USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 816 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: B 47 TYR OH : rot 176:sc= -1.87! USER MOD Set 1.2: B 54 GLN : amide:sc= -1.14 K(o=-3,f=-5.6!) USER MOD Set 2.1: B 31 SER OG : rot 75:sc= 1.31 USER MOD Set 2.2: B 34 THR OG1 : rot -170:sc= 1.22 USER MOD Set 3.1: B 21 SER OG : rot 180:sc= 0 USER MOD Set 3.2: B 25 ASN : amide:sc= 0.883 K(o=0.88,f=0) USER MOD Set 4.1: B 16 SER OG : rot -37:sc= 1.16 USER MOD Set 4.2: B 19 THR OG1 : rot -140:sc= 1.08 USER MOD Set 5.1: A 31 SER OG : rot 12:sc= 1.12 USER MOD Set 5.2: A 34 THR OG1 : rot 33:sc= 1.45 USER MOD Set 6.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 25 ASN : amide:sc= 1.12 K(o=1.1,f=0.59) USER MOD Set 7.1: A 16 SER OG : rot 180:sc= 1.01 USER MOD Set 7.2: A 19 THR OG1 : rot 63:sc= 1.2 USER MOD Single : A 5 THR OG1 : rot -66:sc= 0.64 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0463 X(o=-0.046,f=-0.44) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.81 K(o=-0.81,f=-0.18) USER MOD Single : A 33 LYS NZ :NH3+ -164:sc= -0.0649 (180deg=-0.338) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 162:sc= -1.64 (180deg=-1.88) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.306 X(o=-0.31,f=0) USER MOD Single : B 5 THR OG1 : rot -87:sc= 0.743 USER MOD Single : B 7 TYR OH : rot -79:sc= 0.906 USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= -1.44! K(o=-1.4!,f=-0.28) USER MOD Single : B 29 HIS : no HD1:sc= -0.918 K(o=-0.92,f=-0.22) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 MET CE :methyl -126:sc= -0.105 (180deg=-3.15!) USER MOD Single : B 46 ASN : amide:sc= -0.0516 X(o=-0.052,f=-0.058) USER MOD Single : B 50 ASN : amide:sc= -1.73! X(o=-1.7!,f=-2.2) USER MOD Single : B 55 GLN : amide:sc= -0.338 X(o=-0.34,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 42 N PRO A 3 4.292 -8.852 11.207 1.00 0.87 N ATOM 43 CA PRO A 3 5.599 -9.360 10.793 1.00 0.67 C ATOM 44 C PRO A 3 6.631 -8.236 10.747 1.00 0.57 C ATOM 45 O PRO A 3 6.292 -7.083 10.467 1.00 0.62 O ATOM 46 CB PRO A 3 5.335 -9.912 9.390 1.00 0.89 C ATOM 47 CG PRO A 3 4.179 -9.119 8.882 1.00 1.30 C ATOM 48 CD PRO A 3 3.338 -8.782 10.084 1.00 1.15 C ATOM 0 HA PRO A 3 6.002 -10.106 11.478 1.00 0.67 H new ATOM 0 HB2 PRO A 3 6.208 -9.795 8.748 1.00 0.89 H new ATOM 0 HB3 PRO A 3 5.102 -10.976 9.421 1.00 0.89 H new ATOM 0 HG2 PRO A 3 4.519 -8.214 8.379 1.00 1.30 H new ATOM 0 HG3 PRO A 3 3.605 -9.691 8.154 1.00 1.30 H new ATOM 0 HD2 PRO A 3 2.894 -7.790 9.997 1.00 1.15 H new ATOM 0 HD3 PRO A 3 2.518 -9.489 10.210 1.00 1.15 H new ATOM 56 N VAL A 4 7.882 -8.558 11.040 1.00 0.48 N ATOM 57 CA VAL A 4 8.930 -7.556 11.017 1.00 0.41 C ATOM 58 C VAL A 4 9.137 -7.085 9.587 1.00 0.36 C ATOM 59 O VAL A 4 9.272 -7.895 8.672 1.00 0.37 O ATOM 60 CB VAL A 4 10.250 -8.084 11.615 1.00 0.42 C ATOM 61 CG1 VAL A 4 11.380 -7.083 11.421 1.00 0.39 C ATOM 62 CG2 VAL A 4 10.059 -8.387 13.092 1.00 0.54 C ATOM 0 H VAL A 4 8.192 -9.496 11.294 1.00 0.48 H new ATOM 0 HA VAL A 4 8.618 -6.718 11.640 1.00 0.41 H new ATOM 0 HB VAL A 4 10.524 -9.000 11.092 1.00 0.42 H new ATOM 0 HG11 VAL A 4 12.298 -7.482 11.852 1.00 0.39 H new ATOM 0 HG12 VAL A 4 11.528 -6.903 10.356 1.00 0.39 H new ATOM 0 HG13 VAL A 4 11.125 -6.146 11.915 1.00 0.39 H new ATOM 0 HG21 VAL A 4 10.994 -8.760 13.511 1.00 0.54 H new ATOM 0 HG22 VAL A 4 9.764 -7.477 13.615 1.00 0.54 H new ATOM 0 HG23 VAL A 4 9.282 -9.142 13.211 1.00 0.54 H new ATOM 72 N THR A 5 9.135 -5.779 9.408 1.00 0.33 N ATOM 73 CA THR A 5 9.283 -5.179 8.097 1.00 0.31 C ATOM 74 C THR A 5 10.713 -4.699 7.900 1.00 0.26 C ATOM 75 O THR A 5 11.509 -4.704 8.842 1.00 0.26 O ATOM 76 CB THR A 5 8.292 -3.998 7.944 1.00 0.36 C ATOM 77 OG1 THR A 5 8.894 -2.783 8.419 1.00 0.37 O ATOM 78 CG2 THR A 5 7.024 -4.263 8.747 1.00 0.41 C ATOM 0 H THR A 5 9.031 -5.105 10.166 1.00 0.33 H new ATOM 0 HA THR A 5 9.060 -5.926 7.336 1.00 0.31 H new ATOM 0 HB THR A 5 8.042 -3.898 6.888 1.00 0.36 H new ATOM 0 HG1 THR A 5 9.041 -2.847 9.386 1.00 0.37 H new ATOM 0 HG21 THR A 5 6.337 -3.425 8.630 1.00 0.41 H new ATOM 0 HG22 THR A 5 6.548 -5.175 8.386 1.00 0.41 H new ATOM 0 HG23 THR A 5 7.278 -4.379 9.801 1.00 0.41 H new ATOM 86 N LEU A 6 11.047 -4.290 6.684 1.00 0.24 N ATOM 87 CA LEU A 6 12.388 -3.800 6.401 1.00 0.20 C ATOM 88 C LEU A 6 12.650 -2.490 7.148 1.00 0.21 C ATOM 89 O LEU A 6 13.793 -2.071 7.306 1.00 0.20 O ATOM 90 CB LEU A 6 12.604 -3.645 4.888 1.00 0.21 C ATOM 91 CG LEU A 6 12.120 -2.336 4.243 1.00 0.25 C ATOM 92 CD1 LEU A 6 12.477 -2.317 2.762 1.00 0.29 C ATOM 93 CD2 LEU A 6 10.618 -2.157 4.408 1.00 0.29 C ATOM 0 H LEU A 6 10.414 -4.287 5.884 1.00 0.24 H new ATOM 0 HA LEU A 6 13.110 -4.534 6.759 1.00 0.20 H new ATOM 0 HB2 LEU A 6 13.670 -3.748 4.686 1.00 0.21 H new ATOM 0 HB3 LEU A 6 12.103 -4.474 4.388 1.00 0.21 H new ATOM 0 HG LEU A 6 12.621 -1.512 4.751 1.00 0.25 H new ATOM 0 HD11 LEU A 6 12.129 -1.385 2.316 1.00 0.29 H new ATOM 0 HD12 LEU A 6 13.558 -2.393 2.647 1.00 0.29 H new ATOM 0 HD13 LEU A 6 11.999 -3.159 2.262 1.00 0.29 H new ATOM 0 HD21 LEU A 6 10.310 -1.222 3.941 1.00 0.29 H new ATOM 0 HD22 LEU A 6 10.098 -2.989 3.933 1.00 0.29 H new ATOM 0 HD23 LEU A 6 10.369 -2.132 5.469 1.00 0.29 H new ATOM 105 N TYR A 7 11.580 -1.870 7.634 1.00 0.25 N ATOM 106 CA TYR A 7 11.688 -0.628 8.384 1.00 0.28 C ATOM 107 C TYR A 7 12.164 -0.914 9.798 1.00 0.28 C ATOM 108 O TYR A 7 12.906 -0.130 10.393 1.00 0.30 O ATOM 109 CB TYR A 7 10.337 0.092 8.449 1.00 0.34 C ATOM 110 CG TYR A 7 9.839 0.606 7.119 1.00 0.36 C ATOM 111 CD1 TYR A 7 10.573 1.531 6.392 1.00 0.38 C ATOM 112 CD2 TYR A 7 8.622 0.177 6.602 1.00 0.41 C ATOM 113 CE1 TYR A 7 10.110 2.013 5.184 1.00 0.43 C ATOM 114 CE2 TYR A 7 8.152 0.657 5.397 1.00 0.44 C ATOM 115 CZ TYR A 7 8.899 1.575 4.693 1.00 0.44 C ATOM 116 OH TYR A 7 8.432 2.063 3.496 1.00 0.49 O ATOM 0 H TYR A 7 10.625 -2.211 7.520 1.00 0.25 H new ATOM 0 HA TYR A 7 12.407 0.012 7.872 1.00 0.28 H new ATOM 0 HB2 TYR A 7 9.595 -0.591 8.862 1.00 0.34 H new ATOM 0 HB3 TYR A 7 10.419 0.930 9.141 1.00 0.34 H new ATOM 0 HD1 TYR A 7 11.520 1.879 6.776 1.00 0.38 H new ATOM 0 HD2 TYR A 7 8.035 -0.543 7.152 1.00 0.41 H new ATOM 0 HE1 TYR A 7 10.694 2.730 4.626 1.00 0.43 H new ATOM 0 HE2 TYR A 7 7.204 0.315 5.008 1.00 0.44 H new ATOM 0 HH TYR A 7 7.566 1.653 3.291 1.00 0.49 H new ATOM 126 N ASP A 8 11.732 -2.051 10.329 1.00 0.28 N ATOM 127 CA ASP A 8 12.103 -2.445 11.682 1.00 0.29 C ATOM 128 C ASP A 8 13.557 -2.878 11.706 1.00 0.24 C ATOM 129 O ASP A 8 14.289 -2.596 12.652 1.00 0.25 O ATOM 130 CB ASP A 8 11.198 -3.573 12.187 1.00 0.35 C ATOM 131 CG ASP A 8 9.725 -3.205 12.131 1.00 0.93 C ATOM 132 OD1 ASP A 8 9.249 -2.491 13.041 1.00 1.75 O ATOM 133 OD2 ASP A 8 9.042 -3.614 11.167 1.00 1.51 O ATOM 0 H ASP A 8 11.127 -2.714 9.845 1.00 0.28 H new ATOM 0 HA ASP A 8 11.975 -1.590 12.346 1.00 0.29 H new ATOM 0 HB2 ASP A 8 11.369 -4.468 11.588 1.00 0.35 H new ATOM 0 HB3 ASP A 8 11.469 -3.820 13.213 1.00 0.35 H new ATOM 138 N VAL A 9 13.972 -3.538 10.634 1.00 0.21 N ATOM 139 CA VAL A 9 15.341 -4.008 10.502 1.00 0.19 C ATOM 140 C VAL A 9 16.280 -2.827 10.349 1.00 0.18 C ATOM 141 O VAL A 9 17.333 -2.757 10.987 1.00 0.20 O ATOM 142 CB VAL A 9 15.491 -4.929 9.279 1.00 0.19 C ATOM 143 CG1 VAL A 9 16.887 -5.516 9.209 1.00 0.20 C ATOM 144 CG2 VAL A 9 14.453 -6.032 9.316 1.00 0.22 C ATOM 0 H VAL A 9 13.374 -3.761 9.838 1.00 0.21 H new ATOM 0 HA VAL A 9 15.593 -4.570 11.401 1.00 0.19 H new ATOM 0 HB VAL A 9 15.331 -4.330 8.382 1.00 0.19 H new ATOM 0 HG11 VAL A 9 16.966 -6.163 8.335 1.00 0.20 H new ATOM 0 HG12 VAL A 9 17.617 -4.710 9.131 1.00 0.20 H new ATOM 0 HG13 VAL A 9 17.083 -6.097 10.110 1.00 0.20 H new ATOM 0 HG21 VAL A 9 14.573 -6.674 8.444 1.00 0.22 H new ATOM 0 HG22 VAL A 9 14.582 -6.623 10.223 1.00 0.22 H new ATOM 0 HG23 VAL A 9 13.455 -5.593 9.309 1.00 0.22 H new ATOM 154 N ALA A 10 15.871 -1.892 9.506 1.00 0.19 N ATOM 155 CA ALA A 10 16.647 -0.691 9.248 1.00 0.22 C ATOM 156 C ALA A 10 16.828 0.117 10.520 1.00 0.26 C ATOM 157 O ALA A 10 17.917 0.600 10.810 1.00 0.30 O ATOM 158 CB ALA A 10 15.965 0.149 8.184 1.00 0.26 C ATOM 0 H ALA A 10 14.996 -1.944 8.984 1.00 0.19 H new ATOM 0 HA ALA A 10 17.633 -0.987 8.889 1.00 0.22 H new ATOM 0 HB1 ALA A 10 16.554 1.047 7.997 1.00 0.26 H new ATOM 0 HB2 ALA A 10 15.881 -0.428 7.263 1.00 0.26 H new ATOM 0 HB3 ALA A 10 14.970 0.432 8.527 1.00 0.26 H new ATOM 164 N GLU A 11 15.759 0.227 11.290 1.00 0.29 N ATOM 165 CA GLU A 11 15.783 0.980 12.535 1.00 0.35 C ATOM 166 C GLU A 11 16.698 0.326 13.565 1.00 0.37 C ATOM 167 O GLU A 11 17.461 1.010 14.248 1.00 0.46 O ATOM 168 CB GLU A 11 14.367 1.098 13.101 1.00 0.37 C ATOM 169 CG GLU A 11 14.244 2.089 14.244 1.00 0.94 C ATOM 170 CD GLU A 11 14.595 3.503 13.829 1.00 1.51 C ATOM 171 OE1 GLU A 11 13.918 4.055 12.938 1.00 2.21 O ATOM 172 OE2 GLU A 11 15.556 4.069 14.391 1.00 2.14 O ATOM 0 H GLU A 11 14.857 -0.198 11.074 1.00 0.29 H new ATOM 0 HA GLU A 11 16.174 1.974 12.318 1.00 0.35 H new ATOM 0 HB2 GLU A 11 13.690 1.395 12.300 1.00 0.37 H new ATOM 0 HB3 GLU A 11 14.041 0.117 13.447 1.00 0.37 H new ATOM 0 HG2 GLU A 11 13.224 2.070 14.629 1.00 0.94 H new ATOM 0 HG3 GLU A 11 14.898 1.781 15.059 1.00 0.94 H new ATOM 179 N TYR A 12 16.634 -0.995 13.656 1.00 0.32 N ATOM 180 CA TYR A 12 17.443 -1.732 14.619 1.00 0.38 C ATOM 181 C TYR A 12 18.921 -1.731 14.237 1.00 0.38 C ATOM 182 O TYR A 12 19.792 -1.688 15.108 1.00 0.45 O ATOM 183 CB TYR A 12 16.941 -3.171 14.742 1.00 0.39 C ATOM 184 CG TYR A 12 17.558 -3.932 15.892 1.00 0.47 C ATOM 185 CD1 TYR A 12 17.024 -3.849 17.169 1.00 1.10 C ATOM 186 CD2 TYR A 12 18.679 -4.726 15.700 1.00 1.38 C ATOM 187 CE1 TYR A 12 17.590 -4.538 18.223 1.00 1.07 C ATOM 188 CE2 TYR A 12 19.252 -5.420 16.746 1.00 1.49 C ATOM 189 CZ TYR A 12 18.705 -5.321 18.007 1.00 0.69 C ATOM 190 OH TYR A 12 19.277 -6.006 19.056 1.00 0.82 O ATOM 0 H TYR A 12 16.031 -1.579 13.076 1.00 0.32 H new ATOM 0 HA TYR A 12 17.345 -1.228 15.581 1.00 0.38 H new ATOM 0 HB2 TYR A 12 15.858 -3.160 14.865 1.00 0.39 H new ATOM 0 HB3 TYR A 12 17.151 -3.701 13.813 1.00 0.39 H new ATOM 0 HD1 TYR A 12 16.152 -3.236 17.342 1.00 1.10 H new ATOM 0 HD2 TYR A 12 19.111 -4.802 14.713 1.00 1.38 H new ATOM 0 HE1 TYR A 12 17.162 -4.464 19.212 1.00 1.07 H new ATOM 0 HE2 TYR A 12 20.123 -6.036 16.578 1.00 1.49 H new ATOM 0 HH TYR A 12 20.053 -6.510 18.733 1.00 0.82 H new ATOM 200 N ALA A 13 19.208 -1.773 12.941 1.00 0.33 N ATOM 201 CA ALA A 13 20.587 -1.790 12.474 1.00 0.36 C ATOM 202 C ALA A 13 21.160 -0.379 12.381 1.00 0.39 C ATOM 203 O ALA A 13 22.377 -0.188 12.389 1.00 0.46 O ATOM 204 CB ALA A 13 20.677 -2.491 11.129 1.00 0.33 C ATOM 0 H ALA A 13 18.508 -1.796 12.200 1.00 0.33 H new ATOM 0 HA ALA A 13 21.182 -2.342 13.201 1.00 0.36 H new ATOM 0 HB1 ALA A 13 21.713 -2.497 10.791 1.00 0.33 H new ATOM 0 HB2 ALA A 13 20.322 -3.517 11.229 1.00 0.33 H new ATOM 0 HB3 ALA A 13 20.061 -1.963 10.401 1.00 0.33 H new ATOM 210 N GLY A 14 20.274 0.603 12.312 1.00 0.38 N ATOM 211 CA GLY A 14 20.696 1.985 12.203 1.00 0.43 C ATOM 212 C GLY A 14 20.993 2.348 10.768 1.00 0.43 C ATOM 213 O GLY A 14 21.932 3.087 10.480 1.00 0.52 O ATOM 0 H GLY A 14 19.263 0.466 12.330 1.00 0.38 H new ATOM 0 HA2 GLY A 14 19.916 2.639 12.593 1.00 0.43 H new ATOM 0 HA3 GLY A 14 21.584 2.147 12.814 1.00 0.43 H new ATOM 217 N VAL A 15 20.189 1.804 9.870 1.00 0.35 N ATOM 218 CA VAL A 15 20.341 2.032 8.447 1.00 0.35 C ATOM 219 C VAL A 15 19.006 2.440 7.848 1.00 0.34 C ATOM 220 O VAL A 15 18.078 2.797 8.572 1.00 0.36 O ATOM 221 CB VAL A 15 20.840 0.759 7.728 1.00 0.33 C ATOM 222 CG1 VAL A 15 22.246 0.407 8.171 1.00 0.36 C ATOM 223 CG2 VAL A 15 19.903 -0.413 7.986 1.00 0.28 C ATOM 0 H VAL A 15 19.411 1.190 10.110 1.00 0.35 H new ATOM 0 HA VAL A 15 21.076 2.825 8.311 1.00 0.35 H new ATOM 0 HB VAL A 15 20.852 0.964 6.658 1.00 0.33 H new ATOM 0 HG11 VAL A 15 22.577 -0.493 7.652 1.00 0.36 H new ATOM 0 HG12 VAL A 15 22.919 1.231 7.934 1.00 0.36 H new ATOM 0 HG13 VAL A 15 22.255 0.229 9.246 1.00 0.36 H new ATOM 0 HG21 VAL A 15 20.276 -1.297 7.469 1.00 0.28 H new ATOM 0 HG22 VAL A 15 19.855 -0.612 9.057 1.00 0.28 H new ATOM 0 HG23 VAL A 15 18.907 -0.170 7.617 1.00 0.28 H new ATOM 233 N SER A 16 18.915 2.397 6.534 1.00 0.35 N ATOM 234 CA SER A 16 17.683 2.730 5.852 1.00 0.35 C ATOM 235 C SER A 16 17.048 1.470 5.295 1.00 0.32 C ATOM 236 O SER A 16 17.743 0.488 5.016 1.00 0.32 O ATOM 237 CB SER A 16 17.948 3.726 4.736 1.00 0.40 C ATOM 238 OG SER A 16 19.014 3.294 3.914 1.00 1.26 O ATOM 0 H SER A 16 19.683 2.134 5.916 1.00 0.35 H new ATOM 0 HA SER A 16 16.997 3.188 6.564 1.00 0.35 H new ATOM 0 HB2 SER A 16 17.048 3.851 4.134 1.00 0.40 H new ATOM 0 HB3 SER A 16 18.185 4.701 5.162 1.00 0.40 H new ATOM 0 HG SER A 16 19.165 3.950 3.202 1.00 1.26 H new ATOM 244 N TYR A 17 15.732 1.497 5.154 1.00 0.32 N ATOM 245 CA TYR A 17 14.987 0.365 4.619 1.00 0.30 C ATOM 246 C TYR A 17 15.527 -0.031 3.248 1.00 0.31 C ATOM 247 O TYR A 17 15.544 -1.207 2.891 1.00 0.30 O ATOM 248 CB TYR A 17 13.498 0.707 4.527 1.00 0.33 C ATOM 249 CG TYR A 17 13.213 1.970 3.747 1.00 0.37 C ATOM 250 CD1 TYR A 17 13.309 3.215 4.353 1.00 1.14 C ATOM 251 CD2 TYR A 17 12.863 1.917 2.405 1.00 1.27 C ATOM 252 CE1 TYR A 17 13.070 4.373 3.644 1.00 1.16 C ATOM 253 CE2 TYR A 17 12.618 3.070 1.688 1.00 1.32 C ATOM 254 CZ TYR A 17 12.726 4.295 2.313 1.00 0.54 C ATOM 255 OH TYR A 17 12.500 5.448 1.608 1.00 0.65 O ATOM 0 H TYR A 17 15.152 2.298 5.405 1.00 0.32 H new ATOM 0 HA TYR A 17 15.110 -0.481 5.295 1.00 0.30 H new ATOM 0 HB2 TYR A 17 12.971 -0.125 4.060 1.00 0.33 H new ATOM 0 HB3 TYR A 17 13.096 0.814 5.534 1.00 0.33 H new ATOM 0 HD1 TYR A 17 13.575 3.278 5.398 1.00 1.14 H new ATOM 0 HD2 TYR A 17 12.781 0.958 1.914 1.00 1.27 H new ATOM 0 HE1 TYR A 17 13.152 5.334 4.129 1.00 1.16 H new ATOM 0 HE2 TYR A 17 12.344 3.014 0.645 1.00 1.32 H new ATOM 0 HH TYR A 17 12.268 5.225 0.682 1.00 0.65 H new ATOM 265 N GLN A 18 15.980 0.963 2.489 1.00 0.35 N ATOM 266 CA GLN A 18 16.540 0.720 1.171 1.00 0.37 C ATOM 267 C GLN A 18 17.827 -0.083 1.297 1.00 0.33 C ATOM 268 O GLN A 18 18.109 -0.954 0.479 1.00 0.34 O ATOM 269 CB GLN A 18 16.798 2.042 0.446 1.00 0.46 C ATOM 270 CG GLN A 18 17.378 1.873 -0.951 1.00 0.77 C ATOM 271 CD GLN A 18 16.471 1.099 -1.884 1.00 0.50 C ATOM 272 OE1 GLN A 18 15.253 1.197 -1.803 1.00 0.66 O ATOM 273 NE2 GLN A 18 17.061 0.321 -2.778 1.00 1.09 N ATOM 0 H GLN A 18 15.968 1.944 2.768 1.00 0.35 H new ATOM 0 HA GLN A 18 15.824 0.146 0.583 1.00 0.37 H new ATOM 0 HB2 GLN A 18 15.862 2.596 0.376 1.00 0.46 H new ATOM 0 HB3 GLN A 18 17.482 2.646 1.043 1.00 0.46 H new ATOM 0 HG2 GLN A 18 17.573 2.857 -1.378 1.00 0.77 H new ATOM 0 HG3 GLN A 18 18.337 1.361 -0.879 1.00 0.77 H new ATOM 0 HE21 GLN A 18 18.079 0.266 -2.814 1.00 1.09 H new ATOM 0 HE22 GLN A 18 16.498 -0.224 -3.431 1.00 1.09 H new ATOM 282 N THR A 19 18.586 0.195 2.354 1.00 0.33 N ATOM 283 CA THR A 19 19.828 -0.516 2.601 1.00 0.34 C ATOM 284 C THR A 19 19.505 -1.965 2.928 1.00 0.29 C ATOM 285 O THR A 19 20.168 -2.882 2.450 1.00 0.31 O ATOM 286 CB THR A 19 20.633 0.126 3.750 1.00 0.39 C ATOM 287 OG1 THR A 19 20.940 1.488 3.424 1.00 0.49 O ATOM 288 CG2 THR A 19 21.918 -0.646 4.018 1.00 0.45 C ATOM 0 H THR A 19 18.360 0.906 3.049 1.00 0.33 H new ATOM 0 HA THR A 19 20.447 -0.462 1.705 1.00 0.34 H new ATOM 0 HB THR A 19 20.024 0.095 4.654 1.00 0.39 H new ATOM 0 HG1 THR A 19 20.108 1.998 3.331 1.00 0.49 H new ATOM 0 HG21 THR A 19 22.465 -0.171 4.832 1.00 0.45 H new ATOM 0 HG22 THR A 19 21.675 -1.672 4.294 1.00 0.45 H new ATOM 0 HG23 THR A 19 22.535 -0.648 3.120 1.00 0.45 H new ATOM 296 N VAL A 20 18.464 -2.151 3.729 1.00 0.25 N ATOM 297 CA VAL A 20 18.004 -3.478 4.096 1.00 0.21 C ATOM 298 C VAL A 20 17.581 -4.244 2.847 1.00 0.20 C ATOM 299 O VAL A 20 17.955 -5.399 2.654 1.00 0.24 O ATOM 300 CB VAL A 20 16.817 -3.397 5.076 1.00 0.21 C ATOM 301 CG1 VAL A 20 16.224 -4.771 5.337 1.00 0.23 C ATOM 302 CG2 VAL A 20 17.252 -2.751 6.377 1.00 0.24 C ATOM 0 H VAL A 20 17.920 -1.391 4.138 1.00 0.25 H new ATOM 0 HA VAL A 20 18.826 -4.000 4.586 1.00 0.21 H new ATOM 0 HB VAL A 20 16.043 -2.781 4.619 1.00 0.21 H new ATOM 0 HG11 VAL A 20 15.389 -4.681 6.032 1.00 0.23 H new ATOM 0 HG12 VAL A 20 15.871 -5.199 4.399 1.00 0.23 H new ATOM 0 HG13 VAL A 20 16.986 -5.420 5.768 1.00 0.23 H new ATOM 0 HG21 VAL A 20 16.404 -2.700 7.060 1.00 0.24 H new ATOM 0 HG22 VAL A 20 18.047 -3.344 6.830 1.00 0.24 H new ATOM 0 HG23 VAL A 20 17.619 -1.744 6.178 1.00 0.24 H new ATOM 312 N SER A 21 16.824 -3.569 1.985 1.00 0.22 N ATOM 313 CA SER A 21 16.352 -4.164 0.742 1.00 0.25 C ATOM 314 C SER A 21 17.528 -4.573 -0.143 1.00 0.27 C ATOM 315 O SER A 21 17.465 -5.584 -0.842 1.00 0.32 O ATOM 316 CB SER A 21 15.440 -3.178 0.001 1.00 0.32 C ATOM 317 OG SER A 21 14.885 -3.759 -1.170 1.00 0.87 O ATOM 0 H SER A 21 16.524 -2.605 2.128 1.00 0.22 H new ATOM 0 HA SER A 21 15.780 -5.061 0.981 1.00 0.25 H new ATOM 0 HB2 SER A 21 14.637 -2.856 0.664 1.00 0.32 H new ATOM 0 HB3 SER A 21 16.008 -2.288 -0.268 1.00 0.32 H new ATOM 0 HG SER A 21 14.308 -3.105 -1.618 1.00 0.87 H new ATOM 323 N ARG A 22 18.604 -3.795 -0.089 1.00 0.30 N ATOM 324 CA ARG A 22 19.798 -4.080 -0.881 1.00 0.40 C ATOM 325 C ARG A 22 20.451 -5.374 -0.407 1.00 0.39 C ATOM 326 O ARG A 22 21.052 -6.101 -1.197 1.00 0.58 O ATOM 327 CB ARG A 22 20.798 -2.931 -0.775 1.00 0.51 C ATOM 328 CG ARG A 22 20.374 -1.671 -1.507 1.00 0.82 C ATOM 329 CD ARG A 22 21.322 -0.528 -1.203 1.00 0.75 C ATOM 330 NE ARG A 22 20.815 0.750 -1.708 1.00 0.73 N ATOM 331 CZ ARG A 22 20.681 1.846 -0.960 1.00 1.18 C ATOM 332 NH1 ARG A 22 20.969 1.803 0.337 1.00 2.03 N ATOM 333 NH2 ARG A 22 20.265 2.985 -1.509 1.00 1.28 N ATOM 0 H ARG A 22 18.675 -2.962 0.495 1.00 0.30 H new ATOM 0 HA ARG A 22 19.498 -4.192 -1.923 1.00 0.40 H new ATOM 0 HB2 ARG A 22 20.951 -2.693 0.278 1.00 0.51 H new ATOM 0 HB3 ARG A 22 21.759 -3.262 -1.170 1.00 0.51 H new ATOM 0 HG2 ARG A 22 20.355 -1.858 -2.581 1.00 0.82 H new ATOM 0 HG3 ARG A 22 19.361 -1.397 -1.213 1.00 0.82 H new ATOM 0 HD2 ARG A 22 21.473 -0.459 -0.126 1.00 0.75 H new ATOM 0 HD3 ARG A 22 22.295 -0.735 -1.649 1.00 0.75 H new ATOM 0 HE ARG A 22 20.548 0.805 -2.691 1.00 0.73 H new ATOM 0 HH11 ARG A 22 21.292 0.932 0.759 1.00 2.03 H new ATOM 0 HH12 ARG A 22 20.867 2.641 0.910 1.00 2.03 H new ATOM 0 HH21 ARG A 22 20.048 3.022 -2.505 1.00 1.28 H new ATOM 0 HH22 ARG A 22 20.164 3.821 -0.934 1.00 1.28 H new ATOM 347 N VAL A 23 20.309 -5.655 0.886 1.00 0.29 N ATOM 348 CA VAL A 23 20.874 -6.860 1.483 1.00 0.33 C ATOM 349 C VAL A 23 19.971 -8.054 1.220 1.00 0.34 C ATOM 350 O VAL A 23 20.434 -9.114 0.804 1.00 0.43 O ATOM 351 CB VAL A 23 21.068 -6.710 3.006 1.00 0.34 C ATOM 352 CG1 VAL A 23 21.734 -7.944 3.592 1.00 0.44 C ATOM 353 CG2 VAL A 23 21.877 -5.471 3.327 1.00 0.33 C ATOM 0 H VAL A 23 19.804 -5.060 1.543 1.00 0.29 H new ATOM 0 HA VAL A 23 21.849 -7.017 1.022 1.00 0.33 H new ATOM 0 HB VAL A 23 20.083 -6.604 3.460 1.00 0.34 H new ATOM 0 HG11 VAL A 23 21.860 -7.814 4.667 1.00 0.44 H new ATOM 0 HG12 VAL A 23 21.111 -8.818 3.403 1.00 0.44 H new ATOM 0 HG13 VAL A 23 22.710 -8.086 3.127 1.00 0.44 H new ATOM 0 HG21 VAL A 23 22.000 -5.387 4.407 1.00 0.33 H new ATOM 0 HG22 VAL A 23 22.856 -5.543 2.854 1.00 0.33 H new ATOM 0 HG23 VAL A 23 21.357 -4.590 2.951 1.00 0.33 H new ATOM 363 N VAL A 24 18.678 -7.865 1.460 1.00 0.29 N ATOM 364 CA VAL A 24 17.697 -8.920 1.251 1.00 0.32 C ATOM 365 C VAL A 24 17.687 -9.383 -0.202 1.00 0.34 C ATOM 366 O VAL A 24 17.714 -10.581 -0.480 1.00 0.41 O ATOM 367 CB VAL A 24 16.280 -8.463 1.657 1.00 0.32 C ATOM 368 CG1 VAL A 24 15.284 -9.601 1.503 1.00 0.39 C ATOM 369 CG2 VAL A 24 16.273 -7.935 3.081 1.00 0.35 C ATOM 0 H VAL A 24 18.285 -6.987 1.801 1.00 0.29 H new ATOM 0 HA VAL A 24 17.989 -9.755 1.887 1.00 0.32 H new ATOM 0 HB VAL A 24 15.980 -7.654 0.991 1.00 0.32 H new ATOM 0 HG11 VAL A 24 14.291 -9.258 1.794 1.00 0.39 H new ATOM 0 HG12 VAL A 24 15.264 -9.929 0.464 1.00 0.39 H new ATOM 0 HG13 VAL A 24 15.582 -10.434 2.140 1.00 0.39 H new ATOM 0 HG21 VAL A 24 15.264 -7.618 3.347 1.00 0.35 H new ATOM 0 HG22 VAL A 24 16.598 -8.721 3.762 1.00 0.35 H new ATOM 0 HG23 VAL A 24 16.952 -7.086 3.157 1.00 0.35 H new ATOM 379 N ASN A 25 17.671 -8.426 -1.123 1.00 0.33 N ATOM 380 CA ASN A 25 17.654 -8.740 -2.550 1.00 0.42 C ATOM 381 C ASN A 25 19.047 -9.097 -3.049 1.00 0.76 C ATOM 382 O ASN A 25 19.196 -9.663 -4.136 1.00 0.94 O ATOM 383 CB ASN A 25 17.108 -7.566 -3.368 1.00 0.83 C ATOM 384 CG ASN A 25 15.614 -7.373 -3.192 1.00 1.11 C ATOM 385 OD1 ASN A 25 14.810 -7.987 -3.888 1.00 1.72 O ATOM 386 ND2 ASN A 25 15.233 -6.503 -2.272 1.00 1.15 N ATOM 0 H ASN A 25 17.669 -7.429 -0.910 1.00 0.33 H new ATOM 0 HA ASN A 25 16.997 -9.600 -2.682 1.00 0.42 H new ATOM 0 HB2 ASN A 25 17.625 -6.653 -3.074 1.00 0.83 H new ATOM 0 HB3 ASN A 25 17.327 -7.731 -4.423 1.00 0.83 H new ATOM 0 HD21 ASN A 25 14.241 -6.322 -2.121 1.00 1.15 H new ATOM 0 HD22 ASN A 25 15.932 -6.013 -1.714 1.00 1.15 H new ATOM 393 N GLN A 26 20.057 -8.762 -2.245 1.00 1.08 N ATOM 394 CA GLN A 26 21.454 -9.028 -2.581 1.00 1.58 C ATOM 395 C GLN A 26 21.826 -8.318 -3.880 1.00 1.10 C ATOM 396 O GLN A 26 22.299 -8.936 -4.840 1.00 1.64 O ATOM 397 CB GLN A 26 21.698 -10.537 -2.693 1.00 2.64 C ATOM 398 CG GLN A 26 21.629 -11.267 -1.360 1.00 3.42 C ATOM 399 CD GLN A 26 21.283 -12.737 -1.511 1.00 4.28 C ATOM 400 OE1 GLN A 26 20.117 -13.125 -1.426 1.00 4.88 O ATOM 401 NE2 GLN A 26 22.296 -13.563 -1.746 1.00 4.73 N ATOM 0 H GLN A 26 19.929 -8.300 -1.345 1.00 1.08 H new ATOM 0 HA GLN A 26 22.089 -8.641 -1.784 1.00 1.58 H new ATOM 0 HB2 GLN A 26 20.960 -10.966 -3.371 1.00 2.64 H new ATOM 0 HB3 GLN A 26 22.678 -10.706 -3.140 1.00 2.64 H new ATOM 0 HG2 GLN A 26 22.588 -11.175 -0.851 1.00 3.42 H new ATOM 0 HG3 GLN A 26 20.884 -10.786 -0.726 1.00 3.42 H new ATOM 0 HE21 GLN A 26 23.247 -13.199 -1.809 1.00 4.73 H new ATOM 0 HE22 GLN A 26 22.123 -14.561 -1.864 1.00 4.73 H new ATOM 410 N ALA A 27 21.610 -7.011 -3.891 1.00 0.83 N ATOM 411 CA ALA A 27 21.878 -6.190 -5.060 1.00 1.50 C ATOM 412 C ALA A 27 23.175 -5.398 -4.899 1.00 1.34 C ATOM 413 O ALA A 27 24.115 -5.857 -4.250 1.00 2.01 O ATOM 414 CB ALA A 27 20.692 -5.265 -5.308 1.00 2.27 C ATOM 0 H ALA A 27 21.245 -6.492 -3.092 1.00 0.83 H new ATOM 0 HA ALA A 27 22.010 -6.839 -5.926 1.00 1.50 H new ATOM 0 HB1 ALA A 27 20.889 -4.647 -6.184 1.00 2.27 H new ATOM 0 HB2 ALA A 27 19.795 -5.861 -5.478 1.00 2.27 H new ATOM 0 HB3 ALA A 27 20.542 -4.624 -4.439 1.00 2.27 H new ATOM 420 N SER A 28 23.223 -4.216 -5.499 1.00 1.04 N ATOM 421 CA SER A 28 24.404 -3.361 -5.429 1.00 0.84 C ATOM 422 C SER A 28 24.212 -2.254 -4.391 1.00 0.71 C ATOM 423 O SER A 28 23.177 -2.202 -3.724 1.00 0.73 O ATOM 424 CB SER A 28 24.683 -2.761 -6.803 1.00 0.91 C ATOM 425 OG SER A 28 24.704 -3.769 -7.795 1.00 1.52 O ATOM 0 H SER A 28 22.454 -3.824 -6.043 1.00 1.04 H new ATOM 0 HA SER A 28 25.258 -3.965 -5.122 1.00 0.84 H new ATOM 0 HB2 SER A 28 23.919 -2.022 -7.045 1.00 0.91 H new ATOM 0 HB3 SER A 28 25.639 -2.238 -6.789 1.00 0.91 H new ATOM 0 HG SER A 28 24.883 -3.364 -8.669 1.00 1.52 H new ATOM 431 N HIS A 29 25.204 -1.353 -4.280 1.00 0.61 N ATOM 432 CA HIS A 29 25.177 -0.253 -3.319 1.00 0.53 C ATOM 433 C HIS A 29 25.138 -0.761 -1.875 1.00 0.59 C ATOM 434 O HIS A 29 24.630 -0.073 -0.989 1.00 0.76 O ATOM 435 CB HIS A 29 23.986 0.686 -3.516 1.00 0.50 C ATOM 436 CG HIS A 29 23.591 1.015 -4.930 1.00 0.50 C ATOM 437 ND1 HIS A 29 22.516 1.826 -5.215 1.00 0.46 N ATOM 438 CD2 HIS A 29 24.136 0.688 -6.129 1.00 0.64 C ATOM 439 CE1 HIS A 29 22.419 1.986 -6.515 1.00 0.53 C ATOM 440 NE2 HIS A 29 23.387 1.304 -7.099 1.00 0.63 N ATOM 0 H HIS A 29 26.044 -1.373 -4.858 1.00 0.61 H new ATOM 0 HA HIS A 29 26.099 0.299 -3.502 1.00 0.53 H new ATOM 0 HB2 HIS A 29 23.122 0.244 -3.019 1.00 0.50 H new ATOM 0 HB3 HIS A 29 24.206 1.621 -3.001 1.00 0.50 H new ATOM 0 HD2 HIS A 29 24.999 0.059 -6.290 1.00 0.64 H new ATOM 0 HE1 HIS A 29 21.671 2.578 -7.022 1.00 0.53 H new ATOM 0 HE2 HIS A 29 23.551 1.245 -8.104 1.00 0.63 H new ATOM 449 N VAL A 30 25.674 -1.948 -1.631 1.00 0.66 N ATOM 450 CA VAL A 30 25.664 -2.505 -0.283 1.00 0.76 C ATOM 451 C VAL A 30 27.065 -2.763 0.225 1.00 0.72 C ATOM 452 O VAL A 30 27.725 -3.713 -0.200 1.00 0.78 O ATOM 453 CB VAL A 30 24.872 -3.826 -0.178 1.00 0.94 C ATOM 454 CG1 VAL A 30 23.954 -3.789 1.030 1.00 1.01 C ATOM 455 CG2 VAL A 30 24.086 -4.108 -1.443 1.00 1.16 C ATOM 0 H VAL A 30 26.116 -2.538 -2.336 1.00 0.66 H new ATOM 0 HA VAL A 30 25.171 -1.749 0.328 1.00 0.76 H new ATOM 0 HB VAL A 30 25.587 -4.639 -0.053 1.00 0.94 H new ATOM 0 HG11 VAL A 30 23.400 -4.725 1.095 1.00 1.01 H new ATOM 0 HG12 VAL A 30 24.548 -3.655 1.934 1.00 1.01 H new ATOM 0 HG13 VAL A 30 23.254 -2.960 0.930 1.00 1.01 H new ATOM 0 HG21 VAL A 30 23.542 -5.046 -1.332 1.00 1.16 H new ATOM 0 HG22 VAL A 30 23.380 -3.297 -1.621 1.00 1.16 H new ATOM 0 HG23 VAL A 30 24.771 -4.184 -2.288 1.00 1.16 H new ATOM 465 N SER A 31 27.518 -1.914 1.135 1.00 0.71 N ATOM 466 CA SER A 31 28.835 -2.080 1.718 1.00 0.76 C ATOM 467 C SER A 31 28.807 -3.256 2.690 1.00 0.83 C ATOM 468 O SER A 31 27.750 -3.596 3.225 1.00 1.30 O ATOM 469 CB SER A 31 29.294 -0.798 2.423 1.00 0.75 C ATOM 470 OG SER A 31 28.312 -0.316 3.329 1.00 0.74 O ATOM 0 H SER A 31 26.995 -1.110 1.482 1.00 0.71 H new ATOM 0 HA SER A 31 29.552 -2.286 0.924 1.00 0.76 H new ATOM 0 HB2 SER A 31 30.222 -0.991 2.961 1.00 0.75 H new ATOM 0 HB3 SER A 31 29.510 -0.031 1.679 1.00 0.75 H new ATOM 0 HG SER A 31 27.625 -1.002 3.462 1.00 0.74 H new ATOM 476 N ALA A 32 29.955 -3.883 2.896 1.00 0.86 N ATOM 477 CA ALA A 32 30.062 -5.030 3.793 1.00 0.86 C ATOM 478 C ALA A 32 29.572 -4.707 5.202 1.00 0.75 C ATOM 479 O ALA A 32 28.847 -5.495 5.807 1.00 0.69 O ATOM 480 CB ALA A 32 31.498 -5.517 3.842 1.00 1.06 C ATOM 0 H ALA A 32 30.834 -3.616 2.452 1.00 0.86 H new ATOM 0 HA ALA A 32 29.420 -5.816 3.396 1.00 0.86 H new ATOM 0 HB1 ALA A 32 31.569 -6.373 4.513 1.00 1.06 H new ATOM 0 HB2 ALA A 32 31.816 -5.813 2.842 1.00 1.06 H new ATOM 0 HB3 ALA A 32 32.142 -4.716 4.206 1.00 1.06 H new ATOM 486 N LYS A 33 29.951 -3.533 5.705 1.00 0.80 N ATOM 487 CA LYS A 33 29.574 -3.110 7.051 1.00 0.78 C ATOM 488 C LYS A 33 28.058 -3.117 7.250 1.00 0.67 C ATOM 489 O LYS A 33 27.558 -3.632 8.251 1.00 0.69 O ATOM 490 CB LYS A 33 30.132 -1.718 7.341 1.00 0.94 C ATOM 491 CG LYS A 33 29.963 -1.287 8.788 1.00 1.53 C ATOM 492 CD LYS A 33 30.702 -2.225 9.730 1.00 1.99 C ATOM 493 CE LYS A 33 30.619 -1.757 11.176 1.00 2.99 C ATOM 494 NZ LYS A 33 31.187 -0.396 11.358 1.00 3.39 N ATOM 0 H LYS A 33 30.521 -2.856 5.198 1.00 0.80 H new ATOM 0 HA LYS A 33 30.002 -3.828 7.751 1.00 0.78 H new ATOM 0 HB2 LYS A 33 31.192 -1.700 7.086 1.00 0.94 H new ATOM 0 HB3 LYS A 33 29.636 -0.994 6.694 1.00 0.94 H new ATOM 0 HG2 LYS A 33 30.338 -0.271 8.914 1.00 1.53 H new ATOM 0 HG3 LYS A 33 28.904 -1.270 9.044 1.00 1.53 H new ATOM 0 HD2 LYS A 33 30.282 -3.227 9.648 1.00 1.99 H new ATOM 0 HD3 LYS A 33 31.748 -2.292 9.429 1.00 1.99 H new ATOM 0 HE2 LYS A 33 29.578 -1.761 11.498 1.00 2.99 H new ATOM 0 HE3 LYS A 33 31.153 -2.460 11.815 1.00 2.99 H new ATOM 0 HZ1 LYS A 33 31.361 -0.225 12.369 1.00 3.39 H new ATOM 0 HZ2 LYS A 33 32.083 -0.321 10.835 1.00 3.39 H new ATOM 0 HZ3 LYS A 33 30.516 0.312 10.997 1.00 3.39 H new ATOM 508 N THR A 34 27.327 -2.551 6.298 1.00 0.61 N ATOM 509 CA THR A 34 25.877 -2.506 6.393 1.00 0.54 C ATOM 510 C THR A 34 25.256 -3.870 6.128 1.00 0.51 C ATOM 511 O THR A 34 24.285 -4.244 6.777 1.00 0.49 O ATOM 512 CB THR A 34 25.268 -1.484 5.417 1.00 0.53 C ATOM 513 OG1 THR A 34 26.029 -1.434 4.203 1.00 0.65 O ATOM 514 CG2 THR A 34 25.208 -0.102 6.049 1.00 0.56 C ATOM 0 H THR A 34 27.713 -2.120 5.458 1.00 0.61 H new ATOM 0 HA THR A 34 25.651 -2.199 7.414 1.00 0.54 H new ATOM 0 HB THR A 34 24.252 -1.804 5.185 1.00 0.53 H new ATOM 0 HG1 THR A 34 26.395 -2.322 4.010 1.00 0.65 H new ATOM 0 HG21 THR A 34 24.774 0.604 5.341 1.00 0.56 H new ATOM 0 HG22 THR A 34 24.592 -0.139 6.948 1.00 0.56 H new ATOM 0 HG23 THR A 34 26.215 0.222 6.313 1.00 0.56 H new ATOM 522 N ARG A 35 25.827 -4.618 5.193 1.00 0.51 N ATOM 523 CA ARG A 35 25.309 -5.935 4.845 1.00 0.51 C ATOM 524 C ARG A 35 25.324 -6.876 6.050 1.00 0.52 C ATOM 525 O ARG A 35 24.349 -7.587 6.307 1.00 0.52 O ATOM 526 CB ARG A 35 26.124 -6.531 3.694 1.00 0.53 C ATOM 527 CG ARG A 35 25.562 -7.836 3.153 1.00 0.70 C ATOM 528 CD ARG A 35 26.313 -8.303 1.918 1.00 0.79 C ATOM 529 NE ARG A 35 25.809 -9.585 1.431 1.00 1.64 N ATOM 530 CZ ARG A 35 25.645 -9.887 0.145 1.00 2.19 C ATOM 531 NH1 ARG A 35 25.954 -9.005 -0.801 1.00 2.09 N ATOM 532 NH2 ARG A 35 25.175 -11.082 -0.188 1.00 3.31 N ATOM 0 H ARG A 35 26.650 -4.335 4.661 1.00 0.51 H new ATOM 0 HA ARG A 35 24.273 -5.818 4.527 1.00 0.51 H new ATOM 0 HB2 ARG A 35 26.174 -5.804 2.883 1.00 0.53 H new ATOM 0 HB3 ARG A 35 27.146 -6.700 4.034 1.00 0.53 H new ATOM 0 HG2 ARG A 35 25.618 -8.604 3.925 1.00 0.70 H new ATOM 0 HG3 ARG A 35 24.508 -7.705 2.910 1.00 0.70 H new ATOM 0 HD2 ARG A 35 26.222 -7.554 1.132 1.00 0.79 H new ATOM 0 HD3 ARG A 35 27.374 -8.394 2.150 1.00 0.79 H new ATOM 0 HE ARG A 35 25.567 -10.295 2.122 1.00 1.64 H new ATOM 0 HH11 ARG A 35 26.320 -8.088 -0.544 1.00 2.09 H new ATOM 0 HH12 ARG A 35 25.825 -9.245 -1.784 1.00 2.09 H new ATOM 0 HH21 ARG A 35 24.943 -11.759 0.538 1.00 3.31 H new ATOM 0 HH22 ARG A 35 25.046 -11.323 -1.171 1.00 3.31 H new ATOM 546 N GLU A 36 26.417 -6.844 6.805 1.00 0.56 N ATOM 547 CA GLU A 36 26.569 -7.709 7.972 1.00 0.58 C ATOM 548 C GLU A 36 25.742 -7.226 9.162 1.00 0.54 C ATOM 549 O GLU A 36 25.414 -8.010 10.053 1.00 0.61 O ATOM 550 CB GLU A 36 28.043 -7.826 8.356 1.00 0.67 C ATOM 551 CG GLU A 36 28.914 -8.265 7.190 1.00 0.70 C ATOM 552 CD GLU A 36 30.244 -8.857 7.614 1.00 0.85 C ATOM 553 OE1 GLU A 36 31.139 -8.088 8.028 1.00 1.45 O ATOM 554 OE2 GLU A 36 30.404 -10.097 7.518 1.00 1.39 O ATOM 0 H GLU A 36 27.212 -6.229 6.631 1.00 0.56 H new ATOM 0 HA GLU A 36 26.191 -8.694 7.698 1.00 0.58 H new ATOM 0 HB2 GLU A 36 28.396 -6.864 8.727 1.00 0.67 H new ATOM 0 HB3 GLU A 36 28.147 -8.541 9.173 1.00 0.67 H new ATOM 0 HG2 GLU A 36 28.370 -9.002 6.598 1.00 0.70 H new ATOM 0 HG3 GLU A 36 29.097 -7.408 6.542 1.00 0.70 H new ATOM 561 N LYS A 37 25.380 -5.949 9.178 1.00 0.49 N ATOM 562 CA LYS A 37 24.592 -5.424 10.285 1.00 0.47 C ATOM 563 C LYS A 37 23.105 -5.583 10.008 1.00 0.39 C ATOM 564 O LYS A 37 22.302 -5.726 10.932 1.00 0.38 O ATOM 565 CB LYS A 37 24.937 -3.964 10.585 1.00 0.52 C ATOM 566 CG LYS A 37 24.392 -2.957 9.588 1.00 0.86 C ATOM 567 CD LYS A 37 24.595 -1.531 10.076 1.00 0.84 C ATOM 568 CE LYS A 37 26.068 -1.211 10.285 1.00 0.73 C ATOM 569 NZ LYS A 37 26.261 0.097 10.966 1.00 0.98 N ATOM 0 H LYS A 37 25.614 -5.270 8.453 1.00 0.49 H new ATOM 0 HA LYS A 37 24.843 -6.006 11.172 1.00 0.47 H new ATOM 0 HB2 LYS A 37 24.558 -3.713 11.576 1.00 0.52 H new ATOM 0 HB3 LYS A 37 26.022 -3.863 10.624 1.00 0.52 H new ATOM 0 HG2 LYS A 37 24.888 -3.089 8.627 1.00 0.86 H new ATOM 0 HG3 LYS A 37 23.330 -3.141 9.426 1.00 0.86 H new ATOM 0 HD2 LYS A 37 24.171 -0.835 9.352 1.00 0.84 H new ATOM 0 HD3 LYS A 37 24.055 -1.386 11.012 1.00 0.84 H new ATOM 0 HE2 LYS A 37 26.530 -2.000 10.878 1.00 0.73 H new ATOM 0 HE3 LYS A 37 26.577 -1.197 9.321 1.00 0.73 H new ATOM 0 HZ1 LYS A 37 27.278 0.277 11.089 1.00 0.98 H new ATOM 0 HZ2 LYS A 37 25.843 0.854 10.389 1.00 0.98 H new ATOM 0 HZ3 LYS A 37 25.798 0.075 11.897 1.00 0.98 H new ATOM 583 N VAL A 38 22.738 -5.577 8.734 1.00 0.36 N ATOM 584 CA VAL A 38 21.344 -5.735 8.353 1.00 0.31 C ATOM 585 C VAL A 38 20.916 -7.182 8.550 1.00 0.32 C ATOM 586 O VAL A 38 19.847 -7.458 9.103 1.00 0.31 O ATOM 587 CB VAL A 38 21.093 -5.311 6.894 1.00 0.29 C ATOM 588 CG1 VAL A 38 19.681 -5.669 6.461 1.00 0.26 C ATOM 589 CG2 VAL A 38 21.343 -3.820 6.732 1.00 0.30 C ATOM 0 H VAL A 38 23.383 -5.465 7.952 1.00 0.36 H new ATOM 0 HA VAL A 38 20.751 -5.082 8.993 1.00 0.31 H new ATOM 0 HB VAL A 38 21.788 -5.853 6.252 1.00 0.29 H new ATOM 0 HG11 VAL A 38 19.528 -5.360 5.427 1.00 0.26 H new ATOM 0 HG12 VAL A 38 19.538 -6.746 6.542 1.00 0.26 H new ATOM 0 HG13 VAL A 38 18.963 -5.158 7.103 1.00 0.26 H new ATOM 0 HG21 VAL A 38 21.163 -3.531 5.697 1.00 0.30 H new ATOM 0 HG22 VAL A 38 20.670 -3.265 7.386 1.00 0.30 H new ATOM 0 HG23 VAL A 38 22.376 -3.593 6.997 1.00 0.30 H new ATOM 599 N GLU A 39 21.779 -8.103 8.130 1.00 0.36 N ATOM 600 CA GLU A 39 21.508 -9.526 8.271 1.00 0.39 C ATOM 601 C GLU A 39 21.446 -9.898 9.746 1.00 0.41 C ATOM 602 O GLU A 39 20.749 -10.833 10.139 1.00 0.43 O ATOM 603 CB GLU A 39 22.578 -10.359 7.566 1.00 0.44 C ATOM 604 CG GLU A 39 22.313 -10.571 6.086 1.00 0.55 C ATOM 605 CD GLU A 39 23.010 -11.804 5.550 1.00 0.82 C ATOM 606 OE1 GLU A 39 22.411 -12.901 5.600 1.00 1.59 O ATOM 607 OE2 GLU A 39 24.161 -11.688 5.082 1.00 1.44 O ATOM 0 H GLU A 39 22.673 -7.886 7.689 1.00 0.36 H new ATOM 0 HA GLU A 39 20.547 -9.740 7.804 1.00 0.39 H new ATOM 0 HB2 GLU A 39 23.544 -9.869 7.686 1.00 0.44 H new ATOM 0 HB3 GLU A 39 22.650 -11.330 8.055 1.00 0.44 H new ATOM 0 HG2 GLU A 39 21.239 -10.662 5.920 1.00 0.55 H new ATOM 0 HG3 GLU A 39 22.648 -9.696 5.530 1.00 0.55 H new ATOM 614 N ALA A 40 22.190 -9.154 10.554 1.00 0.43 N ATOM 615 CA ALA A 40 22.219 -9.374 11.988 1.00 0.46 C ATOM 616 C ALA A 40 20.944 -8.854 12.638 1.00 0.41 C ATOM 617 O ALA A 40 20.376 -9.502 13.517 1.00 0.43 O ATOM 618 CB ALA A 40 23.434 -8.694 12.598 1.00 0.52 C ATOM 0 H ALA A 40 22.784 -8.389 10.235 1.00 0.43 H new ATOM 0 HA ALA A 40 22.285 -10.447 12.171 1.00 0.46 H new ATOM 0 HB1 ALA A 40 23.445 -8.866 13.674 1.00 0.52 H new ATOM 0 HB2 ALA A 40 24.341 -9.105 12.155 1.00 0.52 H new ATOM 0 HB3 ALA A 40 23.388 -7.623 12.402 1.00 0.52 H new ATOM 624 N ALA A 41 20.477 -7.698 12.177 1.00 0.37 N ATOM 625 CA ALA A 41 19.275 -7.082 12.727 1.00 0.34 C ATOM 626 C ALA A 41 18.019 -7.852 12.341 1.00 0.31 C ATOM 627 O ALA A 41 17.114 -8.036 13.159 1.00 0.34 O ATOM 628 CB ALA A 41 19.169 -5.636 12.266 1.00 0.31 C ATOM 0 H ALA A 41 20.914 -7.168 11.423 1.00 0.37 H new ATOM 0 HA ALA A 41 19.357 -7.108 13.814 1.00 0.34 H new ATOM 0 HB1 ALA A 41 18.268 -5.186 12.683 1.00 0.31 H new ATOM 0 HB2 ALA A 41 20.043 -5.080 12.607 1.00 0.31 H new ATOM 0 HB3 ALA A 41 19.120 -5.604 11.178 1.00 0.31 H new ATOM 634 N MET A 42 17.976 -8.322 11.101 1.00 0.28 N ATOM 635 CA MET A 42 16.828 -9.072 10.602 1.00 0.29 C ATOM 636 C MET A 42 16.755 -10.450 11.255 1.00 0.35 C ATOM 637 O MET A 42 15.746 -11.142 11.153 1.00 0.39 O ATOM 638 CB MET A 42 16.886 -9.197 9.071 1.00 0.27 C ATOM 639 CG MET A 42 17.915 -10.192 8.567 1.00 0.33 C ATOM 640 SD MET A 42 17.730 -10.562 6.812 1.00 0.35 S ATOM 641 CE MET A 42 18.255 -9.014 6.082 1.00 0.33 C ATOM 0 H MET A 42 18.725 -8.197 10.420 1.00 0.28 H new ATOM 0 HA MET A 42 15.923 -8.524 10.866 1.00 0.29 H new ATOM 0 HB2 MET A 42 15.903 -9.491 8.704 1.00 0.27 H new ATOM 0 HB3 MET A 42 17.105 -8.218 8.646 1.00 0.27 H new ATOM 0 HG2 MET A 42 18.915 -9.796 8.747 1.00 0.33 H new ATOM 0 HG3 MET A 42 17.831 -11.116 9.139 1.00 0.33 H new ATOM 0 HE1 MET A 42 18.504 -9.172 5.033 1.00 0.33 H new ATOM 0 HE2 MET A 42 17.449 -8.284 6.158 1.00 0.33 H new ATOM 0 HE3 MET A 42 19.133 -8.642 6.610 1.00 0.33 H new ATOM 651 N ALA A 43 17.821 -10.828 11.954 1.00 0.40 N ATOM 652 CA ALA A 43 17.867 -12.117 12.621 1.00 0.47 C ATOM 653 C ALA A 43 17.379 -11.988 14.058 1.00 0.48 C ATOM 654 O ALA A 43 16.775 -12.905 14.607 1.00 0.53 O ATOM 655 CB ALA A 43 19.273 -12.693 12.577 1.00 0.52 C ATOM 0 H ALA A 43 18.660 -10.260 12.071 1.00 0.40 H new ATOM 0 HA ALA A 43 17.204 -12.804 12.094 1.00 0.47 H new ATOM 0 HB1 ALA A 43 19.286 -13.659 13.082 1.00 0.52 H new ATOM 0 HB2 ALA A 43 19.581 -12.822 11.539 1.00 0.52 H new ATOM 0 HB3 ALA A 43 19.961 -12.012 13.078 1.00 0.52 H new ATOM 661 N GLU A 44 17.630 -10.826 14.648 1.00 0.46 N ATOM 662 CA GLU A 44 17.223 -10.551 16.022 1.00 0.46 C ATOM 663 C GLU A 44 15.713 -10.433 16.116 1.00 0.45 C ATOM 664 O GLU A 44 15.062 -11.073 16.941 1.00 0.48 O ATOM 665 CB GLU A 44 17.839 -9.237 16.499 1.00 0.45 C ATOM 666 CG GLU A 44 19.354 -9.239 16.527 1.00 0.51 C ATOM 667 CD GLU A 44 19.919 -10.049 17.675 1.00 0.63 C ATOM 668 OE1 GLU A 44 20.103 -11.273 17.511 1.00 1.21 O ATOM 669 OE2 GLU A 44 20.180 -9.465 18.749 1.00 1.36 O ATOM 0 H GLU A 44 18.117 -10.053 14.193 1.00 0.46 H new ATOM 0 HA GLU A 44 17.567 -11.376 16.646 1.00 0.46 H new ATOM 0 HB2 GLU A 44 17.499 -8.431 15.848 1.00 0.45 H new ATOM 0 HB3 GLU A 44 17.468 -9.016 17.500 1.00 0.45 H new ATOM 0 HG2 GLU A 44 19.730 -9.640 15.586 1.00 0.51 H new ATOM 0 HG3 GLU A 44 19.713 -8.212 16.602 1.00 0.51 H new ATOM 676 N LEU A 45 15.173 -9.598 15.254 1.00 0.42 N ATOM 677 CA LEU A 45 13.742 -9.341 15.220 1.00 0.44 C ATOM 678 C LEU A 45 12.992 -10.414 14.433 1.00 0.48 C ATOM 679 O LEU A 45 11.768 -10.506 14.516 1.00 0.52 O ATOM 680 CB LEU A 45 13.491 -7.969 14.596 1.00 0.49 C ATOM 681 CG LEU A 45 14.461 -6.875 15.046 1.00 0.82 C ATOM 682 CD1 LEU A 45 14.671 -5.861 13.937 1.00 0.39 C ATOM 683 CD2 LEU A 45 13.956 -6.194 16.305 1.00 1.88 C ATOM 0 H LEU A 45 15.708 -9.078 14.558 1.00 0.42 H new ATOM 0 HA LEU A 45 13.368 -9.362 16.244 1.00 0.44 H new ATOM 0 HB2 LEU A 45 13.548 -8.062 13.511 1.00 0.49 H new ATOM 0 HB3 LEU A 45 12.475 -7.656 14.836 1.00 0.49 H new ATOM 0 HG LEU A 45 15.420 -7.340 15.273 1.00 0.82 H new ATOM 0 HD11 LEU A 45 15.364 -5.090 14.275 1.00 0.39 H new ATOM 0 HD12 LEU A 45 15.084 -6.361 13.060 1.00 0.39 H new ATOM 0 HD13 LEU A 45 13.717 -5.403 13.678 1.00 0.39 H new ATOM 0 HD21 LEU A 45 14.661 -5.420 16.607 1.00 1.88 H new ATOM 0 HD22 LEU A 45 12.983 -5.743 16.109 1.00 1.88 H new ATOM 0 HD23 LEU A 45 13.861 -6.930 17.103 1.00 1.88 H new ATOM 695 N ASN A 46 13.739 -11.231 13.686 1.00 0.49 N ATOM 696 CA ASN A 46 13.160 -12.286 12.844 1.00 0.54 C ATOM 697 C ASN A 46 12.315 -11.655 11.747 1.00 0.51 C ATOM 698 O ASN A 46 11.089 -11.777 11.720 1.00 0.60 O ATOM 699 CB ASN A 46 12.333 -13.282 13.663 1.00 0.62 C ATOM 700 CG ASN A 46 12.614 -14.719 13.266 1.00 1.22 C ATOM 701 OD1 ASN A 46 12.031 -15.241 12.316 1.00 2.01 O ATOM 702 ND2 ASN A 46 13.510 -15.370 13.993 1.00 1.90 N ATOM 0 H ASN A 46 14.757 -11.182 13.646 1.00 0.49 H new ATOM 0 HA ASN A 46 13.977 -12.849 12.393 1.00 0.54 H new ATOM 0 HB2 ASN A 46 12.552 -13.150 14.723 1.00 0.62 H new ATOM 0 HB3 ASN A 46 11.272 -13.070 13.528 1.00 0.62 H new ATOM 0 HD21 ASN A 46 13.738 -16.339 13.773 1.00 1.90 H new ATOM 0 HD22 ASN A 46 13.972 -14.902 14.773 1.00 1.90 H new ATOM 709 N TYR A 47 13.006 -10.965 10.858 1.00 0.42 N ATOM 710 CA TYR A 47 12.399 -10.257 9.742 1.00 0.39 C ATOM 711 C TYR A 47 11.826 -11.215 8.701 1.00 0.49 C ATOM 712 O TYR A 47 12.438 -12.228 8.364 1.00 0.58 O ATOM 713 CB TYR A 47 13.461 -9.342 9.129 1.00 0.27 C ATOM 714 CG TYR A 47 13.140 -8.787 7.765 1.00 0.25 C ATOM 715 CD1 TYR A 47 11.914 -8.207 7.495 1.00 1.16 C ATOM 716 CD2 TYR A 47 14.088 -8.828 6.756 1.00 1.07 C ATOM 717 CE1 TYR A 47 11.636 -7.685 6.252 1.00 1.16 C ATOM 718 CE2 TYR A 47 13.820 -8.312 5.510 1.00 1.08 C ATOM 719 CZ TYR A 47 12.593 -7.742 5.262 1.00 0.23 C ATOM 720 OH TYR A 47 12.323 -7.216 4.025 1.00 0.24 O ATOM 0 H TYR A 47 14.022 -10.878 10.890 1.00 0.42 H new ATOM 0 HA TYR A 47 11.557 -9.666 10.103 1.00 0.39 H new ATOM 0 HB2 TYR A 47 13.631 -8.507 9.809 1.00 0.27 H new ATOM 0 HB3 TYR A 47 14.397 -9.896 9.064 1.00 0.27 H new ATOM 0 HD1 TYR A 47 11.164 -8.163 8.271 1.00 1.16 H new ATOM 0 HD2 TYR A 47 15.053 -9.272 6.951 1.00 1.07 H new ATOM 0 HE1 TYR A 47 10.675 -7.234 6.054 1.00 1.16 H new ATOM 0 HE2 TYR A 47 14.568 -8.354 4.732 1.00 1.08 H new ATOM 0 HH TYR A 47 13.101 -7.336 3.442 1.00 0.24 H new ATOM 730 N ILE A 48 10.651 -10.871 8.188 1.00 0.56 N ATOM 731 CA ILE A 48 9.979 -11.691 7.188 1.00 0.66 C ATOM 732 C ILE A 48 10.002 -11.011 5.821 1.00 0.52 C ATOM 733 O ILE A 48 9.305 -10.017 5.611 1.00 0.55 O ATOM 734 CB ILE A 48 8.504 -11.957 7.562 1.00 0.91 C ATOM 735 CG1 ILE A 48 8.344 -12.182 9.068 1.00 1.16 C ATOM 736 CG2 ILE A 48 7.961 -13.146 6.778 1.00 0.98 C ATOM 737 CD1 ILE A 48 9.040 -13.420 9.587 1.00 1.01 C ATOM 0 H ILE A 48 10.142 -10.026 8.449 1.00 0.56 H new ATOM 0 HA ILE A 48 10.520 -12.636 7.151 1.00 0.66 H new ATOM 0 HB ILE A 48 7.925 -11.073 7.296 1.00 0.91 H new ATOM 0 HG12 ILE A 48 8.732 -11.312 9.597 1.00 1.16 H new ATOM 0 HG13 ILE A 48 7.282 -12.250 9.303 1.00 1.16 H new ATOM 0 HG21 ILE A 48 6.921 -13.319 7.054 1.00 0.98 H new ATOM 0 HG22 ILE A 48 8.023 -12.937 5.710 1.00 0.98 H new ATOM 0 HG23 ILE A 48 8.550 -14.034 7.009 1.00 0.98 H new ATOM 0 HD11 ILE A 48 8.877 -13.505 10.661 1.00 1.01 H new ATOM 0 HD12 ILE A 48 8.636 -14.301 9.088 1.00 1.01 H new ATOM 0 HD13 ILE A 48 10.109 -13.347 9.387 1.00 1.01 H new ATOM 749 N PRO A 49 10.820 -11.515 4.886 1.00 0.44 N ATOM 750 CA PRO A 49 10.903 -10.964 3.530 1.00 0.35 C ATOM 751 C PRO A 49 9.616 -11.249 2.752 1.00 0.39 C ATOM 752 O PRO A 49 9.386 -12.375 2.303 1.00 0.49 O ATOM 753 CB PRO A 49 12.093 -11.707 2.898 1.00 0.40 C ATOM 754 CG PRO A 49 12.784 -12.394 4.027 1.00 0.51 C ATOM 755 CD PRO A 49 11.733 -12.646 5.070 1.00 0.55 C ATOM 0 HA PRO A 49 11.032 -9.882 3.524 1.00 0.35 H new ATOM 0 HB2 PRO A 49 11.754 -12.425 2.151 1.00 0.40 H new ATOM 0 HB3 PRO A 49 12.764 -11.013 2.392 1.00 0.40 H new ATOM 0 HG2 PRO A 49 13.236 -13.329 3.696 1.00 0.51 H new ATOM 0 HG3 PRO A 49 13.588 -11.775 4.426 1.00 0.51 H new ATOM 0 HD2 PRO A 49 11.231 -13.601 4.916 1.00 0.55 H new ATOM 0 HD3 PRO A 49 12.156 -12.666 6.074 1.00 0.55 H new ATOM 763 N ASN A 50 8.782 -10.230 2.606 1.00 0.40 N ATOM 764 CA ASN A 50 7.503 -10.373 1.921 1.00 0.45 C ATOM 765 C ASN A 50 7.662 -10.474 0.413 1.00 0.49 C ATOM 766 O ASN A 50 8.036 -9.509 -0.252 1.00 0.54 O ATOM 767 CB ASN A 50 6.586 -9.200 2.252 1.00 0.45 C ATOM 768 CG ASN A 50 6.092 -9.231 3.681 1.00 0.46 C ATOM 769 OD1 ASN A 50 5.118 -9.910 3.999 1.00 0.50 O ATOM 770 ND2 ASN A 50 6.751 -8.476 4.547 1.00 0.46 N ATOM 0 H ASN A 50 8.968 -9.290 2.954 1.00 0.40 H new ATOM 0 HA ASN A 50 7.060 -11.304 2.276 1.00 0.45 H new ATOM 0 HB2 ASN A 50 7.120 -8.266 2.077 1.00 0.45 H new ATOM 0 HB3 ASN A 50 5.731 -9.210 1.576 1.00 0.45 H new ATOM 0 HD21 ASN A 50 6.455 -8.442 5.523 1.00 0.46 H new ATOM 0 HD22 ASN A 50 7.554 -7.929 4.238 1.00 0.46 H new ATOM 777 N ARG A 51 7.359 -11.648 -0.123 1.00 0.51 N ATOM 778 CA ARG A 51 7.446 -11.883 -1.556 1.00 0.57 C ATOM 779 C ARG A 51 6.172 -11.412 -2.239 1.00 0.56 C ATOM 780 O ARG A 51 6.172 -11.113 -3.430 1.00 0.59 O ATOM 781 CB ARG A 51 7.710 -13.360 -1.842 1.00 0.63 C ATOM 782 CG ARG A 51 9.076 -13.810 -1.369 1.00 1.42 C ATOM 783 CD ARG A 51 9.470 -15.145 -1.964 1.00 2.25 C ATOM 784 NE ARG A 51 10.801 -15.557 -1.516 1.00 3.08 N ATOM 785 CZ ARG A 51 11.669 -16.236 -2.268 1.00 4.17 C ATOM 786 NH1 ARG A 51 11.361 -16.557 -3.522 1.00 4.66 N ATOM 787 NH2 ARG A 51 12.853 -16.575 -1.768 1.00 5.04 N ATOM 0 H ARG A 51 7.049 -12.456 0.417 1.00 0.51 H new ATOM 0 HA ARG A 51 8.282 -11.311 -1.958 1.00 0.57 H new ATOM 0 HB2 ARG A 51 6.944 -13.963 -1.355 1.00 0.63 H new ATOM 0 HB3 ARG A 51 7.623 -13.540 -2.914 1.00 0.63 H new ATOM 0 HG2 ARG A 51 9.819 -13.059 -1.639 1.00 1.42 H new ATOM 0 HG3 ARG A 51 9.077 -13.883 -0.281 1.00 1.42 H new ATOM 0 HD2 ARG A 51 8.739 -15.902 -1.680 1.00 2.25 H new ATOM 0 HD3 ARG A 51 9.455 -15.079 -3.052 1.00 2.25 H new ATOM 0 HE ARG A 51 11.083 -15.309 -0.568 1.00 3.08 H new ATOM 0 HH11 ARG A 51 10.459 -16.284 -3.911 1.00 4.66 H new ATOM 0 HH12 ARG A 51 12.027 -17.076 -4.094 1.00 4.66 H new ATOM 0 HH21 ARG A 51 13.096 -16.316 -0.812 1.00 5.04 H new ATOM 0 HH22 ARG A 51 13.519 -17.094 -2.341 1.00 5.04 H new ATOM 801 N CYS A 52 5.088 -11.318 -1.469 1.00 0.55 N ATOM 802 CA CYS A 52 3.816 -10.856 -1.999 1.00 0.55 C ATOM 803 C CYS A 52 3.920 -9.367 -2.265 1.00 0.52 C ATOM 804 O CYS A 52 3.389 -8.851 -3.247 1.00 0.57 O ATOM 805 CB CYS A 52 2.685 -11.142 -1.011 1.00 0.56 C ATOM 806 SG CYS A 52 1.497 -12.403 -1.577 1.00 0.83 S ATOM 0 H CYS A 52 5.070 -11.557 -0.477 1.00 0.55 H new ATOM 0 HA CYS A 52 3.590 -11.385 -2.925 1.00 0.55 H new ATOM 0 HB2 CYS A 52 3.118 -11.466 -0.065 1.00 0.56 H new ATOM 0 HB3 CYS A 52 2.147 -10.215 -0.814 1.00 0.56 H new ATOM 811 N ALA A 53 4.628 -8.685 -1.371 1.00 0.45 N ATOM 812 CA ALA A 53 4.863 -7.261 -1.508 1.00 0.43 C ATOM 813 C ALA A 53 5.828 -7.023 -2.654 1.00 0.43 C ATOM 814 O ALA A 53 5.759 -6.009 -3.340 1.00 0.44 O ATOM 815 CB ALA A 53 5.402 -6.700 -0.221 1.00 0.41 C ATOM 0 H ALA A 53 5.049 -9.103 -0.541 1.00 0.45 H new ATOM 0 HA ALA A 53 3.925 -6.751 -1.728 1.00 0.43 H new ATOM 0 HB1 ALA A 53 5.575 -5.630 -0.335 1.00 0.41 H new ATOM 0 HB2 ALA A 53 4.681 -6.868 0.579 1.00 0.41 H new ATOM 0 HB3 ALA A 53 6.341 -7.195 0.027 1.00 0.41 H new ATOM 821 N GLN A 54 6.718 -7.987 -2.862 1.00 0.45 N ATOM 822 CA GLN A 54 7.689 -7.913 -3.944 1.00 0.48 C ATOM 823 C GLN A 54 6.978 -8.064 -5.286 1.00 0.51 C ATOM 824 O GLN A 54 7.357 -7.441 -6.273 1.00 0.55 O ATOM 825 CB GLN A 54 8.756 -8.996 -3.782 1.00 0.50 C ATOM 826 CG GLN A 54 9.826 -8.972 -4.865 1.00 0.74 C ATOM 827 CD GLN A 54 10.738 -10.182 -4.814 1.00 0.82 C ATOM 828 OE1 GLN A 54 10.439 -11.224 -5.394 1.00 1.21 O ATOM 829 NE2 GLN A 54 11.861 -10.050 -4.129 1.00 1.07 N ATOM 0 H GLN A 54 6.786 -8.831 -2.293 1.00 0.45 H new ATOM 0 HA GLN A 54 8.182 -6.941 -3.910 1.00 0.48 H new ATOM 0 HB2 GLN A 54 9.234 -8.879 -2.809 1.00 0.50 H new ATOM 0 HB3 GLN A 54 8.272 -9.973 -3.784 1.00 0.50 H new ATOM 0 HG2 GLN A 54 9.346 -8.925 -5.843 1.00 0.74 H new ATOM 0 HG3 GLN A 54 10.424 -8.067 -4.759 1.00 0.74 H new ATOM 0 HE21 GLN A 54 12.073 -9.168 -3.662 1.00 1.07 H new ATOM 0 HE22 GLN A 54 12.516 -10.830 -4.068 1.00 1.07 H new ATOM 838 N GLN A 55 5.947 -8.907 -5.314 1.00 0.52 N ATOM 839 CA GLN A 55 5.157 -9.117 -6.527 1.00 0.57 C ATOM 840 C GLN A 55 4.439 -7.823 -6.897 1.00 0.58 C ATOM 841 O GLN A 55 4.200 -7.536 -8.067 1.00 0.74 O ATOM 842 CB GLN A 55 4.131 -10.242 -6.322 1.00 0.62 C ATOM 843 CG GLN A 55 4.744 -11.630 -6.230 1.00 0.65 C ATOM 844 CD GLN A 55 3.784 -12.672 -5.675 1.00 1.22 C ATOM 845 OE1 GLN A 55 4.200 -13.612 -4.997 1.00 1.83 O ATOM 846 NE2 GLN A 55 2.495 -12.527 -5.970 1.00 2.01 N ATOM 0 H GLN A 55 5.639 -9.456 -4.511 1.00 0.52 H new ATOM 0 HA GLN A 55 5.828 -9.408 -7.335 1.00 0.57 H new ATOM 0 HB2 GLN A 55 3.568 -10.044 -5.410 1.00 0.62 H new ATOM 0 HB3 GLN A 55 3.419 -10.225 -7.147 1.00 0.62 H new ATOM 0 HG2 GLN A 55 5.075 -11.941 -7.221 1.00 0.65 H new ATOM 0 HG3 GLN A 55 5.630 -11.588 -5.597 1.00 0.65 H new ATOM 0 HE21 GLN A 55 2.187 -11.735 -6.534 1.00 2.01 H new ATOM 0 HE22 GLN A 55 1.815 -13.208 -5.632 1.00 2.01 H new ATOM 855 N LEU A 56 4.113 -7.044 -5.872 1.00 0.51 N ATOM 856 CA LEU A 56 3.434 -5.772 -6.038 1.00 0.50 C ATOM 857 C LEU A 56 4.426 -4.678 -6.425 1.00 0.47 C ATOM 858 O LEU A 56 4.276 -4.025 -7.455 1.00 0.48 O ATOM 859 CB LEU A 56 2.734 -5.396 -4.731 1.00 0.49 C ATOM 860 CG LEU A 56 1.501 -4.516 -4.887 1.00 0.49 C ATOM 861 CD1 LEU A 56 0.368 -5.303 -5.520 1.00 0.51 C ATOM 862 CD2 LEU A 56 1.073 -3.970 -3.545 1.00 0.48 C ATOM 0 H LEU A 56 4.315 -7.281 -4.901 1.00 0.51 H new ATOM 0 HA LEU A 56 2.698 -5.868 -6.836 1.00 0.50 H new ATOM 0 HB2 LEU A 56 2.444 -6.312 -4.216 1.00 0.49 H new ATOM 0 HB3 LEU A 56 3.449 -4.882 -4.089 1.00 0.49 H new ATOM 0 HG LEU A 56 1.751 -3.680 -5.540 1.00 0.49 H new ATOM 0 HD11 LEU A 56 -0.507 -4.661 -5.625 1.00 0.51 H new ATOM 0 HD12 LEU A 56 0.677 -5.659 -6.503 1.00 0.51 H new ATOM 0 HD13 LEU A 56 0.119 -6.155 -4.887 1.00 0.51 H new ATOM 0 HD21 LEU A 56 0.191 -3.343 -3.672 1.00 0.48 H new ATOM 0 HD22 LEU A 56 0.837 -4.796 -2.874 1.00 0.48 H new ATOM 0 HD23 LEU A 56 1.882 -3.376 -3.119 1.00 0.48 H new ATOM 874 N ALA A 57 5.460 -4.509 -5.602 1.00 0.45 N ATOM 875 CA ALA A 57 6.480 -3.485 -5.824 1.00 0.44 C ATOM 876 C ALA A 57 7.285 -3.732 -7.097 1.00 0.46 C ATOM 877 O ALA A 57 7.825 -2.797 -7.693 1.00 0.49 O ATOM 878 CB ALA A 57 7.408 -3.423 -4.624 1.00 0.44 C ATOM 0 H ALA A 57 5.614 -5.074 -4.767 1.00 0.45 H new ATOM 0 HA ALA A 57 5.968 -2.531 -5.950 1.00 0.44 H new ATOM 0 HB1 ALA A 57 8.168 -2.659 -4.791 1.00 0.44 H new ATOM 0 HB2 ALA A 57 6.833 -3.174 -3.732 1.00 0.44 H new ATOM 0 HB3 ALA A 57 7.890 -4.391 -4.487 1.00 0.44 H new ATOM 884 N GLY A 58 7.371 -4.989 -7.506 1.00 0.53 N ATOM 885 CA GLY A 58 8.109 -5.336 -8.706 1.00 0.61 C ATOM 886 C GLY A 58 7.254 -5.259 -9.954 1.00 0.94 C ATOM 887 O GLY A 58 7.654 -5.729 -11.020 1.00 1.14 O ATOM 0 H GLY A 58 6.941 -5.780 -7.026 1.00 0.53 H new ATOM 0 HA2 GLY A 58 8.962 -4.665 -8.811 1.00 0.61 H new ATOM 0 HA3 GLY A 58 8.508 -6.345 -8.604 1.00 0.61 H new ATOM 1017 N VAL B 4 -8.851 -13.367 -7.366 1.00 0.78 N ATOM 1018 CA VAL B 4 -9.737 -12.256 -7.683 1.00 0.66 C ATOM 1019 C VAL B 4 -9.541 -11.121 -6.693 1.00 0.59 C ATOM 1020 O VAL B 4 -9.300 -11.348 -5.514 1.00 0.64 O ATOM 1021 CB VAL B 4 -11.220 -12.696 -7.677 1.00 0.63 C ATOM 1022 CG1 VAL B 4 -12.148 -11.541 -8.019 1.00 0.56 C ATOM 1023 CG2 VAL B 4 -11.435 -13.842 -8.642 1.00 0.73 C ATOM 0 HA VAL B 4 -9.483 -11.911 -8.685 1.00 0.66 H new ATOM 0 HB VAL B 4 -11.460 -13.030 -6.668 1.00 0.63 H new ATOM 0 HG11 VAL B 4 -13.181 -11.888 -8.005 1.00 0.56 H new ATOM 0 HG12 VAL B 4 -12.023 -10.744 -7.286 1.00 0.56 H new ATOM 0 HG13 VAL B 4 -11.906 -11.162 -9.012 1.00 0.56 H new ATOM 0 HG21 VAL B 4 -12.483 -14.140 -8.626 1.00 0.73 H new ATOM 0 HG22 VAL B 4 -11.163 -13.526 -9.649 1.00 0.73 H new ATOM 0 HG23 VAL B 4 -10.813 -14.687 -8.347 1.00 0.73 H new ATOM 1033 N THR B 5 -9.645 -9.899 -7.181 1.00 0.50 N ATOM 1034 CA THR B 5 -9.480 -8.733 -6.346 1.00 0.45 C ATOM 1035 C THR B 5 -10.827 -8.298 -5.784 1.00 0.40 C ATOM 1036 O THR B 5 -11.874 -8.758 -6.244 1.00 0.39 O ATOM 1037 CB THR B 5 -8.864 -7.577 -7.155 1.00 0.42 C ATOM 1038 OG1 THR B 5 -9.883 -6.940 -7.937 1.00 0.39 O ATOM 1039 CG2 THR B 5 -7.768 -8.092 -8.076 1.00 0.48 C ATOM 0 H THR B 5 -9.845 -9.692 -8.160 1.00 0.50 H new ATOM 0 HA THR B 5 -8.811 -8.989 -5.525 1.00 0.45 H new ATOM 0 HB THR B 5 -8.430 -6.859 -6.459 1.00 0.42 H new ATOM 0 HG1 THR B 5 -9.977 -7.407 -8.794 1.00 0.39 H new ATOM 0 HG21 THR B 5 -7.345 -7.260 -8.639 1.00 0.48 H new ATOM 0 HG22 THR B 5 -6.985 -8.563 -7.482 1.00 0.48 H new ATOM 0 HG23 THR B 5 -8.188 -8.822 -8.768 1.00 0.48 H new ATOM 1047 N LEU B 6 -10.810 -7.403 -4.800 1.00 0.39 N ATOM 1048 CA LEU B 6 -12.047 -6.914 -4.212 1.00 0.36 C ATOM 1049 C LEU B 6 -12.607 -5.829 -5.121 1.00 0.32 C ATOM 1050 O LEU B 6 -13.745 -5.373 -4.979 1.00 0.30 O ATOM 1051 CB LEU B 6 -11.766 -6.415 -2.790 1.00 0.41 C ATOM 1052 CG LEU B 6 -12.694 -5.347 -2.230 1.00 0.44 C ATOM 1053 CD1 LEU B 6 -12.948 -5.602 -0.758 1.00 0.65 C ATOM 1054 CD2 LEU B 6 -12.087 -3.975 -2.425 1.00 0.50 C ATOM 0 H LEU B 6 -9.960 -7.007 -4.398 1.00 0.39 H new ATOM 0 HA LEU B 6 -12.795 -7.702 -4.129 1.00 0.36 H new ATOM 0 HB2 LEU B 6 -11.796 -7.274 -2.119 1.00 0.41 H new ATOM 0 HB3 LEU B 6 -10.748 -6.025 -2.764 1.00 0.41 H new ATOM 0 HG LEU B 6 -13.643 -5.388 -2.764 1.00 0.44 H new ATOM 0 HD11 LEU B 6 -13.613 -4.833 -0.365 1.00 0.65 H new ATOM 0 HD12 LEU B 6 -13.411 -6.581 -0.633 1.00 0.65 H new ATOM 0 HD13 LEU B 6 -12.003 -5.576 -0.216 1.00 0.65 H new ATOM 0 HD21 LEU B 6 -12.760 -3.219 -2.021 1.00 0.50 H new ATOM 0 HD22 LEU B 6 -11.130 -3.924 -1.907 1.00 0.50 H new ATOM 0 HD23 LEU B 6 -11.934 -3.793 -3.489 1.00 0.50 H new ATOM 1066 N TYR B 7 -11.782 -5.475 -6.101 1.00 0.33 N ATOM 1067 CA TYR B 7 -12.109 -4.473 -7.091 1.00 0.32 C ATOM 1068 C TYR B 7 -13.007 -5.090 -8.158 1.00 0.32 C ATOM 1069 O TYR B 7 -13.988 -4.485 -8.591 1.00 0.35 O ATOM 1070 CB TYR B 7 -10.815 -3.941 -7.715 1.00 0.36 C ATOM 1071 CG TYR B 7 -10.218 -2.758 -6.980 1.00 0.37 C ATOM 1072 CD1 TYR B 7 -9.437 -2.914 -5.827 1.00 1.24 C ATOM 1073 CD2 TYR B 7 -10.458 -1.468 -7.435 1.00 1.27 C ATOM 1074 CE1 TYR B 7 -8.928 -1.814 -5.170 1.00 1.25 C ATOM 1075 CE2 TYR B 7 -9.941 -0.366 -6.779 1.00 1.27 C ATOM 1076 CZ TYR B 7 -9.178 -0.543 -5.646 1.00 0.44 C ATOM 1077 OH TYR B 7 -8.667 0.556 -4.986 1.00 0.49 O ATOM 0 H TYR B 7 -10.857 -5.886 -6.225 1.00 0.33 H new ATOM 0 HA TYR B 7 -12.641 -3.644 -6.624 1.00 0.32 H new ATOM 0 HB2 TYR B 7 -10.080 -4.746 -7.745 1.00 0.36 H new ATOM 0 HB3 TYR B 7 -11.013 -3.652 -8.747 1.00 0.36 H new ATOM 0 HD1 TYR B 7 -9.232 -3.905 -5.450 1.00 1.24 H new ATOM 0 HD2 TYR B 7 -11.061 -1.323 -8.319 1.00 1.27 H new ATOM 0 HE1 TYR B 7 -8.331 -1.947 -4.280 1.00 1.25 H new ATOM 0 HE2 TYR B 7 -10.134 0.628 -7.153 1.00 1.27 H new ATOM 0 HH TYR B 7 -9.222 0.755 -4.204 1.00 0.49 H new ATOM 1087 N ASP B 8 -12.673 -6.320 -8.547 1.00 0.33 N ATOM 1088 CA ASP B 8 -13.442 -7.053 -9.554 1.00 0.35 C ATOM 1089 C ASP B 8 -14.847 -7.333 -9.040 1.00 0.31 C ATOM 1090 O ASP B 8 -15.821 -7.276 -9.791 1.00 0.33 O ATOM 1091 CB ASP B 8 -12.745 -8.373 -9.904 1.00 0.41 C ATOM 1092 CG ASP B 8 -11.561 -8.182 -10.829 1.00 0.49 C ATOM 1093 OD1 ASP B 8 -10.444 -7.909 -10.329 1.00 1.07 O ATOM 1094 OD2 ASP B 8 -11.735 -8.310 -12.057 1.00 1.31 O ATOM 0 H ASP B 8 -11.872 -6.832 -8.179 1.00 0.33 H new ATOM 0 HA ASP B 8 -13.506 -6.440 -10.453 1.00 0.35 H new ATOM 0 HB2 ASP B 8 -12.410 -8.856 -8.986 1.00 0.41 H new ATOM 0 HB3 ASP B 8 -13.463 -9.045 -10.374 1.00 0.41 H new ATOM 1099 N VAL B 9 -14.933 -7.623 -7.747 1.00 0.27 N ATOM 1100 CA VAL B 9 -16.206 -7.903 -7.099 1.00 0.25 C ATOM 1101 C VAL B 9 -17.151 -6.716 -7.251 1.00 0.25 C ATOM 1102 O VAL B 9 -18.346 -6.881 -7.508 1.00 0.28 O ATOM 1103 CB VAL B 9 -16.001 -8.231 -5.605 1.00 0.25 C ATOM 1104 CG1 VAL B 9 -17.324 -8.502 -4.911 1.00 0.27 C ATOM 1105 CG2 VAL B 9 -15.072 -9.422 -5.451 1.00 0.28 C ATOM 0 H VAL B 9 -14.128 -7.670 -7.123 1.00 0.27 H new ATOM 0 HA VAL B 9 -16.650 -8.772 -7.584 1.00 0.25 H new ATOM 0 HB VAL B 9 -15.546 -7.361 -5.130 1.00 0.25 H new ATOM 0 HG11 VAL B 9 -17.144 -8.730 -3.860 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -17.962 -7.621 -4.987 1.00 0.27 H new ATOM 0 HG13 VAL B 9 -17.817 -9.350 -5.386 1.00 0.27 H new ATOM 0 HG21 VAL B 9 -14.936 -9.643 -4.392 1.00 0.28 H new ATOM 0 HG22 VAL B 9 -15.506 -10.289 -5.950 1.00 0.28 H new ATOM 0 HG23 VAL B 9 -14.106 -9.191 -5.900 1.00 0.28 H new ATOM 1115 N ALA B 10 -16.591 -5.519 -7.130 1.00 0.25 N ATOM 1116 CA ALA B 10 -17.361 -4.295 -7.257 1.00 0.28 C ATOM 1117 C ALA B 10 -17.824 -4.072 -8.691 1.00 0.33 C ATOM 1118 O ALA B 10 -19.000 -3.786 -8.937 1.00 0.37 O ATOM 1119 CB ALA B 10 -16.530 -3.122 -6.787 1.00 0.31 C ATOM 0 H ALA B 10 -15.599 -5.373 -6.943 1.00 0.25 H new ATOM 0 HA ALA B 10 -18.251 -4.385 -6.634 1.00 0.28 H new ATOM 0 HB1 ALA B 10 -17.110 -2.204 -6.883 1.00 0.31 H new ATOM 0 HB2 ALA B 10 -16.252 -3.268 -5.743 1.00 0.31 H new ATOM 0 HB3 ALA B 10 -15.629 -3.047 -7.396 1.00 0.31 H new ATOM 1125 N GLU B 11 -16.895 -4.219 -9.630 1.00 0.36 N ATOM 1126 CA GLU B 11 -17.185 -4.028 -11.048 1.00 0.44 C ATOM 1127 C GLU B 11 -18.306 -4.949 -11.526 1.00 0.47 C ATOM 1128 O GLU B 11 -19.174 -4.540 -12.298 1.00 0.56 O ATOM 1129 CB GLU B 11 -15.930 -4.279 -11.886 1.00 0.51 C ATOM 1130 CG GLU B 11 -14.751 -3.396 -11.506 1.00 1.27 C ATOM 1131 CD GLU B 11 -13.513 -3.690 -12.334 1.00 1.67 C ATOM 1132 OE1 GLU B 11 -12.901 -4.763 -12.144 1.00 2.34 O ATOM 1133 OE2 GLU B 11 -13.147 -2.849 -13.180 1.00 2.16 O ATOM 0 H GLU B 11 -15.927 -4.472 -9.433 1.00 0.36 H new ATOM 0 HA GLU B 11 -17.513 -2.996 -11.175 1.00 0.44 H new ATOM 0 HB2 GLU B 11 -15.638 -5.324 -11.782 1.00 0.51 H new ATOM 0 HB3 GLU B 11 -16.168 -4.118 -12.937 1.00 0.51 H new ATOM 0 HG2 GLU B 11 -15.029 -2.350 -11.633 1.00 1.27 H new ATOM 0 HG3 GLU B 11 -14.520 -3.538 -10.450 1.00 1.27 H new ATOM 1140 N TYR B 12 -18.290 -6.189 -11.063 1.00 0.43 N ATOM 1141 CA TYR B 12 -19.299 -7.165 -11.457 1.00 0.49 C ATOM 1142 C TYR B 12 -20.635 -6.914 -10.760 1.00 0.49 C ATOM 1143 O TYR B 12 -21.698 -7.127 -11.345 1.00 0.58 O ATOM 1144 CB TYR B 12 -18.821 -8.574 -11.136 1.00 0.49 C ATOM 1145 CG TYR B 12 -19.597 -9.652 -11.859 1.00 0.58 C ATOM 1146 CD1 TYR B 12 -19.309 -9.965 -13.180 1.00 1.15 C ATOM 1147 CD2 TYR B 12 -20.620 -10.344 -11.227 1.00 1.48 C ATOM 1148 CE1 TYR B 12 -20.018 -10.939 -13.853 1.00 1.18 C ATOM 1149 CE2 TYR B 12 -21.336 -11.319 -11.895 1.00 1.58 C ATOM 1150 CZ TYR B 12 -21.031 -11.612 -13.207 1.00 0.81 C ATOM 1151 OH TYR B 12 -21.739 -12.580 -13.877 1.00 0.94 O ATOM 0 H TYR B 12 -17.589 -6.546 -10.413 1.00 0.43 H new ATOM 0 HA TYR B 12 -19.450 -7.060 -12.531 1.00 0.49 H new ATOM 0 HB2 TYR B 12 -17.766 -8.660 -11.396 1.00 0.49 H new ATOM 0 HB3 TYR B 12 -18.899 -8.740 -10.061 1.00 0.49 H new ATOM 0 HD1 TYR B 12 -18.517 -9.437 -13.690 1.00 1.15 H new ATOM 0 HD2 TYR B 12 -20.860 -10.118 -10.199 1.00 1.48 H new ATOM 0 HE1 TYR B 12 -19.780 -11.172 -14.880 1.00 1.18 H new ATOM 0 HE2 TYR B 12 -22.131 -11.849 -11.391 1.00 1.58 H new ATOM 0 HH TYR B 12 -22.418 -12.960 -13.281 1.00 0.94 H new ATOM 1161 N ALA B 13 -20.579 -6.468 -9.515 1.00 0.43 N ATOM 1162 CA ALA B 13 -21.788 -6.210 -8.744 1.00 0.48 C ATOM 1163 C ALA B 13 -22.488 -4.939 -9.213 1.00 0.52 C ATOM 1164 O ALA B 13 -23.706 -4.806 -9.087 1.00 0.64 O ATOM 1165 CB ALA B 13 -21.456 -6.118 -7.264 1.00 0.43 C ATOM 0 H ALA B 13 -19.710 -6.277 -9.016 1.00 0.43 H new ATOM 0 HA ALA B 13 -22.473 -7.043 -8.903 1.00 0.48 H new ATOM 0 HB1 ALA B 13 -22.367 -5.925 -6.698 1.00 0.43 H new ATOM 0 HB2 ALA B 13 -21.014 -7.057 -6.931 1.00 0.43 H new ATOM 0 HB3 ALA B 13 -20.748 -5.306 -7.100 1.00 0.43 H new ATOM 1171 N GLY B 14 -21.712 -4.013 -9.763 1.00 0.48 N ATOM 1172 CA GLY B 14 -22.272 -2.762 -10.239 1.00 0.55 C ATOM 1173 C GLY B 14 -22.223 -1.679 -9.181 1.00 0.52 C ATOM 1174 O GLY B 14 -22.957 -0.690 -9.247 1.00 0.59 O ATOM 0 H GLY B 14 -20.704 -4.106 -9.888 1.00 0.48 H new ATOM 0 HA2 GLY B 14 -21.724 -2.432 -11.121 1.00 0.55 H new ATOM 0 HA3 GLY B 14 -23.305 -2.921 -10.547 1.00 0.55 H new ATOM 1178 N VAL B 15 -21.352 -1.870 -8.205 1.00 0.47 N ATOM 1179 CA VAL B 15 -21.187 -0.925 -7.115 1.00 0.46 C ATOM 1180 C VAL B 15 -19.751 -0.430 -7.076 1.00 0.43 C ATOM 1181 O VAL B 15 -18.914 -0.904 -7.845 1.00 0.43 O ATOM 1182 CB VAL B 15 -21.533 -1.574 -5.761 1.00 0.43 C ATOM 1183 CG1 VAL B 15 -22.993 -1.989 -5.722 1.00 0.50 C ATOM 1184 CG2 VAL B 15 -20.635 -2.776 -5.488 1.00 0.36 C ATOM 0 H VAL B 15 -20.740 -2.684 -8.146 1.00 0.47 H new ATOM 0 HA VAL B 15 -21.866 -0.090 -7.287 1.00 0.46 H new ATOM 0 HB VAL B 15 -21.361 -0.833 -4.981 1.00 0.43 H new ATOM 0 HG11 VAL B 15 -23.216 -2.445 -4.757 1.00 0.50 H new ATOM 0 HG12 VAL B 15 -23.624 -1.112 -5.863 1.00 0.50 H new ATOM 0 HG13 VAL B 15 -23.188 -2.709 -6.517 1.00 0.50 H new ATOM 0 HG21 VAL B 15 -20.899 -3.217 -4.527 1.00 0.36 H new ATOM 0 HG22 VAL B 15 -20.770 -3.517 -6.276 1.00 0.36 H new ATOM 0 HG23 VAL B 15 -19.594 -2.455 -5.466 1.00 0.36 H new ATOM 1194 N SER B 16 -19.456 0.516 -6.198 1.00 0.45 N ATOM 1195 CA SER B 16 -18.099 1.016 -6.090 1.00 0.46 C ATOM 1196 C SER B 16 -17.256 0.008 -5.318 1.00 0.41 C ATOM 1197 O SER B 16 -17.790 -0.791 -4.542 1.00 0.39 O ATOM 1198 CB SER B 16 -18.075 2.382 -5.399 1.00 0.50 C ATOM 1199 OG SER B 16 -18.502 2.288 -4.052 1.00 0.64 O ATOM 0 H SER B 16 -20.127 0.946 -5.561 1.00 0.45 H new ATOM 0 HA SER B 16 -17.684 1.145 -7.090 1.00 0.46 H new ATOM 0 HB2 SER B 16 -17.065 2.791 -5.434 1.00 0.50 H new ATOM 0 HB3 SER B 16 -18.719 3.076 -5.939 1.00 0.50 H new ATOM 0 HG SER B 16 -19.228 1.633 -3.984 1.00 0.64 H new ATOM 1205 N TYR B 17 -15.949 0.023 -5.536 1.00 0.42 N ATOM 1206 CA TYR B 17 -15.058 -0.896 -4.839 1.00 0.41 C ATOM 1207 C TYR B 17 -15.135 -0.659 -3.330 1.00 0.41 C ATOM 1208 O TYR B 17 -14.910 -1.565 -2.526 1.00 0.40 O ATOM 1209 CB TYR B 17 -13.627 -0.748 -5.377 1.00 0.51 C ATOM 1210 CG TYR B 17 -12.623 -0.205 -4.385 1.00 0.40 C ATOM 1211 CD1 TYR B 17 -12.439 1.159 -4.234 1.00 1.31 C ATOM 1212 CD2 TYR B 17 -11.858 -1.061 -3.608 1.00 1.26 C ATOM 1213 CE1 TYR B 17 -11.525 1.656 -3.335 1.00 1.49 C ATOM 1214 CE2 TYR B 17 -10.938 -0.576 -2.702 1.00 1.43 C ATOM 1215 CZ TYR B 17 -10.778 0.788 -2.574 1.00 1.02 C ATOM 1216 OH TYR B 17 -9.877 1.289 -1.678 1.00 1.42 O ATOM 0 H TYR B 17 -15.483 0.657 -6.186 1.00 0.42 H new ATOM 0 HA TYR B 17 -15.373 -1.923 -5.023 1.00 0.41 H new ATOM 0 HB2 TYR B 17 -13.283 -1.723 -5.723 1.00 0.51 H new ATOM 0 HB3 TYR B 17 -13.648 -0.091 -6.246 1.00 0.51 H new ATOM 0 HD1 TYR B 17 -13.023 1.843 -4.832 1.00 1.31 H new ATOM 0 HD2 TYR B 17 -11.985 -2.128 -3.714 1.00 1.26 H new ATOM 0 HE1 TYR B 17 -11.395 2.723 -3.227 1.00 1.49 H new ATOM 0 HE2 TYR B 17 -10.351 -1.255 -2.101 1.00 1.43 H new ATOM 0 HH TYR B 17 -9.429 0.550 -1.217 1.00 1.42 H new ATOM 1226 N GLN B 18 -15.481 0.566 -2.958 1.00 0.42 N ATOM 1227 CA GLN B 18 -15.618 0.934 -1.564 1.00 0.44 C ATOM 1228 C GLN B 18 -16.830 0.249 -0.948 1.00 0.38 C ATOM 1229 O GLN B 18 -16.837 -0.059 0.240 1.00 0.38 O ATOM 1230 CB GLN B 18 -15.747 2.439 -1.441 1.00 0.52 C ATOM 1231 CG GLN B 18 -14.818 3.037 -0.411 1.00 0.97 C ATOM 1232 CD GLN B 18 -14.110 4.271 -0.921 1.00 0.84 C ATOM 1233 OE1 GLN B 18 -13.857 5.199 -0.163 1.00 0.93 O ATOM 1234 NE2 GLN B 18 -13.796 4.303 -2.214 1.00 0.87 N ATOM 0 H GLN B 18 -15.672 1.325 -3.612 1.00 0.42 H new ATOM 0 HA GLN B 18 -14.729 0.607 -1.025 1.00 0.44 H new ATOM 0 HB2 GLN B 18 -15.544 2.894 -2.410 1.00 0.52 H new ATOM 0 HB3 GLN B 18 -16.776 2.688 -1.180 1.00 0.52 H new ATOM 0 HG2 GLN B 18 -15.387 3.291 0.483 1.00 0.97 H new ATOM 0 HG3 GLN B 18 -14.078 2.292 -0.117 1.00 0.97 H new ATOM 0 HE21 GLN B 18 -14.023 3.510 -2.814 1.00 0.87 H new ATOM 0 HE22 GLN B 18 -13.328 5.121 -2.605 1.00 0.87 H new ATOM 1243 N THR B 19 -17.849 0.008 -1.766 1.00 0.39 N ATOM 1244 CA THR B 19 -19.054 -0.670 -1.311 1.00 0.38 C ATOM 1245 C THR B 19 -18.688 -2.071 -0.834 1.00 0.34 C ATOM 1246 O THR B 19 -19.219 -2.571 0.158 1.00 0.36 O ATOM 1247 CB THR B 19 -20.102 -0.756 -2.440 1.00 0.41 C ATOM 1248 OG1 THR B 19 -20.254 0.526 -3.060 1.00 0.54 O ATOM 1249 CG2 THR B 19 -21.447 -1.217 -1.910 1.00 0.45 C ATOM 0 H THR B 19 -17.863 0.274 -2.751 1.00 0.39 H new ATOM 0 HA THR B 19 -19.490 -0.099 -0.491 1.00 0.38 H new ATOM 0 HB THR B 19 -19.749 -1.485 -3.170 1.00 0.41 H new ATOM 0 HG1 THR B 19 -21.201 0.684 -3.256 1.00 0.54 H new ATOM 0 HG21 THR B 19 -22.163 -1.267 -2.730 1.00 0.45 H new ATOM 0 HG22 THR B 19 -21.342 -2.204 -1.459 1.00 0.45 H new ATOM 0 HG23 THR B 19 -21.804 -0.512 -1.159 1.00 0.45 H new ATOM 1257 N VAL B 20 -17.740 -2.680 -1.542 1.00 0.33 N ATOM 1258 CA VAL B 20 -17.259 -4.007 -1.197 1.00 0.33 C ATOM 1259 C VAL B 20 -16.403 -3.908 0.059 1.00 0.36 C ATOM 1260 O VAL B 20 -16.520 -4.726 0.971 1.00 0.40 O ATOM 1261 CB VAL B 20 -16.454 -4.634 -2.356 1.00 0.39 C ATOM 1262 CG1 VAL B 20 -16.071 -6.072 -2.043 1.00 0.40 C ATOM 1263 CG2 VAL B 20 -17.251 -4.575 -3.649 1.00 0.44 C ATOM 0 H VAL B 20 -17.291 -2.270 -2.361 1.00 0.33 H new ATOM 0 HA VAL B 20 -18.114 -4.657 -1.011 1.00 0.33 H new ATOM 0 HB VAL B 20 -15.538 -4.056 -2.478 1.00 0.39 H new ATOM 0 HG11 VAL B 20 -15.505 -6.488 -2.877 1.00 0.40 H new ATOM 0 HG12 VAL B 20 -15.460 -6.098 -1.141 1.00 0.40 H new ATOM 0 HG13 VAL B 20 -16.973 -6.663 -1.887 1.00 0.40 H new ATOM 0 HG21 VAL B 20 -16.669 -5.021 -4.456 1.00 0.44 H new ATOM 0 HG22 VAL B 20 -18.184 -5.126 -3.527 1.00 0.44 H new ATOM 0 HG23 VAL B 20 -17.472 -3.536 -3.893 1.00 0.44 H new ATOM 1273 N SER B 21 -15.557 -2.874 0.098 1.00 0.39 N ATOM 1274 CA SER B 21 -14.700 -2.600 1.239 1.00 0.45 C ATOM 1275 C SER B 21 -15.534 -2.492 2.514 1.00 0.45 C ATOM 1276 O SER B 21 -15.128 -2.955 3.583 1.00 0.52 O ATOM 1277 CB SER B 21 -13.947 -1.291 0.999 1.00 0.50 C ATOM 1278 OG SER B 21 -13.573 -0.672 2.219 1.00 1.29 O ATOM 0 H SER B 21 -15.452 -2.206 -0.666 1.00 0.39 H new ATOM 0 HA SER B 21 -13.988 -3.417 1.358 1.00 0.45 H new ATOM 0 HB2 SER B 21 -13.056 -1.487 0.402 1.00 0.50 H new ATOM 0 HB3 SER B 21 -14.574 -0.611 0.422 1.00 0.50 H new ATOM 0 HG SER B 21 -13.093 0.161 2.029 1.00 1.29 H new ATOM 1284 N ARG B 22 -16.708 -1.883 2.383 1.00 0.44 N ATOM 1285 CA ARG B 22 -17.616 -1.697 3.504 1.00 0.51 C ATOM 1286 C ARG B 22 -18.067 -3.039 4.068 1.00 0.54 C ATOM 1287 O ARG B 22 -17.908 -3.304 5.261 1.00 0.65 O ATOM 1288 CB ARG B 22 -18.834 -0.885 3.069 1.00 0.59 C ATOM 1289 CG ARG B 22 -18.524 0.551 2.679 1.00 0.72 C ATOM 1290 CD ARG B 22 -18.269 1.422 3.896 1.00 1.03 C ATOM 1291 NE ARG B 22 -18.117 2.834 3.537 1.00 1.46 N ATOM 1292 CZ ARG B 22 -17.992 3.810 4.430 1.00 2.05 C ATOM 1293 NH1 ARG B 22 -17.995 3.524 5.725 1.00 2.55 N ATOM 1294 NH2 ARG B 22 -17.868 5.071 4.030 1.00 2.66 N ATOM 0 H ARG B 22 -17.054 -1.507 1.500 1.00 0.44 H new ATOM 0 HA ARG B 22 -17.082 -1.154 4.284 1.00 0.51 H new ATOM 0 HB2 ARG B 22 -19.305 -1.385 2.223 1.00 0.59 H new ATOM 0 HB3 ARG B 22 -19.561 -0.879 3.881 1.00 0.59 H new ATOM 0 HG2 ARG B 22 -17.650 0.570 2.028 1.00 0.72 H new ATOM 0 HG3 ARG B 22 -19.357 0.960 2.107 1.00 0.72 H new ATOM 0 HD2 ARG B 22 -19.095 1.313 4.599 1.00 1.03 H new ATOM 0 HD3 ARG B 22 -17.369 1.078 4.406 1.00 1.03 H new ATOM 0 HE ARG B 22 -18.107 3.082 2.548 1.00 1.46 H new ATOM 0 HH11 ARG B 22 -18.093 2.557 6.033 1.00 2.55 H new ATOM 0 HH12 ARG B 22 -17.899 4.271 6.413 1.00 2.55 H new ATOM 0 HH21 ARG B 22 -17.869 5.293 3.034 1.00 2.66 H new ATOM 0 HH22 ARG B 22 -17.772 5.817 4.719 1.00 2.66 H new ATOM 1308 N VAL B 23 -18.604 -3.893 3.195 1.00 0.50 N ATOM 1309 CA VAL B 23 -19.089 -5.207 3.600 1.00 0.58 C ATOM 1310 C VAL B 23 -17.950 -6.040 4.174 1.00 0.62 C ATOM 1311 O VAL B 23 -18.134 -6.804 5.124 1.00 0.74 O ATOM 1312 CB VAL B 23 -19.725 -5.970 2.414 1.00 0.57 C ATOM 1313 CG1 VAL B 23 -20.460 -7.208 2.900 1.00 0.67 C ATOM 1314 CG2 VAL B 23 -20.662 -5.068 1.622 1.00 0.55 C ATOM 0 H VAL B 23 -18.713 -3.694 2.200 1.00 0.50 H new ATOM 0 HA VAL B 23 -19.852 -5.049 4.362 1.00 0.58 H new ATOM 0 HB VAL B 23 -18.920 -6.287 1.751 1.00 0.57 H new ATOM 0 HG11 VAL B 23 -20.899 -7.728 2.049 1.00 0.67 H new ATOM 0 HG12 VAL B 23 -19.760 -7.871 3.409 1.00 0.67 H new ATOM 0 HG13 VAL B 23 -21.249 -6.914 3.592 1.00 0.67 H new ATOM 0 HG21 VAL B 23 -21.095 -5.630 0.795 1.00 0.55 H new ATOM 0 HG22 VAL B 23 -21.459 -4.710 2.274 1.00 0.55 H new ATOM 0 HG23 VAL B 23 -20.104 -4.218 1.230 1.00 0.55 H new ATOM 1324 N VAL B 24 -16.770 -5.871 3.594 1.00 0.59 N ATOM 1325 CA VAL B 24 -15.586 -6.592 4.034 1.00 0.69 C ATOM 1326 C VAL B 24 -15.152 -6.137 5.432 1.00 0.76 C ATOM 1327 O VAL B 24 -14.712 -6.948 6.252 1.00 0.89 O ATOM 1328 CB VAL B 24 -14.438 -6.413 3.012 1.00 0.68 C ATOM 1329 CG1 VAL B 24 -13.074 -6.629 3.646 1.00 0.81 C ATOM 1330 CG2 VAL B 24 -14.632 -7.363 1.840 1.00 0.66 C ATOM 0 H VAL B 24 -16.608 -5.236 2.812 1.00 0.59 H new ATOM 0 HA VAL B 24 -15.832 -7.652 4.094 1.00 0.69 H new ATOM 0 HB VAL B 24 -14.471 -5.384 2.654 1.00 0.68 H new ATOM 0 HG11 VAL B 24 -12.297 -6.494 2.893 1.00 0.81 H new ATOM 0 HG12 VAL B 24 -12.929 -5.909 4.451 1.00 0.81 H new ATOM 0 HG13 VAL B 24 -13.016 -7.640 4.049 1.00 0.81 H new ATOM 0 HG21 VAL B 24 -13.820 -7.230 1.126 1.00 0.66 H new ATOM 0 HG22 VAL B 24 -14.633 -8.391 2.201 1.00 0.66 H new ATOM 0 HG23 VAL B 24 -15.583 -7.149 1.352 1.00 0.66 H new ATOM 1340 N ASN B 25 -15.303 -4.843 5.702 1.00 0.72 N ATOM 1341 CA ASN B 25 -14.932 -4.279 6.996 1.00 0.79 C ATOM 1342 C ASN B 25 -15.925 -4.700 8.078 1.00 1.20 C ATOM 1343 O ASN B 25 -15.632 -5.559 8.912 1.00 1.68 O ATOM 1344 CB ASN B 25 -14.877 -2.752 6.919 1.00 0.77 C ATOM 1345 CG ASN B 25 -13.483 -2.220 6.646 1.00 1.05 C ATOM 1346 OD1 ASN B 25 -12.668 -2.087 7.559 1.00 1.59 O ATOM 1347 ND2 ASN B 25 -13.202 -1.897 5.393 1.00 1.07 N ATOM 0 H ASN B 25 -15.680 -4.165 5.040 1.00 0.72 H new ATOM 0 HA ASN B 25 -13.945 -4.661 7.256 1.00 0.79 H new ATOM 0 HB2 ASN B 25 -15.551 -2.409 6.134 1.00 0.77 H new ATOM 0 HB3 ASN B 25 -15.242 -2.333 7.857 1.00 0.77 H new ATOM 0 HD21 ASN B 25 -12.283 -1.523 5.157 1.00 1.07 H new ATOM 0 HD22 ASN B 25 -13.905 -2.022 4.664 1.00 1.07 H new ATOM 1392 N HIS B 29 -23.489 1.505 6.160 1.00 0.98 N ATOM 1393 CA HIS B 29 -23.818 2.242 4.955 1.00 0.93 C ATOM 1394 C HIS B 29 -23.956 1.299 3.762 1.00 0.85 C ATOM 1395 O HIS B 29 -23.672 1.679 2.624 1.00 1.08 O ATOM 1396 CB HIS B 29 -22.790 3.320 4.619 1.00 1.01 C ATOM 1397 CG HIS B 29 -22.116 4.015 5.769 1.00 0.97 C ATOM 1398 ND1 HIS B 29 -21.076 4.892 5.576 1.00 1.04 N ATOM 1399 CD2 HIS B 29 -22.351 4.009 7.106 1.00 1.26 C ATOM 1400 CE1 HIS B 29 -20.701 5.393 6.730 1.00 1.07 C ATOM 1401 NE2 HIS B 29 -21.458 4.875 7.680 1.00 1.31 N ATOM 0 HA HIS B 29 -24.769 2.735 5.155 1.00 0.93 H new ATOM 0 HB2 HIS B 29 -22.016 2.866 3.999 1.00 1.01 H new ATOM 0 HB3 HIS B 29 -23.283 4.078 4.010 1.00 1.01 H new ATOM 0 HD2 HIS B 29 -23.102 3.429 7.621 1.00 1.26 H new ATOM 0 HE1 HIS B 29 -19.906 6.109 6.878 1.00 1.07 H new ATOM 0 HE2 HIS B 29 -21.389 5.085 8.676 1.00 1.31 H new ATOM 1410 N VAL B 30 -24.363 0.065 4.027 1.00 0.81 N ATOM 1411 CA VAL B 30 -24.552 -0.920 2.972 1.00 0.78 C ATOM 1412 C VAL B 30 -25.897 -1.609 3.135 1.00 0.81 C ATOM 1413 O VAL B 30 -26.079 -2.439 4.026 1.00 0.92 O ATOM 1414 CB VAL B 30 -23.443 -1.994 2.959 1.00 0.88 C ATOM 1415 CG1 VAL B 30 -23.527 -2.826 1.689 1.00 1.01 C ATOM 1416 CG2 VAL B 30 -22.071 -1.363 3.095 1.00 1.22 C ATOM 0 H VAL B 30 -24.569 -0.278 4.965 1.00 0.81 H new ATOM 0 HA VAL B 30 -24.510 -0.378 2.027 1.00 0.78 H new ATOM 0 HB VAL B 30 -23.596 -2.650 3.816 1.00 0.88 H new ATOM 0 HG11 VAL B 30 -22.739 -3.579 1.694 1.00 1.01 H new ATOM 0 HG12 VAL B 30 -24.498 -3.318 1.640 1.00 1.01 H new ATOM 0 HG13 VAL B 30 -23.404 -2.178 0.821 1.00 1.01 H new ATOM 0 HG21 VAL B 30 -21.309 -2.142 3.083 1.00 1.22 H new ATOM 0 HG22 VAL B 30 -21.902 -0.677 2.265 1.00 1.22 H new ATOM 0 HG23 VAL B 30 -22.014 -0.815 4.035 1.00 1.22 H new ATOM 1426 N SER B 31 -26.842 -1.241 2.289 1.00 0.82 N ATOM 1427 CA SER B 31 -28.165 -1.835 2.325 1.00 0.88 C ATOM 1428 C SER B 31 -28.090 -3.321 1.987 1.00 0.94 C ATOM 1429 O SER B 31 -27.161 -3.753 1.299 1.00 1.42 O ATOM 1430 CB SER B 31 -29.084 -1.115 1.344 1.00 0.90 C ATOM 1431 OG SER B 31 -28.330 -0.435 0.354 1.00 0.83 O ATOM 0 H SER B 31 -26.717 -0.532 1.567 1.00 0.82 H new ATOM 0 HA SER B 31 -28.571 -1.731 3.331 1.00 0.88 H new ATOM 0 HB2 SER B 31 -29.751 -1.834 0.869 1.00 0.90 H new ATOM 0 HB3 SER B 31 -29.712 -0.404 1.881 1.00 0.90 H new ATOM 0 HG SER B 31 -27.976 -1.083 -0.290 1.00 0.83 H new ATOM 1437 N ALA B 32 -29.059 -4.092 2.469 1.00 0.88 N ATOM 1438 CA ALA B 32 -29.105 -5.535 2.225 1.00 0.92 C ATOM 1439 C ALA B 32 -28.945 -5.863 0.741 1.00 0.86 C ATOM 1440 O ALA B 32 -28.228 -6.797 0.381 1.00 0.88 O ATOM 1441 CB ALA B 32 -30.399 -6.124 2.762 1.00 1.07 C ATOM 0 H ALA B 32 -29.831 -3.741 3.036 1.00 0.88 H new ATOM 0 HA ALA B 32 -28.265 -5.985 2.755 1.00 0.92 H new ATOM 0 HB1 ALA B 32 -30.417 -7.197 2.572 1.00 1.07 H new ATOM 0 HB2 ALA B 32 -30.463 -5.944 3.835 1.00 1.07 H new ATOM 0 HB3 ALA B 32 -31.247 -5.654 2.264 1.00 1.07 H new ATOM 1447 N LYS B 33 -29.600 -5.073 -0.109 1.00 0.85 N ATOM 1448 CA LYS B 33 -29.529 -5.267 -1.556 1.00 0.87 C ATOM 1449 C LYS B 33 -28.079 -5.187 -2.039 1.00 0.79 C ATOM 1450 O LYS B 33 -27.589 -6.092 -2.715 1.00 0.86 O ATOM 1451 CB LYS B 33 -30.368 -4.211 -2.276 1.00 0.95 C ATOM 1452 CG LYS B 33 -31.855 -4.289 -1.966 1.00 1.51 C ATOM 1453 CD LYS B 33 -32.623 -3.183 -2.668 1.00 1.82 C ATOM 1454 CE LYS B 33 -32.261 -1.809 -2.123 1.00 2.55 C ATOM 1455 NZ LYS B 33 -32.754 -0.720 -3.009 1.00 3.30 N ATOM 0 H LYS B 33 -30.187 -4.291 0.181 1.00 0.85 H new ATOM 0 HA LYS B 33 -29.925 -6.256 -1.786 1.00 0.87 H new ATOM 0 HB2 LYS B 33 -30.001 -3.222 -2.003 1.00 0.95 H new ATOM 0 HB3 LYS B 33 -30.225 -4.318 -3.351 1.00 0.95 H new ATOM 0 HG2 LYS B 33 -32.243 -5.259 -2.277 1.00 1.51 H new ATOM 0 HG3 LYS B 33 -32.009 -4.215 -0.889 1.00 1.51 H new ATOM 0 HD2 LYS B 33 -32.413 -3.217 -3.737 1.00 1.82 H new ATOM 0 HD3 LYS B 33 -33.693 -3.351 -2.548 1.00 1.82 H new ATOM 0 HE2 LYS B 33 -32.686 -1.689 -1.127 1.00 2.55 H new ATOM 0 HE3 LYS B 33 -31.179 -1.732 -2.019 1.00 2.55 H new ATOM 0 HZ1 LYS B 33 -32.489 0.202 -2.606 1.00 3.30 H new ATOM 0 HZ2 LYS B 33 -32.329 -0.821 -3.953 1.00 3.30 H new ATOM 0 HZ3 LYS B 33 -33.789 -0.779 -3.088 1.00 3.30 H new ATOM 1469 N THR B 34 -27.399 -4.104 -1.673 1.00 0.68 N ATOM 1470 CA THR B 34 -26.010 -3.897 -2.056 1.00 0.61 C ATOM 1471 C THR B 34 -25.108 -4.969 -1.451 1.00 0.57 C ATOM 1472 O THR B 34 -24.180 -5.451 -2.103 1.00 0.54 O ATOM 1473 CB THR B 34 -25.521 -2.513 -1.602 1.00 0.64 C ATOM 1474 OG1 THR B 34 -26.641 -1.711 -1.210 1.00 0.79 O ATOM 1475 CG2 THR B 34 -24.768 -1.818 -2.719 1.00 0.73 C ATOM 0 H THR B 34 -27.793 -3.352 -1.107 1.00 0.68 H new ATOM 0 HA THR B 34 -25.959 -3.961 -3.143 1.00 0.61 H new ATOM 0 HB THR B 34 -24.847 -2.644 -0.755 1.00 0.64 H new ATOM 0 HG1 THR B 34 -26.349 -0.786 -1.073 1.00 0.79 H new ATOM 0 HG21 THR B 34 -24.431 -0.840 -2.377 1.00 0.73 H new ATOM 0 HG22 THR B 34 -23.905 -2.420 -3.006 1.00 0.73 H new ATOM 0 HG23 THR B 34 -25.426 -1.694 -3.579 1.00 0.73 H new ATOM 1483 N ARG B 35 -25.399 -5.341 -0.208 1.00 0.61 N ATOM 1484 CA ARG B 35 -24.630 -6.357 0.500 1.00 0.61 C ATOM 1485 C ARG B 35 -24.701 -7.691 -0.238 1.00 0.60 C ATOM 1486 O ARG B 35 -23.686 -8.363 -0.441 1.00 0.60 O ATOM 1487 CB ARG B 35 -25.170 -6.514 1.924 1.00 0.69 C ATOM 1488 CG ARG B 35 -24.354 -7.457 2.791 1.00 0.89 C ATOM 1489 CD ARG B 35 -25.193 -8.039 3.920 1.00 1.00 C ATOM 1490 NE ARG B 35 -26.196 -8.983 3.427 1.00 1.71 N ATOM 1491 CZ ARG B 35 -27.461 -9.025 3.847 1.00 2.09 C ATOM 1492 NH1 ARG B 35 -27.896 -8.181 4.775 1.00 1.87 N ATOM 1493 NH2 ARG B 35 -28.290 -9.921 3.331 1.00 3.21 N ATOM 0 H ARG B 35 -26.170 -4.949 0.333 1.00 0.61 H new ATOM 0 HA ARG B 35 -23.587 -6.042 0.544 1.00 0.61 H new ATOM 0 HB2 ARG B 35 -25.202 -5.534 2.400 1.00 0.69 H new ATOM 0 HB3 ARG B 35 -26.196 -6.878 1.875 1.00 0.69 H new ATOM 0 HG2 ARG B 35 -23.956 -8.265 2.177 1.00 0.89 H new ATOM 0 HG3 ARG B 35 -23.500 -6.923 3.208 1.00 0.89 H new ATOM 0 HD2 ARG B 35 -24.541 -8.543 4.634 1.00 1.00 H new ATOM 0 HD3 ARG B 35 -25.689 -7.230 4.457 1.00 1.00 H new ATOM 0 HE ARG B 35 -25.909 -9.654 2.714 1.00 1.71 H new ATOM 0 HH11 ARG B 35 -27.260 -7.491 5.175 1.00 1.87 H new ATOM 0 HH12 ARG B 35 -28.866 -8.223 5.088 1.00 1.87 H new ATOM 0 HH21 ARG B 35 -27.959 -10.571 2.618 1.00 3.21 H new ATOM 0 HH22 ARG B 35 -29.259 -9.960 3.646 1.00 3.21 H new ATOM 1507 N GLU B 36 -25.911 -8.053 -0.650 1.00 0.63 N ATOM 1508 CA GLU B 36 -26.142 -9.298 -1.372 1.00 0.67 C ATOM 1509 C GLU B 36 -25.454 -9.284 -2.731 1.00 0.62 C ATOM 1510 O GLU B 36 -24.913 -10.298 -3.165 1.00 0.65 O ATOM 1511 CB GLU B 36 -27.637 -9.538 -1.545 1.00 0.75 C ATOM 1512 CG GLU B 36 -28.315 -10.032 -0.280 1.00 0.84 C ATOM 1513 CD GLU B 36 -27.723 -11.332 0.225 1.00 1.38 C ATOM 1514 OE1 GLU B 36 -27.765 -12.336 -0.520 1.00 2.09 O ATOM 1515 OE2 GLU B 36 -27.211 -11.360 1.364 1.00 1.98 O ATOM 0 H GLU B 36 -26.752 -7.497 -0.495 1.00 0.63 H new ATOM 0 HA GLU B 36 -25.715 -10.111 -0.784 1.00 0.67 H new ATOM 0 HB2 GLU B 36 -28.112 -8.611 -1.866 1.00 0.75 H new ATOM 0 HB3 GLU B 36 -27.791 -10.267 -2.340 1.00 0.75 H new ATOM 0 HG2 GLU B 36 -28.228 -9.271 0.496 1.00 0.84 H new ATOM 0 HG3 GLU B 36 -29.379 -10.171 -0.472 1.00 0.84 H new ATOM 1522 N LYS B 37 -25.477 -8.135 -3.402 1.00 0.58 N ATOM 1523 CA LYS B 37 -24.839 -8.004 -4.708 1.00 0.56 C ATOM 1524 C LYS B 37 -23.344 -8.277 -4.598 1.00 0.48 C ATOM 1525 O LYS B 37 -22.776 -9.023 -5.396 1.00 0.49 O ATOM 1526 CB LYS B 37 -25.056 -6.607 -5.293 1.00 0.58 C ATOM 1527 CG LYS B 37 -26.501 -6.289 -5.614 1.00 1.00 C ATOM 1528 CD LYS B 37 -26.624 -4.908 -6.225 1.00 1.13 C ATOM 1529 CE LYS B 37 -28.075 -4.514 -6.428 1.00 1.31 C ATOM 1530 NZ LYS B 37 -28.191 -3.197 -7.108 1.00 1.66 N ATOM 0 H LYS B 37 -25.929 -7.285 -3.064 1.00 0.58 H new ATOM 0 HA LYS B 37 -25.296 -8.737 -5.373 1.00 0.56 H new ATOM 0 HB2 LYS B 37 -24.681 -5.867 -4.587 1.00 0.58 H new ATOM 0 HB3 LYS B 37 -24.463 -6.509 -6.202 1.00 0.58 H new ATOM 0 HG2 LYS B 37 -26.898 -7.034 -6.304 1.00 1.00 H new ATOM 0 HG3 LYS B 37 -27.101 -6.345 -4.706 1.00 1.00 H new ATOM 0 HD2 LYS B 37 -26.135 -4.179 -5.579 1.00 1.13 H new ATOM 0 HD3 LYS B 37 -26.103 -4.885 -7.182 1.00 1.13 H new ATOM 0 HE2 LYS B 37 -28.581 -5.276 -7.020 1.00 1.31 H new ATOM 0 HE3 LYS B 37 -28.580 -4.472 -5.463 1.00 1.31 H new ATOM 0 HZ1 LYS B 37 -29.195 -2.957 -7.231 1.00 1.66 H new ATOM 0 HZ2 LYS B 37 -27.729 -2.466 -6.530 1.00 1.66 H new ATOM 0 HZ3 LYS B 37 -27.730 -3.245 -8.039 1.00 1.66 H new ATOM 1544 N VAL B 38 -22.722 -7.675 -3.590 1.00 0.43 N ATOM 1545 CA VAL B 38 -21.295 -7.838 -3.356 1.00 0.37 C ATOM 1546 C VAL B 38 -20.967 -9.290 -3.001 1.00 0.39 C ATOM 1547 O VAL B 38 -20.082 -9.902 -3.605 1.00 0.37 O ATOM 1548 CB VAL B 38 -20.813 -6.902 -2.227 1.00 0.36 C ATOM 1549 CG1 VAL B 38 -19.349 -7.141 -1.913 1.00 0.36 C ATOM 1550 CG2 VAL B 38 -21.056 -5.448 -2.602 1.00 0.38 C ATOM 0 H VAL B 38 -23.189 -7.066 -2.918 1.00 0.43 H new ATOM 0 HA VAL B 38 -20.774 -7.574 -4.276 1.00 0.37 H new ATOM 0 HB VAL B 38 -21.388 -7.126 -1.329 1.00 0.36 H new ATOM 0 HG11 VAL B 38 -19.034 -6.469 -1.115 1.00 0.36 H new ATOM 0 HG12 VAL B 38 -19.209 -8.174 -1.595 1.00 0.36 H new ATOM 0 HG13 VAL B 38 -18.750 -6.952 -2.804 1.00 0.36 H new ATOM 0 HG21 VAL B 38 -20.711 -4.802 -1.795 1.00 0.38 H new ATOM 0 HG22 VAL B 38 -20.510 -5.212 -3.515 1.00 0.38 H new ATOM 0 HG23 VAL B 38 -22.122 -5.287 -2.764 1.00 0.38 H new ATOM 1560 N GLU B 39 -21.691 -9.832 -2.026 1.00 0.45 N ATOM 1561 CA GLU B 39 -21.495 -11.212 -1.591 1.00 0.50 C ATOM 1562 C GLU B 39 -21.668 -12.186 -2.755 1.00 0.53 C ATOM 1563 O GLU B 39 -20.878 -13.119 -2.917 1.00 0.55 O ATOM 1564 CB GLU B 39 -22.476 -11.559 -0.471 1.00 0.59 C ATOM 1565 CG GLU B 39 -22.119 -10.926 0.864 1.00 0.63 C ATOM 1566 CD GLU B 39 -21.104 -11.742 1.637 1.00 1.12 C ATOM 1567 OE1 GLU B 39 -19.928 -11.783 1.227 1.00 1.76 O ATOM 1568 OE2 GLU B 39 -21.484 -12.355 2.658 1.00 1.79 O ATOM 0 H GLU B 39 -22.423 -9.334 -1.520 1.00 0.45 H new ATOM 0 HA GLU B 39 -20.476 -11.304 -1.216 1.00 0.50 H new ATOM 0 HB2 GLU B 39 -23.476 -11.236 -0.761 1.00 0.59 H new ATOM 0 HB3 GLU B 39 -22.512 -12.642 -0.353 1.00 0.59 H new ATOM 0 HG2 GLU B 39 -21.723 -9.925 0.694 1.00 0.63 H new ATOM 0 HG3 GLU B 39 -23.023 -10.814 1.463 1.00 0.63 H new ATOM 1575 N ALA B 40 -22.694 -11.960 -3.567 1.00 0.55 N ATOM 1576 CA ALA B 40 -22.966 -12.813 -4.716 1.00 0.61 C ATOM 1577 C ALA B 40 -21.860 -12.695 -5.757 1.00 0.53 C ATOM 1578 O ALA B 40 -21.457 -13.688 -6.362 1.00 0.55 O ATOM 1579 CB ALA B 40 -24.312 -12.466 -5.328 1.00 0.70 C ATOM 0 H ALA B 40 -23.353 -11.190 -3.450 1.00 0.55 H new ATOM 0 HA ALA B 40 -22.997 -13.847 -4.371 1.00 0.61 H new ATOM 0 HB1 ALA B 40 -24.499 -13.113 -6.185 1.00 0.70 H new ATOM 0 HB2 ALA B 40 -25.097 -12.610 -4.586 1.00 0.70 H new ATOM 0 HB3 ALA B 40 -24.307 -11.426 -5.653 1.00 0.70 H new ATOM 1585 N ALA B 41 -21.360 -11.479 -5.954 1.00 0.47 N ATOM 1586 CA ALA B 41 -20.291 -11.243 -6.917 1.00 0.43 C ATOM 1587 C ALA B 41 -19.028 -11.985 -6.508 1.00 0.38 C ATOM 1588 O ALA B 41 -18.271 -12.458 -7.354 1.00 0.39 O ATOM 1589 CB ALA B 41 -20.019 -9.754 -7.070 1.00 0.42 C ATOM 0 H ALA B 41 -21.677 -10.644 -5.461 1.00 0.47 H new ATOM 0 HA ALA B 41 -20.613 -11.627 -7.885 1.00 0.43 H new ATOM 0 HB1 ALA B 41 -19.218 -9.603 -7.793 1.00 0.42 H new ATOM 0 HB2 ALA B 41 -20.922 -9.253 -7.419 1.00 0.42 H new ATOM 0 HB3 ALA B 41 -19.722 -9.338 -6.107 1.00 0.42 H new ATOM 1595 N MET B 42 -18.823 -12.103 -5.201 1.00 0.38 N ATOM 1596 CA MET B 42 -17.667 -12.811 -4.662 1.00 0.40 C ATOM 1597 C MET B 42 -17.737 -14.283 -5.051 1.00 0.45 C ATOM 1598 O MET B 42 -16.719 -14.974 -5.125 1.00 0.52 O ATOM 1599 CB MET B 42 -17.615 -12.685 -3.136 1.00 0.44 C ATOM 1600 CG MET B 42 -17.334 -11.278 -2.643 1.00 0.41 C ATOM 1601 SD MET B 42 -17.041 -11.209 -0.865 1.00 0.51 S ATOM 1602 CE MET B 42 -16.934 -9.442 -0.612 1.00 0.46 C ATOM 0 H MET B 42 -19.445 -11.716 -4.492 1.00 0.38 H new ATOM 0 HA MET B 42 -16.764 -12.364 -5.079 1.00 0.40 H new ATOM 0 HB2 MET B 42 -18.565 -13.021 -2.721 1.00 0.44 H new ATOM 0 HB3 MET B 42 -16.845 -13.354 -2.752 1.00 0.44 H new ATOM 0 HG2 MET B 42 -16.464 -10.881 -3.166 1.00 0.41 H new ATOM 0 HG3 MET B 42 -18.177 -10.634 -2.893 1.00 0.41 H new ATOM 0 HE1 MET B 42 -15.999 -9.203 -0.105 1.00 0.46 H new ATOM 0 HE2 MET B 42 -16.964 -8.934 -1.576 1.00 0.46 H new ATOM 0 HE3 MET B 42 -17.774 -9.110 -0.001 1.00 0.46 H new ATOM 1612 N ALA B 43 -18.948 -14.749 -5.319 1.00 0.46 N ATOM 1613 CA ALA B 43 -19.168 -16.132 -5.703 1.00 0.53 C ATOM 1614 C ALA B 43 -19.056 -16.284 -7.215 1.00 0.55 C ATOM 1615 O ALA B 43 -18.537 -17.282 -7.711 1.00 0.62 O ATOM 1616 CB ALA B 43 -20.528 -16.604 -5.221 1.00 0.61 C ATOM 0 H ALA B 43 -19.796 -14.184 -5.277 1.00 0.46 H new ATOM 0 HA ALA B 43 -18.402 -16.750 -5.235 1.00 0.53 H new ATOM 0 HB1 ALA B 43 -20.678 -17.642 -5.516 1.00 0.61 H new ATOM 0 HB2 ALA B 43 -20.577 -16.525 -4.135 1.00 0.61 H new ATOM 0 HB3 ALA B 43 -21.307 -15.984 -5.665 1.00 0.61 H new ATOM 1622 N GLU B 44 -19.540 -15.279 -7.939 1.00 0.54 N ATOM 1623 CA GLU B 44 -19.495 -15.278 -9.397 1.00 0.58 C ATOM 1624 C GLU B 44 -18.061 -15.200 -9.888 1.00 0.59 C ATOM 1625 O GLU B 44 -17.649 -15.948 -10.770 1.00 0.68 O ATOM 1626 CB GLU B 44 -20.276 -14.087 -9.943 1.00 0.58 C ATOM 1627 CG GLU B 44 -21.766 -14.174 -9.687 1.00 0.63 C ATOM 1628 CD GLU B 44 -22.430 -15.248 -10.523 1.00 0.84 C ATOM 1629 OE1 GLU B 44 -21.945 -15.528 -11.640 1.00 1.55 O ATOM 1630 OE2 GLU B 44 -23.445 -15.814 -10.070 1.00 1.29 O ATOM 0 H GLU B 44 -19.972 -14.448 -7.535 1.00 0.54 H new ATOM 0 HA GLU B 44 -19.944 -16.206 -9.752 1.00 0.58 H new ATOM 0 HB2 GLU B 44 -19.891 -13.172 -9.492 1.00 0.58 H new ATOM 0 HB3 GLU B 44 -20.104 -14.011 -11.017 1.00 0.58 H new ATOM 0 HG2 GLU B 44 -21.940 -14.379 -8.631 1.00 0.63 H new ATOM 0 HG3 GLU B 44 -22.227 -13.210 -9.904 1.00 0.63 H new ATOM 1637 N LEU B 45 -17.312 -14.271 -9.316 1.00 0.52 N ATOM 1638 CA LEU B 45 -15.913 -14.079 -9.683 1.00 0.55 C ATOM 1639 C LEU B 45 -15.009 -15.122 -9.034 1.00 0.55 C ATOM 1640 O LEU B 45 -13.912 -15.383 -9.530 1.00 0.63 O ATOM 1641 CB LEU B 45 -15.412 -12.698 -9.234 1.00 0.51 C ATOM 1642 CG LEU B 45 -15.801 -11.491 -10.098 1.00 0.60 C ATOM 1643 CD1 LEU B 45 -16.457 -11.907 -11.401 1.00 0.97 C ATOM 1644 CD2 LEU B 45 -16.714 -10.569 -9.322 1.00 0.99 C ATOM 0 H LEU B 45 -17.648 -13.635 -8.593 1.00 0.52 H new ATOM 0 HA LEU B 45 -15.868 -14.173 -10.768 1.00 0.55 H new ATOM 0 HB2 LEU B 45 -15.777 -12.520 -8.222 1.00 0.51 H new ATOM 0 HB3 LEU B 45 -14.324 -12.736 -9.178 1.00 0.51 H new ATOM 0 HG LEU B 45 -14.883 -10.962 -10.353 1.00 0.60 H new ATOM 0 HD11 LEU B 45 -16.714 -11.019 -11.978 1.00 0.97 H new ATOM 0 HD12 LEU B 45 -15.767 -12.525 -11.975 1.00 0.97 H new ATOM 0 HD13 LEU B 45 -17.362 -12.476 -11.187 1.00 0.97 H new ATOM 0 HD21 LEU B 45 -16.984 -9.716 -9.944 1.00 0.99 H new ATOM 0 HD22 LEU B 45 -17.617 -11.108 -9.034 1.00 0.99 H new ATOM 0 HD23 LEU B 45 -16.201 -10.217 -8.427 1.00 0.99 H new ATOM 1656 N ASN B 46 -15.487 -15.715 -7.934 1.00 0.53 N ATOM 1657 CA ASN B 46 -14.701 -16.673 -7.152 1.00 0.59 C ATOM 1658 C ASN B 46 -13.580 -15.883 -6.490 1.00 0.54 C ATOM 1659 O ASN B 46 -12.397 -16.172 -6.642 1.00 0.59 O ATOM 1660 CB ASN B 46 -14.157 -17.826 -8.014 1.00 0.71 C ATOM 1661 CG ASN B 46 -13.465 -18.905 -7.196 1.00 1.02 C ATOM 1662 OD1 ASN B 46 -12.241 -19.033 -7.223 1.00 1.77 O ATOM 1663 ND2 ASN B 46 -14.242 -19.689 -6.463 1.00 1.40 N ATOM 0 H ASN B 46 -16.422 -15.545 -7.564 1.00 0.53 H new ATOM 0 HA ASN B 46 -15.330 -17.154 -6.403 1.00 0.59 H new ATOM 0 HB2 ASN B 46 -14.979 -18.273 -8.573 1.00 0.71 H new ATOM 0 HB3 ASN B 46 -13.455 -17.426 -8.745 1.00 0.71 H new ATOM 0 HD21 ASN B 46 -13.829 -20.429 -5.895 1.00 1.40 H new ATOM 0 HD22 ASN B 46 -15.253 -19.552 -6.466 1.00 1.40 H new ATOM 1670 N TYR B 47 -14.007 -14.843 -5.782 1.00 0.48 N ATOM 1671 CA TYR B 47 -13.119 -13.900 -5.109 1.00 0.46 C ATOM 1672 C TYR B 47 -12.100 -14.579 -4.197 1.00 0.52 C ATOM 1673 O TYR B 47 -12.434 -15.117 -3.140 1.00 0.58 O ATOM 1674 CB TYR B 47 -13.961 -12.879 -4.322 1.00 0.43 C ATOM 1675 CG TYR B 47 -13.175 -11.850 -3.521 1.00 0.42 C ATOM 1676 CD1 TYR B 47 -11.870 -11.504 -3.852 1.00 1.31 C ATOM 1677 CD2 TYR B 47 -13.753 -11.223 -2.424 1.00 1.20 C ATOM 1678 CE1 TYR B 47 -11.165 -10.574 -3.111 1.00 1.33 C ATOM 1679 CE2 TYR B 47 -13.056 -10.287 -1.681 1.00 1.21 C ATOM 1680 CZ TYR B 47 -11.761 -9.969 -2.027 1.00 0.46 C ATOM 1681 OH TYR B 47 -11.058 -9.047 -1.282 1.00 0.51 O ATOM 0 H TYR B 47 -14.996 -14.627 -5.657 1.00 0.48 H new ATOM 0 HA TYR B 47 -12.539 -13.391 -5.879 1.00 0.46 H new ATOM 0 HB2 TYR B 47 -14.606 -12.350 -5.024 1.00 0.43 H new ATOM 0 HB3 TYR B 47 -14.613 -13.423 -3.638 1.00 0.43 H new ATOM 0 HD1 TYR B 47 -11.398 -11.971 -4.704 1.00 1.31 H new ATOM 0 HD2 TYR B 47 -14.767 -11.471 -2.146 1.00 1.20 H new ATOM 0 HE1 TYR B 47 -10.150 -10.323 -3.381 1.00 1.33 H new ATOM 0 HE2 TYR B 47 -13.525 -9.808 -0.834 1.00 1.21 H new ATOM 0 HH TYR B 47 -11.643 -8.668 -0.594 1.00 0.51 H new ATOM 1691 N ILE B 48 -10.856 -14.543 -4.640 1.00 0.56 N ATOM 1692 CA ILE B 48 -9.743 -15.072 -3.875 1.00 0.64 C ATOM 1693 C ILE B 48 -8.901 -13.885 -3.422 1.00 0.59 C ATOM 1694 O ILE B 48 -8.068 -13.389 -4.181 1.00 0.58 O ATOM 1695 CB ILE B 48 -8.872 -16.049 -4.692 1.00 0.73 C ATOM 1696 CG1 ILE B 48 -9.721 -17.207 -5.223 1.00 0.83 C ATOM 1697 CG2 ILE B 48 -7.725 -16.575 -3.840 1.00 0.84 C ATOM 1698 CD1 ILE B 48 -10.418 -18.010 -4.140 1.00 1.28 C ATOM 0 H ILE B 48 -10.590 -14.146 -5.541 1.00 0.56 H new ATOM 0 HA ILE B 48 -10.132 -15.640 -3.030 1.00 0.64 H new ATOM 0 HB ILE B 48 -8.453 -15.512 -5.543 1.00 0.73 H new ATOM 0 HG12 ILE B 48 -10.472 -16.810 -5.906 1.00 0.83 H new ATOM 0 HG13 ILE B 48 -9.084 -17.875 -5.803 1.00 0.83 H new ATOM 0 HG21 ILE B 48 -7.119 -17.263 -4.430 1.00 0.84 H new ATOM 0 HG22 ILE B 48 -7.107 -15.741 -3.507 1.00 0.84 H new ATOM 0 HG23 ILE B 48 -8.127 -17.098 -2.972 1.00 0.84 H new ATOM 0 HD11 ILE B 48 -10.999 -18.811 -4.598 1.00 1.28 H new ATOM 0 HD12 ILE B 48 -9.674 -18.439 -3.469 1.00 1.28 H new ATOM 0 HD13 ILE B 48 -11.083 -17.357 -3.574 1.00 1.28 H new ATOM 1710 N PRO B 49 -9.143 -13.422 -2.178 1.00 0.62 N ATOM 1711 CA PRO B 49 -8.490 -12.251 -1.570 1.00 0.64 C ATOM 1712 C PRO B 49 -7.059 -11.986 -2.038 1.00 0.60 C ATOM 1713 O PRO B 49 -6.211 -12.887 -2.069 1.00 0.66 O ATOM 1714 CB PRO B 49 -8.530 -12.603 -0.091 1.00 0.80 C ATOM 1715 CG PRO B 49 -9.839 -13.302 0.063 1.00 0.83 C ATOM 1716 CD PRO B 49 -10.068 -14.057 -1.222 1.00 0.72 C ATOM 0 HA PRO B 49 -8.996 -11.325 -1.845 1.00 0.64 H new ATOM 0 HB2 PRO B 49 -7.696 -13.245 0.192 1.00 0.80 H new ATOM 0 HB3 PRO B 49 -8.474 -11.713 0.536 1.00 0.80 H new ATOM 0 HG2 PRO B 49 -9.819 -13.981 0.915 1.00 0.83 H new ATOM 0 HG3 PRO B 49 -10.643 -12.588 0.243 1.00 0.83 H new ATOM 0 HD2 PRO B 49 -9.854 -15.119 -1.105 1.00 0.72 H new ATOM 0 HD3 PRO B 49 -11.103 -13.976 -1.554 1.00 0.72 H new ATOM 1724 N ASN B 50 -6.817 -10.733 -2.416 1.00 0.57 N ATOM 1725 CA ASN B 50 -5.503 -10.278 -2.871 1.00 0.58 C ATOM 1726 C ASN B 50 -4.547 -10.192 -1.687 1.00 0.60 C ATOM 1727 O ASN B 50 -4.112 -9.107 -1.323 1.00 0.71 O ATOM 1728 CB ASN B 50 -5.622 -8.894 -3.529 1.00 0.74 C ATOM 1729 CG ASN B 50 -5.789 -8.955 -5.036 1.00 0.87 C ATOM 1730 OD1 ASN B 50 -6.175 -9.982 -5.595 1.00 1.64 O ATOM 1731 ND2 ASN B 50 -5.513 -7.841 -5.700 1.00 0.68 N ATOM 0 H ASN B 50 -7.528 -10.002 -2.416 1.00 0.57 H new ATOM 0 HA ASN B 50 -5.118 -10.991 -3.600 1.00 0.58 H new ATOM 0 HB2 ASN B 50 -6.473 -8.367 -3.098 1.00 0.74 H new ATOM 0 HB3 ASN B 50 -4.732 -8.310 -3.293 1.00 0.74 H new ATOM 0 HD21 ASN B 50 -5.618 -7.812 -6.714 1.00 0.68 H new ATOM 0 HD22 ASN B 50 -5.196 -7.013 -5.197 1.00 0.68 H new ATOM 1738 N ARG B 51 -4.228 -11.349 -1.111 1.00 0.72 N ATOM 1739 CA ARG B 51 -3.349 -11.459 0.061 1.00 0.84 C ATOM 1740 C ARG B 51 -2.114 -10.560 -0.012 1.00 0.76 C ATOM 1741 O ARG B 51 -1.770 -9.900 0.967 1.00 0.85 O ATOM 1742 CB ARG B 51 -2.914 -12.912 0.252 1.00 1.06 C ATOM 1743 CG ARG B 51 -4.072 -13.876 0.455 1.00 1.68 C ATOM 1744 CD ARG B 51 -4.909 -13.507 1.668 1.00 2.18 C ATOM 1745 NE ARG B 51 -6.053 -14.402 1.825 1.00 2.97 N ATOM 1746 CZ ARG B 51 -7.019 -14.224 2.720 1.00 3.81 C ATOM 1747 NH1 ARG B 51 -6.976 -13.199 3.564 1.00 4.03 N ATOM 1748 NH2 ARG B 51 -8.035 -15.069 2.775 1.00 4.76 N ATOM 0 H ARG B 51 -4.574 -12.249 -1.445 1.00 0.72 H new ATOM 0 HA ARG B 51 -3.934 -11.118 0.915 1.00 0.84 H new ATOM 0 HB2 ARG B 51 -2.339 -13.227 -0.619 1.00 1.06 H new ATOM 0 HB3 ARG B 51 -2.248 -12.972 1.113 1.00 1.06 H new ATOM 0 HG2 ARG B 51 -4.702 -13.879 -0.434 1.00 1.68 H new ATOM 0 HG3 ARG B 51 -3.685 -14.888 0.575 1.00 1.68 H new ATOM 0 HD2 ARG B 51 -4.289 -13.547 2.564 1.00 2.18 H new ATOM 0 HD3 ARG B 51 -5.261 -12.480 1.569 1.00 2.18 H new ATOM 0 HE ARG B 51 -6.114 -15.213 1.210 1.00 2.97 H new ATOM 0 HH11 ARG B 51 -6.197 -12.541 3.528 1.00 4.03 H new ATOM 0 HH12 ARG B 51 -7.722 -13.070 4.248 1.00 4.03 H new ATOM 0 HH21 ARG B 51 -8.078 -15.858 2.130 1.00 4.76 H new ATOM 0 HH22 ARG B 51 -8.776 -14.932 3.462 1.00 4.76 H new ATOM 1762 N CYS B 52 -1.470 -10.510 -1.169 1.00 0.66 N ATOM 1763 CA CYS B 52 -0.269 -9.701 -1.337 1.00 0.62 C ATOM 1764 C CYS B 52 -0.526 -8.224 -1.042 1.00 0.58 C ATOM 1765 O CYS B 52 0.143 -7.623 -0.205 1.00 0.61 O ATOM 1766 CB CYS B 52 0.282 -9.859 -2.756 1.00 0.66 C ATOM 1767 SG CYS B 52 0.662 -11.580 -3.234 1.00 0.70 S ATOM 0 H CYS B 52 -1.758 -11.019 -2.005 1.00 0.66 H new ATOM 0 HA CYS B 52 0.466 -10.060 -0.617 1.00 0.62 H new ATOM 0 HB2 CYS B 52 -0.442 -9.451 -3.461 1.00 0.66 H new ATOM 0 HB3 CYS B 52 1.189 -9.261 -2.849 1.00 0.66 H new ATOM 1772 N ALA B 53 -1.507 -7.654 -1.720 1.00 0.54 N ATOM 1773 CA ALA B 53 -1.843 -6.252 -1.544 1.00 0.52 C ATOM 1774 C ALA B 53 -2.681 -6.019 -0.289 1.00 0.51 C ATOM 1775 O ALA B 53 -2.615 -4.949 0.311 1.00 0.52 O ATOM 1776 CB ALA B 53 -2.551 -5.739 -2.786 1.00 0.53 C ATOM 0 H ALA B 53 -2.087 -8.144 -2.401 1.00 0.54 H new ATOM 0 HA ALA B 53 -0.918 -5.692 -1.406 1.00 0.52 H new ATOM 0 HB1 ALA B 53 -2.803 -4.687 -2.653 1.00 0.53 H new ATOM 0 HB2 ALA B 53 -1.896 -5.849 -3.650 1.00 0.53 H new ATOM 0 HB3 ALA B 53 -3.464 -6.313 -2.948 1.00 0.53 H new ATOM 1782 N GLN B 54 -3.443 -7.028 0.126 1.00 0.52 N ATOM 1783 CA GLN B 54 -4.295 -6.910 1.308 1.00 0.53 C ATOM 1784 C GLN B 54 -3.482 -6.913 2.597 1.00 0.58 C ATOM 1785 O GLN B 54 -3.714 -6.092 3.482 1.00 0.65 O ATOM 1786 CB GLN B 54 -5.331 -8.029 1.346 1.00 0.54 C ATOM 1787 CG GLN B 54 -6.519 -7.787 0.432 1.00 0.48 C ATOM 1788 CD GLN B 54 -7.682 -8.705 0.754 1.00 0.76 C ATOM 1789 OE1 GLN B 54 -7.489 -9.841 1.179 1.00 1.49 O ATOM 1790 NE2 GLN B 54 -8.895 -8.224 0.559 1.00 0.64 N ATOM 0 H GLN B 54 -3.488 -7.936 -0.337 1.00 0.52 H new ATOM 0 HA GLN B 54 -4.808 -5.951 1.235 1.00 0.53 H new ATOM 0 HB2 GLN B 54 -4.852 -8.967 1.065 1.00 0.54 H new ATOM 0 HB3 GLN B 54 -5.688 -8.148 2.369 1.00 0.54 H new ATOM 0 HG2 GLN B 54 -6.841 -6.749 0.523 1.00 0.48 H new ATOM 0 HG3 GLN B 54 -6.215 -7.937 -0.604 1.00 0.48 H new ATOM 0 HE21 GLN B 54 -9.017 -7.275 0.205 1.00 0.64 H new ATOM 0 HE22 GLN B 54 -9.711 -8.801 0.763 1.00 0.64 H new ATOM 1799 N GLN B 55 -2.534 -7.839 2.711 1.00 0.57 N ATOM 1800 CA GLN B 55 -1.691 -7.914 3.905 1.00 0.62 C ATOM 1801 C GLN B 55 -0.769 -6.713 3.952 1.00 0.60 C ATOM 1802 O GLN B 55 -0.344 -6.278 5.022 1.00 0.66 O ATOM 1803 CB GLN B 55 -0.887 -9.216 3.941 1.00 0.65 C ATOM 1804 CG GLN B 55 -1.753 -10.451 4.130 1.00 1.19 C ATOM 1805 CD GLN B 55 -2.769 -10.294 5.247 1.00 1.78 C ATOM 1806 OE1 GLN B 55 -3.910 -9.890 5.020 1.00 2.38 O ATOM 1807 NE2 GLN B 55 -2.357 -10.600 6.461 1.00 2.52 N ATOM 0 H GLN B 55 -2.330 -8.542 2.001 1.00 0.57 H new ATOM 0 HA GLN B 55 -2.335 -7.906 4.784 1.00 0.62 H new ATOM 0 HB2 GLN B 55 -0.324 -9.314 3.012 1.00 0.65 H new ATOM 0 HB3 GLN B 55 -0.159 -9.163 4.751 1.00 0.65 H new ATOM 0 HG2 GLN B 55 -2.275 -10.668 3.198 1.00 1.19 H new ATOM 0 HG3 GLN B 55 -1.114 -11.308 4.345 1.00 1.19 H new ATOM 0 HE21 GLN B 55 -1.404 -10.932 6.608 1.00 2.52 H new ATOM 0 HE22 GLN B 55 -2.992 -10.505 7.254 1.00 2.52 H new ATOM 1816 N LEU B 56 -0.452 -6.205 2.774 1.00 0.54 N ATOM 1817 CA LEU B 56 0.373 -5.023 2.635 1.00 0.53 C ATOM 1818 C LEU B 56 -0.398 -3.803 3.093 1.00 0.55 C ATOM 1819 O LEU B 56 -0.136 -3.256 4.162 1.00 0.58 O ATOM 1820 CB LEU B 56 0.768 -4.864 1.174 1.00 0.48 C ATOM 1821 CG LEU B 56 2.056 -4.101 0.926 1.00 0.46 C ATOM 1822 CD1 LEU B 56 3.197 -4.753 1.668 1.00 0.45 C ATOM 1823 CD2 LEU B 56 2.346 -4.056 -0.553 1.00 0.46 C ATOM 0 H LEU B 56 -0.761 -6.603 1.887 1.00 0.54 H new ATOM 0 HA LEU B 56 1.268 -5.126 3.249 1.00 0.53 H new ATOM 0 HB2 LEU B 56 0.862 -5.855 0.731 1.00 0.48 H new ATOM 0 HB3 LEU B 56 -0.042 -4.356 0.650 1.00 0.48 H new ATOM 0 HG LEU B 56 1.944 -3.081 1.293 1.00 0.46 H new ATOM 0 HD11 LEU B 56 4.116 -4.197 1.483 1.00 0.45 H new ATOM 0 HD12 LEU B 56 2.983 -4.754 2.737 1.00 0.45 H new ATOM 0 HD13 LEU B 56 3.317 -5.779 1.321 1.00 0.45 H new ATOM 0 HD21 LEU B 56 3.272 -3.507 -0.726 1.00 0.46 H new ATOM 0 HD22 LEU B 56 2.450 -5.072 -0.934 1.00 0.46 H new ATOM 0 HD23 LEU B 56 1.526 -3.557 -1.069 1.00 0.46 H new ATOM 1835 N ALA B 57 -1.388 -3.434 2.293 1.00 0.56 N ATOM 1836 CA ALA B 57 -2.226 -2.271 2.543 1.00 0.59 C ATOM 1837 C ALA B 57 -2.866 -2.291 3.929 1.00 0.68 C ATOM 1838 O ALA B 57 -3.046 -1.244 4.555 1.00 1.02 O ATOM 1839 CB ALA B 57 -3.288 -2.192 1.459 1.00 0.55 C ATOM 0 H ALA B 57 -1.634 -3.940 1.442 1.00 0.56 H new ATOM 0 HA ALA B 57 -1.593 -1.384 2.517 1.00 0.59 H new ATOM 0 HB1 ALA B 57 -3.923 -1.324 1.635 1.00 0.55 H new ATOM 0 HB2 ALA B 57 -2.808 -2.099 0.485 1.00 0.55 H new ATOM 0 HB3 ALA B 57 -3.896 -3.097 1.479 1.00 0.55 H new