 -19.546 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.147 -8.845 -18.901 1.00 0.00 H new ATOM 1893 N VAL A 122 -3.129 -6.214 -16.464 1.00 0.00 N ATOM 1894 CA VAL A 122 -2.405 -5.697 -15.289 1.00 0.00 C ATOM 1895 C VAL A 122 -1.590 -6.814 -14.625 1.00 0.00 C ATOM 1896 O VAL A 122 -2.080 -7.919 -14.402 1.00 0.00 O ATOM 1897 CB VAL A 122 -3.332 -4.930 -14.327 1.00 0.00 C ATOM 1898 CG1 VAL A 122 -4.364 -5.833 -13.664 1.00 0.00 C ATOM 1899 CG2 VAL A 122 -2.539 -4.161 -13.269 1.00 0.00 C ATOM 0 H VAL A 122 -4.119 -6.391 -16.294 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.684 -4.951 -15.623 1.00 0.00 H new ATOM 0 HB VAL A 122 -3.873 -4.211 -14.942 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.990 -5.241 -12.997 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -4.986 -6.297 -14.429 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.855 -6.608 -13.091 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -3.228 -3.633 -12.610 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -1.941 -4.859 -12.684 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.882 -3.442 -13.758 1.00 0.00 H new ATOM 1909 N ILE A 123 -0.316 -6.517 -14.359 1.00 0.00 N ATOM 1910 CA ILE A 123 0.708 -7.501 -13.938 1.00 0.00 C ATOM 1911 C ILE A 123 1.442 -7.121 -12.643 1.00 0.00 C ATOM 1912 O ILE A 123 1.969 -7.996 -11.958 1.00 0.00 O ATOM 1913 CB ILE A 123 1.713 -7.709 -15.096 1.00 0.00 C ATOM 1914 CG1 ILE A 123 2.303 -6.361 -15.588 1.00 0.00 C ATOM 1915 CG2 ILE A 123 1.038 -8.480 -16.241 1.00 0.00 C ATOM 1916 CD1 ILE A 123 3.773 -6.405 -15.977 1.00 0.00 C ATOM 0 H ILE A 123 0.050 -5.567 -14.429 1.00 0.00 H new ATOM 0 HA ILE A 123 0.186 -8.431 -13.711 1.00 0.00 H new ATOM 0 HB ILE A 123 2.550 -8.301 -14.725 1.00 0.00 H new ATOM 0 HG12 ILE A 123 1.725 -6.021 -16.448 1.00 0.00 H new ATOM 0 HG13 ILE A 123 2.173 -5.617 -14.802 1.00 0.00 H new ATOM 0 HG21 ILE A 123 1.751 -8.623 -17.053 1.00 0.00 H new ATOM 0 HG22 ILE A 123 0.702 -9.451 -15.877 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.181 -7.913 -16.606 1.00 0.00 H new ATOM 0 HD11 ILE A 123 4.092 -5.416 -16.307 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.368 -6.710 -15.116 1.00 0.00 H new ATOM 0 HD13 ILE A 123 3.914 -7.121 -16.787 1.00 0.00 H new ATOM 1928 N MET A 124 1.437 -5.839 -12.272 1.00 0.00 N ATOM 1929 CA MET A 124 2.013 -5.293 -11.033 1.00 0.00 C ATOM 1930 C MET A 124 1.212 -4.071 -10.573 1.00 0.00 C ATOM 1931 O MET A 124 0.591 -3.381 -11.382 1.00 0.00 O ATOM 1932 CB MET A 124 3.487 -4.899 -11.242 1.00 0.00 C ATOM 1933 CG MET A 124 4.417 -6.085 -11.526 1.00 0.00 C ATOM 1934 SD MET A 124 6.166 -5.651 -11.718 1.00 0.00 S ATOM 1935 CE MET A 124 6.064 -4.617 -13.201 1.00 0.00 C ATOM 0 H MET A 124 1.012 -5.116 -12.852 1.00 0.00 H new ATOM 0 HA MET A 124 1.965 -6.066 -10.266 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.550 -4.195 -12.072 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.842 -4.377 -10.353 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.323 -6.805 -10.713 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.079 -6.584 -12.434 1.00 0.00 H new ATOM 0 HE1 MET A 124 7.013 -4.654 -13.736 1.00 0.00 H new ATOM 0 HE2 MET A 124 5.268 -4.986 -13.848 1.00 0.00 H new ATOM 0 HE3 MET A 124 5.849 -3.588 -12.913 1.00 0.00 H new ATOM 1945 N PHE A 125 1.269 -3.778 -9.277 1.00 0.00 N ATOM 1946 CA PHE A 125 0.679 -2.594 -8.657 1.00 0.00 C ATOM 1947 C PHE A 125 1.778 -1.754 -8.015 1.00 0.00 C ATOM 1948 O PHE A 125 2.607 -2.271 -7.269 1.00 0.00 O ATOM 1949 CB PHE A 125 -0.357 -3.053 -7.620 1.00 0.00 C ATOM 1950 CG PHE A 125 -1.566 -3.720 -8.244 1.00 0.00 C ATOM 1951 CD1 PHE A 125 -2.442 -2.970 -9.052 1.00 0.00 C ATOM 1952 CD2 PHE A 125 -1.806 -5.092 -8.035 1.00 0.00 C ATOM 1953 CE1 PHE A 125 -3.548 -3.591 -9.657 1.00 0.00 C ATOM 1954 CE2 PHE A 125 -2.917 -5.709 -8.638 1.00 0.00 C ATOM 1955 CZ PHE A 125 -3.775 -4.963 -9.464 1.00 0.00 C ATOM 0 H PHE A 125 1.744 -4.380 -8.605 1.00 0.00 H new ATOM 0 HA PHE A 125 0.180 -1.975 -9.402 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.116 -3.747 -6.925 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -0.685 -2.192 -7.037 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -2.264 -1.916 -9.207 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -1.138 -5.669 -7.413 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -4.223 -3.013 -10.270 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -3.111 -6.757 -8.466 1.00 0.00 H new ATOM 0 HZ PHE A 125 -4.610 -5.445 -9.951 1.00 0.00 H new ATOM 1965 N ILE A 126 1.769 -0.449 -8.280 1.00 0.00 N ATOM 1966 CA ILE A 126 2.560 0.527 -7.521 1.00 0.00 C ATOM 1967 C ILE A 126 1.618 1.123 -6.481 1.00 0.00 C ATOM 1968 O ILE A 126 0.645 1.770 -6.867 1.00 0.00 O ATOM 1969 CB ILE A 126 3.166 1.618 -8.438 1.00 0.00 C ATOM 1970 CG1 ILE A 126 3.971 1.007 -9.609 1.00 0.00 C ATOM 1971 CG2 ILE A 126 4.063 2.544 -7.593 1.00 0.00 C ATOM 1972 CD1 ILE A 126 4.392 2.033 -10.668 1.00 0.00 C ATOM 0 H ILE A 126 1.213 -0.034 -9.028 1.00 0.00 H new ATOM 0 HA ILE A 126 3.414 0.047 -7.044 1.00 0.00 H new ATOM 0 HB ILE A 126 2.350 2.191 -8.878 1.00 0.00 H new ATOM 0 HG12 ILE A 126 4.862 0.522 -9.211 1.00 0.00 H new ATOM 0 HG13 ILE A 126 3.371 0.231 -10.085 1.00 0.00 H new ATOM 0 HG21 ILE A 126 4.494 3.315 -8.232 1.00 0.00 H new ATOM 0 HG22 ILE A 126 3.467 3.012 -6.810 1.00 0.00 H new ATOM 0 HG23 ILE A 126 4.864 1.960 -7.139 1.00 0.00 H new ATOM 0 HD11 ILE A 126 4.952 1.532 -11.458 1.00 0.00 H new ATOM 0 HD12 ILE A 126 3.505 2.501 -11.094 1.00 0.00 H new ATOM 0 HD13 ILE A 126 5.019 2.796 -10.206 1.00 0.00 H new ATOM 1984 N LEU A 127 1.881 0.899 -5.194 1.00 0.00 N ATOM 1985 CA LEU A 127 1.175 1.553 -4.089 1.00 0.00 C ATOM 1986 C LEU A 127 1.979 2.800 -3.754 1.00 0.00 C ATOM 1987 O LEU A 127 3.161 2.685 -3.431 1.00 0.00 O ATOM 1988 CB LEU A 127 1.111 0.630 -2.854 1.00 0.00 C ATOM 1989 CG LEU A 127 0.021 -0.453 -2.817 1.00 0.00 C ATOM 1990 CD1 LEU A 127 -1.310 0.137 -2.363 1.00 0.00 C ATOM 1991 CD2 LEU A 127 -0.087 -1.264 -4.116 1.00 0.00 C ATOM 0 H LEU A 127 2.602 0.248 -4.883 1.00 0.00 H new ATOM 0 HA LEU A 127 0.149 1.791 -4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 127 2.077 0.135 -2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 127 0.986 1.260 -1.973 1.00 0.00 H new ATOM 0 HG LEU A 127 0.326 -1.187 -2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -2.068 -0.646 -2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -1.199 0.559 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -1.616 0.921 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -0.877 -2.009 -4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.322 -0.595 -4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 127 0.861 -1.765 -4.312 1.00 0.00 H new ATOM 2003 N ASN A 128 1.362 3.975 -3.835 1.00 0.00 N ATOM 2004 CA ASN A 128 2.043 5.239 -3.510 1.00 0.00 C ATOM 2005 C ASN A 128 1.444 5.882 -2.255 1.00 0.00 C ATOM 2006 O ASN A 128 0.241 6.124 -2.216 1.00 0.00 O ATOM 2007 CB ASN A 128 2.034 6.250 -4.668 1.00 0.00 C ATOM 2008 CG ASN A 128 2.285 5.677 -6.060 1.00 0.00 C ATOM 2009 OD1 ASN A 128 3.355 5.827 -6.637 1.00 0.00 O ATOM 2010 ND2 ASN A 128 1.297 5.041 -6.658 1.00 0.00 N ATOM 0 H ASN A 128 0.390 4.086 -4.123 1.00 0.00 H new ATOM 0 HA ASN A 128 3.084 4.974 -3.322 1.00 0.00 H new ATOM 0 HB2 ASN A 128 1.069 6.756 -4.674 1.00 0.00 H new ATOM 0 HB3 ASN A 128 2.791 7.009 -4.467 1.00 0.00 H new ATOM 0 HD21 ASN A 128 1.424 4.674 -7.601 1.00 0.00 H new ATOM 0 HD22 ASN A 128 0.406 4.916 -6.177 1.00 0.00 H new ATOM 2017 N PHE A 129 2.275 6.169 -1.250 1.00 0.00 N ATOM 2018 CA PHE A 129 1.878 6.733 0.041 1.00 0.00 C ATOM 2019 C PHE A 129 2.212 8.235 0.137 1.00 0.00 C ATOM 2020 O PHE A 129 3.265 8.675 -0.324 1.00 0.00 O ATOM 2021 CB PHE A 129 2.572 5.954 1.176 1.00 0.00 C ATOM 2022 CG PHE A 129 2.405 4.440 1.220 1.00 0.00 C ATOM 2023 CD1 PHE A 129 1.302 3.791 0.629 1.00 0.00 C ATOM 2024 CD2 PHE A 129 3.367 3.674 1.906 1.00 0.00 C ATOM 2025 CE1 PHE A 129 1.166 2.394 0.726 1.00 0.00 C ATOM 2026 CE2 PHE A 129 3.236 2.278 1.993 1.00 0.00 C ATOM 2027 CZ PHE A 129 2.133 1.636 1.405 1.00 0.00 C ATOM 0 H PHE A 129 3.280 6.009 -1.316 1.00 0.00 H new ATOM 0 HA PHE A 129 0.797 6.637 0.137 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.639 6.169 1.123 1.00 0.00 H new ATOM 0 HB3 PHE A 129 2.212 6.356 2.123 1.00 0.00 H new ATOM 0 HD1 PHE A 129 0.558 4.368 0.100 1.00 0.00 H new ATOM 0 HD2 PHE A 129 4.212 4.163 2.369 1.00 0.00 H new ATOM 0 HE1 PHE A 129 0.315 1.903 0.277 1.00 0.00 H new ATOM 0 HE2 PHE A 129 3.984 1.697 2.512 1.00 0.00 H new ATOM 0 HZ PHE A 129 2.030 0.563 1.475 1.00 0.00 H new ATOM 2037 N GLU A 130 1.353 9.008 0.803 1.00 0.00 N ATOM 2038 CA GLU A 130 1.561 10.421 1.150 1.00 0.00 C ATOM 2039 C GLU A 130 0.802 10.742 2.447 1.00 0.00 C ATOM 2040 O GLU A 130 -0.363 10.378 2.567 1.00 0.00 O ATOM 2041 CB GLU A 130 1.027 11.340 0.023 1.00 0.00 C ATOM 2042 CG GLU A 130 2.099 11.733 -1.005 1.00 0.00 C ATOM 2043 CD GLU A 130 1.574 12.787 -1.997 1.00 0.00 C ATOM 2044 OE1 GLU A 130 0.765 12.435 -2.890 1.00 0.00 O ATOM 2045 OE2 GLU A 130 2.008 13.964 -1.909 1.00 0.00 O ATOM 0 H GLU A 130 0.454 8.655 1.131 1.00 0.00 H new ATOM 0 HA GLU A 130 2.629 10.595 1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 130 0.210 10.834 -0.491 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.612 12.245 0.468 1.00 0.00 H new ATOM 0 HG2 GLU A 130 2.974 12.124 -0.487 1.00 0.00 H new ATOM 0 HG3 GLU A 130 2.422 10.847 -1.552 1.00 0.00 H new ATOM 2052 N VAL A 131 1.402 11.464 3.401 1.00 0.00 N ATOM 2053 CA VAL A 131 0.662 11.951 4.585 1.00 0.00 C ATOM 2054 C VAL A 131 -0.207 13.137 4.159 1.00 0.00 C ATOM 2055 O VAL A 131 0.320 14.175 3.756 1.00 0.00 O ATOM 2056 CB VAL A 131 1.578 12.332 5.774 1.00 0.00 C ATOM 2057 CG1 VAL A 131 0.749 12.805 6.984 1.00 0.00 C ATOM 2058 CG2 VAL A 131 2.436 11.135 6.205 1.00 0.00 C ATOM 0 H VAL A 131 2.388 11.725 3.383 1.00 0.00 H new ATOM 0 HA VAL A 131 0.042 11.133 4.953 1.00 0.00 H new ATOM 0 HB VAL A 131 2.222 13.144 5.437 1.00 0.00 H new ATOM 0 HG11 VAL A 131 1.418 13.066 7.804 1.00 0.00 H new ATOM 0 HG12 VAL A 131 0.161 13.679 6.703 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.080 12.005 7.302 1.00 0.00 H new ATOM 0 HG21 VAL A 131 3.072 11.425 7.041 1.00 0.00 H new ATOM 0 HG22 VAL A 131 1.788 10.314 6.510 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.059 10.815 5.370 1.00 0.00 H new ATOM 2068 N VAL A 132 -1.532 12.975 4.244 1.00 0.00 N ATOM 2069 CA VAL A 132 -2.509 14.010 3.843 1.00 0.00 C ATOM 2070 C VAL A 132 -2.936 14.907 5.016 1.00 0.00 C ATOM 2071 O VAL A 132 -3.325 16.053 4.799 1.00 0.00 O ATOM 2072 CB VAL A 132 -3.730 13.396 3.117 1.00 0.00 C ATOM 2073 CG1 VAL A 132 -4.730 12.735 4.056 1.00 0.00 C ATOM 2074 CG2 VAL A 132 -4.437 14.411 2.206 1.00 0.00 C ATOM 0 H VAL A 132 -1.965 12.120 4.594 1.00 0.00 H new ATOM 0 HA VAL A 132 -1.997 14.657 3.131 1.00 0.00 H new ATOM 0 HB VAL A 132 -3.314 12.606 2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -5.558 12.327 3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -4.239 11.930 4.603 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -5.110 13.474 4.762 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -5.287 13.933 1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -4.788 15.253 2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -3.739 14.768 1.449 1.00 0.00 H new ATOM 2084 N MET A 133 -2.846 14.400 6.255 1.00 0.00 N ATOM 2085 CA MET A 133 -3.278 15.095 7.471 1.00 0.00 C ATOM 2086 C MET A 133 -2.646 14.451 8.714 1.00 0.00 C ATOM 2087 O MET A 133 -2.894 13.283 9.001 1.00 0.00 O ATOM 2088 CB MET A 133 -4.824 15.142 7.510 1.00 0.00 C ATOM 2089 CG MET A 133 -5.403 15.426 8.900 1.00 0.00 C ATOM 2090 SD MET A 133 -7.203 15.633 8.967 1.00 0.00 S ATOM 2091 CE MET A 133 -7.355 17.276 8.221 1.00 0.00 C ATOM 0 H MET A 133 -2.461 13.474 6.440 1.00 0.00 H new ATOM 0 HA MET A 133 -2.928 16.127 7.465 1.00 0.00 H new ATOM 0 HB2 MET A 133 -5.172 15.910 6.819 1.00 0.00 H new ATOM 0 HB3 MET A 133 -5.216 14.190 7.152 1.00 0.00 H new ATOM 0 HG2 MET A 133 -5.124 14.609 9.565 1.00 0.00 H new ATOM 0 HG3 MET A 133 -4.936 16.330 9.292 1.00 0.00 H new ATOM 0 HE1 MET A 133 -8.173 17.817 8.696 1.00 0.00 H new ATOM 0 HE2 MET A 133 -6.425 17.827 8.362 1.00 0.00 H new ATOM 0 HE3 MET A 133 -7.558 17.174 7.155 1.00 0.00 H new ATOM 2101 N GLU A 134 -1.842 15.202 9.468 1.00 0.00 N ATOM 2102 CA GLU A 134 -1.273 14.734 10.738 1.00 0.00 C ATOM 2103 C GLU A 134 -2.300 14.907 11.871 1.00 0.00 C ATOM 2104 O GLU A 134 -2.822 16.007 12.084 1.00 0.00 O ATOM 2105 CB GLU A 134 0.045 15.472 11.018 1.00 0.00 C ATOM 2106 CG GLU A 134 0.793 14.889 12.222 1.00 0.00 C ATOM 2107 CD GLU A 134 2.135 15.608 12.426 1.00 0.00 C ATOM 2108 OE1 GLU A 134 2.166 16.667 13.093 1.00 0.00 O ATOM 2109 OE2 GLU A 134 3.173 15.116 11.920 1.00 0.00 O ATOM 0 H GLU A 134 -1.566 16.151 9.218 1.00 0.00 H new ATOM 0 HA GLU A 134 -1.043 13.670 10.676 1.00 0.00 H new ATOM 0 HB2 GLU A 134 0.683 15.419 10.136 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -0.163 16.527 11.198 1.00 0.00 H new ATOM 0 HG2 GLU A 134 0.182 14.988 13.119 1.00 0.00 H new ATOM 0 HG3 GLU A 134 0.965 13.824 12.069 1.00 0.00 H new ATOM 2116 N LYS A 135 -2.608 13.806 12.572 1.00 0.00 N ATOM 2117 CA LYS A 135 -3.673 13.734 13.590 1.00 0.00 C ATOM 2118 C LYS A 135 -3.271 14.123 15.019 1.00 0.00 C ATOM 2119 O LYS A 135 -4.220 14.418 15.785 1.00 0.00 O ATOM 2120 CB LYS A 135 -4.302 12.329 13.567 1.00 0.00 C ATOM 2121 CG LYS A 135 -5.329 12.169 12.439 1.00 0.00 C ATOM 2122 CD LYS A 135 -6.568 13.068 12.563 1.00 0.00 C ATOM 2123 CE LYS A 135 -7.275 12.934 13.920 1.00 0.00 C ATOM 2124 NZ LYS A 135 -6.886 13.987 14.910 1.00 0.00 N ATOM 2125 OXT LYS A 135 -2.070 14.113 15.375 1.00 0.00 O ATOM 0 H LYS A 135 -2.115 12.922 12.447 1.00 0.00 H new ATOM 0 HA LYS A 135 -4.395 14.500 13.306 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -3.516 11.583 13.448 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -4.784 12.134 14.525 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -4.839 12.379 11.488 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -5.654 11.129 12.407 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -6.272 14.107 12.415 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -7.271 12.820 11.768 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -8.353 12.976 13.763 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -7.052 11.953 14.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -7.426 13.854 15.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -5.869 13.913 15.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -7.092 14.927 14.516 1.00 0.00 H new TER 2139 LYS A 135