USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 587 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 46 HIS : no HD1:sc= -3.04! K(o=-3!,f=-1.3) USER MOD Set 1.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -1.58 K(o=-1.6,f=-6.8!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 153:sc= -0.176 (180deg=-0.924) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0419) USER MOD Single : A 29 ASN : amide:sc= -0.0681 K(o=-0.068,f=-1.5) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 92:sc= -0.745 USER MOD Single : A 38 GLN : amide:sc= -0.105 X(o=-0.11,f=-0.012) USER MOD Single : A 39 HIS : no HD1:sc= -0.065 X(o=-0.065,f=-0.0052) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.225) USER MOD Single : A 53 GLN : amide:sc= -0.515 K(o=-0.51,f=-2.4!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.106) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 143:sc= 0.0133 (180deg=0) USER MOD Single : A 65 CYS SG : rot 150:sc= -6.52! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 60:sc= -0.515 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -150:sc= -0.449 (180deg=-0.853) USER MOD Single : A 78 TYR OH : rot 136:sc= 0.619! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -1.86 K(o=-1.9,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -4.072 13.263 3.705 1.00 74.20 N ATOM 2 CA ASN A 10 -3.057 12.335 3.221 1.00 31.00 C ATOM 3 C ASN A 10 -3.273 10.941 3.801 1.00 51.40 C ATOM 4 O ASN A 10 -2.982 9.936 3.152 1.00 64.30 O ATOM 5 CB ASN A 10 -1.659 12.840 3.584 1.00 42.30 C ATOM 6 CG ASN A 10 -1.531 13.180 5.055 1.00 50.40 C ATOM 7 OD1 ASN A 10 -1.853 12.368 5.923 1.00 32.20 O ATOM 8 ND2 ASN A 10 -1.059 14.387 5.344 1.00 44.20 N ATOM 0 HA ASN A 10 -3.144 12.275 2.136 1.00 31.00 H new ATOM 0 HB2 ASN A 10 -0.922 12.080 3.324 1.00 42.30 H new ATOM 0 HB3 ASN A 10 -1.429 13.723 2.988 1.00 42.30 H new ATOM 0 HD21 ASN A 10 -0.951 14.673 6.317 1.00 44.20 H new ATOM 0 HD22 ASN A 10 -0.804 15.028 4.593 1.00 44.20 H new ATOM 15 N LEU A 11 -3.786 10.888 5.025 1.00 1.54 N ATOM 16 CA LEU A 11 -4.042 9.617 5.693 1.00 51.30 C ATOM 17 C LEU A 11 -5.311 8.966 5.154 1.00 53.20 C ATOM 18 O LEU A 11 -5.365 7.751 4.963 1.00 54.40 O ATOM 19 CB LEU A 11 -4.163 9.826 7.204 1.00 72.10 C ATOM 20 CG LEU A 11 -4.275 8.542 8.028 1.00 71.50 C ATOM 21 CD1 LEU A 11 -2.893 8.022 8.395 1.00 13.50 C ATOM 22 CD2 LEU A 11 -5.106 8.784 9.279 1.00 13.50 C ATOM 0 H LEU A 11 -4.033 11.711 5.575 1.00 1.54 H new ATOM 0 HA LEU A 11 -3.201 8.953 5.492 1.00 51.30 H new ATOM 0 HB2 LEU A 11 -3.294 10.386 7.549 1.00 72.10 H new ATOM 0 HB3 LEU A 11 -5.039 10.444 7.401 1.00 72.10 H new ATOM 0 HG LEU A 11 -4.776 7.786 7.424 1.00 71.50 H new ATOM 0 HD11 LEU A 11 -2.992 7.108 8.981 1.00 13.50 H new ATOM 0 HD12 LEU A 11 -2.330 7.811 7.486 1.00 13.50 H new ATOM 0 HD13 LEU A 11 -2.365 8.774 8.982 1.00 13.50 H new ATOM 0 HD21 LEU A 11 -5.176 7.860 9.854 1.00 13.50 H new ATOM 0 HD22 LEU A 11 -4.632 9.555 9.887 1.00 13.50 H new ATOM 0 HD23 LEU A 11 -6.106 9.110 8.994 1.00 13.50 H new ATOM 34 N GLN A 12 -6.332 9.782 4.911 1.00 70.40 N ATOM 35 CA GLN A 12 -7.601 9.285 4.394 1.00 11.50 C ATOM 36 C GLN A 12 -7.410 8.603 3.043 1.00 73.20 C ATOM 37 O GLN A 12 -8.129 7.664 2.703 1.00 52.10 O ATOM 38 CB GLN A 12 -8.605 10.432 4.261 1.00 43.50 C ATOM 39 CG GLN A 12 -9.439 10.658 5.511 1.00 5.22 C ATOM 40 CD GLN A 12 -10.840 10.097 5.385 1.00 41.00 C ATOM 41 OE1 GLN A 12 -11.650 10.588 4.598 1.00 15.30 O ATOM 42 NE2 GLN A 12 -11.130 9.062 6.164 1.00 3.44 N ATOM 0 H GLN A 12 -6.305 10.790 5.064 1.00 70.40 H new ATOM 0 HA GLN A 12 -7.989 8.550 5.100 1.00 11.50 H new ATOM 0 HB2 GLN A 12 -8.067 11.349 4.023 1.00 43.50 H new ATOM 0 HB3 GLN A 12 -9.270 10.226 3.423 1.00 43.50 H new ATOM 0 HG2 GLN A 12 -8.942 10.196 6.364 1.00 5.22 H new ATOM 0 HG3 GLN A 12 -9.497 11.727 5.717 1.00 5.22 H new ATOM 0 HE21 GLN A 12 -10.425 8.690 6.801 1.00 3.44 H new ATOM 0 HE22 GLN A 12 -12.057 8.639 6.126 1.00 3.44 H new ATOM 51 N LYS A 13 -6.435 9.082 2.277 1.00 53.20 N ATOM 52 CA LYS A 13 -6.149 8.518 0.963 1.00 71.20 C ATOM 53 C LYS A 13 -5.339 7.231 1.088 1.00 1.41 C ATOM 54 O LYS A 13 -5.547 6.279 0.336 1.00 22.20 O ATOM 55 CB LYS A 13 -5.389 9.531 0.105 1.00 14.40 C ATOM 56 CG LYS A 13 -5.079 9.031 -1.297 1.00 63.20 C ATOM 57 CD LYS A 13 -6.250 9.255 -2.240 1.00 61.50 C ATOM 58 CE LYS A 13 -5.779 9.662 -3.626 1.00 23.30 C ATOM 59 NZ LYS A 13 -6.892 10.200 -4.456 1.00 25.00 N ATOM 0 H LYS A 13 -5.830 9.859 2.544 1.00 53.20 H new ATOM 0 HA LYS A 13 -7.098 8.283 0.481 1.00 71.20 H new ATOM 0 HB2 LYS A 13 -5.976 10.447 0.034 1.00 14.40 H new ATOM 0 HB3 LYS A 13 -4.455 9.789 0.604 1.00 14.40 H new ATOM 0 HG2 LYS A 13 -4.198 9.545 -1.681 1.00 63.20 H new ATOM 0 HG3 LYS A 13 -4.838 7.969 -1.261 1.00 63.20 H new ATOM 0 HD2 LYS A 13 -6.842 8.343 -2.309 1.00 61.50 H new ATOM 0 HD3 LYS A 13 -6.902 10.028 -1.835 1.00 61.50 H new ATOM 0 HE2 LYS A 13 -4.996 10.415 -3.537 1.00 23.30 H new ATOM 0 HE3 LYS A 13 -5.337 8.801 -4.126 1.00 23.30 H new ATOM 0 HZ1 LYS A 13 -6.529 10.466 -5.394 1.00 25.00 H new ATOM 0 HZ2 LYS A 13 -7.628 9.473 -4.563 1.00 25.00 H new ATOM 0 HZ3 LYS A 13 -7.298 11.037 -3.992 1.00 25.00 H new ATOM 73 N ALA A 14 -4.414 7.210 2.042 1.00 53.30 N ATOM 74 CA ALA A 14 -3.573 6.041 2.265 1.00 64.00 C ATOM 75 C ALA A 14 -4.404 4.842 2.708 1.00 31.00 C ATOM 76 O ALA A 14 -4.166 3.715 2.274 1.00 73.50 O ATOM 77 CB ALA A 14 -2.500 6.353 3.298 1.00 43.10 C ATOM 0 H ALA A 14 -4.228 7.990 2.673 1.00 53.30 H new ATOM 0 HA ALA A 14 -3.091 5.786 1.321 1.00 64.00 H new ATOM 0 HB1 ALA A 14 -1.879 5.471 3.455 1.00 43.10 H new ATOM 0 HB2 ALA A 14 -1.880 7.175 2.941 1.00 43.10 H new ATOM 0 HB3 ALA A 14 -2.972 6.637 4.239 1.00 43.10 H new ATOM 83 N ILE A 15 -5.380 5.093 3.575 1.00 24.40 N ATOM 84 CA ILE A 15 -6.247 4.034 4.076 1.00 51.40 C ATOM 85 C ILE A 15 -7.275 3.623 3.028 1.00 41.00 C ATOM 86 O ILE A 15 -7.644 2.452 2.931 1.00 32.50 O ATOM 87 CB ILE A 15 -6.983 4.469 5.358 1.00 2.32 C ATOM 88 CG1 ILE A 15 -5.994 5.058 6.365 1.00 31.30 C ATOM 89 CG2 ILE A 15 -7.729 3.291 5.967 1.00 4.52 C ATOM 90 CD1 ILE A 15 -6.654 5.893 7.442 1.00 31.30 C ATOM 0 H ILE A 15 -5.590 6.020 3.945 1.00 24.40 H new ATOM 0 HA ILE A 15 -5.606 3.183 4.305 1.00 51.40 H new ATOM 0 HB ILE A 15 -7.710 5.239 5.098 1.00 2.32 H new ATOM 0 HG12 ILE A 15 -5.439 4.246 6.835 1.00 31.30 H new ATOM 0 HG13 ILE A 15 -5.269 5.673 5.833 1.00 31.30 H new ATOM 0 HG21 ILE A 15 -8.244 3.615 6.872 1.00 4.52 H new ATOM 0 HG22 ILE A 15 -8.458 2.912 5.251 1.00 4.52 H new ATOM 0 HG23 ILE A 15 -7.020 2.501 6.216 1.00 4.52 H new ATOM 0 HD11 ILE A 15 -5.893 6.279 8.121 1.00 31.30 H new ATOM 0 HD12 ILE A 15 -7.186 6.726 6.982 1.00 31.30 H new ATOM 0 HD13 ILE A 15 -7.359 5.276 8.000 1.00 31.30 H new ATOM 102 N ASP A 16 -7.735 4.593 2.245 1.00 1.24 N ATOM 103 CA ASP A 16 -8.721 4.331 1.203 1.00 31.10 C ATOM 104 C ASP A 16 -8.185 3.329 0.186 1.00 71.30 C ATOM 105 O ASP A 16 -8.859 2.357 -0.157 1.00 60.50 O ATOM 106 CB ASP A 16 -9.107 5.633 0.498 1.00 41.20 C ATOM 107 CG ASP A 16 -10.360 5.491 -0.330 1.00 40.40 C ATOM 108 OD1 ASP A 16 -11.310 4.825 0.141 1.00 63.40 O ATOM 109 OD2 ASP A 16 -10.410 6.045 -1.448 1.00 4.11 O ATOM 0 H ASP A 16 -7.441 5.567 2.312 1.00 1.24 H new ATOM 0 HA ASP A 16 -9.606 3.905 1.675 1.00 31.10 H new ATOM 0 HB2 ASP A 16 -9.254 6.416 1.242 1.00 41.20 H new ATOM 0 HB3 ASP A 16 -8.286 5.953 -0.143 1.00 41.20 H new ATOM 114 N LEU A 17 -6.970 3.572 -0.293 1.00 44.20 N ATOM 115 CA LEU A 17 -6.343 2.691 -1.272 1.00 11.40 C ATOM 116 C LEU A 17 -6.022 1.334 -0.654 1.00 73.10 C ATOM 117 O LEU A 17 -6.152 0.298 -1.306 1.00 15.10 O ATOM 118 CB LEU A 17 -5.066 3.330 -1.820 1.00 61.50 C ATOM 119 CG LEU A 17 -5.280 4.606 -2.636 1.00 74.20 C ATOM 120 CD1 LEU A 17 -4.123 5.571 -2.432 1.00 4.21 C ATOM 121 CD2 LEU A 17 -5.444 4.273 -4.111 1.00 1.34 C ATOM 0 H LEU A 17 -6.399 4.372 -0.019 1.00 44.20 H new ATOM 0 HA LEU A 17 -7.046 2.540 -2.092 1.00 11.40 H new ATOM 0 HB2 LEU A 17 -4.404 3.558 -0.984 1.00 61.50 H new ATOM 0 HB3 LEU A 17 -4.551 2.600 -2.444 1.00 61.50 H new ATOM 0 HG LEU A 17 -6.194 5.088 -2.288 1.00 74.20 H new ATOM 0 HD11 LEU A 17 -4.293 6.473 -3.020 1.00 4.21 H new ATOM 0 HD12 LEU A 17 -4.051 5.835 -1.377 1.00 4.21 H new ATOM 0 HD13 LEU A 17 -3.194 5.099 -2.752 1.00 4.21 H new ATOM 0 HD21 LEU A 17 -5.595 5.192 -4.677 1.00 1.34 H new ATOM 0 HD22 LEU A 17 -4.548 3.768 -4.472 1.00 1.34 H new ATOM 0 HD23 LEU A 17 -6.306 3.620 -4.243 1.00 1.34 H new ATOM 133 N ALA A 18 -5.602 1.348 0.606 1.00 25.30 N ATOM 134 CA ALA A 18 -5.262 0.118 1.312 1.00 21.10 C ATOM 135 C ALA A 18 -6.460 -0.821 1.385 1.00 2.13 C ATOM 136 O ALA A 18 -6.308 -2.042 1.345 1.00 43.50 O ATOM 137 CB ALA A 18 -4.751 0.436 2.709 1.00 74.00 C ATOM 0 H ALA A 18 -5.489 2.197 1.160 1.00 25.30 H new ATOM 0 HA ALA A 18 -4.472 -0.386 0.755 1.00 21.10 H new ATOM 0 HB1 ALA A 18 -4.501 -0.491 3.225 1.00 74.00 H new ATOM 0 HB2 ALA A 18 -3.862 1.063 2.637 1.00 74.00 H new ATOM 0 HB3 ALA A 18 -5.523 0.965 3.267 1.00 74.00 H new ATOM 143 N SER A 19 -7.652 -0.244 1.494 1.00 41.40 N ATOM 144 CA SER A 19 -8.878 -1.030 1.573 1.00 44.40 C ATOM 145 C SER A 19 -9.313 -1.501 0.188 1.00 4.22 C ATOM 146 O SER A 19 -9.744 -2.641 0.017 1.00 43.40 O ATOM 147 CB SER A 19 -9.995 -0.209 2.219 1.00 1.15 C ATOM 148 OG SER A 19 -10.030 -0.411 3.621 1.00 62.20 O ATOM 0 H SER A 19 -7.795 0.765 1.530 1.00 41.40 H new ATOM 0 HA SER A 19 -8.678 -1.907 2.189 1.00 44.40 H new ATOM 0 HB2 SER A 19 -9.844 0.849 2.004 1.00 1.15 H new ATOM 0 HB3 SER A 19 -10.955 -0.489 1.784 1.00 1.15 H new ATOM 0 HG SER A 19 -10.751 0.126 4.011 1.00 62.20 H new ATOM 154 N LYS A 20 -9.196 -0.615 -0.796 1.00 5.34 N ATOM 155 CA LYS A 20 -9.577 -0.940 -2.165 1.00 33.30 C ATOM 156 C LYS A 20 -8.606 -1.946 -2.776 1.00 14.40 C ATOM 157 O LYS A 20 -9.020 -2.923 -3.400 1.00 24.10 O ATOM 158 CB LYS A 20 -9.619 0.328 -3.020 1.00 23.50 C ATOM 159 CG LYS A 20 -10.790 1.236 -2.702 1.00 52.40 C ATOM 160 CD LYS A 20 -10.720 2.538 -3.484 1.00 52.10 C ATOM 161 CE LYS A 20 -11.590 2.491 -4.727 1.00 21.10 C ATOM 162 NZ LYS A 20 -13.020 2.252 -4.393 1.00 43.20 N ATOM 0 H LYS A 20 -8.841 0.333 -0.671 1.00 5.34 H new ATOM 0 HA LYS A 20 -10.570 -1.388 -2.142 1.00 33.30 H new ATOM 0 HB2 LYS A 20 -8.691 0.882 -2.878 1.00 23.50 H new ATOM 0 HB3 LYS A 20 -9.664 0.046 -4.072 1.00 23.50 H new ATOM 0 HG2 LYS A 20 -11.723 0.722 -2.934 1.00 52.40 H new ATOM 0 HG3 LYS A 20 -10.803 1.453 -1.634 1.00 52.40 H new ATOM 0 HD2 LYS A 20 -11.039 3.363 -2.847 1.00 52.10 H new ATOM 0 HD3 LYS A 20 -9.687 2.736 -3.770 1.00 52.10 H new ATOM 0 HE2 LYS A 20 -11.496 3.430 -5.272 1.00 21.10 H new ATOM 0 HE3 LYS A 20 -11.235 1.702 -5.389 1.00 21.10 H new ATOM 0 HZ1 LYS A 20 -13.623 2.662 -5.134 1.00 43.20 H new ATOM 0 HZ2 LYS A 20 -13.196 1.229 -4.331 1.00 43.20 H new ATOM 0 HZ3 LYS A 20 -13.242 2.698 -3.480 1.00 43.20 H new ATOM 176 N ALA A 21 -7.313 -1.700 -2.591 1.00 51.20 N ATOM 177 CA ALA A 21 -6.284 -2.584 -3.123 1.00 23.10 C ATOM 178 C ALA A 21 -6.423 -3.993 -2.556 1.00 40.50 C ATOM 179 O ALA A 21 -6.395 -4.976 -3.296 1.00 41.40 O ATOM 180 CB ALA A 21 -4.902 -2.026 -2.820 1.00 63.10 C ATOM 0 H ALA A 21 -6.954 -0.896 -2.077 1.00 51.20 H new ATOM 0 HA ALA A 21 -6.413 -2.641 -4.204 1.00 23.10 H new ATOM 0 HB1 ALA A 21 -4.143 -2.696 -3.223 1.00 63.10 H new ATOM 0 HB2 ALA A 21 -4.798 -1.043 -3.278 1.00 63.10 H new ATOM 0 HB3 ALA A 21 -4.773 -1.939 -1.741 1.00 63.10 H new ATOM 186 N ALA A 22 -6.575 -4.082 -1.238 1.00 13.10 N ATOM 187 CA ALA A 22 -6.719 -5.371 -0.572 1.00 15.50 C ATOM 188 C ALA A 22 -7.946 -6.118 -1.082 1.00 23.40 C ATOM 189 O ALA A 22 -7.944 -7.346 -1.176 1.00 22.20 O ATOM 190 CB ALA A 22 -6.805 -5.178 0.935 1.00 30.20 C ATOM 0 H ALA A 22 -6.602 -3.278 -0.611 1.00 13.10 H new ATOM 0 HA ALA A 22 -5.839 -5.972 -0.802 1.00 15.50 H new ATOM 0 HB1 ALA A 22 -6.912 -6.148 1.421 1.00 30.20 H new ATOM 0 HB2 ALA A 22 -5.897 -4.692 1.292 1.00 30.20 H new ATOM 0 HB3 ALA A 22 -7.667 -4.556 1.173 1.00 30.20 H new ATOM 196 N GLN A 23 -8.994 -5.370 -1.410 1.00 33.10 N ATOM 197 CA GLN A 23 -10.220 -5.962 -1.911 1.00 42.00 C ATOM 198 C GLN A 23 -10.100 -6.322 -3.388 1.00 13.30 C ATOM 199 O GLN A 23 -10.650 -7.324 -3.843 1.00 64.20 O ATOM 200 CB GLN A 23 -11.400 -4.998 -1.710 1.00 32.20 C ATOM 201 CG GLN A 23 -12.010 -5.069 -0.322 1.00 70.30 C ATOM 202 CD GLN A 23 -13.390 -4.443 -0.263 1.00 13.30 C ATOM 203 OE1 GLN A 23 -13.570 -3.371 0.314 1.00 32.10 O ATOM 204 NE2 GLN A 23 -14.370 -5.111 -0.861 1.00 34.50 N ATOM 0 H GLN A 23 -9.015 -4.353 -1.336 1.00 33.10 H new ATOM 0 HA GLN A 23 -10.399 -6.877 -1.347 1.00 42.00 H new ATOM 0 HB2 GLN A 23 -11.062 -3.979 -1.898 1.00 32.20 H new ATOM 0 HB3 GLN A 23 -12.170 -5.220 -2.449 1.00 32.20 H new ATOM 0 HG2 GLN A 23 -12.073 -6.111 -0.009 1.00 70.30 H new ATOM 0 HG3 GLN A 23 -11.354 -4.563 0.386 1.00 70.30 H new ATOM 0 HE21 GLN A 23 -14.173 -5.997 -1.327 1.00 34.50 H new ATOM 0 HE22 GLN A 23 -15.319 -4.738 -0.854 1.00 34.50 H new ATOM 213 N GLU A 24 -9.369 -5.498 -4.131 1.00 54.50 N ATOM 214 CA GLU A 24 -9.167 -5.729 -5.556 1.00 43.20 C ATOM 215 C GLU A 24 -8.430 -7.043 -5.795 1.00 15.00 C ATOM 216 O GLU A 24 -8.884 -7.890 -6.564 1.00 40.20 O ATOM 217 CB GLU A 24 -8.384 -4.571 -6.177 1.00 22.20 C ATOM 218 CG GLU A 24 -9.224 -3.328 -6.417 1.00 72.30 C ATOM 219 CD GLU A 24 -10.140 -3.467 -7.617 1.00 24.10 C ATOM 220 OE1 GLU A 24 -11.190 -4.126 -7.487 1.00 42.30 O ATOM 221 OE2 GLU A 24 -9.805 -2.916 -8.687 1.00 52.30 O ATOM 0 H GLU A 24 -8.906 -4.664 -3.769 1.00 54.50 H new ATOM 0 HA GLU A 24 -10.146 -5.791 -6.030 1.00 43.20 H new ATOM 0 HB2 GLU A 24 -7.550 -4.315 -5.523 1.00 22.20 H new ATOM 0 HB3 GLU A 24 -7.957 -4.899 -7.125 1.00 22.20 H new ATOM 0 HG2 GLU A 24 -9.822 -3.121 -5.530 1.00 72.30 H new ATOM 0 HG3 GLU A 24 -8.566 -2.472 -6.564 1.00 72.30 H new ATOM 228 N ASP A 25 -7.290 -7.205 -5.131 1.00 32.50 N ATOM 229 CA ASP A 25 -6.489 -8.416 -5.271 1.00 63.10 C ATOM 230 C ASP A 25 -7.276 -9.643 -4.822 1.00 74.10 C ATOM 231 O ASP A 25 -7.306 -10.660 -5.514 1.00 40.20 O ATOM 232 CB ASP A 25 -5.200 -8.296 -4.457 1.00 15.40 C ATOM 233 CG ASP A 25 -4.110 -9.221 -4.962 1.00 5.21 C ATOM 234 OD1 ASP A 25 -3.692 -9.066 -6.129 1.00 50.10 O ATOM 235 OD2 ASP A 25 -3.674 -10.100 -4.191 1.00 4.13 O ATOM 0 H ASP A 25 -6.900 -6.513 -4.491 1.00 32.50 H new ATOM 0 HA ASP A 25 -6.235 -8.535 -6.324 1.00 63.10 H new ATOM 0 HB2 ASP A 25 -4.845 -7.266 -4.494 1.00 15.40 H new ATOM 0 HB3 ASP A 25 -5.411 -8.524 -3.412 1.00 15.40 H new ATOM 240 N LYS A 26 -7.911 -9.539 -3.659 1.00 25.10 N ATOM 241 CA LYS A 26 -8.698 -10.640 -3.117 1.00 72.40 C ATOM 242 C LYS A 26 -9.864 -10.980 -4.040 1.00 24.10 C ATOM 243 O LYS A 26 -10.280 -12.130 -4.126 1.00 51.30 O ATOM 244 CB LYS A 26 -9.222 -10.280 -1.725 1.00 13.00 C ATOM 245 CG LYS A 26 -9.444 -11.490 -0.831 1.00 10.40 C ATOM 246 CD LYS A 26 -9.992 -11.080 0.528 1.00 23.20 C ATOM 247 CE LYS A 26 -11.500 -11.170 0.567 1.00 43.20 C ATOM 248 NZ LYS A 26 -12.150 -9.859 0.310 1.00 25.50 N ATOM 0 H LYS A 26 -7.896 -8.703 -3.074 1.00 25.10 H new ATOM 0 HA LYS A 26 -8.052 -11.515 -3.040 1.00 72.40 H new ATOM 0 HB2 LYS A 26 -8.515 -9.606 -1.242 1.00 13.00 H new ATOM 0 HB3 LYS A 26 -10.161 -9.737 -1.828 1.00 13.00 H new ATOM 0 HG2 LYS A 26 -10.138 -12.178 -1.313 1.00 10.40 H new ATOM 0 HG3 LYS A 26 -8.504 -12.025 -0.700 1.00 10.40 H new ATOM 0 HD2 LYS A 26 -9.568 -11.721 1.301 1.00 23.20 H new ATOM 0 HD3 LYS A 26 -9.681 -10.060 0.754 1.00 23.20 H new ATOM 0 HE2 LYS A 26 -11.838 -11.892 -0.176 1.00 43.20 H new ATOM 0 HE3 LYS A 26 -11.814 -11.544 1.541 1.00 43.20 H new ATOM 0 HZ1 LYS A 26 -13.173 -9.939 0.480 1.00 25.50 H new ATOM 0 HZ2 LYS A 26 -11.749 -9.142 0.947 1.00 25.50 H new ATOM 0 HZ3 LYS A 26 -11.984 -9.577 -0.677 1.00 25.50 H new ATOM 262 N ALA A 27 -10.380 -9.971 -4.729 1.00 34.30 N ATOM 263 CA ALA A 27 -11.490 -10.160 -5.645 1.00 73.00 C ATOM 264 C ALA A 27 -11.040 -10.870 -6.917 1.00 53.40 C ATOM 265 O ALA A 27 -11.700 -11.800 -7.381 1.00 71.10 O ATOM 266 CB ALA A 27 -12.130 -8.826 -5.985 1.00 21.00 C ATOM 0 H ALA A 27 -10.044 -9.010 -4.668 1.00 34.30 H new ATOM 0 HA ALA A 27 -12.230 -10.789 -5.150 1.00 73.00 H new ATOM 0 HB1 ALA A 27 -12.960 -8.986 -6.673 1.00 21.00 H new ATOM 0 HB2 ALA A 27 -12.499 -8.357 -5.073 1.00 21.00 H new ATOM 0 HB3 ALA A 27 -11.391 -8.177 -6.454 1.00 21.00 H new ATOM 272 N GLY A 28 -9.929 -10.420 -7.474 1.00 32.20 N ATOM 273 CA GLY A 28 -9.411 -11.030 -8.687 1.00 32.40 C ATOM 274 C GLY A 28 -8.518 -10.090 -9.471 1.00 22.10 C ATOM 275 O GLY A 28 -7.617 -10.530 -10.180 1.00 42.10 O ATOM 0 H GLY A 28 -9.374 -9.645 -7.112 1.00 32.20 H new ATOM 0 HA2 GLY A 28 -8.850 -11.928 -8.428 1.00 32.40 H new ATOM 0 HA3 GLY A 28 -10.244 -11.345 -9.316 1.00 32.40 H new ATOM 279 N ASN A 29 -8.769 -8.794 -9.338 1.00 33.50 N ATOM 280 CA ASN A 29 -7.981 -7.788 -10.040 1.00 73.40 C ATOM 281 C ASN A 29 -6.614 -7.614 -9.386 1.00 43.20 C ATOM 282 O ASN A 29 -6.518 -7.295 -8.201 1.00 14.20 O ATOM 283 CB ASN A 29 -8.723 -6.451 -10.050 1.00 10.30 C ATOM 284 CG ASN A 29 -10.090 -6.561 -10.690 1.00 32.20 C ATOM 285 OD1 ASN A 29 -10.450 -7.597 -11.250 1.00 4.13 O ATOM 286 ND2 ASN A 29 -10.870 -5.490 -10.600 1.00 40.40 N ATOM 0 H ASN A 29 -9.512 -8.414 -8.751 1.00 33.50 H new ATOM 0 HA ASN A 29 -7.834 -8.127 -11.066 1.00 73.40 H new ATOM 0 HB2 ASN A 29 -8.830 -6.089 -9.027 1.00 10.30 H new ATOM 0 HB3 ASN A 29 -8.130 -5.712 -10.589 1.00 10.30 H new ATOM 0 HD21 ASN A 29 -11.807 -5.506 -11.004 1.00 40.40 H new ATOM 0 HD22 ASN A 29 -10.533 -4.652 -10.127 1.00 40.40 H new ATOM 293 N TYR A 30 -5.559 -7.826 -10.160 1.00 10.20 N ATOM 294 CA TYR A 30 -4.197 -7.692 -9.662 1.00 52.30 C ATOM 295 C TYR A 30 -3.525 -6.449 -10.230 1.00 61.20 C ATOM 296 O TYR A 30 -2.734 -5.790 -9.559 1.00 0.22 O ATOM 297 CB TYR A 30 -3.378 -8.936 -10.010 1.00 65.30 C ATOM 298 CG TYR A 30 -3.603 -10.090 -9.067 1.00 3.41 C ATOM 299 CD1 TYR A 30 -4.887 -10.480 -8.708 1.00 22.10 C ATOM 300 CD2 TYR A 30 -2.530 -10.790 -8.533 1.00 31.10 C ATOM 301 CE1 TYR A 30 -5.097 -11.540 -7.845 1.00 4.15 C ATOM 302 CE2 TYR A 30 -2.732 -11.850 -7.669 1.00 11.00 C ATOM 303 CZ TYR A 30 -4.016 -12.220 -7.329 1.00 63.20 C ATOM 304 OH TYR A 30 -4.221 -13.280 -6.469 1.00 62.30 O ATOM 0 H TYR A 30 -5.621 -8.093 -11.142 1.00 10.20 H new ATOM 0 HA TYR A 30 -4.245 -7.589 -8.578 1.00 52.30 H new ATOM 0 HB2 TYR A 30 -3.626 -9.252 -11.023 1.00 65.30 H new ATOM 0 HB3 TYR A 30 -2.319 -8.676 -10.007 1.00 65.30 H new ATOM 0 HD1 TYR A 30 -5.736 -9.946 -9.110 1.00 22.10 H new ATOM 0 HD2 TYR A 30 -1.523 -10.502 -8.796 1.00 31.10 H new ATOM 0 HE1 TYR A 30 -6.102 -11.833 -7.577 1.00 4.15 H new ATOM 0 HE2 TYR A 30 -1.887 -12.386 -7.262 1.00 11.00 H new ATOM 0 HH TYR A 30 -3.356 -13.652 -6.196 1.00 62.30 H new ATOM 314 N GLU A 31 -3.844 -6.133 -11.480 1.00 70.50 N ATOM 315 CA GLU A 31 -3.270 -4.968 -12.150 1.00 20.10 C ATOM 316 C GLU A 31 -3.618 -3.688 -11.390 1.00 20.10 C ATOM 317 O GLU A 31 -2.733 -2.938 -10.980 1.00 44.00 O ATOM 318 CB GLU A 31 -3.772 -4.880 -13.590 1.00 1.22 C ATOM 319 CG GLU A 31 -2.904 -5.634 -14.580 1.00 0.01 C ATOM 320 CD GLU A 31 -3.433 -5.549 -16.000 1.00 62.30 C ATOM 321 OE1 GLU A 31 -3.130 -4.552 -16.690 1.00 53.10 O ATOM 322 OE2 GLU A 31 -4.151 -6.480 -16.420 1.00 12.30 O ATOM 0 H GLU A 31 -4.498 -6.667 -12.052 1.00 70.50 H new ATOM 0 HA GLU A 31 -2.186 -5.080 -12.165 1.00 20.10 H new ATOM 0 HB2 GLU A 31 -4.788 -5.272 -13.637 1.00 1.22 H new ATOM 0 HB3 GLU A 31 -3.821 -3.832 -13.886 1.00 1.22 H new ATOM 0 HG2 GLU A 31 -1.891 -5.233 -14.549 1.00 0.01 H new ATOM 0 HG3 GLU A 31 -2.842 -6.680 -14.281 1.00 0.01 H new ATOM 329 N GLU A 32 -4.913 -3.444 -11.220 1.00 1.34 N ATOM 330 CA GLU A 32 -5.378 -2.254 -10.520 1.00 74.20 C ATOM 331 C GLU A 32 -4.952 -2.286 -9.057 1.00 54.30 C ATOM 332 O GLU A 32 -4.660 -1.248 -8.463 1.00 41.10 O ATOM 333 CB GLU A 32 -6.900 -2.140 -10.620 1.00 54.50 C ATOM 334 CG GLU A 32 -7.416 -0.719 -10.450 1.00 4.24 C ATOM 335 CD GLU A 32 -7.783 -0.076 -11.770 1.00 54.10 C ATOM 336 OE1 GLU A 32 -7.078 -0.330 -12.770 1.00 35.10 O ATOM 337 OE2 GLU A 32 -8.774 0.683 -11.810 1.00 2.20 O ATOM 0 H GLU A 32 -5.658 -4.054 -11.557 1.00 1.34 H new ATOM 0 HA GLU A 32 -4.925 -1.382 -10.993 1.00 74.20 H new ATOM 0 HB2 GLU A 32 -7.222 -2.521 -11.589 1.00 54.50 H new ATOM 0 HB3 GLU A 32 -7.354 -2.776 -9.860 1.00 54.50 H new ATOM 0 HG2 GLU A 32 -8.290 -0.728 -9.798 1.00 4.24 H new ATOM 0 HG3 GLU A 32 -6.655 -0.116 -9.954 1.00 4.24 H new ATOM 344 N ALA A 33 -4.920 -3.483 -8.482 1.00 15.20 N ATOM 345 CA ALA A 33 -4.530 -3.650 -7.087 1.00 1.43 C ATOM 346 C ALA A 33 -3.060 -3.301 -6.883 1.00 24.50 C ATOM 347 O ALA A 33 -2.693 -2.674 -5.889 1.00 51.50 O ATOM 348 CB ALA A 33 -4.804 -5.075 -6.631 1.00 13.20 C ATOM 0 H ALA A 33 -5.159 -4.352 -8.960 1.00 15.20 H new ATOM 0 HA ALA A 33 -5.126 -2.965 -6.483 1.00 1.43 H new ATOM 0 HB1 ALA A 33 -4.508 -5.186 -5.588 1.00 13.20 H new ATOM 0 HB2 ALA A 33 -5.868 -5.291 -6.732 1.00 13.20 H new ATOM 0 HB3 ALA A 33 -4.233 -5.770 -7.246 1.00 13.20 H new ATOM 354 N LEU A 34 -2.222 -3.711 -7.830 1.00 63.20 N ATOM 355 CA LEU A 34 -0.791 -3.441 -7.754 1.00 62.40 C ATOM 356 C LEU A 34 -0.522 -1.941 -7.720 1.00 52.00 C ATOM 357 O LEU A 34 0.304 -1.466 -6.940 1.00 72.10 O ATOM 358 CB LEU A 34 -0.068 -4.075 -8.944 1.00 14.50 C ATOM 359 CG LEU A 34 1.439 -3.818 -8.996 1.00 11.00 C ATOM 360 CD1 LEU A 34 2.101 -4.257 -7.699 1.00 23.00 C ATOM 361 CD2 LEU A 34 2.060 -4.538 -10.180 1.00 44.40 C ATOM 0 H LEU A 34 -2.509 -4.231 -8.659 1.00 63.20 H new ATOM 0 HA LEU A 34 -0.411 -3.880 -6.831 1.00 62.40 H new ATOM 0 HB2 LEU A 34 -0.237 -5.152 -8.921 1.00 14.50 H new ATOM 0 HB3 LEU A 34 -0.517 -3.701 -9.864 1.00 14.50 H new ATOM 0 HG LEU A 34 1.601 -2.747 -9.119 1.00 11.00 H new ATOM 0 HD11 LEU A 34 3.173 -4.066 -7.755 1.00 23.00 H new ATOM 0 HD12 LEU A 34 1.676 -3.697 -6.866 1.00 23.00 H new ATOM 0 HD13 LEU A 34 1.930 -5.322 -7.545 1.00 23.00 H new ATOM 0 HD21 LEU A 34 3.132 -4.344 -10.202 1.00 44.40 H new ATOM 0 HD22 LEU A 34 1.887 -5.610 -10.086 1.00 44.40 H new ATOM 0 HD23 LEU A 34 1.607 -4.177 -11.104 1.00 44.40 H new ATOM 373 N GLN A 35 -1.224 -1.199 -8.570 1.00 72.20 N ATOM 374 CA GLN A 35 -1.060 0.249 -8.638 1.00 1.45 C ATOM 375 C GLN A 35 -1.552 0.912 -7.355 1.00 32.40 C ATOM 376 O GLN A 35 -0.933 1.851 -6.853 1.00 44.50 O ATOM 377 CB GLN A 35 -1.818 0.813 -9.841 1.00 33.00 C ATOM 378 CG GLN A 35 -1.255 0.365 -11.170 1.00 63.40 C ATOM 379 CD GLN A 35 -1.351 1.441 -12.240 1.00 74.30 C ATOM 380 OE1 GLN A 35 -2.366 1.565 -12.920 1.00 62.50 O ATOM 381 NE2 GLN A 35 -0.290 2.227 -12.380 1.00 24.40 N ATOM 0 H GLN A 35 -1.912 -1.576 -9.222 1.00 72.20 H new ATOM 0 HA GLN A 35 0.002 0.465 -8.753 1.00 1.45 H new ATOM 0 HB2 GLN A 35 -2.863 0.510 -9.777 1.00 33.00 H new ATOM 0 HB3 GLN A 35 -1.799 1.902 -9.795 1.00 33.00 H new ATOM 0 HG2 GLN A 35 -0.211 0.079 -11.040 1.00 63.40 H new ATOM 0 HG3 GLN A 35 -1.789 -0.524 -11.505 1.00 63.40 H new ATOM 0 HE21 GLN A 35 0.531 2.085 -11.791 1.00 24.40 H new ATOM 0 HE22 GLN A 35 -0.296 2.973 -13.076 1.00 24.40 H new ATOM 390 N LEU A 36 -2.668 0.418 -6.830 1.00 53.40 N ATOM 391 CA LEU A 36 -3.243 0.963 -5.606 1.00 54.40 C ATOM 392 C LEU A 36 -2.356 0.656 -4.404 1.00 11.10 C ATOM 393 O LEU A 36 -2.199 1.485 -3.507 1.00 12.50 O ATOM 394 CB LEU A 36 -4.645 0.395 -5.378 1.00 1.44 C ATOM 395 CG LEU A 36 -5.642 0.658 -6.508 1.00 13.00 C ATOM 396 CD1 LEU A 36 -6.658 -0.470 -6.598 1.00 62.10 C ATOM 397 CD2 LEU A 36 -6.341 1.993 -6.299 1.00 22.00 C ATOM 0 H LEU A 36 -3.192 -0.359 -7.233 1.00 53.40 H new ATOM 0 HA LEU A 36 -3.311 2.045 -5.718 1.00 54.40 H new ATOM 0 HB2 LEU A 36 -4.564 -0.682 -5.229 1.00 1.44 H new ATOM 0 HB3 LEU A 36 -5.045 0.816 -4.456 1.00 1.44 H new ATOM 0 HG LEU A 36 -5.094 0.700 -7.449 1.00 13.00 H new ATOM 0 HD11 LEU A 36 -7.359 -0.265 -7.407 1.00 62.10 H new ATOM 0 HD12 LEU A 36 -6.142 -1.410 -6.794 1.00 62.10 H new ATOM 0 HD13 LEU A 36 -7.203 -0.545 -5.657 1.00 62.10 H new ATOM 0 HD21 LEU A 36 -7.047 2.165 -7.111 1.00 22.00 H new ATOM 0 HD22 LEU A 36 -6.877 1.979 -5.350 1.00 22.00 H new ATOM 0 HD23 LEU A 36 -5.601 2.793 -6.286 1.00 22.00 H new ATOM 409 N TYR A 37 -1.777 -0.540 -4.392 1.00 25.50 N ATOM 410 CA TYR A 37 -0.905 -0.957 -3.300 1.00 64.30 C ATOM 411 C TYR A 37 0.292 -0.020 -3.171 1.00 53.20 C ATOM 412 O TYR A 37 0.640 0.410 -2.072 1.00 61.40 O ATOM 413 CB TYR A 37 -0.422 -2.391 -3.524 1.00 2.03 C ATOM 414 CG TYR A 37 -1.476 -3.437 -3.238 1.00 13.40 C ATOM 415 CD1 TYR A 37 -2.267 -3.361 -2.098 1.00 2.15 C ATOM 416 CD2 TYR A 37 -1.680 -4.501 -4.108 1.00 55.20 C ATOM 417 CE1 TYR A 37 -3.231 -4.315 -1.833 1.00 14.50 C ATOM 418 CE2 TYR A 37 -2.642 -5.459 -3.850 1.00 12.40 C ATOM 419 CZ TYR A 37 -3.415 -5.362 -2.712 1.00 31.50 C ATOM 420 OH TYR A 37 -4.374 -6.313 -2.451 1.00 24.40 O ATOM 0 H TYR A 37 -1.896 -1.238 -5.126 1.00 25.50 H new ATOM 0 HA TYR A 37 -1.479 -0.914 -2.374 1.00 64.30 H new ATOM 0 HB2 TYR A 37 -0.089 -2.496 -4.556 1.00 2.03 H new ATOM 0 HB3 TYR A 37 0.444 -2.577 -2.889 1.00 2.03 H new ATOM 0 HD1 TYR A 37 -2.126 -2.543 -1.408 1.00 2.15 H new ATOM 0 HD2 TYR A 37 -1.077 -4.581 -5.000 1.00 55.20 H new ATOM 0 HE1 TYR A 37 -3.837 -4.241 -0.942 1.00 14.50 H new ATOM 0 HE2 TYR A 37 -2.788 -6.280 -4.536 1.00 12.40 H new ATOM 0 HH TYR A 37 -5.215 -6.058 -2.886 1.00 24.40 H new ATOM 430 N GLN A 38 0.917 0.291 -4.302 1.00 32.40 N ATOM 431 CA GLN A 38 2.075 1.177 -4.315 1.00 60.20 C ATOM 432 C GLN A 38 1.715 2.552 -3.762 1.00 54.10 C ATOM 433 O GLN A 38 2.487 3.155 -3.016 1.00 61.40 O ATOM 434 CB GLN A 38 2.623 1.315 -5.737 1.00 31.40 C ATOM 435 CG GLN A 38 3.109 0.003 -6.330 1.00 20.50 C ATOM 436 CD GLN A 38 3.484 0.129 -7.794 1.00 14.20 C ATOM 437 OE1 GLN A 38 4.595 0.540 -8.129 1.00 61.40 O ATOM 438 NE2 GLN A 38 2.556 -0.225 -8.675 1.00 74.20 N ATOM 0 H GLN A 38 0.641 -0.057 -5.220 1.00 32.40 H new ATOM 0 HA GLN A 38 2.843 0.738 -3.678 1.00 60.20 H new ATOM 0 HB2 GLN A 38 1.845 1.729 -6.379 1.00 31.40 H new ATOM 0 HB3 GLN A 38 3.446 2.030 -5.733 1.00 31.40 H new ATOM 0 HG2 GLN A 38 3.973 -0.348 -5.766 1.00 20.50 H new ATOM 0 HG3 GLN A 38 2.330 -0.751 -6.222 1.00 20.50 H new ATOM 0 HE21 GLN A 38 1.648 -0.560 -8.353 1.00 74.20 H new ATOM 0 HE22 GLN A 38 2.751 -0.162 -9.674 1.00 74.20 H new ATOM 447 N HIS A 39 0.536 3.043 -4.133 1.00 74.50 N ATOM 448 CA HIS A 39 0.073 4.347 -3.673 1.00 33.20 C ATOM 449 C HIS A 39 -0.110 4.357 -2.159 1.00 75.40 C ATOM 450 O HIS A 39 0.161 5.359 -1.498 1.00 53.40 O ATOM 451 CB HIS A 39 -1.244 4.714 -4.360 1.00 5.30 C ATOM 452 CG HIS A 39 -1.064 5.293 -5.729 1.00 31.50 C ATOM 453 ND1 HIS A 39 -2.118 5.706 -6.516 1.00 52.30 N ATOM 454 CD2 HIS A 39 0.057 5.529 -6.451 1.00 55.30 C ATOM 455 CE1 HIS A 39 -1.653 6.169 -7.663 1.00 73.10 C ATOM 456 NE2 HIS A 39 -0.337 6.074 -7.648 1.00 3.21 N ATOM 0 H HIS A 39 -0.115 2.558 -4.750 1.00 74.50 H new ATOM 0 HA HIS A 39 0.830 5.087 -3.934 1.00 33.20 H new ATOM 0 HB2 HIS A 39 -1.868 3.823 -4.430 1.00 5.30 H new ATOM 0 HB3 HIS A 39 -1.781 5.431 -3.739 1.00 5.30 H new ATOM 0 HD2 HIS A 39 1.072 5.326 -6.143 1.00 55.30 H new ATOM 0 HE1 HIS A 39 -2.249 6.559 -8.475 1.00 73.10 H new ATOM 0 HE2 HIS A 39 0.286 6.359 -8.403 1.00 3.21 H new ATOM 465 N ALA A 40 -0.571 3.235 -1.617 1.00 5.21 N ATOM 466 CA ALA A 40 -0.791 3.114 -0.180 1.00 53.10 C ATOM 467 C ALA A 40 0.500 3.353 0.595 1.00 3.40 C ATOM 468 O ALA A 40 0.531 4.140 1.541 1.00 52.30 O ATOM 469 CB ALA A 40 -1.362 1.744 0.152 1.00 71.50 C ATOM 0 H ALA A 40 -0.800 2.396 -2.151 1.00 5.21 H new ATOM 0 HA ALA A 40 -1.509 3.877 0.118 1.00 53.10 H new ATOM 0 HB1 ALA A 40 -1.521 1.667 1.228 1.00 71.50 H new ATOM 0 HB2 ALA A 40 -2.312 1.610 -0.366 1.00 71.50 H new ATOM 0 HB3 ALA A 40 -0.663 0.971 -0.167 1.00 71.50 H new ATOM 475 N VAL A 41 1.565 2.670 0.188 1.00 45.00 N ATOM 476 CA VAL A 41 2.859 2.809 0.845 1.00 33.00 C ATOM 477 C VAL A 41 3.401 4.226 0.695 1.00 3.11 C ATOM 478 O VAL A 41 4.035 4.758 1.607 1.00 73.10 O ATOM 479 CB VAL A 41 3.889 1.815 0.275 1.00 32.50 C ATOM 480 CG1 VAL A 41 5.169 1.841 1.097 1.00 24.20 C ATOM 481 CG2 VAL A 41 3.305 0.411 0.226 1.00 52.10 C ATOM 0 H VAL A 41 1.557 2.015 -0.594 1.00 45.00 H new ATOM 0 HA VAL A 41 2.702 2.592 1.902 1.00 33.00 H new ATOM 0 HB VAL A 41 4.134 2.117 -0.743 1.00 32.50 H new ATOM 0 HG11 VAL A 41 5.884 1.133 0.679 1.00 24.20 H new ATOM 0 HG12 VAL A 41 5.596 2.844 1.074 1.00 24.20 H new ATOM 0 HG13 VAL A 41 4.945 1.565 2.128 1.00 24.20 H new ATOM 0 HG21 VAL A 41 4.046 -0.278 -0.179 1.00 52.10 H new ATOM 0 HG22 VAL A 41 3.029 0.096 1.233 1.00 52.10 H new ATOM 0 HG23 VAL A 41 2.420 0.407 -0.410 1.00 52.10 H new ATOM 491 N GLN A 42 3.147 4.833 -0.460 1.00 5.44 N ATOM 492 CA GLN A 42 3.610 6.189 -0.728 1.00 24.30 C ATOM 493 C GLN A 42 2.951 7.187 0.218 1.00 55.40 C ATOM 494 O GLN A 42 3.614 8.064 0.771 1.00 62.20 O ATOM 495 CB GLN A 42 3.315 6.573 -2.180 1.00 71.40 C ATOM 496 CG GLN A 42 4.373 6.098 -3.162 1.00 25.10 C ATOM 497 CD GLN A 42 4.492 7.002 -4.373 1.00 32.20 C ATOM 498 OE1 GLN A 42 3.534 7.178 -5.127 1.00 30.30 O ATOM 499 NE2 GLN A 42 5.671 7.581 -4.567 1.00 3.14 N ATOM 0 H GLN A 42 2.623 4.407 -1.225 1.00 5.44 H new ATOM 0 HA GLN A 42 4.687 6.217 -0.563 1.00 24.30 H new ATOM 0 HB2 GLN A 42 2.350 6.156 -2.468 1.00 71.40 H new ATOM 0 HB3 GLN A 42 3.227 7.657 -2.250 1.00 71.40 H new ATOM 0 HG2 GLN A 42 5.337 6.047 -2.655 1.00 25.10 H new ATOM 0 HG3 GLN A 42 4.131 5.087 -3.490 1.00 25.10 H new ATOM 0 HE21 GLN A 42 6.438 7.407 -3.917 1.00 3.14 H new ATOM 0 HE22 GLN A 42 5.810 8.200 -5.366 1.00 3.14 H new ATOM 508 N TYR A 43 1.641 7.047 0.398 1.00 30.20 N ATOM 509 CA TYR A 43 0.892 7.937 1.278 1.00 62.50 C ATOM 510 C TYR A 43 1.171 7.616 2.742 1.00 14.50 C ATOM 511 O TYR A 43 1.242 8.513 3.582 1.00 13.30 O ATOM 512 CB TYR A 43 -0.607 7.823 0.995 1.00 63.10 C ATOM 513 CG TYR A 43 -1.009 8.348 -0.365 1.00 30.30 C ATOM 514 CD1 TYR A 43 -0.815 9.682 -0.700 1.00 73.50 C ATOM 515 CD2 TYR A 43 -1.582 7.510 -1.313 1.00 22.30 C ATOM 516 CE1 TYR A 43 -1.181 10.166 -1.942 1.00 3.50 C ATOM 517 CE2 TYR A 43 -1.951 7.986 -2.557 1.00 54.10 C ATOM 518 CZ TYR A 43 -1.748 9.314 -2.866 1.00 22.40 C ATOM 519 OH TYR A 43 -2.114 9.792 -4.104 1.00 15.00 O ATOM 0 H TYR A 43 1.077 6.327 -0.053 1.00 30.20 H new ATOM 0 HA TYR A 43 1.216 8.959 1.082 1.00 62.50 H new ATOM 0 HB2 TYR A 43 -0.904 6.777 1.074 1.00 63.10 H new ATOM 0 HB3 TYR A 43 -1.156 8.369 1.762 1.00 63.10 H new ATOM 0 HD1 TYR A 43 -0.371 10.352 0.022 1.00 73.50 H new ATOM 0 HD2 TYR A 43 -1.742 6.469 -1.074 1.00 22.30 H new ATOM 0 HE1 TYR A 43 -1.024 11.206 -2.187 1.00 3.50 H new ATOM 0 HE2 TYR A 43 -2.396 7.321 -3.283 1.00 54.10 H new ATOM 0 HH TYR A 43 -2.497 9.063 -4.636 1.00 15.00 H new ATOM 529 N PHE A 44 1.327 6.331 3.042 1.00 41.30 N ATOM 530 CA PHE A 44 1.598 5.892 4.406 1.00 11.00 C ATOM 531 C PHE A 44 2.961 6.387 4.877 1.00 53.20 C ATOM 532 O PHE A 44 3.088 6.946 5.966 1.00 62.40 O ATOM 533 CB PHE A 44 1.539 4.366 4.494 1.00 50.40 C ATOM 534 CG PHE A 44 0.143 3.826 4.631 1.00 33.50 C ATOM 535 CD1 PHE A 44 -0.718 4.332 5.591 1.00 74.40 C ATOM 536 CD2 PHE A 44 -0.307 2.813 3.799 1.00 2.51 C ATOM 537 CE1 PHE A 44 -2.002 3.838 5.720 1.00 15.10 C ATOM 538 CE2 PHE A 44 -1.590 2.315 3.923 1.00 60.30 C ATOM 539 CZ PHE A 44 -2.439 2.828 4.884 1.00 62.30 C ATOM 0 H PHE A 44 1.270 5.575 2.359 1.00 41.30 H new ATOM 0 HA PHE A 44 0.833 6.317 5.056 1.00 11.00 H new ATOM 0 HB2 PHE A 44 1.998 3.941 3.602 1.00 50.40 H new ATOM 0 HB3 PHE A 44 2.133 4.036 5.346 1.00 50.40 H new ATOM 0 HD1 PHE A 44 -0.382 5.122 6.246 1.00 74.40 H new ATOM 0 HD2 PHE A 44 0.352 2.408 3.045 1.00 2.51 H new ATOM 0 HE1 PHE A 44 -2.663 4.241 6.473 1.00 15.10 H new ATOM 0 HE2 PHE A 44 -1.929 1.525 3.269 1.00 60.30 H new ATOM 0 HZ PHE A 44 -3.442 2.441 4.982 1.00 62.30 H new ATOM 549 N LEU A 45 3.979 6.179 4.048 1.00 54.10 N ATOM 550 CA LEU A 45 5.334 6.605 4.380 1.00 32.30 C ATOM 551 C LEU A 45 5.413 8.123 4.498 1.00 2.21 C ATOM 552 O LEU A 45 6.172 8.654 5.309 1.00 3.10 O ATOM 553 CB LEU A 45 6.320 6.112 3.318 1.00 43.20 C ATOM 554 CG LEU A 45 6.534 4.598 3.286 1.00 22.30 C ATOM 555 CD1 LEU A 45 7.490 4.218 2.166 1.00 64.20 C ATOM 556 CD2 LEU A 45 7.058 4.106 4.627 1.00 55.40 C ATOM 0 H LEU A 45 3.892 5.718 3.142 1.00 54.10 H new ATOM 0 HA LEU A 45 5.600 6.170 5.343 1.00 32.30 H new ATOM 0 HB2 LEU A 45 5.967 6.434 2.339 1.00 43.20 H new ATOM 0 HB3 LEU A 45 7.282 6.596 3.485 1.00 43.20 H new ATOM 0 HG LEU A 45 5.574 4.118 3.095 1.00 22.30 H new ATOM 0 HD11 LEU A 45 7.630 3.137 2.159 1.00 64.20 H new ATOM 0 HD12 LEU A 45 7.075 4.537 1.210 1.00 64.20 H new ATOM 0 HD13 LEU A 45 8.451 4.707 2.326 1.00 64.20 H new ATOM 0 HD21 LEU A 45 7.205 3.027 4.587 1.00 55.40 H new ATOM 0 HD22 LEU A 45 8.008 4.593 4.847 1.00 55.40 H new ATOM 0 HD23 LEU A 45 6.337 4.345 5.409 1.00 55.40 H new ATOM 568 N HIS A 46 4.624 8.817 3.684 1.00 61.40 N ATOM 569 CA HIS A 46 4.605 10.275 3.697 1.00 2.11 C ATOM 570 C HIS A 46 4.062 10.800 5.022 1.00 20.10 C ATOM 571 O HIS A 46 4.461 11.866 5.490 1.00 52.40 O ATOM 572 CB HIS A 46 3.757 10.805 2.540 1.00 11.50 C ATOM 573 CG HIS A 46 3.740 12.299 2.445 1.00 4.02 C ATOM 574 ND1 HIS A 46 4.596 13.012 1.631 1.00 4.21 N ATOM 575 CD2 HIS A 46 2.964 13.218 3.067 1.00 54.50 C ATOM 576 CE1 HIS A 46 4.348 14.303 1.758 1.00 52.40 C ATOM 577 NE2 HIS A 46 3.362 14.455 2.623 1.00 61.10 N ATOM 0 H HIS A 46 3.990 8.393 3.007 1.00 61.40 H new ATOM 0 HA HIS A 46 5.630 10.628 3.579 1.00 2.11 H new ATOM 0 HB2 HIS A 46 4.136 10.394 1.604 1.00 11.50 H new ATOM 0 HB3 HIS A 46 2.735 10.445 2.655 1.00 11.50 H new ATOM 0 HD2 HIS A 46 2.178 13.016 3.780 1.00 54.50 H new ATOM 0 HE1 HIS A 46 4.864 15.099 1.242 1.00 52.40 H new ATOM 0 HE2 HIS A 46 2.961 15.347 2.914 1.00 61.10 H new ATOM 586 N VAL A 47 3.149 10.044 5.623 1.00 4.13 N ATOM 587 CA VAL A 47 2.551 10.433 6.895 1.00 45.20 C ATOM 588 C VAL A 47 3.484 10.117 8.059 1.00 24.50 C ATOM 589 O VAL A 47 3.774 10.981 8.887 1.00 53.30 O ATOM 590 CB VAL A 47 1.203 9.721 7.124 1.00 51.40 C ATOM 591 CG1 VAL A 47 0.520 10.258 8.373 1.00 63.50 C ATOM 592 CG2 VAL A 47 0.302 9.875 5.907 1.00 24.40 C ATOM 0 H VAL A 47 2.807 9.159 5.250 1.00 4.13 H new ATOM 0 HA VAL A 47 2.381 11.509 6.849 1.00 45.20 H new ATOM 0 HB VAL A 47 1.396 8.658 7.272 1.00 51.40 H new ATOM 0 HG11 VAL A 47 -0.430 9.743 8.518 1.00 63.50 H new ATOM 0 HG12 VAL A 47 1.160 10.089 9.239 1.00 63.50 H new ATOM 0 HG13 VAL A 47 0.340 11.327 8.258 1.00 63.50 H new ATOM 0 HG21 VAL A 47 -0.644 9.366 6.088 1.00 24.40 H new ATOM 0 HG22 VAL A 47 0.115 10.933 5.724 1.00 24.40 H new ATOM 0 HG23 VAL A 47 0.789 9.437 5.036 1.00 24.40 H new ATOM 602 N VAL A 48 3.952 8.875 8.116 1.00 53.00 N ATOM 603 CA VAL A 48 4.853 8.446 9.179 1.00 11.10 C ATOM 604 C VAL A 48 6.178 9.198 9.113 1.00 42.30 C ATOM 605 O VAL A 48 6.730 9.593 10.140 1.00 50.10 O ATOM 606 CB VAL A 48 5.130 6.933 9.104 1.00 15.20 C ATOM 607 CG1 VAL A 48 5.905 6.470 10.328 1.00 63.30 C ATOM 608 CG2 VAL A 48 3.829 6.158 8.962 1.00 64.40 C ATOM 0 H VAL A 48 3.722 8.148 7.439 1.00 53.00 H new ATOM 0 HA VAL A 48 4.357 8.670 10.124 1.00 11.10 H new ATOM 0 HB VAL A 48 5.740 6.737 8.222 1.00 15.20 H new ATOM 0 HG11 VAL A 48 6.091 5.398 10.257 1.00 63.30 H new ATOM 0 HG12 VAL A 48 6.856 7.001 10.379 1.00 63.30 H new ATOM 0 HG13 VAL A 48 5.324 6.678 11.227 1.00 63.30 H new ATOM 0 HG21 VAL A 48 4.045 5.091 8.911 1.00 64.40 H new ATOM 0 HG22 VAL A 48 3.191 6.358 9.823 1.00 64.40 H new ATOM 0 HG23 VAL A 48 3.318 6.469 8.051 1.00 64.40 H new ATOM 618 N LYS A 49 6.682 9.391 7.899 1.00 75.30 N ATOM 619 CA LYS A 49 7.943 10.096 7.700 1.00 3.32 C ATOM 620 C LYS A 49 7.825 11.555 8.129 1.00 75.20 C ATOM 621 O LYS A 49 8.718 12.094 8.783 1.00 75.00 O ATOM 622 CB LYS A 49 8.369 10.017 6.232 1.00 21.30 C ATOM 623 CG LYS A 49 9.779 10.525 5.980 1.00 40.00 C ATOM 624 CD LYS A 49 9.901 11.173 4.610 1.00 60.30 C ATOM 625 CE LYS A 49 11.083 12.127 4.549 1.00 11.40 C ATOM 626 NZ LYS A 49 12.329 11.502 5.070 1.00 62.40 N ATOM 0 H LYS A 49 6.237 9.070 7.039 1.00 75.30 H new ATOM 0 HA LYS A 49 8.701 9.615 8.318 1.00 3.32 H new ATOM 0 HB2 LYS A 49 8.299 8.982 5.897 1.00 21.30 H new ATOM 0 HB3 LYS A 49 7.670 10.595 5.628 1.00 21.30 H new ATOM 0 HG2 LYS A 49 10.050 11.247 6.751 1.00 40.00 H new ATOM 0 HG3 LYS A 49 10.484 9.697 6.056 1.00 40.00 H new ATOM 0 HD2 LYS A 49 10.016 10.400 3.850 1.00 60.30 H new ATOM 0 HD3 LYS A 49 8.983 11.714 4.379 1.00 60.30 H new ATOM 0 HE2 LYS A 49 11.240 12.445 3.518 1.00 11.40 H new ATOM 0 HE3 LYS A 49 10.857 13.023 5.128 1.00 11.40 H new ATOM 0 HZ1 LYS A 49 13.143 12.108 4.842 1.00 62.40 H new ATOM 0 HZ2 LYS A 49 12.257 11.392 6.102 1.00 62.40 H new ATOM 0 HZ3 LYS A 49 12.459 10.568 4.630 1.00 62.40 H new ATOM 640 N TYR A 50 6.718 12.188 7.756 1.00 4.55 N ATOM 641 CA TYR A 50 6.483 13.585 8.103 1.00 5.21 C ATOM 642 C TYR A 50 6.146 13.729 9.584 1.00 60.40 C ATOM 643 O TYR A 50 6.934 14.270 10.360 1.00 4.31 O ATOM 644 CB TYR A 50 5.350 14.160 7.252 1.00 73.40 C ATOM 645 CG TYR A 50 5.793 14.616 5.880 1.00 62.20 C ATOM 646 CD1 TYR A 50 6.425 13.740 5.006 1.00 62.30 C ATOM 647 CD2 TYR A 50 5.580 15.923 5.460 1.00 32.10 C ATOM 648 CE1 TYR A 50 6.832 14.154 3.752 1.00 21.30 C ATOM 649 CE2 TYR A 50 5.984 16.344 4.207 1.00 41.40 C ATOM 650 CZ TYR A 50 6.609 15.456 3.357 1.00 45.00 C ATOM 651 OH TYR A 50 7.012 15.871 2.109 1.00 62.20 O ATOM 0 H TYR A 50 5.970 11.756 7.214 1.00 4.55 H new ATOM 0 HA TYR A 50 7.398 14.142 7.902 1.00 5.21 H new ATOM 0 HB2 TYR A 50 4.572 13.405 7.141 1.00 73.40 H new ATOM 0 HB3 TYR A 50 4.903 15.003 7.779 1.00 73.40 H new ATOM 0 HD1 TYR A 50 6.601 12.719 5.312 1.00 62.30 H new ATOM 0 HD2 TYR A 50 5.091 16.621 6.123 1.00 32.10 H new ATOM 0 HE1 TYR A 50 7.322 13.461 3.085 1.00 21.30 H new ATOM 0 HE2 TYR A 50 5.811 17.363 3.895 1.00 41.40 H new ATOM 0 HH TYR A 50 6.779 16.815 1.987 1.00 62.20 H new ATOM 661 N GLU A 51 4.971 13.242 9.968 1.00 55.00 N ATOM 662 CA GLU A 51 4.530 13.316 11.356 1.00 63.20 C ATOM 663 C GLU A 51 3.227 12.550 11.555 1.00 21.10 C ATOM 664 O GLU A 51 2.139 13.105 11.401 1.00 71.20 O ATOM 665 CB GLU A 51 4.347 14.775 11.777 1.00 65.30 C ATOM 666 CG GLU A 51 3.600 15.614 10.753 1.00 72.30 C ATOM 667 CD GLU A 51 3.246 16.993 11.276 1.00 64.30 C ATOM 668 OE1 GLU A 51 4.104 17.897 11.196 1.00 21.20 O ATOM 669 OE2 GLU A 51 2.110 17.169 11.766 1.00 73.00 O ATOM 0 H GLU A 51 4.307 12.792 9.338 1.00 55.00 H new ATOM 0 HA GLU A 51 5.298 12.858 11.980 1.00 63.20 H new ATOM 0 HB2 GLU A 51 3.807 14.806 12.724 1.00 65.30 H new ATOM 0 HB3 GLU A 51 5.327 15.219 11.954 1.00 65.30 H new ATOM 0 HG2 GLU A 51 4.211 15.715 9.856 1.00 72.30 H new ATOM 0 HG3 GLU A 51 2.687 15.095 10.460 1.00 72.30 H new ATOM 676 N ALA A 52 3.344 11.271 11.897 1.00 3.21 N ATOM 677 CA ALA A 52 2.176 10.428 12.117 1.00 72.10 C ATOM 678 C ALA A 52 1.358 10.923 13.305 1.00 3.52 C ATOM 679 O ALA A 52 1.690 11.935 13.922 1.00 22.10 O ATOM 680 CB ALA A 52 2.600 8.983 12.332 1.00 20.50 C ATOM 0 H ALA A 52 4.237 10.796 12.028 1.00 3.21 H new ATOM 0 HA ALA A 52 1.548 10.482 11.228 1.00 72.10 H new ATOM 0 HB1 ALA A 52 1.717 8.365 12.495 1.00 20.50 H new ATOM 0 HB2 ALA A 52 3.135 8.626 11.452 1.00 20.50 H new ATOM 0 HB3 ALA A 52 3.252 8.921 13.203 1.00 20.50 H new ATOM 686 N GLN A 53 0.286 10.202 13.621 1.00 4.55 N ATOM 687 CA GLN A 53 -0.579 10.568 14.735 1.00 71.30 C ATOM 688 C GLN A 53 0.169 10.471 16.061 1.00 42.10 C ATOM 689 O GLN A 53 0.369 11.474 16.747 1.00 4.01 O ATOM 690 CB GLN A 53 -1.814 9.666 14.767 1.00 2.10 C ATOM 691 CG GLN A 53 -2.607 9.674 13.470 1.00 60.20 C ATOM 692 CD GLN A 53 -4.094 9.481 13.694 1.00 31.20 C ATOM 693 OE1 GLN A 53 -4.601 9.701 14.794 1.00 54.30 O ATOM 694 NE2 GLN A 53 -4.801 9.066 12.649 1.00 75.40 N ATOM 0 H GLN A 53 -0.003 9.361 13.121 1.00 4.55 H new ATOM 0 HA GLN A 53 -0.895 11.601 14.591 1.00 71.30 H new ATOM 0 HB2 GLN A 53 -1.502 8.645 14.986 1.00 2.10 H new ATOM 0 HB3 GLN A 53 -2.464 9.983 15.583 1.00 2.10 H new ATOM 0 HG2 GLN A 53 -2.441 10.619 12.953 1.00 60.20 H new ATOM 0 HG3 GLN A 53 -2.236 8.884 12.817 1.00 60.20 H new ATOM 0 HE21 GLN A 53 -4.339 8.896 11.756 1.00 75.40 H new ATOM 0 HE22 GLN A 53 -5.806 8.917 12.740 1.00 75.40 H new ATOM 703 N GLY A 54 0.581 9.258 16.414 1.00 43.30 N ATOM 704 CA GLY A 54 1.303 9.053 17.656 1.00 13.40 C ATOM 705 C GLY A 54 2.282 7.898 17.573 1.00 70.00 C ATOM 706 O GLY A 54 2.708 7.513 16.484 1.00 2.32 O ATOM 0 H GLY A 54 0.428 8.414 15.863 1.00 43.30 H new ATOM 0 HA2 GLY A 54 1.842 9.965 17.914 1.00 13.40 H new ATOM 0 HA3 GLY A 54 0.591 8.865 18.460 1.00 13.40 H new ATOM 710 N ASP A 55 2.639 7.344 18.727 1.00 25.10 N ATOM 711 CA ASP A 55 3.574 6.226 18.782 1.00 73.20 C ATOM 712 C ASP A 55 2.914 4.941 18.295 1.00 41.10 C ATOM 713 O ASP A 55 3.380 4.313 17.344 1.00 35.10 O ATOM 714 CB ASP A 55 4.094 6.038 20.208 1.00 44.30 C ATOM 715 CG ASP A 55 5.512 5.502 20.241 1.00 11.40 C ATOM 716 OD1 ASP A 55 5.913 4.825 19.271 1.00 24.00 O ATOM 717 OD2 ASP A 55 6.220 5.759 21.236 1.00 1.43 O ATOM 0 H ASP A 55 2.295 7.651 19.637 1.00 25.10 H new ATOM 0 HA ASP A 55 4.413 6.454 18.125 1.00 73.20 H new ATOM 0 HB2 ASP A 55 4.057 6.992 20.734 1.00 44.30 H new ATOM 0 HB3 ASP A 55 3.437 5.353 20.744 1.00 44.30 H new ATOM 722 N LYS A 56 1.825 4.555 18.952 1.00 60.00 N ATOM 723 CA LYS A 56 1.100 3.344 18.586 1.00 52.40 C ATOM 724 C LYS A 56 0.589 3.428 17.151 1.00 3.40 C ATOM 725 O LYS A 56 0.485 2.416 16.458 1.00 12.30 O ATOM 726 CB LYS A 56 -0.071 3.116 19.544 1.00 30.30 C ATOM 727 CG LYS A 56 0.360 2.748 20.954 1.00 73.20 C ATOM 728 CD LYS A 56 -0.701 1.922 21.663 1.00 64.30 C ATOM 729 CE LYS A 56 -0.819 2.306 23.129 1.00 54.20 C ATOM 730 NZ LYS A 56 -2.229 2.257 23.605 1.00 51.50 N ATOM 0 H LYS A 56 1.425 5.064 19.741 1.00 60.00 H new ATOM 0 HA LYS A 56 1.789 2.502 18.659 1.00 52.40 H new ATOM 0 HB2 LYS A 56 -0.679 4.020 19.583 1.00 30.30 H new ATOM 0 HB3 LYS A 56 -0.705 2.322 19.148 1.00 30.30 H new ATOM 0 HG2 LYS A 56 1.294 2.187 20.915 1.00 73.20 H new ATOM 0 HG3 LYS A 56 0.557 3.656 21.524 1.00 73.20 H new ATOM 0 HD2 LYS A 56 -1.663 2.063 21.170 1.00 64.30 H new ATOM 0 HD3 LYS A 56 -0.454 0.863 21.582 1.00 64.30 H new ATOM 0 HE2 LYS A 56 -0.209 1.632 23.731 1.00 54.20 H new ATOM 0 HE3 LYS A 56 -0.422 3.311 23.274 1.00 54.20 H new ATOM 0 HZ1 LYS A 56 -2.266 2.526 24.609 1.00 51.50 H new ATOM 0 HZ2 LYS A 56 -2.807 2.919 23.048 1.00 51.50 H new ATOM 0 HZ3 LYS A 56 -2.601 1.292 23.491 1.00 51.50 H new ATOM 744 N ALA A 57 0.272 4.642 16.712 1.00 75.00 N ATOM 745 CA ALA A 57 -0.228 4.859 15.360 1.00 24.40 C ATOM 746 C ALA A 57 0.813 4.462 14.320 1.00 24.50 C ATOM 747 O ALA A 57 0.501 3.784 13.341 1.00 42.30 O ATOM 748 CB ALA A 57 -0.634 6.313 15.175 1.00 2.04 C ATOM 0 H ALA A 57 0.353 5.490 17.273 1.00 75.00 H new ATOM 0 HA ALA A 57 -1.105 4.227 15.217 1.00 24.40 H new ATOM 0 HB1 ALA A 57 -1.005 6.461 14.161 1.00 2.04 H new ATOM 0 HB2 ALA A 57 -1.418 6.566 15.889 1.00 2.04 H new ATOM 0 HB3 ALA A 57 0.230 6.956 15.342 1.00 2.04 H new ATOM 754 N LYS A 58 2.053 4.889 14.538 1.00 73.20 N ATOM 755 CA LYS A 58 3.142 4.578 13.618 1.00 63.40 C ATOM 756 C LYS A 58 3.334 3.070 13.492 1.00 31.40 C ATOM 757 O LYS A 58 3.530 2.550 12.393 1.00 51.40 O ATOM 758 CB LYS A 58 4.441 5.231 14.094 1.00 33.10 C ATOM 759 CG LYS A 58 4.376 6.748 14.146 1.00 2.45 C ATOM 760 CD LYS A 58 5.321 7.311 15.196 1.00 35.30 C ATOM 761 CE LYS A 58 5.150 8.813 15.351 1.00 33.50 C ATOM 762 NZ LYS A 58 5.388 9.258 16.752 1.00 70.30 N ATOM 0 H LYS A 58 2.329 5.451 15.343 1.00 73.20 H new ATOM 0 HA LYS A 58 2.881 4.976 12.637 1.00 63.40 H new ATOM 0 HB2 LYS A 58 4.686 4.852 15.086 1.00 33.10 H new ATOM 0 HB3 LYS A 58 5.252 4.933 13.430 1.00 33.10 H new ATOM 0 HG2 LYS A 58 4.631 7.158 13.169 1.00 2.45 H new ATOM 0 HG3 LYS A 58 3.356 7.062 14.367 1.00 2.45 H new ATOM 0 HD2 LYS A 58 5.137 6.822 16.153 1.00 35.30 H new ATOM 0 HD3 LYS A 58 6.351 7.088 14.917 1.00 35.30 H new ATOM 0 HE2 LYS A 58 5.842 9.328 14.684 1.00 33.50 H new ATOM 0 HE3 LYS A 58 4.143 9.097 15.046 1.00 33.50 H new ATOM 0 HZ1 LYS A 58 4.501 9.621 17.156 1.00 70.30 H new ATOM 0 HZ2 LYS A 58 5.724 8.454 17.319 1.00 70.30 H new ATOM 0 HZ3 LYS A 58 6.105 10.011 16.760 1.00 70.30 H new ATOM 776 N GLN A 59 3.275 2.374 14.622 1.00 70.20 N ATOM 777 CA GLN A 59 3.443 0.925 14.637 1.00 35.20 C ATOM 778 C GLN A 59 2.367 0.245 13.797 1.00 70.10 C ATOM 779 O GLN A 59 2.610 -0.794 13.183 1.00 54.10 O ATOM 780 CB GLN A 59 3.393 0.400 16.073 1.00 11.40 C ATOM 781 CG GLN A 59 4.751 0.365 16.756 1.00 44.20 C ATOM 782 CD GLN A 59 4.944 -0.875 17.605 1.00 54.40 C ATOM 783 OE1 GLN A 59 5.539 -1.858 17.163 1.00 74.30 O ATOM 784 NE2 GLN A 59 4.441 -0.836 18.834 1.00 51.30 N ATOM 0 H GLN A 59 3.112 2.789 15.539 1.00 70.20 H new ATOM 0 HA GLN A 59 4.417 0.692 14.206 1.00 35.20 H new ATOM 0 HB2 GLN A 59 2.718 1.026 16.657 1.00 11.40 H new ATOM 0 HB3 GLN A 59 2.972 -0.605 16.069 1.00 11.40 H new ATOM 0 HG2 GLN A 59 5.535 0.409 16.000 1.00 44.20 H new ATOM 0 HG3 GLN A 59 4.862 1.250 17.382 1.00 44.20 H new ATOM 0 HE21 GLN A 59 3.955 -0.001 19.160 1.00 51.30 H new ATOM 0 HE22 GLN A 59 4.541 -1.642 19.452 1.00 51.30 H new ATOM 793 N SER A 60 1.177 0.837 13.775 1.00 15.10 N ATOM 794 CA SER A 60 0.064 0.287 13.010 1.00 0.12 C ATOM 795 C SER A 60 0.293 0.464 11.512 1.00 45.40 C ATOM 796 O SER A 60 0.102 -0.468 10.731 1.00 4.34 O ATOM 797 CB SER A 60 -1.246 0.962 13.420 1.00 61.40 C ATOM 798 OG SER A 60 -2.328 0.048 13.373 1.00 33.30 O ATOM 0 H SER A 60 0.959 1.697 14.278 1.00 15.10 H new ATOM 0 HA SER A 60 -0.001 -0.779 13.226 1.00 0.12 H new ATOM 0 HB2 SER A 60 -1.151 1.366 14.428 1.00 61.40 H new ATOM 0 HB3 SER A 60 -1.448 1.804 12.757 1.00 61.40 H new ATOM 0 HG SER A 60 -3.153 0.504 13.641 1.00 33.30 H new ATOM 804 N ILE A 61 0.704 1.665 11.119 1.00 54.50 N ATOM 805 CA ILE A 61 0.959 1.963 9.715 1.00 32.50 C ATOM 806 C ILE A 61 2.201 1.232 9.216 1.00 43.20 C ATOM 807 O ILE A 61 2.270 0.824 8.057 1.00 41.10 O ATOM 808 CB ILE A 61 1.139 3.476 9.484 1.00 51.40 C ATOM 809 CG1 ILE A 61 -0.016 4.252 10.120 1.00 23.00 C ATOM 810 CG2 ILE A 61 1.231 3.778 7.996 1.00 1.12 C ATOM 811 CD1 ILE A 61 0.097 5.751 9.948 1.00 4.41 C ATOM 0 H ILE A 61 0.867 2.447 11.753 1.00 54.50 H new ATOM 0 HA ILE A 61 0.089 1.620 9.156 1.00 32.50 H new ATOM 0 HB ILE A 61 2.069 3.792 9.957 1.00 51.40 H new ATOM 0 HG12 ILE A 61 -0.955 3.914 9.682 1.00 23.00 H new ATOM 0 HG13 ILE A 61 -0.058 4.018 11.184 1.00 23.00 H new ATOM 0 HG21 ILE A 61 1.358 4.851 7.850 1.00 1.12 H new ATOM 0 HG22 ILE A 61 2.084 3.250 7.570 1.00 1.12 H new ATOM 0 HG23 ILE A 61 0.317 3.450 7.501 1.00 1.12 H new ATOM 0 HD11 ILE A 61 -0.755 6.237 10.423 1.00 4.41 H new ATOM 0 HD12 ILE A 61 1.019 6.102 10.411 1.00 4.41 H new ATOM 0 HD13 ILE A 61 0.108 5.996 8.886 1.00 4.41 H new ATOM 823 N ARG A 62 3.182 1.071 10.099 1.00 31.40 N ATOM 824 CA ARG A 62 4.422 0.389 9.747 1.00 74.10 C ATOM 825 C ARG A 62 4.148 -1.041 9.293 1.00 24.10 C ATOM 826 O ARG A 62 4.638 -1.476 8.251 1.00 64.20 O ATOM 827 CB ARG A 62 5.380 0.383 10.940 1.00 14.20 C ATOM 828 CG ARG A 62 6.173 1.671 11.091 1.00 42.30 C ATOM 829 CD ARG A 62 6.954 1.696 12.395 1.00 44.20 C ATOM 830 NE ARG A 62 7.114 3.053 12.912 1.00 32.30 N ATOM 831 CZ ARG A 62 8.013 3.920 12.450 1.00 24.10 C ATOM 832 NH1 ARG A 62 8.832 3.576 11.464 1.00 63.20 N ATOM 833 NH2 ARG A 62 8.092 5.134 12.977 1.00 52.00 N ATOM 0 H ARG A 62 3.142 1.403 11.063 1.00 31.40 H new ATOM 0 HA ARG A 62 4.883 0.930 8.921 1.00 74.10 H new ATOM 0 HB2 ARG A 62 4.810 0.208 11.852 1.00 14.20 H new ATOM 0 HB3 ARG A 62 6.074 -0.451 10.834 1.00 14.20 H new ATOM 0 HG2 ARG A 62 6.861 1.776 10.252 1.00 42.30 H new ATOM 0 HG3 ARG A 62 5.494 2.523 11.056 1.00 42.30 H new ATOM 0 HD2 ARG A 62 6.441 1.084 13.137 1.00 44.20 H new ATOM 0 HD3 ARG A 62 7.936 1.250 12.238 1.00 44.20 H new ATOM 0 HE ARG A 62 6.502 3.354 13.670 1.00 32.30 H new ATOM 0 HH11 ARG A 62 8.775 2.643 11.056 1.00 63.20 H new ATOM 0 HH12 ARG A 62 9.518 4.245 11.114 1.00 63.20 H new ATOM 0 HH21 ARG A 62 7.465 5.403 13.735 1.00 52.00 H new ATOM 0 HH22 ARG A 62 8.780 5.799 12.624 1.00 52.00 H new ATOM 847 N ALA A 63 3.363 -1.766 10.083 1.00 24.50 N ATOM 848 CA ALA A 63 3.023 -3.147 9.762 1.00 11.20 C ATOM 849 C ALA A 63 2.174 -3.224 8.498 1.00 20.00 C ATOM 850 O ALA A 63 2.262 -4.188 7.737 1.00 52.20 O ATOM 851 CB ALA A 63 2.295 -3.796 10.929 1.00 43.10 C ATOM 0 H ALA A 63 2.951 -1.420 10.950 1.00 24.50 H new ATOM 0 HA ALA A 63 3.950 -3.690 9.579 1.00 11.20 H new ATOM 0 HB1 ALA A 63 2.047 -4.827 10.675 1.00 43.10 H new ATOM 0 HB2 ALA A 63 2.936 -3.783 11.810 1.00 43.10 H new ATOM 0 HB3 ALA A 63 1.379 -3.244 11.139 1.00 43.10 H new ATOM 857 N LYS A 64 1.352 -2.203 8.280 1.00 15.20 N ATOM 858 CA LYS A 64 0.487 -2.155 7.107 1.00 20.20 C ATOM 859 C LYS A 64 1.279 -1.772 5.861 1.00 42.20 C ATOM 860 O LYS A 64 1.078 -2.339 4.787 1.00 13.30 O ATOM 861 CB LYS A 64 -0.652 -1.158 7.328 1.00 3.54 C ATOM 862 CG LYS A 64 -1.690 -1.634 8.330 1.00 33.10 C ATOM 863 CD LYS A 64 -2.970 -0.820 8.235 1.00 55.20 C ATOM 864 CE LYS A 64 -2.723 0.647 8.546 1.00 41.30 C ATOM 865 NZ LYS A 64 -3.833 1.513 8.062 1.00 63.20 N ATOM 0 H LYS A 64 1.267 -1.398 8.900 1.00 15.20 H new ATOM 0 HA LYS A 64 0.067 -3.149 6.956 1.00 20.20 H new ATOM 0 HB2 LYS A 64 -0.234 -0.212 7.672 1.00 3.54 H new ATOM 0 HB3 LYS A 64 -1.142 -0.962 6.375 1.00 3.54 H new ATOM 0 HG2 LYS A 64 -1.913 -2.686 8.153 1.00 33.10 H new ATOM 0 HG3 LYS A 64 -1.284 -1.560 9.339 1.00 33.10 H new ATOM 0 HD2 LYS A 64 -3.389 -0.915 7.233 1.00 55.20 H new ATOM 0 HD3 LYS A 64 -3.709 -1.220 8.929 1.00 55.20 H new ATOM 0 HE2 LYS A 64 -2.606 0.775 9.622 1.00 41.30 H new ATOM 0 HE3 LYS A 64 -1.788 0.963 8.084 1.00 41.30 H new ATOM 0 HZ1 LYS A 64 -3.995 2.283 8.742 1.00 63.20 H new ATOM 0 HZ2 LYS A 64 -3.581 1.916 7.137 1.00 63.20 H new ATOM 0 HZ3 LYS A 64 -4.700 0.946 7.968 1.00 63.20 H new ATOM 879 N CYS A 65 2.181 -0.808 6.013 1.00 5.33 N ATOM 880 CA CYS A 65 3.004 -0.350 4.900 1.00 75.40 C ATOM 881 C CYS A 65 3.842 -1.493 4.335 1.00 25.50 C ATOM 882 O CYS A 65 4.151 -1.519 3.144 1.00 2.52 O ATOM 883 CB CYS A 65 3.917 0.793 5.350 1.00 50.20 C ATOM 884 SG CYS A 65 4.156 2.081 4.104 1.00 53.30 S ATOM 0 H CYS A 65 2.360 -0.329 6.896 1.00 5.33 H new ATOM 0 HA CYS A 65 2.340 0.012 4.115 1.00 75.40 H new ATOM 0 HB2 CYS A 65 3.499 1.245 6.249 1.00 50.20 H new ATOM 0 HB3 CYS A 65 4.889 0.382 5.623 1.00 50.20 H new ATOM 0 HG CYS A 65 4.356 3.223 4.693 1.00 53.30 H new ATOM 890 N THR A 66 4.206 -2.436 5.198 1.00 63.00 N ATOM 891 CA THR A 66 5.007 -3.582 4.785 1.00 61.20 C ATOM 892 C THR A 66 4.129 -4.667 4.171 1.00 64.40 C ATOM 893 O THR A 66 4.560 -5.399 3.280 1.00 72.00 O ATOM 894 CB THR A 66 5.778 -4.148 5.978 1.00 44.40 C ATOM 895 OG1 THR A 66 6.628 -5.206 5.569 1.00 53.20 O ATOM 896 CG2 THR A 66 4.880 -4.679 7.074 1.00 22.40 C ATOM 0 H THR A 66 3.959 -2.429 6.188 1.00 63.00 H new ATOM 0 HA THR A 66 5.717 -3.244 4.030 1.00 61.20 H new ATOM 0 HB THR A 66 6.352 -3.310 6.375 1.00 44.40 H new ATOM 0 HG1 THR A 66 7.114 -5.554 6.346 1.00 53.20 H new ATOM 0 HG21 THR A 66 5.491 -5.065 7.890 1.00 22.40 H new ATOM 0 HG22 THR A 66 4.245 -3.875 7.446 1.00 22.40 H new ATOM 0 HG23 THR A 66 4.256 -5.480 6.677 1.00 22.40 H new ATOM 904 N GLU A 67 2.894 -4.764 4.652 1.00 75.30 N ATOM 905 CA GLU A 67 1.954 -5.760 4.150 1.00 4.22 C ATOM 906 C GLU A 67 1.528 -5.435 2.722 1.00 73.20 C ATOM 907 O GLU A 67 1.536 -6.302 1.849 1.00 64.30 O ATOM 908 CB GLU A 67 0.724 -5.834 5.057 1.00 31.20 C ATOM 909 CG GLU A 67 -0.291 -6.879 4.622 1.00 43.30 C ATOM 910 CD GLU A 67 0.190 -8.296 4.866 1.00 55.20 C ATOM 911 OE1 GLU A 67 0.510 -8.622 6.028 1.00 32.40 O ATOM 912 OE2 GLU A 67 0.248 -9.079 3.895 1.00 0.15 O ATOM 0 H GLU A 67 2.521 -4.165 5.389 1.00 75.30 H new ATOM 0 HA GLU A 67 2.455 -6.728 4.149 1.00 4.22 H new ATOM 0 HB2 GLU A 67 1.046 -6.054 6.075 1.00 31.20 H new ATOM 0 HB3 GLU A 67 0.240 -4.857 5.080 1.00 31.20 H new ATOM 0 HG2 GLU A 67 -1.225 -6.719 5.160 1.00 43.30 H new ATOM 0 HG3 GLU A 67 -0.508 -6.750 3.562 1.00 43.30 H new ATOM 919 N TYR A 68 1.157 -4.179 2.492 1.00 34.20 N ATOM 920 CA TYR A 68 0.728 -3.739 1.170 1.00 43.20 C ATOM 921 C TYR A 68 1.885 -3.791 0.177 1.00 31.40 C ATOM 922 O TYR A 68 1.731 -4.269 -0.947 1.00 72.00 O ATOM 923 CB TYR A 68 0.165 -2.319 1.239 1.00 50.30 C ATOM 924 CG TYR A 68 -0.941 -2.154 2.257 1.00 24.10 C ATOM 925 CD1 TYR A 68 -1.949 -3.103 2.375 1.00 22.10 C ATOM 926 CD2 TYR A 68 -0.977 -1.051 3.100 1.00 42.20 C ATOM 927 CE1 TYR A 68 -2.962 -2.956 3.304 1.00 73.40 C ATOM 928 CE2 TYR A 68 -1.986 -0.897 4.032 1.00 1.41 C ATOM 929 CZ TYR A 68 -2.976 -1.852 4.130 1.00 1.25 C ATOM 930 OH TYR A 68 -3.982 -1.702 5.056 1.00 63.50 O ATOM 0 H TYR A 68 1.145 -3.449 3.204 1.00 34.20 H new ATOM 0 HA TYR A 68 -0.054 -4.416 0.826 1.00 43.20 H new ATOM 0 HB2 TYR A 68 0.973 -1.628 1.478 1.00 50.30 H new ATOM 0 HB3 TYR A 68 -0.213 -2.039 0.256 1.00 50.30 H new ATOM 0 HD1 TYR A 68 -1.941 -3.970 1.730 1.00 22.10 H new ATOM 0 HD2 TYR A 68 -0.204 -0.301 3.026 1.00 42.20 H new ATOM 0 HE1 TYR A 68 -3.739 -3.702 3.382 1.00 73.40 H new ATOM 0 HE2 TYR A 68 -1.999 -0.033 4.680 1.00 1.41 H new ATOM 0 HH TYR A 68 -3.973 -2.462 5.674 1.00 63.50 H new ATOM 940 N LEU A 69 3.044 -3.297 0.600 1.00 40.40 N ATOM 941 CA LEU A 69 4.227 -3.287 -0.251 1.00 21.50 C ATOM 942 C LEU A 69 4.614 -4.704 -0.663 1.00 52.10 C ATOM 943 O LEU A 69 4.976 -4.950 -1.814 1.00 41.30 O ATOM 944 CB LEU A 69 5.397 -2.618 0.473 1.00 72.30 C ATOM 945 CG LEU A 69 6.551 -2.177 -0.431 1.00 2.32 C ATOM 946 CD1 LEU A 69 6.426 -0.702 -0.776 1.00 72.30 C ATOM 947 CD2 LEU A 69 7.889 -2.459 0.235 1.00 21.30 C ATOM 0 H LEU A 69 3.189 -2.898 1.528 1.00 40.40 H new ATOM 0 HA LEU A 69 3.991 -2.718 -1.150 1.00 21.50 H new ATOM 0 HB2 LEU A 69 5.022 -1.746 1.009 1.00 72.30 H new ATOM 0 HB3 LEU A 69 5.785 -3.310 1.221 1.00 72.30 H new ATOM 0 HG LEU A 69 6.501 -2.751 -1.356 1.00 2.32 H new ATOM 0 HD11 LEU A 69 7.255 -0.407 -1.419 1.00 72.30 H new ATOM 0 HD12 LEU A 69 5.484 -0.529 -1.296 1.00 72.30 H new ATOM 0 HD13 LEU A 69 6.449 -0.111 0.140 1.00 72.30 H new ATOM 0 HD21 LEU A 69 8.697 -2.139 -0.422 1.00 21.30 H new ATOM 0 HD22 LEU A 69 7.949 -1.913 1.176 1.00 21.30 H new ATOM 0 HD23 LEU A 69 7.981 -3.528 0.429 1.00 21.30 H new ATOM 959 N ASP A 70 4.534 -5.633 0.284 1.00 12.20 N ATOM 960 CA ASP A 70 4.875 -7.026 0.020 1.00 3.22 C ATOM 961 C ASP A 70 3.987 -7.606 -1.076 1.00 3.22 C ATOM 962 O ASP A 70 4.472 -8.253 -2.004 1.00 63.20 O ATOM 963 CB ASP A 70 4.738 -7.857 1.297 1.00 75.50 C ATOM 964 CG ASP A 70 5.296 -9.258 1.137 1.00 70.20 C ATOM 965 OD1 ASP A 70 6.535 -9.410 1.171 1.00 12.20 O ATOM 966 OD2 ASP A 70 4.494 -10.200 0.980 1.00 52.30 O ATOM 0 H ASP A 70 4.236 -5.446 1.241 1.00 12.20 H new ATOM 0 HA ASP A 70 5.910 -7.062 -0.320 1.00 3.22 H new ATOM 0 HB2 ASP A 70 5.257 -7.353 2.113 1.00 75.50 H new ATOM 0 HB3 ASP A 70 3.686 -7.917 1.577 1.00 75.50 H new ATOM 971 N ARG A 71 2.684 -7.368 -0.963 1.00 15.10 N ATOM 972 CA ARG A 71 1.728 -7.867 -1.945 1.00 13.50 C ATOM 973 C ARG A 71 1.978 -7.242 -3.313 1.00 73.20 C ATOM 974 O ARG A 71 1.757 -7.875 -4.346 1.00 73.20 O ATOM 975 CB ARG A 71 0.298 -7.572 -1.490 1.00 51.10 C ATOM 976 CG ARG A 71 -0.267 -8.617 -0.541 1.00 24.00 C ATOM 977 CD ARG A 71 -0.507 -9.940 -1.249 1.00 54.00 C ATOM 978 NE ARG A 71 -1.899 -10.090 -1.666 1.00 74.40 N ATOM 979 CZ ARG A 71 -2.885 -10.440 -0.845 1.00 64.30 C ATOM 980 NH1 ARG A 71 -2.636 -10.680 0.437 1.00 2.52 N ATOM 981 NH2 ARG A 71 -4.122 -10.560 -1.306 1.00 40.20 N ATOM 0 H ARG A 71 2.266 -6.833 -0.202 1.00 15.10 H new ATOM 0 HA ARG A 71 1.860 -8.946 -2.029 1.00 13.50 H new ATOM 0 HB2 ARG A 71 0.275 -6.598 -1.000 1.00 51.10 H new ATOM 0 HB3 ARG A 71 -0.346 -7.503 -2.366 1.00 51.10 H new ATOM 0 HG2 ARG A 71 0.423 -8.767 0.289 1.00 24.00 H new ATOM 0 HG3 ARG A 71 -1.203 -8.256 -0.116 1.00 24.00 H new ATOM 0 HD2 ARG A 71 0.143 -10.008 -2.122 1.00 54.00 H new ATOM 0 HD3 ARG A 71 -0.236 -10.761 -0.585 1.00 54.00 H new ATOM 0 HE ARG A 71 -2.128 -9.916 -2.645 1.00 74.40 H new ATOM 0 HH11 ARG A 71 -1.685 -10.596 0.796 1.00 2.52 H new ATOM 0 HH12 ARG A 71 -3.396 -10.948 1.063 1.00 2.52 H new ATOM 0 HH21 ARG A 71 -4.318 -10.384 -2.291 1.00 40.20 H new ATOM 0 HH22 ARG A 71 -4.877 -10.829 -0.675 1.00 40.20 H new ATOM 995 N ALA A 72 2.440 -5.996 -3.314 1.00 13.10 N ATOM 996 CA ALA A 72 2.720 -5.285 -4.556 1.00 32.10 C ATOM 997 C ALA A 72 4.023 -5.768 -5.183 1.00 21.10 C ATOM 998 O ALA A 72 4.117 -5.927 -6.400 1.00 35.40 O ATOM 999 CB ALA A 72 2.776 -3.786 -4.304 1.00 31.30 C ATOM 0 H ALA A 72 2.628 -5.458 -2.468 1.00 13.10 H new ATOM 0 HA ALA A 72 1.912 -5.494 -5.257 1.00 32.10 H new ATOM 0 HB1 ALA A 72 2.986 -3.267 -5.239 1.00 31.30 H new ATOM 0 HB2 ALA A 72 1.818 -3.448 -3.908 1.00 31.30 H new ATOM 0 HB3 ALA A 72 3.564 -3.567 -3.583 1.00 31.30 H new ATOM 1005 N GLU A 73 5.027 -5.999 -4.344 1.00 75.30 N ATOM 1006 CA GLU A 73 6.326 -6.464 -4.816 1.00 11.40 C ATOM 1007 C GLU A 73 6.197 -7.801 -5.538 1.00 24.30 C ATOM 1008 O GLU A 73 6.888 -8.055 -6.525 1.00 62.10 O ATOM 1009 CB GLU A 73 7.301 -6.596 -3.644 1.00 13.30 C ATOM 1010 CG GLU A 73 7.809 -5.262 -3.122 1.00 74.20 C ATOM 1011 CD GLU A 73 8.444 -5.377 -1.750 1.00 63.40 C ATOM 1012 OE1 GLU A 73 7.906 -6.126 -0.908 1.00 72.10 O ATOM 1013 OE2 GLU A 73 9.479 -4.718 -1.518 1.00 23.20 O ATOM 0 H GLU A 73 4.966 -5.872 -3.334 1.00 75.30 H new ATOM 0 HA GLU A 73 6.713 -5.728 -5.520 1.00 11.40 H new ATOM 0 HB2 GLU A 73 6.809 -7.131 -2.832 1.00 13.30 H new ATOM 0 HB3 GLU A 73 8.151 -7.202 -3.956 1.00 13.30 H new ATOM 0 HG2 GLU A 73 8.538 -4.856 -3.823 1.00 74.20 H new ATOM 0 HG3 GLU A 73 6.981 -4.554 -3.077 1.00 74.20 H new ATOM 1020 N LYS A 74 5.308 -8.654 -5.039 1.00 42.40 N ATOM 1021 CA LYS A 74 5.088 -9.966 -5.637 1.00 12.40 C ATOM 1022 C LYS A 74 4.281 -9.848 -6.926 1.00 72.30 C ATOM 1023 O LYS A 74 4.546 -10.550 -7.902 1.00 51.20 O ATOM 1024 CB LYS A 74 4.364 -10.880 -4.650 1.00 32.10 C ATOM 1025 CG LYS A 74 5.287 -11.520 -3.628 1.00 0.44 C ATOM 1026 CD LYS A 74 6.225 -12.530 -4.278 1.00 20.20 C ATOM 1027 CE LYS A 74 7.610 -12.480 -3.655 1.00 52.30 C ATOM 1028 NZ LYS A 74 8.337 -13.770 -3.815 1.00 72.20 N ATOM 0 H LYS A 74 4.728 -8.460 -4.222 1.00 42.40 H new ATOM 0 HA LYS A 74 6.060 -10.398 -5.878 1.00 12.40 H new ATOM 0 HB2 LYS A 74 3.600 -10.305 -4.128 1.00 32.10 H new ATOM 0 HB3 LYS A 74 3.849 -11.665 -5.204 1.00 32.10 H new ATOM 0 HG2 LYS A 74 5.872 -10.747 -3.130 1.00 0.44 H new ATOM 0 HG3 LYS A 74 4.693 -12.015 -2.860 1.00 0.44 H new ATOM 0 HD2 LYS A 74 5.812 -13.533 -4.172 1.00 20.20 H new ATOM 0 HD3 LYS A 74 6.297 -12.327 -5.346 1.00 20.20 H new ATOM 0 HE2 LYS A 74 8.187 -11.678 -4.116 1.00 52.30 H new ATOM 0 HE3 LYS A 74 7.523 -12.241 -2.595 1.00 52.30 H new ATOM 0 HZ1 LYS A 74 9.277 -13.695 -3.377 1.00 72.20 H new ATOM 0 HZ2 LYS A 74 7.799 -14.531 -3.353 1.00 72.20 H new ATOM 0 HZ3 LYS A 74 8.443 -13.986 -4.827 1.00 72.20 H new ATOM 1042 N LEU A 75 3.297 -8.956 -6.922 1.00 23.00 N ATOM 1043 CA LEU A 75 2.452 -8.747 -8.092 1.00 43.20 C ATOM 1044 C LEU A 75 3.274 -8.240 -9.273 1.00 4.44 C ATOM 1045 O LEU A 75 3.217 -8.800 -10.360 1.00 13.40 O ATOM 1046 CB LEU A 75 1.332 -7.755 -7.768 1.00 44.20 C ATOM 1047 CG LEU A 75 0.000 -8.390 -7.367 1.00 10.10 C ATOM 1048 CD1 LEU A 75 0.170 -9.244 -6.119 1.00 70.30 C ATOM 1049 CD2 LEU A 75 -1.054 -7.317 -7.141 1.00 3.12 C ATOM 0 H LEU A 75 3.065 -8.367 -6.123 1.00 23.00 H new ATOM 0 HA LEU A 75 2.010 -9.705 -8.366 1.00 43.20 H new ATOM 0 HB2 LEU A 75 1.666 -7.106 -6.959 1.00 44.20 H new ATOM 0 HB3 LEU A 75 1.167 -7.120 -8.638 1.00 44.20 H new ATOM 0 HG LEU A 75 -0.334 -9.034 -8.180 1.00 10.10 H new ATOM 0 HD11 LEU A 75 -0.788 -9.688 -5.849 1.00 70.30 H new ATOM 0 HD12 LEU A 75 0.894 -10.035 -6.315 1.00 70.30 H new ATOM 0 HD13 LEU A 75 0.526 -8.622 -5.298 1.00 70.30 H new ATOM 0 HD21 LEU A 75 -1.996 -7.786 -6.856 1.00 3.12 H new ATOM 0 HD22 LEU A 75 -0.727 -6.648 -6.345 1.00 3.12 H new ATOM 0 HD23 LEU A 75 -1.196 -6.747 -8.059 1.00 3.12 H new ATOM 1061 N LYS A 76 4.039 -7.179 -9.042 1.00 73.20 N ATOM 1062 CA LYS A 76 4.875 -6.598 -10.080 1.00 53.40 C ATOM 1063 C LYS A 76 5.965 -7.574 -10.510 1.00 35.40 C ATOM 1064 O LYS A 76 6.432 -7.537 -11.650 1.00 1.24 O ATOM 1065 CB LYS A 76 5.506 -5.293 -9.596 1.00 24.50 C ATOM 1066 CG LYS A 76 6.462 -5.480 -8.430 1.00 3.01 C ATOM 1067 CD LYS A 76 6.895 -4.145 -7.845 1.00 13.00 C ATOM 1068 CE LYS A 76 5.828 -3.566 -6.930 1.00 74.20 C ATOM 1069 NZ LYS A 76 5.768 -2.081 -7.016 1.00 15.00 N ATOM 0 H LYS A 76 4.096 -6.704 -8.141 1.00 73.20 H new ATOM 0 HA LYS A 76 4.240 -6.385 -10.940 1.00 53.40 H new ATOM 0 HB2 LYS A 76 6.041 -4.828 -10.424 1.00 24.50 H new ATOM 0 HB3 LYS A 76 4.715 -4.604 -9.301 1.00 24.50 H new ATOM 0 HG2 LYS A 76 5.981 -6.079 -7.656 1.00 3.01 H new ATOM 0 HG3 LYS A 76 7.339 -6.034 -8.763 1.00 3.01 H new ATOM 0 HD2 LYS A 76 7.823 -4.274 -7.288 1.00 13.00 H new ATOM 0 HD3 LYS A 76 7.104 -3.443 -8.652 1.00 13.00 H new ATOM 0 HE2 LYS A 76 4.857 -3.984 -7.195 1.00 74.20 H new ATOM 0 HE3 LYS A 76 6.033 -3.862 -5.901 1.00 74.20 H new ATOM 0 HZ1 LYS A 76 5.454 -1.693 -6.104 1.00 15.00 H new ATOM 0 HZ2 LYS A 76 6.711 -1.708 -7.245 1.00 15.00 H new ATOM 0 HZ3 LYS A 76 5.096 -1.803 -7.760 1.00 15.00 H new ATOM 1083 N GLU A 77 6.368 -8.447 -9.596 1.00 61.50 N ATOM 1084 CA GLU A 77 7.404 -9.433 -9.880 1.00 14.40 C ATOM 1085 C GLU A 77 7.005 -10.320 -11.040 1.00 55.30 C ATOM 1086 O GLU A 77 7.771 -10.500 -11.990 1.00 43.10 O ATOM 1087 CB GLU A 77 7.678 -10.280 -8.640 1.00 60.10 C ATOM 1088 CG GLU A 77 8.774 -9.727 -7.747 1.00 11.00 C ATOM 1089 CD GLU A 77 10.163 -10.090 -8.231 1.00 43.50 C ATOM 1090 OE1 GLU A 77 10.447 -9.889 -9.430 1.00 3.14 O ATOM 1091 OE2 GLU A 77 10.968 -10.580 -7.411 1.00 13.20 O ATOM 0 H GLU A 77 5.992 -8.493 -8.649 1.00 61.50 H new ATOM 0 HA GLU A 77 8.314 -8.901 -10.156 1.00 14.40 H new ATOM 0 HB2 GLU A 77 6.759 -10.365 -8.060 1.00 60.10 H new ATOM 0 HB3 GLU A 77 7.952 -11.287 -8.953 1.00 60.10 H new ATOM 0 HG2 GLU A 77 8.683 -8.642 -7.697 1.00 11.00 H new ATOM 0 HG3 GLU A 77 8.637 -10.105 -6.734 1.00 11.00 H new ATOM 1098 N TYR A 78 5.802 -10.890 -10.970 1.00 71.30 N ATOM 1099 CA TYR A 78 5.308 -11.760 -12.030 1.00 61.30 C ATOM 1100 C TYR A 78 4.673 -10.950 -13.160 1.00 3.43 C ATOM 1101 O TYR A 78 4.803 -11.300 -14.330 1.00 11.10 O ATOM 1102 CB TYR A 78 4.305 -12.770 -11.460 1.00 51.10 C ATOM 1103 CG TYR A 78 2.891 -12.250 -11.320 1.00 74.40 C ATOM 1104 CD1 TYR A 78 2.053 -12.160 -12.430 1.00 24.20 C ATOM 1105 CD2 TYR A 78 2.394 -11.840 -10.090 1.00 32.10 C ATOM 1106 CE1 TYR A 78 0.762 -11.680 -12.310 1.00 3.42 C ATOM 1107 CE2 TYR A 78 1.103 -11.360 -9.966 1.00 25.50 C ATOM 1108 CZ TYR A 78 0.292 -11.280 -11.070 1.00 23.30 C ATOM 1109 OH TYR A 78 -0.993 -10.810 -10.950 1.00 30.10 O ATOM 0 H TYR A 78 5.155 -10.764 -10.191 1.00 71.30 H new ATOM 0 HA TYR A 78 6.156 -12.303 -12.447 1.00 61.30 H new ATOM 0 HB2 TYR A 78 4.292 -13.650 -12.103 1.00 51.10 H new ATOM 0 HB3 TYR A 78 4.656 -13.096 -10.481 1.00 51.10 H new ATOM 0 HD1 TYR A 78 2.418 -12.470 -13.398 1.00 24.20 H new ATOM 0 HD2 TYR A 78 3.026 -11.897 -9.216 1.00 32.10 H new ATOM 0 HE1 TYR A 78 0.123 -11.617 -13.179 1.00 3.42 H new ATOM 0 HE2 TYR A 78 0.733 -11.048 -9.000 1.00 25.50 H new ATOM 0 HH TYR A 78 -1.412 -11.202 -10.155 1.00 30.10 H new ATOM 1119 N LEU A 79 3.985 -9.881 -12.790 1.00 1.34 N ATOM 1120 CA LEU A 79 3.330 -9.025 -13.780 1.00 1.24 C ATOM 1121 C LEU A 79 4.346 -8.441 -14.750 1.00 70.40 C ATOM 1122 O LEU A 79 4.107 -8.398 -15.960 1.00 14.40 O ATOM 1123 CB LEU A 79 2.573 -7.896 -13.070 1.00 11.00 C ATOM 1124 CG LEU A 79 1.182 -8.269 -12.560 1.00 22.40 C ATOM 1125 CD1 LEU A 79 0.678 -7.228 -11.570 1.00 35.30 C ATOM 1126 CD2 LEU A 79 0.210 -8.420 -13.720 1.00 64.40 C ATOM 0 H LEU A 79 3.863 -9.583 -11.822 1.00 1.34 H new ATOM 0 HA LEU A 79 2.625 -9.632 -14.349 1.00 1.24 H new ATOM 0 HB2 LEU A 79 3.172 -7.552 -12.227 1.00 11.00 H new ATOM 0 HB3 LEU A 79 2.478 -7.055 -13.757 1.00 11.00 H new ATOM 0 HG LEU A 79 1.251 -9.227 -12.044 1.00 22.40 H new ATOM 0 HD11 LEU A 79 -0.314 -7.511 -11.218 1.00 35.30 H new ATOM 0 HD12 LEU A 79 1.361 -7.171 -10.723 1.00 35.30 H new ATOM 0 HD13 LEU A 79 0.625 -6.256 -12.060 1.00 35.30 H new ATOM 0 HD21 LEU A 79 -0.775 -8.686 -13.337 1.00 64.40 H new ATOM 0 HD22 LEU A 79 0.145 -7.479 -14.265 1.00 64.40 H new ATOM 0 HD23 LEU A 79 0.562 -9.204 -14.390 1.00 64.40 H new ATOM 1138 N LYS A 80 5.479 -7.994 -14.220 1.00 43.10 N ATOM 1139 CA LYS A 80 6.531 -7.413 -15.050 1.00 22.50 C ATOM 1140 C LYS A 80 7.365 -8.502 -15.710 1.00 50.20 C ATOM 1141 O LYS A 80 7.868 -8.323 -16.820 1.00 63.20 O ATOM 1142 CB LYS A 80 7.432 -6.510 -14.200 1.00 4.04 C ATOM 1143 CG LYS A 80 7.977 -5.312 -14.960 1.00 61.20 C ATOM 1144 CD LYS A 80 7.133 -4.070 -14.720 1.00 0.44 C ATOM 1145 CE LYS A 80 7.010 -3.230 -15.990 1.00 71.20 C ATOM 1146 NZ LYS A 80 5.721 -2.486 -16.030 1.00 42.10 N ATOM 0 H LYS A 80 5.693 -8.022 -13.223 1.00 43.10 H new ATOM 0 HA LYS A 80 6.060 -6.818 -15.832 1.00 22.50 H new ATOM 0 HB2 LYS A 80 6.869 -6.157 -13.336 1.00 4.04 H new ATOM 0 HB3 LYS A 80 8.266 -7.098 -13.818 1.00 4.04 H new ATOM 0 HG2 LYS A 80 9.005 -5.120 -14.651 1.00 61.20 H new ATOM 0 HG3 LYS A 80 8.001 -5.536 -16.026 1.00 61.20 H new ATOM 0 HD2 LYS A 80 6.141 -4.363 -14.377 1.00 0.44 H new ATOM 0 HD3 LYS A 80 7.581 -3.471 -13.927 1.00 0.44 H new ATOM 0 HE2 LYS A 80 7.840 -2.525 -16.043 1.00 71.20 H new ATOM 0 HE3 LYS A 80 7.085 -3.877 -16.864 1.00 71.20 H new ATOM 0 HZ1 LYS A 80 5.670 -1.926 -16.905 1.00 42.10 H new ATOM 0 HZ2 LYS A 80 4.930 -3.161 -16.004 1.00 42.10 H new ATOM 0 HZ3 LYS A 80 5.661 -1.851 -15.209 1.00 42.10 H new ATOM 1160 N ASN A 81 7.509 -9.632 -15.030 1.00 4.14 N ATOM 1161 CA ASN A 81 8.282 -10.750 -15.550 1.00 14.20 C ATOM 1162 C ASN A 81 7.625 -11.320 -16.800 1.00 50.40 C ATOM 1163 O ASN A 81 8.292 -11.590 -17.800 1.00 33.40 O ATOM 1164 CB ASN A 81 8.428 -11.840 -14.490 1.00 35.10 C ATOM 1165 CG ASN A 81 9.672 -11.660 -13.640 1.00 32.30 C ATOM 1166 OD1 ASN A 81 10.615 -10.970 -14.040 1.00 12.40 O ATOM 1167 ND2 ASN A 81 9.680 -12.270 -12.470 1.00 42.40 N ATOM 0 H ASN A 81 7.097 -9.798 -14.112 1.00 4.14 H new ATOM 0 HA ASN A 81 9.274 -10.384 -15.814 1.00 14.20 H new ATOM 0 HB2 ASN A 81 7.548 -11.837 -13.846 1.00 35.10 H new ATOM 0 HB3 ASN A 81 8.463 -12.814 -14.978 1.00 35.10 H new ATOM 0 HD21 ASN A 81 10.488 -12.182 -11.854 1.00 42.40 H new ATOM 0 HD22 ASN A 81 8.878 -12.830 -12.181 1.00 42.40 H new TER 1174 ASN A 81