USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 822 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 29 TYR OH : rot -174:sc= 0.425 USER MOD Set 1.2: A 80 ASN : amide:sc= -1.81! C(o=-0.39!,f=-5.1!) USER MOD Set 1.3: A 97 THR OG1 : rot -173:sc= 0.994 USER MOD Set 2.1: A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.236 USER MOD Single : A 15 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0515) 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+ -143:sc= -0.439 (180deg=-1.64!) USER MOD Single : A 28 GLN : amide:sc= -0.0221 X(o=-0.022,f=-0.022) 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= -1.36! C(o=-1.4!,f=-6.2!) USER MOD Single : A 38 SER OG : rot 87:sc= 1.25 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 53 THR OG1 : rot -29:sc= 1.66 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0506 USER MOD Single : A 57 CYS SG : rot 180:sc=-0.00818 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=-0.11) USER MOD Single : A 65 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.031) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 86:sc= 0.00237 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.146 USER MOD Single : A 81 THR OG1 : rot 71:sc= 0.0322 USER MOD Single : A 86 TYR OH : rot 180:sc= 0.237 USER MOD Single : A 87 CYS SG : rot -140:sc= -0.981 USER MOD Single : A 89 HIS : +bothHN:sc= -0.246 K(o=-0.25,f=-3.9!) USER MOD Single : A 90 GLN : amide:sc= -0.0982 K(o=-0.098,f=-1.3!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -9.469 5.950 -8.312 1.00 54.33 N ATOM 64 CA VAL A 7 -9.791 6.947 -9.325 1.00 13.43 C ATOM 65 C VAL A 7 -11.035 7.739 -8.942 1.00 61.24 C ATOM 66 O VAL A 7 -10.979 8.955 -8.757 1.00 41.11 O ATOM 67 CB VAL A 7 -10.015 6.294 -10.703 1.00 41.24 C ATOM 68 CG1 VAL A 7 -10.341 7.350 -11.747 1.00 45.42 C ATOM 69 CG2 VAL A 7 -8.794 5.487 -11.113 1.00 35.50 C ATOM 0 HA VAL A 7 -8.939 7.624 -9.385 1.00 13.43 H new ATOM 0 HB VAL A 7 -10.864 5.615 -10.631 1.00 41.24 H new ATOM 0 HG11 VAL A 7 -10.496 6.870 -12.714 1.00 45.42 H new ATOM 0 HG12 VAL A 7 -11.247 7.882 -11.456 1.00 45.42 H new ATOM 0 HG13 VAL A 7 -9.514 8.056 -11.821 1.00 45.42 H new ATOM 0 HG21 VAL A 7 -8.969 5.033 -12.088 1.00 35.50 H new ATOM 0 HG22 VAL A 7 -7.926 6.144 -11.169 1.00 35.50 H new ATOM 0 HG23 VAL A 7 -8.610 4.705 -10.376 1.00 35.50 H new ATOM 79 N LEU A 8 -12.160 7.042 -8.822 1.00 22.12 N ATOM 80 CA LEU A 8 -13.421 7.679 -8.459 1.00 2.45 C ATOM 81 C LEU A 8 -13.969 7.102 -7.158 1.00 14.34 C ATOM 82 O LEU A 8 -14.124 5.888 -7.023 1.00 50.02 O ATOM 83 CB LEU A 8 -14.446 7.502 -9.580 1.00 5.21 C ATOM 84 CG LEU A 8 -14.120 8.196 -10.904 1.00 42.43 C ATOM 85 CD1 LEU A 8 -15.159 7.848 -11.959 1.00 14.12 C ATOM 86 CD2 LEU A 8 -14.040 9.704 -10.709 1.00 70.21 C ATOM 0 H LEU A 8 -12.224 6.035 -8.971 1.00 22.12 H new ATOM 0 HA LEU A 8 -13.232 8.742 -8.312 1.00 2.45 H new ATOM 0 HB2 LEU A 8 -14.565 6.436 -9.771 1.00 5.21 H new ATOM 0 HB3 LEU A 8 -15.409 7.871 -9.227 1.00 5.21 H new ATOM 0 HG LEU A 8 -13.149 7.841 -11.249 1.00 42.43 H new ATOM 0 HD11 LEU A 8 -14.911 8.351 -12.894 1.00 14.12 H new ATOM 0 HD12 LEU A 8 -15.169 6.770 -12.118 1.00 14.12 H new ATOM 0 HD13 LEU A 8 -16.143 8.174 -11.622 1.00 14.12 H new ATOM 0 HD21 LEU A 8 -13.807 10.182 -11.661 1.00 70.21 H new ATOM 0 HD22 LEU A 8 -14.997 10.075 -10.341 1.00 70.21 H new ATOM 0 HD23 LEU A 8 -13.259 9.936 -9.986 1.00 70.21 H new ATOM 98 N SER A 9 -14.262 7.980 -6.205 1.00 73.23 N ATOM 99 CA SER A 9 -14.791 7.557 -4.913 1.00 42.12 C ATOM 100 C SER A 9 -16.260 7.159 -5.032 1.00 42.30 C ATOM 101 O SER A 9 -16.806 7.078 -6.131 1.00 4.24 O ATOM 102 CB SER A 9 -14.637 8.678 -3.883 1.00 42.35 C ATOM 103 OG SER A 9 -15.553 9.729 -4.132 1.00 43.44 O ATOM 0 H SER A 9 -14.142 8.988 -6.302 1.00 73.23 H new ATOM 0 HA SER A 9 -14.222 6.688 -4.582 1.00 42.12 H new ATOM 0 HB2 SER A 9 -14.799 8.280 -2.881 1.00 42.35 H new ATOM 0 HB3 SER A 9 -13.618 9.065 -3.912 1.00 42.35 H new ATOM 0 HG SER A 9 -15.435 10.432 -3.459 1.00 43.44 H new ATOM 109 N GLY A 10 -16.893 6.912 -3.889 1.00 22.51 N ATOM 110 CA GLY A 10 -18.292 6.525 -3.886 1.00 60.45 C ATOM 111 C GLY A 10 -19.169 7.514 -4.628 1.00 75.32 C ATOM 112 O GLY A 10 -19.962 7.130 -5.487 1.00 75.34 O ATOM 0 H GLY A 10 -16.463 6.973 -2.966 1.00 22.51 H new ATOM 0 HA2 GLY A 10 -18.394 5.540 -4.342 1.00 60.45 H new ATOM 0 HA3 GLY A 10 -18.639 6.437 -2.857 1.00 60.45 H new ATOM 116 N GLY A 11 -19.029 8.793 -4.294 1.00 1.40 N ATOM 117 CA GLY A 11 -19.823 9.820 -4.943 1.00 1.22 C ATOM 118 C GLY A 11 -19.485 9.972 -6.413 1.00 14.12 C ATOM 119 O GLY A 11 -20.377 10.033 -7.257 1.00 1.11 O ATOM 0 H GLY A 11 -18.380 9.136 -3.586 1.00 1.40 H new ATOM 0 HA2 GLY A 11 -20.880 9.577 -4.840 1.00 1.22 H new ATOM 0 HA3 GLY A 11 -19.664 10.772 -4.437 1.00 1.22 H new ATOM 123 N GLU A 12 -18.192 10.034 -6.718 1.00 42.35 N ATOM 124 CA GLU A 12 -17.740 10.183 -8.096 1.00 53.21 C ATOM 125 C GLU A 12 -18.190 8.998 -8.947 1.00 12.33 C ATOM 126 O GLU A 12 -18.441 9.140 -10.145 1.00 14.13 O ATOM 127 CB GLU A 12 -16.216 10.310 -8.145 1.00 72.31 C ATOM 128 CG GLU A 12 -15.658 11.333 -7.169 1.00 71.52 C ATOM 129 CD GLU A 12 -14.166 11.542 -7.332 1.00 20.04 C ATOM 130 OE1 GLU A 12 -13.391 10.761 -6.742 1.00 14.44 O ATOM 131 OE2 GLU A 12 -13.773 12.486 -8.050 1.00 62.32 O1- ATOM 0 H GLU A 12 -17.441 9.983 -6.030 1.00 42.35 H new ATOM 0 HA GLU A 12 -18.186 11.091 -8.502 1.00 53.21 H new ATOM 0 HB2 GLU A 12 -15.772 9.338 -7.932 1.00 72.31 H new ATOM 0 HB3 GLU A 12 -15.915 10.583 -9.156 1.00 72.31 H new ATOM 0 HG2 GLU A 12 -16.172 12.284 -7.312 1.00 71.52 H new ATOM 0 HG3 GLU A 12 -15.866 11.008 -6.150 1.00 71.52 H new ATOM 138 N LEU A 13 -18.290 7.832 -8.320 1.00 74.30 N ATOM 139 CA LEU A 13 -18.709 6.621 -9.018 1.00 30.20 C ATOM 140 C LEU A 13 -20.145 6.749 -9.516 1.00 40.13 C ATOM 141 O LEU A 13 -20.421 6.565 -10.701 1.00 23.42 O ATOM 142 CB LEU A 13 -18.583 5.407 -8.097 1.00 33.32 C ATOM 143 CG LEU A 13 -18.613 4.040 -8.780 1.00 31.41 C ATOM 144 CD1 LEU A 13 -17.488 3.926 -9.797 1.00 30.03 C ATOM 145 CD2 LEU A 13 -18.516 2.925 -7.749 1.00 43.15 C ATOM 0 H LEU A 13 -18.087 7.699 -7.329 1.00 74.30 H new ATOM 0 HA LEU A 13 -18.056 6.484 -9.880 1.00 30.20 H new ATOM 0 HB2 LEU A 13 -17.649 5.493 -7.542 1.00 33.32 H new ATOM 0 HB3 LEU A 13 -19.392 5.444 -7.368 1.00 33.32 H new ATOM 0 HG LEU A 13 -19.563 3.940 -9.306 1.00 31.41 H new ATOM 0 HD11 LEU A 13 -17.526 2.946 -10.273 1.00 30.03 H new ATOM 0 HD12 LEU A 13 -17.602 4.702 -10.554 1.00 30.03 H new ATOM 0 HD13 LEU A 13 -16.529 4.048 -9.294 1.00 30.03 H new ATOM 0 HD21 LEU A 13 -18.539 1.959 -8.254 1.00 43.15 H new ATOM 0 HD22 LEU A 13 -17.583 3.022 -7.194 1.00 43.15 H new ATOM 0 HD23 LEU A 13 -19.357 2.993 -7.059 1.00 43.15 H new ATOM 157 N ASP A 14 -21.056 7.068 -8.602 1.00 14.54 N ATOM 158 CA ASP A 14 -22.463 7.225 -8.947 1.00 62.20 C ATOM 159 C ASP A 14 -22.632 8.185 -10.121 1.00 74.44 C ATOM 160 O ASP A 14 -23.323 7.879 -11.094 1.00 55.45 O ATOM 161 CB ASP A 14 -23.254 7.731 -7.740 1.00 42.32 C ATOM 162 CG ASP A 14 -24.282 6.727 -7.259 1.00 43.15 C ATOM 163 OD1 ASP A 14 -23.924 5.544 -7.092 1.00 15.31 O1- ATOM 164 OD2 ASP A 14 -25.447 7.126 -7.049 1.00 44.03 O ATOM 0 H ASP A 14 -20.844 7.223 -7.616 1.00 14.54 H new ATOM 0 HA ASP A 14 -22.850 6.249 -9.241 1.00 62.20 H new ATOM 0 HB2 ASP A 14 -22.565 7.958 -6.927 1.00 42.32 H new ATOM 0 HB3 ASP A 14 -23.755 8.662 -8.003 1.00 42.32 H new ATOM 169 N LYS A 15 -21.996 9.347 -10.023 1.00 52.20 N ATOM 170 CA LYS A 15 -22.074 10.354 -11.075 1.00 32.05 C ATOM 171 C LYS A 15 -21.406 9.857 -12.354 1.00 52.43 C ATOM 172 O LYS A 15 -21.913 10.073 -13.455 1.00 41.55 O ATOM 173 CB LYS A 15 -21.414 11.655 -10.615 1.00 1.35 C ATOM 174 CG LYS A 15 -22.272 12.467 -9.659 1.00 12.25 C ATOM 175 CD LYS A 15 -21.422 13.348 -8.759 1.00 0.20 C ATOM 176 CE LYS A 15 -21.836 13.219 -7.302 1.00 42.52 C ATOM 177 NZ LYS A 15 -23.254 13.623 -7.090 1.00 32.15 N1+ ATOM 0 H LYS A 15 -21.420 9.615 -9.225 1.00 52.20 H new ATOM 0 HA LYS A 15 -23.127 10.543 -11.285 1.00 32.05 H new ATOM 0 HB2 LYS A 15 -20.467 11.420 -10.130 1.00 1.35 H new ATOM 0 HB3 LYS A 15 -21.182 12.264 -11.489 1.00 1.35 H new ATOM 0 HG2 LYS A 15 -22.965 13.087 -10.228 1.00 12.25 H new ATOM 0 HG3 LYS A 15 -22.874 11.794 -9.048 1.00 12.25 H new ATOM 0 HD2 LYS A 15 -20.372 13.074 -8.866 1.00 0.20 H new ATOM 0 HD3 LYS A 15 -21.514 14.388 -9.074 1.00 0.20 H new ATOM 0 HE2 LYS A 15 -21.700 12.188 -6.976 1.00 42.52 H new ATOM 0 HE3 LYS A 15 -21.186 13.838 -6.684 1.00 42.52 H new ATOM 0 HZ1 LYS A 15 -23.435 13.733 -6.072 1.00 32.15 H new ATOM 0 HZ2 LYS A 15 -23.434 14.526 -7.574 1.00 32.15 H new ATOM 0 HZ3 LYS A 15 -23.885 12.892 -7.476 1.00 32.15 H new ATOM 191 N TRP A 16 -20.267 9.190 -12.200 1.00 44.23 N ATOM 192 CA TRP A 16 -19.532 8.662 -13.343 1.00 55.35 C ATOM 193 C TRP A 16 -20.418 7.754 -14.188 1.00 22.23 C ATOM 194 O TRP A 16 -20.569 7.966 -15.391 1.00 73.12 O ATOM 195 CB TRP A 16 -18.298 7.893 -12.869 1.00 75.12 C ATOM 196 CG TRP A 16 -17.556 7.215 -13.981 1.00 71.30 C ATOM 197 CD1 TRP A 16 -17.620 5.894 -14.323 1.00 22.20 C ATOM 198 CD2 TRP A 16 -16.639 7.824 -14.896 1.00 10.45 C ATOM 199 NE1 TRP A 16 -16.797 5.646 -15.395 1.00 64.41 N ATOM 200 CE2 TRP A 16 -16.185 6.814 -15.766 1.00 34.24 C ATOM 201 CE3 TRP A 16 -16.158 9.126 -15.066 1.00 70.11 C ATOM 202 CZ2 TRP A 16 -15.273 7.067 -16.788 1.00 71.21 C ATOM 203 CZ3 TRP A 16 -15.254 9.374 -16.080 1.00 12.12 C ATOM 204 CH2 TRP A 16 -14.819 8.349 -16.932 1.00 64.34 C ATOM 0 H TRP A 16 -19.833 9.003 -11.296 1.00 44.23 H new ATOM 0 HA TRP A 16 -19.214 9.503 -13.959 1.00 55.35 H new ATOM 0 HB2 TRP A 16 -17.624 8.581 -12.359 1.00 75.12 H new ATOM 0 HB3 TRP A 16 -18.604 7.145 -12.137 1.00 75.12 H new ATOM 0 HD1 TRP A 16 -18.228 5.154 -13.824 1.00 22.20 H new ATOM 0 HE1 TRP A 16 -16.663 4.739 -15.842 1.00 64.41 H new ATOM 0 HE3 TRP A 16 -16.488 9.923 -14.416 1.00 70.11 H new ATOM 0 HZ2 TRP A 16 -14.936 6.278 -17.444 1.00 71.21 H new ATOM 0 HZ3 TRP A 16 -14.875 10.376 -16.219 1.00 12.12 H new ATOM 0 HH2 TRP A 16 -14.112 8.576 -17.717 1.00 64.34 H new ATOM 215 N GLU A 17 -21.001 6.743 -13.552 1.00 50.41 N ATOM 216 CA GLU A 17 -21.872 5.803 -14.248 1.00 44.41 C ATOM 217 C GLU A 17 -23.045 6.529 -14.902 1.00 53.43 C ATOM 218 O GLU A 17 -23.612 6.057 -15.887 1.00 15.23 O ATOM 219 CB GLU A 17 -22.392 4.741 -13.278 1.00 20.13 C ATOM 220 CG GLU A 17 -21.368 3.669 -12.943 1.00 71.13 C ATOM 221 CD GLU A 17 -21.987 2.465 -12.260 1.00 35.42 C ATOM 222 OE1 GLU A 17 -22.215 2.532 -11.034 1.00 65.22 O ATOM 223 OE2 GLU A 17 -22.242 1.456 -12.951 1.00 53.53 O1- ATOM 0 H GLU A 17 -20.886 6.554 -12.556 1.00 50.41 H new ATOM 0 HA GLU A 17 -21.288 5.316 -15.029 1.00 44.41 H new ATOM 0 HB2 GLU A 17 -22.711 5.228 -12.356 1.00 20.13 H new ATOM 0 HB3 GLU A 17 -23.274 4.267 -13.710 1.00 20.13 H new ATOM 0 HG2 GLU A 17 -20.871 3.347 -13.858 1.00 71.13 H new ATOM 0 HG3 GLU A 17 -20.600 4.094 -12.296 1.00 71.13 H new ATOM 230 N LYS A 18 -23.404 7.681 -14.344 1.00 12.35 N ATOM 231 CA LYS A 18 -24.509 8.474 -14.870 1.00 14.32 C ATOM 232 C LYS A 18 -24.091 9.214 -16.137 1.00 11.04 C ATOM 233 O LYS A 18 -24.780 9.154 -17.156 1.00 2.45 O ATOM 234 CB LYS A 18 -24.990 9.476 -13.818 1.00 73.41 C ATOM 235 CG LYS A 18 -26.473 9.791 -13.913 1.00 24.03 C ATOM 236 CD LYS A 18 -27.291 8.909 -12.985 1.00 51.24 C ATOM 237 CE LYS A 18 -28.285 9.726 -12.173 1.00 71.22 C ATOM 238 NZ LYS A 18 -28.815 8.960 -11.011 1.00 71.23 N1+ ATOM 0 H LYS A 18 -22.946 8.086 -13.528 1.00 12.35 H new ATOM 0 HA LYS A 18 -25.326 7.796 -15.118 1.00 14.32 H new ATOM 0 HB2 LYS A 18 -24.774 9.080 -12.826 1.00 73.41 H new ATOM 0 HB3 LYS A 18 -24.423 10.401 -13.923 1.00 73.41 H new ATOM 0 HG2 LYS A 18 -26.640 10.838 -13.662 1.00 24.03 H new ATOM 0 HG3 LYS A 18 -26.810 9.652 -14.940 1.00 24.03 H new ATOM 0 HD2 LYS A 18 -27.825 8.160 -13.570 1.00 51.24 H new ATOM 0 HD3 LYS A 18 -26.624 8.371 -12.311 1.00 51.24 H new ATOM 0 HE2 LYS A 18 -27.802 10.637 -11.818 1.00 71.22 H new ATOM 0 HE3 LYS A 18 -29.112 10.033 -12.813 1.00 71.22 H new ATOM 0 HZ1 LYS A 18 -29.489 9.551 -10.484 1.00 71.23 H new ATOM 0 HZ2 LYS A 18 -29.298 8.104 -11.351 1.00 71.23 H new ATOM 0 HZ3 LYS A 18 -28.029 8.689 -10.386 1.00 71.23 H new ATOM 252 N ILE A 19 -22.960 9.908 -16.067 1.00 3.02 N ATOM 253 CA ILE A 19 -22.452 10.657 -17.210 1.00 14.20 C ATOM 254 C ILE A 19 -22.377 9.777 -18.453 1.00 42.12 C ATOM 255 O ILE A 19 -22.021 8.601 -18.375 1.00 0.41 O ATOM 256 CB ILE A 19 -21.056 11.240 -16.923 1.00 10.11 C ATOM 257 CG1 ILE A 19 -21.104 12.160 -15.702 1.00 55.52 C ATOM 258 CG2 ILE A 19 -20.537 11.993 -18.140 1.00 44.54 C ATOM 259 CD1 ILE A 19 -19.953 11.952 -14.743 1.00 71.31 C ATOM 0 H ILE A 19 -22.378 9.967 -15.231 1.00 3.02 H new ATOM 0 HA ILE A 19 -23.150 11.475 -17.388 1.00 14.20 H new ATOM 0 HB ILE A 19 -20.372 10.419 -16.708 1.00 10.11 H new ATOM 0 HG12 ILE A 19 -21.103 13.197 -16.038 1.00 55.52 H new ATOM 0 HG13 ILE A 19 -22.042 11.998 -15.171 1.00 55.52 H new ATOM 0 HG21 ILE A 19 -19.549 12.400 -17.922 1.00 44.54 H new ATOM 0 HG22 ILE A 19 -20.470 11.312 -18.988 1.00 44.54 H new ATOM 0 HG23 ILE A 19 -21.219 12.808 -18.382 1.00 44.54 H new ATOM 0 HD11 ILE A 19 -20.052 12.638 -13.902 1.00 71.31 H new ATOM 0 HD12 ILE A 19 -19.965 10.925 -14.378 1.00 71.31 H new ATOM 0 HD13 ILE A 19 -19.011 12.143 -15.258 1.00 71.31 H new ATOM 271 N ARG A 20 -22.715 10.356 -19.601 1.00 32.13 N ATOM 272 CA ARG A 20 -22.686 9.625 -20.862 1.00 4.10 C ATOM 273 C ARG A 20 -21.481 10.037 -21.702 1.00 11.21 C ATOM 274 O ARG A 20 -20.926 11.123 -21.520 1.00 31.34 O ATOM 275 CB ARG A 20 -23.976 9.871 -21.647 1.00 22.45 C ATOM 276 CG ARG A 20 -25.200 9.221 -21.025 1.00 64.33 C ATOM 277 CD ARG A 20 -26.423 10.121 -21.129 1.00 31.03 C ATOM 278 NE ARG A 20 -26.838 10.633 -19.827 1.00 74.54 N ATOM 279 CZ ARG A 20 -27.959 11.318 -19.630 1.00 4.35 C ATOM 280 NH1 ARG A 20 -28.772 11.573 -20.646 1.00 11.04 N1+ ATOM 281 NH2 ARG A 20 -28.269 11.751 -18.414 1.00 34.55 N ATOM 0 H ARG A 20 -23.012 11.328 -19.683 1.00 32.13 H new ATOM 0 HA ARG A 20 -22.603 8.562 -20.635 1.00 4.10 H new ATOM 0 HB2 ARG A 20 -24.145 10.945 -21.724 1.00 22.45 H new ATOM 0 HB3 ARG A 20 -23.851 9.494 -22.662 1.00 22.45 H new ATOM 0 HG2 ARG A 20 -25.402 8.272 -21.522 1.00 64.33 H new ATOM 0 HG3 ARG A 20 -25.001 8.996 -19.977 1.00 64.33 H new ATOM 0 HD2 ARG A 20 -26.203 10.956 -21.794 1.00 31.03 H new ATOM 0 HD3 ARG A 20 -27.245 9.564 -21.578 1.00 31.03 H new ATOM 0 HE ARG A 20 -26.234 10.455 -19.024 1.00 74.54 H new ATOM 0 HH11 ARG A 20 -28.537 11.243 -21.582 1.00 11.04 H new ATOM 0 HH12 ARG A 20 -29.632 12.099 -20.491 1.00 11.04 H new ATOM 0 HH21 ARG A 20 -27.646 11.558 -17.630 1.00 34.55 H new ATOM 0 HH22 ARG A 20 -29.130 12.277 -18.264 1.00 34.55 H new ATOM 295 N LEU A 21 -21.080 9.165 -22.620 1.00 2.30 N ATOM 296 CA LEU A 21 -19.940 9.438 -23.488 1.00 53.51 C ATOM 297 C LEU A 21 -20.297 10.475 -24.548 1.00 24.21 C ATOM 298 O LEU A 21 -19.444 11.244 -24.991 1.00 40.52 O ATOM 299 CB LEU A 21 -19.465 8.148 -24.160 1.00 10.41 C ATOM 300 CG LEU A 21 -19.236 6.953 -23.234 1.00 51.52 C ATOM 301 CD1 LEU A 21 -19.750 5.674 -23.875 1.00 71.21 C ATOM 302 CD2 LEU A 21 -17.760 6.823 -22.887 1.00 30.00 C ATOM 0 H LEU A 21 -21.527 8.263 -22.783 1.00 2.30 H new ATOM 0 HA LEU A 21 -19.134 9.838 -22.872 1.00 53.51 H new ATOM 0 HB2 LEU A 21 -20.199 7.863 -24.913 1.00 10.41 H new ATOM 0 HB3 LEU A 21 -18.534 8.358 -24.686 1.00 10.41 H new ATOM 0 HG LEU A 21 -19.792 7.121 -22.312 1.00 51.52 H new ATOM 0 HD11 LEU A 21 -19.578 4.835 -23.201 1.00 71.21 H new ATOM 0 HD12 LEU A 21 -20.818 5.769 -24.071 1.00 71.21 H new ATOM 0 HD13 LEU A 21 -19.223 5.500 -24.813 1.00 71.21 H new ATOM 0 HD21 LEU A 21 -17.615 5.967 -22.227 1.00 30.00 H new ATOM 0 HD22 LEU A 21 -17.183 6.679 -23.800 1.00 30.00 H new ATOM 0 HD23 LEU A 21 -17.423 7.730 -22.384 1.00 30.00 H new ATOM 314 N ARG A 22 -21.564 10.491 -24.949 1.00 31.23 N ATOM 315 CA ARG A 22 -22.035 11.433 -25.956 1.00 3.34 C ATOM 316 C ARG A 22 -23.392 12.013 -25.567 1.00 31.11 C ATOM 317 O ARG A 22 -24.125 11.448 -24.754 1.00 10.35 O ATOM 318 CB ARG A 22 -22.133 10.749 -27.321 1.00 71.14 C ATOM 319 CG ARG A 22 -20.987 11.091 -28.258 1.00 53.11 C ATOM 320 CD ARG A 22 -21.404 10.971 -29.716 1.00 51.22 C ATOM 321 NE ARG A 22 -20.253 10.847 -30.605 1.00 31.32 N ATOM 322 CZ ARG A 22 -20.350 10.543 -31.895 1.00 21.22 C ATOM 323 NH1 ARG A 22 -21.540 10.332 -32.442 1.00 23.12 N1+ ATOM 324 NH2 ARG A 22 -19.256 10.449 -32.641 1.00 73.44 N ATOM 0 H ARG A 22 -22.283 9.862 -24.591 1.00 31.23 H new ATOM 0 HA ARG A 22 -21.315 12.249 -26.017 1.00 3.34 H new ATOM 0 HB2 ARG A 22 -22.162 9.669 -27.175 1.00 71.14 H new ATOM 0 HB3 ARG A 22 -23.074 11.032 -27.793 1.00 71.14 H new ATOM 0 HG2 ARG A 22 -20.644 12.106 -28.059 1.00 53.11 H new ATOM 0 HG3 ARG A 22 -20.146 10.426 -28.063 1.00 53.11 H new ATOM 0 HD2 ARG A 22 -22.051 10.103 -29.838 1.00 51.22 H new ATOM 0 HD3 ARG A 22 -21.988 11.846 -29.999 1.00 51.22 H new ATOM 0 HE ARG A 22 -19.323 11.002 -30.215 1.00 31.32 H new ATOM 0 HH11 ARG A 22 -22.383 10.403 -31.872 1.00 23.12 H new ATOM 0 HH12 ARG A 22 -21.612 10.099 -33.432 1.00 23.12 H new ATOM 0 HH21 ARG A 22 -18.339 10.610 -32.224 1.00 73.44 H new ATOM 0 HH22 ARG A 22 -19.332 10.216 -33.631 1.00 73.44 H new ATOM 338 N PRO A 23 -23.736 13.166 -26.159 1.00 54.12 N ATOM 339 CA PRO A 23 -25.006 13.846 -25.889 1.00 53.51 C ATOM 340 C PRO A 23 -26.201 13.087 -26.453 1.00 21.34 C ATOM 341 O PRO A 23 -27.243 12.980 -25.807 1.00 52.41 O ATOM 342 CB PRO A 23 -24.844 15.193 -26.599 1.00 10.30 C ATOM 343 CG PRO A 23 -23.851 14.936 -27.678 1.00 34.45 C ATOM 344 CD PRO A 23 -22.911 13.894 -27.137 1.00 44.32 C ATOM 0 HA PRO A 23 -25.203 13.932 -24.821 1.00 53.51 H new ATOM 0 HB2 PRO A 23 -25.792 15.541 -27.009 1.00 10.30 H new ATOM 0 HB3 PRO A 23 -24.492 15.963 -25.912 1.00 10.30 H new ATOM 0 HG2 PRO A 23 -24.343 14.585 -28.585 1.00 34.45 H new ATOM 0 HG3 PRO A 23 -23.314 15.848 -27.939 1.00 34.45 H new ATOM 0 HD2 PRO A 23 -22.546 13.235 -27.924 1.00 44.32 H new ATOM 0 HD3 PRO A 23 -22.037 14.346 -26.668 1.00 44.32 H new ATOM 352 N GLY A 24 -26.045 12.560 -27.664 1.00 53.01 N ATOM 353 CA GLY A 24 -27.120 11.817 -28.295 1.00 51.51 C ATOM 354 C GLY A 24 -26.796 10.344 -28.444 1.00 71.14 C ATOM 355 O GLY A 24 -26.895 9.787 -29.536 1.00 74.43 O ATOM 0 H GLY A 24 -25.193 12.635 -28.219 1.00 53.01 H new ATOM 0 HA2 GLY A 24 -28.030 11.928 -27.705 1.00 51.51 H new ATOM 0 HA3 GLY A 24 -27.324 12.242 -29.278 1.00 51.51 H new ATOM 359 N GLY A 25 -26.407 9.710 -27.340 1.00 2.54 N ATOM 360 CA GLY A 25 -26.073 8.299 -27.375 1.00 15.12 C ATOM 361 C GLY A 25 -27.070 7.447 -26.615 1.00 24.34 C ATOM 362 O GLY A 25 -28.099 7.945 -26.155 1.00 21.43 O ATOM 0 H GLY A 25 -26.318 10.149 -26.424 1.00 2.54 H new ATOM 0 HA2 GLY A 25 -26.030 7.965 -28.412 1.00 15.12 H new ATOM 0 HA3 GLY A 25 -25.079 8.154 -26.952 1.00 15.12 H new ATOM 366 N LYS A 26 -26.769 6.160 -26.485 1.00 55.12 N ATOM 367 CA LYS A 26 -27.647 5.236 -25.776 1.00 4.13 C ATOM 368 C LYS A 26 -26.866 4.424 -24.748 1.00 61.23 C ATOM 369 O LYS A 26 -27.257 3.312 -24.393 1.00 23.42 O ATOM 370 CB LYS A 26 -28.338 4.296 -26.767 1.00 61.34 C ATOM 371 CG LYS A 26 -29.266 5.008 -27.736 1.00 43.31 C ATOM 372 CD LYS A 26 -30.723 4.688 -27.450 1.00 61.33 C ATOM 373 CE LYS A 26 -31.653 5.721 -28.068 1.00 71.45 C ATOM 374 NZ LYS A 26 -32.682 5.090 -28.940 1.00 23.13 N1+ ATOM 0 H LYS A 26 -25.923 5.732 -26.862 1.00 55.12 H new ATOM 0 HA LYS A 26 -28.403 5.821 -25.252 1.00 4.13 H new ATOM 0 HB2 LYS A 26 -27.579 3.758 -27.334 1.00 61.34 H new ATOM 0 HB3 LYS A 26 -28.908 3.552 -26.211 1.00 61.34 H new ATOM 0 HG2 LYS A 26 -29.109 6.084 -27.667 1.00 43.31 H new ATOM 0 HG3 LYS A 26 -29.022 4.715 -28.757 1.00 43.31 H new ATOM 0 HD2 LYS A 26 -30.963 3.700 -27.842 1.00 61.33 H new ATOM 0 HD3 LYS A 26 -30.884 4.651 -26.373 1.00 61.33 H new ATOM 0 HE2 LYS A 26 -32.145 6.286 -27.276 1.00 71.45 H new ATOM 0 HE3 LYS A 26 -31.069 6.432 -28.652 1.00 71.45 H new ATOM 0 HZ1 LYS A 26 -33.296 5.827 -29.342 1.00 23.13 H new ATOM 0 HZ2 LYS A 26 -32.214 4.571 -29.710 1.00 23.13 H new ATOM 0 HZ3 LYS A 26 -33.256 4.430 -28.378 1.00 23.13 H new ATOM 388 N LYS A 27 -25.762 4.987 -24.271 1.00 72.22 N ATOM 389 CA LYS A 27 -24.927 4.317 -23.281 1.00 1.43 C ATOM 390 C LYS A 27 -24.299 5.327 -22.326 1.00 13.32 C ATOM 391 O LYS A 27 -24.140 6.500 -22.665 1.00 61.42 O ATOM 392 CB LYS A 27 -23.831 3.504 -23.974 1.00 32.30 C ATOM 393 CG LYS A 27 -24.332 2.209 -24.589 1.00 51.11 C ATOM 394 CD LYS A 27 -24.384 2.295 -26.105 1.00 43.11 C ATOM 395 CE LYS A 27 -22.994 2.206 -26.717 1.00 0.14 C ATOM 396 NZ LYS A 27 -22.423 3.553 -26.994 1.00 63.32 N1+ ATOM 0 H LYS A 27 -25.424 5.907 -24.554 1.00 72.22 H new ATOM 0 HA LYS A 27 -25.560 3.643 -22.704 1.00 1.43 H new ATOM 0 HB2 LYS A 27 -23.375 4.114 -24.754 1.00 32.30 H new ATOM 0 HB3 LYS A 27 -23.048 3.274 -23.251 1.00 32.30 H new ATOM 0 HG2 LYS A 27 -23.679 1.388 -24.292 1.00 51.11 H new ATOM 0 HG3 LYS A 27 -25.325 1.982 -24.202 1.00 51.11 H new ATOM 0 HD2 LYS A 27 -25.006 1.490 -26.495 1.00 43.11 H new ATOM 0 HD3 LYS A 27 -24.854 3.233 -26.401 1.00 43.11 H new ATOM 0 HE2 LYS A 27 -22.333 1.664 -26.041 1.00 0.14 H new ATOM 0 HE3 LYS A 27 -23.041 1.634 -27.644 1.00 0.14 H new ATOM 0 HZ1 LYS A 27 -21.878 3.524 -27.879 1.00 63.32 H new ATOM 0 HZ2 LYS A 27 -23.194 4.245 -27.085 1.00 63.32 H new ATOM 0 HZ3 LYS A 27 -21.798 3.833 -26.211 1.00 63.32 H new ATOM 410 N GLN A 28 -23.941 4.863 -21.133 1.00 2.44 N ATOM 411 CA GLN A 28 -23.329 5.727 -20.130 1.00 21.42 C ATOM 412 C GLN A 28 -21.855 5.383 -19.942 1.00 44.43 C ATOM 413 O GLN A 28 -21.298 4.572 -20.681 1.00 34.21 O ATOM 414 CB GLN A 28 -24.069 5.600 -18.797 1.00 0.24 C ATOM 415 CG GLN A 28 -25.582 5.638 -18.936 1.00 40.13 C ATOM 416 CD GLN A 28 -26.200 4.254 -18.970 1.00 32.42 C ATOM 417 OE1 GLN A 28 -26.215 3.542 -17.965 1.00 14.34 O ATOM 418 NE2 GLN A 28 -26.714 3.864 -20.131 1.00 53.01 N ATOM 0 H GLN A 28 -24.064 3.895 -20.837 1.00 2.44 H new ATOM 0 HA GLN A 28 -23.401 6.757 -20.481 1.00 21.42 H new ATOM 0 HB2 GLN A 28 -23.780 4.665 -18.318 1.00 0.24 H new ATOM 0 HB3 GLN A 28 -23.753 6.407 -18.137 1.00 0.24 H new ATOM 0 HG2 GLN A 28 -26.005 6.200 -18.104 1.00 40.13 H new ATOM 0 HG3 GLN A 28 -25.846 6.172 -19.849 1.00 40.13 H new ATOM 0 HE21 GLN A 28 -26.680 4.486 -20.939 1.00 53.01 H new ATOM 0 HE22 GLN A 28 -27.143 2.942 -20.215 1.00 53.01 H new ATOM 427 N TYR A 29 -21.230 6.006 -18.949 1.00 3.03 N ATOM 428 CA TYR A 29 -19.819 5.768 -18.665 1.00 23.51 C ATOM 429 C TYR A 29 -19.645 4.566 -17.741 1.00 24.34 C ATOM 430 O TYR A 29 -20.507 4.275 -16.912 1.00 31.24 O ATOM 431 CB TYR A 29 -19.189 7.009 -18.032 1.00 53.41 C ATOM 432 CG TYR A 29 -18.442 7.880 -19.017 1.00 64.23 C ATOM 433 CD1 TYR A 29 -17.174 7.529 -19.463 1.00 54.33 C ATOM 434 CD2 TYR A 29 -19.006 9.054 -19.503 1.00 73.35 C ATOM 435 CE1 TYR A 29 -16.489 8.321 -20.362 1.00 11.42 C ATOM 436 CE2 TYR A 29 -18.328 9.851 -20.403 1.00 43.24 C ATOM 437 CZ TYR A 29 -17.070 9.482 -20.830 1.00 10.11 C ATOM 438 OH TYR A 29 -16.390 10.274 -21.726 1.00 4.32 O ATOM 0 H TYR A 29 -21.678 6.679 -18.327 1.00 3.03 H new ATOM 0 HA TYR A 29 -19.315 5.554 -19.607 1.00 23.51 H new ATOM 0 HB2 TYR A 29 -19.971 7.601 -17.557 1.00 53.41 H new ATOM 0 HB3 TYR A 29 -18.504 6.696 -17.244 1.00 53.41 H new ATOM 0 HD1 TYR A 29 -16.716 6.621 -19.100 1.00 54.33 H new ATOM 0 HD2 TYR A 29 -19.991 9.347 -19.171 1.00 73.35 H new ATOM 0 HE1 TYR A 29 -15.503 8.034 -20.697 1.00 11.42 H new ATOM 0 HE2 TYR A 29 -18.781 10.760 -20.771 1.00 43.24 H new ATOM 0 HH TYR A 29 -16.895 11.099 -21.882 1.00 4.32 H new ATOM 448 N LYS A 30 -18.522 3.872 -17.892 1.00 71.31 N ATOM 449 CA LYS A 30 -18.230 2.703 -17.072 1.00 61.35 C ATOM 450 C LYS A 30 -16.728 2.548 -16.858 1.00 2.32 C ATOM 451 O LYS A 30 -15.925 3.194 -17.535 1.00 63.04 O ATOM 452 CB LYS A 30 -18.795 1.439 -17.727 1.00 43.50 C ATOM 453 CG LYS A 30 -19.978 0.846 -16.983 1.00 25.21 C ATOM 454 CD LYS A 30 -19.574 -0.380 -16.180 1.00 45.23 C ATOM 455 CE LYS A 30 -20.102 -1.658 -16.811 1.00 62.44 C ATOM 456 NZ LYS A 30 -21.289 -2.187 -16.082 1.00 32.52 N1+ ATOM 0 H LYS A 30 -17.799 4.099 -18.575 1.00 71.31 H new ATOM 0 HA LYS A 30 -18.705 2.846 -16.101 1.00 61.35 H new ATOM 0 HB2 LYS A 30 -19.099 1.673 -18.747 1.00 43.50 H new ATOM 0 HB3 LYS A 30 -18.006 0.690 -17.793 1.00 43.50 H new ATOM 0 HG2 LYS A 30 -20.402 1.596 -16.315 1.00 25.21 H new ATOM 0 HG3 LYS A 30 -20.758 0.575 -17.695 1.00 25.21 H new ATOM 0 HD2 LYS A 30 -18.487 -0.429 -16.111 1.00 45.23 H new ATOM 0 HD3 LYS A 30 -19.954 -0.291 -15.162 1.00 45.23 H new ATOM 0 HE2 LYS A 30 -20.370 -1.466 -17.850 1.00 62.44 H new ATOM 0 HE3 LYS A 30 -19.315 -2.412 -16.818 1.00 62.44 H new ATOM 0 HZ1 LYS A 30 -21.619 -3.059 -16.543 1.00 32.52 H new ATOM 0 HZ2 LYS A 30 -21.028 -2.394 -15.097 1.00 32.52 H new ATOM 0 HZ3 LYS A 30 -22.050 -1.478 -16.097 1.00 32.52 H new ATOM 470 N LEU A 31 -16.353 1.690 -15.917 1.00 35.52 N ATOM 471 CA LEU A 31 -14.946 1.449 -15.616 1.00 1.44 C ATOM 472 C LEU A 31 -14.180 1.055 -16.875 1.00 52.40 C ATOM 473 O LEU A 31 -12.976 1.291 -16.982 1.00 11.42 O ATOM 474 CB LEU A 31 -14.810 0.354 -14.558 1.00 34.44 C ATOM 475 CG LEU A 31 -15.366 0.686 -13.173 1.00 73.51 C ATOM 476 CD1 LEU A 31 -15.865 -0.575 -12.482 1.00 1.12 C ATOM 477 CD2 LEU A 31 -14.309 1.377 -12.325 1.00 12.45 C ATOM 0 H LEU A 31 -17.004 1.149 -15.348 1.00 35.52 H new ATOM 0 HA LEU A 31 -14.519 2.374 -15.228 1.00 1.44 H new ATOM 0 HB2 LEU A 31 -15.312 -0.541 -14.924 1.00 34.44 H new ATOM 0 HB3 LEU A 31 -13.754 0.107 -14.454 1.00 34.44 H new ATOM 0 HG LEU A 31 -16.208 1.367 -13.295 1.00 73.51 H new ATOM 0 HD11 LEU A 31 -16.257 -0.320 -11.498 1.00 1.12 H new ATOM 0 HD12 LEU A 31 -16.655 -1.030 -13.080 1.00 1.12 H new ATOM 0 HD13 LEU A 31 -15.041 -1.280 -12.373 1.00 1.12 H new ATOM 0 HD21 LEU A 31 -14.723 1.606 -11.343 1.00 12.45 H new ATOM 0 HD22 LEU A 31 -13.447 0.720 -12.211 1.00 12.45 H new ATOM 0 HD23 LEU A 31 -13.999 2.301 -12.812 1.00 12.45 H new ATOM 489 N LYS A 32 -14.886 0.454 -17.827 1.00 14.24 N ATOM 490 CA LYS A 32 -14.273 0.029 -19.081 1.00 42.24 C ATOM 491 C LYS A 32 -13.507 1.178 -19.729 1.00 62.55 C ATOM 492 O LYS A 32 -12.505 0.962 -20.411 1.00 73.04 O ATOM 493 CB LYS A 32 -15.343 -0.492 -20.043 1.00 5.54 C ATOM 494 CG LYS A 32 -14.786 -1.347 -21.166 1.00 23.05 C ATOM 495 CD LYS A 32 -14.519 -2.770 -20.704 1.00 2.21 C ATOM 496 CE LYS A 32 -15.753 -3.646 -20.859 1.00 74.14 C ATOM 497 NZ LYS A 32 -15.541 -5.006 -20.292 1.00 73.24 N1+ ATOM 0 H LYS A 32 -15.883 0.250 -17.754 1.00 14.24 H new ATOM 0 HA LYS A 32 -13.569 -0.774 -18.860 1.00 42.24 H new ATOM 0 HB2 LYS A 32 -16.072 -1.075 -19.481 1.00 5.54 H new ATOM 0 HB3 LYS A 32 -15.877 0.356 -20.473 1.00 5.54 H new ATOM 0 HG2 LYS A 32 -15.490 -1.360 -21.998 1.00 23.05 H new ATOM 0 HG3 LYS A 32 -13.862 -0.905 -21.537 1.00 23.05 H new ATOM 0 HD2 LYS A 32 -13.696 -3.193 -21.281 1.00 2.21 H new ATOM 0 HD3 LYS A 32 -14.206 -2.762 -19.660 1.00 2.21 H new ATOM 0 HE2 LYS A 32 -16.599 -3.173 -20.361 1.00 74.14 H new ATOM 0 HE3 LYS A 32 -16.010 -3.729 -21.915 1.00 74.14 H new ATOM 0 HZ1 LYS A 32 -16.404 -5.573 -20.417 1.00 73.24 H new ATOM 0 HZ2 LYS A 32 -14.750 -5.468 -20.784 1.00 73.24 H new ATOM 0 HZ3 LYS A 32 -15.321 -4.929 -19.278 1.00 73.24 H new ATOM 511 N HIS A 33 -13.984 2.399 -19.509 1.00 2.21 N ATOM 512 CA HIS A 33 -13.342 3.584 -20.071 1.00 14.02 C ATOM 513 C HIS A 33 -12.206 4.062 -19.171 1.00 41.13 C ATOM 514 O HIS A 33 -11.221 4.560 -19.719 1.00 61.31 O ATOM 515 CB HIS A 33 -14.365 4.704 -20.259 1.00 75.22 C ATOM 516 CG HIS A 33 -15.635 4.251 -20.911 1.00 61.42 C ATOM 517 ND1 HIS A 33 -16.865 4.318 -20.291 1.00 61.10 N ATOM 518 CD2 HIS A 33 -15.863 3.723 -22.137 1.00 52.41 C ATOM 519 CE1 HIS A 33 -17.792 3.850 -21.107 1.00 62.04 C ATOM 520 NE2 HIS A 33 -17.210 3.483 -22.234 1.00 22.12 N ATOM 0 H HIS A 33 -14.812 2.595 -18.946 1.00 2.21 H new ATOM 0 HA HIS A 33 -12.926 3.317 -21.042 1.00 14.02 H new ATOM 0 HB2 HIS A 33 -14.600 5.138 -19.287 1.00 75.22 H new ATOM 0 HB3 HIS A 33 -13.919 5.495 -20.862 1.00 75.22 H new ATOM 0 HD2 HIS A 33 -15.122 3.527 -22.897 1.00 52.41 H new ATOM 0 HE1 HIS A 33 -18.847 3.779 -20.889 1.00 62.04 H new ATOM 0 HE2 HIS A 33 -17.685 3.086 -23.045 1.00 22.12 H new ATOM 528 N ILE A 34 -12.312 3.932 -17.853 1.00 34.31 N ATOM 529 CA ILE A 34 -11.252 4.373 -16.954 1.00 20.22 C ATOM 530 C ILE A 34 -10.034 3.461 -17.050 1.00 33.43 C ATOM 531 O ILE A 34 -8.895 3.926 -17.046 1.00 53.31 O ATOM 532 CB ILE A 34 -11.735 4.415 -15.493 1.00 53.22 C ATOM 533 CG1 ILE A 34 -13.062 5.170 -15.392 1.00 34.24 C ATOM 534 CG2 ILE A 34 -10.682 5.063 -14.606 1.00 75.14 C ATOM 535 CD1 ILE A 34 -13.647 5.181 -13.997 1.00 34.23 C ATOM 0 H ILE A 34 -13.121 3.525 -17.384 1.00 34.31 H new ATOM 0 HA ILE A 34 -10.973 5.380 -17.265 1.00 20.22 H new ATOM 0 HB ILE A 34 -11.894 3.393 -15.149 1.00 53.22 H new ATOM 0 HG12 ILE A 34 -12.912 6.198 -15.722 1.00 34.24 H new ATOM 0 HG13 ILE A 34 -13.781 4.718 -16.075 1.00 34.24 H new ATOM 0 HG21 ILE A 34 -11.038 5.086 -13.576 1.00 75.14 H new ATOM 0 HG22 ILE A 34 -9.758 4.487 -14.658 1.00 75.14 H new ATOM 0 HG23 ILE A 34 -10.495 6.081 -14.948 1.00 75.14 H new ATOM 0 HD11 ILE A 34 -14.587 5.734 -14.001 1.00 34.23 H new ATOM 0 HD12 ILE A 34 -13.830 4.157 -13.671 1.00 34.23 H new ATOM 0 HD13 ILE A 34 -12.947 5.660 -13.313 1.00 34.23 H new ATOM 547 N VAL A 35 -10.282 2.158 -17.139 1.00 41.22 N ATOM 548 CA VAL A 35 -9.206 1.180 -17.239 1.00 63.21 C ATOM 549 C VAL A 35 -8.476 1.301 -18.572 1.00 33.00 C ATOM 550 O VAL A 35 -7.251 1.412 -18.611 1.00 13.33 O ATOM 551 CB VAL A 35 -9.738 -0.258 -17.087 1.00 61.15 C ATOM 552 CG1 VAL A 35 -8.606 -1.264 -17.223 1.00 72.21 C ATOM 553 CG2 VAL A 35 -10.451 -0.423 -15.753 1.00 43.04 C ATOM 0 H VAL A 35 -11.219 1.756 -17.144 1.00 41.22 H new ATOM 0 HA VAL A 35 -8.511 1.390 -16.426 1.00 63.21 H new ATOM 0 HB VAL A 35 -10.457 -0.447 -17.884 1.00 61.15 H new ATOM 0 HG11 VAL A 35 -9.001 -2.274 -17.113 1.00 72.21 H new ATOM 0 HG12 VAL A 35 -8.143 -1.161 -18.205 1.00 72.21 H new ATOM 0 HG13 VAL A 35 -7.861 -1.080 -16.449 1.00 72.21 H new ATOM 0 HG21 VAL A 35 -10.821 -1.444 -15.662 1.00 43.04 H new ATOM 0 HG22 VAL A 35 -9.755 -0.215 -14.940 1.00 43.04 H new ATOM 0 HG23 VAL A 35 -11.289 0.272 -15.700 1.00 43.04 H new ATOM 563 N TRP A 36 -9.236 1.278 -19.661 1.00 75.03 N ATOM 564 CA TRP A 36 -8.661 1.385 -20.996 1.00 23.04 C ATOM 565 C TRP A 36 -7.769 2.617 -21.107 1.00 12.02 C ATOM 566 O TRP A 36 -6.695 2.565 -21.705 1.00 22.44 O ATOM 567 CB TRP A 36 -9.769 1.446 -22.048 1.00 64.11 C ATOM 568 CG TRP A 36 -9.258 1.677 -23.437 1.00 4.21 C ATOM 569 CD1 TRP A 36 -8.780 0.735 -24.302 1.00 32.22 C ATOM 570 CD2 TRP A 36 -9.172 2.932 -24.122 1.00 42.23 C ATOM 571 NE1 TRP A 36 -8.401 1.328 -25.483 1.00 61.04 N ATOM 572 CE2 TRP A 36 -8.633 2.675 -25.397 1.00 1.14 C ATOM 573 CE3 TRP A 36 -9.500 4.248 -23.782 1.00 53.31 C ATOM 574 CZ2 TRP A 36 -8.415 3.686 -26.330 1.00 51.31 C ATOM 575 CZ3 TRP A 36 -9.282 5.250 -24.709 1.00 75.23 C ATOM 576 CH2 TRP A 36 -8.745 4.965 -25.970 1.00 32.23 C ATOM 0 H TRP A 36 -10.252 1.186 -19.645 1.00 75.03 H new ATOM 0 HA TRP A 36 -8.050 0.500 -21.173 1.00 23.04 H new ATOM 0 HB2 TRP A 36 -10.332 0.513 -22.026 1.00 64.11 H new ATOM 0 HB3 TRP A 36 -10.464 2.244 -21.787 1.00 64.11 H new ATOM 0 HD1 TRP A 36 -8.710 -0.322 -24.090 1.00 32.22 H new ATOM 0 HE1 TRP A 36 -8.011 0.844 -26.291 1.00 61.04 H new ATOM 0 HE3 TRP A 36 -9.916 4.478 -22.812 1.00 53.31 H new ATOM 0 HZ2 TRP A 36 -8.000 3.469 -27.303 1.00 51.31 H new ATOM 0 HZ3 TRP A 36 -9.530 6.270 -24.456 1.00 75.23 H new ATOM 0 HH2 TRP A 36 -8.588 5.770 -26.673 1.00 32.23 H new ATOM 587 N ALA A 37 -8.221 3.724 -20.526 1.00 34.53 N ATOM 588 CA ALA A 37 -7.462 4.967 -20.559 1.00 43.34 C ATOM 589 C ALA A 37 -6.197 4.861 -19.714 1.00 51.12 C ATOM 590 O ALA A 37 -5.217 5.566 -19.955 1.00 73.30 O ATOM 591 CB ALA A 37 -8.325 6.124 -20.078 1.00 0.41 C ATOM 0 H ALA A 37 -9.109 3.785 -20.027 1.00 34.53 H new ATOM 0 HA ALA A 37 -7.163 5.154 -21.590 1.00 43.34 H new ATOM 0 HB1 ALA A 37 -7.746 7.047 -20.108 1.00 0.41 H new ATOM 0 HB2 ALA A 37 -9.196 6.222 -20.725 1.00 0.41 H new ATOM 0 HB3 ALA A 37 -8.652 5.934 -19.056 1.00 0.41 H new ATOM 597 N SER A 38 -6.226 3.978 -18.720 1.00 25.51 N ATOM 598 CA SER A 38 -5.084 3.783 -17.837 1.00 14.11 C ATOM 599 C SER A 38 -3.949 3.070 -18.565 1.00 43.30 C ATOM 600 O SER A 38 -2.780 3.429 -18.418 1.00 61.42 O ATOM 601 CB SER A 38 -5.498 2.979 -16.603 1.00 52.14 C ATOM 602 OG SER A 38 -6.564 3.612 -15.915 1.00 13.44 O ATOM 0 H SER A 38 -7.029 3.387 -18.507 1.00 25.51 H new ATOM 0 HA SER A 38 -4.729 4.764 -17.521 1.00 14.11 H new ATOM 0 HB2 SER A 38 -5.800 1.976 -16.903 1.00 52.14 H new ATOM 0 HB3 SER A 38 -4.644 2.868 -15.934 1.00 52.14 H new ATOM 0 HG SER A 38 -7.418 3.331 -16.305 1.00 13.44 H new ATOM 608 N ARG A 39 -4.302 2.057 -19.350 1.00 12.42 N ATOM 609 CA ARG A 39 -3.314 1.293 -20.101 1.00 72.33 C ATOM 610 C ARG A 39 -2.787 2.098 -21.285 1.00 4.45 C ATOM 611 O ARG A 39 -1.664 1.886 -21.742 1.00 42.33 O ATOM 612 CB ARG A 39 -3.922 -0.021 -20.595 1.00 61.24 C ATOM 613 CG ARG A 39 -3.255 -1.258 -20.016 1.00 23.02 C ATOM 614 CD ARG A 39 -2.067 -1.696 -20.859 1.00 42.32 C ATOM 615 NE ARG A 39 -2.336 -2.935 -21.581 1.00 31.44 N ATOM 616 CZ ARG A 39 -1.443 -3.545 -22.352 1.00 33.03 C ATOM 617 NH1 ARG A 39 -0.229 -3.032 -22.499 1.00 34.33 N1+ ATOM 618 NH2 ARG A 39 -1.762 -4.671 -22.978 1.00 24.32 N ATOM 0 H ARG A 39 -5.265 1.747 -19.482 1.00 12.42 H new ATOM 0 HA ARG A 39 -2.480 1.073 -19.434 1.00 72.33 H new ATOM 0 HB2 ARG A 39 -4.982 -0.038 -20.342 1.00 61.24 H new ATOM 0 HB3 ARG A 39 -3.853 -0.057 -21.682 1.00 61.24 H new ATOM 0 HG2 ARG A 39 -2.924 -1.052 -18.998 1.00 23.02 H new ATOM 0 HG3 ARG A 39 -3.980 -2.070 -19.957 1.00 23.02 H new ATOM 0 HD2 ARG A 39 -1.817 -0.909 -21.570 1.00 42.32 H new ATOM 0 HD3 ARG A 39 -1.197 -1.832 -20.216 1.00 42.32 H new ATOM 0 HE ARG A 39 -3.261 -3.356 -21.489 1.00 31.44 H new ATOM 0 HH11 ARG A 39 0.021 -2.167 -22.019 1.00 34.33 H new ATOM 0 HH12 ARG A 39 0.455 -3.502 -23.092 1.00 34.33 H new ATOM 0 HH21 ARG A 39 -2.694 -5.069 -22.867 1.00 24.32 H new ATOM 0 HH22 ARG A 39 -1.075 -5.138 -23.570 1.00 24.32 H new ATOM 632 N GLU A 40 -3.608 3.022 -21.777 1.00 15.14 N ATOM 633 CA GLU A 40 -3.223 3.858 -22.909 1.00 3.20 C ATOM 634 C GLU A 40 -2.366 5.034 -22.450 1.00 33.30 C ATOM 635 O GLU A 40 -1.564 5.569 -23.218 1.00 63.51 O ATOM 636 CB GLU A 40 -4.467 4.373 -23.635 1.00 30.11 C ATOM 637 CG GLU A 40 -4.462 4.088 -25.129 1.00 55.45 C ATOM 638 CD GLU A 40 -3.474 4.955 -25.883 1.00 11.14 C ATOM 639 OE1 GLU A 40 -2.254 4.762 -25.700 1.00 13.02 O1- ATOM 640 OE2 GLU A 40 -3.920 5.826 -26.659 1.00 24.34 O ATOM 0 H GLU A 40 -4.541 3.210 -21.411 1.00 15.14 H new ATOM 0 HA GLU A 40 -2.635 3.249 -23.596 1.00 3.20 H new ATOM 0 HB2 GLU A 40 -5.352 3.918 -23.190 1.00 30.11 H new ATOM 0 HB3 GLU A 40 -4.549 5.449 -23.479 1.00 30.11 H new ATOM 0 HG2 GLU A 40 -4.219 3.038 -25.294 1.00 55.45 H new ATOM 0 HG3 GLU A 40 -5.463 4.251 -25.530 1.00 55.45 H new ATOM 647 N LEU A 41 -2.539 5.432 -21.195 1.00 74.21 N ATOM 648 CA LEU A 41 -1.781 6.545 -20.633 1.00 62.45 C ATOM 649 C LEU A 41 -0.326 6.152 -20.406 1.00 53.22 C ATOM 650 O LEU A 41 0.590 6.855 -20.834 1.00 40.20 O ATOM 651 CB LEU A 41 -2.410 7.001 -19.315 1.00 71.03 C ATOM 652 CG LEU A 41 -3.370 8.188 -19.404 1.00 73.11 C ATOM 653 CD1 LEU A 41 -3.969 8.494 -18.041 1.00 53.14 C ATOM 654 CD2 LEU A 41 -2.655 9.411 -19.962 1.00 72.25 C ATOM 0 H LEU A 41 -3.198 5.001 -20.547 1.00 74.21 H new ATOM 0 HA LEU A 41 -1.808 7.369 -21.346 1.00 62.45 H new ATOM 0 HB2 LEU A 41 -2.947 6.157 -18.881 1.00 71.03 H new ATOM 0 HB3 LEU A 41 -1.608 7.259 -18.623 1.00 71.03 H new ATOM 0 HG LEU A 41 -4.181 7.925 -20.083 1.00 73.11 H new ATOM 0 HD11 LEU A 41 -4.649 9.342 -18.125 1.00 53.14 H new ATOM 0 HD12 LEU A 41 -4.517 7.623 -17.680 1.00 53.14 H new ATOM 0 HD13 LEU A 41 -3.171 8.737 -17.339 1.00 53.14 H new ATOM 0 HD21 LEU A 41 -3.353 10.246 -20.019 1.00 72.25 H new ATOM 0 HD22 LEU A 41 -1.824 9.676 -19.309 1.00 72.25 H new ATOM 0 HD23 LEU A 41 -2.276 9.187 -20.959 1.00 72.25 H new ATOM 666 N GLU A 42 -0.119 5.025 -19.733 1.00 40.45 N ATOM 667 CA GLU A 42 1.226 4.540 -19.450 1.00 33.11 C ATOM 668 C GLU A 42 2.034 4.396 -20.738 1.00 61.33 C ATOM 669 O GLU A 42 3.263 4.472 -20.724 1.00 44.50 O ATOM 670 CB GLU A 42 1.166 3.196 -18.721 1.00 71.44 C ATOM 671 CG GLU A 42 2.533 2.619 -18.393 1.00 41.04 C ATOM 672 CD GLU A 42 2.517 1.753 -17.149 1.00 55.54 C ATOM 673 OE1 GLU A 42 2.119 0.575 -17.251 1.00 61.42 O ATOM 674 OE2 GLU A 42 2.903 2.255 -16.072 1.00 75.42 O1- ATOM 0 H GLU A 42 -0.866 4.431 -19.374 1.00 40.45 H new ATOM 0 HA GLU A 42 1.720 5.270 -18.809 1.00 33.11 H new ATOM 0 HB2 GLU A 42 0.602 3.319 -17.797 1.00 71.44 H new ATOM 0 HB3 GLU A 42 0.618 2.483 -19.337 1.00 71.44 H new ATOM 0 HG2 GLU A 42 2.886 2.028 -19.238 1.00 41.04 H new ATOM 0 HG3 GLU A 42 3.244 3.434 -18.255 1.00 41.04 H new ATOM 681 N ARG A 43 1.334 4.187 -21.848 1.00 71.45 N ATOM 682 CA ARG A 43 1.984 4.029 -23.143 1.00 2.32 C ATOM 683 C ARG A 43 2.567 5.355 -23.622 1.00 11.54 C ATOM 684 O ARG A 43 3.541 5.381 -24.376 1.00 3.11 O ATOM 685 CB ARG A 43 0.990 3.495 -24.175 1.00 25.43 C ATOM 686 CG ARG A 43 0.990 1.979 -24.293 1.00 70.01 C ATOM 687 CD ARG A 43 2.125 1.489 -25.178 1.00 3.35 C ATOM 688 NE ARG A 43 2.060 0.048 -25.405 1.00 44.21 N ATOM 689 CZ ARG A 43 2.908 -0.613 -26.186 1.00 42.24 C ATOM 690 NH1 ARG A 43 3.879 0.036 -26.812 1.00 13.54 N1+ ATOM 691 NH2 ARG A 43 2.783 -1.924 -26.341 1.00 54.20 N ATOM 0 H ARG A 43 0.316 4.123 -21.876 1.00 71.45 H new ATOM 0 HA ARG A 43 2.798 3.313 -23.029 1.00 2.32 H new ATOM 0 HB2 ARG A 43 -0.012 3.830 -23.909 1.00 25.43 H new ATOM 0 HB3 ARG A 43 1.223 3.927 -25.148 1.00 25.43 H new ATOM 0 HG2 ARG A 43 1.083 1.536 -23.302 1.00 70.01 H new ATOM 0 HG3 ARG A 43 0.037 1.645 -24.703 1.00 70.01 H new ATOM 0 HD2 ARG A 43 2.088 2.009 -26.135 1.00 3.35 H new ATOM 0 HD3 ARG A 43 3.079 1.740 -24.715 1.00 3.35 H new ATOM 0 HE ARG A 43 1.323 -0.480 -24.938 1.00 44.21 H new ATOM 0 HH11 ARG A 43 3.976 1.045 -26.695 1.00 13.54 H new ATOM 0 HH12 ARG A 43 4.529 -0.473 -27.411 1.00 13.54 H new ATOM 0 HH21 ARG A 43 2.036 -2.425 -25.861 1.00 54.20 H new ATOM 0 HH22 ARG A 43 3.434 -2.431 -26.941 1.00 54.20 H new ATOM 705 N PHE A 44 1.966 6.455 -23.180 1.00 62.30 N ATOM 706 CA PHE A 44 2.424 7.784 -23.565 1.00 4.52 C ATOM 707 C PHE A 44 3.355 8.367 -22.505 1.00 42.13 C ATOM 708 O PHE A 44 3.446 9.584 -22.344 1.00 23.20 O ATOM 709 CB PHE A 44 1.230 8.717 -23.779 1.00 61.33 C ATOM 710 CG PHE A 44 0.291 8.252 -24.854 1.00 35.44 C ATOM 711 CD1 PHE A 44 0.760 7.969 -26.127 1.00 74.14 C ATOM 712 CD2 PHE A 44 -1.061 8.096 -24.593 1.00 13.43 C ATOM 713 CE1 PHE A 44 -0.102 7.540 -27.118 1.00 20.04 C ATOM 714 CE2 PHE A 44 -1.928 7.668 -25.580 1.00 2.13 C ATOM 715 CZ PHE A 44 -1.447 7.389 -26.845 1.00 60.42 C ATOM 0 H PHE A 44 1.160 6.452 -22.555 1.00 62.30 H new ATOM 0 HA PHE A 44 2.977 7.693 -24.500 1.00 4.52 H new ATOM 0 HB2 PHE A 44 0.680 8.810 -22.843 1.00 61.33 H new ATOM 0 HB3 PHE A 44 1.597 9.711 -24.034 1.00 61.33 H new ATOM 0 HD1 PHE A 44 1.811 8.085 -26.347 1.00 74.14 H new ATOM 0 HD2 PHE A 44 -1.442 8.312 -23.606 1.00 13.43 H new ATOM 0 HE1 PHE A 44 0.276 7.323 -28.106 1.00 20.04 H new ATOM 0 HE2 PHE A 44 -2.980 7.552 -25.363 1.00 2.13 H new ATOM 0 HZ PHE A 44 -2.122 7.053 -27.619 1.00 60.42 H new ATOM 725 N ALA A 45 4.044 7.489 -21.785 1.00 74.24 N ATOM 726 CA ALA A 45 4.969 7.913 -20.741 1.00 3.43 C ATOM 727 C ALA A 45 4.233 8.629 -19.613 1.00 74.02 C ATOM 728 O ALA A 45 4.832 9.385 -18.848 1.00 73.45 O ATOM 729 CB ALA A 45 6.046 8.816 -21.326 1.00 31.04 C ATOM 0 H ALA A 45 3.979 6.478 -21.905 1.00 74.24 H new ATOM 0 HA ALA A 45 5.441 7.023 -20.325 1.00 3.43 H new ATOM 0 HB1 ALA A 45 6.730 9.125 -20.536 1.00 31.04 H new ATOM 0 HB2 ALA A 45 6.599 8.273 -22.093 1.00 31.04 H new ATOM 0 HB3 ALA A 45 5.581 9.697 -21.769 1.00 31.04 H new ATOM 735 N VAL A 46 2.930 8.385 -19.515 1.00 4.24 N ATOM 736 CA VAL A 46 2.111 9.005 -18.481 1.00 44.52 C ATOM 737 C VAL A 46 1.498 7.956 -17.562 1.00 74.50 C ATOM 738 O VAL A 46 0.676 7.146 -17.989 1.00 54.12 O ATOM 739 CB VAL A 46 0.983 9.858 -19.092 1.00 30.43 C ATOM 740 CG1 VAL A 46 0.118 10.464 -17.998 1.00 21.40 C ATOM 741 CG2 VAL A 46 1.561 10.943 -19.988 1.00 52.20 C ATOM 0 H VAL A 46 2.419 7.762 -20.140 1.00 4.24 H new ATOM 0 HA VAL A 46 2.771 9.651 -17.902 1.00 44.52 H new ATOM 0 HB VAL A 46 0.353 9.211 -19.703 1.00 30.43 H new ATOM 0 HG11 VAL A 46 -0.673 11.063 -18.449 1.00 21.40 H new ATOM 0 HG12 VAL A 46 -0.326 9.667 -17.402 1.00 21.40 H new ATOM 0 HG13 VAL A 46 0.732 11.097 -17.358 1.00 21.40 H new ATOM 0 HG21 VAL A 46 0.750 11.536 -20.411 1.00 52.20 H new ATOM 0 HG22 VAL A 46 2.215 11.589 -19.402 1.00 52.20 H new ATOM 0 HG23 VAL A 46 2.133 10.483 -20.794 1.00 52.20 H new ATOM 751 N ASN A 47 1.905 7.975 -16.296 1.00 60.03 N ATOM 752 CA ASN A 47 1.396 7.024 -15.315 1.00 24.21 C ATOM 753 C ASN A 47 -0.112 7.181 -15.136 1.00 13.23 C ATOM 754 O ASN A 47 -0.657 8.284 -15.197 1.00 32.24 O ATOM 755 CB ASN A 47 2.103 7.216 -13.972 1.00 34.23 C ATOM 756 CG ASN A 47 3.496 6.615 -13.962 1.00 1.40 C ATOM 757 OD1 ASN A 47 4.382 7.061 -14.691 1.00 64.01 O ATOM 758 ND2 ASN A 47 3.694 5.597 -13.133 1.00 74.02 N ATOM 0 H ASN A 47 2.586 8.639 -15.926 1.00 60.03 H new ATOM 0 HA ASN A 47 1.598 6.018 -15.683 1.00 24.21 H new ATOM 0 HB2 ASN A 47 2.168 8.281 -13.747 1.00 34.23 H new ATOM 0 HB3 ASN A 47 1.507 6.759 -13.182 1.00 34.23 H new ATOM 0 HD21 ASN A 47 4.610 5.151 -13.082 1.00 74.02 H new ATOM 0 HD22 ASN A 47 2.930 5.260 -12.547 1.00 74.02 H new ATOM 765 N PRO A 48 -0.802 6.054 -14.907 1.00 13.04 N ATOM 766 CA PRO A 48 -2.254 6.041 -14.713 1.00 35.33 C ATOM 767 C PRO A 48 -2.667 6.678 -13.391 1.00 62.21 C ATOM 768 O PRO A 48 -3.843 6.966 -13.170 1.00 31.15 O ATOM 769 CB PRO A 48 -2.599 4.549 -14.719 1.00 1.25 C ATOM 770 CG PRO A 48 -1.346 3.869 -14.288 1.00 14.10 C ATOM 771 CD PRO A 48 -0.216 4.706 -14.821 1.00 75.42 C ATOM 0 HA PRO A 48 -2.773 6.616 -15.480 1.00 35.33 H new ATOM 0 HB2 PRO A 48 -3.422 4.330 -14.039 1.00 1.25 H new ATOM 0 HB3 PRO A 48 -2.908 4.218 -15.710 1.00 1.25 H new ATOM 0 HG2 PRO A 48 -1.297 3.793 -13.202 1.00 14.10 H new ATOM 0 HG3 PRO A 48 -1.298 2.853 -14.681 1.00 14.10 H new ATOM 0 HD2 PRO A 48 0.648 4.685 -14.157 1.00 75.42 H new ATOM 0 HD3 PRO A 48 0.122 4.352 -15.795 1.00 75.42 H new ATOM 779 N GLY A 49 -1.693 6.895 -12.512 1.00 21.13 N ATOM 780 CA GLY A 49 -1.976 7.496 -11.223 1.00 63.22 C ATOM 781 C GLY A 49 -2.454 8.930 -11.345 1.00 74.11 C ATOM 782 O GLY A 49 -3.014 9.488 -10.400 1.00 41.22 O ATOM 0 H GLY A 49 -0.712 6.665 -12.671 1.00 21.13 H new ATOM 0 HA2 GLY A 49 -2.735 6.906 -10.709 1.00 63.22 H new ATOM 0 HA3 GLY A 49 -1.077 7.467 -10.607 1.00 63.22 H new ATOM 786 N LEU A 50 -2.231 9.529 -12.509 1.00 21.13 N ATOM 787 CA LEU A 50 -2.641 10.908 -12.751 1.00 0.31 C ATOM 788 C LEU A 50 -4.150 11.000 -12.955 1.00 73.03 C ATOM 789 O LEU A 50 -4.756 12.048 -12.723 1.00 33.34 O ATOM 790 CB LEU A 50 -1.915 11.470 -13.974 1.00 40.12 C ATOM 791 CG LEU A 50 -0.390 11.356 -13.961 1.00 74.32 C ATOM 792 CD1 LEU A 50 0.206 12.009 -15.198 1.00 23.54 C ATOM 793 CD2 LEU A 50 0.181 11.983 -12.698 1.00 73.45 C ATOM 0 H LEU A 50 -1.768 9.082 -13.300 1.00 21.13 H new ATOM 0 HA LEU A 50 -2.375 11.499 -11.875 1.00 0.31 H new ATOM 0 HB2 LEU A 50 -2.290 10.959 -14.861 1.00 40.12 H new ATOM 0 HB3 LEU A 50 -2.180 12.522 -14.077 1.00 40.12 H new ATOM 0 HG LEU A 50 -0.125 10.299 -13.970 1.00 74.32 H new ATOM 0 HD11 LEU A 50 1.292 11.918 -15.170 1.00 23.54 H new ATOM 0 HD12 LEU A 50 -0.177 11.515 -16.091 1.00 23.54 H new ATOM 0 HD13 LEU A 50 -0.069 13.064 -15.221 1.00 23.54 H new ATOM 0 HD21 LEU A 50 1.267 11.893 -12.706 1.00 73.45 H new ATOM 0 HD22 LEU A 50 -0.095 13.037 -12.658 1.00 73.45 H new ATOM 0 HD23 LEU A 50 -0.219 11.470 -11.824 1.00 73.45 H new ATOM 805 N LEU A 51 -4.751 9.897 -13.386 1.00 63.21 N ATOM 806 CA LEU A 51 -6.191 9.851 -13.619 1.00 62.01 C ATOM 807 C LEU A 51 -6.960 10.104 -12.325 1.00 5.54 C ATOM 808 O LEU A 51 -8.104 10.556 -12.352 1.00 42.45 O ATOM 809 CB LEU A 51 -6.590 8.497 -14.205 1.00 23.44 C ATOM 810 CG LEU A 51 -6.148 8.233 -15.645 1.00 20.32 C ATOM 811 CD1 LEU A 51 -6.597 6.851 -16.097 1.00 42.53 C ATOM 812 CD2 LEU A 51 -6.696 9.304 -16.576 1.00 2.20 C ATOM 0 H LEU A 51 -4.264 9.022 -13.581 1.00 63.21 H new ATOM 0 HA LEU A 51 -6.444 10.637 -14.331 1.00 62.01 H new ATOM 0 HB2 LEU A 51 -6.178 7.713 -13.570 1.00 23.44 H new ATOM 0 HB3 LEU A 51 -7.675 8.408 -14.157 1.00 23.44 H new ATOM 0 HG LEU A 51 -5.059 8.269 -15.683 1.00 20.32 H new ATOM 0 HD11 LEU A 51 -6.273 6.681 -17.124 1.00 42.53 H new ATOM 0 HD12 LEU A 51 -6.156 6.095 -15.448 1.00 42.53 H new ATOM 0 HD13 LEU A 51 -7.684 6.786 -16.044 1.00 42.53 H new ATOM 0 HD21 LEU A 51 -6.371 9.100 -17.596 1.00 2.20 H new ATOM 0 HD22 LEU A 51 -7.785 9.300 -16.534 1.00 2.20 H new ATOM 0 HD23 LEU A 51 -6.325 10.281 -16.266 1.00 2.20 H new ATOM 824 N GLU A 52 -6.322 9.813 -11.196 1.00 2.01 N ATOM 825 CA GLU A 52 -6.946 10.011 -9.893 1.00 21.23 C ATOM 826 C GLU A 52 -6.462 11.306 -9.249 1.00 5.44 C ATOM 827 O GLU A 52 -6.478 11.450 -8.026 1.00 30.54 O ATOM 828 CB GLU A 52 -6.644 8.826 -8.974 1.00 53.21 C ATOM 829 CG GLU A 52 -5.169 8.676 -8.640 1.00 72.00 C ATOM 830 CD GLU A 52 -4.934 7.849 -7.390 1.00 45.32 C ATOM 831 OE1 GLU A 52 -5.906 7.615 -6.642 1.00 63.52 O1- ATOM 832 OE2 GLU A 52 -3.778 7.438 -7.160 1.00 21.45 O ATOM 0 H GLU A 52 -5.374 9.439 -11.157 1.00 2.01 H new ATOM 0 HA GLU A 52 -8.024 10.081 -10.041 1.00 21.23 H new ATOM 0 HB2 GLU A 52 -7.208 8.942 -8.048 1.00 53.21 H new ATOM 0 HB3 GLU A 52 -6.996 7.910 -9.449 1.00 53.21 H new ATOM 0 HG2 GLU A 52 -4.656 8.210 -9.481 1.00 72.00 H new ATOM 0 HG3 GLU A 52 -4.729 9.664 -8.505 1.00 72.00 H new ATOM 839 N THR A 53 -6.030 12.249 -10.082 1.00 64.22 N ATOM 840 CA THR A 53 -5.540 13.533 -9.595 1.00 21.24 C ATOM 841 C THR A 53 -6.122 14.686 -10.404 1.00 54.11 C ATOM 842 O THR A 53 -5.971 14.739 -11.624 1.00 44.11 O ATOM 843 CB THR A 53 -4.003 13.605 -9.652 1.00 15.05 C ATOM 844 OG1 THR A 53 -3.569 13.746 -11.010 1.00 71.14 O ATOM 845 CG2 THR A 53 -3.380 12.358 -9.043 1.00 74.52 C ATOM 0 H THR A 53 -6.010 12.147 -11.097 1.00 64.22 H new ATOM 0 HA THR A 53 -5.862 13.622 -8.558 1.00 21.24 H new ATOM 0 HB THR A 53 -3.680 14.472 -9.076 1.00 15.05 H new ATOM 0 HG1 THR A 53 -4.220 13.322 -11.607 1.00 71.14 H new ATOM 0 HG21 THR A 53 -2.294 12.432 -9.095 1.00 74.52 H new ATOM 0 HG22 THR A 53 -3.689 12.269 -8.001 1.00 74.52 H new ATOM 0 HG23 THR A 53 -3.711 11.479 -9.596 1.00 74.52 H new ATOM 853 N SER A 54 -6.787 15.609 -9.717 1.00 71.03 N ATOM 854 CA SER A 54 -7.395 16.761 -10.372 1.00 1.34 C ATOM 855 C SER A 54 -6.348 17.565 -11.136 1.00 11.22 C ATOM 856 O SER A 54 -6.672 18.295 -12.072 1.00 42.10 O ATOM 857 CB SER A 54 -8.088 17.654 -9.342 1.00 53.10 C ATOM 858 OG SER A 54 -8.399 16.929 -8.165 1.00 75.31 O ATOM 0 H SER A 54 -6.919 15.581 -8.706 1.00 71.03 H new ATOM 0 HA SER A 54 -8.137 16.395 -11.082 1.00 1.34 H new ATOM 0 HB2 SER A 54 -7.443 18.497 -9.094 1.00 53.10 H new ATOM 0 HB3 SER A 54 -9.001 18.067 -9.770 1.00 53.10 H new ATOM 0 HG SER A 54 -8.840 17.523 -7.522 1.00 75.31 H new ATOM 864 N GLU A 55 -5.089 17.425 -10.730 1.00 61.34 N ATOM 865 CA GLU A 55 -3.995 18.140 -11.376 1.00 72.24 C ATOM 866 C GLU A 55 -3.500 17.381 -12.604 1.00 54.54 C ATOM 867 O GLU A 55 -3.298 17.964 -13.668 1.00 14.43 O ATOM 868 CB GLU A 55 -2.841 18.347 -10.392 1.00 41.23 C ATOM 869 CG GLU A 55 -2.258 19.750 -10.425 1.00 64.15 C ATOM 870 CD GLU A 55 -0.784 19.778 -10.072 1.00 25.35 C ATOM 871 OE1 GLU A 55 -0.376 19.016 -9.171 1.00 14.20 O ATOM 872 OE2 GLU A 55 -0.038 20.561 -10.698 1.00 60.43 O1- ATOM 0 H GLU A 55 -4.802 16.824 -9.958 1.00 61.34 H new ATOM 0 HA GLU A 55 -4.369 19.112 -11.697 1.00 72.24 H new ATOM 0 HB2 GLU A 55 -3.192 18.132 -9.383 1.00 41.23 H new ATOM 0 HB3 GLU A 55 -2.052 17.629 -10.615 1.00 41.23 H new ATOM 0 HG2 GLU A 55 -2.398 20.174 -11.419 1.00 64.15 H new ATOM 0 HG3 GLU A 55 -2.807 20.384 -9.728 1.00 64.15 H new ATOM 879 N GLY A 56 -3.305 16.075 -12.447 1.00 43.01 N ATOM 880 CA GLY A 56 -2.835 15.257 -13.549 1.00 0.23 C ATOM 881 C GLY A 56 -3.795 15.257 -14.723 1.00 44.45 C ATOM 882 O GLY A 56 -3.390 15.477 -15.865 1.00 72.11 O ATOM 0 H GLY A 56 -3.464 15.569 -11.576 1.00 43.01 H new ATOM 0 HA2 GLY A 56 -1.862 15.622 -13.879 1.00 0.23 H new ATOM 0 HA3 GLY A 56 -2.691 14.234 -13.202 1.00 0.23 H new ATOM 886 N CYS A 57 -5.070 15.010 -14.441 1.00 35.22 N ATOM 887 CA CYS A 57 -6.090 14.979 -15.483 1.00 1.30 C ATOM 888 C CYS A 57 -6.043 16.248 -16.328 1.00 12.03 C ATOM 889 O CYS A 57 -6.336 16.222 -17.524 1.00 75.35 O ATOM 890 CB CYS A 57 -7.478 14.819 -14.860 1.00 23.53 C ATOM 891 SG CYS A 57 -8.272 13.235 -15.225 1.00 10.43 S ATOM 0 H CYS A 57 -5.421 14.829 -13.501 1.00 35.22 H new ATOM 0 HA CYS A 57 -5.888 14.126 -16.130 1.00 1.30 H new ATOM 0 HB2 CYS A 57 -7.395 14.931 -13.779 1.00 23.53 H new ATOM 0 HB3 CYS A 57 -8.119 15.625 -15.215 1.00 23.53 H new ATOM 0 HG CYS A 57 -9.439 13.193 -14.654 1.00 10.43 H new ATOM 897 N ARG A 58 -5.671 17.359 -15.699 1.00 73.13 N ATOM 898 CA ARG A 58 -5.588 18.638 -16.393 1.00 52.23 C ATOM 899 C ARG A 58 -4.387 18.669 -17.333 1.00 24.34 C ATOM 900 O ARG A 58 -4.490 19.131 -18.470 1.00 30.43 O ATOM 901 CB ARG A 58 -5.487 19.784 -15.383 1.00 25.15 C ATOM 902 CG ARG A 58 -5.656 21.160 -16.006 1.00 5.32 C ATOM 903 CD ARG A 58 -5.158 22.257 -15.077 1.00 54.03 C ATOM 904 NE ARG A 58 -6.099 22.526 -13.994 1.00 73.32 N ATOM 905 CZ ARG A 58 -5.852 23.369 -12.998 1.00 71.23 C ATOM 906 NH1 ARG A 58 -4.699 24.022 -12.948 1.00 32.23 N1+ ATOM 907 NH2 ARG A 58 -6.758 23.561 -12.048 1.00 23.32 N ATOM 0 H ARG A 58 -5.423 17.398 -14.711 1.00 73.13 H new ATOM 0 HA ARG A 58 -6.495 18.762 -16.985 1.00 52.23 H new ATOM 0 HB2 ARG A 58 -6.247 19.647 -14.613 1.00 25.15 H new ATOM 0 HB3 ARG A 58 -4.518 19.736 -14.887 1.00 25.15 H new ATOM 0 HG2 ARG A 58 -5.110 21.204 -16.948 1.00 5.32 H new ATOM 0 HG3 ARG A 58 -6.707 21.329 -16.239 1.00 5.32 H new ATOM 0 HD2 ARG A 58 -4.195 21.967 -14.657 1.00 54.03 H new ATOM 0 HD3 ARG A 58 -4.994 23.170 -15.649 1.00 54.03 H new ATOM 0 HE ARG A 58 -6.996 22.040 -14.003 1.00 73.32 H new ATOM 0 HH11 ARG A 58 -3.999 23.877 -13.676 1.00 32.23 H new ATOM 0 HH12 ARG A 58 -4.512 24.669 -12.182 1.00 32.23 H new ATOM 0 HH21 ARG A 58 -7.646 23.061 -12.082 1.00 23.32 H new ATOM 0 HH22 ARG A 58 -6.566 24.209 -11.284 1.00 23.32 H new ATOM 921 N GLN A 59 -3.252 18.174 -16.853 1.00 52.24 N ATOM 922 CA GLN A 59 -2.032 18.146 -17.651 1.00 1.25 C ATOM 923 C GLN A 59 -2.192 17.226 -18.858 1.00 54.54 C ATOM 924 O GLN A 59 -1.762 17.556 -19.964 1.00 54.35 O ATOM 925 CB GLN A 59 -0.848 17.687 -16.798 1.00 63.51 C ATOM 926 CG GLN A 59 -0.309 18.767 -15.874 1.00 61.41 C ATOM 927 CD GLN A 59 0.717 18.235 -14.892 1.00 63.12 C ATOM 928 OE1 GLN A 59 0.426 18.058 -13.709 1.00 52.13 O ATOM 929 NE2 GLN A 59 1.924 17.977 -15.379 1.00 14.44 N ATOM 0 H GLN A 59 -3.151 17.786 -15.915 1.00 52.24 H new ATOM 0 HA GLN A 59 -1.840 19.157 -18.010 1.00 1.25 H new ATOM 0 HB2 GLN A 59 -1.153 16.828 -16.200 1.00 63.51 H new ATOM 0 HB3 GLN A 59 -0.047 17.350 -17.455 1.00 63.51 H new ATOM 0 HG2 GLN A 59 0.142 19.559 -16.471 1.00 61.41 H new ATOM 0 HG3 GLN A 59 -1.136 19.215 -15.323 1.00 61.41 H new ATOM 0 HE21 GLN A 59 2.121 18.139 -16.367 1.00 14.44 H new ATOM 0 HE22 GLN A 59 2.655 17.617 -14.766 1.00 14.44 H new ATOM 938 N ILE A 60 -2.813 16.072 -18.637 1.00 3.43 N ATOM 939 CA ILE A 60 -3.030 15.107 -19.707 1.00 63.31 C ATOM 940 C ILE A 60 -3.818 15.726 -20.856 1.00 23.03 C ATOM 941 O ILE A 60 -3.558 15.441 -22.026 1.00 0.13 O ATOM 942 CB ILE A 60 -3.781 13.862 -19.197 1.00 72.43 C ATOM 943 CG1 ILE A 60 -2.999 13.198 -18.063 1.00 74.44 C ATOM 944 CG2 ILE A 60 -4.012 12.880 -20.335 1.00 34.33 C ATOM 945 CD1 ILE A 60 -3.834 12.255 -17.224 1.00 71.14 C ATOM 0 H ILE A 60 -3.174 15.783 -17.728 1.00 3.43 H new ATOM 0 HA ILE A 60 -2.045 14.807 -20.066 1.00 63.31 H new ATOM 0 HB ILE A 60 -4.751 14.174 -18.810 1.00 72.43 H new ATOM 0 HG12 ILE A 60 -2.158 12.648 -18.486 1.00 74.44 H new ATOM 0 HG13 ILE A 60 -2.582 13.972 -17.419 1.00 74.44 H new ATOM 0 HG21 ILE A 60 -4.543 12.006 -19.959 1.00 34.33 H new ATOM 0 HG22 ILE A 60 -4.606 13.359 -21.114 1.00 34.33 H new ATOM 0 HG23 ILE A 60 -3.052 12.571 -20.749 1.00 34.33 H new ATOM 0 HD11 ILE A 60 -3.214 11.821 -16.439 1.00 71.14 H new ATOM 0 HD12 ILE A 60 -4.660 12.804 -16.772 1.00 71.14 H new ATOM 0 HD13 ILE A 60 -4.230 11.460 -17.856 1.00 71.14 H new ATOM 957 N LEU A 61 -4.782 16.575 -20.516 1.00 14.51 N ATOM 958 CA LEU A 61 -5.606 17.238 -21.519 1.00 62.22 C ATOM 959 C LEU A 61 -4.810 18.306 -22.262 1.00 35.45 C ATOM 960 O LEU A 61 -5.115 18.639 -23.406 1.00 1.05 O ATOM 961 CB LEU A 61 -6.835 17.868 -20.862 1.00 42.41 C ATOM 962 CG LEU A 61 -7.792 16.902 -20.162 1.00 10.50 C ATOM 963 CD1 LEU A 61 -8.597 17.628 -19.095 1.00 25.41 C ATOM 964 CD2 LEU A 61 -8.716 16.241 -21.173 1.00 62.01 C ATOM 0 H LEU A 61 -5.012 16.820 -19.553 1.00 14.51 H new ATOM 0 HA LEU A 61 -5.930 16.487 -22.239 1.00 62.22 H new ATOM 0 HB2 LEU A 61 -6.495 18.603 -20.133 1.00 42.41 H new ATOM 0 HB3 LEU A 61 -7.392 18.410 -21.626 1.00 42.41 H new ATOM 0 HG LEU A 61 -7.203 16.124 -19.676 1.00 10.50 H new ATOM 0 HD11 LEU A 61 -9.272 16.925 -18.608 1.00 25.41 H new ATOM 0 HD12 LEU A 61 -7.920 18.053 -18.354 1.00 25.41 H new ATOM 0 HD13 LEU A 61 -9.177 18.427 -19.557 1.00 25.41 H new ATOM 0 HD21 LEU A 61 -9.390 15.557 -20.657 1.00 62.01 H new ATOM 0 HD22 LEU A 61 -9.299 17.005 -21.688 1.00 62.01 H new ATOM 0 HD23 LEU A 61 -8.123 15.686 -21.900 1.00 62.01 H new ATOM 976 N GLY A 62 -3.784 18.837 -21.603 1.00 73.52 N ATOM 977 CA GLY A 62 -2.957 19.859 -22.218 1.00 52.01 C ATOM 978 C GLY A 62 -2.143 19.326 -23.380 1.00 71.33 C ATOM 979 O GLY A 62 -1.820 20.064 -24.309 1.00 15.21 O ATOM 0 H GLY A 62 -3.511 18.578 -20.655 1.00 73.52 H new ATOM 0 HA2 GLY A 62 -3.591 20.674 -22.567 1.00 52.01 H new ATOM 0 HA3 GLY A 62 -2.284 20.277 -21.469 1.00 52.01 H new ATOM 983 N GLN A 63 -1.810 18.039 -23.326 1.00 4.20 N ATOM 984 CA GLN A 63 -1.027 17.410 -24.383 1.00 74.10 C ATOM 985 C GLN A 63 -1.932 16.879 -25.489 1.00 4.21 C ATOM 986 O GLN A 63 -1.515 16.756 -26.642 1.00 34.10 O ATOM 987 CB GLN A 63 -0.182 16.271 -23.810 1.00 55.40 C ATOM 988 CG GLN A 63 1.269 16.656 -23.560 1.00 62.44 C ATOM 989 CD GLN A 63 2.144 15.459 -23.246 1.00 70.11 C ATOM 990 OE1 GLN A 63 2.155 14.473 -23.983 1.00 22.13 O ATOM 991 NE2 GLN A 63 2.883 15.538 -22.146 1.00 15.32 N ATOM 0 H GLN A 63 -2.070 17.414 -22.563 1.00 4.20 H new ATOM 0 HA GLN A 63 -0.367 18.165 -24.810 1.00 74.10 H new ATOM 0 HB2 GLN A 63 -0.627 15.935 -22.873 1.00 55.40 H new ATOM 0 HB3 GLN A 63 -0.212 15.426 -24.498 1.00 55.40 H new ATOM 0 HG2 GLN A 63 1.662 17.168 -24.439 1.00 62.44 H new ATOM 0 HG3 GLN A 63 1.316 17.363 -22.732 1.00 62.44 H new ATOM 0 HE21 GLN A 63 2.843 16.375 -21.564 1.00 15.32 H new ATOM 0 HE22 GLN A 63 3.491 14.762 -21.883 1.00 15.32 H new ATOM 1000 N LEU A 64 -3.173 16.566 -25.132 1.00 4.22 N ATOM 1001 CA LEU A 64 -4.138 16.047 -26.096 1.00 44.32 C ATOM 1002 C LEU A 64 -4.868 17.186 -26.801 1.00 70.22 C ATOM 1003 O LEU A 64 -5.342 17.029 -27.926 1.00 24.40 O ATOM 1004 CB LEU A 64 -5.147 15.136 -25.395 1.00 64.31 C ATOM 1005 CG LEU A 64 -4.633 13.758 -24.980 1.00 13.44 C ATOM 1006 CD1 LEU A 64 -5.588 13.106 -23.993 1.00 54.23 C ATOM 1007 CD2 LEU A 64 -4.439 12.871 -26.202 1.00 22.02 C ATOM 0 H LEU A 64 -3.535 16.662 -24.183 1.00 4.22 H new ATOM 0 HA LEU A 64 -3.595 15.470 -26.844 1.00 44.32 H new ATOM 0 HB2 LEU A 64 -5.512 15.649 -24.505 1.00 64.31 H new ATOM 0 HB3 LEU A 64 -6.002 14.998 -26.056 1.00 64.31 H new ATOM 0 HG LEU A 64 -3.668 13.885 -24.490 1.00 13.44 H new ATOM 0 HD11 LEU A 64 -5.205 12.126 -23.709 1.00 54.23 H new ATOM 0 HD12 LEU A 64 -5.677 13.732 -23.105 1.00 54.23 H new ATOM 0 HD13 LEU A 64 -6.568 12.992 -24.456 1.00 54.23 H new ATOM 0 HD21 LEU A 64 -4.073 11.894 -25.888 1.00 22.02 H new ATOM 0 HD22 LEU A 64 -5.391 12.752 -26.720 1.00 22.02 H new ATOM 0 HD23 LEU A 64 -3.715 13.331 -26.874 1.00 22.02 H new ATOM 1019 N GLN A 65 -4.951 18.333 -26.134 1.00 64.42 N ATOM 1020 CA GLN A 65 -5.622 19.498 -26.699 1.00 33.40 C ATOM 1021 C GLN A 65 -5.087 19.812 -28.092 1.00 73.01 C ATOM 1022 O GLN A 65 -5.814 19.781 -29.085 1.00 14.23 O ATOM 1023 CB GLN A 65 -5.440 20.710 -25.784 1.00 44.30 C ATOM 1024 CG GLN A 65 -6.683 21.058 -24.982 1.00 55.24 C ATOM 1025 CD GLN A 65 -6.821 22.548 -24.735 1.00 24.03 C ATOM 1026 OE1 GLN A 65 -6.916 22.994 -23.593 1.00 55.54 O ATOM 1027 NE2 GLN A 65 -6.833 23.326 -25.811 1.00 43.52 N ATOM 0 H GLN A 65 -4.562 18.480 -25.203 1.00 64.42 H new ATOM 0 HA GLN A 65 -6.685 19.270 -26.781 1.00 33.40 H new ATOM 0 HB2 GLN A 65 -4.617 20.516 -25.097 1.00 44.30 H new ATOM 0 HB3 GLN A 65 -5.154 21.571 -26.388 1.00 44.30 H new ATOM 0 HG2 GLN A 65 -7.565 20.698 -25.512 1.00 55.24 H new ATOM 0 HG3 GLN A 65 -6.651 20.537 -24.025 1.00 55.24 H new ATOM 0 HE21 GLN A 65 -6.751 22.913 -26.740 1.00 43.52 H new ATOM 0 HE22 GLN A 65 -6.924 24.337 -25.709 1.00 43.52 H new ATOM 1036 N PRO A 66 -3.784 20.122 -28.170 1.00 74.13 N ATOM 1037 CA PRO A 66 -3.122 20.448 -29.436 1.00 23.20 C ATOM 1038 C PRO A 66 -2.988 19.234 -30.349 1.00 34.31 C ATOM 1039 O PRO A 66 -2.744 19.370 -31.548 1.00 24.31 O ATOM 1040 CB PRO A 66 -1.741 20.942 -28.998 1.00 23.22 C ATOM 1041 CG PRO A 66 -1.506 20.291 -27.679 1.00 50.23 C ATOM 1042 CD PRO A 66 -2.856 20.179 -27.027 1.00 62.34 C ATOM 0 HA PRO A 66 -3.687 21.179 -30.015 1.00 23.20 H new ATOM 0 HB2 PRO A 66 -0.973 20.662 -29.720 1.00 23.22 H new ATOM 0 HB3 PRO A 66 -1.718 22.028 -28.913 1.00 23.22 H new ATOM 0 HG2 PRO A 66 -1.050 19.309 -27.804 1.00 50.23 H new ATOM 0 HG3 PRO A 66 -0.825 20.883 -27.067 1.00 50.23 H new ATOM 0 HD2 PRO A 66 -2.929 19.287 -26.405 1.00 62.34 H new ATOM 0 HD3 PRO A 66 -3.063 21.034 -26.383 1.00 62.34 H new ATOM 1050 N SER A 67 -3.148 18.046 -29.774 1.00 32.02 N ATOM 1051 CA SER A 67 -3.041 16.807 -30.536 1.00 2.41 C ATOM 1052 C SER A 67 -4.356 16.487 -31.239 1.00 32.22 C ATOM 1053 O SER A 67 -4.374 15.817 -32.272 1.00 33.14 O ATOM 1054 CB SER A 67 -2.647 15.650 -29.615 1.00 64.22 C ATOM 1055 OG SER A 67 -1.360 15.155 -29.942 1.00 72.43 O ATOM 0 H SER A 67 -3.352 17.915 -28.783 1.00 32.02 H new ATOM 0 HA SER A 67 -2.268 16.940 -31.292 1.00 2.41 H new ATOM 0 HB2 SER A 67 -2.658 15.986 -28.578 1.00 64.22 H new ATOM 0 HB3 SER A 67 -3.381 14.848 -29.698 1.00 64.22 H new ATOM 0 HG SER A 67 -1.130 14.418 -29.339 1.00 72.43 H new ATOM 1061 N LEU A 68 -5.456 16.971 -30.674 1.00 53.44 N ATOM 1062 CA LEU A 68 -6.777 16.738 -31.245 1.00 64.30 C ATOM 1063 C LEU A 68 -6.812 17.137 -32.717 1.00 52.11 C ATOM 1064 O LEU A 68 -7.509 16.518 -33.520 1.00 12.10 O ATOM 1065 CB LEU A 68 -7.837 17.521 -30.467 1.00 31.25 C ATOM 1066 CG LEU A 68 -8.262 16.923 -29.126 1.00 51.24 C ATOM 1067 CD1 LEU A 68 -8.689 18.022 -28.164 1.00 71.11 C ATOM 1068 CD2 LEU A 68 -9.387 15.918 -29.322 1.00 33.00 C ATOM 0 H LEU A 68 -5.459 17.528 -29.820 1.00 53.44 H new ATOM 0 HA LEU A 68 -6.995 15.673 -31.171 1.00 64.30 H new ATOM 0 HB2 LEU A 68 -7.459 18.528 -30.290 1.00 31.25 H new ATOM 0 HB3 LEU A 68 -8.722 17.619 -31.096 1.00 31.25 H new ATOM 0 HG LEU A 68 -7.407 16.401 -28.695 1.00 51.24 H new ATOM 0 HD11 LEU A 68 -8.988 17.578 -27.214 1.00 71.11 H new ATOM 0 HD12 LEU A 68 -7.856 18.705 -27.999 1.00 71.11 H new ATOM 0 HD13 LEU A 68 -9.529 18.571 -28.589 1.00 71.11 H new ATOM 0 HD21 LEU A 68 -9.676 15.503 -28.357 1.00 33.00 H new ATOM 0 HD22 LEU A 68 -10.245 16.416 -29.775 1.00 33.00 H new ATOM 0 HD23 LEU A 68 -9.047 15.114 -29.975 1.00 33.00 H new ATOM 1080 N GLN A 69 -6.054 18.172 -33.062 1.00 31.21 N ATOM 1081 CA GLN A 69 -5.998 18.652 -34.437 1.00 14.14 C ATOM 1082 C GLN A 69 -5.648 17.518 -35.395 1.00 21.31 C ATOM 1083 O GLN A 69 -6.249 17.384 -36.462 1.00 71.24 O ATOM 1084 CB GLN A 69 -4.970 19.778 -34.565 1.00 44.20 C ATOM 1085 CG GLN A 69 -4.994 20.473 -35.917 1.00 41.31 C ATOM 1086 CD GLN A 69 -3.605 20.795 -36.433 1.00 62.12 C ATOM 1087 OE1 GLN A 69 -3.049 20.062 -37.250 1.00 51.03 O ATOM 1088 NE2 GLN A 69 -3.038 21.897 -35.956 1.00 4.24 N ATOM 0 H GLN A 69 -5.470 18.694 -32.409 1.00 31.21 H new ATOM 0 HA GLN A 69 -6.983 19.037 -34.701 1.00 14.14 H new ATOM 0 HB2 GLN A 69 -5.152 20.516 -33.783 1.00 44.20 H new ATOM 0 HB3 GLN A 69 -3.974 19.371 -34.393 1.00 44.20 H new ATOM 0 HG2 GLN A 69 -5.507 19.838 -36.639 1.00 41.31 H new ATOM 0 HG3 GLN A 69 -5.570 21.395 -35.837 1.00 41.31 H new ATOM 0 HE21 GLN A 69 -3.536 22.475 -35.280 1.00 4.24 H new ATOM 0 HE22 GLN A 69 -2.104 22.165 -36.266 1.00 4.24 H new ATOM 1097 N THR A 70 -4.672 16.703 -35.010 1.00 41.14 N ATOM 1098 CA THR A 70 -4.241 15.581 -35.834 1.00 62.23 C ATOM 1099 C THR A 70 -4.254 14.280 -35.042 1.00 74.20 C ATOM 1100 O THR A 70 -3.317 13.484 -35.121 1.00 42.52 O ATOM 1101 CB THR A 70 -2.827 15.811 -36.401 1.00 65.31 C ATOM 1102 OG1 THR A 70 -2.615 17.207 -36.635 1.00 22.25 O ATOM 1103 CG2 THR A 70 -2.632 15.039 -37.697 1.00 34.22 C ATOM 0 H THR A 70 -4.164 16.799 -34.131 1.00 41.14 H new ATOM 0 HA THR A 70 -4.948 15.506 -36.660 1.00 62.23 H new ATOM 0 HB THR A 70 -2.103 15.451 -35.670 1.00 65.31 H new ATOM 0 HG1 THR A 70 -1.714 17.345 -36.994 1.00 22.25 H new ATOM 0 HG21 THR A 70 -1.627 15.217 -38.079 1.00 34.22 H new ATOM 0 HG22 THR A 70 -2.766 13.974 -37.510 1.00 34.22 H new ATOM 0 HG23 THR A 70 -3.364 15.373 -38.433 1.00 34.22 H new ATOM 1111 N GLY A 71 -5.321 14.067 -34.278 1.00 71.10 N ATOM 1112 CA GLY A 71 -5.434 12.858 -33.482 1.00 41.50 C ATOM 1113 C GLY A 71 -6.298 11.806 -34.146 1.00 65.45 C ATOM 1114 O GLY A 71 -7.097 12.115 -35.032 1.00 14.34 O ATOM 0 H GLY A 71 -6.109 14.710 -34.196 1.00 71.10 H new ATOM 0 HA2 GLY A 71 -4.439 12.448 -33.306 1.00 41.50 H new ATOM 0 HA3 GLY A 71 -5.854 13.106 -32.507 1.00 41.50 H new ATOM 1118 N SER A 72 -6.141 10.557 -33.720 1.00 21.35 N ATOM 1119 CA SER A 72 -6.910 9.453 -34.283 1.00 31.35 C ATOM 1120 C SER A 72 -7.987 8.988 -33.308 1.00 33.31 C ATOM 1121 O SER A 72 -8.227 9.624 -32.283 1.00 10.11 O ATOM 1122 CB SER A 72 -5.986 8.286 -34.635 1.00 2.34 C ATOM 1123 OG SER A 72 -5.732 7.477 -33.500 1.00 33.52 O ATOM 0 H SER A 72 -5.488 10.284 -32.986 1.00 21.35 H new ATOM 0 HA SER A 72 -7.396 9.808 -35.192 1.00 31.35 H new ATOM 0 HB2 SER A 72 -6.440 7.683 -35.421 1.00 2.34 H new ATOM 0 HB3 SER A 72 -5.045 8.669 -35.030 1.00 2.34 H new ATOM 0 HG SER A 72 -5.141 6.737 -33.751 1.00 33.52 H new ATOM 1129 N GLU A 73 -8.633 7.873 -33.637 1.00 30.43 N ATOM 1130 CA GLU A 73 -9.685 7.323 -32.791 1.00 72.41 C ATOM 1131 C GLU A 73 -9.200 7.167 -31.353 1.00 42.35 C ATOM 1132 O GLU A 73 -9.898 7.537 -30.409 1.00 74.33 O ATOM 1133 CB GLU A 73 -10.151 5.970 -33.333 1.00 34.13 C ATOM 1134 CG GLU A 73 -11.597 5.647 -33.003 1.00 61.43 C ATOM 1135 CD GLU A 73 -12.560 6.124 -34.073 1.00 24.32 C ATOM 1136 OE1 GLU A 73 -12.436 5.669 -35.230 1.00 14.53 O1- ATOM 1137 OE2 GLU A 73 -13.439 6.952 -33.754 1.00 20.00 O ATOM 0 H GLU A 73 -8.446 7.334 -34.482 1.00 30.43 H new ATOM 0 HA GLU A 73 -10.524 8.018 -32.800 1.00 72.41 H new ATOM 0 HB2 GLU A 73 -10.023 5.958 -34.415 1.00 34.13 H new ATOM 0 HB3 GLU A 73 -9.511 5.186 -32.928 1.00 34.13 H new ATOM 0 HG2 GLU A 73 -11.705 4.570 -32.876 1.00 61.43 H new ATOM 0 HG3 GLU A 73 -11.860 6.108 -32.051 1.00 61.43 H new ATOM 1144 N GLU A 74 -8.000 6.616 -31.194 1.00 1.41 N ATOM 1145 CA GLU A 74 -7.423 6.412 -29.871 1.00 34.51 C ATOM 1146 C GLU A 74 -7.305 7.733 -29.118 1.00 70.23 C ATOM 1147 O GLU A 74 -7.696 7.834 -27.954 1.00 51.01 O ATOM 1148 CB GLU A 74 -6.046 5.753 -29.987 1.00 63.13 C ATOM 1149 CG GLU A 74 -6.000 4.337 -29.439 1.00 64.14 C ATOM 1150 CD GLU A 74 -7.053 3.437 -30.057 1.00 20.35 C ATOM 1151 OE1 GLU A 74 -7.417 3.670 -31.230 1.00 3.20 O ATOM 1152 OE2 GLU A 74 -7.514 2.502 -29.371 1.00 53.24 O1- ATOM 0 H GLU A 74 -7.410 6.303 -31.965 1.00 1.41 H new ATOM 0 HA GLU A 74 -8.087 5.754 -29.311 1.00 34.51 H new ATOM 0 HB2 GLU A 74 -5.747 5.738 -31.035 1.00 63.13 H new ATOM 0 HB3 GLU A 74 -5.315 6.363 -29.456 1.00 63.13 H new ATOM 0 HG2 GLU A 74 -5.013 3.913 -29.621 1.00 64.14 H new ATOM 0 HG3 GLU A 74 -6.140 4.365 -28.358 1.00 64.14 H new ATOM 1159 N LEU A 75 -6.764 8.743 -29.788 1.00 12.35 N ATOM 1160 CA LEU A 75 -6.593 10.060 -29.183 1.00 60.40 C ATOM 1161 C LEU A 75 -7.932 10.621 -28.717 1.00 44.34 C ATOM 1162 O LEU A 75 -8.103 10.952 -27.543 1.00 13.22 O ATOM 1163 CB LEU A 75 -5.943 11.020 -30.180 1.00 4.22 C ATOM 1164 CG LEU A 75 -4.959 12.033 -29.593 1.00 75.24 C ATOM 1165 CD1 LEU A 75 -3.638 11.990 -30.344 1.00 14.10 C ATOM 1166 CD2 LEU A 75 -5.551 13.435 -29.629 1.00 33.13 C ATOM 0 H LEU A 75 -6.436 8.676 -30.751 1.00 12.35 H new ATOM 0 HA LEU A 75 -5.942 9.954 -28.315 1.00 60.40 H new ATOM 0 HB2 LEU A 75 -5.420 10.431 -30.933 1.00 4.22 H new ATOM 0 HB3 LEU A 75 -6.733 11.567 -30.695 1.00 4.22 H new ATOM 0 HG LEU A 75 -4.771 11.767 -28.553 1.00 75.24 H new ATOM 0 HD11 LEU A 75 -2.950 12.717 -29.913 1.00 14.10 H new ATOM 0 HD12 LEU A 75 -3.207 10.992 -30.265 1.00 14.10 H new ATOM 0 HD13 LEU A 75 -3.808 12.230 -31.394 1.00 14.10 H new ATOM 0 HD21 LEU A 75 -4.837 14.142 -29.207 1.00 33.13 H new ATOM 0 HD22 LEU A 75 -5.770 13.711 -30.661 1.00 33.13 H new ATOM 0 HD23 LEU A 75 -6.471 13.457 -29.045 1.00 33.13 H new ATOM 1178 N ARG A 76 -8.880 10.725 -29.642 1.00 11.44 N ATOM 1179 CA ARG A 76 -10.205 11.247 -29.325 1.00 15.44 C ATOM 1180 C ARG A 76 -10.808 10.509 -28.134 1.00 54.23 C ATOM 1181 O ARG A 76 -11.323 11.129 -27.203 1.00 20.24 O ATOM 1182 CB ARG A 76 -11.128 11.121 -30.538 1.00 21.32 C ATOM 1183 CG ARG A 76 -12.013 12.338 -30.758 1.00 75.32 C ATOM 1184 CD ARG A 76 -13.140 12.038 -31.733 1.00 52.13 C ATOM 1185 NE ARG A 76 -12.784 12.385 -33.106 1.00 75.54 N ATOM 1186 CZ ARG A 76 -12.691 13.634 -33.548 1.00 72.24 C ATOM 1187 NH1 ARG A 76 -12.926 14.649 -32.729 1.00 44.14 N1+ ATOM 1188 NH2 ARG A 76 -12.361 13.869 -34.811 1.00 63.22 N ATOM 0 H ARG A 76 -8.756 10.455 -30.618 1.00 11.44 H new ATOM 0 HA ARG A 76 -10.102 12.300 -29.063 1.00 15.44 H new ATOM 0 HB2 ARG A 76 -10.523 10.956 -31.429 1.00 21.32 H new ATOM 0 HB3 ARG A 76 -11.759 10.241 -30.414 1.00 21.32 H new ATOM 0 HG2 ARG A 76 -12.431 12.662 -29.805 1.00 75.32 H new ATOM 0 HG3 ARG A 76 -11.411 13.163 -31.139 1.00 75.32 H new ATOM 0 HD2 ARG A 76 -13.392 10.979 -31.681 1.00 52.13 H new ATOM 0 HD3 ARG A 76 -14.031 12.593 -31.439 1.00 52.13 H new ATOM 0 HE ARG A 76 -12.596 11.626 -33.762 1.00 75.54 H new ATOM 0 HH11 ARG A 76 -13.179 14.472 -31.757 1.00 44.14 H new ATOM 0 HH12 ARG A 76 -12.854 15.607 -33.071 1.00 44.14 H new ATOM 0 HH21 ARG A 76 -12.178 13.090 -35.444 1.00 63.22 H new ATOM 0 HH22 ARG A 76 -12.290 14.829 -35.149 1.00 63.22 H new ATOM 1202 N SER A 77 -10.740 9.182 -28.170 1.00 4.31 N ATOM 1203 CA SER A 77 -11.283 8.360 -27.095 1.00 63.44 C ATOM 1204 C SER A 77 -10.740 8.806 -25.741 1.00 31.31 C ATOM 1205 O SER A 77 -11.478 8.887 -24.758 1.00 11.44 O ATOM 1206 CB SER A 77 -10.948 6.886 -27.333 1.00 53.03 C ATOM 1207 OG SER A 77 -11.874 6.288 -28.222 1.00 42.35 O ATOM 0 H SER A 77 -10.314 8.653 -28.932 1.00 4.31 H new ATOM 0 HA SER A 77 -12.366 8.483 -27.089 1.00 63.44 H new ATOM 0 HB2 SER A 77 -9.941 6.800 -27.741 1.00 53.03 H new ATOM 0 HB3 SER A 77 -10.954 6.351 -26.383 1.00 53.03 H new ATOM 0 HG SER A 77 -11.589 6.447 -29.146 1.00 42.35 H new ATOM 1213 N LEU A 78 -9.444 9.094 -25.698 1.00 13.11 N ATOM 1214 CA LEU A 78 -8.798 9.533 -24.465 1.00 21.41 C ATOM 1215 C LEU A 78 -9.363 10.871 -24.001 1.00 4.43 C ATOM 1216 O LEU A 78 -9.877 10.987 -22.888 1.00 43.41 O ATOM 1217 CB LEU A 78 -7.287 9.648 -24.671 1.00 71.53 C ATOM 1218 CG LEU A 78 -6.440 8.525 -24.068 1.00 43.02 C ATOM 1219 CD1 LEU A 78 -6.680 8.422 -22.570 1.00 41.34 C ATOM 1220 CD2 LEU A 78 -6.747 7.201 -24.752 1.00 33.01 C ATOM 0 H LEU A 78 -8.820 9.032 -26.502 1.00 13.11 H new ATOM 0 HA LEU A 78 -8.998 8.789 -23.694 1.00 21.41 H new ATOM 0 HB2 LEU A 78 -7.089 9.691 -25.742 1.00 71.53 H new ATOM 0 HB3 LEU A 78 -6.954 10.595 -24.247 1.00 71.53 H new ATOM 0 HG LEU A 78 -5.388 8.760 -24.231 1.00 43.02 H new ATOM 0 HD11 LEU A 78 -6.070 7.618 -22.158 1.00 41.34 H new ATOM 0 HD12 LEU A 78 -6.410 9.364 -22.093 1.00 41.34 H new ATOM 0 HD13 LEU A 78 -7.733 8.210 -22.384 1.00 41.34 H new ATOM 0 HD21 LEU A 78 -6.136 6.413 -24.311 1.00 33.01 H new ATOM 0 HD22 LEU A 78 -7.802 6.959 -24.620 1.00 33.01 H new ATOM 0 HD23 LEU A 78 -6.524 7.281 -25.816 1.00 33.01 H new ATOM 1232 N TYR A 79 -9.266 11.878 -24.862 1.00 40.25 N ATOM 1233 CA TYR A 79 -9.767 13.210 -24.540 1.00 60.20 C ATOM 1234 C TYR A 79 -11.238 13.156 -24.138 1.00 35.22 C ATOM 1235 O TYR A 79 -11.720 14.006 -23.390 1.00 34.11 O ATOM 1236 CB TYR A 79 -9.589 14.147 -25.735 1.00 11.15 C ATOM 1237 CG TYR A 79 -9.539 15.610 -25.356 1.00 70.11 C ATOM 1238 CD1 TYR A 79 -8.417 16.150 -24.739 1.00 2.13 C ATOM 1239 CD2 TYR A 79 -10.614 16.451 -25.612 1.00 4.30 C ATOM 1240 CE1 TYR A 79 -8.367 17.486 -24.390 1.00 60.22 C ATOM 1241 CE2 TYR A 79 -10.573 17.789 -25.267 1.00 64.34 C ATOM 1242 CZ TYR A 79 -9.448 18.301 -24.656 1.00 31.03 C ATOM 1243 OH TYR A 79 -9.403 19.632 -24.310 1.00 31.24 O ATOM 0 H TYR A 79 -8.845 11.798 -25.788 1.00 40.25 H new ATOM 0 HA TYR A 79 -9.192 13.593 -23.697 1.00 60.20 H new ATOM 0 HB2 TYR A 79 -8.669 13.884 -26.258 1.00 11.15 H new ATOM 0 HB3 TYR A 79 -10.410 13.990 -26.435 1.00 11.15 H new ATOM 0 HD1 TYR A 79 -7.570 15.514 -24.529 1.00 2.13 H new ATOM 0 HD2 TYR A 79 -11.497 16.053 -26.089 1.00 4.30 H new ATOM 0 HE1 TYR A 79 -7.487 17.890 -23.912 1.00 60.22 H new ATOM 0 HE2 TYR A 79 -11.417 18.430 -25.475 1.00 64.34 H new ATOM 0 HH TYR A 79 -10.243 20.065 -24.567 1.00 31.24 H new ATOM 1253 N ASN A 80 -11.946 12.149 -24.639 1.00 30.41 N ATOM 1254 CA ASN A 80 -13.362 11.981 -24.333 1.00 10.41 C ATOM 1255 C ASN A 80 -13.556 11.541 -22.885 1.00 21.20 C ATOM 1256 O ASN A 80 -14.459 12.016 -22.195 1.00 63.21 O ATOM 1257 CB ASN A 80 -13.993 10.958 -25.278 1.00 21.24 C ATOM 1258 CG ASN A 80 -15.315 10.428 -24.758 1.00 2.35 C ATOM 1259 OD1 ASN A 80 -16.303 11.160 -24.685 1.00 71.22 O ATOM 1260 ND2 ASN A 80 -15.340 9.152 -24.395 1.00 33.21 N ATOM 0 H ASN A 80 -11.562 11.436 -25.259 1.00 30.41 H new ATOM 0 HA ASN A 80 -13.855 12.943 -24.471 1.00 10.41 H new ATOM 0 HB2 ASN A 80 -14.148 11.417 -26.255 1.00 21.24 H new ATOM 0 HB3 ASN A 80 -13.303 10.127 -25.422 1.00 21.24 H new ATOM 0 HD21 ASN A 80 -16.202 8.740 -24.038 1.00 33.21 H new ATOM 0 HD22 ASN A 80 -14.497 8.583 -24.473 1.00 33.21 H new ATOM 1267 N THR A 81 -12.703 10.630 -22.429 1.00 15.13 N ATOM 1268 CA THR A 81 -12.780 10.124 -21.065 1.00 55.21 C ATOM 1269 C THR A 81 -12.116 11.084 -20.084 1.00 74.21 C ATOM 1270 O THR A 81 -12.726 11.502 -19.100 1.00 40.10 O ATOM 1271 CB THR A 81 -12.117 8.739 -20.940 1.00 34.03 C ATOM 1272 OG1 THR A 81 -12.679 7.838 -21.900 1.00 44.44 O ATOM 1273 CG2 THR A 81 -12.300 8.175 -19.539 1.00 23.24 C ATOM 0 H THR A 81 -11.949 10.227 -22.986 1.00 15.13 H new ATOM 0 HA THR A 81 -13.839 10.034 -20.821 1.00 55.21 H new ATOM 0 HB THR A 81 -11.050 8.853 -21.131 1.00 34.03 H new ATOM 0 HG1 THR A 81 -12.383 8.091 -22.799 1.00 44.44 H new ATOM 0 HG21 THR A 81 -11.823 7.197 -19.475 1.00 23.24 H new ATOM 0 HG22 THR A 81 -11.844 8.849 -18.813 1.00 23.24 H new ATOM 0 HG23 THR A 81 -13.364 8.075 -19.323 1.00 23.24 H new ATOM 1281 N ILE A 82 -10.862 11.428 -20.359 1.00 13.14 N ATOM 1282 CA ILE A 82 -10.116 12.340 -19.502 1.00 53.33 C ATOM 1283 C ILE A 82 -10.901 13.622 -19.247 1.00 42.41 C ATOM 1284 O ILE A 82 -10.762 14.249 -18.197 1.00 64.34 O ATOM 1285 CB ILE A 82 -8.751 12.702 -20.116 1.00 33.34 C ATOM 1286 CG1 ILE A 82 -7.923 11.437 -20.352 1.00 32.33 C ATOM 1287 CG2 ILE A 82 -8.002 13.670 -19.212 1.00 64.21 C ATOM 1288 CD1 ILE A 82 -6.787 11.632 -21.331 1.00 2.14 C ATOM 0 H ILE A 82 -10.342 11.089 -21.168 1.00 13.14 H new ATOM 0 HA ILE A 82 -9.954 11.821 -18.557 1.00 53.33 H new ATOM 0 HB ILE A 82 -8.919 13.189 -21.076 1.00 33.34 H new ATOM 0 HG12 ILE A 82 -7.517 11.096 -19.400 1.00 32.33 H new ATOM 0 HG13 ILE A 82 -8.578 10.647 -20.721 1.00 32.33 H new ATOM 0 HG21 ILE A 82 -7.039 13.916 -19.660 1.00 64.21 H new ATOM 0 HG22 ILE A 82 -8.588 14.581 -19.089 1.00 64.21 H new ATOM 0 HG23 ILE A 82 -7.841 13.208 -18.238 1.00 64.21 H new ATOM 0 HD11 ILE A 82 -6.244 10.694 -21.449 1.00 2.14 H new ATOM 0 HD12 ILE A 82 -7.187 11.944 -22.296 1.00 2.14 H new ATOM 0 HD13 ILE A 82 -6.110 12.399 -20.955 1.00 2.14 H new ATOM 1300 N ALA A 83 -11.727 14.005 -20.215 1.00 40.33 N ATOM 1301 CA ALA A 83 -12.539 15.211 -20.095 1.00 12.31 C ATOM 1302 C ALA A 83 -13.582 15.062 -18.993 1.00 4.20 C ATOM 1303 O ALA A 83 -13.730 15.940 -18.141 1.00 23.24 O ATOM 1304 CB ALA A 83 -13.210 15.529 -21.422 1.00 60.33 C ATOM 0 H ALA A 83 -11.852 13.498 -21.091 1.00 40.33 H new ATOM 0 HA ALA A 83 -11.881 16.038 -19.827 1.00 12.31 H new ATOM 0 HB1 ALA A 83 -13.813 16.431 -21.318 1.00 60.33 H new ATOM 0 HB2 ALA A 83 -12.449 15.687 -22.186 1.00 60.33 H new ATOM 0 HB3 ALA A 83 -13.850 14.697 -21.715 1.00 60.33 H new ATOM 1310 N VAL A 84 -14.304 13.946 -19.014 1.00 43.51 N ATOM 1311 CA VAL A 84 -15.334 13.683 -18.017 1.00 45.21 C ATOM 1312 C VAL A 84 -14.718 13.404 -16.651 1.00 33.41 C ATOM 1313 O VAL A 84 -15.229 13.850 -15.623 1.00 31.22 O ATOM 1314 CB VAL A 84 -16.217 12.488 -18.423 1.00 2.00 C ATOM 1315 CG1 VAL A 84 -17.265 12.211 -17.356 1.00 33.13 C ATOM 1316 CG2 VAL A 84 -16.873 12.746 -19.772 1.00 73.11 C ATOM 0 H VAL A 84 -14.194 13.210 -19.711 1.00 43.51 H new ATOM 0 HA VAL A 84 -15.953 14.579 -17.958 1.00 45.21 H new ATOM 0 HB VAL A 84 -15.584 11.605 -18.514 1.00 2.00 H new ATOM 0 HG11 VAL A 84 -17.879 11.364 -17.661 1.00 33.13 H new ATOM 0 HG12 VAL A 84 -16.771 11.981 -16.412 1.00 33.13 H new ATOM 0 HG13 VAL A 84 -17.897 13.090 -17.230 1.00 33.13 H new ATOM 0 HG21 VAL A 84 -17.493 11.892 -20.044 1.00 73.11 H new ATOM 0 HG22 VAL A 84 -17.493 13.640 -19.710 1.00 73.11 H new ATOM 0 HG23 VAL A 84 -16.103 12.891 -20.529 1.00 73.11 H new ATOM 1326 N LEU A 85 -13.615 12.662 -16.646 1.00 31.43 N ATOM 1327 CA LEU A 85 -12.927 12.322 -15.406 1.00 12.33 C ATOM 1328 C LEU A 85 -12.409 13.576 -14.709 1.00 34.04 C ATOM 1329 O LEU A 85 -12.591 13.750 -13.504 1.00 33.35 O ATOM 1330 CB LEU A 85 -11.767 11.365 -15.689 1.00 4.41 C ATOM 1331 CG LEU A 85 -11.372 10.433 -14.544 1.00 75.24 C ATOM 1332 CD1 LEU A 85 -12.471 9.415 -14.281 1.00 51.14 C ATOM 1333 CD2 LEU A 85 -10.057 9.732 -14.856 1.00 55.14 C ATOM 0 H LEU A 85 -13.179 12.285 -17.487 1.00 31.43 H new ATOM 0 HA LEU A 85 -13.642 11.831 -14.746 1.00 12.33 H new ATOM 0 HB2 LEU A 85 -12.028 10.755 -16.554 1.00 4.41 H new ATOM 0 HB3 LEU A 85 -10.894 11.956 -15.967 1.00 4.41 H new ATOM 0 HG LEU A 85 -11.237 11.032 -13.644 1.00 75.24 H new ATOM 0 HD11 LEU A 85 -12.172 8.760 -13.463 1.00 51.14 H new ATOM 0 HD12 LEU A 85 -13.391 9.934 -14.013 1.00 51.14 H new ATOM 0 HD13 LEU A 85 -12.639 8.820 -15.179 1.00 51.14 H new ATOM 0 HD21 LEU A 85 -9.791 9.073 -14.030 1.00 55.14 H new ATOM 0 HD22 LEU A 85 -10.165 9.145 -15.768 1.00 55.14 H new ATOM 0 HD23 LEU A 85 -9.272 10.476 -14.994 1.00 55.14 H new ATOM 1345 N TYR A 86 -11.764 14.449 -15.476 1.00 0.11 N ATOM 1346 CA TYR A 86 -11.219 15.687 -14.933 1.00 3.01 C ATOM 1347 C TYR A 86 -12.306 16.502 -14.239 1.00 55.03 C ATOM 1348 O TYR A 86 -12.160 16.891 -13.079 1.00 72.21 O ATOM 1349 CB TYR A 86 -10.577 16.517 -16.046 1.00 13.30 C ATOM 1350 CG TYR A 86 -10.169 17.906 -15.607 1.00 50.04 C ATOM 1351 CD1 TYR A 86 -9.182 18.091 -14.647 1.00 21.15 C ATOM 1352 CD2 TYR A 86 -10.772 19.033 -16.153 1.00 63.22 C ATOM 1353 CE1 TYR A 86 -8.808 19.358 -14.243 1.00 0.34 C ATOM 1354 CE2 TYR A 86 -10.403 20.303 -15.756 1.00 41.35 C ATOM 1355 CZ TYR A 86 -9.421 20.461 -14.800 1.00 33.31 C ATOM 1356 OH TYR A 86 -9.050 21.724 -14.401 1.00 12.34 O ATOM 0 H TYR A 86 -11.606 14.322 -16.476 1.00 0.11 H new ATOM 0 HA TYR A 86 -10.458 15.427 -14.197 1.00 3.01 H new ATOM 0 HB2 TYR A 86 -9.699 15.991 -16.420 1.00 13.30 H new ATOM 0 HB3 TYR A 86 -11.278 16.599 -16.877 1.00 13.30 H new ATOM 0 HD1 TYR A 86 -8.699 17.230 -14.209 1.00 21.15 H new ATOM 0 HD2 TYR A 86 -11.542 18.913 -16.900 1.00 63.22 H new ATOM 0 HE1 TYR A 86 -8.039 19.484 -13.495 1.00 0.34 H new ATOM 0 HE2 TYR A 86 -10.881 21.168 -16.192 1.00 41.35 H new ATOM 0 HH TYR A 86 -9.577 22.390 -14.891 1.00 12.34 H new ATOM 1366 N CYS A 87 -13.395 16.756 -14.956 1.00 71.14 N ATOM 1367 CA CYS A 87 -14.508 17.525 -14.410 1.00 54.21 C ATOM 1368 C CYS A 87 -14.959 16.951 -13.070 1.00 4.10 C ATOM 1369 O CYS A 87 -15.307 17.693 -12.150 1.00 21.24 O ATOM 1370 CB CYS A 87 -15.678 17.537 -15.394 1.00 62.33 C ATOM 1371 SG CYS A 87 -15.634 18.903 -16.577 1.00 42.51 S ATOM 0 H CYS A 87 -13.531 16.441 -15.916 1.00 71.14 H new ATOM 0 HA CYS A 87 -14.168 18.548 -14.250 1.00 54.21 H new ATOM 0 HB2 CYS A 87 -15.687 16.595 -15.943 1.00 62.33 H new ATOM 0 HB3 CYS A 87 -16.611 17.587 -14.832 1.00 62.33 H new ATOM 0 HG CYS A 87 -16.836 19.366 -16.750 1.00 42.51 H new ATOM 1377 N VAL A 88 -14.953 15.626 -12.967 1.00 33.12 N ATOM 1378 CA VAL A 88 -15.363 14.952 -11.741 1.00 2.34 C ATOM 1379 C VAL A 88 -14.454 15.330 -10.577 1.00 21.11 C ATOM 1380 O VAL A 88 -14.910 15.486 -9.444 1.00 44.33 O ATOM 1381 CB VAL A 88 -15.351 13.422 -11.911 1.00 73.42 C ATOM 1382 CG1 VAL A 88 -15.754 12.737 -10.613 1.00 12.54 C ATOM 1383 CG2 VAL A 88 -16.270 13.005 -13.050 1.00 3.52 C ATOM 0 H VAL A 88 -14.668 14.998 -13.718 1.00 33.12 H new ATOM 0 HA VAL A 88 -16.380 15.278 -11.525 1.00 2.34 H new ATOM 0 HB VAL A 88 -14.337 13.110 -12.160 1.00 73.42 H new ATOM 0 HG11 VAL A 88 -15.740 11.656 -10.752 1.00 12.54 H new ATOM 0 HG12 VAL A 88 -15.053 13.010 -9.824 1.00 12.54 H new ATOM 0 HG13 VAL A 88 -16.758 13.053 -10.331 1.00 12.54 H new ATOM 0 HG21 VAL A 88 -16.249 11.920 -13.156 1.00 3.52 H new ATOM 0 HG22 VAL A 88 -17.288 13.329 -12.833 1.00 3.52 H new ATOM 0 HG23 VAL A 88 -15.932 13.467 -13.978 1.00 3.52 H new ATOM 1393 N HIS A 89 -13.164 15.476 -10.863 1.00 72.33 N ATOM 1394 CA HIS A 89 -12.188 15.837 -9.839 1.00 25.14 C ATOM 1395 C HIS A 89 -12.157 17.348 -9.630 1.00 2.41 C ATOM 1396 O HIS A 89 -11.581 17.768 -8.627 1.00 73.21 O ATOM 1397 CB HIS A 89 -10.798 15.336 -10.231 1.00 53.33 C ATOM 1398 CG HIS A 89 -10.732 13.855 -10.439 1.00 32.10 C ATOM 1399 ND1 HIS A 89 -11.561 12.965 -9.789 1.00 41.12 N ATOM 1400 CD2 HIS A 89 -9.930 13.107 -11.233 1.00 41.02 C ATOM 1401 CE1 HIS A 89 -11.271 11.735 -10.173 1.00 64.11 C ATOM 1402 NE2 HIS A 89 -10.285 11.794 -11.050 1.00 72.01 N ATOM 0 H HIS A 89 -12.770 15.350 -11.795 1.00 72.33 H new ATOM 0 HA HIS A 89 -12.486 15.364 -8.903 1.00 25.14 H new ATOM 0 HB2 HIS A 89 -10.485 15.837 -11.147 1.00 53.33 H new ATOM 0 HB3 HIS A 89 -10.087 15.618 -9.454 1.00 53.33 H new ATOM 0 HD1 HIS A 89 -12.285 13.217 -9.117 1.00 41.12 H new ATOM 0 HD2 HIS A 89 -9.155 13.475 -11.889 1.00 41.02 H new ATOM 0 HE1 HIS A 89 -11.757 10.834 -9.829 1.00 64.11 H new ATOM 0 HE2 HIS A 89 -9.857 10.994 -11.516 1.00 72.01 H new ATOM 1411 N GLN A 90 -12.740 18.149 -10.518 1.00 33.41 N ATOM 1412 CA GLN A 90 -12.734 19.597 -10.360 1.00 12.41 C ATOM 1413 C GLN A 90 -14.061 20.088 -9.790 1.00 12.35 C ATOM 1414 O GLN A 90 -14.456 21.233 -10.011 1.00 34.21 O ATOM 1415 CB GLN A 90 -12.458 20.278 -11.702 1.00 31.31 C ATOM 1416 CG GLN A 90 -11.256 21.208 -11.678 1.00 61.14 C ATOM 1417 CD GLN A 90 -11.606 22.601 -11.192 1.00 73.32 C ATOM 1418 OE1 GLN A 90 -12.697 23.108 -11.457 1.00 53.02 O ATOM 1419 NE2 GLN A 90 -10.681 23.227 -10.474 1.00 33.15 N ATOM 0 H GLN A 90 -13.222 17.818 -11.354 1.00 33.41 H new ATOM 0 HA GLN A 90 -11.940 19.857 -9.660 1.00 12.41 H new ATOM 0 HB2 GLN A 90 -12.300 19.513 -12.462 1.00 31.31 H new ATOM 0 HB3 GLN A 90 -13.340 20.845 -12.000 1.00 31.31 H new ATOM 0 HG2 GLN A 90 -10.487 20.785 -11.032 1.00 61.14 H new ATOM 0 HG3 GLN A 90 -10.831 21.273 -12.680 1.00 61.14 H new ATOM 0 HE21 GLN A 90 -9.791 22.769 -10.278 1.00 33.15 H new ATOM 0 HE22 GLN A 90 -10.861 24.166 -10.118 1.00 33.15 H new ATOM 1428 N ARG A 91 -14.743 19.215 -9.058 1.00 63.45 N ATOM 1429 CA ARG A 91 -16.028 19.559 -8.459 1.00 74.05 C ATOM 1430 C ARG A 91 -17.031 19.979 -9.528 1.00 43.22 C ATOM 1431 O ARG A 91 -17.853 20.870 -9.305 1.00 33.33 O ATOM 1432 CB ARG A 91 -15.852 20.684 -7.437 1.00 2.40 C ATOM 1433 CG ARG A 91 -16.824 20.607 -6.272 1.00 62.32 C ATOM 1434 CD ARG A 91 -16.583 19.366 -5.427 1.00 0.13 C ATOM 1435 NE ARG A 91 -17.703 18.431 -5.494 1.00 20.14 N ATOM 1436 CZ ARG A 91 -17.792 17.334 -4.750 1.00 50.50 C ATOM 1437 NH1 ARG A 91 -16.832 17.038 -3.885 1.00 54.21 N1+ ATOM 1438 NH2 ARG A 91 -18.843 16.533 -4.868 1.00 34.15 N ATOM 0 H ARG A 91 -14.428 18.264 -8.865 1.00 63.45 H new ATOM 0 HA ARG A 91 -16.414 18.674 -7.952 1.00 74.05 H new ATOM 0 HB2 ARG A 91 -14.833 20.656 -7.051 1.00 2.40 H new ATOM 0 HB3 ARG A 91 -15.977 21.643 -7.940 1.00 2.40 H new ATOM 0 HG2 ARG A 91 -16.721 21.497 -5.651 1.00 62.32 H new ATOM 0 HG3 ARG A 91 -17.846 20.599 -6.650 1.00 62.32 H new ATOM 0 HD2 ARG A 91 -15.675 18.868 -5.766 1.00 0.13 H new ATOM 0 HD3 ARG A 91 -16.418 19.660 -4.390 1.00 0.13 H new ATOM 0 HE ARG A 91 -18.459 18.631 -6.149 1.00 20.14 H new ATOM 0 HH11 ARG A 91 -16.024 17.653 -3.790 1.00 54.21 H new ATOM 0 HH12 ARG A 91 -16.902 16.195 -3.314 1.00 54.21 H new ATOM 0 HH21 ARG A 91 -19.585 16.759 -5.531 1.00 34.15 H new ATOM 0 HH22 ARG A 91 -18.909 15.691 -4.296 1.00 34.15 H new ATOM 1452 N ILE A 92 -16.959 19.334 -10.687 1.00 71.11 N ATOM 1453 CA ILE A 92 -17.861 19.642 -11.789 1.00 34.51 C ATOM 1454 C ILE A 92 -18.811 18.479 -12.062 1.00 10.52 C ATOM 1455 O ILE A 92 -18.389 17.326 -12.142 1.00 61.21 O ATOM 1456 CB ILE A 92 -17.084 19.968 -13.079 1.00 41.41 C ATOM 1457 CG1 ILE A 92 -15.984 20.991 -12.791 1.00 1.35 C ATOM 1458 CG2 ILE A 92 -18.031 20.488 -14.150 1.00 10.14 C ATOM 1459 CD1 ILE A 92 -15.162 21.354 -14.008 1.00 73.52 C ATOM 0 H ILE A 92 -16.285 18.595 -10.887 1.00 71.11 H new ATOM 0 HA ILE A 92 -18.437 20.518 -11.490 1.00 34.51 H new ATOM 0 HB ILE A 92 -16.618 19.054 -13.447 1.00 41.41 H new ATOM 0 HG12 ILE A 92 -16.438 21.896 -12.386 1.00 1.35 H new ATOM 0 HG13 ILE A 92 -15.322 20.594 -12.021 1.00 1.35 H new ATOM 0 HG21 ILE A 92 -17.468 20.714 -15.055 1.00 10.14 H new ATOM 0 HG22 ILE A 92 -18.783 19.730 -14.370 1.00 10.14 H new ATOM 0 HG23 ILE A 92 -18.522 21.393 -13.793 1.00 10.14 H new ATOM 0 HD11 ILE A 92 -14.402 22.084 -13.729 1.00 73.52 H new ATOM 0 HD12 ILE A 92 -14.679 20.459 -14.401 1.00 73.52 H new ATOM 0 HD13 ILE A 92 -15.812 21.781 -14.772 1.00 73.52 H new ATOM 1471 N ASP A 93 -20.094 18.793 -12.206 1.00 31.31 N ATOM 1472 CA ASP A 93 -21.104 17.775 -12.474 1.00 0.11 C ATOM 1473 C ASP A 93 -21.726 17.977 -13.852 1.00 1.01 C ATOM 1474 O ASP A 93 -22.262 19.044 -14.153 1.00 33.03 O ATOM 1475 CB ASP A 93 -22.191 17.811 -11.399 1.00 41.54 C ATOM 1476 CG ASP A 93 -22.940 16.497 -11.289 1.00 13.31 C ATOM 1477 OD1 ASP A 93 -22.757 15.634 -12.172 1.00 25.14 O ATOM 1478 OD2 ASP A 93 -23.707 16.333 -10.318 1.00 35.51 O1- ATOM 0 H ASP A 93 -20.459 19.743 -12.142 1.00 31.31 H new ATOM 0 HA ASP A 93 -20.617 16.800 -12.455 1.00 0.11 H new ATOM 0 HB2 ASP A 93 -21.738 18.050 -10.437 1.00 41.54 H new ATOM 0 HB3 ASP A 93 -22.897 18.610 -11.626 1.00 41.54 H new ATOM 1483 N VAL A 94 -21.652 16.945 -14.686 1.00 51.01 N ATOM 1484 CA VAL A 94 -22.209 17.008 -16.032 1.00 14.05 C ATOM 1485 C VAL A 94 -23.085 15.795 -16.322 1.00 63.33 C ATOM 1486 O VAL A 94 -23.189 14.880 -15.504 1.00 4.23 O ATOM 1487 CB VAL A 94 -21.096 17.089 -17.095 1.00 63.43 C ATOM 1488 CG1 VAL A 94 -20.218 18.307 -16.858 1.00 42.32 C ATOM 1489 CG2 VAL A 94 -20.266 15.814 -17.095 1.00 13.11 C ATOM 0 H VAL A 94 -21.212 16.055 -14.453 1.00 51.01 H new ATOM 0 HA VAL A 94 -22.817 17.911 -16.082 1.00 14.05 H new ATOM 0 HB VAL A 94 -21.561 17.193 -18.075 1.00 63.43 H new ATOM 0 HG11 VAL A 94 -19.438 18.347 -17.618 1.00 42.32 H new ATOM 0 HG12 VAL A 94 -20.826 19.210 -16.914 1.00 42.32 H new ATOM 0 HG13 VAL A 94 -19.760 18.239 -15.871 1.00 42.32 H new ATOM 0 HG21 VAL A 94 -19.485 15.888 -17.852 1.00 13.11 H new ATOM 0 HG22 VAL A 94 -19.810 15.677 -16.115 1.00 13.11 H new ATOM 0 HG23 VAL A 94 -20.908 14.962 -17.319 1.00 13.11 H new ATOM 1499 N LYS A 95 -23.717 15.794 -17.491 1.00 32.24 N ATOM 1500 CA LYS A 95 -24.585 14.694 -17.891 1.00 30.55 C ATOM 1501 C LYS A 95 -23.945 13.874 -19.007 1.00 21.32 C ATOM 1502 O LYS A 95 -24.206 12.677 -19.139 1.00 14.41 O ATOM 1503 CB LYS A 95 -25.942 15.229 -18.352 1.00 4.42 C ATOM 1504 CG LYS A 95 -26.582 16.193 -17.368 1.00 40.31 C ATOM 1505 CD LYS A 95 -28.074 15.944 -17.232 1.00 5.12 C ATOM 1506 CE LYS A 95 -28.667 16.727 -16.071 1.00 42.20 C ATOM 1507 NZ LYS A 95 -29.476 17.887 -16.539 1.00 40.10 N1+ ATOM 0 H LYS A 95 -23.644 16.544 -18.178 1.00 32.24 H new ATOM 0 HA LYS A 95 -24.731 14.047 -17.026 1.00 30.55 H new ATOM 0 HB2 LYS A 95 -25.818 15.731 -19.311 1.00 4.42 H new ATOM 0 HB3 LYS A 95 -26.617 14.389 -18.517 1.00 4.42 H new ATOM 0 HG2 LYS A 95 -26.105 16.089 -16.393 1.00 40.31 H new ATOM 0 HG3 LYS A 95 -26.412 17.218 -17.699 1.00 40.31 H new ATOM 0 HD2 LYS A 95 -28.577 16.226 -18.157 1.00 5.12 H new ATOM 0 HD3 LYS A 95 -28.254 14.879 -17.084 1.00 5.12 H new ATOM 0 HE2 LYS A 95 -29.293 16.067 -15.470 1.00 42.20 H new ATOM 0 HE3 LYS A 95 -27.864 17.081 -15.424 1.00 42.20 H new ATOM 0 HZ1 LYS A 95 -29.863 18.395 -15.718 1.00 40.10 H new ATOM 0 HZ2 LYS A 95 -28.874 18.530 -17.091 1.00 40.10 H new ATOM 0 HZ3 LYS A 95 -30.257 17.547 -17.135 1.00 40.10 H new ATOM 1521 N ASP A 96 -23.106 14.523 -19.806 1.00 52.30 N ATOM 1522 CA ASP A 96 -22.426 13.853 -20.909 1.00 1.10 C ATOM 1523 C ASP A 96 -21.008 14.387 -21.078 1.00 53.41 C ATOM 1524 O ASP A 96 -20.555 15.237 -20.308 1.00 70.34 O ATOM 1525 CB ASP A 96 -23.211 14.039 -22.207 1.00 64.52 C ATOM 1526 CG ASP A 96 -23.519 15.495 -22.496 1.00 2.13 C ATOM 1527 OD1 ASP A 96 -22.664 16.172 -23.106 1.00 21.41 O ATOM 1528 OD2 ASP A 96 -24.614 15.958 -22.113 1.00 32.33 O1- ATOM 0 H ASP A 96 -22.880 15.513 -19.711 1.00 52.30 H new ATOM 0 HA ASP A 96 -22.369 12.790 -20.676 1.00 1.10 H new ATOM 0 HB2 ASP A 96 -22.640 13.620 -23.036 1.00 64.52 H new ATOM 0 HB3 ASP A 96 -24.144 13.479 -22.147 1.00 64.52 H new ATOM 1533 N THR A 97 -20.307 13.884 -22.089 1.00 40.02 N ATOM 1534 CA THR A 97 -18.938 14.308 -22.358 1.00 63.15 C ATOM 1535 C THR A 97 -18.902 15.723 -22.922 1.00 63.33 C ATOM 1536 O THR A 97 -18.059 16.534 -22.540 1.00 11.22 O ATOM 1537 CB THR A 97 -18.239 13.356 -23.346 1.00 34.20 C ATOM 1538 OG1 THR A 97 -18.193 12.032 -22.801 1.00 41.42 O ATOM 1539 CG2 THR A 97 -16.827 13.834 -23.650 1.00 30.32 C ATOM 0 H THR A 97 -20.665 13.182 -22.736 1.00 40.02 H new ATOM 0 HA THR A 97 -18.407 14.285 -21.406 1.00 63.15 H new ATOM 0 HB THR A 97 -18.810 13.347 -24.274 1.00 34.20 H new ATOM 0 HG1 THR A 97 -17.650 11.458 -23.381 1.00 41.42 H new ATOM 0 HG21 THR A 97 -16.353 13.146 -24.350 1.00 30.32 H new ATOM 0 HG22 THR A 97 -16.867 14.830 -24.091 1.00 30.32 H new ATOM 0 HG23 THR A 97 -16.248 13.869 -22.727 1.00 30.32 H new ATOM 1547 N LYS A 98 -19.824 16.016 -23.833 1.00 71.44 N ATOM 1548 CA LYS A 98 -19.900 17.334 -24.450 1.00 54.53 C ATOM 1549 C LYS A 98 -19.991 18.427 -23.389 1.00 13.11 C ATOM 1550 O LYS A 98 -19.221 19.387 -23.406 1.00 32.33 O ATOM 1551 CB LYS A 98 -21.109 17.415 -25.384 1.00 61.43 C ATOM 1552 CG LYS A 98 -20.854 18.228 -26.642 1.00 53.30 C ATOM 1553 CD LYS A 98 -21.942 19.264 -26.866 1.00 42.22 C ATOM 1554 CE LYS A 98 -23.260 18.612 -27.255 1.00 30.32 C ATOM 1555 NZ LYS A 98 -23.421 18.526 -28.734 1.00 44.02 N1+ ATOM 0 H LYS A 98 -20.530 15.357 -24.160 1.00 71.44 H new ATOM 0 HA LYS A 98 -18.990 17.488 -25.030 1.00 54.53 H new ATOM 0 HB2 LYS A 98 -21.406 16.405 -25.668 1.00 61.43 H new ATOM 0 HB3 LYS A 98 -21.947 17.853 -24.842 1.00 61.43 H new ATOM 0 HG2 LYS A 98 -19.887 18.725 -26.565 1.00 53.30 H new ATOM 0 HG3 LYS A 98 -20.802 17.561 -27.503 1.00 53.30 H new ATOM 0 HD2 LYS A 98 -22.079 19.851 -25.958 1.00 42.22 H new ATOM 0 HD3 LYS A 98 -21.632 19.956 -27.649 1.00 42.22 H new ATOM 0 HE2 LYS A 98 -23.311 17.612 -26.825 1.00 30.32 H new ATOM 0 HE3 LYS A 98 -24.087 19.183 -26.832 1.00 30.32 H new ATOM 0 HZ1 LYS A 98 -24.331 18.076 -28.959 1.00 44.02 H new ATOM 0 HZ2 LYS A 98 -23.398 19.482 -29.142 1.00 44.02 H new ATOM 0 HZ3 LYS A 98 -22.646 17.960 -29.135 1.00 44.02 H new ATOM 1569 N GLU A 99 -20.935 18.273 -22.466 1.00 72.53 N ATOM 1570 CA GLU A 99 -21.125 19.246 -21.397 1.00 32.02 C ATOM 1571 C GLU A 99 -19.813 19.511 -20.664 1.00 51.03 C ATOM 1572 O GLU A 99 -19.430 20.661 -20.453 1.00 73.22 O ATOM 1573 CB GLU A 99 -22.184 18.752 -20.409 1.00 13.44 C ATOM 1574 CG GLU A 99 -23.587 19.239 -20.728 1.00 53.12 C ATOM 1575 CD GLU A 99 -24.548 19.046 -19.571 1.00 72.53 C ATOM 1576 OE1 GLU A 99 -24.161 18.386 -18.583 1.00 54.31 O ATOM 1577 OE2 GLU A 99 -25.686 19.552 -19.652 1.00 25.40 O1- ATOM 0 H GLU A 99 -21.580 17.483 -22.437 1.00 72.53 H new ATOM 0 HA GLU A 99 -21.466 20.179 -21.846 1.00 32.02 H new ATOM 0 HB2 GLU A 99 -22.180 17.662 -20.400 1.00 13.44 H new ATOM 0 HB3 GLU A 99 -21.914 19.080 -19.405 1.00 13.44 H new ATOM 0 HG2 GLU A 99 -23.550 20.296 -20.992 1.00 53.12 H new ATOM 0 HG3 GLU A 99 -23.963 18.706 -21.601 1.00 53.12 H new ATOM 1584 N ALA A 100 -19.130 18.438 -20.279 1.00 32.20 N ATOM 1585 CA ALA A 100 -17.862 18.554 -19.571 1.00 12.20 C ATOM 1586 C ALA A 100 -16.793 19.185 -20.457 1.00 62.22 C ATOM 1587 O ALA A 100 -15.901 19.882 -19.971 1.00 11.13 O ATOM 1588 CB ALA A 100 -17.404 17.187 -19.082 1.00 40.43 C ATOM 0 H ALA A 100 -19.434 17.479 -20.446 1.00 32.20 H new ATOM 0 HA ALA A 100 -18.014 19.205 -18.710 1.00 12.20 H new ATOM 0 HB1 ALA A 100 -16.455 17.288 -18.555 1.00 40.43 H new ATOM 0 HB2 ALA A 100 -18.152 16.773 -18.406 1.00 40.43 H new ATOM 0 HB3 ALA A 100 -17.276 16.520 -19.934 1.00 40.43 H new ATOM 1594 N LEU A 101 -16.889 18.937 -21.759 1.00 44.43 N ATOM 1595 CA LEU A 101 -15.931 19.482 -22.714 1.00 44.21 C ATOM 1596 C LEU A 101 -16.058 21.000 -22.808 1.00 73.31 C ATOM 1597 O LEU A 101 -15.064 21.721 -22.730 1.00 13.14 O ATOM 1598 CB LEU A 101 -16.143 18.855 -24.093 1.00 52.44 C ATOM 1599 CG LEU A 101 -14.887 18.338 -24.795 1.00 24.22 C ATOM 1600 CD1 LEU A 101 -13.871 19.456 -24.964 1.00 44.22 C ATOM 1601 CD2 LEU A 101 -14.281 17.178 -24.019 1.00 61.34 C ATOM 0 H LEU A 101 -17.621 18.362 -22.177 1.00 44.43 H new ATOM 0 HA LEU A 101 -14.928 19.241 -22.362 1.00 44.21 H new ATOM 0 HB2 LEU A 101 -16.844 18.027 -23.990 1.00 52.44 H new ATOM 0 HB3 LEU A 101 -16.617 19.595 -24.738 1.00 52.44 H new ATOM 0 HG LEU A 101 -15.170 17.979 -25.785 1.00 24.22 H new ATOM 0 HD11 LEU A 101 -12.984 19.069 -25.465 1.00 44.22 H new ATOM 0 HD12 LEU A 101 -14.306 20.256 -25.563 1.00 44.22 H new ATOM 0 HD13 LEU A 101 -13.593 19.846 -23.985 1.00 44.22 H new ATOM 0 HD21 LEU A 101 -13.388 16.823 -24.534 1.00 61.34 H new ATOM 0 HD22 LEU A 101 -14.014 17.511 -23.016 1.00 61.34 H new ATOM 0 HD23 LEU A 101 -15.007 16.367 -23.951 1.00 61.34 H new ATOM 1613 N ASP A 102 -17.286 21.476 -22.974 1.00 32.13 N ATOM 1614 CA ASP A 102 -17.543 22.908 -23.076 1.00 70.53 C ATOM 1615 C ASP A 102 -17.003 23.645 -21.855 1.00 55.42 C ATOM 1616 O ASP A 102 -16.468 24.749 -21.968 1.00 70.32 O ATOM 1617 CB ASP A 102 -19.044 23.169 -23.221 1.00 32.14 C ATOM 1618 CG ASP A 102 -19.342 24.564 -23.735 1.00 12.45 C ATOM 1619 OD1 ASP A 102 -18.381 25.301 -24.041 1.00 34.21 O1- ATOM 1620 OD2 ASP A 102 -20.535 24.919 -23.830 1.00 4.34 O ATOM 0 H ASP A 102 -18.120 20.892 -23.041 1.00 32.13 H new ATOM 0 HA ASP A 102 -17.029 23.282 -23.961 1.00 70.53 H new ATOM 0 HB2 ASP A 102 -19.473 22.434 -23.902 1.00 32.14 H new ATOM 0 HB3 ASP A 102 -19.529 23.030 -22.255 1.00 32.14 H new ATOM 1625 N LYS A 103 -17.146 23.028 -20.686 1.00 32.11 N ATOM 1626 CA LYS A 103 -16.672 23.624 -19.443 1.00 11.01 C ATOM 1627 C LYS A 103 -15.177 23.920 -19.516 1.00 73.04 C ATOM 1628 O LYS A 103 -14.706 24.924 -18.979 1.00 20.41 O ATOM 1629 CB LYS A 103 -16.961 22.693 -18.264 1.00 73.11 C ATOM 1630 CG LYS A 103 -18.093 23.173 -17.373 1.00 53.12 C ATOM 1631 CD LYS A 103 -19.429 22.593 -17.807 1.00 52.42 C ATOM 1632 CE LYS A 103 -20.573 23.551 -17.514 1.00 41.24 C ATOM 1633 NZ LYS A 103 -21.717 23.351 -18.447 1.00 1.11 N1+ ATOM 0 H LYS A 103 -17.587 22.115 -20.574 1.00 32.11 H new ATOM 0 HA LYS A 103 -17.204 24.564 -19.295 1.00 11.01 H new ATOM 0 HB2 LYS A 103 -17.206 21.702 -18.646 1.00 73.11 H new ATOM 0 HB3 LYS A 103 -16.057 22.589 -17.664 1.00 73.11 H new ATOM 0 HG2 LYS A 103 -17.890 22.889 -16.341 1.00 53.12 H new ATOM 0 HG3 LYS A 103 -18.142 24.262 -17.400 1.00 53.12 H new ATOM 0 HD2 LYS A 103 -19.402 22.372 -18.874 1.00 52.42 H new ATOM 0 HD3 LYS A 103 -19.602 21.649 -17.291 1.00 52.42 H new ATOM 0 HE2 LYS A 103 -20.912 23.409 -16.488 1.00 41.24 H new ATOM 0 HE3 LYS A 103 -20.216 24.578 -17.592 1.00 41.24 H new ATOM 0 HZ1 LYS A 103 -22.476 24.023 -18.214 1.00 1.11 H new ATOM 0 HZ2 LYS A 103 -21.400 23.512 -19.424 1.00 1.11 H new ATOM 0 HZ3 LYS A 103 -22.075 22.379 -18.354 1.00 1.11 H new ATOM 1647 N ILE A 104 -14.437 23.041 -20.184 1.00 12.51 N ATOM 1648 CA ILE A 104 -12.996 23.211 -20.329 1.00 71.53 C ATOM 1649 C ILE A 104 -12.669 24.212 -21.432 1.00 21.41 C ATOM 1650 O ILE A 104 -11.682 24.941 -21.348 1.00 13.23 O ATOM 1651 CB ILE A 104 -12.301 21.873 -20.642 1.00 60.22 C ATOM 1652 CG1 ILE A 104 -12.589 20.853 -19.539 1.00 63.13 C ATOM 1653 CG2 ILE A 104 -10.802 22.079 -20.802 1.00 2.22 C ATOM 1654 CD1 ILE A 104 -12.140 19.449 -19.881 1.00 54.43 C ATOM 0 H ILE A 104 -14.811 22.205 -20.633 1.00 12.51 H new ATOM 0 HA ILE A 104 -12.625 23.590 -19.377 1.00 71.53 H new ATOM 0 HB ILE A 104 -12.697 21.486 -21.581 1.00 60.22 H new ATOM 0 HG12 ILE A 104 -12.092 21.171 -18.622 1.00 63.13 H new ATOM 0 HG13 ILE A 104 -13.660 20.844 -19.335 1.00 63.13 H new ATOM 0 HG21 ILE A 104 -10.325 21.124 -21.023 1.00 2.22 H new ATOM 0 HG22 ILE A 104 -10.616 22.775 -21.620 1.00 2.22 H new ATOM 0 HG23 ILE A 104 -10.390 22.485 -19.878 1.00 2.22 H new ATOM 0 HD11 ILE A 104 -12.376 18.780 -19.054 1.00 54.43 H new ATOM 0 HD12 ILE A 104 -12.656 19.111 -20.780 1.00 54.43 H new ATOM 0 HD13 ILE A 104 -11.064 19.444 -20.056 1.00 54.43 H new ATOM 1666 N GLU A 105 -13.506 24.240 -22.465 1.00 43.41 N ATOM 1667 CA GLU A 105 -13.305 25.153 -23.584 1.00 5.44 C ATOM 1668 C GLU A 105 -13.591 26.594 -23.170 1.00 13.40 C ATOM 1669 O GLU A 105 -12.923 27.523 -23.621 1.00 2.33 O ATOM 1670 CB GLU A 105 -14.204 24.761 -24.758 1.00 21.02 C ATOM 1671 CG GLU A 105 -13.885 25.505 -26.045 1.00 14.31 C ATOM 1672 CD GLU A 105 -14.791 26.700 -26.267 1.00 24.34 C ATOM 1673 OE1 GLU A 105 -15.470 27.119 -25.306 1.00 74.23 O1- ATOM 1674 OE2 GLU A 105 -14.822 27.217 -27.404 1.00 72.52 O ATOM 0 H GLU A 105 -14.328 23.642 -22.550 1.00 43.41 H new ATOM 0 HA GLU A 105 -12.262 25.083 -23.894 1.00 5.44 H new ATOM 0 HB2 GLU A 105 -14.110 23.690 -24.935 1.00 21.02 H new ATOM 0 HB3 GLU A 105 -15.243 24.949 -24.488 1.00 21.02 H new ATOM 0 HG2 GLU A 105 -12.848 25.840 -26.019 1.00 14.31 H new ATOM 0 HG3 GLU A 105 -13.979 24.821 -26.889 1.00 14.31 H new