USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=17 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: A 65 GLN : amide:sc= -0.71 X(o=-0.61,f=-0.71) USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0.103 USER MOD Set 2.1: A 57 CYS SG : rot 6:sc= 0.667 USER MOD Set 2.2: A 89 HIS : +bothHN:sc= -0.55 K(o=0.12,f=-4.2!) USER MOD Set 3.1: A 29 TYR OH : rot 70:sc= 0.357 USER MOD Set 3.2: A 97 THR OG1 : rot -121:sc= 0.356 USER MOD Single : A 9 SER OG : rot 180:sc= -0.428 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.00415 K(o=0.0041,f=-0.98) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1 K(o=-1,f=-8.6!) USER MOD Single : A 38 SER OG : rot -68:sc= 0.0229 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -7:sc= 1.1 USER MOD Single : A 54 SER OG : rot -66:sc= -0.766 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 116:sc= 0.0504 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -2.66! C(o=-2.7!,f=-5.3!) USER MOD Single : A 81 THR OG1 : rot 74:sc= 0.746 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -31:sc= 0.738 USER MOD Single : A 90 GLN : amide:sc= -1.42 K(o=-1.4,f=-6.6!) USER MOD Single : A 95 LYS NZ :NH3+ -150:sc= 0.709 (180deg=0.228) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 9.820 5.170 -7.859 1.00 41.41 N ATOM 64 CA VAL A 7 8.994 5.974 -8.752 1.00 30.11 C ATOM 65 C VAL A 7 9.494 7.413 -8.817 1.00 33.34 C ATOM 66 O VAL A 7 9.770 7.938 -9.897 1.00 23.12 O ATOM 67 CB VAL A 7 7.520 5.975 -8.305 1.00 3.12 C ATOM 68 CG1 VAL A 7 6.698 6.910 -9.178 1.00 4.21 C ATOM 69 CG2 VAL A 7 6.953 4.564 -8.338 1.00 5.21 C ATOM 0 HA VAL A 7 9.066 5.522 -9.741 1.00 30.11 H new ATOM 0 HB VAL A 7 7.469 6.338 -7.278 1.00 3.12 H new ATOM 0 HG11 VAL A 7 5.659 6.898 -8.847 1.00 4.21 H new ATOM 0 HG12 VAL A 7 7.092 7.923 -9.098 1.00 4.21 H new ATOM 0 HG13 VAL A 7 6.752 6.581 -10.216 1.00 4.21 H new ATOM 0 HG21 VAL A 7 5.911 4.583 -8.019 1.00 5.21 H new ATOM 0 HG22 VAL A 7 7.015 4.171 -9.353 1.00 5.21 H new ATOM 0 HG23 VAL A 7 7.526 3.926 -7.666 1.00 5.21 H new ATOM 79 N LEU A 8 9.611 8.046 -7.656 1.00 44.32 N ATOM 80 CA LEU A 8 10.079 9.425 -7.580 1.00 74.22 C ATOM 81 C LEU A 8 11.314 9.533 -6.690 1.00 41.04 C ATOM 82 O LEU A 8 11.350 8.979 -5.591 1.00 62.14 O ATOM 83 CB LEU A 8 8.971 10.332 -7.044 1.00 11.51 C ATOM 84 CG LEU A 8 7.702 10.413 -7.894 1.00 44.34 C ATOM 85 CD1 LEU A 8 6.772 11.493 -7.362 1.00 40.22 C ATOM 86 CD2 LEU A 8 8.050 10.678 -9.351 1.00 55.24 C ATOM 0 H LEU A 8 9.388 7.626 -6.753 1.00 44.32 H new ATOM 0 HA LEU A 8 10.349 9.746 -8.586 1.00 74.22 H new ATOM 0 HB2 LEU A 8 8.696 9.986 -6.048 1.00 11.51 H new ATOM 0 HB3 LEU A 8 9.375 11.338 -6.932 1.00 11.51 H new ATOM 0 HG LEU A 8 7.186 9.455 -7.834 1.00 44.34 H new ATOM 0 HD11 LEU A 8 5.874 11.536 -7.979 1.00 40.22 H new ATOM 0 HD12 LEU A 8 6.495 11.260 -6.334 1.00 40.22 H new ATOM 0 HD13 LEU A 8 7.280 12.457 -7.392 1.00 40.22 H new ATOM 0 HD21 LEU A 8 7.134 10.732 -9.940 1.00 55.24 H new ATOM 0 HD22 LEU A 8 8.589 11.622 -9.430 1.00 55.24 H new ATOM 0 HD23 LEU A 8 8.677 9.870 -9.728 1.00 55.24 H new ATOM 98 N SER A 9 12.324 10.252 -7.171 1.00 24.33 N ATOM 99 CA SER A 9 13.560 10.430 -6.420 1.00 15.53 C ATOM 100 C SER A 9 13.461 11.634 -5.488 1.00 43.20 C ATOM 101 O SER A 9 12.437 12.315 -5.442 1.00 22.22 O ATOM 102 CB SER A 9 14.742 10.607 -7.376 1.00 42.00 C ATOM 103 OG SER A 9 14.753 11.908 -7.937 1.00 4.32 O ATOM 0 H SER A 9 12.310 10.720 -8.077 1.00 24.33 H new ATOM 0 HA SER A 9 13.721 9.537 -5.816 1.00 15.53 H new ATOM 0 HB2 SER A 9 15.676 10.430 -6.842 1.00 42.00 H new ATOM 0 HB3 SER A 9 14.684 9.865 -8.172 1.00 42.00 H new ATOM 0 HG SER A 9 15.518 11.997 -8.543 1.00 4.32 H new ATOM 109 N GLY A 10 14.534 11.891 -4.746 1.00 0.14 N ATOM 110 CA GLY A 10 14.548 13.013 -3.826 1.00 71.43 C ATOM 111 C GLY A 10 14.150 14.315 -4.492 1.00 15.31 C ATOM 112 O GLY A 10 13.402 15.109 -3.923 1.00 73.21 O ATOM 0 H GLY A 10 15.394 11.342 -4.766 1.00 0.14 H new ATOM 0 HA2 GLY A 10 13.868 12.809 -2.999 1.00 71.43 H new ATOM 0 HA3 GLY A 10 15.546 13.117 -3.400 1.00 71.43 H new ATOM 116 N GLY A 11 14.655 14.537 -5.702 1.00 42.11 N ATOM 117 CA GLY A 11 14.338 15.755 -6.426 1.00 74.51 C ATOM 118 C GLY A 11 12.924 15.754 -6.970 1.00 64.22 C ATOM 119 O GLY A 11 12.183 16.719 -6.789 1.00 44.30 O ATOM 0 H GLY A 11 15.278 13.896 -6.194 1.00 42.11 H new ATOM 0 HA2 GLY A 11 14.469 16.612 -5.765 1.00 74.51 H new ATOM 0 HA3 GLY A 11 15.041 15.878 -7.250 1.00 74.51 H new ATOM 123 N GLU A 12 12.549 14.669 -7.640 1.00 22.31 N ATOM 124 CA GLU A 12 11.215 14.550 -8.215 1.00 65.42 C ATOM 125 C GLU A 12 10.144 14.655 -7.131 1.00 23.24 C ATOM 126 O GLU A 12 9.082 15.239 -7.347 1.00 5.33 O ATOM 127 CB GLU A 12 11.073 13.220 -8.959 1.00 50.31 C ATOM 128 CG GLU A 12 12.219 12.932 -9.914 1.00 52.31 C ATOM 129 CD GLU A 12 12.030 11.637 -10.678 1.00 23.31 C ATOM 130 OE1 GLU A 12 12.157 10.559 -10.059 1.00 20.22 O ATOM 131 OE2 GLU A 12 11.756 11.698 -11.895 1.00 11.31 O ATOM 0 H GLU A 12 13.150 13.860 -7.798 1.00 22.31 H new ATOM 0 HA GLU A 12 11.077 15.370 -8.920 1.00 65.42 H new ATOM 0 HB2 GLU A 12 11.006 12.411 -8.231 1.00 50.31 H new ATOM 0 HB3 GLU A 12 10.137 13.224 -9.518 1.00 50.31 H new ATOM 0 HG2 GLU A 12 12.314 13.756 -10.621 1.00 52.31 H new ATOM 0 HG3 GLU A 12 13.152 12.885 -9.352 1.00 52.31 H new ATOM 138 N LEU A 13 10.432 14.084 -5.967 1.00 74.35 N ATOM 139 CA LEU A 13 9.495 14.113 -4.849 1.00 31.10 C ATOM 140 C LEU A 13 9.048 15.540 -4.549 1.00 14.23 C ATOM 141 O LEU A 13 7.862 15.801 -4.352 1.00 24.14 O ATOM 142 CB LEU A 13 10.136 13.494 -3.605 1.00 40.01 C ATOM 143 CG LEU A 13 9.182 13.148 -2.461 1.00 33.22 C ATOM 144 CD1 LEU A 13 8.129 12.155 -2.926 1.00 71.22 C ATOM 145 CD2 LEU A 13 9.955 12.592 -1.274 1.00 74.35 C ATOM 0 H LEU A 13 11.306 13.596 -5.772 1.00 74.35 H new ATOM 0 HA LEU A 13 8.618 13.529 -5.127 1.00 31.10 H new ATOM 0 HB2 LEU A 13 10.658 12.585 -3.904 1.00 40.01 H new ATOM 0 HB3 LEU A 13 10.890 14.185 -3.227 1.00 40.01 H new ATOM 0 HG LEU A 13 8.676 14.061 -2.146 1.00 33.22 H new ATOM 0 HD11 LEU A 13 7.459 11.921 -2.099 1.00 71.22 H new ATOM 0 HD12 LEU A 13 7.556 12.589 -3.745 1.00 71.22 H new ATOM 0 HD13 LEU A 13 8.616 11.242 -3.268 1.00 71.22 H new ATOM 0 HD21 LEU A 13 9.261 12.351 -0.469 1.00 74.35 H new ATOM 0 HD22 LEU A 13 10.487 11.690 -1.577 1.00 74.35 H new ATOM 0 HD23 LEU A 13 10.671 13.336 -0.925 1.00 74.35 H new ATOM 157 N ASP A 14 10.006 16.459 -4.518 1.00 52.42 N ATOM 158 CA ASP A 14 9.711 17.862 -4.245 1.00 35.30 C ATOM 159 C ASP A 14 8.590 18.366 -5.146 1.00 44.23 C ATOM 160 O ASP A 14 7.609 18.942 -4.672 1.00 32.43 O ATOM 161 CB ASP A 14 10.965 18.716 -4.443 1.00 3.01 C ATOM 162 CG ASP A 14 10.890 20.035 -3.700 1.00 70.11 C ATOM 163 OD1 ASP A 14 9.770 20.563 -3.539 1.00 24.02 O ATOM 164 OD2 ASP A 14 11.952 20.539 -3.277 1.00 25.42 O ATOM 0 H ASP A 14 10.993 16.259 -4.678 1.00 52.42 H new ATOM 0 HA ASP A 14 9.384 17.945 -3.208 1.00 35.30 H new ATOM 0 HB2 ASP A 14 11.838 18.159 -4.102 1.00 3.01 H new ATOM 0 HB3 ASP A 14 11.106 18.909 -5.507 1.00 3.01 H new ATOM 169 N LYS A 15 8.739 18.147 -6.448 1.00 2.40 N ATOM 170 CA LYS A 15 7.738 18.579 -7.417 1.00 74.04 C ATOM 171 C LYS A 15 6.382 17.949 -7.115 1.00 0.15 C ATOM 172 O LYS A 15 5.371 18.646 -7.021 1.00 55.15 O ATOM 173 CB LYS A 15 8.180 18.211 -8.835 1.00 65.11 C ATOM 174 CG LYS A 15 8.961 19.311 -9.534 1.00 72.13 C ATOM 175 CD LYS A 15 9.543 18.831 -10.852 1.00 24.24 C ATOM 176 CE LYS A 15 10.609 19.783 -11.372 1.00 63.43 C ATOM 177 NZ LYS A 15 11.903 19.088 -11.613 1.00 34.11 N ATOM 0 H LYS A 15 9.544 17.673 -6.857 1.00 2.40 H new ATOM 0 HA LYS A 15 7.640 19.662 -7.344 1.00 74.04 H new ATOM 0 HB2 LYS A 15 8.794 17.311 -8.793 1.00 65.11 H new ATOM 0 HB3 LYS A 15 7.299 17.968 -9.430 1.00 65.11 H new ATOM 0 HG2 LYS A 15 8.307 20.165 -9.713 1.00 72.13 H new ATOM 0 HG3 LYS A 15 9.765 19.656 -8.884 1.00 72.13 H new ATOM 0 HD2 LYS A 15 9.974 17.838 -10.720 1.00 24.24 H new ATOM 0 HD3 LYS A 15 8.746 18.738 -11.590 1.00 24.24 H new ATOM 0 HE2 LYS A 15 10.265 20.242 -12.299 1.00 63.43 H new ATOM 0 HE3 LYS A 15 10.758 20.589 -10.653 1.00 63.43 H new ATOM 0 HZ1 LYS A 15 12.603 19.771 -11.967 1.00 34.11 H new ATOM 0 HZ2 LYS A 15 12.244 18.671 -10.723 1.00 34.11 H new ATOM 0 HZ3 LYS A 15 11.767 18.335 -12.318 1.00 34.11 H new ATOM 191 N TRP A 16 6.369 16.630 -6.967 1.00 64.44 N ATOM 192 CA TRP A 16 5.136 15.907 -6.675 1.00 63.23 C ATOM 193 C TRP A 16 4.380 16.562 -5.523 1.00 71.42 C ATOM 194 O TRP A 16 3.233 16.977 -5.679 1.00 63.24 O ATOM 195 CB TRP A 16 5.444 14.448 -6.335 1.00 73.11 C ATOM 196 CG TRP A 16 4.219 13.632 -6.051 1.00 75.15 C ATOM 197 CD1 TRP A 16 3.758 13.246 -4.825 1.00 40.52 C ATOM 198 CD2 TRP A 16 3.301 13.101 -7.012 1.00 14.31 C ATOM 199 NE1 TRP A 16 2.608 12.508 -4.966 1.00 62.40 N ATOM 200 CE2 TRP A 16 2.307 12.405 -6.299 1.00 64.11 C ATOM 201 CE3 TRP A 16 3.221 13.148 -8.407 1.00 75.01 C ATOM 202 CZ2 TRP A 16 1.248 11.760 -6.934 1.00 41.35 C ATOM 203 CZ3 TRP A 16 2.170 12.508 -9.036 1.00 32.20 C ATOM 204 CH2 TRP A 16 1.195 11.822 -8.300 1.00 44.41 C ATOM 0 H TRP A 16 7.197 16.039 -7.044 1.00 64.44 H new ATOM 0 HA TRP A 16 4.506 15.940 -7.564 1.00 63.23 H new ATOM 0 HB2 TRP A 16 5.988 13.996 -7.164 1.00 73.11 H new ATOM 0 HB3 TRP A 16 6.102 14.416 -5.467 1.00 73.11 H new ATOM 0 HD1 TRP A 16 4.228 13.486 -3.883 1.00 40.52 H new ATOM 0 HE1 TRP A 16 2.066 12.103 -4.203 1.00 62.40 H new ATOM 0 HE3 TRP A 16 3.967 13.675 -8.983 1.00 75.01 H new ATOM 0 HZ2 TRP A 16 0.496 11.230 -6.368 1.00 41.35 H new ATOM 0 HZ3 TRP A 16 2.099 12.537 -10.113 1.00 32.20 H new ATOM 0 HH2 TRP A 16 0.386 11.332 -8.821 1.00 44.41 H new ATOM 215 N GLU A 17 5.033 16.650 -4.368 1.00 42.24 N ATOM 216 CA GLU A 17 4.420 17.254 -3.190 1.00 30.22 C ATOM 217 C GLU A 17 4.016 18.698 -3.468 1.00 41.43 C ATOM 218 O GLU A 17 3.154 19.256 -2.788 1.00 22.22 O ATOM 219 CB GLU A 17 5.384 17.202 -2.003 1.00 62.42 C ATOM 220 CG GLU A 17 5.314 15.902 -1.219 1.00 33.14 C ATOM 221 CD GLU A 17 5.678 16.082 0.242 1.00 55.33 C ATOM 222 OE1 GLU A 17 6.639 16.828 0.527 1.00 42.22 O ATOM 223 OE2 GLU A 17 5.003 15.477 1.100 1.00 63.32 O ATOM 0 H GLU A 17 5.984 16.312 -4.223 1.00 42.24 H new ATOM 0 HA GLU A 17 3.523 16.684 -2.946 1.00 30.22 H new ATOM 0 HB2 GLU A 17 6.402 17.343 -2.366 1.00 62.42 H new ATOM 0 HB3 GLU A 17 5.166 18.033 -1.332 1.00 62.42 H new ATOM 0 HG2 GLU A 17 4.306 15.492 -1.291 1.00 33.14 H new ATOM 0 HG3 GLU A 17 5.987 15.173 -1.670 1.00 33.14 H new ATOM 230 N LYS A 18 4.645 19.300 -4.472 1.00 42.53 N ATOM 231 CA LYS A 18 4.351 20.680 -4.842 1.00 35.44 C ATOM 232 C LYS A 18 2.982 20.786 -5.505 1.00 21.32 C ATOM 233 O LYS A 18 2.041 21.328 -4.924 1.00 52.34 O ATOM 234 CB LYS A 18 5.430 21.216 -5.786 1.00 2.02 C ATOM 235 CG LYS A 18 5.563 22.729 -5.761 1.00 44.42 C ATOM 236 CD LYS A 18 6.800 23.169 -4.997 1.00 63.44 C ATOM 237 CE LYS A 18 6.516 24.385 -4.128 1.00 24.21 C ATOM 238 NZ LYS A 18 7.764 24.962 -3.558 1.00 54.43 N ATOM 0 H LYS A 18 5.362 18.854 -5.044 1.00 42.53 H new ATOM 0 HA LYS A 18 4.341 21.280 -3.932 1.00 35.44 H new ATOM 0 HB2 LYS A 18 6.388 20.771 -5.519 1.00 2.02 H new ATOM 0 HB3 LYS A 18 5.203 20.896 -6.803 1.00 2.02 H new ATOM 0 HG2 LYS A 18 5.611 23.107 -6.782 1.00 44.42 H new ATOM 0 HG3 LYS A 18 4.676 23.165 -5.301 1.00 44.42 H new ATOM 0 HD2 LYS A 18 7.154 22.349 -4.372 1.00 63.44 H new ATOM 0 HD3 LYS A 18 7.600 23.402 -5.700 1.00 63.44 H new ATOM 0 HE2 LYS A 18 6.003 25.143 -4.720 1.00 24.21 H new ATOM 0 HE3 LYS A 18 5.843 24.104 -3.318 1.00 24.21 H new ATOM 0 HZ1 LYS A 18 7.528 25.788 -2.972 1.00 54.43 H new ATOM 0 HZ2 LYS A 18 8.241 24.247 -2.972 1.00 54.43 H new ATOM 0 HZ3 LYS A 18 8.396 25.254 -4.331 1.00 54.43 H new ATOM 252 N ILE A 19 2.877 20.265 -6.723 1.00 53.34 N ATOM 253 CA ILE A 19 1.622 20.299 -7.462 1.00 41.41 C ATOM 254 C ILE A 19 0.443 19.946 -6.562 1.00 62.14 C ATOM 255 O ILE A 19 0.570 19.132 -5.648 1.00 72.14 O ATOM 256 CB ILE A 19 1.648 19.332 -8.660 1.00 25.01 C ATOM 257 CG1 ILE A 19 2.823 19.658 -9.583 1.00 61.01 C ATOM 258 CG2 ILE A 19 0.333 19.399 -9.423 1.00 51.11 C ATOM 259 CD1 ILE A 19 3.478 18.435 -10.183 1.00 71.33 C ATOM 0 H ILE A 19 3.646 19.814 -7.218 1.00 53.34 H new ATOM 0 HA ILE A 19 1.501 21.318 -7.831 1.00 41.41 H new ATOM 0 HB ILE A 19 1.777 18.317 -8.285 1.00 25.01 H new ATOM 0 HG12 ILE A 19 2.473 20.305 -10.388 1.00 61.01 H new ATOM 0 HG13 ILE A 19 3.569 20.222 -9.023 1.00 61.01 H new ATOM 0 HG21 ILE A 19 0.367 18.710 -10.267 1.00 51.11 H new ATOM 0 HG22 ILE A 19 -0.487 19.121 -8.760 1.00 51.11 H new ATOM 0 HG23 ILE A 19 0.176 20.414 -9.789 1.00 51.11 H new ATOM 0 HD11 ILE A 19 4.303 18.742 -10.826 1.00 71.33 H new ATOM 0 HD12 ILE A 19 3.858 17.797 -9.385 1.00 71.33 H new ATOM 0 HD13 ILE A 19 2.746 17.882 -10.771 1.00 71.33 H new ATOM 271 N ARG A 20 -0.704 20.561 -6.829 1.00 53.44 N ATOM 272 CA ARG A 20 -1.906 20.311 -6.042 1.00 2.33 C ATOM 273 C ARG A 20 -2.914 19.487 -6.838 1.00 34.44 C ATOM 274 O ARG A 20 -2.780 19.325 -8.052 1.00 52.32 O ATOM 275 CB ARG A 20 -2.542 21.633 -5.609 1.00 63.55 C ATOM 276 CG ARG A 20 -1.654 22.466 -4.699 1.00 2.45 C ATOM 277 CD ARG A 20 -1.885 23.955 -4.909 1.00 72.35 C ATOM 278 NE ARG A 20 -0.802 24.760 -4.349 1.00 11.01 N ATOM 279 CZ ARG A 20 0.395 24.876 -4.913 1.00 54.24 C ATOM 280 NH1 ARG A 20 0.661 24.242 -6.046 1.00 11.53 N ATOM 281 NH2 ARG A 20 1.328 25.627 -4.343 1.00 21.15 N ATOM 0 H ARG A 20 -0.827 21.236 -7.584 1.00 53.44 H new ATOM 0 HA ARG A 20 -1.619 19.746 -5.155 1.00 2.33 H new ATOM 0 HB2 ARG A 20 -2.788 22.216 -6.496 1.00 63.55 H new ATOM 0 HB3 ARG A 20 -3.480 21.424 -5.095 1.00 63.55 H new ATOM 0 HG2 ARG A 20 -1.853 22.209 -3.659 1.00 2.45 H new ATOM 0 HG3 ARG A 20 -0.608 22.228 -4.892 1.00 2.45 H new ATOM 0 HD2 ARG A 20 -1.976 24.161 -5.975 1.00 72.35 H new ATOM 0 HD3 ARG A 20 -2.829 24.244 -4.447 1.00 72.35 H new ATOM 0 HE ARG A 20 -0.975 25.260 -3.477 1.00 11.01 H new ATOM 0 HH11 ARG A 20 -0.054 23.664 -6.487 1.00 11.53 H new ATOM 0 HH12 ARG A 20 1.581 24.333 -6.477 1.00 11.53 H new ATOM 0 HH21 ARG A 20 1.127 26.116 -3.471 1.00 21.15 H new ATOM 0 HH22 ARG A 20 2.247 25.715 -4.777 1.00 21.15 H new ATOM 295 N LEU A 21 -3.921 18.965 -6.147 1.00 71.31 N ATOM 296 CA LEU A 21 -4.951 18.156 -6.787 1.00 4.24 C ATOM 297 C LEU A 21 -5.979 19.039 -7.488 1.00 64.01 C ATOM 298 O LEU A 21 -6.402 18.748 -8.607 1.00 22.34 O ATOM 299 CB LEU A 21 -5.646 17.266 -5.755 1.00 71.14 C ATOM 300 CG LEU A 21 -4.727 16.425 -4.869 1.00 61.53 C ATOM 301 CD1 LEU A 21 -5.323 16.269 -3.478 1.00 12.22 C ATOM 302 CD2 LEU A 21 -4.478 15.063 -5.499 1.00 23.33 C ATOM 0 H LEU A 21 -4.046 19.088 -5.142 1.00 71.31 H new ATOM 0 HA LEU A 21 -4.469 17.525 -7.534 1.00 4.24 H new ATOM 0 HB2 LEU A 21 -6.258 17.899 -5.112 1.00 71.14 H new ATOM 0 HB3 LEU A 21 -6.325 16.595 -6.281 1.00 71.14 H new ATOM 0 HG LEU A 21 -3.771 16.941 -4.777 1.00 61.53 H new ATOM 0 HD11 LEU A 21 -4.655 15.668 -2.861 1.00 12.22 H new ATOM 0 HD12 LEU A 21 -5.449 17.252 -3.024 1.00 12.22 H new ATOM 0 HD13 LEU A 21 -6.292 15.776 -3.551 1.00 12.22 H new ATOM 0 HD21 LEU A 21 -3.822 14.478 -4.854 1.00 23.33 H new ATOM 0 HD22 LEU A 21 -5.426 14.540 -5.622 1.00 23.33 H new ATOM 0 HD23 LEU A 21 -4.007 15.193 -6.473 1.00 23.33 H new ATOM 314 N ARG A 22 -6.376 20.118 -6.823 1.00 51.24 N ATOM 315 CA ARG A 22 -7.354 21.044 -7.381 1.00 13.24 C ATOM 316 C ARG A 22 -6.704 22.384 -7.716 1.00 23.52 C ATOM 317 O ARG A 22 -5.687 22.769 -7.141 1.00 53.31 O ATOM 318 CB ARG A 22 -8.507 21.256 -6.399 1.00 62.41 C ATOM 319 CG ARG A 22 -9.706 20.359 -6.664 1.00 34.21 C ATOM 320 CD ARG A 22 -10.372 19.923 -5.369 1.00 42.14 C ATOM 321 NE ARG A 22 -11.826 20.045 -5.434 1.00 63.05 N ATOM 322 CZ ARG A 22 -12.625 19.868 -4.388 1.00 2.13 C ATOM 323 NH1 ARG A 22 -12.115 19.564 -3.203 1.00 51.14 N ATOM 324 NH2 ARG A 22 -13.940 19.996 -4.526 1.00 35.23 N ATOM 0 H ARG A 22 -6.035 20.373 -5.896 1.00 51.24 H new ATOM 0 HA ARG A 22 -7.745 20.609 -8.301 1.00 13.24 H new ATOM 0 HB2 ARG A 22 -8.147 21.078 -5.386 1.00 62.41 H new ATOM 0 HB3 ARG A 22 -8.826 22.297 -6.445 1.00 62.41 H new ATOM 0 HG2 ARG A 22 -10.428 20.889 -7.285 1.00 34.21 H new ATOM 0 HG3 ARG A 22 -9.387 19.480 -7.225 1.00 34.21 H new ATOM 0 HD2 ARG A 22 -10.104 18.889 -5.154 1.00 42.14 H new ATOM 0 HD3 ARG A 22 -9.994 20.528 -4.545 1.00 42.14 H new ATOM 0 HE ARG A 22 -12.251 20.279 -6.331 1.00 63.05 H new ATOM 0 HH11 ARG A 22 -11.106 19.465 -3.092 1.00 51.14 H new ATOM 0 HH12 ARG A 22 -12.732 19.429 -2.402 1.00 51.14 H new ATOM 0 HH21 ARG A 22 -14.337 20.230 -5.436 1.00 35.23 H new ATOM 0 HH22 ARG A 22 -14.553 19.860 -3.722 1.00 35.23 H new ATOM 338 N PRO A 23 -7.305 23.111 -8.670 1.00 62.21 N ATOM 339 CA PRO A 23 -6.803 24.419 -9.103 1.00 34.13 C ATOM 340 C PRO A 23 -6.982 25.491 -8.035 1.00 54.22 C ATOM 341 O PRO A 23 -6.046 26.222 -7.711 1.00 72.43 O ATOM 342 CB PRO A 23 -7.658 24.739 -10.330 1.00 21.34 C ATOM 343 CG PRO A 23 -8.917 23.968 -10.126 1.00 1.34 C ATOM 344 CD PRO A 23 -8.521 22.713 -9.399 1.00 41.03 C ATOM 0 HA PRO A 23 -5.732 24.397 -9.307 1.00 34.13 H new ATOM 0 HB2 PRO A 23 -7.856 25.808 -10.406 1.00 21.34 H new ATOM 0 HB3 PRO A 23 -7.156 24.441 -11.251 1.00 21.34 H new ATOM 0 HG2 PRO A 23 -9.638 24.544 -9.546 1.00 1.34 H new ATOM 0 HG3 PRO A 23 -9.390 23.734 -11.080 1.00 1.34 H new ATOM 0 HD2 PRO A 23 -9.305 22.377 -8.720 1.00 41.03 H new ATOM 0 HD3 PRO A 23 -8.325 21.893 -10.090 1.00 41.03 H new ATOM 352 N GLY A 24 -8.192 25.581 -7.489 1.00 53.43 N ATOM 353 CA GLY A 24 -8.471 26.567 -6.462 1.00 14.53 C ATOM 354 C GLY A 24 -8.549 25.956 -5.077 1.00 5.52 C ATOM 355 O GLY A 24 -9.423 26.307 -4.285 1.00 52.01 O ATOM 0 H GLY A 24 -8.983 24.988 -7.740 1.00 53.43 H new ATOM 0 HA2 GLY A 24 -7.694 27.331 -6.475 1.00 14.53 H new ATOM 0 HA3 GLY A 24 -9.413 27.067 -6.689 1.00 14.53 H new ATOM 359 N GLY A 25 -7.633 25.039 -4.784 1.00 63.45 N ATOM 360 CA GLY A 25 -7.621 24.391 -3.485 1.00 23.32 C ATOM 361 C GLY A 25 -6.389 24.740 -2.675 1.00 12.22 C ATOM 362 O GLY A 25 -5.617 25.621 -3.052 1.00 10.42 O ATOM 0 H GLY A 25 -6.899 24.733 -5.422 1.00 63.45 H new ATOM 0 HA2 GLY A 25 -8.512 24.682 -2.929 1.00 23.32 H new ATOM 0 HA3 GLY A 25 -7.669 23.311 -3.621 1.00 23.32 H new ATOM 366 N LYS A 26 -6.205 24.049 -1.555 1.00 33.24 N ATOM 367 CA LYS A 26 -5.058 24.290 -0.687 1.00 13.20 C ATOM 368 C LYS A 26 -4.352 22.982 -0.343 1.00 14.10 C ATOM 369 O LYS A 26 -3.407 22.964 0.447 1.00 63.01 O ATOM 370 CB LYS A 26 -5.503 24.994 0.596 1.00 70.01 C ATOM 371 CG LYS A 26 -4.559 26.097 1.044 1.00 75.20 C ATOM 372 CD LYS A 26 -3.748 25.678 2.259 1.00 12.54 C ATOM 373 CE LYS A 26 -3.276 26.884 3.056 1.00 0.31 C ATOM 374 NZ LYS A 26 -3.973 26.989 4.367 1.00 65.25 N ATOM 0 H LYS A 26 -6.836 23.317 -1.227 1.00 33.24 H new ATOM 0 HA LYS A 26 -4.357 24.931 -1.222 1.00 13.20 H new ATOM 0 HB2 LYS A 26 -6.496 25.417 0.443 1.00 70.01 H new ATOM 0 HB3 LYS A 26 -5.591 24.256 1.394 1.00 70.01 H new ATOM 0 HG2 LYS A 26 -3.885 26.355 0.227 1.00 75.20 H new ATOM 0 HG3 LYS A 26 -5.132 26.994 1.279 1.00 75.20 H new ATOM 0 HD2 LYS A 26 -4.353 25.033 2.897 1.00 12.54 H new ATOM 0 HD3 LYS A 26 -2.886 25.092 1.938 1.00 12.54 H new ATOM 0 HE2 LYS A 26 -2.201 26.812 3.221 1.00 0.31 H new ATOM 0 HE3 LYS A 26 -3.450 27.792 2.478 1.00 0.31 H new ATOM 0 HZ1 LYS A 26 -3.624 27.823 4.880 1.00 65.25 H new ATOM 0 HZ2 LYS A 26 -4.997 27.083 4.209 1.00 65.25 H new ATOM 0 HZ3 LYS A 26 -3.786 26.134 4.929 1.00 65.25 H new ATOM 388 N LYS A 27 -4.814 21.890 -0.941 1.00 13.13 N ATOM 389 CA LYS A 27 -4.225 20.578 -0.702 1.00 61.35 C ATOM 390 C LYS A 27 -3.217 20.226 -1.790 1.00 11.44 C ATOM 391 O LYS A 27 -3.440 20.504 -2.968 1.00 40.32 O ATOM 392 CB LYS A 27 -5.319 19.509 -0.641 1.00 32.21 C ATOM 393 CG LYS A 27 -5.265 18.654 0.613 1.00 32.32 C ATOM 394 CD LYS A 27 -6.564 17.894 0.827 1.00 14.43 C ATOM 395 CE LYS A 27 -6.865 17.711 2.306 1.00 50.23 C ATOM 396 NZ LYS A 27 -7.516 18.916 2.892 1.00 70.34 N ATOM 0 H LYS A 27 -5.596 21.887 -1.596 1.00 13.13 H new ATOM 0 HA LYS A 27 -3.703 20.611 0.254 1.00 61.35 H new ATOM 0 HB2 LYS A 27 -6.293 19.995 -0.698 1.00 32.21 H new ATOM 0 HB3 LYS A 27 -5.233 18.863 -1.515 1.00 32.21 H new ATOM 0 HG2 LYS A 27 -4.438 17.948 0.538 1.00 32.32 H new ATOM 0 HG3 LYS A 27 -5.066 19.287 1.478 1.00 32.32 H new ATOM 0 HD2 LYS A 27 -7.384 18.432 0.352 1.00 14.43 H new ATOM 0 HD3 LYS A 27 -6.500 16.919 0.344 1.00 14.43 H new ATOM 0 HE2 LYS A 27 -7.514 16.846 2.440 1.00 50.23 H new ATOM 0 HE3 LYS A 27 -5.939 17.501 2.842 1.00 50.23 H new ATOM 0 HZ1 LYS A 27 -7.705 18.752 3.901 1.00 70.34 H new ATOM 0 HZ2 LYS A 27 -6.886 19.737 2.787 1.00 70.34 H new ATOM 0 HZ3 LYS A 27 -8.412 19.102 2.398 1.00 70.34 H new ATOM 410 N GLN A 28 -2.107 19.615 -1.388 1.00 64.44 N ATOM 411 CA GLN A 28 -1.066 19.225 -2.331 1.00 73.43 C ATOM 412 C GLN A 28 -1.049 17.713 -2.530 1.00 43.33 C ATOM 413 O GLN A 28 -1.829 16.987 -1.913 1.00 41.31 O ATOM 414 CB GLN A 28 0.302 19.702 -1.837 1.00 61.54 C ATOM 415 CG GLN A 28 0.266 21.065 -1.167 1.00 42.20 C ATOM 416 CD GLN A 28 0.315 20.975 0.345 1.00 73.30 C ATOM 417 OE1 GLN A 28 -0.717 20.849 1.006 1.00 5.05 O ATOM 418 NE2 GLN A 28 1.518 21.038 0.904 1.00 23.21 N ATOM 0 H GLN A 28 -1.906 19.380 -0.416 1.00 64.44 H new ATOM 0 HA GLN A 28 -1.284 19.696 -3.290 1.00 73.43 H new ATOM 0 HB2 GLN A 28 0.700 18.971 -1.133 1.00 61.54 H new ATOM 0 HB3 GLN A 28 0.991 19.739 -2.681 1.00 61.54 H new ATOM 0 HG2 GLN A 28 1.108 21.661 -1.519 1.00 42.20 H new ATOM 0 HG3 GLN A 28 -0.642 21.589 -1.466 1.00 42.20 H new ATOM 0 HE21 GLN A 28 2.347 21.143 0.319 1.00 23.21 H new ATOM 0 HE22 GLN A 28 1.613 20.982 1.918 1.00 23.21 H new ATOM 427 N TYR A 29 -0.157 17.246 -3.395 1.00 34.42 N ATOM 428 CA TYR A 29 -0.040 15.820 -3.678 1.00 61.33 C ATOM 429 C TYR A 29 0.801 15.120 -2.614 1.00 4.42 C ATOM 430 O TYR A 29 1.723 15.707 -2.049 1.00 52.42 O ATOM 431 CB TYR A 29 0.579 15.601 -5.059 1.00 25.03 C ATOM 432 CG TYR A 29 -0.438 15.303 -6.138 1.00 14.41 C ATOM 433 CD1 TYR A 29 -1.112 14.088 -6.168 1.00 4.30 C ATOM 434 CD2 TYR A 29 -0.723 16.235 -7.128 1.00 23.20 C ATOM 435 CE1 TYR A 29 -2.042 13.811 -7.152 1.00 34.45 C ATOM 436 CE2 TYR A 29 -1.652 15.968 -8.115 1.00 60.42 C ATOM 437 CZ TYR A 29 -2.308 14.754 -8.122 1.00 31.25 C ATOM 438 OH TYR A 29 -3.233 14.483 -9.105 1.00 22.24 O ATOM 0 H TYR A 29 0.496 17.834 -3.913 1.00 34.42 H new ATOM 0 HA TYR A 29 -1.042 15.390 -3.664 1.00 61.33 H new ATOM 0 HB2 TYR A 29 1.144 16.490 -5.340 1.00 25.03 H new ATOM 0 HB3 TYR A 29 1.289 14.776 -5.003 1.00 25.03 H new ATOM 0 HD1 TYR A 29 -0.905 13.348 -5.409 1.00 4.30 H new ATOM 0 HD2 TYR A 29 -0.209 17.185 -7.126 1.00 23.20 H new ATOM 0 HE1 TYR A 29 -2.557 12.862 -7.161 1.00 34.45 H new ATOM 0 HE2 TYR A 29 -1.863 16.705 -8.876 1.00 60.42 H new ATOM 0 HH TYR A 29 -4.131 14.468 -8.714 1.00 22.24 H new ATOM 448 N LYS A 30 0.476 13.859 -2.348 1.00 12.52 N ATOM 449 CA LYS A 30 1.201 13.076 -1.355 1.00 33.34 C ATOM 450 C LYS A 30 1.390 11.638 -1.828 1.00 22.13 C ATOM 451 O LYS A 30 0.769 11.208 -2.801 1.00 73.30 O ATOM 452 CB LYS A 30 0.455 13.091 -0.019 1.00 64.45 C ATOM 453 CG LYS A 30 1.288 13.615 1.137 1.00 72.15 C ATOM 454 CD LYS A 30 0.521 13.559 2.448 1.00 33.44 C ATOM 455 CE LYS A 30 1.068 14.557 3.457 1.00 3.30 C ATOM 456 NZ LYS A 30 0.061 14.899 4.499 1.00 54.13 N ATOM 0 H LYS A 30 -0.285 13.358 -2.807 1.00 12.52 H new ATOM 0 HA LYS A 30 2.184 13.528 -1.220 1.00 33.34 H new ATOM 0 HB2 LYS A 30 -0.440 13.706 -0.119 1.00 64.45 H new ATOM 0 HB3 LYS A 30 0.122 12.079 0.213 1.00 64.45 H new ATOM 0 HG2 LYS A 30 2.202 13.027 1.224 1.00 72.15 H new ATOM 0 HG3 LYS A 30 1.588 14.643 0.934 1.00 72.15 H new ATOM 0 HD2 LYS A 30 -0.533 13.767 2.263 1.00 33.44 H new ATOM 0 HD3 LYS A 30 0.579 12.552 2.862 1.00 33.44 H new ATOM 0 HE2 LYS A 30 1.957 14.143 3.933 1.00 3.30 H new ATOM 0 HE3 LYS A 30 1.378 15.465 2.939 1.00 3.30 H new ATOM 0 HZ1 LYS A 30 0.472 15.582 5.168 1.00 54.13 H new ATOM 0 HZ2 LYS A 30 -0.777 15.318 4.048 1.00 54.13 H new ATOM 0 HZ3 LYS A 30 -0.216 14.037 5.010 1.00 54.13 H new ATOM 470 N LEU A 31 2.246 10.899 -1.133 1.00 35.11 N ATOM 471 CA LEU A 31 2.515 9.507 -1.480 1.00 3.33 C ATOM 472 C LEU A 31 1.216 8.716 -1.599 1.00 34.31 C ATOM 473 O LEU A 31 1.075 7.863 -2.476 1.00 4.25 O ATOM 474 CB LEU A 31 3.423 8.865 -0.432 1.00 75.33 C ATOM 475 CG LEU A 31 4.611 8.066 -0.970 1.00 41.21 C ATOM 476 CD1 LEU A 31 5.793 8.983 -1.242 1.00 42.45 C ATOM 477 CD2 LEU A 31 5.000 6.966 0.007 1.00 32.23 C ATOM 0 H LEU A 31 2.767 11.240 -0.325 1.00 35.11 H new ATOM 0 HA LEU A 31 3.020 9.490 -2.446 1.00 3.33 H new ATOM 0 HB2 LEU A 31 3.805 9.651 0.219 1.00 75.33 H new ATOM 0 HB3 LEU A 31 2.817 8.204 0.188 1.00 75.33 H new ATOM 0 HG LEU A 31 4.315 7.601 -1.911 1.00 41.21 H new ATOM 0 HD11 LEU A 31 6.628 8.396 -1.624 1.00 42.45 H new ATOM 0 HD12 LEU A 31 5.509 9.733 -1.980 1.00 42.45 H new ATOM 0 HD13 LEU A 31 6.090 9.478 -0.317 1.00 42.45 H new ATOM 0 HD21 LEU A 31 5.847 6.408 -0.392 1.00 32.23 H new ATOM 0 HD22 LEU A 31 5.276 7.410 0.963 1.00 32.23 H new ATOM 0 HD23 LEU A 31 4.156 6.291 0.150 1.00 32.23 H new ATOM 489 N LYS A 32 0.270 9.004 -0.713 1.00 14.41 N ATOM 490 CA LYS A 32 -1.019 8.323 -0.719 1.00 13.11 C ATOM 491 C LYS A 32 -1.594 8.260 -2.130 1.00 1.43 C ATOM 492 O LYS A 32 -2.298 7.314 -2.483 1.00 75.41 O ATOM 493 CB LYS A 32 -2.001 9.038 0.213 1.00 30.14 C ATOM 494 CG LYS A 32 -2.506 8.165 1.349 1.00 14.43 C ATOM 495 CD LYS A 32 -4.023 8.144 1.403 1.00 43.04 C ATOM 496 CE LYS A 32 -4.578 9.437 1.984 1.00 24.43 C ATOM 497 NZ LYS A 32 -5.390 9.192 3.208 1.00 31.22 N ATOM 0 H LYS A 32 0.372 9.706 0.020 1.00 14.41 H new ATOM 0 HA LYS A 32 -0.866 7.304 -0.363 1.00 13.11 H new ATOM 0 HB2 LYS A 32 -1.515 9.920 0.632 1.00 30.14 H new ATOM 0 HB3 LYS A 32 -2.852 9.389 -0.370 1.00 30.14 H new ATOM 0 HG2 LYS A 32 -2.131 7.149 1.223 1.00 14.43 H new ATOM 0 HG3 LYS A 32 -2.112 8.535 2.296 1.00 14.43 H new ATOM 0 HD2 LYS A 32 -4.422 7.994 0.400 1.00 43.04 H new ATOM 0 HD3 LYS A 32 -4.355 7.300 2.008 1.00 43.04 H new ATOM 0 HE2 LYS A 32 -3.755 10.110 2.223 1.00 24.43 H new ATOM 0 HE3 LYS A 32 -5.192 9.937 1.235 1.00 24.43 H new ATOM 0 HZ1 LYS A 32 -5.750 10.097 3.573 1.00 31.22 H new ATOM 0 HZ2 LYS A 32 -6.190 8.570 2.975 1.00 31.22 H new ATOM 0 HZ3 LYS A 32 -4.798 8.738 3.932 1.00 31.22 H new ATOM 511 N HIS A 33 -1.289 9.274 -2.935 1.00 72.41 N ATOM 512 CA HIS A 33 -1.773 9.332 -4.309 1.00 5.35 C ATOM 513 C HIS A 33 -0.973 8.395 -5.208 1.00 31.53 C ATOM 514 O HIS A 33 -1.582 7.817 -6.109 1.00 11.52 O ATOM 515 CB HIS A 33 -1.689 10.763 -4.843 1.00 73.35 C ATOM 516 CG HIS A 33 -2.515 11.741 -4.066 1.00 2.42 C ATOM 517 ND1 HIS A 33 -1.968 12.712 -3.254 1.00 1.12 N ATOM 518 CD2 HIS A 33 -3.858 11.895 -3.981 1.00 75.34 C ATOM 519 CE1 HIS A 33 -2.938 13.420 -2.704 1.00 41.34 C ATOM 520 NE2 HIS A 33 -4.095 12.944 -3.129 1.00 20.11 N ATOM 0 H HIS A 33 -0.709 10.066 -2.659 1.00 72.41 H new ATOM 0 HA HIS A 33 -2.814 9.011 -4.313 1.00 5.35 H new ATOM 0 HB2 HIS A 33 -0.648 11.087 -4.829 1.00 73.35 H new ATOM 0 HB3 HIS A 33 -2.012 10.773 -5.884 1.00 73.35 H new ATOM 0 HD2 HIS A 33 -4.604 11.302 -4.489 1.00 75.34 H new ATOM 0 HE1 HIS A 33 -2.808 14.248 -2.022 1.00 41.34 H new ATOM 0 HE2 HIS A 33 -5.015 13.299 -2.866 1.00 20.11 H new ATOM 528 N ILE A 34 0.329 8.232 -4.995 1.00 41.04 N ATOM 529 CA ILE A 34 1.134 7.346 -5.826 1.00 72.34 C ATOM 530 C ILE A 34 0.925 5.886 -5.437 1.00 34.33 C ATOM 531 O ILE A 34 0.551 5.058 -6.268 1.00 13.02 O ATOM 532 CB ILE A 34 2.633 7.683 -5.721 1.00 1.21 C ATOM 533 CG1 ILE A 34 2.868 9.163 -6.031 1.00 50.42 C ATOM 534 CG2 ILE A 34 3.442 6.804 -6.664 1.00 21.10 C ATOM 535 CD1 ILE A 34 4.247 9.650 -5.646 1.00 62.23 C ATOM 0 H ILE A 34 0.848 8.702 -4.254 1.00 41.04 H new ATOM 0 HA ILE A 34 0.807 7.496 -6.855 1.00 72.34 H new ATOM 0 HB ILE A 34 2.963 7.487 -4.701 1.00 1.21 H new ATOM 0 HG12 ILE A 34 2.717 9.331 -7.097 1.00 50.42 H new ATOM 0 HG13 ILE A 34 2.121 9.759 -5.506 1.00 50.42 H new ATOM 0 HG21 ILE A 34 4.499 7.055 -6.578 1.00 21.10 H new ATOM 0 HG22 ILE A 34 3.295 5.756 -6.401 1.00 21.10 H new ATOM 0 HG23 ILE A 34 3.112 6.971 -7.689 1.00 21.10 H new ATOM 0 HD11 ILE A 34 4.342 10.707 -5.895 1.00 62.23 H new ATOM 0 HD12 ILE A 34 4.395 9.515 -4.575 1.00 62.23 H new ATOM 0 HD13 ILE A 34 4.999 9.080 -6.191 1.00 62.23 H new ATOM 547 N VAL A 35 1.167 5.577 -4.167 1.00 24.20 N ATOM 548 CA VAL A 35 1.003 4.218 -3.666 1.00 45.13 C ATOM 549 C VAL A 35 -0.338 3.632 -4.097 1.00 30.41 C ATOM 550 O VAL A 35 -0.438 2.443 -4.398 1.00 21.51 O ATOM 551 CB VAL A 35 1.101 4.170 -2.129 1.00 2.41 C ATOM 552 CG1 VAL A 35 0.933 2.744 -1.627 1.00 3.33 C ATOM 553 CG2 VAL A 35 2.425 4.756 -1.663 1.00 73.41 C ATOM 0 H VAL A 35 1.477 6.250 -3.466 1.00 24.20 H new ATOM 0 HA VAL A 35 1.811 3.624 -4.093 1.00 45.13 H new ATOM 0 HB VAL A 35 0.295 4.773 -1.711 1.00 2.41 H new ATOM 0 HG11 VAL A 35 1.005 2.730 -0.539 1.00 3.33 H new ATOM 0 HG12 VAL A 35 -0.042 2.364 -1.931 1.00 3.33 H new ATOM 0 HG13 VAL A 35 1.716 2.115 -2.051 1.00 3.33 H new ATOM 0 HG21 VAL A 35 2.478 4.715 -0.575 1.00 73.41 H new ATOM 0 HG22 VAL A 35 3.247 4.181 -2.089 1.00 73.41 H new ATOM 0 HG23 VAL A 35 2.499 5.793 -1.991 1.00 73.41 H new ATOM 563 N TRP A 36 -1.364 4.475 -4.123 1.00 75.41 N ATOM 564 CA TRP A 36 -2.699 4.040 -4.518 1.00 73.51 C ATOM 565 C TRP A 36 -2.722 3.615 -5.982 1.00 25.11 C ATOM 566 O TRP A 36 -3.252 2.558 -6.323 1.00 44.21 O ATOM 567 CB TRP A 36 -3.713 5.161 -4.283 1.00 72.34 C ATOM 568 CG TRP A 36 -5.112 4.785 -4.666 1.00 40.30 C ATOM 569 CD1 TRP A 36 -5.929 3.899 -4.023 1.00 52.31 C ATOM 570 CD2 TRP A 36 -5.858 5.284 -5.782 1.00 71.34 C ATOM 571 NE1 TRP A 36 -7.137 3.818 -4.671 1.00 22.23 N ATOM 572 CE2 TRP A 36 -7.120 4.657 -5.753 1.00 0.52 C ATOM 573 CE3 TRP A 36 -5.585 6.200 -6.801 1.00 13.02 C ATOM 574 CZ2 TRP A 36 -8.102 4.919 -6.705 1.00 54.02 C ATOM 575 CZ3 TRP A 36 -6.560 6.458 -7.745 1.00 30.42 C ATOM 576 CH2 TRP A 36 -7.806 5.820 -7.691 1.00 24.41 C ATOM 0 H TRP A 36 -1.297 5.462 -3.876 1.00 75.41 H new ATOM 0 HA TRP A 36 -2.970 3.180 -3.906 1.00 73.51 H new ATOM 0 HB2 TRP A 36 -3.695 5.443 -3.230 1.00 72.34 H new ATOM 0 HB3 TRP A 36 -3.411 6.040 -4.853 1.00 72.34 H new ATOM 0 HD1 TRP A 36 -5.664 3.344 -3.135 1.00 52.31 H new ATOM 0 HE1 TRP A 36 -7.921 3.228 -4.391 1.00 22.23 H new ATOM 0 HE3 TRP A 36 -4.628 6.698 -6.850 1.00 13.02 H new ATOM 0 HZ2 TRP A 36 -9.063 4.428 -6.666 1.00 54.02 H new ATOM 0 HZ3 TRP A 36 -6.358 7.163 -8.538 1.00 30.42 H new ATOM 0 HH2 TRP A 36 -8.548 6.044 -8.443 1.00 24.41 H new ATOM 587 N ALA A 37 -2.145 4.445 -6.844 1.00 53.11 N ATOM 588 CA ALA A 37 -2.098 4.154 -8.271 1.00 72.31 C ATOM 589 C ALA A 37 -1.265 2.906 -8.550 1.00 55.52 C ATOM 590 O ALA A 37 -1.664 2.044 -9.332 1.00 52.41 O ATOM 591 CB ALA A 37 -1.540 5.345 -9.035 1.00 1.53 C ATOM 0 H ALA A 37 -1.703 5.325 -6.579 1.00 53.11 H new ATOM 0 HA ALA A 37 -3.116 3.963 -8.611 1.00 72.31 H new ATOM 0 HB1 ALA A 37 -1.511 5.113 -10.100 1.00 1.53 H new ATOM 0 HB2 ALA A 37 -2.177 6.214 -8.870 1.00 1.53 H new ATOM 0 HB3 ALA A 37 -0.532 5.563 -8.683 1.00 1.53 H new ATOM 597 N SER A 38 -0.105 2.820 -7.906 1.00 70.45 N ATOM 598 CA SER A 38 0.786 1.680 -8.087 1.00 11.14 C ATOM 599 C SER A 38 0.080 0.375 -7.734 1.00 62.23 C ATOM 600 O SER A 38 0.394 -0.682 -8.280 1.00 72.41 O ATOM 601 CB SER A 38 2.041 1.844 -7.227 1.00 64.11 C ATOM 602 OG SER A 38 1.987 1.008 -6.084 1.00 33.54 O ATOM 0 H SER A 38 0.239 3.526 -7.255 1.00 70.45 H new ATOM 0 HA SER A 38 1.076 1.642 -9.137 1.00 11.14 H new ATOM 0 HB2 SER A 38 2.925 1.602 -7.817 1.00 64.11 H new ATOM 0 HB3 SER A 38 2.140 2.884 -6.917 1.00 64.11 H new ATOM 0 HG SER A 38 1.288 1.329 -5.477 1.00 33.54 H new ATOM 608 N ARG A 39 -0.878 0.458 -6.816 1.00 54.34 N ATOM 609 CA ARG A 39 -1.629 -0.716 -6.386 1.00 41.51 C ATOM 610 C ARG A 39 -2.777 -1.007 -7.347 1.00 23.04 C ATOM 611 O ARG A 39 -3.360 -2.091 -7.322 1.00 10.25 O ATOM 612 CB ARG A 39 -2.173 -0.510 -4.971 1.00 12.13 C ATOM 613 CG ARG A 39 -1.241 -1.011 -3.882 1.00 74.52 C ATOM 614 CD ARG A 39 -1.363 -0.176 -2.616 1.00 32.02 C ATOM 615 NE ARG A 39 -2.715 -0.208 -2.067 1.00 21.35 N ATOM 616 CZ ARG A 39 -3.089 0.480 -0.994 1.00 23.41 C ATOM 617 NH1 ARG A 39 -2.217 1.249 -0.359 1.00 52.32 N ATOM 618 NH2 ARG A 39 -4.339 0.398 -0.555 1.00 74.40 N ATOM 0 H ARG A 39 -1.152 1.326 -6.356 1.00 54.34 H new ATOM 0 HA ARG A 39 -0.952 -1.570 -6.386 1.00 41.51 H new ATOM 0 HB2 ARG A 39 -2.363 0.552 -4.815 1.00 12.13 H new ATOM 0 HB3 ARG A 39 -3.131 -1.022 -4.881 1.00 12.13 H new ATOM 0 HG2 ARG A 39 -1.471 -2.052 -3.656 1.00 74.52 H new ATOM 0 HG3 ARG A 39 -0.212 -0.982 -4.240 1.00 74.52 H new ATOM 0 HD2 ARG A 39 -0.660 -0.545 -1.869 1.00 32.02 H new ATOM 0 HD3 ARG A 39 -1.085 0.855 -2.834 1.00 32.02 H new ATOM 0 HE ARG A 39 -3.411 -0.791 -2.533 1.00 21.35 H new ATOM 0 HH11 ARG A 39 -1.256 1.314 -0.694 1.00 52.32 H new ATOM 0 HH12 ARG A 39 -2.507 1.776 0.465 1.00 52.32 H new ATOM 0 HH21 ARG A 39 -5.013 -0.193 -1.042 1.00 74.40 H new ATOM 0 HH22 ARG A 39 -4.626 0.926 0.269 1.00 74.40 H new ATOM 632 N GLU A 40 -3.097 -0.031 -8.193 1.00 41.13 N ATOM 633 CA GLU A 40 -4.178 -0.183 -9.160 1.00 33.45 C ATOM 634 C GLU A 40 -3.667 -0.820 -10.450 1.00 74.21 C ATOM 635 O GLU A 40 -4.323 -1.687 -11.030 1.00 32.52 O ATOM 636 CB GLU A 40 -4.813 1.174 -9.466 1.00 10.23 C ATOM 637 CG GLU A 40 -6.262 1.080 -9.913 1.00 13.55 C ATOM 638 CD GLU A 40 -7.141 0.376 -8.900 1.00 64.23 C ATOM 639 OE1 GLU A 40 -7.015 0.675 -7.694 1.00 50.32 O ATOM 640 OE2 GLU A 40 -7.958 -0.475 -9.312 1.00 33.00 O ATOM 0 H GLU A 40 -2.623 0.872 -8.228 1.00 41.13 H new ATOM 0 HA GLU A 40 -4.932 -0.839 -8.724 1.00 33.45 H new ATOM 0 HB2 GLU A 40 -4.756 1.801 -8.577 1.00 10.23 H new ATOM 0 HB3 GLU A 40 -4.233 1.670 -10.244 1.00 10.23 H new ATOM 0 HG2 GLU A 40 -6.650 2.083 -10.089 1.00 13.55 H new ATOM 0 HG3 GLU A 40 -6.311 0.548 -10.863 1.00 13.55 H new ATOM 647 N LEU A 41 -2.493 -0.385 -10.893 1.00 11.13 N ATOM 648 CA LEU A 41 -1.893 -0.911 -12.114 1.00 1.35 C ATOM 649 C LEU A 41 -1.831 -2.435 -12.078 1.00 51.42 C ATOM 650 O LEU A 41 -2.113 -3.100 -13.074 1.00 72.52 O ATOM 651 CB LEU A 41 -0.488 -0.337 -12.305 1.00 41.34 C ATOM 652 CG LEU A 41 -0.403 1.178 -12.496 1.00 30.14 C ATOM 653 CD1 LEU A 41 1.049 1.623 -12.596 1.00 64.21 C ATOM 654 CD2 LEU A 41 -1.178 1.604 -13.735 1.00 64.13 C ATOM 0 H LEU A 41 -1.937 0.331 -10.425 1.00 11.13 H new ATOM 0 HA LEU A 41 -2.519 -0.611 -12.954 1.00 1.35 H new ATOM 0 HB2 LEU A 41 0.115 -0.608 -11.438 1.00 41.34 H new ATOM 0 HB3 LEU A 41 -0.035 -0.819 -13.172 1.00 41.34 H new ATOM 0 HG LEU A 41 -0.851 1.660 -11.627 1.00 30.14 H new ATOM 0 HD11 LEU A 41 1.090 2.704 -12.732 1.00 64.21 H new ATOM 0 HD12 LEU A 41 1.576 1.352 -11.681 1.00 64.21 H new ATOM 0 HD13 LEU A 41 1.522 1.132 -13.447 1.00 64.21 H new ATOM 0 HD21 LEU A 41 -1.106 2.685 -13.855 1.00 64.13 H new ATOM 0 HD22 LEU A 41 -0.759 1.113 -14.613 1.00 64.13 H new ATOM 0 HD23 LEU A 41 -2.225 1.320 -13.625 1.00 64.13 H new ATOM 666 N GLU A 42 -1.462 -2.979 -10.923 1.00 50.03 N ATOM 667 CA GLU A 42 -1.364 -4.425 -10.757 1.00 0.52 C ATOM 668 C GLU A 42 -2.678 -5.104 -11.130 1.00 21.32 C ATOM 669 O GLU A 42 -2.695 -6.270 -11.527 1.00 63.45 O ATOM 670 CB GLU A 42 -0.991 -4.771 -9.314 1.00 31.11 C ATOM 671 CG GLU A 42 0.434 -5.277 -9.159 1.00 41.03 C ATOM 672 CD GLU A 42 1.040 -4.911 -7.818 1.00 55.23 C ATOM 673 OE1 GLU A 42 0.277 -4.524 -6.908 1.00 3.54 O ATOM 674 OE2 GLU A 42 2.277 -5.011 -7.679 1.00 70.45 O ATOM 0 H GLU A 42 -1.226 -2.441 -10.089 1.00 50.03 H new ATOM 0 HA GLU A 42 -0.583 -4.790 -11.424 1.00 0.52 H new ATOM 0 HB2 GLU A 42 -1.123 -3.886 -8.691 1.00 31.11 H new ATOM 0 HB3 GLU A 42 -1.680 -5.529 -8.941 1.00 31.11 H new ATOM 0 HG2 GLU A 42 0.445 -6.361 -9.275 1.00 41.03 H new ATOM 0 HG3 GLU A 42 1.051 -4.864 -9.957 1.00 41.03 H new ATOM 681 N ARG A 43 -3.777 -4.368 -11.001 1.00 53.52 N ATOM 682 CA ARG A 43 -5.096 -4.899 -11.323 1.00 71.50 C ATOM 683 C ARG A 43 -5.411 -4.712 -12.805 1.00 35.40 C ATOM 684 O ARG A 43 -6.289 -5.379 -13.352 1.00 10.21 O ATOM 685 CB ARG A 43 -6.167 -4.214 -10.473 1.00 10.13 C ATOM 686 CG ARG A 43 -7.339 -5.116 -10.127 1.00 65.33 C ATOM 687 CD ARG A 43 -7.724 -4.993 -8.661 1.00 73.34 C ATOM 688 NE ARG A 43 -8.929 -5.754 -8.345 1.00 40.11 N ATOM 689 CZ ARG A 43 -9.654 -5.561 -7.248 1.00 4.24 C ATOM 690 NH1 ARG A 43 -9.298 -4.635 -6.369 1.00 63.10 N ATOM 691 NH2 ARG A 43 -10.739 -6.293 -7.032 1.00 74.34 N ATOM 0 H ARG A 43 -3.780 -3.401 -10.675 1.00 53.52 H new ATOM 0 HA ARG A 43 -5.094 -5.966 -11.101 1.00 71.50 H new ATOM 0 HB2 ARG A 43 -5.711 -3.855 -9.550 1.00 10.13 H new ATOM 0 HB3 ARG A 43 -6.538 -3.339 -11.007 1.00 10.13 H new ATOM 0 HG2 ARG A 43 -8.194 -4.858 -10.752 1.00 65.33 H new ATOM 0 HG3 ARG A 43 -7.081 -6.151 -10.351 1.00 65.33 H new ATOM 0 HD2 ARG A 43 -6.900 -5.344 -8.039 1.00 73.34 H new ATOM 0 HD3 ARG A 43 -7.884 -3.943 -8.415 1.00 73.34 H new ATOM 0 HE ARG A 43 -9.231 -6.473 -9.002 1.00 40.11 H new ATOM 0 HH11 ARG A 43 -8.466 -4.069 -6.534 1.00 63.10 H new ATOM 0 HH12 ARG A 43 -9.856 -4.489 -5.528 1.00 63.10 H new ATOM 0 HH21 ARG A 43 -11.017 -7.004 -7.708 1.00 74.34 H new ATOM 0 HH22 ARG A 43 -11.295 -6.144 -6.190 1.00 74.34 H new ATOM 705 N PHE A 44 -4.687 -3.802 -13.448 1.00 73.10 N ATOM 706 CA PHE A 44 -4.890 -3.527 -14.865 1.00 13.23 C ATOM 707 C PHE A 44 -3.903 -4.317 -15.719 1.00 12.12 C ATOM 708 O PHE A 44 -3.641 -3.966 -16.869 1.00 22.55 O ATOM 709 CB PHE A 44 -4.736 -2.030 -15.142 1.00 23.24 C ATOM 710 CG PHE A 44 -6.000 -1.247 -14.924 1.00 10.14 C ATOM 711 CD1 PHE A 44 -6.987 -1.216 -15.896 1.00 42.32 C ATOM 712 CD2 PHE A 44 -6.200 -0.543 -13.748 1.00 15.41 C ATOM 713 CE1 PHE A 44 -8.151 -0.498 -15.698 1.00 14.42 C ATOM 714 CE2 PHE A 44 -7.362 0.177 -13.545 1.00 41.30 C ATOM 715 CZ PHE A 44 -8.338 0.201 -14.521 1.00 5.05 C ATOM 0 H PHE A 44 -3.955 -3.243 -13.010 1.00 73.10 H new ATOM 0 HA PHE A 44 -5.901 -3.837 -15.129 1.00 13.23 H new ATOM 0 HB2 PHE A 44 -3.953 -1.628 -14.498 1.00 23.24 H new ATOM 0 HB3 PHE A 44 -4.405 -1.891 -16.171 1.00 23.24 H new ATOM 0 HD1 PHE A 44 -6.845 -1.759 -16.819 1.00 42.32 H new ATOM 0 HD2 PHE A 44 -5.440 -0.557 -12.981 1.00 15.41 H new ATOM 0 HE1 PHE A 44 -8.914 -0.483 -16.462 1.00 14.42 H new ATOM 0 HE2 PHE A 44 -7.506 0.721 -12.623 1.00 41.30 H new ATOM 0 HZ PHE A 44 -9.246 0.765 -14.365 1.00 5.05 H new ATOM 725 N ALA A 45 -3.357 -5.386 -15.147 1.00 0.32 N ATOM 726 CA ALA A 45 -2.401 -6.227 -15.856 1.00 71.32 C ATOM 727 C ALA A 45 -1.128 -5.455 -16.184 1.00 54.15 C ATOM 728 O ALA A 45 -0.370 -5.835 -17.076 1.00 64.52 O ATOM 729 CB ALA A 45 -3.025 -6.782 -17.127 1.00 23.10 C ATOM 0 H ALA A 45 -3.561 -5.689 -14.195 1.00 0.32 H new ATOM 0 HA ALA A 45 -2.134 -7.058 -15.203 1.00 71.32 H new ATOM 0 HB1 ALA A 45 -2.299 -7.408 -17.646 1.00 23.10 H new ATOM 0 HB2 ALA A 45 -3.901 -7.378 -16.872 1.00 23.10 H new ATOM 0 HB3 ALA A 45 -3.323 -5.958 -17.776 1.00 23.10 H new ATOM 735 N VAL A 46 -0.897 -4.366 -15.456 1.00 2.12 N ATOM 736 CA VAL A 46 0.285 -3.540 -15.669 1.00 1.44 C ATOM 737 C VAL A 46 1.096 -3.400 -14.387 1.00 55.11 C ATOM 738 O VAL A 46 0.553 -3.091 -13.326 1.00 22.03 O ATOM 739 CB VAL A 46 -0.095 -2.136 -16.179 1.00 62.31 C ATOM 740 CG1 VAL A 46 1.146 -1.272 -16.340 1.00 23.32 C ATOM 741 CG2 VAL A 46 -0.861 -2.236 -17.490 1.00 13.20 C ATOM 0 H VAL A 46 -1.514 -4.036 -14.714 1.00 2.12 H new ATOM 0 HA VAL A 46 0.889 -4.042 -16.425 1.00 1.44 H new ATOM 0 HB VAL A 46 -0.743 -1.663 -15.441 1.00 62.31 H new ATOM 0 HG11 VAL A 46 0.858 -0.285 -16.701 1.00 23.32 H new ATOM 0 HG12 VAL A 46 1.649 -1.174 -15.378 1.00 23.32 H new ATOM 0 HG13 VAL A 46 1.823 -1.737 -17.057 1.00 23.32 H new ATOM 0 HG21 VAL A 46 -1.122 -1.236 -17.836 1.00 13.20 H new ATOM 0 HG22 VAL A 46 -0.239 -2.728 -18.238 1.00 13.20 H new ATOM 0 HG23 VAL A 46 -1.771 -2.815 -17.336 1.00 13.20 H new ATOM 751 N ASN A 47 2.402 -3.627 -14.491 1.00 50.02 N ATOM 752 CA ASN A 47 3.289 -3.526 -13.338 1.00 75.22 C ATOM 753 C ASN A 47 3.548 -2.067 -12.977 1.00 70.23 C ATOM 754 O ASN A 47 3.652 -1.196 -13.842 1.00 72.45 O ATOM 755 CB ASN A 47 4.615 -4.236 -13.625 1.00 50.42 C ATOM 756 CG ASN A 47 4.721 -5.571 -12.915 1.00 24.22 C ATOM 757 OD1 ASN A 47 3.990 -6.513 -13.227 1.00 15.45 O ATOM 758 ND2 ASN A 47 5.634 -5.661 -11.956 1.00 42.10 N ATOM 0 H ASN A 47 2.869 -3.882 -15.361 1.00 50.02 H new ATOM 0 HA ASN A 47 2.801 -4.010 -12.492 1.00 75.22 H new ATOM 0 HB2 ASN A 47 4.717 -4.390 -14.699 1.00 50.42 H new ATOM 0 HB3 ASN A 47 5.441 -3.596 -13.315 1.00 50.42 H new ATOM 0 HD21 ASN A 47 5.752 -6.536 -11.444 1.00 42.10 H new ATOM 0 HD22 ASN A 47 6.218 -4.856 -11.731 1.00 42.10 H new ATOM 765 N PRO A 48 3.656 -1.792 -11.668 1.00 11.32 N ATOM 766 CA PRO A 48 3.906 -0.438 -11.162 1.00 30.11 C ATOM 767 C PRO A 48 5.315 0.049 -11.482 1.00 51.44 C ATOM 768 O PRO A 48 5.662 1.196 -11.204 1.00 34.25 O ATOM 769 CB PRO A 48 3.720 -0.586 -9.650 1.00 2.44 C ATOM 770 CG PRO A 48 4.009 -2.021 -9.370 1.00 5.44 C ATOM 771 CD PRO A 48 3.543 -2.779 -10.582 1.00 34.24 C ATOM 0 HA PRO A 48 3.242 0.297 -11.617 1.00 30.11 H new ATOM 0 HB2 PRO A 48 4.398 0.068 -9.102 1.00 2.44 H new ATOM 0 HB3 PRO A 48 2.707 -0.320 -9.348 1.00 2.44 H new ATOM 0 HG2 PRO A 48 5.073 -2.178 -9.196 1.00 5.44 H new ATOM 0 HG3 PRO A 48 3.487 -2.357 -8.474 1.00 5.44 H new ATOM 0 HD2 PRO A 48 4.163 -3.656 -10.770 1.00 34.24 H new ATOM 0 HD3 PRO A 48 2.518 -3.132 -10.465 1.00 34.24 H new ATOM 779 N GLY A 49 6.123 -0.831 -12.065 1.00 24.30 N ATOM 780 CA GLY A 49 7.486 -0.471 -12.412 1.00 44.40 C ATOM 781 C GLY A 49 7.548 0.542 -13.538 1.00 25.22 C ATOM 782 O GLY A 49 8.591 1.152 -13.777 1.00 12.15 O ATOM 0 H GLY A 49 5.858 -1.787 -12.303 1.00 24.30 H new ATOM 0 HA2 GLY A 49 7.986 -0.064 -11.533 1.00 44.40 H new ATOM 0 HA3 GLY A 49 8.033 -1.368 -12.703 1.00 44.40 H new ATOM 786 N LEU A 50 6.430 0.722 -14.234 1.00 71.53 N ATOM 787 CA LEU A 50 6.362 1.667 -15.343 1.00 52.42 C ATOM 788 C LEU A 50 6.088 3.080 -14.837 1.00 24.43 C ATOM 789 O LEU A 50 5.855 3.998 -15.625 1.00 2.24 O ATOM 790 CB LEU A 50 5.274 1.245 -16.332 1.00 14.32 C ATOM 791 CG LEU A 50 5.349 -0.195 -16.837 1.00 22.14 C ATOM 792 CD1 LEU A 50 4.042 -0.596 -17.503 1.00 44.22 C ATOM 793 CD2 LEU A 50 6.513 -0.363 -17.803 1.00 54.24 C ATOM 0 H LEU A 50 5.558 0.226 -14.049 1.00 71.53 H new ATOM 0 HA LEU A 50 7.326 1.664 -15.852 1.00 52.42 H new ATOM 0 HB2 LEU A 50 4.303 1.393 -15.858 1.00 14.32 H new ATOM 0 HB3 LEU A 50 5.314 1.913 -17.192 1.00 14.32 H new ATOM 0 HG LEU A 50 5.515 -0.850 -15.982 1.00 22.14 H new ATOM 0 HD11 LEU A 50 4.114 -1.625 -17.856 1.00 44.22 H new ATOM 0 HD12 LEU A 50 3.227 -0.516 -16.783 1.00 44.22 H new ATOM 0 HD13 LEU A 50 3.846 0.065 -18.347 1.00 44.22 H new ATOM 0 HD21 LEU A 50 6.550 -1.395 -18.152 1.00 54.24 H new ATOM 0 HD22 LEU A 50 6.378 0.303 -18.655 1.00 54.24 H new ATOM 0 HD23 LEU A 50 7.446 -0.118 -17.295 1.00 54.24 H new ATOM 805 N LEU A 51 6.117 3.248 -13.520 1.00 72.31 N ATOM 806 CA LEU A 51 5.873 4.550 -12.909 1.00 31.44 C ATOM 807 C LEU A 51 7.159 5.367 -12.838 1.00 1.21 C ATOM 808 O LEU A 51 7.121 6.593 -12.733 1.00 63.53 O ATOM 809 CB LEU A 51 5.287 4.375 -11.507 1.00 51.32 C ATOM 810 CG LEU A 51 3.963 3.616 -11.422 1.00 71.20 C ATOM 811 CD1 LEU A 51 3.610 3.318 -9.974 1.00 72.01 C ATOM 812 CD2 LEU A 51 2.850 4.408 -12.093 1.00 70.44 C ATOM 0 H LEU A 51 6.307 2.499 -12.854 1.00 72.31 H new ATOM 0 HA LEU A 51 5.157 5.088 -13.530 1.00 31.44 H new ATOM 0 HB2 LEU A 51 6.021 3.855 -10.891 1.00 51.32 H new ATOM 0 HB3 LEU A 51 5.145 5.363 -11.069 1.00 51.32 H new ATOM 0 HG LEU A 51 4.075 2.668 -11.949 1.00 71.20 H new ATOM 0 HD11 LEU A 51 2.664 2.777 -9.934 1.00 72.01 H new ATOM 0 HD12 LEU A 51 4.395 2.709 -9.526 1.00 72.01 H new ATOM 0 HD13 LEU A 51 3.517 4.253 -9.422 1.00 72.01 H new ATOM 0 HD21 LEU A 51 1.915 3.852 -12.023 1.00 70.44 H new ATOM 0 HD22 LEU A 51 2.738 5.371 -11.595 1.00 70.44 H new ATOM 0 HD23 LEU A 51 3.099 4.568 -13.142 1.00 70.44 H new ATOM 824 N GLU A 52 8.295 4.680 -12.898 1.00 10.24 N ATOM 825 CA GLU A 52 9.592 5.344 -12.842 1.00 52.02 C ATOM 826 C GLU A 52 10.123 5.621 -14.245 1.00 62.00 C ATOM 827 O GLU A 52 11.331 5.743 -14.453 1.00 41.14 O ATOM 828 CB GLU A 52 10.595 4.487 -12.065 1.00 1.21 C ATOM 829 CG GLU A 52 11.011 3.223 -12.798 1.00 71.11 C ATOM 830 CD GLU A 52 12.410 3.318 -13.376 1.00 62.51 C ATOM 831 OE1 GLU A 52 13.280 3.935 -12.727 1.00 3.12 O ATOM 832 OE2 GLU A 52 12.635 2.773 -14.478 1.00 45.33 O ATOM 0 H GLU A 52 8.344 3.665 -12.985 1.00 10.24 H new ATOM 0 HA GLU A 52 9.462 6.296 -12.327 1.00 52.02 H new ATOM 0 HB2 GLU A 52 11.483 5.083 -11.854 1.00 1.21 H new ATOM 0 HB3 GLU A 52 10.159 4.213 -11.104 1.00 1.21 H new ATOM 0 HG2 GLU A 52 10.962 2.377 -12.113 1.00 71.11 H new ATOM 0 HG3 GLU A 52 10.302 3.024 -13.602 1.00 71.11 H new ATOM 839 N THR A 53 9.211 5.720 -15.207 1.00 12.45 N ATOM 840 CA THR A 53 9.586 5.981 -16.591 1.00 11.55 C ATOM 841 C THR A 53 8.511 6.788 -17.310 1.00 24.00 C ATOM 842 O THR A 53 7.418 6.286 -17.576 1.00 54.13 O ATOM 843 CB THR A 53 9.830 4.671 -17.364 1.00 14.33 C ATOM 844 OG1 THR A 53 8.581 4.102 -17.770 1.00 34.45 O ATOM 845 CG2 THR A 53 10.595 3.673 -16.508 1.00 22.22 C ATOM 0 H THR A 53 8.207 5.623 -15.053 1.00 12.45 H new ATOM 0 HA THR A 53 10.511 6.556 -16.564 1.00 11.55 H new ATOM 0 HB THR A 53 10.427 4.901 -18.247 1.00 14.33 H new ATOM 0 HG1 THR A 53 7.845 4.614 -17.375 1.00 34.45 H new ATOM 0 HG21 THR A 53 10.756 2.756 -17.074 1.00 22.22 H new ATOM 0 HG22 THR A 53 11.558 4.099 -16.226 1.00 22.22 H new ATOM 0 HG23 THR A 53 10.020 3.449 -15.609 1.00 22.22 H new ATOM 853 N SER A 54 8.826 8.040 -17.623 1.00 53.32 N ATOM 854 CA SER A 54 7.885 8.918 -18.307 1.00 2.34 C ATOM 855 C SER A 54 7.338 8.251 -19.566 1.00 41.40 C ATOM 856 O SER A 54 6.230 8.553 -20.009 1.00 14.32 O ATOM 857 CB SER A 54 8.561 10.242 -18.671 1.00 62.20 C ATOM 858 OG SER A 54 7.752 11.346 -18.303 1.00 61.24 O ATOM 0 H SER A 54 9.727 8.470 -17.413 1.00 53.32 H new ATOM 0 HA SER A 54 7.054 9.117 -17.630 1.00 2.34 H new ATOM 0 HB2 SER A 54 9.526 10.311 -18.169 1.00 62.20 H new ATOM 0 HB3 SER A 54 8.756 10.272 -19.743 1.00 62.20 H new ATOM 0 HG SER A 54 6.933 11.345 -18.841 1.00 61.24 H new ATOM 864 N GLU A 55 8.123 7.343 -20.136 1.00 11.12 N ATOM 865 CA GLU A 55 7.718 6.633 -21.344 1.00 2.44 C ATOM 866 C GLU A 55 6.757 5.496 -21.011 1.00 53.21 C ATOM 867 O GLU A 55 5.862 5.177 -21.791 1.00 24.34 O ATOM 868 CB GLU A 55 8.945 6.082 -22.074 1.00 44.03 C ATOM 869 CG GLU A 55 9.330 6.883 -23.306 1.00 32.34 C ATOM 870 CD GLU A 55 10.475 7.842 -23.044 1.00 22.51 C ATOM 871 OE1 GLU A 55 10.223 8.925 -22.477 1.00 43.44 O ATOM 872 OE2 GLU A 55 11.623 7.509 -23.407 1.00 54.51 O ATOM 0 H GLU A 55 9.043 7.081 -19.781 1.00 11.12 H new ATOM 0 HA GLU A 55 7.204 7.340 -21.995 1.00 2.44 H new ATOM 0 HB2 GLU A 55 9.789 6.063 -21.385 1.00 44.03 H new ATOM 0 HB3 GLU A 55 8.750 5.051 -22.368 1.00 44.03 H new ATOM 0 HG2 GLU A 55 9.610 6.199 -24.107 1.00 32.34 H new ATOM 0 HG3 GLU A 55 8.463 7.444 -23.655 1.00 32.34 H new ATOM 879 N GLY A 56 6.950 4.888 -19.844 1.00 55.32 N ATOM 880 CA GLY A 56 6.095 3.793 -19.427 1.00 2.54 C ATOM 881 C GLY A 56 4.809 4.274 -18.785 1.00 52.14 C ATOM 882 O GLY A 56 3.824 3.537 -18.723 1.00 2.12 O ATOM 0 H GLY A 56 7.684 5.135 -19.180 1.00 55.32 H new ATOM 0 HA2 GLY A 56 5.856 3.173 -20.291 1.00 2.54 H new ATOM 0 HA3 GLY A 56 6.636 3.162 -18.722 1.00 2.54 H new ATOM 886 N CYS A 57 4.818 5.511 -18.302 1.00 53.41 N ATOM 887 CA CYS A 57 3.644 6.090 -17.658 1.00 52.14 C ATOM 888 C CYS A 57 2.571 6.430 -18.687 1.00 41.41 C ATOM 889 O CYS A 57 1.383 6.206 -18.457 1.00 30.33 O ATOM 890 CB CYS A 57 4.033 7.344 -16.873 1.00 65.41 C ATOM 891 SG CYS A 57 5.175 7.035 -15.506 1.00 44.31 S ATOM 0 H CYS A 57 5.625 6.133 -18.344 1.00 53.41 H new ATOM 0 HA CYS A 57 3.237 5.351 -16.968 1.00 52.14 H new ATOM 0 HB2 CYS A 57 4.487 8.061 -17.557 1.00 65.41 H new ATOM 0 HB3 CYS A 57 3.129 7.808 -16.479 1.00 65.41 H new ATOM 0 HG CYS A 57 5.554 5.792 -15.529 1.00 44.31 H new ATOM 897 N ARG A 58 2.999 6.976 -19.820 1.00 1.31 N ATOM 898 CA ARG A 58 2.075 7.351 -20.884 1.00 44.42 C ATOM 899 C ARG A 58 1.162 6.184 -21.247 1.00 32.21 C ATOM 900 O ARG A 58 -0.037 6.365 -21.461 1.00 31.42 O ATOM 901 CB ARG A 58 2.848 7.812 -22.121 1.00 2.53 C ATOM 902 CG ARG A 58 2.397 9.163 -22.652 1.00 45.30 C ATOM 903 CD ARG A 58 3.487 9.831 -23.476 1.00 62.10 C ATOM 904 NE ARG A 58 3.778 9.090 -24.701 1.00 52.53 N ATOM 905 CZ ARG A 58 4.630 9.512 -25.629 1.00 42.51 C ATOM 906 NH1 ARG A 58 5.270 10.663 -25.472 1.00 11.23 N ATOM 907 NH2 ARG A 58 4.842 8.783 -26.717 1.00 73.42 N ATOM 0 H ARG A 58 3.979 7.169 -20.025 1.00 1.31 H new ATOM 0 HA ARG A 58 1.458 8.174 -20.522 1.00 44.42 H new ATOM 0 HB2 ARG A 58 3.909 7.862 -21.878 1.00 2.53 H new ATOM 0 HB3 ARG A 58 2.736 7.066 -22.908 1.00 2.53 H new ATOM 0 HG2 ARG A 58 1.504 9.035 -23.264 1.00 45.30 H new ATOM 0 HG3 ARG A 58 2.122 9.809 -21.818 1.00 45.30 H new ATOM 0 HD2 ARG A 58 3.179 10.845 -23.730 1.00 62.10 H new ATOM 0 HD3 ARG A 58 4.395 9.914 -22.878 1.00 62.10 H new ATOM 0 HE ARG A 58 3.301 8.201 -24.852 1.00 52.53 H new ATOM 0 HH11 ARG A 58 5.109 11.227 -24.637 1.00 11.23 H new ATOM 0 HH12 ARG A 58 5.924 10.985 -26.186 1.00 11.23 H new ATOM 0 HH21 ARG A 58 4.351 7.898 -26.842 1.00 73.42 H new ATOM 0 HH22 ARG A 58 5.496 9.108 -27.429 1.00 73.42 H new ATOM 921 N GLN A 59 1.737 4.988 -21.316 1.00 12.13 N ATOM 922 CA GLN A 59 0.975 3.793 -21.655 1.00 34.22 C ATOM 923 C GLN A 59 -0.220 3.626 -20.723 1.00 43.31 C ATOM 924 O GLN A 59 -1.228 3.021 -21.092 1.00 15.11 O ATOM 925 CB GLN A 59 1.870 2.554 -21.581 1.00 34.55 C ATOM 926 CG GLN A 59 1.631 1.562 -22.709 1.00 64.10 C ATOM 927 CD GLN A 59 0.572 0.533 -22.365 1.00 74.43 C ATOM 928 OE1 GLN A 59 0.797 -0.355 -21.542 1.00 50.55 O ATOM 929 NE2 GLN A 59 -0.591 0.646 -22.995 1.00 2.12 N ATOM 0 H GLN A 59 2.728 4.821 -21.142 1.00 12.13 H new ATOM 0 HA GLN A 59 0.605 3.906 -22.674 1.00 34.22 H new ATOM 0 HB2 GLN A 59 2.914 2.868 -21.600 1.00 34.55 H new ATOM 0 HB3 GLN A 59 1.705 2.053 -20.627 1.00 34.55 H new ATOM 0 HG2 GLN A 59 1.329 2.103 -23.606 1.00 64.10 H new ATOM 0 HG3 GLN A 59 2.565 1.052 -22.944 1.00 64.10 H new ATOM 0 HE21 GLN A 59 -0.735 1.397 -23.670 1.00 2.12 H new ATOM 0 HE22 GLN A 59 -1.341 -0.019 -22.804 1.00 2.12 H new ATOM 938 N ILE A 60 -0.102 4.168 -19.516 1.00 72.22 N ATOM 939 CA ILE A 60 -1.174 4.080 -18.532 1.00 72.11 C ATOM 940 C ILE A 60 -2.361 4.947 -18.933 1.00 64.02 C ATOM 941 O ILE A 60 -3.517 4.556 -18.763 1.00 33.11 O ATOM 942 CB ILE A 60 -0.690 4.506 -17.133 1.00 71.12 C ATOM 943 CG1 ILE A 60 0.612 3.786 -16.778 1.00 21.23 C ATOM 944 CG2 ILE A 60 -1.762 4.219 -16.091 1.00 12.45 C ATOM 945 CD1 ILE A 60 1.274 4.315 -15.524 1.00 4.53 C ATOM 0 H ILE A 60 0.725 4.673 -19.196 1.00 72.22 H new ATOM 0 HA ILE A 60 -1.486 3.036 -18.497 1.00 72.11 H new ATOM 0 HB ILE A 60 -0.498 5.579 -17.143 1.00 71.12 H new ATOM 0 HG12 ILE A 60 0.406 2.723 -16.650 1.00 21.23 H new ATOM 0 HG13 ILE A 60 1.307 3.878 -17.612 1.00 21.23 H new ATOM 0 HG21 ILE A 60 -1.405 4.525 -15.108 1.00 12.45 H new ATOM 0 HG22 ILE A 60 -2.667 4.774 -16.338 1.00 12.45 H new ATOM 0 HG23 ILE A 60 -1.983 3.152 -16.080 1.00 12.45 H new ATOM 0 HD11 ILE A 60 2.191 3.758 -15.334 1.00 4.53 H new ATOM 0 HD12 ILE A 60 1.511 5.371 -15.656 1.00 4.53 H new ATOM 0 HD13 ILE A 60 0.597 4.198 -14.678 1.00 4.53 H new ATOM 957 N LEU A 61 -2.070 6.127 -19.470 1.00 44.45 N ATOM 958 CA LEU A 61 -3.114 7.052 -19.898 1.00 41.00 C ATOM 959 C LEU A 61 -3.755 6.583 -21.201 1.00 71.45 C ATOM 960 O LEU A 61 -4.870 6.982 -21.535 1.00 72.24 O ATOM 961 CB LEU A 61 -2.537 8.457 -20.077 1.00 22.34 C ATOM 962 CG LEU A 61 -1.811 9.043 -18.866 1.00 4.43 C ATOM 963 CD1 LEU A 61 -0.784 10.075 -19.308 1.00 71.42 C ATOM 964 CD2 LEU A 61 -2.806 9.662 -17.895 1.00 5.25 C ATOM 0 H LEU A 61 -1.120 6.466 -19.619 1.00 44.45 H new ATOM 0 HA LEU A 61 -3.882 7.078 -19.125 1.00 41.00 H new ATOM 0 HB2 LEU A 61 -1.843 8.439 -20.918 1.00 22.34 H new ATOM 0 HB3 LEU A 61 -3.350 9.130 -20.349 1.00 22.34 H new ATOM 0 HG LEU A 61 -1.288 8.235 -18.354 1.00 4.43 H new ATOM 0 HD11 LEU A 61 -0.277 10.482 -18.433 1.00 71.42 H new ATOM 0 HD12 LEU A 61 -0.053 9.603 -19.964 1.00 71.42 H new ATOM 0 HD13 LEU A 61 -1.285 10.881 -19.844 1.00 71.42 H new ATOM 0 HD21 LEU A 61 -2.271 10.074 -17.039 1.00 5.25 H new ATOM 0 HD22 LEU A 61 -3.357 10.458 -18.396 1.00 5.25 H new ATOM 0 HD23 LEU A 61 -3.504 8.898 -17.553 1.00 5.25 H new ATOM 976 N GLY A 62 -3.043 5.732 -21.932 1.00 12.04 N ATOM 977 CA GLY A 62 -3.559 5.221 -23.189 1.00 74.34 C ATOM 978 C GLY A 62 -4.634 4.173 -22.989 1.00 25.55 C ATOM 979 O GLY A 62 -5.358 3.832 -23.925 1.00 30.53 O ATOM 0 H GLY A 62 -2.118 5.387 -21.677 1.00 12.04 H new ATOM 0 HA2 GLY A 62 -3.964 6.046 -23.774 1.00 74.34 H new ATOM 0 HA3 GLY A 62 -2.740 4.792 -23.767 1.00 74.34 H new ATOM 983 N GLN A 63 -4.740 3.658 -21.768 1.00 61.21 N ATOM 984 CA GLN A 63 -5.734 2.640 -21.451 1.00 63.21 C ATOM 985 C GLN A 63 -6.965 3.265 -20.803 1.00 60.43 C ATOM 986 O GLN A 63 -8.019 2.634 -20.709 1.00 43.21 O ATOM 987 CB GLN A 63 -5.134 1.583 -20.522 1.00 45.01 C ATOM 988 CG GLN A 63 -4.597 0.364 -21.255 1.00 45.33 C ATOM 989 CD GLN A 63 -5.697 -0.578 -21.704 1.00 12.34 C ATOM 990 OE1 GLN A 63 -6.087 -0.582 -22.871 1.00 25.25 O ATOM 991 NE2 GLN A 63 -6.202 -1.384 -20.778 1.00 52.05 N ATOM 0 H GLN A 63 -4.149 3.929 -20.982 1.00 61.21 H new ATOM 0 HA GLN A 63 -6.039 2.163 -22.382 1.00 63.21 H new ATOM 0 HB2 GLN A 63 -4.327 2.034 -19.945 1.00 45.01 H new ATOM 0 HB3 GLN A 63 -5.895 1.263 -19.810 1.00 45.01 H new ATOM 0 HG2 GLN A 63 -4.026 0.690 -22.124 1.00 45.33 H new ATOM 0 HG3 GLN A 63 -3.908 -0.173 -20.603 1.00 45.33 H new ATOM 0 HE21 GLN A 63 -5.849 -1.347 -19.822 1.00 52.05 H new ATOM 0 HE22 GLN A 63 -6.943 -2.040 -21.023 1.00 52.05 H new ATOM 1000 N LEU A 64 -6.825 4.507 -20.354 1.00 1.21 N ATOM 1001 CA LEU A 64 -7.926 5.219 -19.713 1.00 72.45 C ATOM 1002 C LEU A 64 -8.475 6.309 -20.626 1.00 15.33 C ATOM 1003 O LEU A 64 -9.685 6.524 -20.694 1.00 53.01 O ATOM 1004 CB LEU A 64 -7.461 5.831 -18.391 1.00 53.43 C ATOM 1005 CG LEU A 64 -6.751 4.882 -17.423 1.00 4.24 C ATOM 1006 CD1 LEU A 64 -6.263 5.637 -16.197 1.00 50.33 C ATOM 1007 CD2 LEU A 64 -7.675 3.743 -17.019 1.00 1.54 C ATOM 0 H LEU A 64 -5.960 5.043 -20.422 1.00 1.21 H new ATOM 0 HA LEU A 64 -8.723 4.503 -19.515 1.00 72.45 H new ATOM 0 HB2 LEU A 64 -6.789 6.660 -18.614 1.00 53.43 H new ATOM 0 HB3 LEU A 64 -8.329 6.252 -17.884 1.00 53.43 H new ATOM 0 HG LEU A 64 -5.885 4.457 -17.930 1.00 4.24 H new ATOM 0 HD11 LEU A 64 -5.761 4.946 -15.520 1.00 50.33 H new ATOM 0 HD12 LEU A 64 -5.565 6.416 -16.503 1.00 50.33 H new ATOM 0 HD13 LEU A 64 -7.113 6.091 -15.687 1.00 50.33 H new ATOM 0 HD21 LEU A 64 -7.153 3.078 -16.331 1.00 1.54 H new ATOM 0 HD22 LEU A 64 -8.561 4.149 -16.530 1.00 1.54 H new ATOM 0 HD23 LEU A 64 -7.974 3.185 -17.906 1.00 1.54 H new ATOM 1019 N GLN A 65 -7.577 6.994 -21.328 1.00 31.14 N ATOM 1020 CA GLN A 65 -7.973 8.062 -22.239 1.00 22.53 C ATOM 1021 C GLN A 65 -9.168 7.638 -23.087 1.00 1.32 C ATOM 1022 O GLN A 65 -10.223 8.272 -23.077 1.00 32.45 O ATOM 1023 CB GLN A 65 -6.802 8.449 -23.143 1.00 14.43 C ATOM 1024 CG GLN A 65 -7.232 9.002 -24.493 1.00 43.53 C ATOM 1025 CD GLN A 65 -8.197 10.165 -24.366 1.00 50.21 C ATOM 1026 OE1 GLN A 65 -9.303 10.130 -24.906 1.00 42.44 O ATOM 1027 NE2 GLN A 65 -7.781 11.204 -23.652 1.00 64.25 N ATOM 0 H GLN A 65 -6.572 6.829 -21.283 1.00 31.14 H new ATOM 0 HA GLN A 65 -8.263 8.927 -21.642 1.00 22.53 H new ATOM 0 HB2 GLN A 65 -6.191 9.193 -22.633 1.00 14.43 H new ATOM 0 HB3 GLN A 65 -6.172 7.574 -23.302 1.00 14.43 H new ATOM 0 HG2 GLN A 65 -6.350 9.325 -25.047 1.00 43.53 H new ATOM 0 HG3 GLN A 65 -7.700 8.208 -25.074 1.00 43.53 H new ATOM 0 HE21 GLN A 65 -6.856 11.190 -23.222 1.00 64.25 H new ATOM 0 HE22 GLN A 65 -8.386 12.016 -23.533 1.00 64.25 H new ATOM 1036 N PRO A 66 -9.000 6.541 -23.841 1.00 22.20 N ATOM 1037 CA PRO A 66 -10.054 6.009 -24.710 1.00 32.42 C ATOM 1038 C PRO A 66 -11.209 5.406 -23.917 1.00 55.11 C ATOM 1039 O PRO A 66 -12.240 5.043 -24.483 1.00 40.13 O ATOM 1040 CB PRO A 66 -9.335 4.923 -25.515 1.00 4.31 C ATOM 1041 CG PRO A 66 -8.195 4.504 -24.653 1.00 52.41 C ATOM 1042 CD PRO A 66 -7.769 5.737 -23.903 1.00 75.45 C ATOM 0 HA PRO A 66 -10.506 6.787 -25.325 1.00 32.42 H new ATOM 0 HB2 PRO A 66 -9.998 4.085 -25.729 1.00 4.31 H new ATOM 0 HB3 PRO A 66 -8.986 5.307 -26.474 1.00 4.31 H new ATOM 0 HG2 PRO A 66 -8.495 3.713 -23.966 1.00 52.41 H new ATOM 0 HG3 PRO A 66 -7.375 4.110 -25.254 1.00 52.41 H new ATOM 0 HD2 PRO A 66 -7.398 5.494 -22.908 1.00 75.45 H new ATOM 0 HD3 PRO A 66 -6.969 6.266 -24.421 1.00 75.45 H new ATOM 1050 N SER A 67 -11.030 5.304 -22.604 1.00 11.51 N ATOM 1051 CA SER A 67 -12.057 4.744 -21.734 1.00 73.42 C ATOM 1052 C SER A 67 -12.798 5.847 -20.986 1.00 4.10 C ATOM 1053 O SER A 67 -13.816 5.599 -20.338 1.00 20.12 O ATOM 1054 CB SER A 67 -11.431 3.767 -20.735 1.00 1.45 C ATOM 1055 OG SER A 67 -11.740 2.426 -21.073 1.00 50.04 O ATOM 0 H SER A 67 -10.183 5.602 -22.119 1.00 11.51 H new ATOM 0 HA SER A 67 -12.773 4.208 -22.357 1.00 73.42 H new ATOM 0 HB2 SER A 67 -10.349 3.901 -20.719 1.00 1.45 H new ATOM 0 HB3 SER A 67 -11.795 3.986 -19.731 1.00 1.45 H new ATOM 0 HG SER A 67 -11.328 1.821 -20.421 1.00 50.04 H new ATOM 1061 N LEU A 68 -12.282 7.068 -21.081 1.00 34.43 N ATOM 1062 CA LEU A 68 -12.893 8.211 -20.414 1.00 0.53 C ATOM 1063 C LEU A 68 -14.340 8.392 -20.861 1.00 2.03 C ATOM 1064 O LEU A 68 -15.182 8.863 -20.097 1.00 73.24 O ATOM 1065 CB LEU A 68 -12.095 9.484 -20.706 1.00 21.00 C ATOM 1066 CG LEU A 68 -10.830 9.688 -19.872 1.00 73.42 C ATOM 1067 CD1 LEU A 68 -9.888 10.662 -20.561 1.00 54.02 C ATOM 1068 CD2 LEU A 68 -11.185 10.183 -18.477 1.00 45.32 C ATOM 0 H LEU A 68 -11.441 7.291 -21.614 1.00 34.43 H new ATOM 0 HA LEU A 68 -12.884 8.021 -19.341 1.00 0.53 H new ATOM 0 HB2 LEU A 68 -11.815 9.480 -21.759 1.00 21.00 H new ATOM 0 HB3 LEU A 68 -12.749 10.342 -20.553 1.00 21.00 H new ATOM 0 HG LEU A 68 -10.322 8.728 -19.777 1.00 73.42 H new ATOM 0 HD11 LEU A 68 -8.993 10.795 -19.953 1.00 54.02 H new ATOM 0 HD12 LEU A 68 -9.608 10.268 -21.538 1.00 54.02 H new ATOM 0 HD13 LEU A 68 -10.387 11.623 -20.687 1.00 54.02 H new ATOM 0 HD21 LEU A 68 -10.273 10.323 -17.897 1.00 45.32 H new ATOM 0 HD22 LEU A 68 -11.716 11.132 -18.552 1.00 45.32 H new ATOM 0 HD23 LEU A 68 -11.821 9.449 -17.981 1.00 45.32 H new ATOM 1080 N GLN A 69 -14.622 8.013 -22.104 1.00 62.13 N ATOM 1081 CA GLN A 69 -15.969 8.132 -22.652 1.00 72.45 C ATOM 1082 C GLN A 69 -16.995 7.503 -21.715 1.00 60.33 C ATOM 1083 O GLN A 69 -18.038 8.094 -21.431 1.00 12.00 O ATOM 1084 CB GLN A 69 -16.042 7.469 -24.028 1.00 64.23 C ATOM 1085 CG GLN A 69 -16.639 8.363 -25.103 1.00 43.51 C ATOM 1086 CD GLN A 69 -18.134 8.166 -25.263 1.00 55.11 C ATOM 1087 OE1 GLN A 69 -18.933 8.964 -24.772 1.00 13.34 O ATOM 1088 NE2 GLN A 69 -18.520 7.099 -25.953 1.00 61.13 N ATOM 0 H GLN A 69 -13.937 7.621 -22.750 1.00 62.13 H new ATOM 0 HA GLN A 69 -16.201 9.192 -22.755 1.00 72.45 H new ATOM 0 HB2 GLN A 69 -15.039 7.170 -24.332 1.00 64.23 H new ATOM 0 HB3 GLN A 69 -16.637 6.559 -23.952 1.00 64.23 H new ATOM 0 HG2 GLN A 69 -16.438 9.405 -24.856 1.00 43.51 H new ATOM 0 HG3 GLN A 69 -16.146 8.160 -26.054 1.00 43.51 H new ATOM 0 HE21 GLN A 69 -17.823 6.464 -26.342 1.00 61.13 H new ATOM 0 HE22 GLN A 69 -19.513 6.915 -26.094 1.00 61.13 H new ATOM 1097 N THR A 70 -16.693 6.300 -21.237 1.00 63.04 N ATOM 1098 CA THR A 70 -17.589 5.589 -20.333 1.00 44.51 C ATOM 1099 C THR A 70 -16.828 5.008 -19.148 1.00 61.33 C ATOM 1100 O THR A 70 -17.050 3.862 -18.758 1.00 53.30 O ATOM 1101 CB THR A 70 -18.334 4.453 -21.059 1.00 10.22 C ATOM 1102 OG1 THR A 70 -17.415 3.693 -21.851 1.00 55.13 O ATOM 1103 CG2 THR A 70 -19.437 5.009 -21.948 1.00 64.44 C ATOM 0 H THR A 70 -15.834 5.797 -21.461 1.00 63.04 H new ATOM 0 HA THR A 70 -18.316 6.317 -19.972 1.00 44.51 H new ATOM 0 HB THR A 70 -18.787 3.807 -20.307 1.00 10.22 H new ATOM 0 HG1 THR A 70 -17.896 2.972 -22.308 1.00 55.13 H new ATOM 0 HG21 THR A 70 -19.948 4.188 -22.450 1.00 64.44 H new ATOM 0 HG22 THR A 70 -20.151 5.563 -21.339 1.00 64.44 H new ATOM 0 HG23 THR A 70 -19.003 5.675 -22.693 1.00 64.44 H new ATOM 1111 N GLY A 71 -15.929 5.804 -18.578 1.00 1.14 N ATOM 1112 CA GLY A 71 -15.149 5.351 -17.443 1.00 74.45 C ATOM 1113 C GLY A 71 -15.728 5.811 -16.120 1.00 54.34 C ATOM 1114 O GLY A 71 -15.969 7.002 -15.921 1.00 11.24 O ATOM 0 H GLY A 71 -15.727 6.756 -18.883 1.00 1.14 H new ATOM 0 HA2 GLY A 71 -15.096 4.262 -17.454 1.00 74.45 H new ATOM 0 HA3 GLY A 71 -14.128 5.721 -17.537 1.00 74.45 H new ATOM 1118 N SER A 72 -15.953 4.867 -15.213 1.00 53.11 N ATOM 1119 CA SER A 72 -16.513 5.182 -13.903 1.00 2.31 C ATOM 1120 C SER A 72 -15.639 6.193 -13.168 1.00 14.14 C ATOM 1121 O SER A 72 -14.532 6.507 -13.606 1.00 1.41 O ATOM 1122 CB SER A 72 -16.654 3.909 -13.066 1.00 44.42 C ATOM 1123 OG SER A 72 -15.429 3.570 -12.441 1.00 1.03 O ATOM 0 H SER A 72 -15.756 3.877 -15.360 1.00 53.11 H new ATOM 0 HA SER A 72 -17.499 5.621 -14.053 1.00 2.31 H new ATOM 0 HB2 SER A 72 -17.425 4.052 -12.309 1.00 44.42 H new ATOM 0 HB3 SER A 72 -16.981 3.086 -13.702 1.00 44.42 H new ATOM 0 HG SER A 72 -15.530 3.631 -11.468 1.00 1.03 H new ATOM 1129 N GLU A 73 -16.144 6.699 -12.048 1.00 41.43 N ATOM 1130 CA GLU A 73 -15.411 7.676 -11.251 1.00 34.25 C ATOM 1131 C GLU A 73 -13.990 7.192 -10.972 1.00 52.32 C ATOM 1132 O GLU A 73 -13.029 7.948 -11.110 1.00 61.34 O ATOM 1133 CB GLU A 73 -16.139 7.943 -9.932 1.00 31.25 C ATOM 1134 CG GLU A 73 -17.221 9.004 -10.040 1.00 52.02 C ATOM 1135 CD GLU A 73 -18.499 8.609 -9.325 1.00 50.12 C ATOM 1136 OE1 GLU A 73 -19.107 7.591 -9.716 1.00 55.22 O ATOM 1137 OE2 GLU A 73 -18.889 9.317 -8.373 1.00 10.45 O ATOM 0 H GLU A 73 -17.058 6.449 -11.671 1.00 41.43 H new ATOM 0 HA GLU A 73 -15.356 8.604 -11.820 1.00 34.25 H new ATOM 0 HB2 GLU A 73 -16.586 7.014 -9.579 1.00 31.25 H new ATOM 0 HB3 GLU A 73 -15.412 8.252 -9.181 1.00 31.25 H new ATOM 0 HG2 GLU A 73 -16.850 9.940 -9.622 1.00 52.02 H new ATOM 0 HG3 GLU A 73 -17.440 9.189 -11.092 1.00 52.02 H new ATOM 1144 N GLU A 74 -13.868 5.929 -10.578 1.00 3.12 N ATOM 1145 CA GLU A 74 -12.566 5.345 -10.278 1.00 34.13 C ATOM 1146 C GLU A 74 -11.594 5.558 -11.435 1.00 5.35 C ATOM 1147 O GLU A 74 -10.381 5.637 -11.236 1.00 13.11 O ATOM 1148 CB GLU A 74 -12.707 3.850 -9.986 1.00 65.34 C ATOM 1149 CG GLU A 74 -13.096 3.545 -8.549 1.00 21.11 C ATOM 1150 CD GLU A 74 -14.563 3.814 -8.272 1.00 52.51 C ATOM 1151 OE1 GLU A 74 -15.388 3.605 -9.185 1.00 22.21 O ATOM 1152 OE2 GLU A 74 -14.884 4.234 -7.140 1.00 20.41 O ATOM 0 H GLU A 74 -14.654 5.290 -10.459 1.00 3.12 H new ATOM 0 HA GLU A 74 -12.168 5.845 -9.395 1.00 34.13 H new ATOM 0 HB2 GLU A 74 -13.457 3.427 -10.654 1.00 65.34 H new ATOM 0 HB3 GLU A 74 -11.763 3.354 -10.211 1.00 65.34 H new ATOM 0 HG2 GLU A 74 -12.874 2.500 -8.330 1.00 21.11 H new ATOM 0 HG3 GLU A 74 -12.486 4.148 -7.876 1.00 21.11 H new ATOM 1159 N LEU A 75 -12.136 5.650 -12.645 1.00 34.23 N ATOM 1160 CA LEU A 75 -11.317 5.853 -13.836 1.00 45.43 C ATOM 1161 C LEU A 75 -10.774 7.278 -13.886 1.00 40.00 C ATOM 1162 O LEU A 75 -9.613 7.499 -14.229 1.00 35.12 O ATOM 1163 CB LEU A 75 -12.134 5.562 -15.096 1.00 42.10 C ATOM 1164 CG LEU A 75 -11.376 4.906 -16.250 1.00 30.51 C ATOM 1165 CD1 LEU A 75 -12.040 3.598 -16.649 1.00 33.44 C ATOM 1166 CD2 LEU A 75 -11.296 5.850 -17.441 1.00 41.22 C ATOM 0 H LEU A 75 -13.138 5.587 -12.827 1.00 34.23 H new ATOM 0 HA LEU A 75 -10.474 5.164 -13.790 1.00 45.43 H new ATOM 0 HB2 LEU A 75 -12.969 4.917 -14.823 1.00 42.10 H new ATOM 0 HB3 LEU A 75 -12.560 6.500 -15.454 1.00 42.10 H new ATOM 0 HG LEU A 75 -10.362 4.688 -15.916 1.00 30.51 H new ATOM 0 HD11 LEU A 75 -11.487 3.145 -17.472 1.00 33.44 H new ATOM 0 HD12 LEU A 75 -12.045 2.918 -15.797 1.00 33.44 H new ATOM 0 HD13 LEU A 75 -13.065 3.792 -16.964 1.00 33.44 H new ATOM 0 HD21 LEU A 75 -10.753 5.366 -18.253 1.00 41.22 H new ATOM 0 HD22 LEU A 75 -12.303 6.099 -17.776 1.00 41.22 H new ATOM 0 HD23 LEU A 75 -10.775 6.761 -17.148 1.00 41.22 H new ATOM 1178 N ARG A 76 -11.622 8.242 -13.540 1.00 23.14 N ATOM 1179 CA ARG A 76 -11.227 9.645 -13.546 1.00 21.03 C ATOM 1180 C ARG A 76 -10.066 9.886 -12.586 1.00 55.32 C ATOM 1181 O ARG A 76 -9.080 10.533 -12.939 1.00 13.21 O ATOM 1182 CB ARG A 76 -12.413 10.532 -13.162 1.00 0.42 C ATOM 1183 CG ARG A 76 -12.723 11.611 -14.187 1.00 64.03 C ATOM 1184 CD ARG A 76 -14.036 12.314 -13.875 1.00 35.14 C ATOM 1185 NE ARG A 76 -15.187 11.577 -14.388 1.00 3.41 N ATOM 1186 CZ ARG A 76 -16.444 11.981 -14.239 1.00 71.15 C ATOM 1187 NH1 ARG A 76 -16.709 13.109 -13.594 1.00 35.21 N ATOM 1188 NH2 ARG A 76 -17.438 11.255 -14.733 1.00 2.01 N ATOM 0 H ARG A 76 -12.586 8.076 -13.252 1.00 23.14 H new ATOM 0 HA ARG A 76 -10.902 9.901 -14.554 1.00 21.03 H new ATOM 0 HB2 ARG A 76 -13.295 9.906 -13.027 1.00 0.42 H new ATOM 0 HB3 ARG A 76 -12.207 11.004 -12.201 1.00 0.42 H new ATOM 0 HG2 ARG A 76 -11.913 12.341 -14.205 1.00 64.03 H new ATOM 0 HG3 ARG A 76 -12.774 11.167 -15.181 1.00 64.03 H new ATOM 0 HD2 ARG A 76 -14.135 12.435 -12.796 1.00 35.14 H new ATOM 0 HD3 ARG A 76 -14.024 13.314 -14.308 1.00 35.14 H new ATOM 0 HE ARG A 76 -15.017 10.704 -14.888 1.00 3.41 H new ATOM 0 HH11 ARG A 76 -15.947 13.669 -13.211 1.00 35.21 H new ATOM 0 HH12 ARG A 76 -17.675 13.417 -13.481 1.00 35.21 H new ATOM 0 HH21 ARG A 76 -17.238 10.386 -15.228 1.00 2.01 H new ATOM 0 HH22 ARG A 76 -18.403 11.566 -14.618 1.00 2.01 H new ATOM 1202 N SER A 77 -10.190 9.363 -11.371 1.00 43.21 N ATOM 1203 CA SER A 77 -9.154 9.525 -10.358 1.00 62.13 C ATOM 1204 C SER A 77 -7.796 9.082 -10.895 1.00 70.22 C ATOM 1205 O SER A 77 -6.812 9.817 -10.810 1.00 53.24 O ATOM 1206 CB SER A 77 -9.507 8.723 -9.104 1.00 33.34 C ATOM 1207 OG SER A 77 -10.459 9.409 -8.310 1.00 35.32 O ATOM 0 H SER A 77 -10.999 8.823 -11.064 1.00 43.21 H new ATOM 0 HA SER A 77 -9.095 10.582 -10.099 1.00 62.13 H new ATOM 0 HB2 SER A 77 -9.903 7.749 -9.391 1.00 33.34 H new ATOM 0 HB3 SER A 77 -8.605 8.541 -8.519 1.00 33.34 H new ATOM 0 HG SER A 77 -10.669 8.874 -7.516 1.00 35.32 H new ATOM 1213 N LEU A 78 -7.752 7.875 -11.448 1.00 42.11 N ATOM 1214 CA LEU A 78 -6.516 7.332 -12.000 1.00 71.23 C ATOM 1215 C LEU A 78 -5.926 8.273 -13.045 1.00 70.53 C ATOM 1216 O LEU A 78 -4.765 8.673 -12.950 1.00 4.12 O ATOM 1217 CB LEU A 78 -6.772 5.958 -12.621 1.00 13.03 C ATOM 1218 CG LEU A 78 -6.246 4.756 -11.835 1.00 15.43 C ATOM 1219 CD1 LEU A 78 -4.752 4.896 -11.585 1.00 72.32 C ATOM 1220 CD2 LEU A 78 -6.998 4.608 -10.521 1.00 53.04 C ATOM 0 H LEU A 78 -8.557 7.254 -11.526 1.00 42.11 H new ATOM 0 HA LEU A 78 -5.799 7.228 -11.186 1.00 71.23 H new ATOM 0 HB2 LEU A 78 -7.847 5.837 -12.755 1.00 13.03 H new ATOM 0 HB3 LEU A 78 -6.323 5.941 -13.614 1.00 13.03 H new ATOM 0 HG LEU A 78 -6.412 3.856 -12.428 1.00 15.43 H new ATOM 0 HD11 LEU A 78 -4.394 4.032 -11.025 1.00 72.32 H new ATOM 0 HD12 LEU A 78 -4.227 4.952 -12.539 1.00 72.32 H new ATOM 0 HD13 LEU A 78 -4.562 5.804 -11.012 1.00 72.32 H new ATOM 0 HD21 LEU A 78 -6.611 3.748 -9.975 1.00 53.04 H new ATOM 0 HD22 LEU A 78 -6.864 5.509 -9.922 1.00 53.04 H new ATOM 0 HD23 LEU A 78 -8.059 4.461 -10.723 1.00 53.04 H new ATOM 1232 N TYR A 79 -6.732 8.624 -14.040 1.00 63.15 N ATOM 1233 CA TYR A 79 -6.290 9.519 -15.104 1.00 62.55 C ATOM 1234 C TYR A 79 -5.658 10.782 -14.525 1.00 21.50 C ATOM 1235 O TYR A 79 -4.492 11.078 -14.783 1.00 45.54 O ATOM 1236 CB TYR A 79 -7.468 9.892 -16.006 1.00 33.34 C ATOM 1237 CG TYR A 79 -7.058 10.251 -17.417 1.00 21.14 C ATOM 1238 CD1 TYR A 79 -6.300 9.375 -18.185 1.00 51.33 C ATOM 1239 CD2 TYR A 79 -7.427 11.466 -17.981 1.00 24.50 C ATOM 1240 CE1 TYR A 79 -5.923 9.698 -19.474 1.00 13.43 C ATOM 1241 CE2 TYR A 79 -7.057 11.797 -19.270 1.00 74.51 C ATOM 1242 CZ TYR A 79 -6.304 10.911 -20.013 1.00 72.34 C ATOM 1243 OH TYR A 79 -5.931 11.237 -21.296 1.00 33.00 O ATOM 0 H TYR A 79 -7.696 8.303 -14.133 1.00 63.15 H new ATOM 0 HA TYR A 79 -5.538 8.997 -15.696 1.00 62.55 H new ATOM 0 HB2 TYR A 79 -8.167 9.057 -16.041 1.00 33.34 H new ATOM 0 HB3 TYR A 79 -8.000 10.735 -15.565 1.00 33.34 H new ATOM 0 HD1 TYR A 79 -6.001 8.425 -17.767 1.00 51.33 H new ATOM 0 HD2 TYR A 79 -8.013 12.164 -17.402 1.00 24.50 H new ATOM 0 HE1 TYR A 79 -5.334 9.006 -20.057 1.00 13.43 H new ATOM 0 HE2 TYR A 79 -7.356 12.744 -19.694 1.00 74.51 H new ATOM 0 HH TYR A 79 -6.281 12.124 -21.523 1.00 33.00 H new ATOM 1253 N ASN A 80 -6.438 11.521 -13.742 1.00 35.41 N ATOM 1254 CA ASN A 80 -5.955 12.751 -13.126 1.00 2.23 C ATOM 1255 C ASN A 80 -4.596 12.534 -12.468 1.00 22.21 C ATOM 1256 O ASN A 80 -3.645 13.274 -12.721 1.00 44.04 O ATOM 1257 CB ASN A 80 -6.962 13.257 -12.091 1.00 72.43 C ATOM 1258 CG ASN A 80 -8.089 14.051 -12.720 1.00 4.33 C ATOM 1259 OD1 ASN A 80 -8.247 14.066 -13.941 1.00 2.20 O ATOM 1260 ND2 ASN A 80 -8.880 14.718 -11.887 1.00 54.20 N ATOM 0 H ASN A 80 -7.406 11.289 -13.520 1.00 35.41 H new ATOM 0 HA ASN A 80 -5.842 13.500 -13.910 1.00 2.23 H new ATOM 0 HB2 ASN A 80 -7.378 12.408 -11.548 1.00 72.43 H new ATOM 0 HB3 ASN A 80 -6.446 13.880 -11.361 1.00 72.43 H new ATOM 0 HD21 ASN A 80 -9.655 15.271 -12.253 1.00 54.20 H new ATOM 0 HD22 ASN A 80 -8.712 14.677 -10.882 1.00 54.20 H new ATOM 1267 N THR A 81 -4.512 11.512 -11.622 1.00 60.45 N ATOM 1268 CA THR A 81 -3.271 11.197 -10.925 1.00 35.31 C ATOM 1269 C THR A 81 -2.149 10.890 -11.912 1.00 25.13 C ATOM 1270 O THR A 81 -1.124 11.572 -11.932 1.00 20.03 O ATOM 1271 CB THR A 81 -3.447 9.996 -9.977 1.00 20.44 C ATOM 1272 OG1 THR A 81 -4.538 10.235 -9.081 1.00 11.11 O ATOM 1273 CG2 THR A 81 -2.176 9.742 -9.183 1.00 72.05 C ATOM 0 H THR A 81 -5.289 10.888 -11.403 1.00 60.45 H new ATOM 0 HA THR A 81 -3.006 12.077 -10.339 1.00 35.31 H new ATOM 0 HB THR A 81 -3.660 9.113 -10.580 1.00 20.44 H new ATOM 0 HG1 THR A 81 -5.385 10.139 -9.564 1.00 11.11 H new ATOM 0 HG21 THR A 81 -2.325 8.889 -8.521 1.00 72.05 H new ATOM 0 HG22 THR A 81 -1.355 9.530 -9.868 1.00 72.05 H new ATOM 0 HG23 THR A 81 -1.935 10.624 -8.590 1.00 72.05 H new ATOM 1281 N ILE A 82 -2.352 9.862 -12.729 1.00 14.24 N ATOM 1282 CA ILE A 82 -1.358 9.468 -13.720 1.00 64.51 C ATOM 1283 C ILE A 82 -0.815 10.680 -14.467 1.00 4.25 C ATOM 1284 O ILE A 82 0.396 10.834 -14.626 1.00 70.45 O ATOM 1285 CB ILE A 82 -1.943 8.470 -14.738 1.00 40.20 C ATOM 1286 CG1 ILE A 82 -2.436 7.210 -14.025 1.00 34.30 C ATOM 1287 CG2 ILE A 82 -0.903 8.118 -15.791 1.00 11.20 C ATOM 1288 CD1 ILE A 82 -3.668 6.602 -14.656 1.00 20.23 C ATOM 0 H ILE A 82 -3.195 9.287 -12.724 1.00 14.24 H new ATOM 0 HA ILE A 82 -0.545 8.986 -13.177 1.00 64.51 H new ATOM 0 HB ILE A 82 -2.792 8.937 -15.236 1.00 40.20 H new ATOM 0 HG12 ILE A 82 -1.637 6.469 -14.020 1.00 34.30 H new ATOM 0 HG13 ILE A 82 -2.652 7.452 -12.985 1.00 34.30 H new ATOM 0 HG21 ILE A 82 -1.331 7.412 -16.503 1.00 11.20 H new ATOM 0 HG22 ILE A 82 -0.596 9.023 -16.316 1.00 11.20 H new ATOM 0 HG23 ILE A 82 -0.036 7.667 -15.309 1.00 11.20 H new ATOM 0 HD11 ILE A 82 -3.961 5.712 -14.099 1.00 20.23 H new ATOM 0 HD12 ILE A 82 -4.482 7.327 -14.637 1.00 20.23 H new ATOM 0 HD13 ILE A 82 -3.451 6.328 -15.688 1.00 20.23 H new ATOM 1300 N ALA A 83 -1.719 11.541 -14.923 1.00 4.20 N ATOM 1301 CA ALA A 83 -1.331 12.743 -15.650 1.00 55.13 C ATOM 1302 C ALA A 83 -0.226 13.496 -14.916 1.00 10.30 C ATOM 1303 O ALA A 83 0.819 13.801 -15.491 1.00 1.23 O ATOM 1304 CB ALA A 83 -2.538 13.646 -15.861 1.00 74.32 C ATOM 0 H ALA A 83 -2.725 11.428 -14.802 1.00 4.20 H new ATOM 0 HA ALA A 83 -0.944 12.440 -16.623 1.00 55.13 H new ATOM 0 HB1 ALA A 83 -2.233 14.540 -16.405 1.00 74.32 H new ATOM 0 HB2 ALA A 83 -3.296 13.112 -16.435 1.00 74.32 H new ATOM 0 HB3 ALA A 83 -2.951 13.933 -14.894 1.00 74.32 H new ATOM 1310 N VAL A 84 -0.465 13.794 -13.644 1.00 52.55 N ATOM 1311 CA VAL A 84 0.510 14.512 -12.831 1.00 74.13 C ATOM 1312 C VAL A 84 1.829 13.750 -12.754 1.00 40.44 C ATOM 1313 O VAL A 84 2.903 14.329 -12.921 1.00 22.24 O ATOM 1314 CB VAL A 84 -0.016 14.750 -11.403 1.00 43.35 C ATOM 1315 CG1 VAL A 84 1.001 15.529 -10.581 1.00 4.03 C ATOM 1316 CG2 VAL A 84 -1.351 15.478 -11.442 1.00 62.14 C ATOM 0 H VAL A 84 -1.325 13.550 -13.153 1.00 52.55 H new ATOM 0 HA VAL A 84 0.677 15.475 -13.314 1.00 74.13 H new ATOM 0 HB VAL A 84 -0.169 13.782 -10.925 1.00 43.35 H new ATOM 0 HG11 VAL A 84 0.611 15.687 -9.575 1.00 4.03 H new ATOM 0 HG12 VAL A 84 1.932 14.965 -10.525 1.00 4.03 H new ATOM 0 HG13 VAL A 84 1.189 16.493 -11.053 1.00 4.03 H new ATOM 0 HG21 VAL A 84 -1.708 15.638 -10.425 1.00 62.14 H new ATOM 0 HG22 VAL A 84 -1.226 16.440 -11.938 1.00 62.14 H new ATOM 0 HG23 VAL A 84 -2.077 14.878 -11.991 1.00 62.14 H new ATOM 1326 N LEU A 85 1.740 12.450 -12.500 1.00 31.24 N ATOM 1327 CA LEU A 85 2.927 11.607 -12.402 1.00 22.31 C ATOM 1328 C LEU A 85 3.789 11.733 -13.653 1.00 13.12 C ATOM 1329 O LEU A 85 4.998 11.502 -13.613 1.00 21.52 O ATOM 1330 CB LEU A 85 2.523 10.146 -12.192 1.00 3.54 C ATOM 1331 CG LEU A 85 3.449 9.315 -11.303 1.00 30.24 C ATOM 1332 CD1 LEU A 85 2.713 8.844 -10.059 1.00 42.14 C ATOM 1333 CD2 LEU A 85 4.006 8.128 -12.077 1.00 43.14 C ATOM 0 H LEU A 85 0.859 11.956 -12.358 1.00 31.24 H new ATOM 0 HA LEU A 85 3.511 11.943 -11.545 1.00 22.31 H new ATOM 0 HB2 LEU A 85 1.522 10.125 -11.760 1.00 3.54 H new ATOM 0 HB3 LEU A 85 2.459 9.664 -13.167 1.00 3.54 H new ATOM 0 HG LEU A 85 4.283 9.944 -10.990 1.00 30.24 H new ATOM 0 HD11 LEU A 85 3.388 8.254 -9.438 1.00 42.14 H new ATOM 0 HD12 LEU A 85 2.363 9.708 -9.494 1.00 42.14 H new ATOM 0 HD13 LEU A 85 1.860 8.231 -10.351 1.00 42.14 H new ATOM 0 HD21 LEU A 85 4.663 7.547 -11.429 1.00 43.14 H new ATOM 0 HD22 LEU A 85 3.184 7.499 -12.419 1.00 43.14 H new ATOM 0 HD23 LEU A 85 4.570 8.487 -12.938 1.00 43.14 H new ATOM 1345 N TYR A 86 3.162 12.104 -14.764 1.00 50.21 N ATOM 1346 CA TYR A 86 3.872 12.262 -16.027 1.00 61.21 C ATOM 1347 C TYR A 86 4.576 13.614 -16.092 1.00 64.13 C ATOM 1348 O TYR A 86 5.756 13.695 -16.434 1.00 52.34 O ATOM 1349 CB TYR A 86 2.902 12.123 -17.202 1.00 1.12 C ATOM 1350 CG TYR A 86 3.566 12.255 -18.554 1.00 34.31 C ATOM 1351 CD1 TYR A 86 4.141 11.155 -19.178 1.00 10.23 C ATOM 1352 CD2 TYR A 86 3.617 13.480 -19.208 1.00 65.12 C ATOM 1353 CE1 TYR A 86 4.750 11.271 -20.413 1.00 52.24 C ATOM 1354 CE2 TYR A 86 4.222 13.606 -20.444 1.00 24.01 C ATOM 1355 CZ TYR A 86 4.787 12.498 -21.042 1.00 53.23 C ATOM 1356 OH TYR A 86 5.391 12.618 -22.272 1.00 3.33 O ATOM 0 H TYR A 86 2.163 12.301 -14.815 1.00 50.21 H new ATOM 0 HA TYR A 86 4.626 11.477 -16.091 1.00 61.21 H new ATOM 0 HB2 TYR A 86 2.409 11.153 -17.142 1.00 1.12 H new ATOM 0 HB3 TYR A 86 2.125 12.882 -17.113 1.00 1.12 H new ATOM 0 HD1 TYR A 86 4.112 10.192 -18.689 1.00 10.23 H new ATOM 0 HD2 TYR A 86 3.176 14.349 -18.742 1.00 65.12 H new ATOM 0 HE1 TYR A 86 5.194 10.406 -20.883 1.00 52.24 H new ATOM 0 HE2 TYR A 86 4.252 14.565 -20.939 1.00 24.01 H new ATOM 0 HH TYR A 86 5.330 13.547 -22.577 1.00 3.33 H new ATOM 1366 N CYS A 87 3.844 14.671 -15.760 1.00 23.11 N ATOM 1367 CA CYS A 87 4.397 16.020 -15.780 1.00 53.54 C ATOM 1368 C CYS A 87 5.549 16.150 -14.789 1.00 33.43 C ATOM 1369 O CYS A 87 6.343 17.089 -14.863 1.00 24.33 O ATOM 1370 CB CYS A 87 3.309 17.044 -15.451 1.00 3.12 C ATOM 1371 SG CYS A 87 2.888 17.135 -13.695 1.00 5.55 S ATOM 0 H CYS A 87 2.866 14.620 -15.474 1.00 23.11 H new ATOM 0 HA CYS A 87 4.779 16.215 -16.782 1.00 53.54 H new ATOM 0 HB2 CYS A 87 3.638 18.028 -15.786 1.00 3.12 H new ATOM 0 HB3 CYS A 87 2.410 16.798 -16.017 1.00 3.12 H new ATOM 0 HG CYS A 87 3.058 15.969 -13.147 1.00 5.55 H new ATOM 1377 N VAL A 88 5.636 15.202 -13.862 1.00 23.05 N ATOM 1378 CA VAL A 88 6.692 15.210 -12.856 1.00 64.21 C ATOM 1379 C VAL A 88 8.008 14.708 -13.438 1.00 75.15 C ATOM 1380 O VAL A 88 9.083 15.179 -13.066 1.00 15.32 O ATOM 1381 CB VAL A 88 6.316 14.341 -11.641 1.00 21.20 C ATOM 1382 CG1 VAL A 88 7.442 14.337 -10.619 1.00 73.52 C ATOM 1383 CG2 VAL A 88 5.019 14.832 -11.016 1.00 70.00 C ATOM 0 H VAL A 88 4.988 14.418 -13.786 1.00 23.05 H new ATOM 0 HA VAL A 88 6.812 16.243 -12.531 1.00 64.21 H new ATOM 0 HB VAL A 88 6.163 13.317 -11.982 1.00 21.20 H new ATOM 0 HG11 VAL A 88 7.159 13.718 -9.768 1.00 73.52 H new ATOM 0 HG12 VAL A 88 8.346 13.934 -11.075 1.00 73.52 H new ATOM 0 HG13 VAL A 88 7.630 15.356 -10.280 1.00 73.52 H new ATOM 0 HG21 VAL A 88 4.768 14.207 -10.159 1.00 70.00 H new ATOM 0 HG22 VAL A 88 5.141 15.864 -10.688 1.00 70.00 H new ATOM 0 HG23 VAL A 88 4.217 14.777 -11.752 1.00 70.00 H new ATOM 1393 N HIS A 89 7.918 13.749 -14.354 1.00 51.02 N ATOM 1394 CA HIS A 89 9.103 13.182 -14.989 1.00 3.11 C ATOM 1395 C HIS A 89 9.520 14.016 -16.197 1.00 21.34 C ATOM 1396 O HIS A 89 10.708 14.323 -16.289 1.00 40.13 O ATOM 1397 CB HIS A 89 8.838 11.738 -15.418 1.00 2.51 C ATOM 1398 CG HIS A 89 8.618 10.804 -14.268 1.00 75.21 C ATOM 1399 ND1 HIS A 89 9.398 10.814 -13.131 1.00 65.03 N ATOM 1400 CD2 HIS A 89 7.702 9.825 -14.085 1.00 44.33 C ATOM 1401 CE1 HIS A 89 8.969 9.883 -12.298 1.00 41.24 C ATOM 1402 NE2 HIS A 89 7.939 9.269 -12.853 1.00 35.21 N ATOM 0 H HIS A 89 7.036 13.348 -14.673 1.00 51.02 H new ATOM 0 HA HIS A 89 9.915 13.192 -14.262 1.00 3.11 H new ATOM 0 HB2 HIS A 89 7.963 11.715 -16.067 1.00 2.51 H new ATOM 0 HB3 HIS A 89 9.682 11.382 -16.009 1.00 2.51 H new ATOM 0 HD1 HIS A 89 10.183 11.442 -12.960 1.00 65.03 H new ATOM 0 HD2 HIS A 89 6.928 9.535 -14.780 1.00 44.33 H new ATOM 0 HE1 HIS A 89 9.389 9.661 -11.328 1.00 41.24 H new ATOM 0 HE2 HIS A 89 7.407 8.506 -12.434 1.00 35.21 H new ATOM 1411 N GLN A 90 8.608 14.375 -17.096 1.00 43.15 N ATOM 1412 CA GLN A 90 8.960 15.170 -18.266 1.00 54.02 C ATOM 1413 C GLN A 90 9.275 16.609 -17.872 1.00 4.40 C ATOM 1414 O GLN A 90 9.668 17.421 -18.710 1.00 61.10 O ATOM 1415 CB GLN A 90 7.823 15.145 -19.287 1.00 21.41 C ATOM 1416 CG GLN A 90 8.138 14.329 -20.531 1.00 73.23 C ATOM 1417 CD GLN A 90 7.834 15.077 -21.813 1.00 32.20 C ATOM 1418 OE1 GLN A 90 7.030 16.010 -21.825 1.00 71.34 O ATOM 1419 NE2 GLN A 90 8.475 14.671 -22.902 1.00 31.10 N ATOM 0 H GLN A 90 7.620 14.128 -17.036 1.00 43.15 H new ATOM 0 HA GLN A 90 9.851 14.733 -18.716 1.00 54.02 H new ATOM 0 HB2 GLN A 90 6.929 14.739 -18.813 1.00 21.41 H new ATOM 0 HB3 GLN A 90 7.590 16.168 -19.583 1.00 21.41 H new ATOM 0 HG2 GLN A 90 9.191 14.049 -20.520 1.00 73.23 H new ATOM 0 HG3 GLN A 90 7.562 13.404 -20.509 1.00 73.23 H new ATOM 0 HE21 GLN A 90 9.133 13.894 -22.846 1.00 31.10 H new ATOM 0 HE22 GLN A 90 8.310 15.137 -23.794 1.00 31.10 H new ATOM 1428 N ARG A 91 9.097 16.920 -16.592 1.00 31.12 N ATOM 1429 CA ARG A 91 9.361 18.262 -16.087 1.00 24.42 C ATOM 1430 C ARG A 91 8.372 19.266 -16.673 1.00 25.54 C ATOM 1431 O ARG A 91 8.750 20.374 -17.054 1.00 53.30 O ATOM 1432 CB ARG A 91 10.792 18.685 -16.423 1.00 72.33 C ATOM 1433 CG ARG A 91 11.411 19.612 -15.390 1.00 44.22 C ATOM 1434 CD ARG A 91 12.568 20.406 -15.976 1.00 3.35 C ATOM 1435 NE ARG A 91 12.611 21.771 -15.461 1.00 13.30 N ATOM 1436 CZ ARG A 91 13.603 22.619 -15.709 1.00 10.43 C ATOM 1437 NH1 ARG A 91 14.628 22.244 -16.463 1.00 43.41 N ATOM 1438 NH2 ARG A 91 13.571 23.847 -15.205 1.00 61.32 N ATOM 0 H ARG A 91 8.771 16.260 -15.886 1.00 31.12 H new ATOM 0 HA ARG A 91 9.240 18.246 -15.004 1.00 24.42 H new ATOM 0 HB2 ARG A 91 11.413 17.794 -16.517 1.00 72.33 H new ATOM 0 HB3 ARG A 91 10.797 19.181 -17.393 1.00 72.33 H new ATOM 0 HG2 ARG A 91 10.652 20.297 -15.013 1.00 44.22 H new ATOM 0 HG3 ARG A 91 11.763 19.028 -14.540 1.00 44.22 H new ATOM 0 HD2 ARG A 91 13.507 19.902 -15.746 1.00 3.35 H new ATOM 0 HD3 ARG A 91 12.477 20.431 -17.062 1.00 3.35 H new ATOM 0 HE ARG A 91 11.837 22.091 -14.879 1.00 13.30 H new ATOM 0 HH11 ARG A 91 14.656 21.302 -16.854 1.00 43.41 H new ATOM 0 HH12 ARG A 91 15.388 22.897 -16.652 1.00 43.41 H new ATOM 0 HH21 ARG A 91 12.784 24.140 -14.626 1.00 61.32 H new ATOM 0 HH22 ARG A 91 14.334 24.497 -15.396 1.00 61.32 H new ATOM 1452 N ILE A 92 7.106 18.870 -16.742 1.00 65.42 N ATOM 1453 CA ILE A 92 6.063 19.736 -17.281 1.00 72.33 C ATOM 1454 C ILE A 92 5.379 20.528 -16.172 1.00 23.12 C ATOM 1455 O ILE A 92 4.602 19.978 -15.391 1.00 52.14 O ATOM 1456 CB ILE A 92 5.001 18.927 -18.048 1.00 20.31 C ATOM 1457 CG1 ILE A 92 5.647 18.169 -19.211 1.00 70.22 C ATOM 1458 CG2 ILE A 92 3.899 19.845 -18.555 1.00 11.14 C ATOM 1459 CD1 ILE A 92 4.831 16.988 -19.690 1.00 52.22 C ATOM 0 H ILE A 92 6.777 17.956 -16.432 1.00 65.42 H new ATOM 0 HA ILE A 92 6.550 20.426 -17.970 1.00 72.33 H new ATOM 0 HB ILE A 92 4.557 18.201 -17.367 1.00 20.31 H new ATOM 0 HG12 ILE A 92 5.799 18.857 -20.043 1.00 70.22 H new ATOM 0 HG13 ILE A 92 6.632 17.819 -18.903 1.00 70.22 H new ATOM 0 HG21 ILE A 92 3.156 19.258 -19.095 1.00 11.14 H new ATOM 0 HG22 ILE A 92 3.423 20.344 -17.710 1.00 11.14 H new ATOM 0 HG23 ILE A 92 4.327 20.592 -19.223 1.00 11.14 H new ATOM 0 HD11 ILE A 92 5.349 16.498 -20.515 1.00 52.22 H new ATOM 0 HD12 ILE A 92 4.701 16.280 -18.872 1.00 52.22 H new ATOM 0 HD13 ILE A 92 3.855 17.334 -20.029 1.00 52.22 H new ATOM 1471 N ASP A 93 5.672 21.822 -16.110 1.00 30.23 N ATOM 1472 CA ASP A 93 5.083 22.692 -15.099 1.00 21.21 C ATOM 1473 C ASP A 93 3.559 22.636 -15.155 1.00 53.25 C ATOM 1474 O ASP A 93 2.966 22.671 -16.232 1.00 21.34 O ATOM 1475 CB ASP A 93 5.560 24.132 -15.294 1.00 54.30 C ATOM 1476 CG ASP A 93 5.022 25.069 -14.230 1.00 0.20 C ATOM 1477 OD1 ASP A 93 5.065 24.699 -13.038 1.00 4.21 O ATOM 1478 OD2 ASP A 93 4.558 26.171 -14.590 1.00 42.43 O ATOM 0 H ASP A 93 6.314 22.292 -16.748 1.00 30.23 H new ATOM 0 HA ASP A 93 5.406 22.340 -14.119 1.00 21.21 H new ATOM 0 HB2 ASP A 93 6.650 24.156 -15.278 1.00 54.30 H new ATOM 0 HB3 ASP A 93 5.248 24.485 -16.277 1.00 54.30 H new ATOM 1483 N VAL A 94 2.932 22.549 -13.986 1.00 22.12 N ATOM 1484 CA VAL A 94 1.478 22.488 -13.901 1.00 21.03 C ATOM 1485 C VAL A 94 0.973 23.155 -12.627 1.00 30.34 C ATOM 1486 O VAL A 94 1.444 22.858 -11.529 1.00 23.41 O ATOM 1487 CB VAL A 94 0.974 21.033 -13.941 1.00 62.10 C ATOM 1488 CG1 VAL A 94 1.331 20.380 -15.268 1.00 71.44 C ATOM 1489 CG2 VAL A 94 1.545 20.240 -12.776 1.00 70.31 C ATOM 0 H VAL A 94 3.409 22.519 -13.085 1.00 22.12 H new ATOM 0 HA VAL A 94 1.088 23.024 -14.766 1.00 21.03 H new ATOM 0 HB VAL A 94 -0.112 21.040 -13.848 1.00 62.10 H new ATOM 0 HG11 VAL A 94 0.967 19.353 -15.278 1.00 71.44 H new ATOM 0 HG12 VAL A 94 0.869 20.936 -16.083 1.00 71.44 H new ATOM 0 HG13 VAL A 94 2.414 20.382 -15.395 1.00 71.44 H new ATOM 0 HG21 VAL A 94 1.179 19.214 -12.820 1.00 70.31 H new ATOM 0 HG22 VAL A 94 2.633 20.239 -12.835 1.00 70.31 H new ATOM 0 HG23 VAL A 94 1.233 20.697 -11.837 1.00 70.31 H new ATOM 1499 N LYS A 95 0.011 24.059 -12.780 1.00 33.50 N ATOM 1500 CA LYS A 95 -0.560 24.769 -11.641 1.00 22.34 C ATOM 1501 C LYS A 95 -1.508 23.866 -10.858 1.00 23.23 C ATOM 1502 O LYS A 95 -1.948 24.214 -9.762 1.00 12.43 O ATOM 1503 CB LYS A 95 -1.304 26.019 -12.115 1.00 22.53 C ATOM 1504 CG LYS A 95 -2.354 25.736 -13.176 1.00 0.51 C ATOM 1505 CD LYS A 95 -3.314 26.903 -13.335 1.00 71.22 C ATOM 1506 CE LYS A 95 -4.467 26.554 -14.264 1.00 1.44 C ATOM 1507 NZ LYS A 95 -4.532 27.471 -15.436 1.00 72.42 N ATOM 0 H LYS A 95 -0.390 24.317 -13.682 1.00 33.50 H new ATOM 0 HA LYS A 95 0.256 25.067 -10.983 1.00 22.34 H new ATOM 0 HB2 LYS A 95 -1.784 26.493 -11.259 1.00 22.53 H new ATOM 0 HB3 LYS A 95 -0.582 26.733 -12.511 1.00 22.53 H new ATOM 0 HG2 LYS A 95 -1.865 25.534 -14.129 1.00 0.51 H new ATOM 0 HG3 LYS A 95 -2.912 24.839 -12.907 1.00 0.51 H new ATOM 0 HD2 LYS A 95 -3.706 27.189 -12.359 1.00 71.22 H new ATOM 0 HD3 LYS A 95 -2.777 27.766 -13.728 1.00 71.22 H new ATOM 0 HE2 LYS A 95 -4.355 25.527 -14.612 1.00 1.44 H new ATOM 0 HE3 LYS A 95 -5.406 26.603 -13.712 1.00 1.44 H new ATOM 0 HZ1 LYS A 95 -5.520 27.566 -15.748 1.00 72.42 H new ATOM 0 HZ2 LYS A 95 -4.162 28.405 -15.167 1.00 72.42 H new ATOM 0 HZ3 LYS A 95 -3.959 27.083 -16.213 1.00 72.42 H new ATOM 1521 N ASP A 96 -1.817 22.705 -11.426 1.00 42.22 N ATOM 1522 CA ASP A 96 -2.711 21.752 -10.779 1.00 34.42 C ATOM 1523 C ASP A 96 -2.931 20.528 -11.663 1.00 71.42 C ATOM 1524 O ASP A 96 -2.396 20.443 -12.769 1.00 41.23 O ATOM 1525 CB ASP A 96 -4.052 22.413 -10.460 1.00 71.14 C ATOM 1526 CG ASP A 96 -4.580 23.241 -11.615 1.00 62.11 C ATOM 1527 OD1 ASP A 96 -4.749 22.679 -12.718 1.00 64.13 O ATOM 1528 OD2 ASP A 96 -4.824 24.448 -11.417 1.00 4.30 O ATOM 0 H ASP A 96 -1.462 22.402 -12.333 1.00 42.22 H new ATOM 0 HA ASP A 96 -2.245 21.428 -9.849 1.00 34.42 H new ATOM 0 HB2 ASP A 96 -4.781 21.644 -10.205 1.00 71.14 H new ATOM 0 HB3 ASP A 96 -3.940 23.049 -9.582 1.00 71.14 H new ATOM 1533 N THR A 97 -3.721 19.581 -11.167 1.00 72.22 N ATOM 1534 CA THR A 97 -4.010 18.360 -11.910 1.00 52.45 C ATOM 1535 C THR A 97 -4.841 18.657 -13.152 1.00 42.24 C ATOM 1536 O THR A 97 -5.052 17.783 -13.994 1.00 14.23 O ATOM 1537 CB THR A 97 -4.758 17.336 -11.037 1.00 20.31 C ATOM 1538 OG1 THR A 97 -4.055 17.135 -9.805 1.00 64.21 O ATOM 1539 CG2 THR A 97 -4.905 16.008 -11.766 1.00 51.33 C ATOM 0 H THR A 97 -4.172 19.636 -10.254 1.00 72.22 H new ATOM 0 HA THR A 97 -3.051 17.938 -12.211 1.00 52.45 H new ATOM 0 HB THR A 97 -5.753 17.729 -10.827 1.00 20.31 H new ATOM 0 HG1 THR A 97 -3.814 16.189 -9.717 1.00 64.21 H new ATOM 0 HG21 THR A 97 -5.436 15.300 -11.130 1.00 51.33 H new ATOM 0 HG22 THR A 97 -5.466 16.159 -12.688 1.00 51.33 H new ATOM 0 HG23 THR A 97 -3.918 15.612 -12.003 1.00 51.33 H new ATOM 1547 N LYS A 98 -5.313 19.894 -13.261 1.00 74.20 N ATOM 1548 CA LYS A 98 -6.120 20.308 -14.402 1.00 65.12 C ATOM 1549 C LYS A 98 -5.236 20.693 -15.584 1.00 25.21 C ATOM 1550 O LYS A 98 -5.491 20.289 -16.718 1.00 50.34 O ATOM 1551 CB LYS A 98 -7.018 21.486 -14.018 1.00 41.33 C ATOM 1552 CG LYS A 98 -8.418 21.400 -14.600 1.00 12.34 C ATOM 1553 CD LYS A 98 -9.338 20.569 -13.722 1.00 75.42 C ATOM 1554 CE LYS A 98 -10.659 20.278 -14.416 1.00 44.22 C ATOM 1555 NZ LYS A 98 -10.842 18.824 -14.676 1.00 72.24 N ATOM 0 H LYS A 98 -5.150 20.628 -12.572 1.00 74.20 H new ATOM 0 HA LYS A 98 -6.744 19.465 -14.698 1.00 65.12 H new ATOM 0 HB2 LYS A 98 -7.088 21.539 -12.932 1.00 41.33 H new ATOM 0 HB3 LYS A 98 -6.551 22.412 -14.353 1.00 41.33 H new ATOM 0 HG2 LYS A 98 -8.829 22.403 -14.711 1.00 12.34 H new ATOM 0 HG3 LYS A 98 -8.372 20.962 -15.597 1.00 12.34 H new ATOM 0 HD2 LYS A 98 -8.847 19.631 -13.464 1.00 75.42 H new ATOM 0 HD3 LYS A 98 -9.526 21.098 -12.787 1.00 75.42 H new ATOM 0 HE2 LYS A 98 -11.481 20.643 -13.800 1.00 44.22 H new ATOM 0 HE3 LYS A 98 -10.701 20.823 -15.359 1.00 44.22 H new ATOM 0 HZ1 LYS A 98 -11.754 18.668 -15.150 1.00 72.24 H new ATOM 0 HZ2 LYS A 98 -10.072 18.481 -15.285 1.00 72.24 H new ATOM 0 HZ3 LYS A 98 -10.827 18.306 -13.775 1.00 72.24 H new ATOM 1569 N GLU A 99 -4.196 21.475 -15.309 1.00 23.13 N ATOM 1570 CA GLU A 99 -3.275 21.912 -16.351 1.00 51.32 C ATOM 1571 C GLU A 99 -2.354 20.772 -16.777 1.00 1.50 C ATOM 1572 O GLU A 99 -1.692 20.849 -17.812 1.00 73.02 O ATOM 1573 CB GLU A 99 -2.443 23.099 -15.861 1.00 31.00 C ATOM 1574 CG GLU A 99 -1.877 23.951 -16.983 1.00 10.15 C ATOM 1575 CD GLU A 99 -2.930 24.820 -17.643 1.00 11.41 C ATOM 1576 OE1 GLU A 99 -3.797 24.269 -18.353 1.00 61.34 O ATOM 1577 OE2 GLU A 99 -2.887 26.054 -17.450 1.00 51.23 O ATOM 0 H GLU A 99 -3.971 21.818 -14.375 1.00 23.13 H new ATOM 0 HA GLU A 99 -3.864 22.222 -17.215 1.00 51.32 H new ATOM 0 HB2 GLU A 99 -3.062 23.725 -15.218 1.00 31.00 H new ATOM 0 HB3 GLU A 99 -1.621 22.728 -15.249 1.00 31.00 H new ATOM 0 HG2 GLU A 99 -1.083 24.585 -16.588 1.00 10.15 H new ATOM 0 HG3 GLU A 99 -1.424 23.303 -17.733 1.00 10.15 H new ATOM 1584 N ALA A 100 -2.319 19.716 -15.972 1.00 73.33 N ATOM 1585 CA ALA A 100 -1.480 18.559 -16.266 1.00 45.45 C ATOM 1586 C ALA A 100 -2.150 17.641 -17.282 1.00 4.41 C ATOM 1587 O ALA A 100 -1.478 16.908 -18.009 1.00 43.12 O ATOM 1588 CB ALA A 100 -1.169 17.796 -14.987 1.00 13.43 C ATOM 0 H ALA A 100 -2.861 19.637 -15.112 1.00 73.33 H new ATOM 0 HA ALA A 100 -0.546 18.917 -16.699 1.00 45.45 H new ATOM 0 HB1 ALA A 100 -0.542 16.935 -15.220 1.00 13.43 H new ATOM 0 HB2 ALA A 100 -0.643 18.450 -14.292 1.00 13.43 H new ATOM 0 HB3 ALA A 100 -2.099 17.455 -14.531 1.00 13.43 H new ATOM 1594 N LEU A 101 -3.477 17.685 -17.328 1.00 62.43 N ATOM 1595 CA LEU A 101 -4.238 16.854 -18.256 1.00 52.41 C ATOM 1596 C LEU A 101 -4.341 17.521 -19.624 1.00 52.43 C ATOM 1597 O LEU A 101 -4.432 16.846 -20.649 1.00 13.22 O ATOM 1598 CB LEU A 101 -5.638 16.587 -17.700 1.00 21.34 C ATOM 1599 CG LEU A 101 -5.721 15.592 -16.542 1.00 42.40 C ATOM 1600 CD1 LEU A 101 -6.828 15.988 -15.577 1.00 50.41 C ATOM 1601 CD2 LEU A 101 -5.947 14.181 -17.065 1.00 51.32 C ATOM 0 H LEU A 101 -4.048 18.286 -16.734 1.00 62.43 H new ATOM 0 HA LEU A 101 -3.712 15.906 -18.373 1.00 52.41 H new ATOM 0 HB2 LEU A 101 -6.063 17.535 -17.370 1.00 21.34 H new ATOM 0 HB3 LEU A 101 -6.266 16.222 -18.512 1.00 21.34 H new ATOM 0 HG LEU A 101 -4.773 15.611 -16.004 1.00 42.40 H new ATOM 0 HD11 LEU A 101 -6.872 15.269 -14.759 1.00 50.41 H new ATOM 0 HD12 LEU A 101 -6.623 16.981 -15.176 1.00 50.41 H new ATOM 0 HD13 LEU A 101 -7.783 15.999 -16.103 1.00 50.41 H new ATOM 0 HD21 LEU A 101 -6.003 13.487 -16.227 1.00 51.32 H new ATOM 0 HD22 LEU A 101 -6.880 14.147 -17.628 1.00 51.32 H new ATOM 0 HD23 LEU A 101 -5.120 13.897 -17.716 1.00 51.32 H new ATOM 1613 N ASP A 102 -4.323 18.850 -19.632 1.00 53.25 N ATOM 1614 CA ASP A 102 -4.410 19.608 -20.874 1.00 12.14 C ATOM 1615 C ASP A 102 -3.136 19.450 -21.698 1.00 20.12 C ATOM 1616 O ASP A 102 -3.186 19.333 -22.923 1.00 71.50 O ATOM 1617 CB ASP A 102 -4.660 21.088 -20.577 1.00 74.34 C ATOM 1618 CG ASP A 102 -6.021 21.332 -19.958 1.00 44.21 C ATOM 1619 OD1 ASP A 102 -6.980 20.625 -20.335 1.00 0.01 O ATOM 1620 OD2 ASP A 102 -6.130 22.231 -19.097 1.00 1.32 O ATOM 0 H ASP A 102 -4.249 19.424 -18.792 1.00 53.25 H new ATOM 0 HA ASP A 102 -5.246 19.215 -21.452 1.00 12.14 H new ATOM 0 HB2 ASP A 102 -3.886 21.456 -19.903 1.00 74.34 H new ATOM 0 HB3 ASP A 102 -4.576 21.660 -21.501 1.00 74.34 H new ATOM 1625 N LYS A 103 -1.995 19.450 -21.018 1.00 31.33 N ATOM 1626 CA LYS A 103 -0.706 19.305 -21.686 1.00 11.14 C ATOM 1627 C LYS A 103 -0.570 17.923 -22.314 1.00 23.45 C ATOM 1628 O LYS A 103 0.229 17.721 -23.229 1.00 53.41 O ATOM 1629 CB LYS A 103 0.435 19.541 -20.694 1.00 43.24 C ATOM 1630 CG LYS A 103 0.860 20.995 -20.591 1.00 51.00 C ATOM 1631 CD LYS A 103 1.671 21.426 -21.801 1.00 11.32 C ATOM 1632 CE LYS A 103 0.901 22.414 -22.665 1.00 62.43 C ATOM 1633 NZ LYS A 103 1.610 22.706 -23.942 1.00 72.44 N ATOM 0 H LYS A 103 -1.936 19.549 -20.005 1.00 31.33 H new ATOM 0 HA LYS A 103 -0.650 20.051 -22.479 1.00 11.14 H new ATOM 0 HB2 LYS A 103 0.127 19.191 -19.709 1.00 43.24 H new ATOM 0 HB3 LYS A 103 1.294 18.940 -20.992 1.00 43.24 H new ATOM 0 HG2 LYS A 103 -0.023 21.627 -20.500 1.00 51.00 H new ATOM 0 HG3 LYS A 103 1.450 21.139 -19.686 1.00 51.00 H new ATOM 0 HD2 LYS A 103 2.605 21.881 -21.471 1.00 11.32 H new ATOM 0 HD3 LYS A 103 1.935 20.550 -22.394 1.00 11.32 H new ATOM 0 HE2 LYS A 103 -0.088 22.011 -22.883 1.00 62.43 H new ATOM 0 HE3 LYS A 103 0.753 23.341 -22.112 1.00 62.43 H new ATOM 0 HZ1 LYS A 103 1.053 23.383 -24.502 1.00 72.44 H new ATOM 0 HZ2 LYS A 103 2.544 23.114 -23.735 1.00 72.44 H new ATOM 0 HZ3 LYS A 103 1.729 21.825 -24.482 1.00 72.44 H new ATOM 1647 N ILE A 104 -1.356 16.973 -21.819 1.00 64.12 N ATOM 1648 CA ILE A 104 -1.326 15.609 -22.334 1.00 15.30 C ATOM 1649 C ILE A 104 -2.451 15.375 -23.336 1.00 33.25 C ATOM 1650 O ILE A 104 -2.375 14.471 -24.168 1.00 30.52 O ATOM 1651 CB ILE A 104 -1.440 14.576 -21.199 1.00 64.15 C ATOM 1652 CG1 ILE A 104 -0.326 14.788 -20.171 1.00 13.33 C ATOM 1653 CG2 ILE A 104 -1.388 13.163 -21.761 1.00 14.43 C ATOM 1654 CD1 ILE A 104 -0.471 13.928 -18.936 1.00 61.21 C ATOM 0 H ILE A 104 -2.022 17.123 -21.061 1.00 64.12 H new ATOM 0 HA ILE A 104 -0.366 15.481 -22.834 1.00 15.30 H new ATOM 0 HB ILE A 104 -2.399 14.712 -20.700 1.00 64.15 H new ATOM 0 HG12 ILE A 104 0.635 14.577 -20.640 1.00 13.33 H new ATOM 0 HG13 ILE A 104 -0.312 15.837 -19.874 1.00 13.33 H new ATOM 0 HG21 ILE A 104 -1.470 12.444 -20.946 1.00 14.43 H new ATOM 0 HG22 ILE A 104 -2.214 13.018 -22.457 1.00 14.43 H new ATOM 0 HG23 ILE A 104 -0.443 13.014 -22.283 1.00 14.43 H new ATOM 0 HD11 ILE A 104 0.353 14.131 -18.252 1.00 61.21 H new ATOM 0 HD12 ILE A 104 -1.416 14.156 -18.443 1.00 61.21 H new ATOM 0 HD13 ILE A 104 -0.455 12.876 -19.221 1.00 61.21 H new