USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 922 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 THR OG1 : rot 49:sc= 0.283 USER MOD Set 1.2: A 90 SER OG : rot 55:sc= -3! USER MOD Set 2.1: A 21 SER OG : rot 44:sc= 1.95 USER MOD Set 2.2: A 48 HIS : no HD1:sc= -0.771 K(o=2.2,f=-6.6!) USER MOD Set 2.3: A 82 THR OG1 : rot -119:sc= 1.05 USER MOD Set 3.1: A 73 TYR OH : rot 60:sc= 1.7 USER MOD Set 3.2: A 115 TYR OH : rot -161:sc= 0.32 USER MOD Set 4.1: A 67 ASN : amide:sc= -4.26! K(o=-14!,f=-3.9) USER MOD Set 4.2: A 69 GLN : amide:sc= -3.04! K(o=-14!,f=-3.9) USER MOD Set 4.3: A 71 ASN : amide:sc= -6.46! K(o=-14!,f=-3.9) USER MOD Set 5.1: A 30 MET CE :methyl 145:sc= -2.1! (180deg=-4.12!) USER MOD Set 5.2: A 35 MET CE :methyl -92:sc= -2.72! (180deg=-4.38!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -9.04! C(o=-9!,f=-15!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -10.3! C(o=-10!,f=-7.6!) USER MOD Single : A 13 MET CE :methyl -160:sc= -7.2! (180deg=-9.3!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -64:sc= 0.52 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 38:sc= 0.0241 USER MOD Single : A 27 ASN : amide:sc= -4.49! C(o=-4.5!,f=-4.8!) USER MOD Single : A 28 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.013) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 36 THR OG1 : rot 77:sc= -2.17 USER MOD Single : A 37 GLN : amide:sc= -0.105 K(o=-0.11,f=-0.95) USER MOD Single : A 41 LYS NZ :NH3+ -117:sc= -0.0995 (180deg=-2.42!) USER MOD Single : A 44 ASN : amide:sc= -1.57! C(o=-1.6!,f=-5!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -8.08! C(o=-8.1!,f=-7.3!) USER MOD Single : A 56 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.071) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 164:sc=-0.00674 (180deg=-0.319) USER MOD Single : A 74 LYS NZ :NH3+ -162:sc=-0.00439 (180deg=-0.626) USER MOD Single : A 75 SER OG : rot 114:sc= -0.725 USER MOD Single : A 76 ASN : amide:sc= -4.43! C(o=-4.4!,f=-6.8!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -136:sc= -1.7 (180deg=-2.34!) USER MOD Single : A 80 HIS : no HD1:sc= -0.686 K(o=-0.69,f=-0.17) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0.297 K(o=0.3,f=-3.1!) USER MOD Single : A 97 TYR OH : rot 30:sc= -1.19 USER MOD Single : A 99 THR OG1 : rot 134:sc= 0.967 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HE2:sc= -1.55! C(o=-1.6!,f=-4.8!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= -6.46! C(o=-6.5!,f=-4.5!) USER MOD Single : A 123 SER OG : rot 173:sc= -1.09 USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 4 -4.543 0.169 -7.385 1.00 21.14 N ATOM 50 CA ARG A 4 -5.758 -0.622 -7.538 1.00 62.23 C ATOM 51 C ARG A 4 -5.676 -1.508 -8.778 1.00 34.32 C ATOM 52 O ARG A 4 -5.792 -2.730 -8.688 1.00 63.21 O ATOM 53 CB ARG A 4 -6.980 0.294 -7.632 1.00 64.42 C ATOM 54 CG ARG A 4 -8.304 -0.448 -7.556 1.00 31.31 C ATOM 55 CD ARG A 4 -8.597 -0.921 -6.140 1.00 52.45 C ATOM 56 NE ARG A 4 -9.051 0.170 -5.282 1.00 41.53 N ATOM 57 CZ ARG A 4 -10.315 0.573 -5.212 1.00 2.23 C ATOM 58 NH1 ARG A 4 -11.246 -0.022 -5.944 1.00 64.52 N ATOM 59 NH2 ARG A 4 -10.650 1.573 -4.407 1.00 3.42 N ATOM 0 HA ARG A 4 -5.859 -1.261 -6.661 1.00 62.23 H new ATOM 0 HB2 ARG A 4 -6.937 1.027 -6.826 1.00 64.42 H new ATOM 0 HB3 ARG A 4 -6.937 0.848 -8.570 1.00 64.42 H new ATOM 0 HG2 ARG A 4 -9.108 0.204 -7.897 1.00 31.31 H new ATOM 0 HG3 ARG A 4 -8.282 -1.305 -8.230 1.00 31.31 H new ATOM 0 HD2 ARG A 4 -9.358 -1.701 -6.168 1.00 52.45 H new ATOM 0 HD3 ARG A 4 -7.699 -1.368 -5.714 1.00 52.45 H new ATOM 0 HE ARG A 4 -8.360 0.649 -4.705 1.00 41.53 H new ATOM 0 HH11 ARG A 4 -10.993 -0.792 -6.563 1.00 64.52 H new ATOM 0 HH12 ARG A 4 -12.216 0.290 -5.888 1.00 64.52 H new ATOM 0 HH21 ARG A 4 -9.937 2.033 -3.841 1.00 3.42 H new ATOM 0 HH22 ARG A 4 -11.621 1.882 -4.354 1.00 3.42 H new ATOM 73 N ALA A 5 -5.478 -0.883 -9.934 1.00 24.23 N ATOM 74 CA ALA A 5 -5.379 -1.615 -11.191 1.00 13.43 C ATOM 75 C ALA A 5 -4.497 -2.849 -11.040 1.00 35.52 C ATOM 76 O ALA A 5 -4.601 -3.798 -11.818 1.00 3.01 O ATOM 77 CB ALA A 5 -4.839 -0.709 -12.287 1.00 53.25 C ATOM 0 H ALA A 5 -5.383 0.128 -10.026 1.00 24.23 H new ATOM 0 HA ALA A 5 -6.379 -1.948 -11.469 1.00 13.43 H new ATOM 0 HB1 ALA A 5 -4.770 -1.268 -13.220 1.00 53.25 H new ATOM 0 HB2 ALA A 5 -5.510 0.140 -12.421 1.00 53.25 H new ATOM 0 HB3 ALA A 5 -3.849 -0.348 -12.006 1.00 53.25 H new ATOM 83 N LYS A 6 -3.629 -2.831 -10.034 1.00 73.51 N ATOM 84 CA LYS A 6 -2.729 -3.950 -9.780 1.00 1.31 C ATOM 85 C LYS A 6 -3.513 -5.235 -9.534 1.00 51.22 C ATOM 86 O LYS A 6 -3.197 -6.284 -10.095 1.00 23.33 O ATOM 87 CB LYS A 6 -1.834 -3.647 -8.575 1.00 75.44 C ATOM 88 CG LYS A 6 -0.665 -2.734 -8.900 1.00 52.12 C ATOM 89 CD LYS A 6 0.409 -2.800 -7.827 1.00 71.35 C ATOM 90 CE LYS A 6 1.804 -2.745 -8.431 1.00 72.03 C ATOM 91 NZ LYS A 6 2.495 -4.062 -8.353 1.00 75.04 N ATOM 0 H LYS A 6 -3.530 -2.054 -9.381 1.00 73.51 H new ATOM 0 HA LYS A 6 -2.105 -4.090 -10.663 1.00 1.31 H new ATOM 0 HB2 LYS A 6 -2.437 -3.187 -7.792 1.00 75.44 H new ATOM 0 HB3 LYS A 6 -1.451 -4.585 -8.173 1.00 75.44 H new ATOM 0 HG2 LYS A 6 -0.238 -3.017 -9.862 1.00 52.12 H new ATOM 0 HG3 LYS A 6 -1.020 -1.708 -8.998 1.00 52.12 H new ATOM 0 HD2 LYS A 6 0.280 -1.972 -7.130 1.00 71.35 H new ATOM 0 HD3 LYS A 6 0.296 -3.720 -7.253 1.00 71.35 H new ATOM 0 HE2 LYS A 6 1.736 -2.432 -9.473 1.00 72.03 H new ATOM 0 HE3 LYS A 6 2.396 -1.993 -7.910 1.00 72.03 H new ATOM 0 HZ1 LYS A 6 3.442 -3.983 -8.775 1.00 75.04 H new ATOM 0 HZ2 LYS A 6 2.582 -4.350 -7.357 1.00 75.04 H new ATOM 0 HZ3 LYS A 6 1.943 -4.775 -8.872 1.00 75.04 H new ATOM 105 N LYS A 7 -4.539 -5.145 -8.694 1.00 65.31 N ATOM 106 CA LYS A 7 -5.371 -6.300 -8.376 1.00 4.51 C ATOM 107 C LYS A 7 -5.895 -6.959 -9.647 1.00 71.23 C ATOM 108 O LYS A 7 -5.983 -8.184 -9.732 1.00 63.33 O ATOM 109 CB LYS A 7 -6.543 -5.880 -7.486 1.00 5.52 C ATOM 110 CG LYS A 7 -6.315 -6.157 -6.010 1.00 33.21 C ATOM 111 CD LYS A 7 -5.276 -5.219 -5.420 1.00 0.04 C ATOM 112 CE LYS A 7 -4.852 -5.662 -4.028 1.00 1.13 C ATOM 113 NZ LYS A 7 -3.459 -6.189 -4.014 1.00 34.43 N ATOM 0 H LYS A 7 -4.814 -4.284 -8.221 1.00 65.31 H new ATOM 0 HA LYS A 7 -4.756 -7.023 -7.840 1.00 4.51 H new ATOM 0 HB2 LYS A 7 -6.729 -4.815 -7.623 1.00 5.52 H new ATOM 0 HB3 LYS A 7 -7.441 -6.405 -7.811 1.00 5.52 H new ATOM 0 HG2 LYS A 7 -7.255 -6.047 -5.469 1.00 33.21 H new ATOM 0 HG3 LYS A 7 -5.991 -7.189 -5.879 1.00 33.21 H new ATOM 0 HD2 LYS A 7 -4.404 -5.183 -6.073 1.00 0.04 H new ATOM 0 HD3 LYS A 7 -5.681 -4.208 -5.374 1.00 0.04 H new ATOM 0 HE2 LYS A 7 -4.929 -4.820 -3.340 1.00 1.13 H new ATOM 0 HE3 LYS A 7 -5.535 -6.431 -3.668 1.00 1.13 H new ATOM 0 HZ1 LYS A 7 -3.208 -6.480 -3.048 1.00 34.43 H new ATOM 0 HZ2 LYS A 7 -3.391 -7.008 -4.651 1.00 34.43 H new ATOM 0 HZ3 LYS A 7 -2.804 -5.447 -4.333 1.00 34.43 H new ATOM 127 N PHE A 8 -6.242 -6.139 -10.634 1.00 65.32 N ATOM 128 CA PHE A 8 -6.757 -6.644 -11.902 1.00 1.33 C ATOM 129 C PHE A 8 -5.649 -7.308 -12.714 1.00 21.14 C ATOM 130 O PHE A 8 -5.906 -8.206 -13.515 1.00 15.11 O ATOM 131 CB PHE A 8 -7.385 -5.506 -12.710 1.00 20.31 C ATOM 132 CG PHE A 8 -7.731 -5.893 -14.119 1.00 52.35 C ATOM 133 CD1 PHE A 8 -8.881 -6.616 -14.391 1.00 15.11 C ATOM 134 CD2 PHE A 8 -6.907 -5.532 -15.173 1.00 63.30 C ATOM 135 CE1 PHE A 8 -9.202 -6.973 -15.687 1.00 22.31 C ATOM 136 CE2 PHE A 8 -7.222 -5.887 -16.471 1.00 52.53 C ATOM 137 CZ PHE A 8 -8.372 -6.607 -16.729 1.00 21.25 C ATOM 0 H PHE A 8 -6.176 -5.123 -10.580 1.00 65.32 H new ATOM 0 HA PHE A 8 -7.520 -7.391 -11.684 1.00 1.33 H new ATOM 0 HB2 PHE A 8 -8.288 -5.166 -12.203 1.00 20.31 H new ATOM 0 HB3 PHE A 8 -6.695 -4.663 -12.732 1.00 20.31 H new ATOM 0 HD1 PHE A 8 -9.534 -6.904 -13.581 1.00 15.11 H new ATOM 0 HD2 PHE A 8 -6.008 -4.966 -14.978 1.00 63.30 H new ATOM 0 HE1 PHE A 8 -10.101 -7.538 -15.885 1.00 22.31 H new ATOM 0 HE2 PHE A 8 -6.569 -5.602 -17.283 1.00 52.53 H new ATOM 0 HZ PHE A 8 -8.622 -6.883 -17.743 1.00 21.25 H new ATOM 147 N GLN A 9 -4.416 -6.859 -12.500 1.00 34.22 N ATOM 148 CA GLN A 9 -3.269 -7.409 -13.213 1.00 13.14 C ATOM 149 C GLN A 9 -2.995 -8.845 -12.777 1.00 41.43 C ATOM 150 O GLN A 9 -2.903 -9.749 -13.608 1.00 10.40 O ATOM 151 CB GLN A 9 -2.030 -6.545 -12.972 1.00 14.23 C ATOM 152 CG GLN A 9 -1.853 -5.436 -13.996 1.00 54.13 C ATOM 153 CD GLN A 9 -3.174 -4.863 -14.470 1.00 15.41 C ATOM 154 OE1 GLN A 9 -3.892 -5.489 -15.250 1.00 72.01 O ATOM 155 NE2 GLN A 9 -3.503 -3.665 -13.999 1.00 72.14 N ATOM 0 H GLN A 9 -4.186 -6.117 -11.839 1.00 34.22 H new ATOM 0 HA GLN A 9 -3.501 -7.410 -14.278 1.00 13.14 H new ATOM 0 HB2 GLN A 9 -2.093 -6.103 -11.978 1.00 14.23 H new ATOM 0 HB3 GLN A 9 -1.146 -7.182 -12.982 1.00 14.23 H new ATOM 0 HG2 GLN A 9 -1.250 -4.638 -13.562 1.00 54.13 H new ATOM 0 HG3 GLN A 9 -1.301 -5.822 -14.853 1.00 54.13 H new ATOM 0 HE21 GLN A 9 -2.878 -3.181 -13.354 1.00 72.14 H new ATOM 0 HE22 GLN A 9 -4.381 -3.229 -14.282 1.00 72.14 H new ATOM 164 N ARG A 10 -2.865 -9.047 -11.470 1.00 43.32 N ATOM 165 CA ARG A 10 -2.599 -10.372 -10.925 1.00 31.51 C ATOM 166 C ARG A 10 -3.874 -11.209 -10.885 1.00 74.42 C ATOM 167 O ARG A 10 -3.903 -12.286 -10.289 1.00 43.23 O ATOM 168 CB ARG A 10 -2.007 -10.260 -9.519 1.00 45.40 C ATOM 169 CG ARG A 10 -0.532 -9.890 -9.507 1.00 53.14 C ATOM 170 CD ARG A 10 0.240 -10.713 -8.488 1.00 44.53 C ATOM 171 NE ARG A 10 1.022 -9.872 -7.586 1.00 2.23 N ATOM 172 CZ ARG A 10 1.873 -10.352 -6.686 1.00 33.54 C ATOM 173 NH1 ARG A 10 2.050 -11.661 -6.569 1.00 63.21 N ATOM 174 NH2 ARG A 10 2.548 -9.523 -5.900 1.00 20.30 N ATOM 0 H ARG A 10 -2.940 -8.310 -10.769 1.00 43.32 H new ATOM 0 HA ARG A 10 -1.879 -10.867 -11.577 1.00 31.51 H new ATOM 0 HB2 ARG A 10 -2.565 -9.511 -8.957 1.00 45.40 H new ATOM 0 HB3 ARG A 10 -2.139 -11.210 -9.002 1.00 45.40 H new ATOM 0 HG2 ARG A 10 -0.108 -10.047 -10.499 1.00 53.14 H new ATOM 0 HG3 ARG A 10 -0.423 -8.830 -9.278 1.00 53.14 H new ATOM 0 HD2 ARG A 10 -0.457 -11.318 -7.907 1.00 44.53 H new ATOM 0 HD3 ARG A 10 0.905 -11.403 -9.008 1.00 44.53 H new ATOM 0 HE ARG A 10 0.909 -8.860 -7.651 1.00 2.23 H new ATOM 0 HH11 ARG A 10 1.532 -12.301 -7.171 1.00 63.21 H new ATOM 0 HH12 ARG A 10 2.704 -12.027 -5.877 1.00 63.21 H new ATOM 0 HH21 ARG A 10 2.414 -8.516 -5.986 1.00 20.30 H new ATOM 0 HH22 ARG A 10 3.201 -9.893 -5.209 1.00 20.30 H new ATOM 188 N GLN A 11 -4.926 -10.706 -11.523 1.00 73.41 N ATOM 189 CA GLN A 11 -6.204 -11.408 -11.559 1.00 53.53 C ATOM 190 C GLN A 11 -6.361 -12.187 -12.861 1.00 1.03 C ATOM 191 O GLN A 11 -6.548 -13.404 -12.849 1.00 24.21 O ATOM 192 CB GLN A 11 -7.359 -10.416 -11.403 1.00 25.03 C ATOM 193 CG GLN A 11 -8.278 -10.732 -10.234 1.00 61.30 C ATOM 194 CD GLN A 11 -9.732 -10.429 -10.537 1.00 31.22 C ATOM 195 OE1 GLN A 11 -10.522 -11.333 -10.812 1.00 51.33 O ATOM 196 NE2 GLN A 11 -10.094 -9.153 -10.487 1.00 42.52 N ATOM 0 H GLN A 11 -4.919 -9.816 -12.021 1.00 73.41 H new ATOM 0 HA GLN A 11 -6.225 -12.114 -10.729 1.00 53.53 H new ATOM 0 HB2 GLN A 11 -6.951 -9.414 -11.273 1.00 25.03 H new ATOM 0 HB3 GLN A 11 -7.945 -10.405 -12.322 1.00 25.03 H new ATOM 0 HG2 GLN A 11 -8.177 -11.785 -9.972 1.00 61.30 H new ATOM 0 HG3 GLN A 11 -7.964 -10.155 -9.364 1.00 61.30 H new ATOM 0 HE21 GLN A 11 -9.406 -8.436 -10.255 1.00 42.52 H new ATOM 0 HE22 GLN A 11 -11.060 -8.889 -10.681 1.00 42.52 H new ATOM 205 N HIS A 12 -6.284 -11.478 -13.982 1.00 51.15 N ATOM 206 CA HIS A 12 -6.417 -12.104 -15.293 1.00 53.22 C ATOM 207 C HIS A 12 -5.139 -11.934 -16.109 1.00 12.41 C ATOM 208 O HIS A 12 -4.730 -12.839 -16.834 1.00 65.34 O ATOM 209 CB HIS A 12 -7.603 -11.504 -16.050 1.00 62.10 C ATOM 210 CG HIS A 12 -8.694 -11.004 -15.154 1.00 40.24 C ATOM 211 ND1 HIS A 12 -9.862 -11.701 -14.929 1.00 71.24 N ATOM 212 CD2 HIS A 12 -8.789 -9.868 -14.424 1.00 70.11 C ATOM 213 CE1 HIS A 12 -10.629 -11.015 -14.101 1.00 32.30 C ATOM 214 NE2 HIS A 12 -10.001 -9.899 -13.779 1.00 22.11 N ATOM 0 H HIS A 12 -6.130 -10.470 -14.009 1.00 51.15 H new ATOM 0 HA HIS A 12 -6.592 -13.169 -15.143 1.00 53.22 H new ATOM 0 HB2 HIS A 12 -7.248 -10.681 -16.671 1.00 62.10 H new ATOM 0 HB3 HIS A 12 -8.013 -12.257 -16.723 1.00 62.10 H new ATOM 0 HD2 HIS A 12 -8.049 -9.083 -14.361 1.00 70.11 H new ATOM 0 HE1 HIS A 12 -11.604 -11.316 -13.747 1.00 32.30 H new ATOM 0 HE2 HIS A 12 -10.358 -9.177 -13.153 1.00 22.11 H new ATOM 222 N MET A 13 -4.515 -10.767 -15.985 1.00 22.01 N ATOM 223 CA MET A 13 -3.283 -10.479 -16.711 1.00 30.14 C ATOM 224 C MET A 13 -2.135 -11.343 -16.198 1.00 12.24 C ATOM 225 O MET A 13 -1.560 -11.066 -15.145 1.00 11.11 O ATOM 226 CB MET A 13 -2.922 -8.998 -16.577 1.00 64.54 C ATOM 227 CG MET A 13 -3.942 -8.065 -17.209 1.00 3.35 C ATOM 228 SD MET A 13 -3.706 -7.879 -18.986 1.00 53.45 S ATOM 229 CE MET A 13 -1.951 -7.531 -19.061 1.00 2.40 C ATOM 0 H MET A 13 -4.842 -10.006 -15.389 1.00 22.01 H new ATOM 0 HA MET A 13 -3.447 -10.712 -17.763 1.00 30.14 H new ATOM 0 HB2 MET A 13 -2.822 -8.751 -15.520 1.00 64.54 H new ATOM 0 HB3 MET A 13 -1.950 -8.826 -17.038 1.00 64.54 H new ATOM 0 HG2 MET A 13 -4.945 -8.446 -17.018 1.00 3.35 H new ATOM 0 HG3 MET A 13 -3.877 -7.086 -16.733 1.00 3.35 H new ATOM 0 HE1 MET A 13 -1.716 -7.051 -20.011 1.00 2.40 H new ATOM 0 HE2 MET A 13 -1.676 -6.867 -18.241 1.00 2.40 H new ATOM 0 HE3 MET A 13 -1.391 -8.463 -18.977 1.00 2.40 H new ATOM 239 N ASP A 14 -1.807 -12.389 -16.947 1.00 75.33 N ATOM 240 CA ASP A 14 -0.728 -13.293 -16.568 1.00 64.23 C ATOM 241 C ASP A 14 0.383 -13.281 -17.614 1.00 4.13 C ATOM 242 O ASP A 14 1.213 -14.189 -17.663 1.00 1.22 O ATOM 243 CB ASP A 14 -1.263 -14.715 -16.391 1.00 65.12 C ATOM 244 CG ASP A 14 -1.269 -15.497 -17.690 1.00 23.31 C ATOM 245 OD1 ASP A 14 -2.265 -15.399 -18.437 1.00 45.14 O ATOM 246 OD2 ASP A 14 -0.278 -16.207 -17.959 1.00 65.21 O ATOM 0 H ASP A 14 -2.273 -12.632 -17.821 1.00 75.33 H new ATOM 0 HA ASP A 14 -0.315 -12.948 -15.620 1.00 64.23 H new ATOM 0 HB2 ASP A 14 -0.653 -15.241 -15.657 1.00 65.12 H new ATOM 0 HB3 ASP A 14 -2.276 -14.672 -15.992 1.00 65.12 H new ATOM 251 N SER A 15 0.392 -12.247 -18.449 1.00 0.34 N ATOM 252 CA SER A 15 1.398 -12.119 -19.496 1.00 51.45 C ATOM 253 C SER A 15 2.726 -12.723 -19.051 1.00 70.55 C ATOM 254 O SER A 15 3.449 -13.318 -19.851 1.00 71.12 O ATOM 255 CB SER A 15 1.594 -10.647 -19.868 1.00 35.41 C ATOM 256 OG SER A 15 1.882 -9.866 -18.721 1.00 51.05 O ATOM 0 H SER A 15 -0.286 -11.486 -18.421 1.00 0.34 H new ATOM 0 HA SER A 15 1.046 -12.664 -20.372 1.00 51.45 H new ATOM 0 HB2 SER A 15 2.407 -10.556 -20.588 1.00 35.41 H new ATOM 0 HB3 SER A 15 0.695 -10.268 -20.353 1.00 35.41 H new ATOM 0 HG SER A 15 2.005 -8.930 -18.985 1.00 51.05 H new ATOM 262 N ASP A 16 3.040 -12.567 -17.770 1.00 42.13 N ATOM 263 CA ASP A 16 4.281 -13.098 -17.217 1.00 15.22 C ATOM 264 C ASP A 16 4.603 -14.463 -17.817 1.00 41.30 C ATOM 265 O ASP A 16 5.721 -14.703 -18.272 1.00 24.45 O ATOM 266 CB ASP A 16 4.179 -13.207 -15.695 1.00 21.33 C ATOM 267 CG ASP A 16 5.395 -12.637 -14.991 1.00 31.51 C ATOM 268 OD1 ASP A 16 6.472 -13.264 -15.067 1.00 61.41 O ATOM 269 OD2 ASP A 16 5.269 -11.565 -14.363 1.00 42.01 O ATOM 0 H ASP A 16 2.453 -12.077 -17.095 1.00 42.13 H new ATOM 0 HA ASP A 16 5.088 -12.410 -17.471 1.00 15.22 H new ATOM 0 HB2 ASP A 16 3.286 -12.682 -15.355 1.00 21.33 H new ATOM 0 HB3 ASP A 16 4.059 -14.254 -15.416 1.00 21.33 H new ATOM 274 N SER A 17 3.616 -15.353 -17.814 1.00 41.01 N ATOM 275 CA SER A 17 3.796 -16.696 -18.354 1.00 1.42 C ATOM 276 C SER A 17 3.806 -16.671 -19.879 1.00 75.22 C ATOM 277 O SER A 17 3.616 -15.623 -20.495 1.00 51.44 O ATOM 278 CB SER A 17 2.686 -17.622 -17.854 1.00 60.20 C ATOM 279 OG SER A 17 2.881 -17.964 -16.493 1.00 10.44 O ATOM 0 H SER A 17 2.684 -15.169 -17.444 1.00 41.01 H new ATOM 0 HA SER A 17 4.758 -17.075 -18.008 1.00 1.42 H new ATOM 0 HB2 SER A 17 1.719 -17.134 -17.974 1.00 60.20 H new ATOM 0 HB3 SER A 17 2.663 -18.528 -18.460 1.00 60.20 H new ATOM 0 HG SER A 17 2.157 -18.555 -16.197 1.00 10.44 H new ATOM 285 N SER A 18 4.028 -17.835 -20.482 1.00 52.20 N ATOM 286 CA SER A 18 4.066 -17.948 -21.935 1.00 41.24 C ATOM 287 C SER A 18 2.832 -18.679 -22.456 1.00 45.11 C ATOM 288 O SER A 18 2.094 -19.316 -21.705 1.00 54.20 O ATOM 289 CB SER A 18 5.333 -18.683 -22.378 1.00 0.53 C ATOM 290 OG SER A 18 6.320 -17.771 -22.830 1.00 33.25 O ATOM 0 H SER A 18 4.184 -18.713 -19.986 1.00 52.20 H new ATOM 0 HA SER A 18 4.074 -16.941 -22.353 1.00 41.24 H new ATOM 0 HB2 SER A 18 5.727 -19.268 -21.547 1.00 0.53 H new ATOM 0 HB3 SER A 18 5.090 -19.385 -23.175 1.00 0.53 H new ATOM 0 HG SER A 18 7.120 -18.265 -23.106 1.00 33.25 H new ATOM 296 N PRO A 19 2.603 -18.586 -23.774 1.00 42.04 N ATOM 297 CA PRO A 19 1.460 -19.232 -24.427 1.00 24.13 C ATOM 298 C PRO A 19 1.593 -20.751 -24.458 1.00 1.25 C ATOM 299 O PRO A 19 2.403 -21.328 -23.731 1.00 55.44 O ATOM 300 CB PRO A 19 1.495 -18.663 -25.847 1.00 73.34 C ATOM 301 CG PRO A 19 2.918 -18.283 -26.069 1.00 10.01 C ATOM 302 CD PRO A 19 3.442 -17.843 -24.730 1.00 23.41 C ATOM 0 HA PRO A 19 0.526 -19.039 -23.899 1.00 24.13 H new ATOM 0 HB2 PRO A 19 1.164 -19.401 -26.577 1.00 73.34 H new ATOM 0 HB3 PRO A 19 0.835 -17.801 -25.944 1.00 73.34 H new ATOM 0 HG2 PRO A 19 3.491 -19.126 -26.455 1.00 10.01 H new ATOM 0 HG3 PRO A 19 2.998 -17.481 -26.802 1.00 10.01 H new ATOM 0 HD2 PRO A 19 4.498 -18.087 -24.612 1.00 23.41 H new ATOM 0 HD3 PRO A 19 3.347 -16.766 -24.595 1.00 23.41 H new ATOM 310 N SER A 20 0.793 -21.393 -25.303 1.00 64.10 N ATOM 311 CA SER A 20 0.820 -22.846 -25.426 1.00 14.11 C ATOM 312 C SER A 20 0.348 -23.509 -24.135 1.00 41.22 C ATOM 313 O SER A 20 0.989 -24.429 -23.627 1.00 74.12 O ATOM 314 CB SER A 20 2.231 -23.324 -25.772 1.00 71.23 C ATOM 315 OG SER A 20 2.257 -24.725 -25.984 1.00 30.11 O ATOM 0 H SER A 20 0.118 -20.930 -25.912 1.00 64.10 H new ATOM 0 HA SER A 20 0.141 -23.131 -26.230 1.00 14.11 H new ATOM 0 HB2 SER A 20 2.583 -22.811 -26.667 1.00 71.23 H new ATOM 0 HB3 SER A 20 2.915 -23.062 -24.965 1.00 71.23 H new ATOM 0 HG SER A 20 2.028 -25.186 -25.150 1.00 30.11 H new ATOM 321 N SER A 21 -0.777 -23.034 -23.610 1.00 43.30 N ATOM 322 CA SER A 21 -1.333 -23.577 -22.376 1.00 54.35 C ATOM 323 C SER A 21 -2.529 -24.478 -22.670 1.00 63.15 C ATOM 324 O SER A 21 -3.632 -23.999 -22.934 1.00 45.11 O ATOM 325 CB SER A 21 -1.754 -22.443 -21.439 1.00 45.12 C ATOM 326 OG SER A 21 -2.751 -21.632 -22.035 1.00 13.00 O ATOM 0 H SER A 21 -1.321 -22.275 -24.020 1.00 43.30 H new ATOM 0 HA SER A 21 -0.561 -24.173 -21.890 1.00 54.35 H new ATOM 0 HB2 SER A 21 -2.131 -22.860 -20.505 1.00 45.12 H new ATOM 0 HB3 SER A 21 -0.886 -21.833 -21.189 1.00 45.12 H new ATOM 0 HG SER A 21 -3.418 -22.202 -22.472 1.00 13.00 H new ATOM 332 N SER A 22 -2.301 -25.787 -22.623 1.00 41.31 N ATOM 333 CA SER A 22 -3.357 -26.757 -22.888 1.00 51.40 C ATOM 334 C SER A 22 -3.617 -27.625 -21.661 1.00 33.11 C ATOM 335 O SER A 22 -4.761 -27.970 -21.362 1.00 4.32 O ATOM 336 CB SER A 22 -2.982 -27.638 -24.081 1.00 25.35 C ATOM 337 OG SER A 22 -3.983 -28.609 -24.332 1.00 64.32 O ATOM 0 H SER A 22 -1.394 -26.200 -22.404 1.00 41.31 H new ATOM 0 HA SER A 22 -4.269 -26.209 -23.124 1.00 51.40 H new ATOM 0 HB2 SER A 22 -2.843 -27.017 -24.966 1.00 25.35 H new ATOM 0 HB3 SER A 22 -2.031 -28.133 -23.887 1.00 25.35 H new ATOM 0 HG SER A 22 -3.721 -29.158 -25.100 1.00 64.32 H new ATOM 343 N SER A 23 -2.548 -27.975 -20.954 1.00 64.30 N ATOM 344 CA SER A 23 -2.658 -28.807 -19.761 1.00 53.22 C ATOM 345 C SER A 23 -3.403 -28.070 -18.652 1.00 41.43 C ATOM 346 O SER A 23 -3.972 -27.000 -18.874 1.00 74.42 O ATOM 347 CB SER A 23 -1.269 -29.220 -19.271 1.00 52.10 C ATOM 348 OG SER A 23 -0.980 -30.560 -19.628 1.00 60.34 O ATOM 0 H SER A 23 -1.595 -27.695 -21.186 1.00 64.30 H new ATOM 0 HA SER A 23 -3.223 -29.701 -20.023 1.00 53.22 H new ATOM 0 HB2 SER A 23 -0.517 -28.556 -19.698 1.00 52.10 H new ATOM 0 HB3 SER A 23 -1.214 -29.109 -18.188 1.00 52.10 H new ATOM 0 HG SER A 23 -0.086 -30.799 -19.305 1.00 60.34 H new ATOM 354 N THR A 24 -3.394 -28.649 -17.456 1.00 15.03 N ATOM 355 CA THR A 24 -4.069 -28.049 -16.311 1.00 70.44 C ATOM 356 C THR A 24 -3.410 -26.735 -15.911 1.00 44.54 C ATOM 357 O THR A 24 -3.606 -26.244 -14.799 1.00 43.55 O ATOM 358 CB THR A 24 -4.071 -28.999 -15.099 1.00 24.50 C ATOM 359 OG1 THR A 24 -2.727 -29.252 -14.673 1.00 11.35 O ATOM 360 CG2 THR A 24 -4.754 -30.314 -15.443 1.00 32.33 C ATOM 0 H THR A 24 -2.927 -29.533 -17.254 1.00 15.03 H new ATOM 0 HA THR A 24 -5.098 -27.858 -16.615 1.00 70.44 H new ATOM 0 HB THR A 24 -4.625 -28.520 -14.291 1.00 24.50 H new ATOM 0 HG1 THR A 24 -2.737 -29.855 -13.901 1.00 11.35 H new ATOM 0 HG21 THR A 24 -4.743 -30.969 -14.571 1.00 32.33 H new ATOM 0 HG22 THR A 24 -5.785 -30.122 -15.740 1.00 32.33 H new ATOM 0 HG23 THR A 24 -4.224 -30.795 -16.265 1.00 32.33 H new ATOM 368 N TYR A 25 -2.628 -26.169 -16.824 1.00 40.52 N ATOM 369 CA TYR A 25 -1.938 -24.910 -16.565 1.00 61.44 C ATOM 370 C TYR A 25 -2.828 -23.953 -15.779 1.00 50.54 C ATOM 371 O TYR A 25 -2.339 -23.070 -15.074 1.00 14.34 O ATOM 372 CB TYR A 25 -1.508 -24.260 -17.882 1.00 24.54 C ATOM 373 CG TYR A 25 -1.286 -22.768 -17.776 1.00 74.52 C ATOM 374 CD1 TYR A 25 -2.341 -21.908 -17.496 1.00 72.24 C ATOM 375 CD2 TYR A 25 -0.023 -22.219 -17.957 1.00 54.23 C ATOM 376 CE1 TYR A 25 -2.144 -20.544 -17.400 1.00 32.22 C ATOM 377 CE2 TYR A 25 0.183 -20.856 -17.861 1.00 62.41 C ATOM 378 CZ TYR A 25 -0.880 -20.023 -17.583 1.00 32.35 C ATOM 379 OH TYR A 25 -0.679 -18.665 -17.487 1.00 63.33 O ATOM 0 H TYR A 25 -2.456 -26.562 -17.750 1.00 40.52 H new ATOM 0 HA TYR A 25 -1.052 -25.126 -15.968 1.00 61.44 H new ATOM 0 HB2 TYR A 25 -0.588 -24.732 -18.227 1.00 24.54 H new ATOM 0 HB3 TYR A 25 -2.269 -24.453 -18.638 1.00 24.54 H new ATOM 0 HD1 TYR A 25 -3.332 -22.313 -17.351 1.00 72.24 H new ATOM 0 HD2 TYR A 25 0.812 -22.868 -18.176 1.00 54.23 H new ATOM 0 HE1 TYR A 25 -2.975 -19.889 -17.183 1.00 32.22 H new ATOM 0 HE2 TYR A 25 1.172 -20.445 -18.003 1.00 62.41 H new ATOM 0 HH TYR A 25 -1.239 -18.301 -16.770 1.00 63.33 H new ATOM 389 N CYS A 26 -4.138 -24.134 -15.906 1.00 52.05 N ATOM 390 CA CYS A 26 -5.099 -23.288 -15.209 1.00 51.22 C ATOM 391 C CYS A 26 -5.319 -23.778 -13.781 1.00 15.31 C ATOM 392 O CYS A 26 -5.024 -23.070 -12.819 1.00 34.22 O ATOM 393 CB CYS A 26 -6.430 -23.264 -15.963 1.00 13.30 C ATOM 394 SG CYS A 26 -6.442 -22.166 -17.417 1.00 1.24 S ATOM 0 H CYS A 26 -4.559 -24.860 -16.486 1.00 52.05 H new ATOM 0 HA CYS A 26 -4.694 -22.277 -15.169 1.00 51.22 H new ATOM 0 HB2 CYS A 26 -6.672 -24.277 -16.284 1.00 13.30 H new ATOM 0 HB3 CYS A 26 -7.218 -22.951 -15.278 1.00 13.30 H new ATOM 399 N ASN A 27 -5.840 -24.994 -13.652 1.00 51.21 N ATOM 400 CA ASN A 27 -6.100 -25.579 -12.342 1.00 15.11 C ATOM 401 C ASN A 27 -5.080 -25.094 -11.317 1.00 1.41 C ATOM 402 O ASN A 27 -5.417 -24.851 -10.158 1.00 71.14 O ATOM 403 CB ASN A 27 -6.068 -27.106 -12.427 1.00 31.23 C ATOM 404 CG ASN A 27 -6.378 -27.766 -11.097 1.00 2.23 C ATOM 405 OD1 ASN A 27 -6.569 -27.090 -10.086 1.00 0.04 O ATOM 406 ND2 ASN A 27 -6.428 -29.093 -11.092 1.00 53.22 N ATOM 0 H ASN A 27 -6.090 -25.593 -14.439 1.00 51.21 H new ATOM 0 HA ASN A 27 -7.091 -25.260 -12.020 1.00 15.11 H new ATOM 0 HB2 ASN A 27 -6.789 -27.441 -13.172 1.00 31.23 H new ATOM 0 HB3 ASN A 27 -5.084 -27.428 -12.768 1.00 31.23 H new ATOM 0 HD21 ASN A 27 -6.631 -29.592 -10.226 1.00 53.22 H new ATOM 0 HD22 ASN A 27 -6.263 -29.613 -11.954 1.00 53.22 H new ATOM 413 N GLN A 28 -3.832 -24.954 -11.753 1.00 11.03 N ATOM 414 CA GLN A 28 -2.763 -24.498 -10.873 1.00 3.42 C ATOM 415 C GLN A 28 -2.693 -22.974 -10.845 1.00 73.31 C ATOM 416 O GLN A 28 -2.955 -22.350 -9.817 1.00 73.24 O ATOM 417 CB GLN A 28 -1.420 -25.073 -11.326 1.00 41.04 C ATOM 418 CG GLN A 28 -1.179 -26.499 -10.857 1.00 53.24 C ATOM 419 CD GLN A 28 -0.048 -27.176 -11.605 1.00 62.11 C ATOM 420 OE1 GLN A 28 0.895 -27.685 -10.999 1.00 23.22 O ATOM 421 NE2 GLN A 28 -0.136 -27.186 -12.930 1.00 42.11 N ATOM 0 H GLN A 28 -3.537 -25.150 -12.710 1.00 11.03 H new ATOM 0 HA GLN A 28 -2.981 -24.852 -9.865 1.00 3.42 H new ATOM 0 HB2 GLN A 28 -1.371 -25.044 -12.414 1.00 41.04 H new ATOM 0 HB3 GLN A 28 -0.617 -24.436 -10.953 1.00 41.04 H new ATOM 0 HG2 GLN A 28 -0.952 -26.493 -9.791 1.00 53.24 H new ATOM 0 HG3 GLN A 28 -2.093 -27.079 -10.985 1.00 53.24 H new ATOM 0 HE21 GLN A 28 -0.936 -26.752 -13.391 1.00 42.11 H new ATOM 0 HE22 GLN A 28 0.596 -27.628 -13.486 1.00 42.11 H new ATOM 430 N MET A 29 -2.338 -22.382 -11.981 1.00 33.32 N ATOM 431 CA MET A 29 -2.235 -20.931 -12.086 1.00 74.51 C ATOM 432 C MET A 29 -3.249 -20.247 -11.175 1.00 54.00 C ATOM 433 O MET A 29 -2.880 -19.605 -10.192 1.00 51.34 O ATOM 434 CB MET A 29 -2.452 -20.487 -13.534 1.00 62.20 C ATOM 435 CG MET A 29 -1.158 -20.255 -14.298 1.00 55.31 C ATOM 436 SD MET A 29 -0.063 -19.086 -13.470 1.00 53.34 S ATOM 437 CE MET A 29 1.368 -20.119 -13.167 1.00 71.11 C ATOM 0 H MET A 29 -2.117 -22.884 -12.841 1.00 33.32 H new ATOM 0 HA MET A 29 -1.234 -20.639 -11.770 1.00 74.51 H new ATOM 0 HB2 MET A 29 -3.040 -21.243 -14.053 1.00 62.20 H new ATOM 0 HB3 MET A 29 -3.038 -19.568 -13.540 1.00 62.20 H new ATOM 0 HG2 MET A 29 -0.640 -21.206 -14.424 1.00 55.31 H new ATOM 0 HG3 MET A 29 -1.391 -19.884 -15.296 1.00 55.31 H new ATOM 0 HE1 MET A 29 2.136 -19.536 -12.658 1.00 71.11 H new ATOM 0 HE2 MET A 29 1.081 -20.965 -12.542 1.00 71.11 H new ATOM 0 HE3 MET A 29 1.760 -20.486 -14.116 1.00 71.11 H new ATOM 447 N MET A 30 -4.528 -20.389 -11.508 1.00 51.33 N ATOM 448 CA MET A 30 -5.595 -19.784 -10.719 1.00 23.02 C ATOM 449 C MET A 30 -5.333 -19.959 -9.226 1.00 64.33 C ATOM 450 O MET A 30 -5.584 -19.053 -8.432 1.00 43.20 O ATOM 451 CB MET A 30 -6.945 -20.402 -11.087 1.00 64.45 C ATOM 452 CG MET A 30 -7.749 -19.566 -12.069 1.00 45.43 C ATOM 453 SD MET A 30 -8.623 -18.206 -11.270 1.00 44.02 S ATOM 454 CE MET A 30 -7.307 -17.000 -11.118 1.00 63.35 C ATOM 0 H MET A 30 -4.851 -20.918 -12.319 1.00 51.33 H new ATOM 0 HA MET A 30 -5.619 -18.718 -10.944 1.00 23.02 H new ATOM 0 HB2 MET A 30 -6.778 -21.390 -11.515 1.00 64.45 H new ATOM 0 HB3 MET A 30 -7.530 -20.543 -10.178 1.00 64.45 H new ATOM 0 HG2 MET A 30 -7.081 -19.165 -12.831 1.00 45.43 H new ATOM 0 HG3 MET A 30 -8.469 -20.205 -12.580 1.00 45.43 H new ATOM 0 HE1 MET A 30 -7.715 -15.998 -11.249 1.00 63.35 H new ATOM 0 HE2 MET A 30 -6.852 -17.080 -10.131 1.00 63.35 H new ATOM 0 HE3 MET A 30 -6.552 -17.187 -11.881 1.00 63.35 H new ATOM 464 N ARG A 31 -4.827 -21.130 -8.852 1.00 71.13 N ATOM 465 CA ARG A 31 -4.533 -21.424 -7.455 1.00 2.21 C ATOM 466 C ARG A 31 -3.290 -20.670 -6.991 1.00 63.31 C ATOM 467 O ARG A 31 -3.335 -19.919 -6.017 1.00 3.11 O ATOM 468 CB ARG A 31 -4.333 -22.928 -7.259 1.00 13.11 C ATOM 469 CG ARG A 31 -3.907 -23.307 -5.850 1.00 63.13 C ATOM 470 CD ARG A 31 -4.627 -24.556 -5.367 1.00 70.33 C ATOM 471 NE ARG A 31 -3.814 -25.330 -4.432 1.00 55.41 N ATOM 472 CZ ARG A 31 -2.900 -26.216 -4.811 1.00 53.43 C ATOM 473 NH1 ARG A 31 -2.683 -26.439 -6.100 1.00 51.31 N ATOM 474 NH2 ARG A 31 -2.201 -26.880 -3.900 1.00 63.15 N ATOM 0 H ARG A 31 -4.612 -21.890 -9.497 1.00 71.13 H new ATOM 0 HA ARG A 31 -5.381 -21.096 -6.854 1.00 2.21 H new ATOM 0 HB2 ARG A 31 -5.262 -23.444 -7.500 1.00 13.11 H new ATOM 0 HB3 ARG A 31 -3.581 -23.281 -7.964 1.00 13.11 H new ATOM 0 HG2 ARG A 31 -2.830 -23.475 -5.827 1.00 63.13 H new ATOM 0 HG3 ARG A 31 -4.115 -22.480 -5.171 1.00 63.13 H new ATOM 0 HD2 ARG A 31 -5.562 -24.272 -4.885 1.00 70.33 H new ATOM 0 HD3 ARG A 31 -4.886 -25.179 -6.223 1.00 70.33 H new ATOM 0 HE ARG A 31 -3.956 -25.182 -3.433 1.00 55.41 H new ATOM 0 HH11 ARG A 31 -3.219 -25.930 -6.803 1.00 51.31 H new ATOM 0 HH12 ARG A 31 -1.981 -27.120 -6.389 1.00 51.31 H new ATOM 0 HH21 ARG A 31 -2.365 -26.710 -2.908 1.00 63.15 H new ATOM 0 HH22 ARG A 31 -1.499 -27.560 -4.192 1.00 63.15 H new ATOM 488 N ARG A 32 -2.182 -20.877 -7.695 1.00 24.30 N ATOM 489 CA ARG A 32 -0.926 -20.219 -7.354 1.00 70.14 C ATOM 490 C ARG A 32 -1.143 -18.729 -7.109 1.00 3.24 C ATOM 491 O ARG A 32 -0.393 -18.097 -6.364 1.00 44.14 O ATOM 492 CB ARG A 32 0.099 -20.419 -8.473 1.00 13.24 C ATOM 493 CG ARG A 32 1.328 -21.200 -8.039 1.00 63.24 C ATOM 494 CD ARG A 32 1.204 -22.674 -8.391 1.00 62.35 C ATOM 495 NE ARG A 32 1.683 -23.537 -7.314 1.00 54.52 N ATOM 496 CZ ARG A 32 2.960 -23.859 -7.143 1.00 11.31 C ATOM 497 NH1 ARG A 32 3.882 -23.392 -7.974 1.00 32.03 N ATOM 498 NH2 ARG A 32 3.317 -24.649 -6.139 1.00 2.34 N ATOM 0 H ARG A 32 -2.128 -21.495 -8.505 1.00 24.30 H new ATOM 0 HA ARG A 32 -0.545 -20.669 -6.437 1.00 70.14 H new ATOM 0 HB2 ARG A 32 -0.378 -20.940 -9.303 1.00 13.24 H new ATOM 0 HB3 ARG A 32 0.412 -19.444 -8.847 1.00 13.24 H new ATOM 0 HG2 ARG A 32 2.213 -20.783 -8.519 1.00 63.24 H new ATOM 0 HG3 ARG A 32 1.468 -21.092 -6.963 1.00 63.24 H new ATOM 0 HD2 ARG A 32 0.162 -22.909 -8.607 1.00 62.35 H new ATOM 0 HD3 ARG A 32 1.771 -22.879 -9.299 1.00 62.35 H new ATOM 0 HE ARG A 32 0.999 -23.913 -6.657 1.00 54.52 H new ATOM 0 HH11 ARG A 32 3.611 -22.784 -8.747 1.00 32.03 H new ATOM 0 HH12 ARG A 32 4.862 -23.641 -7.840 1.00 32.03 H new ATOM 0 HH21 ARG A 32 2.611 -25.010 -5.498 1.00 2.34 H new ATOM 0 HH22 ARG A 32 4.298 -24.896 -6.008 1.00 2.34 H new ATOM 512 N ARG A 33 -2.172 -18.174 -7.739 1.00 55.23 N ATOM 513 CA ARG A 33 -2.487 -16.758 -7.590 1.00 44.04 C ATOM 514 C ARG A 33 -3.278 -16.508 -6.310 1.00 24.33 C ATOM 515 O ARG A 33 -3.901 -15.460 -6.148 1.00 74.42 O ATOM 516 CB ARG A 33 -3.282 -16.260 -8.799 1.00 22.42 C ATOM 517 CG ARG A 33 -2.561 -16.451 -10.123 1.00 65.11 C ATOM 518 CD ARG A 33 -1.650 -15.274 -10.436 1.00 23.21 C ATOM 519 NE ARG A 33 -0.513 -15.667 -11.264 1.00 5.03 N ATOM 520 CZ ARG A 33 0.159 -14.822 -12.039 1.00 31.45 C ATOM 521 NH1 ARG A 33 -0.191 -13.545 -12.091 1.00 3.41 N ATOM 522 NH2 ARG A 33 1.183 -15.256 -12.763 1.00 10.43 N ATOM 0 H ARG A 33 -2.803 -18.683 -8.358 1.00 55.23 H new ATOM 0 HA ARG A 33 -1.548 -16.208 -7.529 1.00 44.04 H new ATOM 0 HB2 ARG A 33 -4.237 -16.784 -8.836 1.00 22.42 H new ATOM 0 HB3 ARG A 33 -3.505 -15.201 -8.666 1.00 22.42 H new ATOM 0 HG2 ARG A 33 -1.973 -17.368 -10.090 1.00 65.11 H new ATOM 0 HG3 ARG A 33 -3.292 -16.570 -10.923 1.00 65.11 H new ATOM 0 HD2 ARG A 33 -2.221 -14.500 -10.948 1.00 23.21 H new ATOM 0 HD3 ARG A 33 -1.287 -14.839 -9.505 1.00 23.21 H new ATOM 0 HE ARG A 33 -0.219 -16.643 -11.247 1.00 5.03 H new ATOM 0 HH11 ARG A 33 -0.978 -13.209 -11.535 1.00 3.41 H new ATOM 0 HH12 ARG A 33 0.326 -12.898 -12.687 1.00 3.41 H new ATOM 0 HH21 ARG A 33 1.455 -16.238 -12.725 1.00 10.43 H new ATOM 0 HH22 ARG A 33 1.698 -14.607 -13.358 1.00 10.43 H new ATOM 536 N ASN A 34 -3.247 -17.479 -5.402 1.00 63.15 N ATOM 537 CA ASN A 34 -3.962 -17.365 -4.136 1.00 63.25 C ATOM 538 C ASN A 34 -5.424 -16.996 -4.369 1.00 3.13 C ATOM 539 O ASN A 34 -5.966 -16.116 -3.701 1.00 45.40 O ATOM 540 CB ASN A 34 -3.295 -16.317 -3.243 1.00 31.21 C ATOM 541 CG ASN A 34 -1.879 -16.701 -2.859 1.00 71.02 C ATOM 542 OD1 ASN A 34 -1.617 -17.838 -2.465 1.00 53.34 O ATOM 543 ND2 ASN A 34 -0.958 -15.752 -2.972 1.00 44.44 N ATOM 0 H ASN A 34 -2.735 -18.353 -5.520 1.00 63.15 H new ATOM 0 HA ASN A 34 -3.925 -18.333 -3.637 1.00 63.25 H new ATOM 0 HB2 ASN A 34 -3.281 -15.358 -3.761 1.00 31.21 H new ATOM 0 HB3 ASN A 34 -3.890 -16.182 -2.339 1.00 31.21 H new ATOM 0 HD21 ASN A 34 0.012 -15.951 -2.728 1.00 44.44 H new ATOM 0 HD22 ASN A 34 -1.220 -14.824 -3.303 1.00 44.44 H new ATOM 550 N MET A 35 -6.056 -17.676 -5.320 1.00 11.24 N ATOM 551 CA MET A 35 -7.456 -17.420 -5.639 1.00 30.44 C ATOM 552 C MET A 35 -8.308 -18.659 -5.378 1.00 3.31 C ATOM 553 O MET A 35 -9.495 -18.689 -5.705 1.00 23.13 O ATOM 554 CB MET A 35 -7.598 -16.988 -7.099 1.00 43.13 C ATOM 555 CG MET A 35 -7.807 -15.492 -7.273 1.00 23.33 C ATOM 556 SD MET A 35 -6.255 -14.587 -7.426 1.00 23.25 S ATOM 557 CE MET A 35 -6.381 -13.979 -9.106 1.00 33.34 C ATOM 0 H MET A 35 -5.622 -18.408 -5.883 1.00 11.24 H new ATOM 0 HA MET A 35 -7.809 -16.615 -4.994 1.00 30.44 H new ATOM 0 HB2 MET A 35 -6.704 -17.288 -7.647 1.00 43.13 H new ATOM 0 HB3 MET A 35 -8.439 -17.518 -7.546 1.00 43.13 H new ATOM 0 HG2 MET A 35 -8.415 -15.315 -8.160 1.00 23.33 H new ATOM 0 HG3 MET A 35 -8.366 -15.106 -6.421 1.00 23.33 H new ATOM 0 HE1 MET A 35 -5.913 -14.690 -9.786 1.00 33.34 H new ATOM 0 HE2 MET A 35 -7.431 -13.860 -9.372 1.00 33.34 H new ATOM 0 HE3 MET A 35 -5.876 -13.016 -9.183 1.00 33.34 H new ATOM 567 N THR A 36 -7.694 -19.680 -4.787 1.00 55.14 N ATOM 568 CA THR A 36 -8.396 -20.921 -4.484 1.00 41.13 C ATOM 569 C THR A 36 -8.466 -21.159 -2.980 1.00 72.53 C ATOM 570 O THR A 36 -8.783 -22.261 -2.532 1.00 53.13 O ATOM 571 CB THR A 36 -7.714 -22.129 -5.153 1.00 71.40 C ATOM 572 OG1 THR A 36 -6.322 -22.155 -4.817 1.00 14.33 O ATOM 573 CG2 THR A 36 -7.875 -22.073 -6.665 1.00 22.33 C ATOM 0 H THR A 36 -6.713 -19.672 -4.509 1.00 55.14 H new ATOM 0 HA THR A 36 -9.406 -20.819 -4.880 1.00 41.13 H new ATOM 0 HB THR A 36 -8.193 -23.037 -4.786 1.00 71.40 H new ATOM 0 HG1 THR A 36 -6.212 -22.491 -3.903 1.00 14.33 H new ATOM 0 HG21 THR A 36 -7.385 -22.936 -7.115 1.00 22.33 H new ATOM 0 HG22 THR A 36 -8.935 -22.084 -6.919 1.00 22.33 H new ATOM 0 HG23 THR A 36 -7.420 -21.158 -7.046 1.00 22.33 H new ATOM 581 N GLN A 37 -8.169 -20.121 -2.206 1.00 51.55 N ATOM 582 CA GLN A 37 -8.199 -20.219 -0.752 1.00 10.30 C ATOM 583 C GLN A 37 -9.613 -20.005 -0.221 1.00 5.31 C ATOM 584 O GLN A 37 -10.268 -19.017 -0.551 1.00 5.02 O ATOM 585 CB GLN A 37 -7.248 -19.195 -0.131 1.00 4.50 C ATOM 586 CG GLN A 37 -5.908 -19.781 0.283 1.00 63.43 C ATOM 587 CD GLN A 37 -5.430 -19.258 1.623 1.00 42.33 C ATOM 588 OE1 GLN A 37 -5.831 -18.178 2.059 1.00 21.52 O ATOM 589 NE2 GLN A 37 -4.568 -20.021 2.284 1.00 61.42 N ATOM 0 H GLN A 37 -7.905 -19.202 -2.561 1.00 51.55 H new ATOM 0 HA GLN A 37 -7.874 -21.222 -0.474 1.00 10.30 H new ATOM 0 HB2 GLN A 37 -7.078 -18.390 -0.846 1.00 4.50 H new ATOM 0 HB3 GLN A 37 -7.726 -18.751 0.742 1.00 4.50 H new ATOM 0 HG2 GLN A 37 -5.990 -20.867 0.330 1.00 63.43 H new ATOM 0 HG3 GLN A 37 -5.164 -19.550 -0.479 1.00 63.43 H new ATOM 0 HE21 GLN A 37 -4.263 -20.909 1.885 1.00 61.42 H new ATOM 0 HE22 GLN A 37 -4.211 -19.720 3.191 1.00 61.42 H new ATOM 598 N GLY A 38 -10.077 -20.938 0.604 1.00 34.21 N ATOM 599 CA GLY A 38 -11.411 -20.833 1.167 1.00 22.32 C ATOM 600 C GLY A 38 -12.479 -21.357 0.228 1.00 15.33 C ATOM 601 O GLY A 38 -13.522 -21.839 0.671 1.00 20.21 O ATOM 0 H GLY A 38 -9.554 -21.765 0.893 1.00 34.21 H new ATOM 0 HA2 GLY A 38 -11.451 -21.388 2.104 1.00 22.32 H new ATOM 0 HA3 GLY A 38 -11.621 -19.790 1.405 1.00 22.32 H new ATOM 605 N ARG A 39 -12.222 -21.260 -1.072 1.00 24.31 N ATOM 606 CA ARG A 39 -13.171 -21.725 -2.076 1.00 30.43 C ATOM 607 C ARG A 39 -12.485 -21.918 -3.425 1.00 20.01 C ATOM 608 O ARG A 39 -11.372 -21.437 -3.642 1.00 72.40 O ATOM 609 CB ARG A 39 -14.326 -20.732 -2.216 1.00 5.42 C ATOM 610 CG ARG A 39 -13.907 -19.282 -2.035 1.00 5.25 C ATOM 611 CD ARG A 39 -14.678 -18.359 -2.965 1.00 4.41 C ATOM 612 NE ARG A 39 -14.675 -16.977 -2.491 1.00 33.33 N ATOM 613 CZ ARG A 39 -15.608 -16.088 -2.814 1.00 3.14 C ATOM 614 NH1 ARG A 39 -16.612 -16.434 -3.607 1.00 11.21 N ATOM 615 NH2 ARG A 39 -15.537 -14.850 -2.342 1.00 43.41 N ATOM 0 H ARG A 39 -11.364 -20.863 -1.455 1.00 24.31 H new ATOM 0 HA ARG A 39 -13.566 -22.687 -1.748 1.00 30.43 H new ATOM 0 HB2 ARG A 39 -14.779 -20.850 -3.200 1.00 5.42 H new ATOM 0 HB3 ARG A 39 -15.094 -20.974 -1.481 1.00 5.42 H new ATOM 0 HG2 ARG A 39 -14.074 -18.980 -1.001 1.00 5.25 H new ATOM 0 HG3 ARG A 39 -12.839 -19.184 -2.227 1.00 5.25 H new ATOM 0 HD2 ARG A 39 -14.240 -18.401 -3.962 1.00 4.41 H new ATOM 0 HD3 ARG A 39 -15.706 -18.710 -3.053 1.00 4.41 H new ATOM 0 HE ARG A 39 -13.916 -16.679 -1.879 1.00 33.33 H new ATOM 0 HH11 ARG A 39 -16.670 -17.385 -3.971 1.00 11.21 H new ATOM 0 HH12 ARG A 39 -17.327 -15.749 -3.853 1.00 11.21 H new ATOM 0 HH21 ARG A 39 -14.766 -14.581 -1.731 1.00 43.41 H new ATOM 0 HH22 ARG A 39 -16.253 -14.168 -2.590 1.00 43.41 H new ATOM 629 N CYS A 40 -13.156 -22.625 -4.328 1.00 41.45 N ATOM 630 CA CYS A 40 -12.612 -22.882 -5.656 1.00 62.42 C ATOM 631 C CYS A 40 -13.253 -21.966 -6.694 1.00 75.33 C ATOM 632 O CYS A 40 -14.470 -21.977 -6.881 1.00 74.11 O ATOM 633 CB CYS A 40 -12.832 -24.346 -6.045 1.00 54.43 C ATOM 634 SG CYS A 40 -11.416 -25.433 -5.685 1.00 4.52 S ATOM 0 H CYS A 40 -14.078 -23.030 -4.164 1.00 41.45 H new ATOM 0 HA CYS A 40 -11.542 -22.677 -5.629 1.00 62.42 H new ATOM 0 HB2 CYS A 40 -13.709 -24.723 -5.518 1.00 54.43 H new ATOM 0 HB3 CYS A 40 -13.054 -24.398 -7.111 1.00 54.43 H new ATOM 639 N LYS A 41 -12.426 -21.174 -7.368 1.00 33.02 N ATOM 640 CA LYS A 41 -12.911 -20.252 -8.388 1.00 65.25 C ATOM 641 C LYS A 41 -13.784 -20.978 -9.407 1.00 65.11 C ATOM 642 O LYS A 41 -13.425 -22.036 -9.926 1.00 15.23 O ATOM 643 CB LYS A 41 -11.733 -19.580 -9.098 1.00 1.34 C ATOM 644 CG LYS A 41 -12.042 -18.178 -9.594 1.00 2.23 C ATOM 645 CD LYS A 41 -12.197 -17.200 -8.441 1.00 51.11 C ATOM 646 CE LYS A 41 -10.847 -16.724 -7.928 1.00 65.11 C ATOM 647 NZ LYS A 41 -10.964 -15.463 -7.144 1.00 62.42 N ATOM 0 H LYS A 41 -11.416 -21.152 -7.226 1.00 33.02 H new ATOM 0 HA LYS A 41 -13.515 -19.490 -7.896 1.00 65.25 H new ATOM 0 HB2 LYS A 41 -10.885 -19.536 -8.415 1.00 1.34 H new ATOM 0 HB3 LYS A 41 -11.429 -20.197 -9.944 1.00 1.34 H new ATOM 0 HG2 LYS A 41 -11.243 -17.840 -10.254 1.00 2.23 H new ATOM 0 HG3 LYS A 41 -12.958 -18.194 -10.185 1.00 2.23 H new ATOM 0 HD2 LYS A 41 -12.786 -16.343 -8.766 1.00 51.11 H new ATOM 0 HD3 LYS A 41 -12.748 -17.676 -7.630 1.00 51.11 H new ATOM 0 HE2 LYS A 41 -10.402 -17.499 -7.304 1.00 65.11 H new ATOM 0 HE3 LYS A 41 -10.173 -16.567 -8.770 1.00 65.11 H new ATOM 0 HZ1 LYS A 41 -10.438 -14.705 -7.624 1.00 62.42 H new ATOM 0 HZ2 LYS A 41 -11.966 -15.194 -7.067 1.00 62.42 H new ATOM 0 HZ3 LYS A 41 -10.571 -15.608 -6.192 1.00 62.42 H new ATOM 661 N PRO A 42 -14.956 -20.398 -9.703 1.00 32.11 N ATOM 662 CA PRO A 42 -15.903 -20.972 -10.663 1.00 52.04 C ATOM 663 C PRO A 42 -15.392 -20.896 -12.098 1.00 1.50 C ATOM 664 O PRO A 42 -15.436 -21.879 -12.837 1.00 23.44 O ATOM 665 CB PRO A 42 -17.151 -20.102 -10.494 1.00 35.44 C ATOM 666 CG PRO A 42 -16.640 -18.803 -9.976 1.00 10.43 C ATOM 667 CD PRO A 42 -15.448 -19.137 -9.123 1.00 4.02 C ATOM 0 HA PRO A 42 -16.077 -22.032 -10.479 1.00 52.04 H new ATOM 0 HB2 PRO A 42 -17.674 -19.972 -11.441 1.00 35.44 H new ATOM 0 HB3 PRO A 42 -17.858 -20.555 -9.799 1.00 35.44 H new ATOM 0 HG2 PRO A 42 -16.361 -18.139 -10.794 1.00 10.43 H new ATOM 0 HG3 PRO A 42 -17.404 -18.287 -9.394 1.00 10.43 H new ATOM 0 HD2 PRO A 42 -14.692 -18.353 -9.165 1.00 4.02 H new ATOM 0 HD3 PRO A 42 -15.724 -19.257 -8.076 1.00 4.02 H new ATOM 675 N VAL A 43 -14.907 -19.721 -12.487 1.00 4.44 N ATOM 676 CA VAL A 43 -14.385 -19.516 -13.833 1.00 32.32 C ATOM 677 C VAL A 43 -13.430 -18.329 -13.878 1.00 0.12 C ATOM 678 O VAL A 43 -13.419 -17.494 -12.974 1.00 43.05 O ATOM 679 CB VAL A 43 -15.522 -19.285 -14.846 1.00 31.21 C ATOM 680 CG1 VAL A 43 -14.981 -19.294 -16.267 1.00 43.44 C ATOM 681 CG2 VAL A 43 -16.609 -20.335 -14.675 1.00 34.25 C ATOM 0 H VAL A 43 -14.865 -18.896 -11.889 1.00 4.44 H new ATOM 0 HA VAL A 43 -13.845 -20.423 -14.104 1.00 32.32 H new ATOM 0 HB VAL A 43 -15.961 -18.306 -14.656 1.00 31.21 H new ATOM 0 HG11 VAL A 43 -15.799 -19.129 -16.969 1.00 43.44 H new ATOM 0 HG12 VAL A 43 -14.241 -18.502 -16.380 1.00 43.44 H new ATOM 0 HG13 VAL A 43 -14.515 -20.258 -16.473 1.00 43.44 H new ATOM 0 HG21 VAL A 43 -17.404 -20.157 -15.399 1.00 34.25 H new ATOM 0 HG22 VAL A 43 -16.186 -21.326 -14.838 1.00 34.25 H new ATOM 0 HG23 VAL A 43 -17.017 -20.276 -13.666 1.00 34.25 H new ATOM 691 N ASN A 44 -12.630 -18.260 -14.937 1.00 25.34 N ATOM 692 CA ASN A 44 -11.670 -17.175 -15.100 1.00 3.50 C ATOM 693 C ASN A 44 -11.086 -17.172 -16.510 1.00 10.14 C ATOM 694 O ASN A 44 -11.204 -18.153 -17.245 1.00 13.30 O ATOM 695 CB ASN A 44 -10.545 -17.301 -14.070 1.00 61.04 C ATOM 696 CG ASN A 44 -9.211 -16.824 -14.610 1.00 45.04 C ATOM 697 OD1 ASN A 44 -9.041 -15.646 -14.926 1.00 74.25 O ATOM 698 ND2 ASN A 44 -8.255 -17.740 -14.719 1.00 2.43 N ATOM 0 H ASN A 44 -12.628 -18.943 -15.695 1.00 25.34 H new ATOM 0 HA ASN A 44 -12.195 -16.233 -14.941 1.00 3.50 H new ATOM 0 HB2 ASN A 44 -10.802 -16.723 -13.182 1.00 61.04 H new ATOM 0 HB3 ASN A 44 -10.457 -18.342 -13.758 1.00 61.04 H new ATOM 0 HD21 ASN A 44 -7.336 -17.478 -15.076 1.00 2.43 H new ATOM 0 HD22 ASN A 44 -8.440 -18.705 -14.445 1.00 2.43 H new ATOM 705 N THR A 45 -10.454 -16.062 -16.881 1.00 34.43 N ATOM 706 CA THR A 45 -9.853 -15.931 -18.202 1.00 25.15 C ATOM 707 C THR A 45 -8.498 -15.237 -18.122 1.00 1.52 C ATOM 708 O THR A 45 -8.422 -14.019 -17.956 1.00 11.11 O ATOM 709 CB THR A 45 -10.766 -15.142 -19.159 1.00 64.31 C ATOM 710 OG1 THR A 45 -12.097 -15.668 -19.111 1.00 64.22 O ATOM 711 CG2 THR A 45 -10.240 -15.208 -20.585 1.00 62.10 C ATOM 0 H THR A 45 -10.346 -15.241 -16.285 1.00 34.43 H new ATOM 0 HA THR A 45 -9.719 -16.941 -18.590 1.00 25.15 H new ATOM 0 HB THR A 45 -10.776 -14.100 -18.840 1.00 64.31 H new ATOM 0 HG1 THR A 45 -12.672 -15.160 -19.721 1.00 64.22 H new ATOM 0 HG21 THR A 45 -10.901 -14.644 -21.243 1.00 62.10 H new ATOM 0 HG22 THR A 45 -9.238 -14.780 -20.623 1.00 62.10 H new ATOM 0 HG23 THR A 45 -10.204 -16.247 -20.912 1.00 62.10 H new ATOM 719 N PHE A 46 -7.430 -16.018 -18.242 1.00 4.22 N ATOM 720 CA PHE A 46 -6.077 -15.477 -18.183 1.00 64.11 C ATOM 721 C PHE A 46 -5.772 -14.638 -19.421 1.00 11.14 C ATOM 722 O PHE A 46 -6.612 -14.493 -20.309 1.00 33.43 O ATOM 723 CB PHE A 46 -5.057 -16.611 -18.058 1.00 45.32 C ATOM 724 CG PHE A 46 -4.547 -16.807 -16.659 1.00 43.11 C ATOM 725 CD1 PHE A 46 -5.326 -16.457 -15.568 1.00 43.32 C ATOM 726 CD2 PHE A 46 -3.288 -17.341 -16.435 1.00 30.21 C ATOM 727 CE1 PHE A 46 -4.860 -16.636 -14.279 1.00 63.33 C ATOM 728 CE2 PHE A 46 -2.817 -17.523 -15.148 1.00 61.55 C ATOM 729 CZ PHE A 46 -3.603 -17.169 -14.069 1.00 72.54 C ATOM 0 H PHE A 46 -7.475 -17.028 -18.381 1.00 4.22 H new ATOM 0 HA PHE A 46 -6.007 -14.835 -17.305 1.00 64.11 H new ATOM 0 HB2 PHE A 46 -5.513 -17.539 -18.403 1.00 45.32 H new ATOM 0 HB3 PHE A 46 -4.214 -16.405 -18.718 1.00 45.32 H new ATOM 0 HD1 PHE A 46 -6.309 -16.039 -15.727 1.00 43.32 H new ATOM 0 HD2 PHE A 46 -2.668 -17.618 -17.275 1.00 30.21 H new ATOM 0 HE1 PHE A 46 -5.478 -16.360 -13.437 1.00 63.33 H new ATOM 0 HE2 PHE A 46 -1.835 -17.942 -14.986 1.00 61.55 H new ATOM 0 HZ PHE A 46 -3.236 -17.309 -13.063 1.00 72.54 H new ATOM 739 N VAL A 47 -4.564 -14.086 -19.471 1.00 50.32 N ATOM 740 CA VAL A 47 -4.147 -13.261 -20.599 1.00 11.10 C ATOM 741 C VAL A 47 -2.639 -13.338 -20.808 1.00 40.12 C ATOM 742 O VAL A 47 -1.865 -13.274 -19.853 1.00 4.42 O ATOM 743 CB VAL A 47 -4.552 -11.789 -20.397 1.00 41.55 C ATOM 744 CG1 VAL A 47 -4.048 -10.934 -21.550 1.00 52.53 C ATOM 745 CG2 VAL A 47 -6.061 -11.667 -20.252 1.00 53.52 C ATOM 0 H VAL A 47 -3.857 -14.195 -18.744 1.00 50.32 H new ATOM 0 HA VAL A 47 -4.653 -13.652 -21.482 1.00 11.10 H new ATOM 0 HB VAL A 47 -4.091 -11.426 -19.478 1.00 41.55 H new ATOM 0 HG11 VAL A 47 -4.343 -9.897 -21.390 1.00 52.53 H new ATOM 0 HG12 VAL A 47 -2.961 -10.998 -21.602 1.00 52.53 H new ATOM 0 HG13 VAL A 47 -4.478 -11.294 -22.485 1.00 52.53 H new ATOM 0 HG21 VAL A 47 -6.329 -10.620 -20.110 1.00 53.52 H new ATOM 0 HG22 VAL A 47 -6.545 -12.047 -21.152 1.00 53.52 H new ATOM 0 HG23 VAL A 47 -6.392 -12.246 -19.390 1.00 53.52 H new ATOM 755 N HIS A 48 -2.228 -13.475 -22.065 1.00 24.53 N ATOM 756 CA HIS A 48 -0.811 -13.560 -22.400 1.00 44.03 C ATOM 757 C HIS A 48 -0.337 -12.280 -23.083 1.00 23.33 C ATOM 758 O HIS A 48 0.708 -12.263 -23.732 1.00 25.31 O ATOM 759 CB HIS A 48 -0.551 -14.762 -23.308 1.00 62.34 C ATOM 760 CG HIS A 48 -0.706 -16.081 -22.615 1.00 43.12 C ATOM 761 ND1 HIS A 48 0.259 -16.613 -21.786 1.00 32.21 N ATOM 762 CD2 HIS A 48 -1.722 -16.975 -22.630 1.00 62.14 C ATOM 763 CE1 HIS A 48 -0.156 -17.778 -21.322 1.00 74.43 C ATOM 764 NE2 HIS A 48 -1.356 -18.021 -21.819 1.00 61.13 N ATOM 0 H HIS A 48 -2.855 -13.529 -22.867 1.00 24.53 H new ATOM 0 HA HIS A 48 -0.251 -13.686 -21.474 1.00 44.03 H new ATOM 0 HB2 HIS A 48 -1.237 -14.723 -24.154 1.00 62.34 H new ATOM 0 HB3 HIS A 48 0.459 -14.690 -23.712 1.00 62.34 H new ATOM 0 HD2 HIS A 48 -2.648 -16.883 -23.178 1.00 62.14 H new ATOM 0 HE1 HIS A 48 0.392 -18.422 -20.651 1.00 74.43 H new ATOM 0 HE2 HIS A 48 -1.919 -18.851 -21.631 1.00 61.13 H new ATOM 772 N GLU A 49 -1.113 -11.212 -22.931 1.00 51.11 N ATOM 773 CA GLU A 49 -0.772 -9.929 -23.535 1.00 12.04 C ATOM 774 C GLU A 49 -0.496 -8.879 -22.462 1.00 33.32 C ATOM 775 O GLU A 49 -0.999 -8.954 -21.340 1.00 62.24 O ATOM 776 CB GLU A 49 -1.903 -9.454 -24.449 1.00 71.14 C ATOM 777 CG GLU A 49 -2.383 -8.045 -24.143 1.00 64.22 C ATOM 778 CD GLU A 49 -3.286 -7.988 -22.926 1.00 43.24 C ATOM 779 OE1 GLU A 49 -4.452 -8.422 -23.033 1.00 22.11 O ATOM 780 OE2 GLU A 49 -2.827 -7.509 -21.868 1.00 40.25 O ATOM 0 H GLU A 49 -1.981 -11.209 -22.396 1.00 51.11 H new ATOM 0 HA GLU A 49 0.132 -10.064 -24.128 1.00 12.04 H new ATOM 0 HB2 GLU A 49 -1.564 -9.496 -25.484 1.00 71.14 H new ATOM 0 HB3 GLU A 49 -2.744 -10.142 -24.360 1.00 71.14 H new ATOM 0 HG2 GLU A 49 -1.521 -7.398 -23.981 1.00 64.22 H new ATOM 0 HG3 GLU A 49 -2.919 -7.652 -25.007 1.00 64.22 H new ATOM 787 N PRO A 50 0.323 -7.877 -22.813 1.00 14.44 N ATOM 788 CA PRO A 50 0.684 -6.792 -21.895 1.00 25.20 C ATOM 789 C PRO A 50 -0.489 -5.863 -21.604 1.00 41.12 C ATOM 790 O PRO A 50 -1.377 -5.688 -22.439 1.00 75.13 O ATOM 791 CB PRO A 50 1.786 -6.043 -22.648 1.00 42.24 C ATOM 792 CG PRO A 50 1.526 -6.332 -24.086 1.00 62.44 C ATOM 793 CD PRO A 50 0.958 -7.724 -24.132 1.00 53.24 C ATOM 0 HA PRO A 50 0.995 -7.169 -20.921 1.00 25.20 H new ATOM 0 HB2 PRO A 50 1.746 -4.973 -22.446 1.00 42.24 H new ATOM 0 HB3 PRO A 50 2.775 -6.388 -22.348 1.00 42.24 H new ATOM 0 HG2 PRO A 50 0.827 -5.611 -24.509 1.00 62.44 H new ATOM 0 HG3 PRO A 50 2.444 -6.266 -24.670 1.00 62.44 H new ATOM 0 HD2 PRO A 50 0.236 -7.837 -24.941 1.00 53.24 H new ATOM 0 HD3 PRO A 50 1.736 -8.470 -24.292 1.00 53.24 H new ATOM 801 N LEU A 51 -0.486 -5.268 -20.416 1.00 74.43 N ATOM 802 CA LEU A 51 -1.551 -4.355 -20.015 1.00 73.44 C ATOM 803 C LEU A 51 -1.664 -3.188 -20.991 1.00 71.41 C ATOM 804 O LEU A 51 -2.725 -2.948 -21.567 1.00 40.53 O ATOM 805 CB LEU A 51 -1.294 -3.830 -18.602 1.00 34.22 C ATOM 806 CG LEU A 51 -2.377 -2.923 -18.016 1.00 21.12 C ATOM 807 CD1 LEU A 51 -3.581 -3.743 -17.578 1.00 41.25 C ATOM 808 CD2 LEU A 51 -1.824 -2.119 -16.848 1.00 72.00 C ATOM 0 H LEU A 51 0.242 -5.401 -19.714 1.00 74.43 H new ATOM 0 HA LEU A 51 -2.492 -4.906 -20.026 1.00 73.44 H new ATOM 0 HB2 LEU A 51 -1.164 -4.684 -17.937 1.00 34.22 H new ATOM 0 HB3 LEU A 51 -0.352 -3.282 -18.605 1.00 34.22 H new ATOM 0 HG LEU A 51 -2.700 -2.227 -18.791 1.00 21.12 H new ATOM 0 HD11 LEU A 51 -4.341 -3.081 -17.164 1.00 41.25 H new ATOM 0 HD12 LEU A 51 -3.991 -4.274 -18.437 1.00 41.25 H new ATOM 0 HD13 LEU A 51 -3.274 -4.463 -16.819 1.00 41.25 H new ATOM 0 HD21 LEU A 51 -2.608 -1.479 -16.443 1.00 72.00 H new ATOM 0 HD22 LEU A 51 -1.474 -2.799 -16.072 1.00 72.00 H new ATOM 0 HD23 LEU A 51 -0.994 -1.502 -17.192 1.00 72.00 H new ATOM 820 N VAL A 52 -0.562 -2.467 -21.173 1.00 72.54 N ATOM 821 CA VAL A 52 -0.536 -1.328 -22.082 1.00 51.50 C ATOM 822 C VAL A 52 -1.467 -1.549 -23.269 1.00 35.05 C ATOM 823 O VAL A 52 -2.134 -0.622 -23.730 1.00 5.15 O ATOM 824 CB VAL A 52 0.888 -1.059 -22.604 1.00 53.43 C ATOM 825 CG1 VAL A 52 1.290 -2.112 -23.625 1.00 23.44 C ATOM 826 CG2 VAL A 52 0.981 0.337 -23.202 1.00 54.12 C ATOM 0 H VAL A 52 0.324 -2.652 -20.703 1.00 72.54 H new ATOM 0 HA VAL A 52 -0.877 -0.463 -21.514 1.00 51.50 H new ATOM 0 HB VAL A 52 1.581 -1.117 -21.765 1.00 53.43 H new ATOM 0 HG11 VAL A 52 2.299 -1.906 -23.983 1.00 23.44 H new ATOM 0 HG12 VAL A 52 1.264 -3.098 -23.160 1.00 23.44 H new ATOM 0 HG13 VAL A 52 0.595 -2.088 -24.465 1.00 23.44 H new ATOM 0 HG21 VAL A 52 1.994 0.510 -23.566 1.00 54.12 H new ATOM 0 HG22 VAL A 52 0.278 0.426 -24.030 1.00 54.12 H new ATOM 0 HG23 VAL A 52 0.738 1.077 -22.439 1.00 54.12 H new ATOM 836 N ASP A 53 -1.509 -2.783 -23.758 1.00 74.21 N ATOM 837 CA ASP A 53 -2.361 -3.128 -24.891 1.00 3.11 C ATOM 838 C ASP A 53 -3.835 -3.028 -24.513 1.00 32.44 C ATOM 839 O ASP A 53 -4.628 -2.409 -25.222 1.00 35.33 O ATOM 840 CB ASP A 53 -2.042 -4.540 -25.385 1.00 31.05 C ATOM 841 CG ASP A 53 -2.336 -4.717 -26.861 1.00 64.03 C ATOM 842 OD1 ASP A 53 -1.970 -3.821 -27.650 1.00 15.51 O ATOM 843 OD2 ASP A 53 -2.931 -5.752 -27.228 1.00 53.34 O ATOM 0 H ASP A 53 -0.963 -3.561 -23.388 1.00 74.21 H new ATOM 0 HA ASP A 53 -2.162 -2.418 -25.693 1.00 3.11 H new ATOM 0 HB2 ASP A 53 -0.991 -4.758 -25.198 1.00 31.05 H new ATOM 0 HB3 ASP A 53 -2.624 -5.262 -24.812 1.00 31.05 H new ATOM 848 N VAL A 54 -4.196 -3.643 -23.391 1.00 21.44 N ATOM 849 CA VAL A 54 -5.575 -3.624 -22.918 1.00 21.33 C ATOM 850 C VAL A 54 -6.017 -2.208 -22.568 1.00 44.44 C ATOM 851 O VAL A 54 -7.184 -1.854 -22.731 1.00 10.24 O ATOM 852 CB VAL A 54 -5.757 -4.526 -21.683 1.00 33.34 C ATOM 853 CG1 VAL A 54 -7.177 -4.419 -21.148 1.00 73.51 C ATOM 854 CG2 VAL A 54 -5.413 -5.969 -22.022 1.00 15.15 C ATOM 0 H VAL A 54 -3.552 -4.161 -22.793 1.00 21.44 H new ATOM 0 HA VAL A 54 -6.193 -4.004 -23.731 1.00 21.33 H new ATOM 0 HB VAL A 54 -5.074 -4.187 -20.903 1.00 33.34 H new ATOM 0 HG11 VAL A 54 -7.287 -5.063 -20.276 1.00 73.51 H new ATOM 0 HG12 VAL A 54 -7.382 -3.387 -20.865 1.00 73.51 H new ATOM 0 HG13 VAL A 54 -7.881 -4.730 -21.920 1.00 73.51 H new ATOM 0 HG21 VAL A 54 -5.547 -6.592 -21.138 1.00 15.15 H new ATOM 0 HG22 VAL A 54 -6.069 -6.322 -22.818 1.00 15.15 H new ATOM 0 HG23 VAL A 54 -4.376 -6.028 -22.353 1.00 15.15 H new ATOM 864 N GLN A 55 -5.075 -1.401 -22.089 1.00 30.42 N ATOM 865 CA GLN A 55 -5.368 -0.022 -21.716 1.00 62.43 C ATOM 866 C GLN A 55 -5.869 0.771 -22.918 1.00 40.43 C ATOM 867 O GLN A 55 -6.853 1.504 -22.824 1.00 22.20 O ATOM 868 CB GLN A 55 -4.122 0.646 -21.132 1.00 61.23 C ATOM 869 CG GLN A 55 -3.444 -0.175 -20.047 1.00 43.50 C ATOM 870 CD GLN A 55 -2.639 0.679 -19.087 1.00 13.42 C ATOM 871 OE1 GLN A 55 -2.946 1.853 -18.876 1.00 4.22 O ATOM 872 NE2 GLN A 55 -1.603 0.093 -18.498 1.00 53.23 N ATOM 0 H GLN A 55 -4.103 -1.678 -21.950 1.00 30.42 H new ATOM 0 HA GLN A 55 -6.153 -0.035 -20.959 1.00 62.43 H new ATOM 0 HB2 GLN A 55 -3.409 0.831 -21.935 1.00 61.23 H new ATOM 0 HB3 GLN A 55 -4.399 1.617 -20.722 1.00 61.23 H new ATOM 0 HG2 GLN A 55 -4.200 -0.728 -19.489 1.00 43.50 H new ATOM 0 HG3 GLN A 55 -2.787 -0.911 -20.511 1.00 43.50 H new ATOM 0 HE21 GLN A 55 -1.385 -0.882 -18.702 1.00 53.23 H new ATOM 0 HE22 GLN A 55 -1.026 0.618 -17.841 1.00 53.23 H new ATOM 881 N ASN A 56 -5.185 0.621 -24.048 1.00 23.33 N ATOM 882 CA ASN A 56 -5.560 1.325 -25.269 1.00 32.35 C ATOM 883 C ASN A 56 -7.030 1.087 -25.604 1.00 25.24 C ATOM 884 O ASN A 56 -7.690 1.943 -26.192 1.00 42.03 O ATOM 885 CB ASN A 56 -4.680 0.871 -26.435 1.00 3.42 C ATOM 886 CG ASN A 56 -3.232 1.289 -26.263 1.00 11.51 C ATOM 887 OD1 ASN A 56 -2.937 2.460 -26.023 1.00 0.34 O ATOM 888 ND2 ASN A 56 -2.321 0.331 -26.386 1.00 11.21 N ATOM 0 H ASN A 56 -4.368 0.018 -24.143 1.00 23.33 H new ATOM 0 HA ASN A 56 -5.411 2.392 -25.104 1.00 32.35 H new ATOM 0 HB2 ASN A 56 -4.734 -0.214 -26.526 1.00 3.42 H new ATOM 0 HB3 ASN A 56 -5.068 1.289 -27.364 1.00 3.42 H new ATOM 0 HD21 ASN A 56 -1.331 0.552 -26.281 1.00 11.21 H new ATOM 0 HD22 ASN A 56 -2.611 -0.626 -26.585 1.00 11.21 H new ATOM 895 N VAL A 57 -7.536 -0.082 -25.224 1.00 63.30 N ATOM 896 CA VAL A 57 -8.927 -0.433 -25.482 1.00 52.12 C ATOM 897 C VAL A 57 -9.873 0.621 -24.919 1.00 12.53 C ATOM 898 O VAL A 57 -10.832 1.026 -25.577 1.00 13.25 O ATOM 899 CB VAL A 57 -9.283 -1.803 -24.875 1.00 3.02 C ATOM 900 CG1 VAL A 57 -10.761 -2.106 -25.069 1.00 3.24 C ATOM 901 CG2 VAL A 57 -8.421 -2.897 -25.488 1.00 12.33 C ATOM 0 H VAL A 57 -7.003 -0.802 -24.736 1.00 63.30 H new ATOM 0 HA VAL A 57 -9.045 -0.482 -26.564 1.00 52.12 H new ATOM 0 HB VAL A 57 -9.081 -1.770 -23.804 1.00 3.02 H new ATOM 0 HG11 VAL A 57 -10.993 -3.078 -24.634 1.00 3.24 H new ATOM 0 HG12 VAL A 57 -11.358 -1.337 -24.579 1.00 3.24 H new ATOM 0 HG13 VAL A 57 -10.993 -2.121 -26.134 1.00 3.24 H new ATOM 0 HG21 VAL A 57 -8.686 -3.858 -25.048 1.00 12.33 H new ATOM 0 HG22 VAL A 57 -8.589 -2.932 -26.564 1.00 12.33 H new ATOM 0 HG23 VAL A 57 -7.370 -2.685 -25.292 1.00 12.33 H new ATOM 911 N CYS A 58 -9.597 1.064 -23.696 1.00 60.44 N ATOM 912 CA CYS A 58 -10.423 2.072 -23.043 1.00 23.44 C ATOM 913 C CYS A 58 -10.465 3.357 -23.865 1.00 33.45 C ATOM 914 O CYS A 58 -11.334 4.206 -23.665 1.00 33.42 O ATOM 915 CB CYS A 58 -9.888 2.368 -21.640 1.00 63.21 C ATOM 916 SG CYS A 58 -11.177 2.460 -20.357 1.00 12.43 S ATOM 0 H CYS A 58 -8.807 0.740 -23.138 1.00 60.44 H new ATOM 0 HA CYS A 58 -11.437 1.680 -22.963 1.00 23.44 H new ATOM 0 HB2 CYS A 58 -9.172 1.594 -21.365 1.00 63.21 H new ATOM 0 HB3 CYS A 58 -9.344 3.312 -21.662 1.00 63.21 H new ATOM 921 N PHE A 59 -9.521 3.492 -24.790 1.00 11.13 N ATOM 922 CA PHE A 59 -9.450 4.673 -25.642 1.00 3.30 C ATOM 923 C PHE A 59 -9.733 4.312 -27.097 1.00 64.12 C ATOM 924 O PHE A 59 -9.876 5.189 -27.948 1.00 44.32 O ATOM 925 CB PHE A 59 -8.072 5.329 -25.526 1.00 53.32 C ATOM 926 CG PHE A 59 -7.548 5.379 -24.119 1.00 54.24 C ATOM 927 CD1 PHE A 59 -8.261 6.028 -23.123 1.00 63.15 C ATOM 928 CD2 PHE A 59 -6.344 4.777 -23.793 1.00 11.03 C ATOM 929 CE1 PHE A 59 -7.780 6.076 -21.828 1.00 74.24 C ATOM 930 CE2 PHE A 59 -5.859 4.821 -22.499 1.00 40.32 C ATOM 931 CZ PHE A 59 -6.579 5.471 -21.516 1.00 22.24 C ATOM 0 H PHE A 59 -8.795 2.798 -24.969 1.00 11.13 H new ATOM 0 HA PHE A 59 -10.210 5.378 -25.307 1.00 3.30 H new ATOM 0 HB2 PHE A 59 -7.365 4.782 -26.149 1.00 53.32 H new ATOM 0 HB3 PHE A 59 -8.127 6.343 -25.921 1.00 53.32 H new ATOM 0 HD1 PHE A 59 -9.202 6.501 -23.361 1.00 63.15 H new ATOM 0 HD2 PHE A 59 -5.778 4.267 -24.558 1.00 11.03 H new ATOM 0 HE1 PHE A 59 -8.343 6.586 -21.061 1.00 74.24 H new ATOM 0 HE2 PHE A 59 -4.919 4.348 -22.257 1.00 40.32 H new ATOM 0 HZ PHE A 59 -6.203 5.506 -20.504 1.00 22.24 H new ATOM 941 N GLN A 60 -9.811 3.014 -27.374 1.00 12.31 N ATOM 942 CA GLN A 60 -10.075 2.537 -28.726 1.00 34.41 C ATOM 943 C GLN A 60 -11.575 2.444 -28.987 1.00 71.41 C ATOM 944 O GLN A 60 -12.125 3.208 -29.779 1.00 63.04 O ATOM 945 CB GLN A 60 -9.422 1.171 -28.944 1.00 32.32 C ATOM 946 CG GLN A 60 -7.903 1.220 -28.972 1.00 51.42 C ATOM 947 CD GLN A 60 -7.324 0.650 -30.252 1.00 54.41 C ATOM 948 OE1 GLN A 60 -6.856 1.390 -31.118 1.00 71.45 O ATOM 949 NE2 GLN A 60 -7.353 -0.671 -30.378 1.00 72.21 N ATOM 0 H GLN A 60 -9.695 2.275 -26.681 1.00 12.31 H new ATOM 0 HA GLN A 60 -9.646 3.253 -29.427 1.00 34.41 H new ATOM 0 HB2 GLN A 60 -9.741 0.495 -28.151 1.00 32.32 H new ATOM 0 HB3 GLN A 60 -9.781 0.752 -29.884 1.00 32.32 H new ATOM 0 HG2 GLN A 60 -7.574 2.253 -28.858 1.00 51.42 H new ATOM 0 HG3 GLN A 60 -7.510 0.664 -28.121 1.00 51.42 H new ATOM 0 HE21 GLN A 60 -7.750 -1.246 -29.635 1.00 72.21 H new ATOM 0 HE22 GLN A 60 -6.978 -1.112 -31.218 1.00 72.21 H new ATOM 958 N GLU A 61 -12.231 1.502 -28.316 1.00 24.05 N ATOM 959 CA GLU A 61 -13.667 1.309 -28.477 1.00 1.21 C ATOM 960 C GLU A 61 -14.377 1.351 -27.127 1.00 25.25 C ATOM 961 O GLU A 61 -13.739 1.471 -26.080 1.00 42.33 O ATOM 962 CB GLU A 61 -13.950 -0.023 -29.173 1.00 71.53 C ATOM 963 CG GLU A 61 -15.167 0.012 -30.083 1.00 64.40 C ATOM 964 CD GLU A 61 -15.129 -1.066 -31.149 1.00 42.24 C ATOM 965 OE1 GLU A 61 -14.797 -2.222 -30.813 1.00 4.44 O ATOM 966 OE2 GLU A 61 -15.431 -0.754 -32.320 1.00 50.50 O ATOM 0 H GLU A 61 -11.791 0.861 -27.656 1.00 24.05 H new ATOM 0 HA GLU A 61 -14.050 2.122 -29.094 1.00 1.21 H new ATOM 0 HB2 GLU A 61 -13.077 -0.310 -29.759 1.00 71.53 H new ATOM 0 HB3 GLU A 61 -14.094 -0.795 -28.417 1.00 71.53 H new ATOM 0 HG2 GLU A 61 -16.069 -0.108 -29.482 1.00 64.40 H new ATOM 0 HG3 GLU A 61 -15.230 0.989 -30.562 1.00 64.40 H new ATOM 973 N LYS A 62 -15.701 1.251 -27.158 1.00 31.33 N ATOM 974 CA LYS A 62 -16.500 1.276 -25.938 1.00 3.00 C ATOM 975 C LYS A 62 -17.674 0.308 -26.036 1.00 71.34 C ATOM 976 O LYS A 62 -17.979 -0.207 -27.112 1.00 41.15 O ATOM 977 CB LYS A 62 -17.014 2.692 -25.670 1.00 3.33 C ATOM 978 CG LYS A 62 -15.925 3.666 -25.252 1.00 31.51 C ATOM 979 CD LYS A 62 -16.226 5.077 -25.729 1.00 23.35 C ATOM 980 CE LYS A 62 -15.509 5.389 -27.033 1.00 73.24 C ATOM 981 NZ LYS A 62 -15.086 6.815 -27.106 1.00 62.44 N ATOM 0 H LYS A 62 -16.244 1.152 -28.015 1.00 31.33 H new ATOM 0 HA LYS A 62 -15.863 0.964 -25.110 1.00 3.00 H new ATOM 0 HB2 LYS A 62 -17.501 3.069 -26.569 1.00 3.33 H new ATOM 0 HB3 LYS A 62 -17.773 2.652 -24.889 1.00 3.33 H new ATOM 0 HG2 LYS A 62 -15.828 3.661 -24.166 1.00 31.51 H new ATOM 0 HG3 LYS A 62 -14.968 3.340 -25.659 1.00 31.51 H new ATOM 0 HD2 LYS A 62 -17.301 5.194 -25.867 1.00 23.35 H new ATOM 0 HD3 LYS A 62 -15.922 5.793 -24.965 1.00 23.35 H new ATOM 0 HE2 LYS A 62 -14.635 4.745 -27.130 1.00 73.24 H new ATOM 0 HE3 LYS A 62 -16.166 5.162 -27.872 1.00 73.24 H new ATOM 0 HZ1 LYS A 62 -14.601 6.987 -28.010 1.00 62.44 H new ATOM 0 HZ2 LYS A 62 -15.923 7.429 -27.039 1.00 62.44 H new ATOM 0 HZ3 LYS A 62 -14.438 7.026 -26.320 1.00 62.44 H new ATOM 995 N VAL A 63 -18.331 0.065 -24.907 1.00 32.43 N ATOM 996 CA VAL A 63 -19.474 -0.840 -24.867 1.00 12.24 C ATOM 997 C VAL A 63 -20.365 -0.547 -23.664 1.00 43.13 C ATOM 998 O VAL A 63 -20.065 0.331 -22.854 1.00 52.02 O ATOM 999 CB VAL A 63 -19.024 -2.312 -24.811 1.00 45.43 C ATOM 1000 CG1 VAL A 63 -17.859 -2.550 -25.761 1.00 11.35 C ATOM 1001 CG2 VAL A 63 -18.651 -2.701 -23.389 1.00 22.21 C ATOM 0 H VAL A 63 -18.092 0.482 -24.007 1.00 32.43 H new ATOM 0 HA VAL A 63 -20.040 -0.675 -25.784 1.00 12.24 H new ATOM 0 HB VAL A 63 -19.856 -2.941 -25.129 1.00 45.43 H new ATOM 0 HG11 VAL A 63 -17.554 -3.595 -25.708 1.00 11.35 H new ATOM 0 HG12 VAL A 63 -18.166 -2.312 -26.780 1.00 11.35 H new ATOM 0 HG13 VAL A 63 -17.021 -1.913 -25.476 1.00 11.35 H new ATOM 0 HG21 VAL A 63 -18.336 -3.744 -23.368 1.00 22.21 H new ATOM 0 HG22 VAL A 63 -17.835 -2.068 -23.041 1.00 22.21 H new ATOM 0 HG23 VAL A 63 -19.515 -2.570 -22.737 1.00 22.21 H new ATOM 1011 N THR A 64 -21.462 -1.289 -23.553 1.00 54.41 N ATOM 1012 CA THR A 64 -22.398 -1.109 -22.450 1.00 40.32 C ATOM 1013 C THR A 64 -22.277 -2.241 -21.436 1.00 51.44 C ATOM 1014 O THR A 64 -21.486 -3.167 -21.616 1.00 75.45 O ATOM 1015 CB THR A 64 -23.852 -1.038 -22.953 1.00 32.10 C ATOM 1016 OG1 THR A 64 -23.878 -0.609 -24.319 1.00 31.02 O ATOM 1017 CG2 THR A 64 -24.674 -0.083 -22.100 1.00 62.04 C ATOM 0 H THR A 64 -21.724 -2.021 -24.214 1.00 54.41 H new ATOM 0 HA THR A 64 -22.142 -0.165 -21.969 1.00 40.32 H new ATOM 0 HB THR A 64 -24.288 -2.034 -22.878 1.00 32.10 H new ATOM 0 HG1 THR A 64 -24.806 -0.568 -24.631 1.00 31.02 H new ATOM 0 HG21 THR A 64 -25.697 -0.049 -22.474 1.00 62.04 H new ATOM 0 HG22 THR A 64 -24.677 -0.429 -21.066 1.00 62.04 H new ATOM 0 HG23 THR A 64 -24.238 0.915 -22.147 1.00 62.04 H new ATOM 1025 N CYS A 65 -23.066 -2.160 -20.370 1.00 61.41 N ATOM 1026 CA CYS A 65 -23.048 -3.178 -19.327 1.00 31.52 C ATOM 1027 C CYS A 65 -24.367 -3.195 -18.560 1.00 54.21 C ATOM 1028 O CYS A 65 -25.263 -2.392 -18.825 1.00 5.02 O ATOM 1029 CB CYS A 65 -21.888 -2.929 -18.361 1.00 44.14 C ATOM 1030 SG CYS A 65 -20.329 -3.738 -18.847 1.00 53.52 S ATOM 0 H CYS A 65 -23.726 -1.400 -20.206 1.00 61.41 H new ATOM 0 HA CYS A 65 -22.913 -4.148 -19.805 1.00 31.52 H new ATOM 0 HB2 CYS A 65 -21.719 -1.855 -18.283 1.00 44.14 H new ATOM 0 HB3 CYS A 65 -22.173 -3.280 -17.369 1.00 44.14 H new ATOM 1035 N LYS A 66 -24.481 -4.115 -17.608 1.00 44.21 N ATOM 1036 CA LYS A 66 -25.689 -4.236 -16.801 1.00 24.52 C ATOM 1037 C LYS A 66 -26.077 -2.891 -16.197 1.00 11.14 C ATOM 1038 O LYS A 66 -27.248 -2.515 -16.198 1.00 13.43 O ATOM 1039 CB LYS A 66 -25.482 -5.266 -15.688 1.00 25.40 C ATOM 1040 CG LYS A 66 -26.777 -5.851 -15.152 1.00 23.14 C ATOM 1041 CD LYS A 66 -26.900 -5.650 -13.650 1.00 43.05 C ATOM 1042 CE LYS A 66 -26.073 -6.670 -12.882 1.00 14.21 C ATOM 1043 NZ LYS A 66 -24.722 -6.145 -12.540 1.00 54.13 N ATOM 0 H LYS A 66 -23.751 -4.788 -17.376 1.00 44.21 H new ATOM 0 HA LYS A 66 -26.498 -4.569 -17.451 1.00 24.52 H new ATOM 0 HB2 LYS A 66 -24.856 -6.075 -16.065 1.00 25.40 H new ATOM 0 HB3 LYS A 66 -24.938 -4.798 -14.868 1.00 25.40 H new ATOM 0 HG2 LYS A 66 -27.624 -5.383 -15.653 1.00 23.14 H new ATOM 0 HG3 LYS A 66 -26.819 -6.916 -15.382 1.00 23.14 H new ATOM 0 HD2 LYS A 66 -26.573 -4.644 -13.388 1.00 43.05 H new ATOM 0 HD3 LYS A 66 -27.946 -5.732 -13.355 1.00 43.05 H new ATOM 0 HE2 LYS A 66 -26.597 -6.948 -11.967 1.00 14.21 H new ATOM 0 HE3 LYS A 66 -25.970 -7.577 -13.478 1.00 14.21 H new ATOM 0 HZ1 LYS A 66 -24.295 -6.740 -11.802 1.00 54.13 H new ATOM 0 HZ2 LYS A 66 -24.119 -6.159 -13.387 1.00 54.13 H new ATOM 0 HZ3 LYS A 66 -24.807 -5.169 -12.192 1.00 54.13 H new ATOM 1057 N ASN A 67 -25.086 -2.170 -15.683 1.00 1.24 N ATOM 1058 CA ASN A 67 -25.325 -0.865 -15.076 1.00 63.20 C ATOM 1059 C ASN A 67 -25.428 0.220 -16.143 1.00 40.22 C ATOM 1060 O ASN A 67 -25.384 1.411 -15.839 1.00 5.34 O ATOM 1061 CB ASN A 67 -24.203 -0.524 -14.092 1.00 54.05 C ATOM 1062 CG ASN A 67 -22.871 -1.119 -14.506 1.00 11.14 C ATOM 1063 OD1 ASN A 67 -22.325 -1.982 -13.819 1.00 64.41 O ATOM 1064 ND2 ASN A 67 -22.342 -0.658 -15.633 1.00 4.01 N ATOM 0 H ASN A 67 -24.110 -2.467 -15.674 1.00 1.24 H new ATOM 0 HA ASN A 67 -26.271 -0.910 -14.537 1.00 63.20 H new ATOM 0 HB2 ASN A 67 -24.106 0.559 -14.016 1.00 54.05 H new ATOM 0 HB3 ASN A 67 -24.469 -0.890 -13.100 1.00 54.05 H new ATOM 0 HD21 ASN A 67 -21.447 -1.020 -15.962 1.00 4.01 H new ATOM 0 HD22 ASN A 67 -22.831 0.058 -16.170 1.00 4.01 H new ATOM 1071 N GLY A 68 -25.567 -0.201 -17.397 1.00 22.12 N ATOM 1072 CA GLY A 68 -25.675 0.747 -18.490 1.00 70.12 C ATOM 1073 C GLY A 68 -24.636 1.847 -18.409 1.00 3.35 C ATOM 1074 O GLY A 68 -24.945 3.018 -18.628 1.00 44.10 O ATOM 0 H GLY A 68 -25.607 -1.182 -17.675 1.00 22.12 H new ATOM 0 HA2 GLY A 68 -25.567 0.218 -19.437 1.00 70.12 H new ATOM 0 HA3 GLY A 68 -26.671 1.191 -18.485 1.00 70.12 H new ATOM 1078 N GLN A 69 -23.401 1.471 -18.090 1.00 74.14 N ATOM 1079 CA GLN A 69 -22.314 2.436 -17.978 1.00 31.11 C ATOM 1080 C GLN A 69 -21.271 2.210 -19.067 1.00 25.42 C ATOM 1081 O GLN A 69 -21.164 1.117 -19.621 1.00 75.44 O ATOM 1082 CB GLN A 69 -21.659 2.339 -16.599 1.00 41.40 C ATOM 1083 CG GLN A 69 -22.523 2.889 -15.475 1.00 64.12 C ATOM 1084 CD GLN A 69 -21.813 2.879 -14.136 1.00 1.24 C ATOM 1085 OE1 GLN A 69 -21.281 3.898 -13.695 1.00 5.23 O ATOM 1086 NE2 GLN A 69 -21.802 1.725 -13.480 1.00 22.34 N ATOM 0 H GLN A 69 -23.129 0.506 -17.905 1.00 74.14 H new ATOM 0 HA GLN A 69 -22.733 3.434 -18.104 1.00 31.11 H new ATOM 0 HB2 GLN A 69 -21.426 1.295 -16.389 1.00 41.40 H new ATOM 0 HB3 GLN A 69 -20.713 2.880 -16.617 1.00 41.40 H new ATOM 0 HG2 GLN A 69 -22.821 3.909 -15.717 1.00 64.12 H new ATOM 0 HG3 GLN A 69 -23.437 2.299 -15.402 1.00 64.12 H new ATOM 0 HE21 GLN A 69 -22.256 0.905 -13.883 1.00 22.34 H new ATOM 0 HE22 GLN A 69 -21.340 1.658 -12.573 1.00 22.34 H new ATOM 1095 N GLY A 70 -20.501 3.251 -19.368 1.00 53.45 N ATOM 1096 CA GLY A 70 -19.476 3.146 -20.390 1.00 74.54 C ATOM 1097 C GLY A 70 -18.145 2.684 -19.831 1.00 13.11 C ATOM 1098 O GLY A 70 -17.128 2.722 -20.521 1.00 61.43 O ATOM 0 H GLY A 70 -20.569 4.166 -18.922 1.00 53.45 H new ATOM 0 HA2 GLY A 70 -19.805 2.448 -21.160 1.00 74.54 H new ATOM 0 HA3 GLY A 70 -19.347 4.115 -20.872 1.00 74.54 H new ATOM 1102 N ASN A 71 -18.152 2.249 -18.575 1.00 41.10 N ATOM 1103 CA ASN A 71 -16.935 1.781 -17.922 1.00 61.40 C ATOM 1104 C ASN A 71 -16.401 0.524 -18.603 1.00 40.35 C ATOM 1105 O ASN A 71 -15.290 0.075 -18.319 1.00 74.31 O ATOM 1106 CB ASN A 71 -17.202 1.497 -16.442 1.00 43.53 C ATOM 1107 CG ASN A 71 -18.011 0.232 -16.233 1.00 24.14 C ATOM 1108 OD1 ASN A 71 -19.168 0.284 -15.817 1.00 73.40 O ATOM 1109 ND2 ASN A 71 -17.402 -0.913 -16.520 1.00 34.13 N ATOM 0 H ASN A 71 -18.986 2.211 -17.990 1.00 41.10 H new ATOM 0 HA ASN A 71 -16.183 2.566 -18.005 1.00 61.40 H new ATOM 0 HB2 ASN A 71 -16.252 1.409 -15.915 1.00 43.53 H new ATOM 0 HB3 ASN A 71 -17.733 2.341 -16.003 1.00 43.53 H new ATOM 0 HD21 ASN A 71 -17.895 -1.797 -16.398 1.00 34.13 H new ATOM 0 HD22 ASN A 71 -16.441 -0.908 -16.863 1.00 34.13 H new ATOM 1116 N CYS A 72 -17.199 -0.038 -19.505 1.00 51.30 N ATOM 1117 CA CYS A 72 -16.808 -1.242 -20.228 1.00 55.10 C ATOM 1118 C CYS A 72 -16.344 -0.901 -21.641 1.00 71.32 C ATOM 1119 O CYS A 72 -16.809 0.068 -22.242 1.00 24.20 O ATOM 1120 CB CYS A 72 -17.977 -2.228 -20.287 1.00 24.10 C ATOM 1121 SG CYS A 72 -18.839 -2.455 -18.699 1.00 14.44 S ATOM 0 H CYS A 72 -18.121 0.322 -19.753 1.00 51.30 H new ATOM 0 HA CYS A 72 -15.978 -1.704 -19.694 1.00 55.10 H new ATOM 0 HB2 CYS A 72 -18.694 -1.881 -21.031 1.00 24.10 H new ATOM 0 HB3 CYS A 72 -17.606 -3.195 -20.628 1.00 24.10 H new ATOM 1126 N TYR A 73 -15.426 -1.705 -22.166 1.00 4.14 N ATOM 1127 CA TYR A 73 -14.896 -1.488 -23.507 1.00 35.11 C ATOM 1128 C TYR A 73 -14.378 -2.792 -24.106 1.00 34.24 C ATOM 1129 O TYR A 73 -13.951 -3.694 -23.385 1.00 22.04 O ATOM 1130 CB TYR A 73 -13.775 -0.448 -23.474 1.00 31.35 C ATOM 1131 CG TYR A 73 -14.019 0.674 -22.490 1.00 23.33 C ATOM 1132 CD1 TYR A 73 -13.751 0.508 -21.136 1.00 51.15 C ATOM 1133 CD2 TYR A 73 -14.516 1.900 -22.914 1.00 23.01 C ATOM 1134 CE1 TYR A 73 -13.973 1.530 -20.234 1.00 40.32 C ATOM 1135 CE2 TYR A 73 -14.739 2.928 -22.019 1.00 13.32 C ATOM 1136 CZ TYR A 73 -14.467 2.738 -20.680 1.00 42.41 C ATOM 1137 OH TYR A 73 -14.688 3.760 -19.785 1.00 21.44 O ATOM 0 H TYR A 73 -15.033 -2.513 -21.683 1.00 4.14 H new ATOM 0 HA TYR A 73 -15.707 -1.118 -24.134 1.00 35.11 H new ATOM 0 HB2 TYR A 73 -12.838 -0.944 -23.222 1.00 31.35 H new ATOM 0 HB3 TYR A 73 -13.653 -0.025 -24.471 1.00 31.35 H new ATOM 0 HD1 TYR A 73 -13.363 -0.436 -20.784 1.00 51.15 H new ATOM 0 HD2 TYR A 73 -14.732 2.052 -23.961 1.00 23.01 H new ATOM 0 HE1 TYR A 73 -13.761 1.384 -19.185 1.00 40.32 H new ATOM 0 HE2 TYR A 73 -15.124 3.876 -22.366 1.00 13.32 H new ATOM 0 HH TYR A 73 -13.847 3.991 -19.338 1.00 21.44 H new ATOM 1147 N LYS A 74 -14.419 -2.885 -25.430 1.00 54.44 N ATOM 1148 CA LYS A 74 -13.953 -4.076 -26.130 1.00 31.25 C ATOM 1149 C LYS A 74 -12.718 -3.766 -26.970 1.00 15.22 C ATOM 1150 O LYS A 74 -12.625 -2.703 -27.584 1.00 73.23 O ATOM 1151 CB LYS A 74 -15.063 -4.636 -27.022 1.00 60.01 C ATOM 1152 CG LYS A 74 -16.026 -5.555 -26.291 1.00 12.12 C ATOM 1153 CD LYS A 74 -17.380 -5.604 -26.978 1.00 74.22 C ATOM 1154 CE LYS A 74 -18.495 -5.920 -25.992 1.00 62.24 C ATOM 1155 NZ LYS A 74 -19.790 -5.315 -26.407 1.00 55.41 N ATOM 0 H LYS A 74 -14.771 -2.148 -26.041 1.00 54.44 H new ATOM 0 HA LYS A 74 -13.684 -4.823 -25.383 1.00 31.25 H new ATOM 0 HB2 LYS A 74 -15.623 -3.807 -27.454 1.00 60.01 H new ATOM 0 HB3 LYS A 74 -14.611 -5.182 -27.850 1.00 60.01 H new ATOM 0 HG2 LYS A 74 -15.605 -6.559 -26.242 1.00 12.12 H new ATOM 0 HG3 LYS A 74 -16.150 -5.211 -25.264 1.00 12.12 H new ATOM 0 HD2 LYS A 74 -17.579 -4.647 -27.460 1.00 74.22 H new ATOM 0 HD3 LYS A 74 -17.363 -6.359 -27.764 1.00 74.22 H new ATOM 0 HE2 LYS A 74 -18.610 -7.001 -25.907 1.00 62.24 H new ATOM 0 HE3 LYS A 74 -18.222 -5.550 -25.004 1.00 62.24 H new ATOM 0 HZ1 LYS A 74 -20.436 -5.284 -25.592 1.00 55.41 H new ATOM 0 HZ2 LYS A 74 -19.626 -4.349 -26.756 1.00 55.41 H new ATOM 0 HZ3 LYS A 74 -20.215 -5.889 -27.163 1.00 55.41 H new ATOM 1169 N SER A 75 -11.774 -4.700 -26.993 1.00 63.41 N ATOM 1170 CA SER A 75 -10.544 -4.525 -27.757 1.00 23.25 C ATOM 1171 C SER A 75 -10.806 -4.677 -29.252 1.00 31.32 C ATOM 1172 O SER A 75 -11.373 -5.675 -29.695 1.00 64.21 O ATOM 1173 CB SER A 75 -9.490 -5.539 -27.306 1.00 72.13 C ATOM 1174 OG SER A 75 -9.772 -6.829 -27.820 1.00 63.33 O ATOM 0 H SER A 75 -11.837 -5.586 -26.492 1.00 63.41 H new ATOM 0 HA SER A 75 -10.171 -3.518 -27.572 1.00 23.25 H new ATOM 0 HB2 SER A 75 -8.504 -5.218 -27.642 1.00 72.13 H new ATOM 0 HB3 SER A 75 -9.459 -5.577 -26.217 1.00 72.13 H new ATOM 0 HG SER A 75 -9.075 -7.086 -28.459 1.00 63.33 H new ATOM 1180 N ASN A 76 -10.389 -3.679 -30.024 1.00 12.02 N ATOM 1181 CA ASN A 76 -10.579 -3.700 -31.470 1.00 31.33 C ATOM 1182 C ASN A 76 -9.562 -4.620 -32.138 1.00 41.04 C ATOM 1183 O ASN A 76 -9.510 -4.718 -33.364 1.00 60.03 O ATOM 1184 CB ASN A 76 -10.458 -2.286 -32.042 1.00 35.43 C ATOM 1185 CG ASN A 76 -11.775 -1.534 -32.007 1.00 60.51 C ATOM 1186 OD1 ASN A 76 -12.817 -2.067 -32.389 1.00 70.22 O ATOM 1187 ND2 ASN A 76 -11.733 -0.289 -31.548 1.00 20.22 N ATOM 0 H ASN A 76 -9.917 -2.846 -29.673 1.00 12.02 H new ATOM 0 HA ASN A 76 -11.579 -4.083 -31.675 1.00 31.33 H new ATOM 0 HB2 ASN A 76 -9.710 -1.731 -31.476 1.00 35.43 H new ATOM 0 HB3 ASN A 76 -10.102 -2.342 -33.071 1.00 35.43 H new ATOM 0 HD21 ASN A 76 -12.587 0.266 -31.501 1.00 20.22 H new ATOM 0 HD22 ASN A 76 -10.847 0.112 -31.242 1.00 20.22 H new ATOM 1194 N SER A 77 -8.755 -5.293 -31.324 1.00 10.52 N ATOM 1195 CA SER A 77 -7.737 -6.202 -31.836 1.00 21.20 C ATOM 1196 C SER A 77 -7.642 -7.454 -30.970 1.00 22.44 C ATOM 1197 O SER A 77 -7.578 -7.371 -29.743 1.00 40.32 O ATOM 1198 CB SER A 77 -6.378 -5.502 -31.891 1.00 1.34 C ATOM 1199 OG SER A 77 -6.318 -4.433 -30.962 1.00 45.45 O ATOM 0 H SER A 77 -8.787 -5.226 -30.307 1.00 10.52 H new ATOM 0 HA SER A 77 -8.025 -6.499 -32.844 1.00 21.20 H new ATOM 0 HB2 SER A 77 -5.586 -6.220 -31.676 1.00 1.34 H new ATOM 0 HB3 SER A 77 -6.200 -5.124 -32.898 1.00 1.34 H new ATOM 0 HG SER A 77 -5.439 -4.003 -31.015 1.00 45.45 H new ATOM 1205 N SER A 78 -7.633 -8.615 -31.617 1.00 71.12 N ATOM 1206 CA SER A 78 -7.550 -9.886 -30.907 1.00 62.02 C ATOM 1207 C SER A 78 -6.372 -9.890 -29.937 1.00 71.22 C ATOM 1208 O SER A 78 -5.398 -9.162 -30.124 1.00 0.23 O ATOM 1209 CB SER A 78 -7.411 -11.041 -31.901 1.00 20.35 C ATOM 1210 OG SER A 78 -6.095 -11.112 -32.420 1.00 44.54 O ATOM 0 H SER A 78 -7.682 -8.702 -32.632 1.00 71.12 H new ATOM 0 HA SER A 78 -8.469 -10.016 -30.336 1.00 62.02 H new ATOM 0 HB2 SER A 78 -7.662 -11.981 -31.409 1.00 20.35 H new ATOM 0 HB3 SER A 78 -8.121 -10.909 -32.718 1.00 20.35 H new ATOM 0 HG SER A 78 -6.032 -11.859 -33.051 1.00 44.54 H new ATOM 1216 N MET A 79 -6.470 -10.716 -28.901 1.00 32.41 N ATOM 1217 CA MET A 79 -5.413 -10.817 -27.902 1.00 21.15 C ATOM 1218 C MET A 79 -5.297 -12.244 -27.375 1.00 2.12 C ATOM 1219 O MET A 79 -6.303 -12.913 -27.138 1.00 13.43 O ATOM 1220 CB MET A 79 -5.683 -9.854 -26.744 1.00 22.02 C ATOM 1221 CG MET A 79 -5.135 -8.455 -26.977 1.00 35.22 C ATOM 1222 SD MET A 79 -6.412 -7.185 -26.881 1.00 22.10 S ATOM 1223 CE MET A 79 -5.978 -6.385 -25.338 1.00 74.40 C ATOM 0 H MET A 79 -7.270 -11.325 -28.731 1.00 32.41 H new ATOM 0 HA MET A 79 -4.470 -10.547 -28.378 1.00 21.15 H new ATOM 0 HB2 MET A 79 -6.758 -9.791 -26.578 1.00 22.02 H new ATOM 0 HB3 MET A 79 -5.243 -10.261 -25.834 1.00 22.02 H new ATOM 0 HG2 MET A 79 -4.362 -8.244 -26.238 1.00 35.22 H new ATOM 0 HG3 MET A 79 -4.660 -8.414 -27.957 1.00 35.22 H new ATOM 0 HE1 MET A 79 -6.881 -6.209 -24.753 1.00 74.40 H new ATOM 0 HE2 MET A 79 -5.300 -7.025 -24.774 1.00 74.40 H new ATOM 0 HE3 MET A 79 -5.489 -5.433 -25.546 1.00 74.40 H new ATOM 1233 N HIS A 80 -4.063 -12.705 -27.194 1.00 51.21 N ATOM 1234 CA HIS A 80 -3.816 -14.053 -26.695 1.00 10.21 C ATOM 1235 C HIS A 80 -4.254 -14.182 -25.239 1.00 43.20 C ATOM 1236 O HIS A 80 -3.726 -13.500 -24.360 1.00 21.33 O ATOM 1237 CB HIS A 80 -2.334 -14.405 -26.827 1.00 40.21 C ATOM 1238 CG HIS A 80 -1.723 -13.951 -28.117 1.00 54.03 C ATOM 1239 ND1 HIS A 80 -0.549 -13.232 -28.182 1.00 44.00 N ATOM 1240 CD2 HIS A 80 -2.131 -14.119 -29.397 1.00 63.40 C ATOM 1241 CE1 HIS A 80 -0.261 -12.976 -29.446 1.00 24.23 C ATOM 1242 NE2 HIS A 80 -1.205 -13.504 -30.203 1.00 61.44 N ATOM 0 H HIS A 80 -3.219 -12.165 -27.385 1.00 51.21 H new ATOM 0 HA HIS A 80 -4.402 -14.749 -27.295 1.00 10.21 H new ATOM 0 HB2 HIS A 80 -1.787 -13.956 -25.998 1.00 40.21 H new ATOM 0 HB3 HIS A 80 -2.216 -15.485 -26.739 1.00 40.21 H new ATOM 0 HD2 HIS A 80 -3.019 -14.640 -29.723 1.00 63.40 H new ATOM 0 HE1 HIS A 80 0.600 -12.428 -29.800 1.00 24.23 H new ATOM 0 HE2 HIS A 80 -1.241 -13.462 -31.222 1.00 61.44 H new ATOM 1250 N ILE A 81 -5.221 -15.059 -24.993 1.00 11.34 N ATOM 1251 CA ILE A 81 -5.729 -15.276 -23.644 1.00 22.33 C ATOM 1252 C ILE A 81 -5.900 -16.764 -23.354 1.00 53.42 C ATOM 1253 O ILE A 81 -6.067 -17.571 -24.269 1.00 55.01 O ATOM 1254 CB ILE A 81 -7.077 -14.564 -23.428 1.00 10.01 C ATOM 1255 CG1 ILE A 81 -8.192 -15.297 -24.177 1.00 44.13 C ATOM 1256 CG2 ILE A 81 -6.989 -13.115 -23.883 1.00 53.10 C ATOM 1257 CD1 ILE A 81 -8.088 -15.177 -25.682 1.00 33.34 C ATOM 0 H ILE A 81 -5.668 -15.631 -25.710 1.00 11.34 H new ATOM 0 HA ILE A 81 -4.993 -14.857 -22.958 1.00 22.33 H new ATOM 0 HB ILE A 81 -7.312 -14.577 -22.364 1.00 10.01 H new ATOM 0 HG12 ILE A 81 -8.171 -16.352 -23.902 1.00 44.13 H new ATOM 0 HG13 ILE A 81 -9.156 -14.903 -23.855 1.00 44.13 H new ATOM 0 HG21 ILE A 81 -7.949 -12.625 -23.724 1.00 53.10 H new ATOM 0 HG22 ILE A 81 -6.219 -12.599 -23.309 1.00 53.10 H new ATOM 0 HG23 ILE A 81 -6.735 -13.081 -24.943 1.00 53.10 H new ATOM 0 HD11 ILE A 81 -8.910 -15.720 -26.148 1.00 33.34 H new ATOM 0 HD12 ILE A 81 -8.139 -14.126 -25.968 1.00 33.34 H new ATOM 0 HD13 ILE A 81 -7.140 -15.598 -26.016 1.00 33.34 H new ATOM 1269 N THR A 82 -5.860 -17.120 -22.074 1.00 64.52 N ATOM 1270 CA THR A 82 -6.011 -18.510 -21.663 1.00 31.40 C ATOM 1271 C THR A 82 -7.299 -18.713 -20.872 1.00 43.43 C ATOM 1272 O THR A 82 -7.417 -18.258 -19.734 1.00 55.14 O ATOM 1273 CB THR A 82 -4.818 -18.976 -20.807 1.00 71.54 C ATOM 1274 OG1 THR A 82 -3.649 -19.104 -21.625 1.00 33.13 O ATOM 1275 CG2 THR A 82 -5.121 -20.307 -20.135 1.00 71.25 C ATOM 0 H THR A 82 -5.724 -16.465 -21.304 1.00 64.52 H new ATOM 0 HA THR A 82 -6.050 -19.106 -22.575 1.00 31.40 H new ATOM 0 HB THR A 82 -4.640 -18.229 -20.034 1.00 71.54 H new ATOM 0 HG1 THR A 82 -3.335 -20.032 -21.604 1.00 33.13 H new ATOM 0 HG21 THR A 82 -4.264 -20.616 -19.536 1.00 71.25 H new ATOM 0 HG22 THR A 82 -5.994 -20.199 -19.491 1.00 71.25 H new ATOM 0 HG23 THR A 82 -5.322 -21.061 -20.896 1.00 71.25 H new ATOM 1283 N ASP A 83 -8.260 -19.398 -21.482 1.00 10.35 N ATOM 1284 CA ASP A 83 -9.539 -19.662 -20.833 1.00 52.11 C ATOM 1285 C ASP A 83 -9.368 -20.634 -19.670 1.00 13.22 C ATOM 1286 O ASP A 83 -8.743 -21.685 -19.812 1.00 21.11 O ATOM 1287 CB ASP A 83 -10.540 -20.226 -21.843 1.00 31.24 C ATOM 1288 CG ASP A 83 -11.942 -19.690 -21.630 1.00 0.22 C ATOM 1289 OD1 ASP A 83 -12.451 -19.792 -20.494 1.00 4.14 O ATOM 1290 OD2 ASP A 83 -12.530 -19.167 -22.599 1.00 52.02 O ATOM 0 H ASP A 83 -8.178 -19.780 -22.424 1.00 10.35 H new ATOM 0 HA ASP A 83 -9.922 -18.719 -20.441 1.00 52.11 H new ATOM 0 HB2 ASP A 83 -10.210 -19.981 -22.853 1.00 31.24 H new ATOM 0 HB3 ASP A 83 -10.554 -21.313 -21.767 1.00 31.24 H new ATOM 1295 N CYS A 84 -9.927 -20.275 -18.519 1.00 32.22 N ATOM 1296 CA CYS A 84 -9.836 -21.114 -17.330 1.00 10.22 C ATOM 1297 C CYS A 84 -11.206 -21.285 -16.679 1.00 25.32 C ATOM 1298 O CYS A 84 -11.692 -20.391 -15.987 1.00 5.24 O ATOM 1299 CB CYS A 84 -8.854 -20.506 -16.326 1.00 34.43 C ATOM 1300 SG CYS A 84 -7.144 -20.384 -16.939 1.00 45.05 S ATOM 0 H CYS A 84 -10.448 -19.408 -18.385 1.00 32.22 H new ATOM 0 HA CYS A 84 -9.473 -22.096 -17.635 1.00 10.22 H new ATOM 0 HB2 CYS A 84 -9.202 -19.510 -16.051 1.00 34.43 H new ATOM 0 HB3 CYS A 84 -8.861 -21.108 -15.417 1.00 34.43 H new ATOM 1305 N ARG A 85 -11.822 -22.441 -16.906 1.00 41.40 N ATOM 1306 CA ARG A 85 -13.135 -22.729 -16.343 1.00 33.41 C ATOM 1307 C ARG A 85 -13.140 -24.084 -15.640 1.00 4.42 C ATOM 1308 O ARG A 85 -12.558 -25.052 -16.131 1.00 3.13 O ATOM 1309 CB ARG A 85 -14.200 -22.710 -17.441 1.00 52.41 C ATOM 1310 CG ARG A 85 -15.538 -23.283 -17.003 1.00 2.02 C ATOM 1311 CD ARG A 85 -16.430 -23.589 -18.195 1.00 55.23 C ATOM 1312 NE ARG A 85 -17.571 -24.423 -17.826 1.00 11.43 N ATOM 1313 CZ ARG A 85 -18.500 -24.822 -18.688 1.00 4.34 C ATOM 1314 NH1 ARG A 85 -18.423 -24.465 -19.962 1.00 64.34 N ATOM 1315 NH2 ARG A 85 -19.508 -25.579 -18.275 1.00 62.51 N ATOM 0 H ARG A 85 -11.433 -23.192 -17.475 1.00 41.40 H new ATOM 0 HA ARG A 85 -13.365 -21.956 -15.609 1.00 33.41 H new ATOM 0 HB2 ARG A 85 -14.346 -21.683 -17.775 1.00 52.41 H new ATOM 0 HB3 ARG A 85 -13.836 -23.276 -18.299 1.00 52.41 H new ATOM 0 HG2 ARG A 85 -15.374 -24.194 -16.427 1.00 2.02 H new ATOM 0 HG3 ARG A 85 -16.040 -22.575 -16.344 1.00 2.02 H new ATOM 0 HD2 ARG A 85 -16.789 -22.655 -18.628 1.00 55.23 H new ATOM 0 HD3 ARG A 85 -15.846 -24.094 -18.964 1.00 55.23 H new ATOM 0 HE ARG A 85 -17.659 -24.715 -16.853 1.00 11.43 H new ATOM 0 HH11 ARG A 85 -17.649 -23.883 -20.283 1.00 64.34 H new ATOM 0 HH12 ARG A 85 -19.137 -24.773 -20.622 1.00 64.34 H new ATOM 0 HH21 ARG A 85 -19.570 -25.855 -17.295 1.00 62.51 H new ATOM 0 HH22 ARG A 85 -20.221 -25.885 -18.937 1.00 62.51 H new ATOM 1329 N LEU A 86 -13.799 -24.144 -14.488 1.00 24.10 N ATOM 1330 CA LEU A 86 -13.879 -25.379 -13.716 1.00 65.52 C ATOM 1331 C LEU A 86 -14.378 -26.531 -14.582 1.00 63.45 C ATOM 1332 O LEU A 86 -15.096 -26.322 -15.561 1.00 5.30 O ATOM 1333 CB LEU A 86 -14.804 -25.193 -12.513 1.00 31.24 C ATOM 1334 CG LEU A 86 -14.116 -24.989 -11.162 1.00 53.43 C ATOM 1335 CD1 LEU A 86 -15.145 -24.913 -10.045 1.00 54.22 C ATOM 1336 CD2 LEU A 86 -13.120 -26.107 -10.897 1.00 25.43 C ATOM 0 H LEU A 86 -14.286 -23.352 -14.068 1.00 24.10 H new ATOM 0 HA LEU A 86 -12.877 -25.622 -13.362 1.00 65.52 H new ATOM 0 HB2 LEU A 86 -15.447 -24.334 -12.704 1.00 31.24 H new ATOM 0 HB3 LEU A 86 -15.452 -26.066 -12.440 1.00 31.24 H new ATOM 0 HG LEU A 86 -13.572 -24.045 -11.192 1.00 53.43 H new ATOM 0 HD11 LEU A 86 -14.637 -24.768 -9.092 1.00 54.22 H new ATOM 0 HD12 LEU A 86 -15.819 -24.077 -10.228 1.00 54.22 H new ATOM 0 HD13 LEU A 86 -15.717 -25.840 -10.014 1.00 54.22 H new ATOM 0 HD21 LEU A 86 -12.640 -25.946 -9.932 1.00 25.43 H new ATOM 0 HD22 LEU A 86 -13.641 -27.064 -10.887 1.00 25.43 H new ATOM 0 HD23 LEU A 86 -12.363 -26.114 -11.682 1.00 25.43 H new ATOM 1348 N THR A 87 -13.995 -27.750 -14.215 1.00 62.53 N ATOM 1349 CA THR A 87 -14.404 -28.936 -14.958 1.00 21.14 C ATOM 1350 C THR A 87 -15.278 -29.846 -14.102 1.00 24.21 C ATOM 1351 O THR A 87 -15.532 -29.559 -12.933 1.00 45.41 O ATOM 1352 CB THR A 87 -13.185 -29.735 -15.457 1.00 10.32 C ATOM 1353 OG1 THR A 87 -11.993 -29.255 -14.824 1.00 60.55 O ATOM 1354 CG2 THR A 87 -13.045 -29.620 -16.967 1.00 60.53 C ATOM 0 H THR A 87 -13.402 -27.942 -13.408 1.00 62.53 H new ATOM 0 HA THR A 87 -14.977 -28.589 -15.817 1.00 21.14 H new ATOM 0 HB THR A 87 -13.335 -30.784 -15.201 1.00 10.32 H new ATOM 0 HG1 THR A 87 -12.137 -29.198 -13.856 1.00 60.55 H new ATOM 0 HG21 THR A 87 -12.178 -30.192 -17.297 1.00 60.53 H new ATOM 0 HG22 THR A 87 -13.942 -30.012 -17.446 1.00 60.53 H new ATOM 0 HG23 THR A 87 -12.915 -28.573 -17.242 1.00 60.53 H new ATOM 1362 N ASN A 88 -15.734 -30.946 -14.692 1.00 55.11 N ATOM 1363 CA ASN A 88 -16.580 -31.899 -13.983 1.00 13.03 C ATOM 1364 C ASN A 88 -15.884 -32.415 -12.727 1.00 41.11 C ATOM 1365 O ASN A 88 -14.703 -32.759 -12.756 1.00 51.14 O ATOM 1366 CB ASN A 88 -16.942 -33.071 -14.897 1.00 64.22 C ATOM 1367 CG ASN A 88 -17.858 -34.072 -14.220 1.00 54.40 C ATOM 1368 OD1 ASN A 88 -18.973 -33.736 -13.819 1.00 21.33 O ATOM 1369 ND2 ASN A 88 -17.391 -35.308 -14.090 1.00 14.13 N ATOM 0 H ASN A 88 -15.532 -31.199 -15.659 1.00 55.11 H new ATOM 0 HA ASN A 88 -17.493 -31.384 -13.685 1.00 13.03 H new ATOM 0 HB2 ASN A 88 -17.426 -32.690 -15.796 1.00 64.22 H new ATOM 0 HB3 ASN A 88 -16.029 -33.575 -15.215 1.00 64.22 H new ATOM 0 HD21 ASN A 88 -17.963 -36.025 -13.643 1.00 14.13 H new ATOM 0 HD22 ASN A 88 -16.461 -35.541 -14.438 1.00 14.13 H new ATOM 1376 N GLY A 89 -16.625 -32.466 -11.624 1.00 71.14 N ATOM 1377 CA GLY A 89 -16.063 -32.941 -10.374 1.00 24.51 C ATOM 1378 C GLY A 89 -14.773 -32.232 -10.011 1.00 51.14 C ATOM 1379 O GLY A 89 -13.916 -32.796 -9.332 1.00 21.42 O ATOM 0 H GLY A 89 -17.605 -32.187 -11.574 1.00 71.14 H new ATOM 0 HA2 GLY A 89 -16.790 -32.797 -9.575 1.00 24.51 H new ATOM 0 HA3 GLY A 89 -15.877 -34.013 -10.447 1.00 24.51 H new ATOM 1383 N SER A 90 -14.634 -30.991 -10.467 1.00 61.12 N ATOM 1384 CA SER A 90 -13.437 -30.205 -10.191 1.00 61.35 C ATOM 1385 C SER A 90 -13.750 -29.054 -9.240 1.00 62.23 C ATOM 1386 O SER A 90 -12.986 -28.095 -9.137 1.00 5.31 O ATOM 1387 CB SER A 90 -12.848 -29.660 -11.494 1.00 10.21 C ATOM 1388 OG SER A 90 -12.426 -30.713 -12.343 1.00 51.22 O ATOM 0 H SER A 90 -15.335 -30.508 -11.029 1.00 61.12 H new ATOM 0 HA SER A 90 -12.705 -30.858 -9.715 1.00 61.35 H new ATOM 0 HB2 SER A 90 -13.593 -29.052 -12.007 1.00 10.21 H new ATOM 0 HB3 SER A 90 -12.003 -29.008 -11.270 1.00 10.21 H new ATOM 0 HG SER A 90 -13.174 -31.327 -12.500 1.00 51.22 H new ATOM 1394 N ARG A 91 -14.879 -29.158 -8.547 1.00 52.14 N ATOM 1395 CA ARG A 91 -15.295 -28.126 -7.605 1.00 51.03 C ATOM 1396 C ARG A 91 -14.544 -28.262 -6.284 1.00 10.41 C ATOM 1397 O ARG A 91 -13.811 -29.228 -6.071 1.00 35.01 O ATOM 1398 CB ARG A 91 -16.803 -28.209 -7.358 1.00 45.52 C ATOM 1399 CG ARG A 91 -17.568 -26.993 -7.853 1.00 53.43 C ATOM 1400 CD ARG A 91 -17.115 -25.724 -7.148 1.00 51.33 C ATOM 1401 NE ARG A 91 -17.578 -25.672 -5.764 1.00 45.20 N ATOM 1402 CZ ARG A 91 -18.774 -25.219 -5.405 1.00 44.22 C ATOM 1403 NH1 ARG A 91 -19.623 -24.781 -6.324 1.00 75.31 N ATOM 1404 NH2 ARG A 91 -19.122 -25.203 -4.125 1.00 22.21 N ATOM 0 H ARG A 91 -15.522 -29.946 -8.620 1.00 52.14 H new ATOM 0 HA ARG A 91 -15.058 -27.155 -8.040 1.00 51.03 H new ATOM 0 HB2 ARG A 91 -17.195 -29.099 -7.850 1.00 45.52 H new ATOM 0 HB3 ARG A 91 -16.982 -28.330 -6.290 1.00 45.52 H new ATOM 0 HG2 ARG A 91 -17.424 -26.884 -8.928 1.00 53.43 H new ATOM 0 HG3 ARG A 91 -18.635 -27.141 -7.688 1.00 53.43 H new ATOM 0 HD2 ARG A 91 -16.027 -25.667 -7.169 1.00 51.33 H new ATOM 0 HD3 ARG A 91 -17.490 -24.855 -7.689 1.00 51.33 H new ATOM 0 HE ARG A 91 -16.948 -26.002 -5.033 1.00 45.20 H new ATOM 0 HH11 ARG A 91 -19.358 -24.791 -7.309 1.00 75.31 H new ATOM 0 HH12 ARG A 91 -20.541 -24.434 -6.046 1.00 75.31 H new ATOM 0 HH21 ARG A 91 -18.471 -25.539 -3.415 1.00 22.21 H new ATOM 0 HH22 ARG A 91 -20.041 -24.855 -3.851 1.00 22.21 H new ATOM 1418 N TYR A 92 -14.731 -27.287 -5.401 1.00 22.23 N ATOM 1419 CA TYR A 92 -14.069 -27.296 -4.102 1.00 20.14 C ATOM 1420 C TYR A 92 -14.299 -28.622 -3.382 1.00 42.41 C ATOM 1421 O TYR A 92 -15.396 -29.179 -3.389 1.00 35.12 O ATOM 1422 CB TYR A 92 -14.578 -26.140 -3.239 1.00 5.12 C ATOM 1423 CG TYR A 92 -13.683 -25.824 -2.062 1.00 1.34 C ATOM 1424 CD1 TYR A 92 -13.865 -26.454 -0.837 1.00 14.55 C ATOM 1425 CD2 TYR A 92 -12.656 -24.895 -2.174 1.00 1.31 C ATOM 1426 CE1 TYR A 92 -13.051 -26.167 0.242 1.00 20.41 C ATOM 1427 CE2 TYR A 92 -11.836 -24.603 -1.101 1.00 62.51 C ATOM 1428 CZ TYR A 92 -12.037 -25.242 0.105 1.00 73.23 C ATOM 1429 OH TYR A 92 -11.223 -24.954 1.176 1.00 14.30 O ATOM 0 H TYR A 92 -15.335 -26.481 -5.561 1.00 22.23 H new ATOM 0 HA TYR A 92 -12.999 -27.174 -4.267 1.00 20.14 H new ATOM 0 HB2 TYR A 92 -14.676 -25.250 -3.860 1.00 5.12 H new ATOM 0 HB3 TYR A 92 -15.575 -26.383 -2.872 1.00 5.12 H new ATOM 0 HD1 TYR A 92 -14.656 -27.181 -0.726 1.00 14.55 H new ATOM 0 HD2 TYR A 92 -12.496 -24.392 -3.116 1.00 1.31 H new ATOM 0 HE1 TYR A 92 -13.208 -26.664 1.188 1.00 20.41 H new ATOM 0 HE2 TYR A 92 -11.042 -23.878 -1.206 1.00 62.51 H new ATOM 0 HH TYR A 92 -10.560 -24.283 0.912 1.00 14.30 H new ATOM 1439 N PRO A 93 -13.238 -29.139 -2.745 1.00 31.32 N ATOM 1440 CA PRO A 93 -11.926 -28.485 -2.730 1.00 54.13 C ATOM 1441 C PRO A 93 -11.247 -28.519 -4.095 1.00 4.32 C ATOM 1442 O PRO A 93 -10.333 -27.740 -4.363 1.00 11.42 O ATOM 1443 CB PRO A 93 -11.130 -29.309 -1.716 1.00 31.15 C ATOM 1444 CG PRO A 93 -11.778 -30.651 -1.725 1.00 40.52 C ATOM 1445 CD PRO A 93 -13.237 -30.404 -1.990 1.00 15.41 C ATOM 0 HA PRO A 93 -12.000 -27.428 -2.475 1.00 54.13 H new ATOM 0 HB2 PRO A 93 -10.079 -29.375 -1.998 1.00 31.15 H new ATOM 0 HB3 PRO A 93 -11.167 -28.859 -0.724 1.00 31.15 H new ATOM 0 HG2 PRO A 93 -11.344 -31.289 -2.495 1.00 40.52 H new ATOM 0 HG3 PRO A 93 -11.635 -31.160 -0.772 1.00 40.52 H new ATOM 0 HD2 PRO A 93 -13.684 -31.215 -2.565 1.00 15.41 H new ATOM 0 HD3 PRO A 93 -13.805 -30.319 -1.063 1.00 15.41 H new ATOM 1453 N ASN A 94 -11.699 -29.426 -4.954 1.00 20.31 N ATOM 1454 CA ASN A 94 -11.134 -29.561 -6.291 1.00 64.25 C ATOM 1455 C ASN A 94 -11.256 -28.254 -7.068 1.00 44.31 C ATOM 1456 O ASN A 94 -12.317 -27.630 -7.093 1.00 74.53 O ATOM 1457 CB ASN A 94 -11.835 -30.687 -7.053 1.00 75.32 C ATOM 1458 CG ASN A 94 -12.331 -31.787 -6.133 1.00 44.43 C ATOM 1459 OD1 ASN A 94 -13.171 -31.553 -5.264 1.00 45.52 O ATOM 1460 ND2 ASN A 94 -11.811 -32.994 -6.321 1.00 45.10 N ATOM 0 H ASN A 94 -12.455 -30.079 -4.748 1.00 20.31 H new ATOM 0 HA ASN A 94 -10.077 -29.805 -6.188 1.00 64.25 H new ATOM 0 HB2 ASN A 94 -12.677 -30.276 -7.610 1.00 75.32 H new ATOM 0 HB3 ASN A 94 -11.146 -31.111 -7.784 1.00 75.32 H new ATOM 0 HD21 ASN A 94 -12.105 -33.773 -5.733 1.00 45.10 H new ATOM 0 HD22 ASN A 94 -11.117 -33.142 -7.054 1.00 45.10 H new ATOM 1467 N CYS A 95 -10.162 -27.844 -7.701 1.00 43.14 N ATOM 1468 CA CYS A 95 -10.145 -26.611 -8.479 1.00 64.04 C ATOM 1469 C CYS A 95 -9.760 -26.888 -9.930 1.00 25.42 C ATOM 1470 O CYS A 95 -9.370 -25.981 -10.664 1.00 0.33 O ATOM 1471 CB CYS A 95 -9.167 -25.608 -7.864 1.00 22.35 C ATOM 1472 SG CYS A 95 -9.684 -24.967 -6.239 1.00 33.22 S ATOM 0 H CYS A 95 -9.275 -28.348 -7.690 1.00 43.14 H new ATOM 0 HA CYS A 95 -11.149 -26.187 -8.462 1.00 64.04 H new ATOM 0 HB2 CYS A 95 -8.192 -26.084 -7.762 1.00 22.35 H new ATOM 0 HB3 CYS A 95 -9.043 -24.770 -8.550 1.00 22.35 H new ATOM 1477 N ALA A 96 -9.872 -28.149 -10.335 1.00 70.03 N ATOM 1478 CA ALA A 96 -9.538 -28.546 -11.697 1.00 53.15 C ATOM 1479 C ALA A 96 -10.260 -27.670 -12.717 1.00 25.43 C ATOM 1480 O ALA A 96 -11.466 -27.805 -12.922 1.00 70.30 O ATOM 1481 CB ALA A 96 -9.883 -30.011 -11.920 1.00 20.13 C ATOM 0 H ALA A 96 -10.191 -28.913 -9.739 1.00 70.03 H new ATOM 0 HA ALA A 96 -8.465 -28.412 -11.835 1.00 53.15 H new ATOM 0 HB1 ALA A 96 -9.628 -30.293 -12.941 1.00 20.13 H new ATOM 0 HB2 ALA A 96 -9.318 -30.628 -11.221 1.00 20.13 H new ATOM 0 HB3 ALA A 96 -10.950 -30.162 -11.757 1.00 20.13 H new ATOM 1487 N TYR A 97 -9.514 -26.773 -13.352 1.00 23.33 N ATOM 1488 CA TYR A 97 -10.083 -25.873 -14.347 1.00 71.25 C ATOM 1489 C TYR A 97 -9.786 -26.366 -15.760 1.00 42.25 C ATOM 1490 O TYR A 97 -9.116 -27.381 -15.948 1.00 24.44 O ATOM 1491 CB TYR A 97 -9.531 -24.459 -14.162 1.00 13.31 C ATOM 1492 CG TYR A 97 -9.638 -23.948 -12.743 1.00 32.54 C ATOM 1493 CD1 TYR A 97 -10.851 -23.973 -12.064 1.00 63.43 C ATOM 1494 CD2 TYR A 97 -8.528 -23.441 -12.080 1.00 45.43 C ATOM 1495 CE1 TYR A 97 -10.954 -23.508 -10.768 1.00 5.43 C ATOM 1496 CE2 TYR A 97 -8.621 -22.974 -10.783 1.00 63.23 C ATOM 1497 CZ TYR A 97 -9.836 -23.010 -10.131 1.00 43.54 C ATOM 1498 OH TYR A 97 -9.933 -22.544 -8.840 1.00 21.50 O ATOM 0 H TYR A 97 -8.514 -26.650 -13.195 1.00 23.33 H new ATOM 0 HA TYR A 97 -11.164 -25.855 -14.207 1.00 71.25 H new ATOM 0 HB2 TYR A 97 -8.485 -24.444 -14.467 1.00 13.31 H new ATOM 0 HB3 TYR A 97 -10.066 -23.779 -14.825 1.00 13.31 H new ATOM 0 HD1 TYR A 97 -11.728 -24.363 -12.559 1.00 63.43 H new ATOM 0 HD2 TYR A 97 -7.575 -23.411 -12.587 1.00 45.43 H new ATOM 0 HE1 TYR A 97 -11.904 -23.534 -10.256 1.00 5.43 H new ATOM 0 HE2 TYR A 97 -7.747 -22.583 -10.283 1.00 63.23 H new ATOM 0 HH TYR A 97 -10.640 -23.032 -8.368 1.00 21.50 H new ATOM 1508 N ARG A 98 -10.289 -25.638 -16.752 1.00 11.21 N ATOM 1509 CA ARG A 98 -10.079 -26.000 -18.148 1.00 42.35 C ATOM 1510 C ARG A 98 -9.250 -24.938 -18.866 1.00 72.33 C ATOM 1511 O ARG A 98 -9.701 -23.809 -19.061 1.00 11.11 O ATOM 1512 CB ARG A 98 -11.422 -26.180 -18.859 1.00 2.14 C ATOM 1513 CG ARG A 98 -11.770 -27.632 -19.143 1.00 15.24 C ATOM 1514 CD ARG A 98 -11.464 -28.006 -20.584 1.00 72.43 C ATOM 1515 NE ARG A 98 -10.289 -28.868 -20.688 1.00 55.12 N ATOM 1516 CZ ARG A 98 -10.074 -29.698 -21.703 1.00 13.03 C ATOM 1517 NH1 ARG A 98 -10.950 -29.778 -22.695 1.00 63.02 N ATOM 1518 NH2 ARG A 98 -8.981 -30.450 -21.726 1.00 12.20 N ATOM 0 H ARG A 98 -10.845 -24.794 -16.614 1.00 11.21 H new ATOM 0 HA ARG A 98 -9.533 -26.943 -18.174 1.00 42.35 H new ATOM 0 HB2 ARG A 98 -12.209 -25.739 -18.248 1.00 2.14 H new ATOM 0 HB3 ARG A 98 -11.403 -25.629 -19.799 1.00 2.14 H new ATOM 0 HG2 ARG A 98 -11.208 -28.280 -18.471 1.00 15.24 H new ATOM 0 HG3 ARG A 98 -12.827 -27.801 -18.939 1.00 15.24 H new ATOM 0 HD2 ARG A 98 -12.326 -28.514 -21.018 1.00 72.43 H new ATOM 0 HD3 ARG A 98 -11.301 -27.100 -21.167 1.00 72.43 H new ATOM 0 HE ARG A 98 -9.596 -28.831 -19.941 1.00 55.12 H new ATOM 0 HH11 ARG A 98 -11.791 -29.202 -22.680 1.00 63.02 H new ATOM 0 HH12 ARG A 98 -10.783 -30.416 -23.473 1.00 63.02 H new ATOM 0 HH21 ARG A 98 -8.305 -30.391 -20.964 1.00 12.20 H new ATOM 0 HH22 ARG A 98 -8.817 -31.087 -22.505 1.00 12.20 H new ATOM 1532 N THR A 99 -8.035 -25.308 -19.258 1.00 22.41 N ATOM 1533 CA THR A 99 -7.142 -24.389 -19.952 1.00 54.22 C ATOM 1534 C THR A 99 -7.352 -24.453 -21.461 1.00 11.13 C ATOM 1535 O THR A 99 -6.901 -25.389 -22.121 1.00 5.24 O ATOM 1536 CB THR A 99 -5.666 -24.694 -19.637 1.00 43.32 C ATOM 1537 OG1 THR A 99 -5.506 -24.950 -18.237 1.00 51.24 O ATOM 1538 CG2 THR A 99 -4.773 -23.533 -20.050 1.00 55.15 C ATOM 0 H THR A 99 -7.647 -26.239 -19.106 1.00 22.41 H new ATOM 0 HA THR A 99 -7.382 -23.387 -19.597 1.00 54.22 H new ATOM 0 HB THR A 99 -5.372 -25.578 -20.204 1.00 43.32 H new ATOM 0 HG1 THR A 99 -4.956 -25.751 -18.112 1.00 51.24 H new ATOM 0 HG21 THR A 99 -3.735 -23.772 -19.818 1.00 55.15 H new ATOM 0 HG22 THR A 99 -4.874 -23.359 -21.121 1.00 55.15 H new ATOM 0 HG23 THR A 99 -5.069 -22.635 -19.507 1.00 55.15 H new ATOM 1546 N SER A 100 -8.039 -23.452 -22.001 1.00 54.30 N ATOM 1547 CA SER A 100 -8.312 -23.396 -23.433 1.00 24.35 C ATOM 1548 C SER A 100 -7.482 -22.304 -24.101 1.00 70.54 C ATOM 1549 O SER A 100 -7.810 -21.119 -24.048 1.00 33.11 O ATOM 1550 CB SER A 100 -9.800 -23.146 -23.681 1.00 13.43 C ATOM 1551 OG SER A 100 -10.153 -23.450 -25.019 1.00 64.31 O ATOM 0 H SER A 100 -8.417 -22.668 -21.469 1.00 54.30 H new ATOM 0 HA SER A 100 -8.036 -24.356 -23.869 1.00 24.35 H new ATOM 0 HB2 SER A 100 -10.393 -23.755 -22.998 1.00 13.43 H new ATOM 0 HB3 SER A 100 -10.037 -22.104 -23.467 1.00 13.43 H new ATOM 0 HG SER A 100 -11.110 -23.283 -25.151 1.00 64.31 H new ATOM 1557 N PRO A 101 -6.380 -22.712 -24.747 1.00 64.44 N ATOM 1558 CA PRO A 101 -5.479 -21.786 -25.440 1.00 54.40 C ATOM 1559 C PRO A 101 -6.112 -21.190 -26.693 1.00 74.52 C ATOM 1560 O PRO A 101 -6.295 -21.880 -27.697 1.00 4.01 O ATOM 1561 CB PRO A 101 -4.282 -22.665 -25.811 1.00 55.53 C ATOM 1562 CG PRO A 101 -4.835 -24.046 -25.884 1.00 20.15 C ATOM 1563 CD PRO A 101 -5.927 -24.110 -24.852 1.00 12.21 C ATOM 0 HA PRO A 101 -5.219 -20.929 -24.818 1.00 54.40 H new ATOM 0 HB2 PRO A 101 -3.848 -22.361 -26.764 1.00 55.53 H new ATOM 0 HB3 PRO A 101 -3.492 -22.594 -25.064 1.00 55.53 H new ATOM 0 HG2 PRO A 101 -5.226 -24.258 -26.879 1.00 20.15 H new ATOM 0 HG3 PRO A 101 -4.062 -24.787 -25.681 1.00 20.15 H new ATOM 0 HD2 PRO A 101 -6.735 -24.772 -25.163 1.00 12.21 H new ATOM 0 HD3 PRO A 101 -5.557 -24.485 -23.898 1.00 12.21 H new ATOM 1571 N LYS A 102 -6.446 -19.906 -26.629 1.00 44.12 N ATOM 1572 CA LYS A 102 -7.057 -19.216 -27.759 1.00 60.30 C ATOM 1573 C LYS A 102 -6.577 -17.770 -27.838 1.00 74.42 C ATOM 1574 O LYS A 102 -5.862 -17.296 -26.957 1.00 1.22 O ATOM 1575 CB LYS A 102 -8.582 -19.253 -27.641 1.00 33.12 C ATOM 1576 CG LYS A 102 -9.168 -20.650 -27.756 1.00 2.22 C ATOM 1577 CD LYS A 102 -9.619 -20.950 -29.175 1.00 61.23 C ATOM 1578 CE LYS A 102 -8.548 -21.700 -29.954 1.00 13.34 C ATOM 1579 NZ LYS A 102 -9.124 -22.814 -30.756 1.00 60.13 N ATOM 0 H LYS A 102 -6.304 -19.321 -25.805 1.00 44.12 H new ATOM 0 HA LYS A 102 -6.757 -19.730 -28.672 1.00 60.30 H new ATOM 0 HB2 LYS A 102 -8.874 -18.823 -26.683 1.00 33.12 H new ATOM 0 HB3 LYS A 102 -9.013 -18.622 -28.418 1.00 33.12 H new ATOM 0 HG2 LYS A 102 -8.424 -21.384 -27.447 1.00 2.22 H new ATOM 0 HG3 LYS A 102 -10.014 -20.748 -27.076 1.00 2.22 H new ATOM 0 HD2 LYS A 102 -10.534 -21.542 -29.150 1.00 61.23 H new ATOM 0 HD3 LYS A 102 -9.857 -20.018 -29.687 1.00 61.23 H new ATOM 0 HE2 LYS A 102 -8.028 -21.007 -30.616 1.00 13.34 H new ATOM 0 HE3 LYS A 102 -7.806 -22.097 -29.261 1.00 13.34 H new ATOM 0 HZ1 LYS A 102 -8.363 -23.300 -31.272 1.00 60.13 H new ATOM 0 HZ2 LYS A 102 -9.599 -23.489 -30.123 1.00 60.13 H new ATOM 0 HZ3 LYS A 102 -9.814 -22.433 -31.435 1.00 60.13 H new ATOM 1593 N GLU A 103 -6.978 -17.076 -28.899 1.00 2.03 N ATOM 1594 CA GLU A 103 -6.588 -15.684 -29.091 1.00 14.01 C ATOM 1595 C GLU A 103 -7.720 -14.886 -29.733 1.00 64.34 C ATOM 1596 O GLU A 103 -8.046 -15.085 -30.904 1.00 14.44 O ATOM 1597 CB GLU A 103 -5.332 -15.598 -29.960 1.00 22.03 C ATOM 1598 CG GLU A 103 -5.411 -16.430 -31.228 1.00 62.44 C ATOM 1599 CD GLU A 103 -4.261 -16.156 -32.179 1.00 33.25 C ATOM 1600 OE1 GLU A 103 -3.113 -16.508 -31.836 1.00 42.12 O ATOM 1601 OE2 GLU A 103 -4.510 -15.590 -33.263 1.00 64.35 O ATOM 0 H GLU A 103 -7.572 -17.454 -29.637 1.00 2.03 H new ATOM 0 HA GLU A 103 -6.373 -15.255 -28.112 1.00 14.01 H new ATOM 0 HB2 GLU A 103 -5.158 -14.556 -30.229 1.00 22.03 H new ATOM 0 HB3 GLU A 103 -4.472 -15.924 -29.375 1.00 22.03 H new ATOM 0 HG2 GLU A 103 -5.415 -17.488 -30.964 1.00 62.44 H new ATOM 0 HG3 GLU A 103 -6.354 -16.224 -31.735 1.00 62.44 H new ATOM 1608 N ARG A 104 -8.314 -13.984 -28.959 1.00 24.31 N ATOM 1609 CA ARG A 104 -9.409 -13.158 -29.451 1.00 12.32 C ATOM 1610 C ARG A 104 -9.605 -11.931 -28.565 1.00 44.42 C ATOM 1611 O ARG A 104 -9.092 -11.871 -27.447 1.00 43.32 O ATOM 1612 CB ARG A 104 -10.704 -13.971 -29.507 1.00 50.52 C ATOM 1613 CG ARG A 104 -11.399 -13.916 -30.858 1.00 21.21 C ATOM 1614 CD ARG A 104 -10.808 -14.926 -31.829 1.00 41.14 C ATOM 1615 NE ARG A 104 -11.840 -15.603 -32.610 1.00 21.42 N ATOM 1616 CZ ARG A 104 -11.616 -16.167 -33.791 1.00 70.35 C ATOM 1617 NH1 ARG A 104 -10.403 -16.135 -34.326 1.00 31.41 N ATOM 1618 NH2 ARG A 104 -12.607 -16.765 -34.441 1.00 23.31 N ATOM 0 H ARG A 104 -8.055 -13.807 -27.988 1.00 24.31 H new ATOM 0 HA ARG A 104 -9.154 -12.823 -30.456 1.00 12.32 H new ATOM 0 HB2 ARG A 104 -10.482 -15.010 -29.264 1.00 50.52 H new ATOM 0 HB3 ARG A 104 -11.387 -13.604 -28.741 1.00 50.52 H new ATOM 0 HG2 ARG A 104 -12.463 -14.113 -30.729 1.00 21.21 H new ATOM 0 HG3 ARG A 104 -11.308 -12.913 -31.275 1.00 21.21 H new ATOM 0 HD2 ARG A 104 -10.117 -14.420 -32.503 1.00 41.14 H new ATOM 0 HD3 ARG A 104 -10.229 -15.665 -31.275 1.00 41.14 H new ATOM 0 HE ARG A 104 -12.785 -15.645 -32.227 1.00 21.42 H new ATOM 0 HH11 ARG A 104 -9.639 -15.676 -33.830 1.00 31.41 H new ATOM 0 HH12 ARG A 104 -10.234 -16.569 -35.233 1.00 31.41 H new ATOM 0 HH21 ARG A 104 -13.542 -16.792 -34.033 1.00 23.31 H new ATOM 0 HH22 ARG A 104 -12.434 -17.198 -35.348 1.00 23.31 H new ATOM 1632 N HIS A 105 -10.349 -10.953 -29.073 1.00 31.23 N ATOM 1633 CA HIS A 105 -10.612 -9.727 -28.328 1.00 33.11 C ATOM 1634 C HIS A 105 -11.150 -10.042 -26.935 1.00 64.31 C ATOM 1635 O HIS A 105 -11.394 -11.202 -26.602 1.00 25.35 O ATOM 1636 CB HIS A 105 -11.609 -8.849 -29.085 1.00 72.42 C ATOM 1637 CG HIS A 105 -11.354 -8.789 -30.560 1.00 12.22 C ATOM 1638 ND1 HIS A 105 -10.818 -7.683 -31.186 1.00 70.51 N ATOM 1639 CD2 HIS A 105 -11.563 -9.706 -31.533 1.00 35.11 C ATOM 1640 CE1 HIS A 105 -10.710 -7.923 -32.481 1.00 12.12 C ATOM 1641 NE2 HIS A 105 -11.155 -9.144 -32.717 1.00 53.33 N ATOM 0 H HIS A 105 -10.780 -10.986 -29.997 1.00 31.23 H new ATOM 0 HA HIS A 105 -9.671 -9.187 -28.222 1.00 33.11 H new ATOM 0 HB2 HIS A 105 -12.617 -9.227 -28.914 1.00 72.42 H new ATOM 0 HB3 HIS A 105 -11.574 -7.839 -28.677 1.00 72.42 H new ATOM 0 HD1 HIS A 105 -10.547 -6.816 -30.722 1.00 70.51 H new ATOM 0 HD2 HIS A 105 -11.974 -10.696 -31.402 1.00 35.11 H new ATOM 0 HE1 HIS A 105 -10.324 -7.237 -33.221 1.00 12.12 H new ATOM 1649 N ILE A 106 -11.331 -9.003 -26.127 1.00 63.30 N ATOM 1650 CA ILE A 106 -11.839 -9.170 -24.771 1.00 72.12 C ATOM 1651 C ILE A 106 -12.522 -7.898 -24.280 1.00 22.23 C ATOM 1652 O ILE A 106 -12.275 -6.809 -24.799 1.00 32.21 O ATOM 1653 CB ILE A 106 -10.713 -9.547 -23.790 1.00 75.22 C ATOM 1654 CG1 ILE A 106 -9.365 -9.043 -24.309 1.00 12.02 C ATOM 1655 CG2 ILE A 106 -10.677 -11.054 -23.580 1.00 44.50 C ATOM 1656 CD1 ILE A 106 -8.267 -9.077 -23.269 1.00 62.44 C ATOM 0 H ILE A 106 -11.133 -8.037 -26.388 1.00 63.30 H new ATOM 0 HA ILE A 106 -12.567 -9.981 -24.804 1.00 72.12 H new ATOM 0 HB ILE A 106 -10.912 -9.071 -22.830 1.00 75.22 H new ATOM 0 HG12 ILE A 106 -9.064 -9.649 -25.164 1.00 12.02 H new ATOM 0 HG13 ILE A 106 -9.482 -8.021 -24.669 1.00 12.02 H new ATOM 0 HG21 ILE A 106 -9.876 -11.305 -22.884 1.00 44.50 H new ATOM 0 HG22 ILE A 106 -11.631 -11.387 -23.171 1.00 44.50 H new ATOM 0 HG23 ILE A 106 -10.498 -11.550 -24.534 1.00 44.50 H new ATOM 0 HD11 ILE A 106 -7.340 -8.706 -23.706 1.00 62.44 H new ATOM 0 HD12 ILE A 106 -8.547 -8.448 -22.424 1.00 62.44 H new ATOM 0 HD13 ILE A 106 -8.122 -10.102 -22.926 1.00 62.44 H new ATOM 1668 N ILE A 107 -13.379 -8.044 -23.275 1.00 51.20 N ATOM 1669 CA ILE A 107 -14.095 -6.906 -22.711 1.00 61.03 C ATOM 1670 C ILE A 107 -13.753 -6.717 -21.237 1.00 45.34 C ATOM 1671 O ILE A 107 -14.005 -7.595 -20.412 1.00 42.15 O ATOM 1672 CB ILE A 107 -15.619 -7.072 -22.855 1.00 72.44 C ATOM 1673 CG1 ILE A 107 -15.954 -7.801 -24.159 1.00 3.41 C ATOM 1674 CG2 ILE A 107 -16.307 -5.716 -22.809 1.00 22.15 C ATOM 1675 CD1 ILE A 107 -16.536 -9.181 -23.948 1.00 1.33 C ATOM 0 H ILE A 107 -13.594 -8.939 -22.835 1.00 51.20 H new ATOM 0 HA ILE A 107 -13.779 -6.026 -23.271 1.00 61.03 H new ATOM 0 HB ILE A 107 -15.984 -7.671 -22.021 1.00 72.44 H new ATOM 0 HG12 ILE A 107 -16.662 -7.200 -24.730 1.00 3.41 H new ATOM 0 HG13 ILE A 107 -15.049 -7.885 -24.761 1.00 3.41 H new ATOM 0 HG21 ILE A 107 -17.384 -5.851 -22.912 1.00 22.15 H new ATOM 0 HG22 ILE A 107 -16.091 -5.231 -21.857 1.00 22.15 H new ATOM 0 HG23 ILE A 107 -15.939 -5.094 -23.625 1.00 22.15 H new ATOM 0 HD11 ILE A 107 -16.749 -9.638 -24.915 1.00 1.33 H new ATOM 0 HD12 ILE A 107 -15.821 -9.798 -23.405 1.00 1.33 H new ATOM 0 HD13 ILE A 107 -17.458 -9.103 -23.373 1.00 1.33 H new ATOM 1687 N VAL A 108 -13.178 -5.563 -20.913 1.00 24.05 N ATOM 1688 CA VAL A 108 -12.803 -5.256 -19.537 1.00 71.03 C ATOM 1689 C VAL A 108 -13.386 -3.919 -19.095 1.00 3.45 C ATOM 1690 O VAL A 108 -13.741 -3.080 -19.922 1.00 74.43 O ATOM 1691 CB VAL A 108 -11.273 -5.218 -19.367 1.00 63.34 C ATOM 1692 CG1 VAL A 108 -10.742 -6.596 -19.000 1.00 41.33 C ATOM 1693 CG2 VAL A 108 -10.609 -4.703 -20.635 1.00 41.43 C ATOM 0 H VAL A 108 -12.962 -4.826 -21.584 1.00 24.05 H new ATOM 0 HA VAL A 108 -13.210 -6.051 -18.913 1.00 71.03 H new ATOM 0 HB VAL A 108 -11.032 -4.533 -18.554 1.00 63.34 H new ATOM 0 HG11 VAL A 108 -9.659 -6.550 -18.884 1.00 41.33 H new ATOM 0 HG12 VAL A 108 -11.194 -6.922 -18.063 1.00 41.33 H new ATOM 0 HG13 VAL A 108 -10.992 -7.305 -19.790 1.00 41.33 H new ATOM 0 HG21 VAL A 108 -9.528 -4.683 -20.497 1.00 41.43 H new ATOM 0 HG22 VAL A 108 -10.856 -5.361 -21.468 1.00 41.43 H new ATOM 0 HG23 VAL A 108 -10.966 -3.696 -20.850 1.00 41.43 H new ATOM 1703 N ALA A 109 -13.480 -3.726 -17.783 1.00 10.40 N ATOM 1704 CA ALA A 109 -14.017 -2.489 -17.230 1.00 11.25 C ATOM 1705 C ALA A 109 -12.916 -1.651 -16.589 1.00 12.53 C ATOM 1706 O ALA A 109 -12.476 -1.933 -15.474 1.00 10.22 O ATOM 1707 CB ALA A 109 -15.108 -2.795 -16.215 1.00 15.14 C ATOM 0 H ALA A 109 -13.191 -4.410 -17.084 1.00 10.40 H new ATOM 0 HA ALA A 109 -14.448 -1.911 -18.048 1.00 11.25 H new ATOM 0 HB1 ALA A 109 -15.500 -1.862 -15.810 1.00 15.14 H new ATOM 0 HB2 ALA A 109 -15.913 -3.346 -16.701 1.00 15.14 H new ATOM 0 HB3 ALA A 109 -14.694 -3.396 -15.406 1.00 15.14 H new ATOM 1713 N CYS A 110 -12.474 -0.619 -17.300 1.00 53.13 N ATOM 1714 CA CYS A 110 -11.424 0.260 -16.802 1.00 44.31 C ATOM 1715 C CYS A 110 -12.019 1.516 -16.171 1.00 24.44 C ATOM 1716 O CYS A 110 -13.114 1.944 -16.531 1.00 74.44 O ATOM 1717 CB CYS A 110 -10.474 0.648 -17.937 1.00 43.30 C ATOM 1718 SG CYS A 110 -11.252 0.669 -19.584 1.00 12.42 S ATOM 0 H CYS A 110 -12.828 -0.371 -18.224 1.00 53.13 H new ATOM 0 HA CYS A 110 -10.865 -0.280 -16.037 1.00 44.31 H new ATOM 0 HB2 CYS A 110 -10.061 1.635 -17.729 1.00 43.30 H new ATOM 0 HB3 CYS A 110 -9.637 -0.051 -17.951 1.00 43.30 H new ATOM 1723 N GLU A 111 -11.288 2.100 -15.226 1.00 64.05 N ATOM 1724 CA GLU A 111 -11.744 3.306 -14.545 1.00 23.42 C ATOM 1725 C GLU A 111 -10.613 3.933 -13.734 1.00 52.13 C ATOM 1726 O GLU A 111 -9.503 3.405 -13.684 1.00 74.30 O ATOM 1727 CB GLU A 111 -12.926 2.984 -13.628 1.00 24.41 C ATOM 1728 CG GLU A 111 -14.237 3.601 -14.085 1.00 64.33 C ATOM 1729 CD GLU A 111 -15.412 3.176 -13.227 1.00 32.02 C ATOM 1730 OE1 GLU A 111 -15.774 1.981 -13.267 1.00 12.30 O ATOM 1731 OE2 GLU A 111 -15.970 4.037 -12.516 1.00 0.45 O ATOM 0 H GLU A 111 -10.379 1.758 -14.915 1.00 64.05 H new ATOM 0 HA GLU A 111 -12.065 4.021 -15.302 1.00 23.42 H new ATOM 0 HB2 GLU A 111 -13.045 1.902 -13.569 1.00 24.41 H new ATOM 0 HB3 GLU A 111 -12.700 3.336 -12.621 1.00 24.41 H new ATOM 0 HG2 GLU A 111 -14.150 4.687 -14.063 1.00 64.33 H new ATOM 0 HG3 GLU A 111 -14.426 3.317 -15.120 1.00 64.33 H new ATOM 1738 N GLY A 112 -10.905 5.065 -13.101 1.00 44.51 N ATOM 1739 CA GLY A 112 -9.903 5.747 -12.302 1.00 53.31 C ATOM 1740 C GLY A 112 -9.023 6.661 -13.132 1.00 13.14 C ATOM 1741 O GLY A 112 -9.470 7.226 -14.130 1.00 61.20 O ATOM 0 H GLY A 112 -11.817 5.522 -13.127 1.00 44.51 H new ATOM 0 HA2 GLY A 112 -10.398 6.331 -11.526 1.00 53.31 H new ATOM 0 HA3 GLY A 112 -9.280 5.008 -11.798 1.00 53.31 H new ATOM 1745 N SER A 113 -7.769 6.809 -12.717 1.00 60.41 N ATOM 1746 CA SER A 113 -6.825 7.665 -13.426 1.00 14.00 C ATOM 1747 C SER A 113 -5.391 7.199 -13.196 1.00 43.53 C ATOM 1748 O SER A 113 -4.913 7.113 -12.065 1.00 63.20 O ATOM 1749 CB SER A 113 -6.981 9.117 -12.971 1.00 52.40 C ATOM 1750 OG SER A 113 -6.778 10.014 -14.049 1.00 51.23 O ATOM 0 H SER A 113 -7.383 6.347 -11.893 1.00 60.41 H new ATOM 0 HA SER A 113 -7.043 7.600 -14.492 1.00 14.00 H new ATOM 0 HB2 SER A 113 -7.977 9.265 -12.553 1.00 52.40 H new ATOM 0 HB3 SER A 113 -6.266 9.331 -12.176 1.00 52.40 H new ATOM 0 HG SER A 113 -6.885 10.935 -13.733 1.00 51.23 H new ATOM 1756 N PRO A 114 -4.686 6.892 -14.295 1.00 52.05 N ATOM 1757 CA PRO A 114 -5.245 6.991 -15.647 1.00 60.31 C ATOM 1758 C PRO A 114 -6.309 5.931 -15.913 1.00 43.04 C ATOM 1759 O PRO A 114 -6.633 5.129 -15.037 1.00 65.34 O ATOM 1760 CB PRO A 114 -4.030 6.767 -16.551 1.00 3.25 C ATOM 1761 CG PRO A 114 -3.083 5.969 -15.722 1.00 12.23 C ATOM 1762 CD PRO A 114 -3.290 6.424 -14.303 1.00 71.14 C ATOM 0 HA PRO A 114 -5.746 7.945 -15.812 1.00 60.31 H new ATOM 0 HB2 PRO A 114 -4.306 6.234 -17.461 1.00 3.25 H new ATOM 0 HB3 PRO A 114 -3.586 7.714 -16.859 1.00 3.25 H new ATOM 0 HG2 PRO A 114 -3.280 4.902 -15.822 1.00 12.23 H new ATOM 0 HG3 PRO A 114 -2.053 6.134 -16.038 1.00 12.23 H new ATOM 0 HD2 PRO A 114 -3.135 5.611 -13.594 1.00 71.14 H new ATOM 0 HD3 PRO A 114 -2.598 7.221 -14.031 1.00 71.14 H new ATOM 1770 N TYR A 115 -6.848 5.933 -17.127 1.00 54.41 N ATOM 1771 CA TYR A 115 -7.877 4.973 -17.508 1.00 14.11 C ATOM 1772 C TYR A 115 -7.272 3.594 -17.752 1.00 51.23 C ATOM 1773 O TYR A 115 -6.678 3.341 -18.800 1.00 70.24 O ATOM 1774 CB TYR A 115 -8.611 5.450 -18.763 1.00 4.23 C ATOM 1775 CG TYR A 115 -10.103 5.601 -18.571 1.00 42.34 C ATOM 1776 CD1 TYR A 115 -10.627 6.032 -17.359 1.00 13.31 C ATOM 1777 CD2 TYR A 115 -10.988 5.312 -19.602 1.00 53.53 C ATOM 1778 CE1 TYR A 115 -11.990 6.171 -17.179 1.00 40.31 C ATOM 1779 CE2 TYR A 115 -12.352 5.450 -19.432 1.00 12.00 C ATOM 1780 CZ TYR A 115 -12.848 5.879 -18.219 1.00 12.43 C ATOM 1781 OH TYR A 115 -14.206 6.016 -18.045 1.00 13.34 O ATOM 0 H TYR A 115 -6.589 6.589 -17.864 1.00 54.41 H new ATOM 0 HA TYR A 115 -8.589 4.897 -16.686 1.00 14.11 H new ATOM 0 HB2 TYR A 115 -8.195 6.408 -19.075 1.00 4.23 H new ATOM 0 HB3 TYR A 115 -8.427 4.743 -19.572 1.00 4.23 H new ATOM 0 HD1 TYR A 115 -9.958 6.262 -16.543 1.00 13.31 H new ATOM 0 HD2 TYR A 115 -10.603 4.974 -20.553 1.00 53.53 H new ATOM 0 HE1 TYR A 115 -12.381 6.506 -16.230 1.00 40.31 H new ATOM 0 HE2 TYR A 115 -13.026 5.223 -20.245 1.00 12.00 H new ATOM 0 HH TYR A 115 -14.678 5.501 -18.732 1.00 13.34 H new ATOM 1791 N VAL A 116 -7.428 2.705 -16.776 1.00 50.24 N ATOM 1792 CA VAL A 116 -6.899 1.351 -16.884 1.00 71.23 C ATOM 1793 C VAL A 116 -7.940 0.319 -16.465 1.00 55.22 C ATOM 1794 O VAL A 116 -8.843 0.597 -15.675 1.00 50.13 O ATOM 1795 CB VAL A 116 -5.637 1.171 -16.020 1.00 31.51 C ATOM 1796 CG1 VAL A 116 -4.620 2.259 -16.327 1.00 23.14 C ATOM 1797 CG2 VAL A 116 -6.000 1.169 -14.542 1.00 44.15 C ATOM 0 H VAL A 116 -7.916 2.898 -15.902 1.00 50.24 H new ATOM 0 HA VAL A 116 -6.639 1.196 -17.931 1.00 71.23 H new ATOM 0 HB VAL A 116 -5.186 0.208 -16.261 1.00 31.51 H new ATOM 0 HG11 VAL A 116 -3.735 2.115 -15.707 1.00 23.14 H new ATOM 0 HG12 VAL A 116 -4.338 2.208 -17.379 1.00 23.14 H new ATOM 0 HG13 VAL A 116 -5.057 3.235 -16.116 1.00 23.14 H new ATOM 0 HG21 VAL A 116 -5.097 1.041 -13.946 1.00 44.15 H new ATOM 0 HG22 VAL A 116 -6.475 2.115 -14.283 1.00 44.15 H new ATOM 0 HG23 VAL A 116 -6.689 0.349 -14.338 1.00 44.15 H new ATOM 1807 N PRO A 117 -7.814 -0.902 -17.005 1.00 73.05 N ATOM 1808 CA PRO A 117 -8.735 -2.001 -16.701 1.00 72.23 C ATOM 1809 C PRO A 117 -8.579 -2.510 -15.272 1.00 63.04 C ATOM 1810 O PRO A 117 -7.536 -3.054 -14.907 1.00 13.41 O ATOM 1811 CB PRO A 117 -8.334 -3.087 -17.703 1.00 32.44 C ATOM 1812 CG PRO A 117 -6.908 -2.799 -18.023 1.00 53.04 C ATOM 1813 CD PRO A 117 -6.762 -1.304 -17.954 1.00 55.15 C ATOM 0 HA PRO A 117 -9.778 -1.693 -16.780 1.00 72.23 H new ATOM 0 HB2 PRO A 117 -8.450 -4.083 -17.275 1.00 32.44 H new ATOM 0 HB3 PRO A 117 -8.956 -3.050 -18.597 1.00 32.44 H new ATOM 0 HG2 PRO A 117 -6.242 -3.289 -17.313 1.00 53.04 H new ATOM 0 HG3 PRO A 117 -6.647 -3.171 -19.014 1.00 53.04 H new ATOM 0 HD2 PRO A 117 -5.772 -1.013 -17.603 1.00 55.15 H new ATOM 0 HD3 PRO A 117 -6.903 -0.841 -18.931 1.00 55.15 H new ATOM 1821 N VAL A 118 -9.621 -2.331 -14.468 1.00 14.44 N ATOM 1822 CA VAL A 118 -9.600 -2.773 -13.079 1.00 30.25 C ATOM 1823 C VAL A 118 -10.523 -3.968 -12.868 1.00 63.43 C ATOM 1824 O VAL A 118 -10.813 -4.351 -11.734 1.00 43.22 O ATOM 1825 CB VAL A 118 -10.019 -1.641 -12.122 1.00 41.22 C ATOM 1826 CG1 VAL A 118 -8.957 -0.552 -12.086 1.00 54.13 C ATOM 1827 CG2 VAL A 118 -11.367 -1.069 -12.533 1.00 14.14 C ATOM 0 H VAL A 118 -10.491 -1.883 -14.755 1.00 14.44 H new ATOM 0 HA VAL A 118 -8.574 -3.066 -12.857 1.00 30.25 H new ATOM 0 HB VAL A 118 -10.116 -2.054 -11.118 1.00 41.22 H new ATOM 0 HG11 VAL A 118 -9.270 0.239 -11.405 1.00 54.13 H new ATOM 0 HG12 VAL A 118 -8.013 -0.975 -11.741 1.00 54.13 H new ATOM 0 HG13 VAL A 118 -8.825 -0.139 -13.086 1.00 54.13 H new ATOM 0 HG21 VAL A 118 -11.648 -0.270 -11.846 1.00 14.14 H new ATOM 0 HG22 VAL A 118 -11.300 -0.670 -13.545 1.00 14.14 H new ATOM 0 HG23 VAL A 118 -12.121 -1.856 -12.502 1.00 14.14 H new ATOM 1837 N HIS A 119 -10.981 -4.556 -13.969 1.00 54.20 N ATOM 1838 CA HIS A 119 -11.871 -5.710 -13.906 1.00 14.33 C ATOM 1839 C HIS A 119 -12.012 -6.363 -15.277 1.00 73.12 C ATOM 1840 O HIS A 119 -11.881 -5.702 -16.308 1.00 2.05 O ATOM 1841 CB HIS A 119 -13.246 -5.292 -13.383 1.00 52.01 C ATOM 1842 CG HIS A 119 -14.382 -6.010 -14.045 1.00 40.41 C ATOM 1843 ND1 HIS A 119 -15.354 -6.690 -13.342 1.00 62.25 N ATOM 1844 CD2 HIS A 119 -14.699 -6.149 -15.354 1.00 2.24 C ATOM 1845 CE1 HIS A 119 -16.218 -7.219 -14.190 1.00 53.52 C ATOM 1846 NE2 HIS A 119 -15.844 -6.904 -15.417 1.00 62.32 N ATOM 0 H HIS A 119 -10.751 -4.252 -14.915 1.00 54.20 H new ATOM 0 HA HIS A 119 -11.435 -6.437 -13.220 1.00 14.33 H new ATOM 0 HB2 HIS A 119 -13.288 -5.474 -12.309 1.00 52.01 H new ATOM 0 HB3 HIS A 119 -13.371 -4.219 -13.529 1.00 52.01 H new ATOM 0 HD2 HIS A 119 -14.153 -5.742 -16.192 1.00 2.24 H new ATOM 0 HE1 HIS A 119 -17.083 -7.809 -13.925 1.00 53.52 H new ATOM 0 HE2 HIS A 119 -16.327 -7.177 -16.273 1.00 62.32 H new ATOM 1854 N PHE A 120 -12.280 -7.665 -15.282 1.00 42.25 N ATOM 1855 CA PHE A 120 -12.437 -8.408 -16.527 1.00 43.13 C ATOM 1856 C PHE A 120 -13.879 -8.872 -16.705 1.00 72.44 C ATOM 1857 O PHE A 120 -14.506 -9.362 -15.765 1.00 44.13 O ATOM 1858 CB PHE A 120 -11.495 -9.613 -16.549 1.00 24.45 C ATOM 1859 CG PHE A 120 -10.974 -9.943 -17.918 1.00 64.02 C ATOM 1860 CD1 PHE A 120 -11.802 -10.516 -18.869 1.00 70.35 C ATOM 1861 CD2 PHE A 120 -9.656 -9.679 -18.255 1.00 23.14 C ATOM 1862 CE1 PHE A 120 -11.325 -10.821 -20.130 1.00 62.32 C ATOM 1863 CE2 PHE A 120 -9.173 -9.981 -19.514 1.00 61.50 C ATOM 1864 CZ PHE A 120 -10.009 -10.552 -20.453 1.00 71.43 C ATOM 0 H PHE A 120 -12.393 -8.227 -14.438 1.00 42.25 H new ATOM 0 HA PHE A 120 -12.183 -7.743 -17.352 1.00 43.13 H new ATOM 0 HB2 PHE A 120 -10.652 -9.417 -15.886 1.00 24.45 H new ATOM 0 HB3 PHE A 120 -12.020 -10.481 -16.150 1.00 24.45 H new ATOM 0 HD1 PHE A 120 -12.832 -10.727 -18.622 1.00 70.35 H new ATOM 0 HD2 PHE A 120 -8.998 -9.232 -17.525 1.00 23.14 H new ATOM 0 HE1 PHE A 120 -11.980 -11.269 -20.862 1.00 62.32 H new ATOM 0 HE2 PHE A 120 -8.143 -9.771 -19.763 1.00 61.50 H new ATOM 0 HZ PHE A 120 -9.635 -10.788 -21.438 1.00 71.43 H new ATOM 1874 N ASP A 121 -14.400 -8.714 -17.917 1.00 63.53 N ATOM 1875 CA ASP A 121 -15.768 -9.117 -18.220 1.00 71.42 C ATOM 1876 C ASP A 121 -15.796 -10.490 -18.885 1.00 21.45 C ATOM 1877 O ASP A 121 -16.167 -11.485 -18.262 1.00 1.23 O ATOM 1878 CB ASP A 121 -16.438 -8.084 -19.128 1.00 24.32 C ATOM 1879 CG ASP A 121 -17.788 -7.639 -18.601 1.00 62.40 C ATOM 1880 OD1 ASP A 121 -18.771 -8.387 -18.784 1.00 52.42 O ATOM 1881 OD2 ASP A 121 -17.861 -6.543 -18.006 1.00 72.43 O ATOM 0 H ASP A 121 -13.895 -8.310 -18.706 1.00 63.53 H new ATOM 0 HA ASP A 121 -16.319 -9.176 -17.281 1.00 71.42 H new ATOM 0 HB2 ASP A 121 -15.786 -7.216 -19.229 1.00 24.32 H new ATOM 0 HB3 ASP A 121 -16.562 -8.507 -20.125 1.00 24.32 H new ATOM 1886 N ALA A 122 -15.402 -10.536 -20.153 1.00 22.51 N ATOM 1887 CA ALA A 122 -15.381 -11.787 -20.901 1.00 64.13 C ATOM 1888 C ALA A 122 -14.693 -11.608 -22.251 1.00 13.23 C ATOM 1889 O ALA A 122 -14.581 -10.492 -22.758 1.00 15.34 O ATOM 1890 CB ALA A 122 -16.796 -12.311 -21.093 1.00 61.52 C ATOM 0 H ALA A 122 -15.093 -9.722 -20.684 1.00 22.51 H new ATOM 0 HA ALA A 122 -14.810 -12.516 -20.326 1.00 64.13 H new ATOM 0 HB1 ALA A 122 -16.765 -13.246 -21.653 1.00 61.52 H new ATOM 0 HB2 ALA A 122 -17.254 -12.486 -20.120 1.00 61.52 H new ATOM 0 HB3 ALA A 122 -17.384 -11.577 -21.644 1.00 61.52 H new ATOM 1896 N SER A 123 -14.234 -12.714 -22.827 1.00 41.23 N ATOM 1897 CA SER A 123 -13.553 -12.678 -24.116 1.00 52.33 C ATOM 1898 C SER A 123 -14.560 -12.645 -25.262 1.00 35.52 C ATOM 1899 O SER A 123 -15.678 -13.145 -25.135 1.00 74.32 O ATOM 1900 CB SER A 123 -12.633 -13.891 -24.265 1.00 51.12 C ATOM 1901 OG SER A 123 -11.709 -13.965 -23.193 1.00 50.24 O ATOM 0 H SER A 123 -14.321 -13.646 -22.422 1.00 41.23 H new ATOM 0 HA SER A 123 -12.953 -11.769 -24.157 1.00 52.33 H new ATOM 0 HB2 SER A 123 -13.230 -14.802 -24.298 1.00 51.12 H new ATOM 0 HB3 SER A 123 -12.094 -13.829 -25.210 1.00 51.12 H new ATOM 0 HG SER A 123 -11.209 -14.806 -23.249 1.00 50.24 H new ATOM 1907 N VAL A 124 -14.156 -12.053 -26.381 1.00 23.31 N ATOM 1908 CA VAL A 124 -15.021 -11.956 -27.550 1.00 40.34 C ATOM 1909 C VAL A 124 -14.629 -12.978 -28.611 1.00 62.10 C ATOM 1910 O VAL A 124 -13.563 -13.589 -28.534 1.00 13.30 O ATOM 1911 CB VAL A 124 -14.972 -10.546 -28.169 1.00 3.01 C ATOM 1912 CG1 VAL A 124 -16.235 -10.270 -28.971 1.00 25.12 C ATOM 1913 CG2 VAL A 124 -14.778 -9.496 -27.086 1.00 11.34 C ATOM 0 H VAL A 124 -13.234 -11.633 -26.503 1.00 23.31 H new ATOM 0 HA VAL A 124 -16.036 -12.161 -27.210 1.00 40.34 H new ATOM 0 HB VAL A 124 -14.121 -10.496 -28.849 1.00 3.01 H new ATOM 0 HG11 VAL A 124 -16.182 -9.270 -29.400 1.00 25.12 H new ATOM 0 HG12 VAL A 124 -16.325 -11.004 -29.772 1.00 25.12 H new ATOM 0 HG13 VAL A 124 -17.104 -10.338 -28.316 1.00 25.12 H new ATOM 0 HG21 VAL A 124 -14.746 -8.506 -27.541 1.00 11.34 H new ATOM 0 HG22 VAL A 124 -15.607 -9.544 -26.380 1.00 11.34 H new ATOM 0 HG23 VAL A 124 -13.842 -9.684 -26.560 1.00 11.34 H new ATOM 1923 N GLU A 125 -15.498 -13.159 -29.601 1.00 5.21 N ATOM 1924 CA GLU A 125 -15.241 -14.108 -30.678 1.00 32.24 C ATOM 1925 C GLU A 125 -14.682 -13.398 -31.907 1.00 61.32 C ATOM 1926 O GLU A 125 -13.696 -13.841 -32.498 1.00 13.52 O ATOM 1927 CB GLU A 125 -16.525 -14.854 -31.046 1.00 32.51 C ATOM 1928 CG GLU A 125 -16.554 -16.293 -30.558 1.00 33.20 C ATOM 1929 CD GLU A 125 -17.070 -17.256 -31.610 1.00 50.30 C ATOM 1930 OE1 GLU A 125 -17.595 -16.782 -32.640 1.00 35.55 O ATOM 1931 OE2 GLU A 125 -16.949 -18.481 -31.404 1.00 63.32 O ATOM 0 H GLU A 125 -16.385 -12.662 -29.679 1.00 5.21 H new ATOM 0 HA GLU A 125 -14.500 -14.826 -30.327 1.00 32.24 H new ATOM 0 HB2 GLU A 125 -17.378 -14.320 -30.627 1.00 32.51 H new ATOM 0 HB3 GLU A 125 -16.643 -14.844 -32.130 1.00 32.51 H new ATOM 0 HG2 GLU A 125 -15.549 -16.592 -30.259 1.00 33.20 H new ATOM 0 HG3 GLU A 125 -17.183 -16.359 -29.670 1.00 33.20 H new