USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=15 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 65 GLN : amide:sc= -0.721 K(o=-1.2,f=-6.1!) USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= -0.508 USER MOD Set 2.1: A 59 GLN : amide:sc= 0 X(o=-0.02,f=-0.24) USER MOD Set 2.2: A 63 GLN : amide:sc= -0.0199 X(o=-0.02,f=-0.21) USER MOD Set 3.1: A 29 TYR OH : rot 166:sc= 1.16 USER MOD Set 3.2: A 97 THR OG1 : rot 137:sc= 2.13 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0943 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.102 K(o=-0.1,f=1.2) 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= -3.34! C(o=-3.3!,f=-7.9!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -37:sc= 1.68 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 95:sc= -0.24 USER MOD Single : A 67 SER OG : rot 95:sc= 1.28 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 70 THR OG1 : rot -48:sc= 0.9 USER MOD Single : A 72 SER OG : rot 180:sc= 0.00211 USER MOD Single : A 77 SER OG : rot 85:sc= 0.941 USER MOD Single : A 80 ASN : amide:sc= -0.939 X(o=-0.94,f=-1.1) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 93:sc= 0.694 USER MOD Single : A 89 HIS : no HD1:sc= -0.907 K(o=-0.25,f=-4!) USER MOD Single : A 90 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.29) 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 -9.125 5.346 -8.712 1.00 23.42 N ATOM 64 CA VAL A 7 -9.221 6.625 -9.406 1.00 24.33 C ATOM 65 C VAL A 7 -10.396 7.446 -8.887 1.00 31.14 C ATOM 66 O VAL A 7 -10.228 8.590 -8.462 1.00 33.24 O ATOM 67 CB VAL A 7 -9.378 6.428 -10.926 1.00 14.22 C ATOM 68 CG1 VAL A 7 -9.377 7.771 -11.641 1.00 10.12 C ATOM 69 CG2 VAL A 7 -8.276 5.528 -11.463 1.00 11.12 C ATOM 0 HA VAL A 7 -8.293 7.162 -9.210 1.00 24.33 H new ATOM 0 HB VAL A 7 -10.336 5.943 -11.115 1.00 14.22 H new ATOM 0 HG11 VAL A 7 -9.489 7.612 -12.714 1.00 10.12 H new ATOM 0 HG12 VAL A 7 -10.205 8.378 -11.276 1.00 10.12 H new ATOM 0 HG13 VAL A 7 -8.436 8.286 -11.447 1.00 10.12 H new ATOM 0 HG21 VAL A 7 -8.402 5.400 -12.538 1.00 11.12 H new ATOM 0 HG22 VAL A 7 -7.306 5.982 -11.263 1.00 11.12 H new ATOM 0 HG23 VAL A 7 -8.329 4.556 -10.973 1.00 11.12 H new ATOM 79 N LEU A 8 -11.586 6.855 -8.923 1.00 3.33 N ATOM 80 CA LEU A 8 -12.790 7.531 -8.455 1.00 24.32 C ATOM 81 C LEU A 8 -13.295 6.908 -7.158 1.00 72.14 C ATOM 82 O LEU A 8 -13.446 5.690 -7.059 1.00 43.51 O ATOM 83 CB LEU A 8 -13.883 7.466 -9.524 1.00 50.45 C ATOM 84 CG LEU A 8 -13.673 8.353 -10.752 1.00 70.24 C ATOM 85 CD1 LEU A 8 -14.734 8.069 -11.804 1.00 3.22 C ATOM 86 CD2 LEU A 8 -13.693 9.823 -10.358 1.00 72.32 C ATOM 0 H LEU A 8 -11.742 5.909 -9.272 1.00 3.33 H new ATOM 0 HA LEU A 8 -12.540 8.574 -8.262 1.00 24.32 H new ATOM 0 HB2 LEU A 8 -13.976 6.433 -9.858 1.00 50.45 H new ATOM 0 HB3 LEU A 8 -14.832 7.738 -9.062 1.00 50.45 H new ATOM 0 HG LEU A 8 -12.696 8.124 -11.178 1.00 70.24 H new ATOM 0 HD11 LEU A 8 -14.568 8.710 -12.670 1.00 3.22 H new ATOM 0 HD12 LEU A 8 -14.674 7.024 -12.109 1.00 3.22 H new ATOM 0 HD13 LEU A 8 -15.721 8.269 -11.388 1.00 3.22 H new ATOM 0 HD21 LEU A 8 -13.542 10.439 -11.244 1.00 72.32 H new ATOM 0 HD22 LEU A 8 -14.655 10.066 -9.907 1.00 72.32 H new ATOM 0 HD23 LEU A 8 -12.896 10.018 -9.640 1.00 72.32 H new ATOM 98 N SER A 9 -13.558 7.752 -6.165 1.00 42.33 N ATOM 99 CA SER A 9 -14.045 7.284 -4.873 1.00 73.10 C ATOM 100 C SER A 9 -15.488 6.801 -4.979 1.00 24.13 C ATOM 101 O SER A 9 -16.052 6.729 -6.070 1.00 24.43 O ATOM 102 CB SER A 9 -13.946 8.401 -3.832 1.00 43.43 C ATOM 103 OG SER A 9 -15.173 9.099 -3.714 1.00 15.43 O ATOM 0 H SER A 9 -13.442 8.763 -6.231 1.00 42.33 H new ATOM 0 HA SER A 9 -13.421 6.447 -4.559 1.00 73.10 H new ATOM 0 HB2 SER A 9 -13.670 7.978 -2.866 1.00 43.43 H new ATOM 0 HB3 SER A 9 -13.155 9.096 -4.114 1.00 43.43 H new ATOM 0 HG SER A 9 -15.084 9.806 -3.041 1.00 15.43 H new ATOM 109 N GLY A 10 -16.080 6.468 -3.836 1.00 52.23 N ATOM 110 CA GLY A 10 -17.452 5.995 -3.821 1.00 12.33 C ATOM 111 C GLY A 10 -18.417 6.996 -4.423 1.00 73.04 C ATOM 112 O GLY A 10 -19.218 6.652 -5.291 1.00 64.34 O ATOM 0 H GLY A 10 -15.634 6.517 -2.920 1.00 52.23 H new ATOM 0 HA2 GLY A 10 -17.516 5.057 -4.372 1.00 12.33 H new ATOM 0 HA3 GLY A 10 -17.748 5.782 -2.794 1.00 12.33 H new ATOM 116 N GLY A 11 -18.344 8.240 -3.958 1.00 42.41 N ATOM 117 CA GLY A 11 -19.225 9.275 -4.467 1.00 33.31 C ATOM 118 C GLY A 11 -18.978 9.579 -5.930 1.00 42.25 C ATOM 119 O GLY A 11 -19.920 9.774 -6.698 1.00 41.32 O ATOM 0 H GLY A 11 -17.691 8.549 -3.238 1.00 42.41 H new ATOM 0 HA2 GLY A 11 -20.261 8.964 -4.334 1.00 33.31 H new ATOM 0 HA3 GLY A 11 -19.088 10.184 -3.882 1.00 33.31 H new ATOM 123 N GLU A 12 -17.706 9.623 -6.318 1.00 35.31 N ATOM 124 CA GLU A 12 -17.339 9.909 -7.700 1.00 53.52 C ATOM 125 C GLU A 12 -17.768 8.773 -8.623 1.00 62.41 C ATOM 126 O GLU A 12 -18.154 9.002 -9.770 1.00 33.32 O ATOM 127 CB GLU A 12 -15.829 10.131 -7.814 1.00 12.02 C ATOM 128 CG GLU A 12 -15.264 11.038 -6.734 1.00 52.34 C ATOM 129 CD GLU A 12 -13.812 11.399 -6.976 1.00 5.44 C ATOM 130 OE1 GLU A 12 -12.929 10.626 -6.547 1.00 14.22 O ATOM 131 OE2 GLU A 12 -13.556 12.453 -7.595 1.00 32.01 O1- ATOM 0 H GLU A 12 -16.914 9.464 -5.695 1.00 35.31 H new ATOM 0 HA GLU A 12 -17.857 10.818 -8.006 1.00 53.52 H new ATOM 0 HB2 GLU A 12 -15.324 9.166 -7.767 1.00 12.02 H new ATOM 0 HB3 GLU A 12 -15.606 10.561 -8.791 1.00 12.02 H new ATOM 0 HG2 GLU A 12 -15.858 11.951 -6.684 1.00 52.34 H new ATOM 0 HG3 GLU A 12 -15.355 10.545 -5.766 1.00 52.34 H new ATOM 138 N LEU A 13 -17.697 7.548 -8.116 1.00 23.22 N ATOM 139 CA LEU A 13 -18.078 6.373 -8.894 1.00 43.35 C ATOM 140 C LEU A 13 -19.547 6.441 -9.298 1.00 4.22 C ATOM 141 O LEU A 13 -19.882 6.339 -10.479 1.00 51.15 O ATOM 142 CB LEU A 13 -17.816 5.098 -8.092 1.00 45.43 C ATOM 143 CG LEU A 13 -17.800 3.795 -8.891 1.00 3.44 C ATOM 144 CD1 LEU A 13 -16.713 3.834 -9.955 1.00 24.24 C ATOM 145 CD2 LEU A 13 -17.598 2.604 -7.965 1.00 12.51 C ATOM 0 H LEU A 13 -17.379 7.341 -7.169 1.00 23.22 H new ATOM 0 HA LEU A 13 -17.471 6.355 -9.800 1.00 43.35 H new ATOM 0 HB2 LEU A 13 -16.857 5.202 -7.585 1.00 45.43 H new ATOM 0 HB3 LEU A 13 -18.579 5.017 -7.317 1.00 45.43 H new ATOM 0 HG LEU A 13 -18.764 3.685 -9.388 1.00 3.44 H new ATOM 0 HD11 LEU A 13 -16.717 2.898 -10.514 1.00 24.24 H new ATOM 0 HD12 LEU A 13 -16.900 4.664 -10.636 1.00 24.24 H new ATOM 0 HD13 LEU A 13 -15.742 3.968 -9.478 1.00 24.24 H new ATOM 0 HD21 LEU A 13 -17.589 1.685 -8.551 1.00 12.51 H new ATOM 0 HD22 LEU A 13 -16.649 2.708 -7.440 1.00 12.51 H new ATOM 0 HD23 LEU A 13 -18.411 2.565 -7.240 1.00 12.51 H new ATOM 157 N ASP A 14 -20.418 6.615 -8.311 1.00 62.31 N ATOM 158 CA ASP A 14 -21.852 6.701 -8.564 1.00 31.35 C ATOM 159 C ASP A 14 -22.154 7.741 -9.637 1.00 73.12 C ATOM 160 O ASP A 14 -23.014 7.535 -10.494 1.00 45.23 O ATOM 161 CB ASP A 14 -22.599 7.047 -7.275 1.00 2.12 C ATOM 162 CG ASP A 14 -24.084 7.251 -7.504 1.00 54.43 C ATOM 163 OD1 ASP A 14 -24.758 6.286 -7.920 1.00 15.25 O1- ATOM 164 OD2 ASP A 14 -24.571 8.376 -7.266 1.00 61.12 O ATOM 0 H ASP A 14 -20.157 6.699 -7.329 1.00 62.31 H new ATOM 0 HA ASP A 14 -22.191 5.729 -8.922 1.00 31.35 H new ATOM 0 HB2 ASP A 14 -22.453 6.248 -6.548 1.00 2.12 H new ATOM 0 HB3 ASP A 14 -22.173 7.953 -6.843 1.00 2.12 H new ATOM 169 N LYS A 15 -21.444 8.863 -9.583 1.00 50.20 N ATOM 170 CA LYS A 15 -21.634 9.937 -10.549 1.00 62.23 C ATOM 171 C LYS A 15 -21.063 9.553 -11.911 1.00 61.11 C ATOM 172 O LYS A 15 -21.666 9.833 -12.948 1.00 4.52 O ATOM 173 CB LYS A 15 -20.970 11.223 -10.051 1.00 71.55 C ATOM 174 CG LYS A 15 -21.931 12.394 -9.924 1.00 4.32 C ATOM 175 CD LYS A 15 -21.443 13.406 -8.901 1.00 20.11 C ATOM 176 CE LYS A 15 -22.603 14.045 -8.153 1.00 21.51 C ATOM 177 NZ LYS A 15 -22.727 13.519 -6.766 1.00 4.25 N1+ ATOM 0 H LYS A 15 -20.731 9.052 -8.879 1.00 50.20 H new ATOM 0 HA LYS A 15 -22.705 10.107 -10.658 1.00 62.23 H new ATOM 0 HB2 LYS A 15 -20.512 11.033 -9.081 1.00 71.55 H new ATOM 0 HB3 LYS A 15 -20.166 11.496 -10.735 1.00 71.55 H new ATOM 0 HG2 LYS A 15 -22.044 12.880 -10.893 1.00 4.32 H new ATOM 0 HG3 LYS A 15 -22.916 12.028 -9.634 1.00 4.32 H new ATOM 0 HD2 LYS A 15 -20.777 12.915 -8.191 1.00 20.11 H new ATOM 0 HD3 LYS A 15 -20.861 14.180 -9.402 1.00 20.11 H new ATOM 0 HE2 LYS A 15 -22.463 15.125 -8.120 1.00 21.51 H new ATOM 0 HE3 LYS A 15 -23.530 13.860 -8.695 1.00 21.51 H new ATOM 0 HZ1 LYS A 15 -23.529 13.980 -6.290 1.00 4.25 H new ATOM 0 HZ2 LYS A 15 -22.887 12.492 -6.797 1.00 4.25 H new ATOM 0 HZ3 LYS A 15 -21.852 13.718 -6.240 1.00 4.25 H new ATOM 191 N TRP A 16 -19.901 8.910 -11.900 1.00 52.23 N ATOM 192 CA TRP A 16 -19.250 8.486 -13.134 1.00 72.44 C ATOM 193 C TRP A 16 -20.186 7.622 -13.973 1.00 3.42 C ATOM 194 O TRP A 16 -20.214 7.733 -15.198 1.00 34.11 O ATOM 195 CB TRP A 16 -17.967 7.716 -12.820 1.00 13.14 C ATOM 196 CG TRP A 16 -17.337 7.093 -14.029 1.00 54.44 C ATOM 197 CD1 TRP A 16 -17.398 5.782 -14.403 1.00 73.11 C ATOM 198 CD2 TRP A 16 -16.547 7.759 -15.021 1.00 32.02 C ATOM 199 NE1 TRP A 16 -16.695 5.591 -15.567 1.00 3.20 N ATOM 200 CE2 TRP A 16 -16.163 6.789 -15.967 1.00 64.21 C ATOM 201 CE3 TRP A 16 -16.128 9.080 -15.203 1.00 32.04 C ATOM 202 CZ2 TRP A 16 -15.382 7.100 -17.077 1.00 52.54 C ATOM 203 CZ3 TRP A 16 -15.352 9.387 -16.304 1.00 33.12 C ATOM 204 CH2 TRP A 16 -14.986 8.401 -17.229 1.00 2.31 C ATOM 0 H TRP A 16 -19.390 8.671 -11.050 1.00 52.23 H new ATOM 0 HA TRP A 16 -18.997 9.378 -13.708 1.00 72.44 H new ATOM 0 HB2 TRP A 16 -17.251 8.392 -12.354 1.00 13.14 H new ATOM 0 HB3 TRP A 16 -18.189 6.936 -12.092 1.00 13.14 H new ATOM 0 HD1 TRP A 16 -17.922 5.008 -13.863 1.00 73.11 H new ATOM 0 HE1 TRP A 16 -16.586 4.702 -16.055 1.00 3.20 H new ATOM 0 HE3 TRP A 16 -16.406 9.847 -14.495 1.00 32.04 H new ATOM 0 HZ2 TRP A 16 -15.099 6.342 -17.792 1.00 52.54 H new ATOM 0 HZ3 TRP A 16 -15.022 10.404 -16.454 1.00 33.12 H new ATOM 0 HH2 TRP A 16 -14.379 8.673 -18.080 1.00 2.31 H new ATOM 215 N GLU A 17 -20.948 6.762 -13.305 1.00 1.34 N ATOM 216 CA GLU A 17 -21.882 5.878 -13.992 1.00 35.15 C ATOM 217 C GLU A 17 -23.086 6.658 -14.511 1.00 24.00 C ATOM 218 O GLU A 17 -23.824 6.182 -15.374 1.00 25.42 O ATOM 219 CB GLU A 17 -22.351 4.765 -13.051 1.00 4.41 C ATOM 220 CG GLU A 17 -21.265 3.756 -12.715 1.00 25.34 C ATOM 221 CD GLU A 17 -21.807 2.529 -12.008 1.00 61.31 C ATOM 222 OE1 GLU A 17 -23.036 2.460 -11.796 1.00 31.20 O1- ATOM 223 OE2 GLU A 17 -21.003 1.637 -11.667 1.00 62.12 O ATOM 0 H GLU A 17 -20.937 6.659 -12.290 1.00 1.34 H new ATOM 0 HA GLU A 17 -21.364 5.433 -14.841 1.00 35.15 H new ATOM 0 HB2 GLU A 17 -22.719 5.212 -12.127 1.00 4.41 H new ATOM 0 HB3 GLU A 17 -23.191 4.243 -13.509 1.00 4.41 H new ATOM 0 HG2 GLU A 17 -20.763 3.450 -13.632 1.00 25.34 H new ATOM 0 HG3 GLU A 17 -20.514 4.232 -12.084 1.00 25.34 H new ATOM 230 N LYS A 18 -23.279 7.861 -13.980 1.00 64.41 N ATOM 231 CA LYS A 18 -24.391 8.709 -14.390 1.00 73.52 C ATOM 232 C LYS A 18 -23.953 9.701 -15.463 1.00 71.33 C ATOM 233 O LYS A 18 -24.463 10.820 -15.533 1.00 50.40 O ATOM 234 CB LYS A 18 -24.955 9.463 -13.183 1.00 64.24 C ATOM 235 CG LYS A 18 -26.423 9.830 -13.327 1.00 0.33 C ATOM 236 CD LYS A 18 -27.326 8.661 -12.973 1.00 62.21 C ATOM 237 CE LYS A 18 -27.610 8.608 -11.480 1.00 63.50 C ATOM 238 NZ LYS A 18 -28.998 8.147 -11.196 1.00 33.51 N1+ ATOM 0 H LYS A 18 -22.679 8.270 -13.264 1.00 64.41 H new ATOM 0 HA LYS A 18 -25.168 8.069 -14.808 1.00 73.52 H new ATOM 0 HB2 LYS A 18 -24.828 8.850 -12.291 1.00 64.24 H new ATOM 0 HB3 LYS A 18 -24.375 10.373 -13.030 1.00 64.24 H new ATOM 0 HG2 LYS A 18 -26.652 10.677 -12.681 1.00 0.33 H new ATOM 0 HG3 LYS A 18 -26.621 10.147 -14.351 1.00 0.33 H new ATOM 0 HD2 LYS A 18 -28.265 8.746 -13.520 1.00 62.21 H new ATOM 0 HD3 LYS A 18 -26.857 7.729 -13.288 1.00 62.21 H new ATOM 0 HE2 LYS A 18 -26.899 7.937 -10.998 1.00 63.50 H new ATOM 0 HE3 LYS A 18 -27.460 9.597 -11.046 1.00 63.50 H new ATOM 0 HZ1 LYS A 18 -29.153 8.124 -10.168 1.00 33.51 H new ATOM 0 HZ2 LYS A 18 -29.678 8.801 -11.634 1.00 33.51 H new ATOM 0 HZ3 LYS A 18 -29.134 7.193 -11.588 1.00 33.51 H new ATOM 252 N ILE A 19 -23.008 9.283 -16.298 1.00 40.32 N ATOM 253 CA ILE A 19 -22.504 10.133 -17.369 1.00 74.34 C ATOM 254 C ILE A 19 -22.611 9.436 -18.721 1.00 42.33 C ATOM 255 O ILE A 19 -22.061 8.353 -18.916 1.00 23.33 O ATOM 256 CB ILE A 19 -21.038 10.536 -17.125 1.00 44.32 C ATOM 257 CG1 ILE A 19 -20.903 11.275 -15.792 1.00 60.33 C ATOM 258 CG2 ILE A 19 -20.528 11.399 -18.270 1.00 20.32 C ATOM 259 CD1 ILE A 19 -19.478 11.367 -15.293 1.00 41.13 C ATOM 0 H ILE A 19 -22.576 8.360 -16.253 1.00 40.32 H new ATOM 0 HA ILE A 19 -23.122 11.031 -17.377 1.00 74.34 H new ATOM 0 HB ILE A 19 -20.431 9.632 -17.079 1.00 44.32 H new ATOM 0 HG12 ILE A 19 -21.307 12.282 -15.902 1.00 60.33 H new ATOM 0 HG13 ILE A 19 -21.510 10.768 -15.042 1.00 60.33 H new ATOM 0 HG21 ILE A 19 -19.490 11.676 -18.083 1.00 20.32 H new ATOM 0 HG22 ILE A 19 -20.592 10.840 -19.203 1.00 20.32 H new ATOM 0 HG23 ILE A 19 -21.136 12.301 -18.345 1.00 20.32 H new ATOM 0 HD11 ILE A 19 -19.459 11.903 -14.344 1.00 41.13 H new ATOM 0 HD12 ILE A 19 -19.077 10.364 -15.151 1.00 41.13 H new ATOM 0 HD13 ILE A 19 -18.870 11.901 -16.024 1.00 41.13 H new ATOM 271 N ARG A 20 -23.319 10.068 -19.651 1.00 23.44 N ATOM 272 CA ARG A 20 -23.497 9.509 -20.986 1.00 1.31 C ATOM 273 C ARG A 20 -22.172 9.472 -21.741 1.00 70.15 C ATOM 274 O ARG A 20 -21.385 10.418 -21.681 1.00 64.05 O ATOM 275 CB ARG A 20 -24.522 10.327 -21.772 1.00 31.51 C ATOM 276 CG ARG A 20 -25.948 10.163 -21.270 1.00 45.42 C ATOM 277 CD ARG A 20 -26.952 10.232 -22.411 1.00 54.42 C ATOM 278 NE ARG A 20 -28.280 10.624 -21.947 1.00 61.32 N ATOM 279 CZ ARG A 20 -28.582 11.851 -21.535 1.00 31.15 C ATOM 280 NH1 ARG A 20 -27.656 12.799 -21.530 1.00 13.40 N1+ ATOM 281 NH2 ARG A 20 -29.814 12.130 -21.128 1.00 11.24 N ATOM 0 H ARG A 20 -23.779 10.967 -19.505 1.00 23.44 H new ATOM 0 HA ARG A 20 -23.863 8.488 -20.879 1.00 1.31 H new ATOM 0 HB2 ARG A 20 -24.248 11.381 -21.723 1.00 31.51 H new ATOM 0 HB3 ARG A 20 -24.480 10.035 -22.821 1.00 31.51 H new ATOM 0 HG2 ARG A 20 -26.046 9.207 -20.755 1.00 45.42 H new ATOM 0 HG3 ARG A 20 -26.170 10.942 -20.541 1.00 45.42 H new ATOM 0 HD2 ARG A 20 -26.604 10.945 -23.158 1.00 54.42 H new ATOM 0 HD3 ARG A 20 -27.011 9.260 -22.901 1.00 54.42 H new ATOM 0 HE ARG A 20 -29.016 9.918 -21.939 1.00 61.32 H new ATOM 0 HH11 ARG A 20 -26.708 12.588 -21.843 1.00 13.40 H new ATOM 0 HH12 ARG A 20 -27.891 13.740 -21.213 1.00 13.40 H new ATOM 0 HH21 ARG A 20 -30.529 11.403 -21.131 1.00 11.24 H new ATOM 0 HH22 ARG A 20 -30.046 13.072 -20.812 1.00 11.24 H new ATOM 295 N LEU A 21 -21.931 8.376 -22.451 1.00 31.51 N ATOM 296 CA LEU A 21 -20.702 8.216 -23.219 1.00 1.55 C ATOM 297 C LEU A 21 -20.654 9.200 -24.383 1.00 1.42 C ATOM 298 O LEU A 21 -19.578 9.623 -24.808 1.00 3.11 O ATOM 299 CB LEU A 21 -20.586 6.783 -23.742 1.00 20.12 C ATOM 300 CG LEU A 21 -20.200 5.721 -22.713 1.00 15.11 C ATOM 301 CD1 LEU A 21 -20.821 4.379 -23.070 1.00 53.23 C ATOM 302 CD2 LEU A 21 -18.686 5.601 -22.613 1.00 20.45 C ATOM 0 H LEU A 21 -22.571 7.584 -22.511 1.00 31.51 H new ATOM 0 HA LEU A 21 -19.861 8.424 -22.558 1.00 1.55 H new ATOM 0 HB2 LEU A 21 -21.541 6.501 -24.184 1.00 20.12 H new ATOM 0 HB3 LEU A 21 -19.847 6.769 -24.543 1.00 20.12 H new ATOM 0 HG LEU A 21 -20.585 6.028 -21.741 1.00 15.11 H new ATOM 0 HD11 LEU A 21 -20.535 3.636 -22.326 1.00 53.23 H new ATOM 0 HD12 LEU A 21 -21.907 4.474 -23.089 1.00 53.23 H new ATOM 0 HD13 LEU A 21 -20.467 4.064 -24.052 1.00 53.23 H new ATOM 0 HD21 LEU A 21 -18.429 4.840 -21.876 1.00 20.45 H new ATOM 0 HD22 LEU A 21 -18.279 5.318 -23.584 1.00 20.45 H new ATOM 0 HD23 LEU A 21 -18.264 6.559 -22.308 1.00 20.45 H new ATOM 314 N ARG A 22 -21.825 9.563 -24.893 1.00 23.50 N ATOM 315 CA ARG A 22 -21.918 10.498 -26.008 1.00 13.43 C ATOM 316 C ARG A 22 -23.112 11.434 -25.835 1.00 3.54 C ATOM 317 O ARG A 22 -24.052 11.149 -25.095 1.00 33.24 O ATOM 318 CB ARG A 22 -22.038 9.739 -27.330 1.00 74.23 C ATOM 319 CG ARG A 22 -20.749 9.709 -28.134 1.00 44.04 C ATOM 320 CD ARG A 22 -20.992 9.239 -29.560 1.00 52.02 C ATOM 321 NE ARG A 22 -19.924 9.655 -30.464 1.00 44.33 N ATOM 322 CZ ARG A 22 -18.712 9.109 -30.470 1.00 0.22 C ATOM 323 NH1 ARG A 22 -18.419 8.130 -29.627 1.00 54.50 N1+ ATOM 324 NH2 ARG A 22 -17.792 9.542 -31.323 1.00 32.52 N ATOM 0 H ARG A 22 -22.724 9.224 -24.552 1.00 23.50 H new ATOM 0 HA ARG A 22 -21.008 11.097 -26.023 1.00 13.43 H new ATOM 0 HB2 ARG A 22 -22.352 8.716 -27.124 1.00 74.23 H new ATOM 0 HB3 ARG A 22 -22.822 10.198 -27.933 1.00 74.23 H new ATOM 0 HG2 ARG A 22 -20.305 10.704 -28.149 1.00 44.04 H new ATOM 0 HG3 ARG A 22 -20.032 9.047 -27.649 1.00 44.04 H new ATOM 0 HD2 ARG A 22 -21.076 8.152 -29.574 1.00 52.02 H new ATOM 0 HD3 ARG A 22 -21.943 9.636 -29.915 1.00 52.02 H new ATOM 0 HE ARG A 22 -20.118 10.405 -31.127 1.00 44.33 H new ATOM 0 HH11 ARG A 22 -19.124 7.793 -28.971 1.00 54.50 H new ATOM 0 HH12 ARG A 22 -17.488 7.713 -29.634 1.00 54.50 H new ATOM 0 HH21 ARG A 22 -18.015 10.294 -31.975 1.00 32.52 H new ATOM 0 HH22 ARG A 22 -16.862 9.122 -31.327 1.00 32.52 H new ATOM 338 N PRO A 23 -23.073 12.577 -26.535 1.00 14.24 N ATOM 339 CA PRO A 23 -24.142 13.577 -26.475 1.00 71.34 C ATOM 340 C PRO A 23 -25.424 13.096 -27.147 1.00 13.24 C ATOM 341 O PRO A 23 -26.525 13.370 -26.674 1.00 34.32 O ATOM 342 CB PRO A 23 -23.556 14.770 -27.236 1.00 15.32 C ATOM 343 CG PRO A 23 -22.551 14.173 -28.159 1.00 11.43 C ATOM 344 CD PRO A 23 -21.982 12.982 -27.437 1.00 71.24 C ATOM 0 HA PRO A 23 -24.427 13.807 -25.448 1.00 71.34 H new ATOM 0 HB2 PRO A 23 -24.329 15.307 -27.786 1.00 15.32 H new ATOM 0 HB3 PRO A 23 -23.093 15.485 -26.556 1.00 15.32 H new ATOM 0 HG2 PRO A 23 -23.014 13.875 -29.100 1.00 11.43 H new ATOM 0 HG3 PRO A 23 -21.769 14.892 -28.402 1.00 11.43 H new ATOM 0 HD2 PRO A 23 -21.715 12.183 -28.128 1.00 71.24 H new ATOM 0 HD3 PRO A 23 -21.079 13.241 -26.884 1.00 71.24 H new ATOM 352 N GLY A 24 -25.272 12.374 -28.254 1.00 32.20 N ATOM 353 CA GLY A 24 -26.426 11.865 -28.972 1.00 53.04 C ATOM 354 C GLY A 24 -26.654 10.387 -28.730 1.00 33.01 C ATOM 355 O GLY A 24 -26.896 9.627 -29.666 1.00 62.41 O ATOM 0 H GLY A 24 -24.371 12.133 -28.666 1.00 32.20 H new ATOM 0 HA2 GLY A 24 -27.313 12.421 -28.668 1.00 53.04 H new ATOM 0 HA3 GLY A 24 -26.291 12.039 -30.040 1.00 53.04 H new ATOM 359 N GLY A 25 -26.574 9.975 -27.467 1.00 45.03 N ATOM 360 CA GLY A 25 -26.774 8.579 -27.128 1.00 4.23 C ATOM 361 C GLY A 25 -27.583 8.401 -25.859 1.00 22.13 C ATOM 362 O GLY A 25 -28.000 9.378 -25.237 1.00 63.14 O ATOM 0 H GLY A 25 -26.374 10.584 -26.674 1.00 45.03 H new ATOM 0 HA2 GLY A 25 -27.281 8.077 -27.952 1.00 4.23 H new ATOM 0 HA3 GLY A 25 -25.805 8.095 -27.008 1.00 4.23 H new ATOM 366 N LYS A 26 -27.809 7.149 -25.474 1.00 62.21 N ATOM 367 CA LYS A 26 -28.575 6.844 -24.272 1.00 74.43 C ATOM 368 C LYS A 26 -27.869 5.787 -23.431 1.00 32.04 C ATOM 369 O LYS A 26 -28.502 4.865 -22.913 1.00 3.50 O ATOM 370 CB LYS A 26 -29.979 6.362 -24.645 1.00 2.33 C ATOM 371 CG LYS A 26 -30.878 7.461 -25.182 1.00 74.12 C ATOM 372 CD LYS A 26 -32.103 7.658 -24.303 1.00 43.15 C ATOM 373 CE LYS A 26 -32.557 9.110 -24.300 1.00 33.30 C ATOM 374 NZ LYS A 26 -33.917 9.267 -24.887 1.00 21.11 N1+ ATOM 0 H LYS A 26 -27.472 6.329 -25.978 1.00 62.21 H new ATOM 0 HA LYS A 26 -28.657 7.757 -23.682 1.00 74.43 H new ATOM 0 HB2 LYS A 26 -29.896 5.574 -25.394 1.00 2.33 H new ATOM 0 HB3 LYS A 26 -30.447 5.919 -23.766 1.00 2.33 H new ATOM 0 HG2 LYS A 26 -30.318 8.394 -25.242 1.00 74.12 H new ATOM 0 HG3 LYS A 26 -31.192 7.213 -26.196 1.00 74.12 H new ATOM 0 HD2 LYS A 26 -32.914 7.023 -24.659 1.00 43.15 H new ATOM 0 HD3 LYS A 26 -31.876 7.344 -23.284 1.00 43.15 H new ATOM 0 HE2 LYS A 26 -32.557 9.489 -23.278 1.00 33.30 H new ATOM 0 HE3 LYS A 26 -31.846 9.714 -24.864 1.00 33.30 H new ATOM 0 HZ1 LYS A 26 -34.190 10.270 -24.867 1.00 21.11 H new ATOM 0 HZ2 LYS A 26 -33.912 8.929 -25.871 1.00 21.11 H new ATOM 0 HZ3 LYS A 26 -34.600 8.711 -24.334 1.00 21.11 H new ATOM 388 N LYS A 27 -26.554 5.925 -23.295 1.00 64.24 N ATOM 389 CA LYS A 27 -25.761 4.983 -22.514 1.00 20.30 C ATOM 390 C LYS A 27 -25.136 5.670 -21.305 1.00 32.12 C ATOM 391 O LYS A 27 -25.451 6.821 -21.003 1.00 73.25 O ATOM 392 CB LYS A 27 -24.665 4.362 -23.385 1.00 75.52 C ATOM 393 CG LYS A 27 -25.165 3.868 -24.731 1.00 52.31 C ATOM 394 CD LYS A 27 -24.258 2.790 -25.300 1.00 2.01 C ATOM 395 CE LYS A 27 -25.034 1.807 -26.162 1.00 23.45 C ATOM 396 NZ LYS A 27 -25.432 2.406 -27.466 1.00 44.12 N1+ ATOM 0 H LYS A 27 -26.015 6.681 -23.716 1.00 64.24 H new ATOM 0 HA LYS A 27 -26.425 4.195 -22.159 1.00 20.30 H new ATOM 0 HB2 LYS A 27 -23.880 5.100 -23.547 1.00 75.52 H new ATOM 0 HB3 LYS A 27 -24.213 3.529 -22.847 1.00 75.52 H new ATOM 0 HG2 LYS A 27 -26.176 3.475 -24.623 1.00 52.31 H new ATOM 0 HG3 LYS A 27 -25.221 4.704 -25.429 1.00 52.31 H new ATOM 0 HD2 LYS A 27 -23.469 3.252 -25.894 1.00 2.01 H new ATOM 0 HD3 LYS A 27 -23.771 2.255 -24.485 1.00 2.01 H new ATOM 0 HE2 LYS A 27 -24.425 0.921 -26.340 1.00 23.45 H new ATOM 0 HE3 LYS A 27 -25.925 1.479 -25.626 1.00 23.45 H new ATOM 0 HZ1 LYS A 27 -25.959 1.704 -28.024 1.00 44.12 H new ATOM 0 HZ2 LYS A 27 -26.034 3.237 -27.297 1.00 44.12 H new ATOM 0 HZ3 LYS A 27 -24.581 2.696 -27.989 1.00 44.12 H new ATOM 410 N GLN A 28 -24.250 4.958 -20.617 1.00 2.12 N ATOM 411 CA GLN A 28 -23.580 5.501 -19.441 1.00 22.31 C ATOM 412 C GLN A 28 -22.124 5.051 -19.388 1.00 32.13 C ATOM 413 O GLN A 28 -21.727 4.114 -20.081 1.00 54.21 O ATOM 414 CB GLN A 28 -24.308 5.066 -18.168 1.00 10.12 C ATOM 415 CG GLN A 28 -25.446 5.992 -17.771 1.00 70.21 C ATOM 416 CD GLN A 28 -26.478 5.306 -16.897 1.00 62.25 C ATOM 417 OE1 GLN A 28 -26.209 4.971 -15.744 1.00 53.22 O ATOM 418 NE2 GLN A 28 -27.670 5.095 -17.444 1.00 43.42 N ATOM 0 H GLN A 28 -23.979 4.003 -20.853 1.00 2.12 H new ATOM 0 HA GLN A 28 -23.602 6.589 -19.510 1.00 22.31 H new ATOM 0 HB2 GLN A 28 -24.702 4.060 -18.311 1.00 10.12 H new ATOM 0 HB3 GLN A 28 -23.591 5.014 -17.349 1.00 10.12 H new ATOM 0 HG2 GLN A 28 -25.040 6.853 -17.240 1.00 70.21 H new ATOM 0 HG3 GLN A 28 -25.931 6.371 -18.670 1.00 70.21 H new ATOM 0 HE21 GLN A 28 -27.850 5.389 -18.404 1.00 43.42 H new ATOM 0 HE22 GLN A 28 -28.405 4.639 -16.904 1.00 43.42 H new ATOM 427 N TYR A 29 -21.332 5.725 -18.561 1.00 33.41 N ATOM 428 CA TYR A 29 -19.918 5.397 -18.419 1.00 71.54 C ATOM 429 C TYR A 29 -19.722 4.257 -17.425 1.00 0.42 C ATOM 430 O TYR A 29 -20.518 4.074 -16.504 1.00 30.35 O ATOM 431 CB TYR A 29 -19.132 6.627 -17.963 1.00 43.42 C ATOM 432 CG TYR A 29 -18.436 7.353 -19.092 1.00 42.23 C ATOM 433 CD1 TYR A 29 -17.266 6.851 -19.650 1.00 25.25 C ATOM 434 CD2 TYR A 29 -18.946 8.541 -19.600 1.00 32.30 C ATOM 435 CE1 TYR A 29 -16.626 7.511 -20.682 1.00 52.31 C ATOM 436 CE2 TYR A 29 -18.314 9.207 -20.632 1.00 51.31 C ATOM 437 CZ TYR A 29 -17.155 8.688 -21.170 1.00 52.55 C ATOM 438 OH TYR A 29 -16.520 9.350 -22.196 1.00 31.45 O ATOM 0 H TYR A 29 -21.645 6.502 -17.979 1.00 33.41 H new ATOM 0 HA TYR A 29 -19.545 5.076 -19.391 1.00 71.54 H new ATOM 0 HB2 TYR A 29 -19.811 7.317 -17.463 1.00 43.42 H new ATOM 0 HB3 TYR A 29 -18.389 6.321 -17.226 1.00 43.42 H new ATOM 0 HD1 TYR A 29 -16.850 5.929 -19.271 1.00 25.25 H new ATOM 0 HD2 TYR A 29 -19.853 8.951 -19.181 1.00 32.30 H new ATOM 0 HE1 TYR A 29 -15.717 7.108 -21.104 1.00 52.31 H new ATOM 0 HE2 TYR A 29 -18.725 10.129 -21.015 1.00 51.31 H new ATOM 0 HH TYR A 29 -17.120 10.029 -22.568 1.00 31.45 H new ATOM 448 N LYS A 30 -18.652 3.491 -17.619 1.00 32.43 N ATOM 449 CA LYS A 30 -18.347 2.368 -16.740 1.00 63.40 C ATOM 450 C LYS A 30 -16.847 2.278 -16.474 1.00 32.32 C ATOM 451 O LYS A 30 -16.040 2.844 -17.212 1.00 63.33 O ATOM 452 CB LYS A 30 -18.845 1.059 -17.358 1.00 65.21 C ATOM 453 CG LYS A 30 -19.983 0.415 -16.587 1.00 75.44 C ATOM 454 CD LYS A 30 -19.537 -0.861 -15.894 1.00 53.53 C ATOM 455 CE LYS A 30 -20.089 -2.095 -16.590 1.00 20.43 C ATOM 456 NZ LYS A 30 -19.145 -3.244 -16.512 1.00 30.42 N1+ ATOM 0 H LYS A 30 -17.983 3.628 -18.376 1.00 32.43 H new ATOM 0 HA LYS A 30 -18.858 2.532 -15.791 1.00 63.40 H new ATOM 0 HB2 LYS A 30 -19.173 1.251 -18.380 1.00 65.21 H new ATOM 0 HB3 LYS A 30 -18.014 0.356 -17.417 1.00 65.21 H new ATOM 0 HG2 LYS A 30 -20.365 1.118 -15.846 1.00 75.44 H new ATOM 0 HG3 LYS A 30 -20.804 0.192 -17.268 1.00 75.44 H new ATOM 0 HD2 LYS A 30 -18.448 -0.907 -15.879 1.00 53.53 H new ATOM 0 HD3 LYS A 30 -19.870 -0.848 -14.856 1.00 53.53 H new ATOM 0 HE2 LYS A 30 -21.039 -2.374 -16.135 1.00 20.43 H new ATOM 0 HE3 LYS A 30 -20.292 -1.862 -17.635 1.00 20.43 H new ATOM 0 HZ1 LYS A 30 -19.558 -4.066 -16.998 1.00 30.42 H new ATOM 0 HZ2 LYS A 30 -18.247 -2.987 -16.969 1.00 30.42 H new ATOM 0 HZ3 LYS A 30 -18.971 -3.483 -15.515 1.00 30.42 H new ATOM 470 N LEU A 31 -16.481 1.563 -15.416 1.00 72.42 N ATOM 471 CA LEU A 31 -15.078 1.398 -15.054 1.00 14.14 C ATOM 472 C LEU A 31 -14.260 0.912 -16.246 1.00 21.21 C ATOM 473 O LEU A 31 -13.075 1.220 -16.367 1.00 64.12 O ATOM 474 CB LEU A 31 -14.943 0.411 -13.893 1.00 33.22 C ATOM 475 CG LEU A 31 -14.902 1.023 -12.492 1.00 21.32 C ATOM 476 CD1 LEU A 31 -15.695 0.171 -11.513 1.00 0.21 C ATOM 477 CD2 LEU A 31 -13.464 1.181 -12.021 1.00 42.22 C ATOM 0 H LEU A 31 -17.136 1.089 -14.794 1.00 72.42 H new ATOM 0 HA LEU A 31 -14.693 2.370 -14.745 1.00 14.14 H new ATOM 0 HB2 LEU A 31 -15.778 -0.288 -13.938 1.00 33.22 H new ATOM 0 HB3 LEU A 31 -14.033 -0.170 -14.041 1.00 33.22 H new ATOM 0 HG LEU A 31 -15.360 2.011 -12.535 1.00 21.32 H new ATOM 0 HD11 LEU A 31 -15.654 0.622 -10.522 1.00 0.21 H new ATOM 0 HD12 LEU A 31 -16.733 0.110 -11.841 1.00 0.21 H new ATOM 0 HD13 LEU A 31 -15.267 -0.831 -11.473 1.00 0.21 H new ATOM 0 HD21 LEU A 31 -13.454 1.618 -11.022 1.00 42.22 H new ATOM 0 HD22 LEU A 31 -12.980 0.205 -11.995 1.00 42.22 H new ATOM 0 HD23 LEU A 31 -12.926 1.834 -12.708 1.00 42.22 H new ATOM 489 N LYS A 32 -14.902 0.152 -17.127 1.00 61.01 N ATOM 490 CA LYS A 32 -14.237 -0.374 -18.312 1.00 65.11 C ATOM 491 C LYS A 32 -13.541 0.741 -19.085 1.00 65.12 C ATOM 492 O LYS A 32 -12.492 0.527 -19.695 1.00 2.35 O ATOM 493 CB LYS A 32 -15.248 -1.082 -19.217 1.00 44.04 C ATOM 494 CG LYS A 32 -14.628 -2.145 -20.107 1.00 22.42 C ATOM 495 CD LYS A 32 -14.411 -1.633 -21.521 1.00 11.21 C ATOM 496 CE LYS A 32 -15.381 -2.275 -22.502 1.00 53.51 C ATOM 497 NZ LYS A 32 -15.306 -1.644 -23.848 1.00 62.41 N1+ ATOM 0 H LYS A 32 -15.883 -0.113 -17.042 1.00 61.01 H new ATOM 0 HA LYS A 32 -13.484 -1.092 -17.987 1.00 65.11 H new ATOM 0 HB2 LYS A 32 -16.017 -1.543 -18.597 1.00 44.04 H new ATOM 0 HB3 LYS A 32 -15.744 -0.340 -19.843 1.00 44.04 H new ATOM 0 HG2 LYS A 32 -13.675 -2.464 -19.684 1.00 22.42 H new ATOM 0 HG3 LYS A 32 -15.275 -3.022 -20.132 1.00 22.42 H new ATOM 0 HD2 LYS A 32 -14.536 -0.550 -21.540 1.00 11.21 H new ATOM 0 HD3 LYS A 32 -13.387 -1.841 -21.831 1.00 11.21 H new ATOM 0 HE2 LYS A 32 -15.161 -3.339 -22.587 1.00 53.51 H new ATOM 0 HE3 LYS A 32 -16.397 -2.190 -22.117 1.00 53.51 H new ATOM 0 HZ1 LYS A 32 -15.982 -2.109 -24.488 1.00 62.41 H new ATOM 0 HZ2 LYS A 32 -15.541 -0.634 -23.771 1.00 62.41 H new ATOM 0 HZ3 LYS A 32 -14.343 -1.748 -24.227 1.00 62.41 H new ATOM 511 N HIS A 33 -14.129 1.933 -19.055 1.00 4.41 N ATOM 512 CA HIS A 33 -13.563 3.083 -19.752 1.00 42.02 C ATOM 513 C HIS A 33 -12.466 3.737 -18.916 1.00 62.51 C ATOM 514 O HIS A 33 -11.456 4.118 -19.509 1.00 33.01 O ATOM 515 CB HIS A 33 -14.657 4.105 -20.067 1.00 51.13 C ATOM 516 CG HIS A 33 -15.875 3.503 -20.698 1.00 4.41 C ATOM 517 ND1 HIS A 33 -17.134 3.594 -20.144 1.00 3.41 N ATOM 518 CD2 HIS A 33 -16.020 2.799 -21.845 1.00 24.22 C ATOM 519 CE1 HIS A 33 -18.001 2.972 -20.922 1.00 3.33 C ATOM 520 NE2 HIS A 33 -17.350 2.481 -21.962 1.00 13.34 N ATOM 0 H HIS A 33 -14.997 2.128 -18.556 1.00 4.41 H new ATOM 0 HA HIS A 33 -13.125 2.732 -20.686 1.00 42.02 H new ATOM 0 HB2 HIS A 33 -14.947 4.610 -19.146 1.00 51.13 H new ATOM 0 HB3 HIS A 33 -14.251 4.866 -20.733 1.00 51.13 H new ATOM 0 HD2 HIS A 33 -15.235 2.536 -22.539 1.00 24.22 H new ATOM 0 HE1 HIS A 33 -19.061 2.880 -20.739 1.00 3.33 H new ATOM 0 HE2 HIS A 33 -17.768 1.952 -22.727 1.00 13.34 H new ATOM 528 N ILE A 34 -12.630 3.873 -17.606 1.00 35.45 N ATOM 529 CA ILE A 34 -11.610 4.490 -16.767 1.00 3.33 C ATOM 530 C ILE A 34 -10.308 3.695 -16.812 1.00 34.40 C ATOM 531 O ILE A 34 -9.219 4.268 -16.806 1.00 72.23 O ATOM 532 CB ILE A 34 -12.077 4.606 -15.305 1.00 13.42 C ATOM 533 CG1 ILE A 34 -13.366 5.425 -15.222 1.00 72.22 C ATOM 534 CG2 ILE A 34 -10.987 5.235 -14.449 1.00 63.13 C ATOM 535 CD1 ILE A 34 -14.101 5.267 -13.909 1.00 42.44 C ATOM 0 H ILE A 34 -13.461 3.564 -17.101 1.00 35.45 H new ATOM 0 HA ILE A 34 -11.437 5.490 -17.164 1.00 3.33 H new ATOM 0 HB ILE A 34 -12.280 3.605 -14.923 1.00 13.42 H new ATOM 0 HG12 ILE A 34 -13.128 6.478 -15.371 1.00 72.22 H new ATOM 0 HG13 ILE A 34 -14.027 5.130 -16.037 1.00 72.22 H new ATOM 0 HG21 ILE A 34 -11.332 5.310 -13.418 1.00 63.13 H new ATOM 0 HG22 ILE A 34 -10.091 4.615 -14.487 1.00 63.13 H new ATOM 0 HG23 ILE A 34 -10.756 6.231 -14.828 1.00 63.13 H new ATOM 0 HD11 ILE A 34 -15.005 5.876 -13.922 1.00 42.44 H new ATOM 0 HD12 ILE A 34 -14.371 4.221 -13.767 1.00 42.44 H new ATOM 0 HD13 ILE A 34 -13.458 5.590 -13.091 1.00 42.44 H new ATOM 547 N VAL A 35 -10.430 2.372 -16.858 1.00 53.44 N ATOM 548 CA VAL A 35 -9.263 1.498 -16.907 1.00 73.24 C ATOM 549 C VAL A 35 -8.558 1.600 -18.254 1.00 10.51 C ATOM 550 O VAL A 35 -7.329 1.581 -18.325 1.00 51.33 O ATOM 551 CB VAL A 35 -9.651 0.030 -16.651 1.00 34.51 C ATOM 552 CG1 VAL A 35 -8.427 -0.867 -16.736 1.00 4.24 C ATOM 553 CG2 VAL A 35 -10.334 -0.112 -15.300 1.00 34.15 C ATOM 0 H VAL A 35 -11.325 1.882 -16.862 1.00 53.44 H new ATOM 0 HA VAL A 35 -8.585 1.828 -16.120 1.00 73.24 H new ATOM 0 HB VAL A 35 -10.355 -0.282 -17.422 1.00 34.51 H new ATOM 0 HG11 VAL A 35 -8.720 -1.901 -16.552 1.00 4.24 H new ATOM 0 HG12 VAL A 35 -7.985 -0.786 -17.729 1.00 4.24 H new ATOM 0 HG13 VAL A 35 -7.697 -0.558 -15.988 1.00 4.24 H new ATOM 0 HG21 VAL A 35 -10.601 -1.156 -15.135 1.00 34.15 H new ATOM 0 HG22 VAL A 35 -9.656 0.217 -14.513 1.00 34.15 H new ATOM 0 HG23 VAL A 35 -11.235 0.501 -15.282 1.00 34.15 H new ATOM 563 N TRP A 36 -9.342 1.706 -19.320 1.00 74.51 N ATOM 564 CA TRP A 36 -8.792 1.810 -20.667 1.00 35.15 C ATOM 565 C TRP A 36 -7.825 2.985 -20.771 1.00 0.35 C ATOM 566 O TRP A 36 -6.776 2.882 -21.406 1.00 41.21 O ATOM 567 CB TRP A 36 -9.918 1.969 -21.689 1.00 64.52 C ATOM 568 CG TRP A 36 -9.425 2.130 -23.096 1.00 75.31 C ATOM 569 CD1 TRP A 36 -9.029 1.136 -23.944 1.00 23.31 C ATOM 570 CD2 TRP A 36 -9.276 3.359 -23.816 1.00 1.43 C ATOM 571 NE1 TRP A 36 -8.642 1.672 -25.149 1.00 53.13 N ATOM 572 CE2 TRP A 36 -8.784 3.034 -25.096 1.00 52.22 C ATOM 573 CE3 TRP A 36 -9.510 4.701 -23.505 1.00 3.50 C ATOM 574 CZ2 TRP A 36 -8.523 4.003 -26.061 1.00 54.32 C ATOM 575 CZ3 TRP A 36 -9.249 5.662 -24.464 1.00 34.25 C ATOM 576 CH2 TRP A 36 -8.761 5.310 -25.729 1.00 4.14 C ATOM 0 H TRP A 36 -10.361 1.722 -19.278 1.00 74.51 H new ATOM 0 HA TRP A 36 -8.244 0.892 -20.880 1.00 35.15 H new ATOM 0 HB2 TRP A 36 -10.571 1.098 -21.638 1.00 64.52 H new ATOM 0 HB3 TRP A 36 -10.522 2.836 -21.422 1.00 64.52 H new ATOM 0 HD1 TRP A 36 -9.021 0.083 -23.703 1.00 23.31 H new ATOM 0 HE1 TRP A 36 -8.304 1.142 -25.952 1.00 53.13 H new ATOM 0 HE3 TRP A 36 -9.888 4.982 -22.533 1.00 3.50 H new ATOM 0 HZ2 TRP A 36 -8.146 3.733 -27.037 1.00 54.32 H new ATOM 0 HZ3 TRP A 36 -9.424 6.702 -24.234 1.00 34.25 H new ATOM 0 HH2 TRP A 36 -8.569 6.085 -26.457 1.00 4.14 H new ATOM 587 N ALA A 37 -8.184 4.099 -20.142 1.00 22.54 N ATOM 588 CA ALA A 37 -7.347 5.292 -20.162 1.00 1.54 C ATOM 589 C ALA A 37 -6.008 5.033 -19.480 1.00 12.42 C ATOM 590 O ALA A 37 -4.983 5.593 -19.870 1.00 34.43 O ATOM 591 CB ALA A 37 -8.067 6.453 -19.494 1.00 42.24 C ATOM 0 H ALA A 37 -9.050 4.200 -19.612 1.00 22.54 H new ATOM 0 HA ALA A 37 -7.151 5.552 -21.202 1.00 1.54 H new ATOM 0 HB1 ALA A 37 -7.430 7.337 -19.516 1.00 42.24 H new ATOM 0 HB2 ALA A 37 -8.995 6.661 -20.027 1.00 42.24 H new ATOM 0 HB3 ALA A 37 -8.293 6.194 -18.459 1.00 42.24 H new ATOM 597 N SER A 38 -6.023 4.183 -18.458 1.00 22.23 N ATOM 598 CA SER A 38 -4.811 3.853 -17.718 1.00 44.12 C ATOM 599 C SER A 38 -3.847 3.047 -18.585 1.00 35.44 C ATOM 600 O SER A 38 -2.663 3.369 -18.680 1.00 20.12 O ATOM 601 CB SER A 38 -5.158 3.066 -16.453 1.00 40.42 C ATOM 602 OG SER A 38 -5.726 3.911 -15.467 1.00 64.14 O ATOM 0 H SER A 38 -6.862 3.710 -18.123 1.00 22.23 H new ATOM 0 HA SER A 38 -4.323 4.786 -17.434 1.00 44.12 H new ATOM 0 HB2 SER A 38 -5.857 2.267 -16.698 1.00 40.42 H new ATOM 0 HB3 SER A 38 -4.259 2.593 -16.057 1.00 40.42 H new ATOM 0 HG SER A 38 -5.941 3.384 -14.669 1.00 64.14 H new ATOM 608 N ARG A 39 -4.366 1.998 -19.215 1.00 11.33 N ATOM 609 CA ARG A 39 -3.552 1.144 -20.072 1.00 23.42 C ATOM 610 C ARG A 39 -3.037 1.920 -21.280 1.00 2.01 C ATOM 611 O ARG A 39 -2.000 1.582 -21.849 1.00 44.21 O ATOM 612 CB ARG A 39 -4.363 -0.066 -20.539 1.00 32.14 C ATOM 613 CG ARG A 39 -3.637 -1.391 -20.364 1.00 72.23 C ATOM 614 CD ARG A 39 -3.710 -1.881 -18.926 1.00 60.41 C ATOM 615 NE ARG A 39 -4.444 -3.139 -18.814 1.00 52.13 N ATOM 616 CZ ARG A 39 -4.811 -3.673 -17.655 1.00 74.11 C ATOM 617 NH1 ARG A 39 -4.516 -3.063 -16.515 1.00 64.24 N1+ ATOM 618 NH2 ARG A 39 -5.477 -4.821 -17.634 1.00 22.31 N ATOM 0 H ARG A 39 -5.345 1.719 -19.148 1.00 11.33 H new ATOM 0 HA ARG A 39 -2.697 0.798 -19.491 1.00 23.42 H new ATOM 0 HB2 ARG A 39 -5.301 -0.100 -19.985 1.00 32.14 H new ATOM 0 HB3 ARG A 39 -4.618 0.063 -21.591 1.00 32.14 H new ATOM 0 HG2 ARG A 39 -4.075 -2.137 -21.026 1.00 72.23 H new ATOM 0 HG3 ARG A 39 -2.594 -1.277 -20.658 1.00 72.23 H new ATOM 0 HD2 ARG A 39 -2.701 -2.014 -18.537 1.00 60.41 H new ATOM 0 HD3 ARG A 39 -4.193 -1.123 -18.309 1.00 60.41 H new ATOM 0 HE ARG A 39 -4.688 -3.634 -19.672 1.00 52.13 H new ATOM 0 HH11 ARG A 39 -4.005 -2.180 -16.526 1.00 64.24 H new ATOM 0 HH12 ARG A 39 -4.800 -3.477 -15.627 1.00 64.24 H new ATOM 0 HH21 ARG A 39 -5.707 -5.293 -18.508 1.00 22.31 H new ATOM 0 HH22 ARG A 39 -5.759 -5.231 -16.744 1.00 22.31 H new ATOM 632 N GLU A 40 -3.768 2.961 -21.665 1.00 64.13 N ATOM 633 CA GLU A 40 -3.385 3.783 -22.806 1.00 44.04 C ATOM 634 C GLU A 40 -2.433 4.898 -22.378 1.00 64.43 C ATOM 635 O GLU A 40 -1.612 5.366 -23.168 1.00 12.45 O ATOM 636 CB GLU A 40 -4.625 4.384 -23.471 1.00 33.43 C ATOM 637 CG GLU A 40 -4.569 4.370 -24.989 1.00 72.44 C ATOM 638 CD GLU A 40 -4.961 3.028 -25.576 1.00 73.41 C ATOM 639 OE1 GLU A 40 -5.413 2.155 -24.806 1.00 72.11 O ATOM 640 OE2 GLU A 40 -4.816 2.852 -26.804 1.00 14.41 O1- ATOM 0 H GLU A 40 -4.629 3.255 -21.203 1.00 64.13 H new ATOM 0 HA GLU A 40 -2.871 3.144 -23.524 1.00 44.04 H new ATOM 0 HB2 GLU A 40 -5.506 3.832 -23.143 1.00 33.43 H new ATOM 0 HB3 GLU A 40 -4.748 5.412 -23.130 1.00 33.43 H new ATOM 0 HG2 GLU A 40 -5.233 5.141 -25.380 1.00 72.44 H new ATOM 0 HG3 GLU A 40 -3.560 4.623 -25.314 1.00 72.44 H new ATOM 647 N LEU A 41 -2.552 5.318 -21.124 1.00 62.11 N ATOM 648 CA LEU A 41 -1.704 6.379 -20.590 1.00 10.31 C ATOM 649 C LEU A 41 -0.250 5.922 -20.504 1.00 70.11 C ATOM 650 O LEU A 41 0.659 6.631 -20.937 1.00 21.42 O ATOM 651 CB LEU A 41 -2.197 6.806 -19.207 1.00 33.10 C ATOM 652 CG LEU A 41 -3.193 7.966 -19.178 1.00 45.34 C ATOM 653 CD1 LEU A 41 -3.645 8.247 -17.753 1.00 25.13 C ATOM 654 CD2 LEU A 41 -2.576 9.212 -19.798 1.00 30.23 C ATOM 0 H LEU A 41 -3.226 4.941 -20.458 1.00 62.11 H new ATOM 0 HA LEU A 41 -1.760 7.231 -21.268 1.00 10.31 H new ATOM 0 HB2 LEU A 41 -2.660 5.944 -18.726 1.00 33.10 H new ATOM 0 HB3 LEU A 41 -1.332 7.081 -18.604 1.00 33.10 H new ATOM 0 HG LEU A 41 -4.067 7.685 -19.766 1.00 45.34 H new ATOM 0 HD11 LEU A 41 -4.353 9.075 -17.753 1.00 25.13 H new ATOM 0 HD12 LEU A 41 -4.125 7.359 -17.342 1.00 25.13 H new ATOM 0 HD13 LEU A 41 -2.781 8.508 -17.142 1.00 25.13 H new ATOM 0 HD21 LEU A 41 -3.298 10.028 -19.769 1.00 30.23 H new ATOM 0 HD22 LEU A 41 -1.686 9.495 -19.236 1.00 30.23 H new ATOM 0 HD23 LEU A 41 -2.302 9.006 -20.833 1.00 30.23 H new ATOM 666 N GLU A 42 -0.040 4.734 -19.946 1.00 71.31 N ATOM 667 CA GLU A 42 1.303 4.184 -19.806 1.00 62.23 C ATOM 668 C GLU A 42 2.011 4.129 -21.156 1.00 2.43 C ATOM 669 O GLU A 42 3.240 4.166 -21.226 1.00 24.13 O ATOM 670 CB GLU A 42 1.243 2.784 -19.192 1.00 34.41 C ATOM 671 CG GLU A 42 1.693 2.736 -17.741 1.00 31.41 C ATOM 672 CD GLU A 42 2.927 1.878 -17.541 1.00 32.11 C ATOM 673 OE1 GLU A 42 3.940 2.127 -18.226 1.00 30.12 O1- ATOM 674 OE2 GLU A 42 2.878 0.958 -16.698 1.00 4.01 O ATOM 0 H GLU A 42 -0.782 4.135 -19.584 1.00 71.31 H new ATOM 0 HA GLU A 42 1.869 4.839 -19.144 1.00 62.23 H new ATOM 0 HB2 GLU A 42 0.221 2.410 -19.259 1.00 34.41 H new ATOM 0 HB3 GLU A 42 1.868 2.111 -19.780 1.00 34.41 H new ATOM 0 HG2 GLU A 42 1.899 3.749 -17.395 1.00 31.41 H new ATOM 0 HG3 GLU A 42 0.881 2.348 -17.125 1.00 31.41 H new ATOM 681 N ARG A 43 1.228 4.040 -22.226 1.00 25.44 N ATOM 682 CA ARG A 43 1.780 3.977 -23.574 1.00 43.01 C ATOM 683 C ARG A 43 2.326 5.336 -24.001 1.00 64.44 C ATOM 684 O ARG A 43 3.247 5.419 -24.813 1.00 44.34 O ATOM 685 CB ARG A 43 0.711 3.511 -24.564 1.00 70.21 C ATOM 686 CG ARG A 43 1.208 2.465 -25.549 1.00 13.11 C ATOM 687 CD ARG A 43 0.241 1.295 -25.653 1.00 42.34 C ATOM 688 NE ARG A 43 0.530 0.257 -24.669 1.00 3.55 N ATOM 689 CZ ARG A 43 0.032 -0.974 -24.731 1.00 53.44 C ATOM 690 NH1 ARG A 43 -0.775 -1.316 -25.726 1.00 54.31 N1+ ATOM 691 NH2 ARG A 43 0.342 -1.864 -23.797 1.00 74.25 N ATOM 0 H ARG A 43 0.209 4.010 -22.186 1.00 25.44 H new ATOM 0 HA ARG A 43 2.600 3.259 -23.571 1.00 43.01 H new ATOM 0 HB2 ARG A 43 -0.133 3.103 -24.009 1.00 70.21 H new ATOM 0 HB3 ARG A 43 0.341 4.373 -25.119 1.00 70.21 H new ATOM 0 HG2 ARG A 43 1.337 2.920 -26.531 1.00 13.11 H new ATOM 0 HG3 ARG A 43 2.187 2.103 -25.234 1.00 13.11 H new ATOM 0 HD2 ARG A 43 -0.779 1.654 -25.512 1.00 42.34 H new ATOM 0 HD3 ARG A 43 0.294 0.869 -26.655 1.00 42.34 H new ATOM 0 HE ARG A 43 1.148 0.489 -23.891 1.00 3.55 H new ATOM 0 HH11 ARG A 43 -1.015 -0.634 -26.446 1.00 54.31 H new ATOM 0 HH12 ARG A 43 -1.156 -2.261 -25.772 1.00 54.31 H new ATOM 0 HH21 ARG A 43 0.963 -1.604 -23.031 1.00 74.25 H new ATOM 0 HH22 ARG A 43 -0.041 -2.808 -23.845 1.00 74.25 H new ATOM 705 N PHE A 44 1.751 6.400 -23.449 1.00 30.40 N ATOM 706 CA PHE A 44 2.179 7.756 -23.774 1.00 1.13 C ATOM 707 C PHE A 44 3.179 8.272 -22.743 1.00 31.33 C ATOM 708 O PHE A 44 3.305 9.478 -22.536 1.00 71.04 O ATOM 709 CB PHE A 44 0.970 8.692 -23.843 1.00 1.43 C ATOM 710 CG PHE A 44 0.031 8.375 -24.971 1.00 13.33 C ATOM 711 CD1 PHE A 44 0.429 8.537 -26.288 1.00 11.41 C ATOM 712 CD2 PHE A 44 -1.251 7.916 -24.715 1.00 74.21 C ATOM 713 CE1 PHE A 44 -0.433 8.247 -27.328 1.00 35.51 C ATOM 714 CE2 PHE A 44 -2.118 7.624 -25.751 1.00 35.42 C ATOM 715 CZ PHE A 44 -1.708 7.789 -27.059 1.00 21.11 C ATOM 0 H PHE A 44 0.987 6.349 -22.775 1.00 30.40 H new ATOM 0 HA PHE A 44 2.668 7.733 -24.748 1.00 1.13 H new ATOM 0 HB2 PHE A 44 0.425 8.638 -22.901 1.00 1.43 H new ATOM 0 HB3 PHE A 44 1.321 9.718 -23.950 1.00 1.43 H new ATOM 0 HD1 PHE A 44 1.425 8.894 -26.504 1.00 11.41 H new ATOM 0 HD2 PHE A 44 -1.577 7.785 -23.694 1.00 74.21 H new ATOM 0 HE1 PHE A 44 -0.110 8.378 -28.350 1.00 35.51 H new ATOM 0 HE2 PHE A 44 -3.115 7.267 -25.538 1.00 35.42 H new ATOM 0 HZ PHE A 44 -2.383 7.560 -27.870 1.00 21.11 H new ATOM 725 N ALA A 45 3.885 7.349 -22.099 1.00 71.23 N ATOM 726 CA ALA A 45 4.874 7.710 -21.090 1.00 20.40 C ATOM 727 C ALA A 45 4.217 8.394 -19.897 1.00 74.01 C ATOM 728 O ALA A 45 4.869 9.124 -19.149 1.00 22.14 O ATOM 729 CB ALA A 45 5.940 8.610 -21.696 1.00 53.44 C ATOM 0 H ALA A 45 3.791 6.346 -22.258 1.00 71.23 H new ATOM 0 HA ALA A 45 5.346 6.794 -20.735 1.00 20.40 H new ATOM 0 HB1 ALA A 45 6.672 8.872 -20.932 1.00 53.44 H new ATOM 0 HB2 ALA A 45 6.438 8.086 -22.511 1.00 53.44 H new ATOM 0 HB3 ALA A 45 5.475 9.518 -22.079 1.00 53.44 H new ATOM 735 N VAL A 46 2.920 8.154 -19.723 1.00 40.44 N ATOM 736 CA VAL A 46 2.174 8.747 -18.620 1.00 14.40 C ATOM 737 C VAL A 46 1.627 7.672 -17.687 1.00 40.33 C ATOM 738 O VAL A 46 1.005 6.710 -18.131 1.00 13.05 O ATOM 739 CB VAL A 46 1.006 9.610 -19.131 1.00 40.10 C ATOM 740 CG1 VAL A 46 0.215 10.183 -17.966 1.00 75.34 C ATOM 741 CG2 VAL A 46 1.521 10.721 -20.035 1.00 32.05 C ATOM 0 H VAL A 46 2.365 7.553 -20.332 1.00 40.44 H new ATOM 0 HA VAL A 46 2.871 9.381 -18.072 1.00 14.40 H new ATOM 0 HB VAL A 46 0.338 8.977 -19.715 1.00 40.10 H new ATOM 0 HG11 VAL A 46 -0.606 10.790 -18.347 1.00 75.34 H new ATOM 0 HG12 VAL A 46 -0.186 9.368 -17.363 1.00 75.34 H new ATOM 0 HG13 VAL A 46 0.869 10.802 -17.352 1.00 75.34 H new ATOM 0 HG21 VAL A 46 0.682 11.321 -20.387 1.00 32.05 H new ATOM 0 HG22 VAL A 46 2.211 11.354 -19.477 1.00 32.05 H new ATOM 0 HG23 VAL A 46 2.039 10.285 -20.889 1.00 32.05 H new ATOM 751 N ASN A 47 1.864 7.846 -16.391 1.00 12.54 N ATOM 752 CA ASN A 47 1.394 6.891 -15.393 1.00 1.43 C ATOM 753 C ASN A 47 -0.116 6.997 -15.207 1.00 21.24 C ATOM 754 O ASN A 47 -0.696 8.082 -15.239 1.00 61.11 O ATOM 755 CB ASN A 47 2.102 7.127 -14.057 1.00 20.12 C ATOM 756 CG ASN A 47 3.354 6.283 -13.909 1.00 11.10 C ATOM 757 OD1 ASN A 47 4.373 6.547 -14.548 1.00 72.32 O ATOM 758 ND2 ASN A 47 3.282 5.263 -13.063 1.00 14.04 N ATOM 0 H ASN A 47 2.378 8.639 -16.007 1.00 12.54 H new ATOM 0 HA ASN A 47 1.629 5.888 -15.748 1.00 1.43 H new ATOM 0 HB2 ASN A 47 2.365 8.181 -13.970 1.00 20.12 H new ATOM 0 HB3 ASN A 47 1.416 6.901 -13.241 1.00 20.12 H new ATOM 0 HD21 ASN A 47 4.092 4.660 -12.921 1.00 14.04 H new ATOM 0 HD22 ASN A 47 2.416 5.082 -12.555 1.00 14.04 H new ATOM 765 N PRO A 48 -0.770 5.843 -15.006 1.00 3.53 N ATOM 766 CA PRO A 48 -2.221 5.779 -14.810 1.00 55.32 C ATOM 767 C PRO A 48 -2.651 6.369 -13.470 1.00 42.13 C ATOM 768 O PRO A 48 -3.841 6.539 -13.210 1.00 53.52 O ATOM 769 CB PRO A 48 -2.519 4.279 -14.853 1.00 30.32 C ATOM 770 CG PRO A 48 -1.245 3.627 -14.441 1.00 42.41 C ATOM 771 CD PRO A 48 -0.143 4.511 -14.955 1.00 52.35 C ATOM 0 HA PRO A 48 -2.760 6.356 -15.561 1.00 55.32 H new ATOM 0 HB2 PRO A 48 -3.334 4.018 -14.178 1.00 30.32 H new ATOM 0 HB3 PRO A 48 -2.820 3.964 -15.852 1.00 30.32 H new ATOM 0 HG2 PRO A 48 -1.191 3.526 -13.357 1.00 42.41 H new ATOM 0 HG3 PRO A 48 -1.167 2.623 -14.859 1.00 42.41 H new ATOM 0 HD2 PRO A 48 0.723 4.500 -14.293 1.00 52.35 H new ATOM 0 HD3 PRO A 48 0.203 4.192 -15.938 1.00 52.35 H new ATOM 779 N GLY A 49 -1.674 6.681 -12.624 1.00 45.31 N ATOM 780 CA GLY A 49 -1.971 7.250 -11.323 1.00 31.33 C ATOM 781 C GLY A 49 -2.159 8.753 -11.376 1.00 2.30 C ATOM 782 O GLY A 49 -2.186 9.419 -10.341 1.00 10.30 O ATOM 0 H GLY A 49 -0.681 6.550 -12.817 1.00 45.31 H new ATOM 0 HA2 GLY A 49 -2.875 6.788 -10.926 1.00 31.33 H new ATOM 0 HA3 GLY A 49 -1.162 7.012 -10.633 1.00 31.33 H new ATOM 786 N LEU A 50 -2.287 9.289 -12.584 1.00 3.24 N ATOM 787 CA LEU A 50 -2.471 10.724 -12.769 1.00 23.10 C ATOM 788 C LEU A 50 -3.948 11.068 -12.931 1.00 1.25 C ATOM 789 O LEU A 50 -4.374 12.184 -12.629 1.00 23.15 O ATOM 790 CB LEU A 50 -1.687 11.207 -13.990 1.00 5.35 C ATOM 791 CG LEU A 50 -0.169 11.027 -13.928 1.00 53.31 C ATOM 792 CD1 LEU A 50 0.494 11.660 -15.141 1.00 5.03 C ATOM 793 CD2 LEU A 50 0.385 11.625 -12.642 1.00 61.21 C ATOM 0 H LEU A 50 -2.267 8.751 -13.451 1.00 3.24 H new ATOM 0 HA LEU A 50 -2.094 11.230 -11.880 1.00 23.10 H new ATOM 0 HB2 LEU A 50 -2.060 10.679 -14.868 1.00 5.35 H new ATOM 0 HB3 LEU A 50 -1.901 12.265 -14.139 1.00 5.35 H new ATOM 0 HG LEU A 50 0.052 9.960 -13.935 1.00 53.31 H new ATOM 0 HD11 LEU A 50 1.573 11.522 -15.079 1.00 5.03 H new ATOM 0 HD12 LEU A 50 0.119 11.187 -16.049 1.00 5.03 H new ATOM 0 HD13 LEU A 50 0.265 12.725 -15.166 1.00 5.03 H new ATOM 0 HD21 LEU A 50 1.466 11.489 -12.613 1.00 61.21 H new ATOM 0 HD22 LEU A 50 0.152 12.689 -12.606 1.00 61.21 H new ATOM 0 HD23 LEU A 50 -0.066 11.126 -11.785 1.00 61.21 H new ATOM 805 N LEU A 51 -4.726 10.102 -13.407 1.00 1.44 N ATOM 806 CA LEU A 51 -6.157 10.300 -13.608 1.00 11.01 C ATOM 807 C LEU A 51 -6.880 10.432 -12.272 1.00 33.13 C ATOM 808 O LEU A 51 -7.940 11.050 -12.188 1.00 74.45 O ATOM 809 CB LEU A 51 -6.746 9.137 -14.408 1.00 15.34 C ATOM 810 CG LEU A 51 -6.126 8.885 -15.782 1.00 53.24 C ATOM 811 CD1 LEU A 51 -6.359 7.446 -16.217 1.00 42.45 C ATOM 812 CD2 LEU A 51 -6.696 9.853 -16.809 1.00 51.01 C ATOM 0 H LEU A 51 -4.390 9.173 -13.661 1.00 1.44 H new ATOM 0 HA LEU A 51 -6.296 11.224 -14.169 1.00 11.01 H new ATOM 0 HB2 LEU A 51 -6.647 8.228 -13.815 1.00 15.34 H new ATOM 0 HB3 LEU A 51 -7.813 9.317 -14.541 1.00 15.34 H new ATOM 0 HG LEU A 51 -5.051 9.052 -15.711 1.00 53.24 H new ATOM 0 HD11 LEU A 51 -5.911 7.285 -17.197 1.00 42.45 H new ATOM 0 HD12 LEU A 51 -5.904 6.769 -15.494 1.00 42.45 H new ATOM 0 HD13 LEU A 51 -7.430 7.251 -16.272 1.00 42.45 H new ATOM 0 HD21 LEU A 51 -6.244 9.660 -17.782 1.00 51.01 H new ATOM 0 HD22 LEU A 51 -7.775 9.717 -16.877 1.00 51.01 H new ATOM 0 HD23 LEU A 51 -6.478 10.877 -16.505 1.00 51.01 H new ATOM 824 N GLU A 52 -6.298 9.847 -11.228 1.00 64.50 N ATOM 825 CA GLU A 52 -6.888 9.900 -9.896 1.00 50.13 C ATOM 826 C GLU A 52 -6.662 11.268 -9.256 1.00 34.53 C ATOM 827 O GLU A 52 -7.173 11.550 -8.172 1.00 51.02 O ATOM 828 CB GLU A 52 -6.296 8.805 -9.008 1.00 1.24 C ATOM 829 CG GLU A 52 -4.811 8.979 -8.735 1.00 53.04 C ATOM 830 CD GLU A 52 -4.464 8.811 -7.268 1.00 1.22 C ATOM 831 OE1 GLU A 52 -4.193 7.665 -6.852 1.00 50.20 O ATOM 832 OE2 GLU A 52 -4.462 9.823 -6.538 1.00 21.21 O1- ATOM 0 H GLU A 52 -5.419 9.332 -11.280 1.00 64.50 H new ATOM 0 HA GLU A 52 -7.961 9.736 -9.994 1.00 50.13 H new ATOM 0 HB2 GLU A 52 -6.832 8.789 -8.059 1.00 1.24 H new ATOM 0 HB3 GLU A 52 -6.459 7.837 -9.482 1.00 1.24 H new ATOM 0 HG2 GLU A 52 -4.250 8.253 -9.323 1.00 53.04 H new ATOM 0 HG3 GLU A 52 -4.498 9.969 -9.068 1.00 53.04 H new ATOM 839 N THR A 53 -5.894 12.113 -9.936 1.00 15.41 N ATOM 840 CA THR A 53 -5.598 13.449 -9.433 1.00 5.15 C ATOM 841 C THR A 53 -6.109 14.521 -10.389 1.00 4.02 C ATOM 842 O THR A 53 -5.863 14.459 -11.595 1.00 74.12 O ATOM 843 CB THR A 53 -4.086 13.647 -9.220 1.00 2.14 C ATOM 844 OG1 THR A 53 -3.424 13.769 -10.484 1.00 4.21 O ATOM 845 CG2 THR A 53 -3.492 12.483 -8.442 1.00 11.43 C ATOM 0 H THR A 53 -5.466 11.896 -10.836 1.00 15.41 H new ATOM 0 HA THR A 53 -6.108 13.546 -8.475 1.00 5.15 H new ATOM 0 HB THR A 53 -3.940 14.561 -8.644 1.00 2.14 H new ATOM 0 HG1 THR A 53 -3.847 13.170 -11.134 1.00 4.21 H new ATOM 0 HG21 THR A 53 -2.423 12.645 -8.304 1.00 11.43 H new ATOM 0 HG22 THR A 53 -3.977 12.411 -7.468 1.00 11.43 H new ATOM 0 HG23 THR A 53 -3.650 11.557 -8.995 1.00 11.43 H new ATOM 853 N SER A 54 -6.822 15.502 -9.845 1.00 65.12 N ATOM 854 CA SER A 54 -7.370 16.586 -10.651 1.00 63.53 C ATOM 855 C SER A 54 -6.271 17.279 -11.451 1.00 13.34 C ATOM 856 O SER A 54 -6.527 17.856 -12.507 1.00 2.21 O ATOM 857 CB SER A 54 -8.085 17.603 -9.758 1.00 11.33 C ATOM 858 OG SER A 54 -7.195 18.618 -9.329 1.00 51.12 O ATOM 0 H SER A 54 -7.034 15.568 -8.849 1.00 65.12 H new ATOM 0 HA SER A 54 -8.088 16.158 -11.350 1.00 63.53 H new ATOM 0 HB2 SER A 54 -8.916 18.050 -10.304 1.00 11.33 H new ATOM 0 HB3 SER A 54 -8.509 17.096 -8.891 1.00 11.33 H new ATOM 0 HG SER A 54 -7.676 19.256 -8.762 1.00 51.12 H new ATOM 864 N GLU A 55 -5.046 17.217 -10.937 1.00 22.22 N ATOM 865 CA GLU A 55 -3.907 17.838 -11.604 1.00 54.24 C ATOM 866 C GLU A 55 -3.441 16.994 -12.786 1.00 0.42 C ATOM 867 O GLU A 55 -3.220 17.509 -13.881 1.00 1.20 O ATOM 868 CB GLU A 55 -2.755 18.034 -10.615 1.00 41.10 C ATOM 869 CG GLU A 55 -1.870 19.226 -10.940 1.00 25.54 C ATOM 870 CD GLU A 55 -0.640 19.297 -10.057 1.00 13.30 C ATOM 871 OE1 GLU A 55 0.381 18.671 -10.409 1.00 41.43 O1- ATOM 872 OE2 GLU A 55 -0.700 19.980 -9.012 1.00 41.43 O ATOM 0 H GLU A 55 -4.817 16.744 -10.063 1.00 22.22 H new ATOM 0 HA GLU A 55 -4.224 18.811 -11.979 1.00 54.24 H new ATOM 0 HB2 GLU A 55 -3.165 18.159 -9.613 1.00 41.10 H new ATOM 0 HB3 GLU A 55 -2.144 17.132 -10.599 1.00 41.10 H new ATOM 0 HG2 GLU A 55 -1.561 19.170 -11.984 1.00 25.54 H new ATOM 0 HG3 GLU A 55 -2.447 20.144 -10.827 1.00 25.54 H new ATOM 879 N GLY A 56 -3.292 15.693 -12.555 1.00 54.32 N ATOM 880 CA GLY A 56 -2.852 14.798 -13.608 1.00 50.52 C ATOM 881 C GLY A 56 -3.784 14.807 -14.803 1.00 23.41 C ATOM 882 O GLY A 56 -3.335 14.831 -15.950 1.00 52.21 O ATOM 0 H GLY A 56 -3.468 15.243 -11.657 1.00 54.32 H new ATOM 0 HA2 GLY A 56 -1.851 15.085 -13.930 1.00 50.52 H new ATOM 0 HA3 GLY A 56 -2.782 13.784 -13.213 1.00 50.52 H new ATOM 886 N CYS A 57 -5.085 14.785 -14.536 1.00 3.03 N ATOM 887 CA CYS A 57 -6.084 14.787 -15.600 1.00 54.41 C ATOM 888 C CYS A 57 -5.922 16.012 -16.495 1.00 14.25 C ATOM 889 O CYS A 57 -5.964 15.906 -17.720 1.00 50.13 O ATOM 890 CB CYS A 57 -7.493 14.759 -15.004 1.00 5.24 C ATOM 891 SG CYS A 57 -8.301 13.144 -15.098 1.00 24.30 S ATOM 0 H CYS A 57 -5.473 14.766 -13.593 1.00 3.03 H new ATOM 0 HA CYS A 57 -5.936 13.894 -16.207 1.00 54.41 H new ATOM 0 HB2 CYS A 57 -7.441 15.067 -13.960 1.00 5.24 H new ATOM 0 HB3 CYS A 57 -8.110 15.493 -15.522 1.00 5.24 H new ATOM 0 HG CYS A 57 -8.112 12.499 -13.985 1.00 24.30 H new ATOM 897 N ARG A 58 -5.738 17.172 -15.874 1.00 12.34 N ATOM 898 CA ARG A 58 -5.573 18.417 -16.614 1.00 3.33 C ATOM 899 C ARG A 58 -4.292 18.390 -17.442 1.00 50.44 C ATOM 900 O ARG A 58 -4.252 18.908 -18.558 1.00 62.13 O ATOM 901 CB ARG A 58 -5.548 19.607 -15.654 1.00 54.02 C ATOM 902 CG ARG A 58 -6.164 20.870 -16.233 1.00 24.11 C ATOM 903 CD ARG A 58 -5.701 22.110 -15.485 1.00 45.53 C ATOM 904 NE ARG A 58 -4.286 22.393 -15.718 1.00 23.44 N ATOM 905 CZ ARG A 58 -3.601 23.314 -15.052 1.00 75.30 C ATOM 906 NH1 ARG A 58 -4.197 24.038 -14.114 1.00 40.44 N1+ ATOM 907 NH2 ARG A 58 -2.317 23.513 -15.321 1.00 52.04 N ATOM 0 H ARG A 58 -5.699 17.276 -14.860 1.00 12.34 H new ATOM 0 HA ARG A 58 -6.421 18.524 -17.291 1.00 3.33 H new ATOM 0 HB2 ARG A 58 -6.081 19.338 -14.742 1.00 54.02 H new ATOM 0 HB3 ARG A 58 -4.516 19.813 -15.371 1.00 54.02 H new ATOM 0 HG2 ARG A 58 -5.895 20.957 -17.286 1.00 24.11 H new ATOM 0 HG3 ARG A 58 -7.251 20.800 -16.186 1.00 24.11 H new ATOM 0 HD2 ARG A 58 -6.298 22.966 -15.798 1.00 45.53 H new ATOM 0 HD3 ARG A 58 -5.873 21.975 -14.417 1.00 45.53 H new ATOM 0 HE ARG A 58 -3.798 21.853 -16.432 1.00 23.44 H new ATOM 0 HH11 ARG A 58 -5.184 23.887 -13.903 1.00 40.44 H new ATOM 0 HH12 ARG A 58 -3.669 24.745 -13.603 1.00 40.44 H new ATOM 0 HH21 ARG A 58 -1.855 22.958 -16.041 1.00 52.04 H new ATOM 0 HH22 ARG A 58 -1.792 24.221 -14.808 1.00 52.04 H new ATOM 921 N GLN A 59 -3.246 17.786 -16.887 1.00 50.14 N ATOM 922 CA GLN A 59 -1.963 17.694 -17.574 1.00 11.11 C ATOM 923 C GLN A 59 -2.095 16.899 -18.868 1.00 23.11 C ATOM 924 O GLN A 59 -1.585 17.307 -19.912 1.00 4.25 O ATOM 925 CB GLN A 59 -0.920 17.042 -16.665 1.00 1.01 C ATOM 926 CG GLN A 59 0.398 17.798 -16.611 1.00 34.02 C ATOM 927 CD GLN A 59 1.084 17.872 -17.961 1.00 62.12 C ATOM 928 OE1 GLN A 59 1.449 16.850 -18.541 1.00 24.43 O ATOM 929 NE2 GLN A 59 1.263 19.086 -18.468 1.00 5.30 N ATOM 0 H GLN A 59 -3.262 17.353 -15.964 1.00 50.14 H new ATOM 0 HA GLN A 59 -1.638 18.705 -17.821 1.00 11.11 H new ATOM 0 HB2 GLN A 59 -1.327 16.965 -15.657 1.00 1.01 H new ATOM 0 HB3 GLN A 59 -0.732 16.026 -17.012 1.00 1.01 H new ATOM 0 HG2 GLN A 59 0.218 18.808 -16.243 1.00 34.02 H new ATOM 0 HG3 GLN A 59 1.062 17.312 -15.896 1.00 34.02 H new ATOM 0 HE21 GLN A 59 0.944 19.906 -17.952 1.00 5.30 H new ATOM 0 HE22 GLN A 59 1.719 19.198 -19.373 1.00 5.30 H new ATOM 938 N ILE A 60 -2.781 15.764 -18.793 1.00 22.42 N ATOM 939 CA ILE A 60 -2.979 14.913 -19.959 1.00 23.54 C ATOM 940 C ILE A 60 -3.742 15.651 -21.055 1.00 74.20 C ATOM 941 O ILE A 60 -3.460 15.485 -22.242 1.00 62.44 O ATOM 942 CB ILE A 60 -3.744 13.627 -19.595 1.00 74.01 C ATOM 943 CG1 ILE A 60 -2.987 12.845 -18.520 1.00 11.14 C ATOM 944 CG2 ILE A 60 -3.956 12.768 -20.832 1.00 24.43 C ATOM 945 CD1 ILE A 60 -3.872 12.343 -17.401 1.00 75.22 C ATOM 0 H ILE A 60 -3.209 15.412 -17.937 1.00 22.42 H new ATOM 0 HA ILE A 60 -1.988 14.645 -20.325 1.00 23.54 H new ATOM 0 HB ILE A 60 -4.721 13.903 -19.197 1.00 74.01 H new ATOM 0 HG12 ILE A 60 -2.486 11.996 -18.985 1.00 11.14 H new ATOM 0 HG13 ILE A 60 -2.209 13.482 -18.099 1.00 11.14 H new ATOM 0 HG21 ILE A 60 -4.498 11.863 -20.558 1.00 24.43 H new ATOM 0 HG22 ILE A 60 -4.533 13.327 -21.569 1.00 24.43 H new ATOM 0 HG23 ILE A 60 -2.989 12.497 -21.257 1.00 24.43 H new ATOM 0 HD11 ILE A 60 -3.268 11.798 -16.676 1.00 75.22 H new ATOM 0 HD12 ILE A 60 -4.353 13.189 -16.910 1.00 75.22 H new ATOM 0 HD13 ILE A 60 -4.634 11.680 -17.810 1.00 75.22 H new ATOM 957 N LEU A 61 -4.708 16.468 -20.649 1.00 3.41 N ATOM 958 CA LEU A 61 -5.511 17.234 -21.596 1.00 53.41 C ATOM 959 C LEU A 61 -4.671 18.310 -22.276 1.00 43.12 C ATOM 960 O LEU A 61 -4.959 18.719 -23.400 1.00 31.41 O ATOM 961 CB LEU A 61 -6.701 17.876 -20.881 1.00 24.42 C ATOM 962 CG LEU A 61 -7.714 16.911 -20.263 1.00 4.34 C ATOM 963 CD1 LEU A 61 -8.481 17.590 -19.139 1.00 44.21 C ATOM 964 CD2 LEU A 61 -8.670 16.388 -21.325 1.00 3.21 C ATOM 0 H LEU A 61 -4.954 16.617 -19.670 1.00 3.41 H new ATOM 0 HA LEU A 61 -5.879 16.550 -22.360 1.00 53.41 H new ATOM 0 HB2 LEU A 61 -6.319 18.524 -20.092 1.00 24.42 H new ATOM 0 HB3 LEU A 61 -7.225 18.515 -21.592 1.00 24.42 H new ATOM 0 HG LEU A 61 -7.171 16.064 -19.844 1.00 4.34 H new ATOM 0 HD11 LEU A 61 -9.197 16.888 -18.711 1.00 44.21 H new ATOM 0 HD12 LEU A 61 -7.784 17.913 -18.366 1.00 44.21 H new ATOM 0 HD13 LEU A 61 -9.013 18.456 -19.533 1.00 44.21 H new ATOM 0 HD21 LEU A 61 -9.383 15.703 -20.867 1.00 3.21 H new ATOM 0 HD22 LEU A 61 -9.207 17.223 -21.775 1.00 3.21 H new ATOM 0 HD23 LEU A 61 -8.106 15.862 -22.095 1.00 3.21 H new ATOM 976 N GLY A 62 -3.628 18.764 -21.587 1.00 14.22 N ATOM 977 CA GLY A 62 -2.760 19.786 -22.141 1.00 71.14 C ATOM 978 C GLY A 62 -1.990 19.299 -23.353 1.00 61.24 C ATOM 979 O GLY A 62 -1.789 20.047 -24.309 1.00 71.41 O ATOM 0 H GLY A 62 -3.369 18.442 -20.655 1.00 14.22 H new ATOM 0 HA2 GLY A 62 -3.358 20.654 -22.419 1.00 71.14 H new ATOM 0 HA3 GLY A 62 -2.057 20.115 -21.376 1.00 71.14 H new ATOM 983 N GLN A 63 -1.558 18.043 -23.312 1.00 41.42 N ATOM 984 CA GLN A 63 -0.803 17.459 -24.414 1.00 72.21 C ATOM 985 C GLN A 63 -1.734 17.028 -25.543 1.00 61.14 C ATOM 986 O GLN A 63 -1.338 16.991 -26.708 1.00 63.45 O ATOM 987 CB GLN A 63 0.011 16.260 -23.924 1.00 50.44 C ATOM 988 CG GLN A 63 1.490 16.562 -23.746 1.00 72.02 C ATOM 989 CD GLN A 63 1.944 16.431 -22.305 1.00 51.12 C ATOM 990 OE1 GLN A 63 1.622 15.454 -21.628 1.00 72.14 O ATOM 991 NE2 GLN A 63 2.695 17.417 -21.829 1.00 11.21 N ATOM 0 H GLN A 63 -1.718 17.410 -22.528 1.00 41.42 H new ATOM 0 HA GLN A 63 -0.122 18.219 -24.798 1.00 72.21 H new ATOM 0 HB2 GLN A 63 -0.398 15.917 -22.974 1.00 50.44 H new ATOM 0 HB3 GLN A 63 -0.101 15.440 -24.634 1.00 50.44 H new ATOM 0 HG2 GLN A 63 2.073 15.884 -24.369 1.00 72.02 H new ATOM 0 HG3 GLN A 63 1.695 17.573 -24.097 1.00 72.02 H new ATOM 0 HE21 GLN A 63 2.937 18.207 -22.426 1.00 11.21 H new ATOM 0 HE22 GLN A 63 3.030 17.384 -20.866 1.00 11.21 H new ATOM 1000 N LEU A 64 -2.973 16.705 -25.190 1.00 31.13 N ATOM 1001 CA LEU A 64 -3.962 16.276 -26.174 1.00 13.43 C ATOM 1002 C LEU A 64 -4.624 17.478 -26.839 1.00 20.51 C ATOM 1003 O LEU A 64 -5.100 17.388 -27.970 1.00 65.14 O ATOM 1004 CB LEU A 64 -5.023 15.397 -25.510 1.00 70.01 C ATOM 1005 CG LEU A 64 -4.530 14.071 -24.930 1.00 10.44 C ATOM 1006 CD1 LEU A 64 -5.560 13.490 -23.974 1.00 42.23 C ATOM 1007 CD2 LEU A 64 -4.218 13.084 -26.045 1.00 31.14 C ATOM 0 H LEU A 64 -3.317 16.732 -24.230 1.00 31.13 H new ATOM 0 HA LEU A 64 -3.448 15.697 -26.941 1.00 13.43 H new ATOM 0 HB2 LEU A 64 -5.491 15.969 -24.709 1.00 70.01 H new ATOM 0 HB3 LEU A 64 -5.800 15.183 -26.244 1.00 70.01 H new ATOM 0 HG LEU A 64 -3.613 14.260 -24.372 1.00 10.44 H new ATOM 0 HD11 LEU A 64 -5.191 12.547 -23.571 1.00 42.23 H new ATOM 0 HD12 LEU A 64 -5.734 14.190 -23.157 1.00 42.23 H new ATOM 0 HD13 LEU A 64 -6.494 13.316 -24.508 1.00 42.23 H new ATOM 0 HD21 LEU A 64 -3.869 12.146 -25.613 1.00 31.14 H new ATOM 0 HD22 LEU A 64 -5.119 12.900 -26.631 1.00 31.14 H new ATOM 0 HD23 LEU A 64 -3.443 13.497 -26.691 1.00 31.14 H new ATOM 1019 N GLN A 65 -4.648 18.601 -26.130 1.00 73.12 N ATOM 1020 CA GLN A 65 -5.251 19.822 -26.653 1.00 35.24 C ATOM 1021 C GLN A 65 -4.691 20.157 -28.031 1.00 60.40 C ATOM 1022 O GLN A 65 -5.415 20.203 -29.027 1.00 1.40 O ATOM 1023 CB GLN A 65 -5.009 20.988 -25.693 1.00 44.51 C ATOM 1024 CG GLN A 65 -6.249 21.411 -24.924 1.00 34.40 C ATOM 1025 CD GLN A 65 -7.281 22.086 -25.806 1.00 34.01 C ATOM 1026 OE1 GLN A 65 -7.669 21.553 -26.846 1.00 33.24 O ATOM 1027 NE2 GLN A 65 -7.732 23.265 -25.394 1.00 30.52 N ATOM 0 H GLN A 65 -4.257 18.692 -25.192 1.00 73.12 H new ATOM 0 HA GLN A 65 -6.324 19.656 -26.747 1.00 35.24 H new ATOM 0 HB2 GLN A 65 -4.230 20.708 -24.984 1.00 44.51 H new ATOM 0 HB3 GLN A 65 -4.634 21.841 -26.258 1.00 44.51 H new ATOM 0 HG2 GLN A 65 -6.696 20.535 -24.453 1.00 34.40 H new ATOM 0 HG3 GLN A 65 -5.960 22.091 -24.123 1.00 34.40 H new ATOM 0 HE21 GLN A 65 -7.383 23.670 -24.525 1.00 30.52 H new ATOM 0 HE22 GLN A 65 -8.428 23.766 -25.946 1.00 30.52 H new ATOM 1036 N PRO A 66 -3.374 20.399 -28.093 1.00 14.41 N ATOM 1037 CA PRO A 66 -2.688 20.735 -29.344 1.00 4.32 C ATOM 1038 C PRO A 66 -2.616 19.549 -30.301 1.00 42.31 C ATOM 1039 O PRO A 66 -2.360 19.717 -31.493 1.00 64.03 O ATOM 1040 CB PRO A 66 -1.285 21.137 -28.884 1.00 15.53 C ATOM 1041 CG PRO A 66 -1.093 20.425 -27.589 1.00 51.12 C ATOM 1042 CD PRO A 66 -2.451 20.362 -26.946 1.00 32.34 C ATOM 0 HA PRO A 66 -3.209 21.516 -29.897 1.00 4.32 H new ATOM 0 HB2 PRO A 66 -0.530 20.843 -29.613 1.00 15.53 H new ATOM 0 HB3 PRO A 66 -1.204 22.217 -28.758 1.00 15.53 H new ATOM 0 HG2 PRO A 66 -0.690 19.425 -27.749 1.00 51.12 H new ATOM 0 HG3 PRO A 66 -0.384 20.956 -26.953 1.00 51.12 H new ATOM 0 HD2 PRO A 66 -2.576 19.452 -26.359 1.00 32.34 H new ATOM 0 HD3 PRO A 66 -2.615 21.202 -26.271 1.00 32.34 H new ATOM 1050 N SER A 67 -2.842 18.352 -29.772 1.00 73.11 N ATOM 1051 CA SER A 67 -2.799 17.138 -30.578 1.00 44.10 C ATOM 1052 C SER A 67 -4.125 16.917 -31.298 1.00 31.12 C ATOM 1053 O SER A 67 -4.174 16.286 -32.355 1.00 0.24 O ATOM 1054 CB SER A 67 -2.473 15.928 -29.701 1.00 42.35 C ATOM 1055 OG SER A 67 -1.183 16.046 -29.128 1.00 14.22 O ATOM 0 H SER A 67 -3.057 18.196 -28.787 1.00 73.11 H new ATOM 0 HA SER A 67 -2.015 17.256 -31.326 1.00 44.10 H new ATOM 0 HB2 SER A 67 -3.218 15.836 -28.911 1.00 42.35 H new ATOM 0 HB3 SER A 67 -2.527 15.017 -30.298 1.00 42.35 H new ATOM 0 HG SER A 67 -1.258 16.434 -28.231 1.00 14.22 H new ATOM 1061 N LEU A 68 -5.200 17.439 -30.718 1.00 60.23 N ATOM 1062 CA LEU A 68 -6.529 17.299 -31.303 1.00 42.14 C ATOM 1063 C LEU A 68 -6.533 17.748 -32.761 1.00 12.41 C ATOM 1064 O LEU A 68 -7.282 17.219 -33.580 1.00 23.43 O ATOM 1065 CB LEU A 68 -7.547 18.116 -30.505 1.00 13.31 C ATOM 1066 CG LEU A 68 -8.012 17.501 -29.183 1.00 63.14 C ATOM 1067 CD1 LEU A 68 -8.367 18.591 -28.184 1.00 1.31 C ATOM 1068 CD2 LEU A 68 -9.200 16.578 -29.413 1.00 2.23 C ATOM 0 H LEU A 68 -5.177 17.963 -29.843 1.00 60.23 H new ATOM 0 HA LEU A 68 -6.806 16.245 -31.265 1.00 42.14 H new ATOM 0 HB2 LEU A 68 -7.114 19.094 -30.295 1.00 13.31 H new ATOM 0 HB3 LEU A 68 -8.422 18.283 -31.133 1.00 13.31 H new ATOM 0 HG LEU A 68 -7.194 16.911 -28.771 1.00 63.14 H new ATOM 0 HD11 LEU A 68 -8.696 18.135 -27.250 1.00 1.31 H new ATOM 0 HD12 LEU A 68 -7.491 19.212 -27.996 1.00 1.31 H new ATOM 0 HD13 LEU A 68 -9.169 19.208 -28.589 1.00 1.31 H new ATOM 0 HD21 LEU A 68 -9.517 16.150 -28.462 1.00 2.23 H new ATOM 0 HD22 LEU A 68 -10.023 17.145 -29.848 1.00 2.23 H new ATOM 0 HD23 LEU A 68 -8.912 15.777 -30.094 1.00 2.23 H new ATOM 1080 N GLN A 69 -5.689 18.725 -33.076 1.00 0.54 N ATOM 1081 CA GLN A 69 -5.594 19.242 -34.436 1.00 10.31 C ATOM 1082 C GLN A 69 -5.384 18.110 -35.436 1.00 63.22 C ATOM 1083 O GLN A 69 -6.063 18.038 -36.461 1.00 35.10 O ATOM 1084 CB GLN A 69 -4.447 20.251 -34.542 1.00 34.44 C ATOM 1085 CG GLN A 69 -4.836 21.540 -35.246 1.00 43.02 C ATOM 1086 CD GLN A 69 -5.122 21.337 -36.721 1.00 2.11 C ATOM 1087 OE1 GLN A 69 -4.558 20.447 -37.358 1.00 13.24 O ATOM 1088 NE2 GLN A 69 -6.003 22.163 -37.272 1.00 71.13 N ATOM 0 H GLN A 69 -5.062 19.174 -32.409 1.00 0.54 H new ATOM 0 HA GLN A 69 -6.533 19.742 -34.673 1.00 10.31 H new ATOM 0 HB2 GLN A 69 -4.088 20.488 -33.540 1.00 34.44 H new ATOM 0 HB3 GLN A 69 -3.617 19.790 -35.077 1.00 34.44 H new ATOM 0 HG2 GLN A 69 -5.718 21.961 -34.764 1.00 43.02 H new ATOM 0 HG3 GLN A 69 -4.033 22.268 -35.133 1.00 43.02 H new ATOM 0 HE21 GLN A 69 -6.447 22.887 -36.706 1.00 71.13 H new ATOM 0 HE22 GLN A 69 -6.236 22.074 -38.261 1.00 71.13 H new ATOM 1097 N THR A 70 -4.438 17.226 -35.133 1.00 62.12 N ATOM 1098 CA THR A 70 -4.137 16.098 -36.005 1.00 62.33 C ATOM 1099 C THR A 70 -4.134 14.788 -35.227 1.00 4.21 C ATOM 1100 O THR A 70 -3.264 13.939 -35.426 1.00 62.45 O ATOM 1101 CB THR A 70 -2.774 16.274 -36.701 1.00 33.11 C ATOM 1102 OG1 THR A 70 -2.538 15.183 -37.598 1.00 11.02 O ATOM 1103 CG2 THR A 70 -1.650 16.349 -35.678 1.00 23.43 C ATOM 0 H THR A 70 -3.867 17.270 -34.289 1.00 62.12 H new ATOM 0 HA THR A 70 -4.920 16.065 -36.762 1.00 62.33 H new ATOM 0 HB THR A 70 -2.795 17.208 -37.263 1.00 33.11 H new ATOM 0 HG1 THR A 70 -2.729 14.337 -37.142 1.00 11.02 H new ATOM 0 HG21 THR A 70 -0.697 16.473 -36.193 1.00 23.43 H new ATOM 0 HG22 THR A 70 -1.818 17.198 -35.015 1.00 23.43 H new ATOM 0 HG23 THR A 70 -1.629 15.430 -35.093 1.00 23.43 H new ATOM 1111 N GLY A 71 -5.112 14.628 -34.341 1.00 2.31 N ATOM 1112 CA GLY A 71 -5.202 13.416 -33.547 1.00 71.00 C ATOM 1113 C GLY A 71 -5.948 12.308 -34.263 1.00 31.22 C ATOM 1114 O GLY A 71 -6.269 12.429 -35.446 1.00 50.03 O ATOM 0 H GLY A 71 -5.843 15.315 -34.159 1.00 2.31 H new ATOM 0 HA2 GLY A 71 -4.198 13.072 -33.299 1.00 71.00 H new ATOM 0 HA3 GLY A 71 -5.704 13.639 -32.606 1.00 71.00 H new ATOM 1118 N SER A 72 -6.224 11.223 -33.546 1.00 44.41 N ATOM 1119 CA SER A 72 -6.932 10.086 -34.122 1.00 23.22 C ATOM 1120 C SER A 72 -7.985 9.554 -33.155 1.00 50.44 C ATOM 1121 O SER A 72 -8.248 10.158 -32.116 1.00 50.23 O ATOM 1122 CB SER A 72 -5.945 8.973 -34.483 1.00 75.23 C ATOM 1123 OG SER A 72 -5.564 8.237 -33.333 1.00 61.32 O ATOM 0 H SER A 72 -5.968 11.108 -32.565 1.00 44.41 H new ATOM 0 HA SER A 72 -7.435 10.424 -35.028 1.00 23.22 H new ATOM 0 HB2 SER A 72 -6.399 8.303 -35.214 1.00 75.23 H new ATOM 0 HB3 SER A 72 -5.061 9.405 -34.952 1.00 75.23 H new ATOM 0 HG SER A 72 -4.935 7.531 -33.590 1.00 61.32 H new ATOM 1129 N GLU A 73 -8.583 8.420 -33.505 1.00 54.14 N ATOM 1130 CA GLU A 73 -9.607 7.807 -32.668 1.00 54.31 C ATOM 1131 C GLU A 73 -9.113 7.646 -31.234 1.00 34.01 C ATOM 1132 O GLU A 73 -9.886 7.760 -30.284 1.00 33.12 O ATOM 1133 CB GLU A 73 -10.014 6.446 -33.235 1.00 25.13 C ATOM 1134 CG GLU A 73 -11.037 6.534 -34.355 1.00 12.13 C ATOM 1135 CD GLU A 73 -10.521 5.964 -35.663 1.00 73.00 C ATOM 1136 OE1 GLU A 73 -10.593 4.730 -35.840 1.00 53.41 O ATOM 1137 OE2 GLU A 73 -10.047 6.752 -36.507 1.00 44.21 O1- ATOM 0 H GLU A 73 -8.376 7.907 -34.362 1.00 54.14 H new ATOM 0 HA GLU A 73 -10.476 8.464 -32.663 1.00 54.31 H new ATOM 0 HB2 GLU A 73 -9.125 5.936 -33.606 1.00 25.13 H new ATOM 0 HB3 GLU A 73 -10.421 5.834 -32.430 1.00 25.13 H new ATOM 0 HG2 GLU A 73 -11.940 5.998 -34.061 1.00 12.13 H new ATOM 0 HG3 GLU A 73 -11.319 7.576 -34.503 1.00 12.13 H new ATOM 1144 N GLU A 74 -7.819 7.379 -31.086 1.00 32.31 N ATOM 1145 CA GLU A 74 -7.222 7.200 -29.768 1.00 70.04 C ATOM 1146 C GLU A 74 -7.166 8.525 -29.011 1.00 25.10 C ATOM 1147 O GLU A 74 -7.642 8.627 -27.880 1.00 71.02 O ATOM 1148 CB GLU A 74 -5.815 6.614 -29.896 1.00 4.02 C ATOM 1149 CG GLU A 74 -5.779 5.096 -29.834 1.00 52.22 C ATOM 1150 CD GLU A 74 -6.251 4.449 -31.122 1.00 52.14 C ATOM 1151 OE1 GLU A 74 -7.479 4.374 -31.331 1.00 62.51 O ATOM 1152 OE2 GLU A 74 -5.391 4.018 -31.918 1.00 23.32 O1- ATOM 0 H GLU A 74 -7.165 7.282 -31.862 1.00 32.31 H new ATOM 0 HA GLU A 74 -7.847 6.506 -29.206 1.00 70.04 H new ATOM 0 HB2 GLU A 74 -5.379 6.941 -30.840 1.00 4.02 H new ATOM 0 HB3 GLU A 74 -5.189 7.017 -29.100 1.00 4.02 H new ATOM 0 HG2 GLU A 74 -4.762 4.769 -29.619 1.00 52.22 H new ATOM 0 HG3 GLU A 74 -6.405 4.755 -29.009 1.00 52.22 H new ATOM 1159 N LEU A 75 -6.581 9.536 -29.644 1.00 75.33 N ATOM 1160 CA LEU A 75 -6.463 10.856 -29.032 1.00 5.35 C ATOM 1161 C LEU A 75 -7.827 11.379 -28.598 1.00 64.51 C ATOM 1162 O LEU A 75 -8.004 11.813 -27.460 1.00 0.31 O ATOM 1163 CB LEU A 75 -5.814 11.836 -30.010 1.00 42.12 C ATOM 1164 CG LEU A 75 -5.103 13.036 -29.385 1.00 52.24 C ATOM 1165 CD1 LEU A 75 -3.596 12.831 -29.401 1.00 41.24 C ATOM 1166 CD2 LEU A 75 -5.476 14.318 -30.115 1.00 33.21 C ATOM 0 H LEU A 75 -6.181 9.468 -30.580 1.00 75.33 H new ATOM 0 HA LEU A 75 -5.833 10.765 -28.147 1.00 5.35 H new ATOM 0 HB2 LEU A 75 -5.094 11.288 -30.618 1.00 42.12 H new ATOM 0 HB3 LEU A 75 -6.584 12.207 -30.686 1.00 42.12 H new ATOM 0 HG LEU A 75 -5.427 13.125 -28.348 1.00 52.24 H new ATOM 0 HD11 LEU A 75 -3.106 13.695 -28.952 1.00 41.24 H new ATOM 0 HD12 LEU A 75 -3.345 11.936 -28.832 1.00 41.24 H new ATOM 0 HD13 LEU A 75 -3.255 12.715 -30.430 1.00 41.24 H new ATOM 0 HD21 LEU A 75 -4.960 15.161 -29.656 1.00 33.21 H new ATOM 0 HD22 LEU A 75 -5.182 14.239 -31.162 1.00 33.21 H new ATOM 0 HD23 LEU A 75 -6.553 14.473 -30.051 1.00 33.21 H new ATOM 1178 N ARG A 76 -8.791 11.336 -29.514 1.00 13.35 N ATOM 1179 CA ARG A 76 -10.140 11.805 -29.225 1.00 52.30 C ATOM 1180 C ARG A 76 -10.740 11.045 -28.046 1.00 12.03 C ATOM 1181 O ARG A 76 -11.335 11.641 -27.147 1.00 24.14 O ATOM 1182 CB ARG A 76 -11.033 11.645 -30.457 1.00 34.12 C ATOM 1183 CG ARG A 76 -11.250 12.938 -31.224 1.00 72.41 C ATOM 1184 CD ARG A 76 -12.590 13.571 -30.882 1.00 72.52 C ATOM 1185 NE ARG A 76 -13.712 12.718 -31.266 1.00 41.24 N ATOM 1186 CZ ARG A 76 -14.139 12.585 -32.518 1.00 34.13 C ATOM 1187 NH1 ARG A 76 -13.540 13.245 -33.499 1.00 62.54 N1+ ATOM 1188 NH2 ARG A 76 -15.166 11.790 -32.788 1.00 71.32 N ATOM 0 H ARG A 76 -8.662 10.981 -30.461 1.00 13.35 H new ATOM 0 HA ARG A 76 -10.082 12.861 -28.961 1.00 52.30 H new ATOM 0 HB2 ARG A 76 -10.588 10.907 -31.124 1.00 34.12 H new ATOM 0 HB3 ARG A 76 -12.000 11.251 -30.145 1.00 34.12 H new ATOM 0 HG2 ARG A 76 -10.447 13.638 -30.994 1.00 72.41 H new ATOM 0 HG3 ARG A 76 -11.203 12.739 -32.295 1.00 72.41 H new ATOM 0 HD2 ARG A 76 -12.635 13.769 -29.811 1.00 72.52 H new ATOM 0 HD3 ARG A 76 -12.676 14.533 -31.388 1.00 72.52 H new ATOM 0 HE ARG A 76 -14.194 12.196 -30.534 1.00 41.24 H new ATOM 0 HH11 ARG A 76 -12.750 13.856 -33.294 1.00 62.54 H new ATOM 0 HH12 ARG A 76 -13.869 13.141 -34.459 1.00 62.54 H new ATOM 0 HH21 ARG A 76 -15.628 11.281 -32.035 1.00 71.32 H new ATOM 0 HH22 ARG A 76 -15.493 11.688 -33.749 1.00 71.32 H new ATOM 1202 N SER A 77 -10.581 9.725 -28.056 1.00 64.34 N ATOM 1203 CA SER A 77 -11.110 8.883 -26.991 1.00 31.24 C ATOM 1204 C SER A 77 -10.630 9.367 -25.626 1.00 34.24 C ATOM 1205 O SER A 77 -11.431 9.597 -24.719 1.00 32.14 O ATOM 1206 CB SER A 77 -10.689 7.427 -27.206 1.00 54.41 C ATOM 1207 OG SER A 77 -11.478 6.810 -28.208 1.00 55.32 O ATOM 0 H SER A 77 -10.090 9.216 -28.791 1.00 64.34 H new ATOM 0 HA SER A 77 -12.198 8.947 -27.018 1.00 31.24 H new ATOM 0 HB2 SER A 77 -9.638 7.388 -27.491 1.00 54.41 H new ATOM 0 HB3 SER A 77 -10.787 6.875 -26.271 1.00 54.41 H new ATOM 0 HG SER A 77 -11.101 7.009 -29.090 1.00 55.32 H new ATOM 1213 N LEU A 78 -9.318 9.519 -25.487 1.00 61.42 N ATOM 1214 CA LEU A 78 -8.730 9.976 -24.233 1.00 42.03 C ATOM 1215 C LEU A 78 -9.302 11.329 -23.825 1.00 60.24 C ATOM 1216 O LEU A 78 -9.855 11.478 -22.735 1.00 63.22 O ATOM 1217 CB LEU A 78 -7.209 10.072 -24.366 1.00 40.24 C ATOM 1218 CG LEU A 78 -6.406 8.944 -23.717 1.00 22.24 C ATOM 1219 CD1 LEU A 78 -6.720 8.851 -22.233 1.00 30.13 C ATOM 1220 CD2 LEU A 78 -6.693 7.619 -24.409 1.00 3.33 C ATOM 0 H LEU A 78 -8.641 9.333 -26.227 1.00 61.42 H new ATOM 0 HA LEU A 78 -8.976 9.250 -23.458 1.00 42.03 H new ATOM 0 HB2 LEU A 78 -6.958 10.106 -25.426 1.00 40.24 H new ATOM 0 HB3 LEU A 78 -6.885 11.018 -23.932 1.00 40.24 H new ATOM 0 HG LEU A 78 -5.345 9.168 -23.829 1.00 22.24 H new ATOM 0 HD11 LEU A 78 -6.139 8.043 -21.788 1.00 30.13 H new ATOM 0 HD12 LEU A 78 -6.463 9.792 -21.747 1.00 30.13 H new ATOM 0 HD13 LEU A 78 -7.783 8.651 -22.098 1.00 30.13 H new ATOM 0 HD21 LEU A 78 -6.113 6.827 -23.934 1.00 3.33 H new ATOM 0 HD22 LEU A 78 -7.755 7.389 -24.328 1.00 3.33 H new ATOM 0 HD23 LEU A 78 -6.416 7.690 -25.461 1.00 3.33 H new ATOM 1232 N TYR A 79 -9.166 12.314 -24.706 1.00 65.24 N ATOM 1233 CA TYR A 79 -9.669 13.655 -24.438 1.00 71.42 C ATOM 1234 C TYR A 79 -11.135 13.614 -24.016 1.00 22.31 C ATOM 1235 O TYR A 79 -11.597 14.459 -23.251 1.00 63.42 O ATOM 1236 CB TYR A 79 -9.509 14.541 -25.675 1.00 14.42 C ATOM 1237 CG TYR A 79 -9.378 16.013 -25.353 1.00 11.24 C ATOM 1238 CD1 TYR A 79 -8.243 16.507 -24.723 1.00 52.04 C ATOM 1239 CD2 TYR A 79 -10.390 16.907 -25.678 1.00 53.33 C ATOM 1240 CE1 TYR A 79 -8.118 17.852 -24.426 1.00 23.43 C ATOM 1241 CE2 TYR A 79 -10.274 18.253 -25.387 1.00 12.42 C ATOM 1242 CZ TYR A 79 -9.137 18.720 -24.760 1.00 5.01 C ATOM 1243 OH TYR A 79 -9.018 20.060 -24.468 1.00 21.14 O ATOM 0 H TYR A 79 -8.711 12.208 -25.613 1.00 65.24 H new ATOM 0 HA TYR A 79 -9.085 14.076 -23.620 1.00 71.42 H new ATOM 0 HB2 TYR A 79 -8.628 14.219 -26.230 1.00 14.42 H new ATOM 0 HB3 TYR A 79 -10.369 14.396 -26.329 1.00 14.42 H new ATOM 0 HD1 TYR A 79 -7.444 15.829 -24.461 1.00 52.04 H new ATOM 0 HD2 TYR A 79 -11.282 16.544 -26.166 1.00 53.33 H new ATOM 0 HE1 TYR A 79 -7.229 18.220 -23.936 1.00 23.43 H new ATOM 0 HE2 TYR A 79 -11.069 18.936 -25.649 1.00 12.42 H new ATOM 0 HH TYR A 79 -9.821 20.533 -24.770 1.00 21.14 H new ATOM 1253 N ASN A 80 -11.861 12.621 -24.521 1.00 40.11 N ATOM 1254 CA ASN A 80 -13.275 12.467 -24.198 1.00 43.10 C ATOM 1255 C ASN A 80 -13.453 11.942 -22.777 1.00 74.33 C ATOM 1256 O ASN A 80 -14.056 12.604 -21.930 1.00 53.41 O ATOM 1257 CB ASN A 80 -13.946 11.518 -25.193 1.00 13.43 C ATOM 1258 CG ASN A 80 -14.505 12.245 -26.399 1.00 61.54 C ATOM 1259 OD1 ASN A 80 -15.639 12.003 -26.815 1.00 13.31 O ATOM 1260 ND2 ASN A 80 -13.710 13.142 -26.971 1.00 53.31 N ATOM 0 H ASN A 80 -11.493 11.912 -25.155 1.00 40.11 H new ATOM 0 HA ASN A 80 -13.748 13.447 -24.266 1.00 43.10 H new ATOM 0 HB2 ASN A 80 -13.223 10.773 -25.525 1.00 13.43 H new ATOM 0 HB3 ASN A 80 -14.751 10.980 -24.692 1.00 13.43 H new ATOM 0 HD21 ASN A 80 -14.032 13.662 -27.788 1.00 53.31 H new ATOM 0 HD22 ASN A 80 -12.778 13.311 -26.594 1.00 53.31 H new ATOM 1267 N THR A 81 -12.926 10.749 -22.521 1.00 21.41 N ATOM 1268 CA THR A 81 -13.029 10.135 -21.204 1.00 40.41 C ATOM 1269 C THR A 81 -12.459 11.050 -20.125 1.00 3.11 C ATOM 1270 O THR A 81 -13.131 11.356 -19.140 1.00 33.21 O ATOM 1271 CB THR A 81 -12.291 8.784 -21.156 1.00 1.45 C ATOM 1272 OG1 THR A 81 -12.725 7.950 -22.236 1.00 1.41 O ATOM 1273 CG2 THR A 81 -12.542 8.077 -19.832 1.00 14.24 C ATOM 0 H THR A 81 -12.423 10.189 -23.209 1.00 21.41 H new ATOM 0 HA THR A 81 -14.089 9.969 -21.014 1.00 40.41 H new ATOM 0 HB THR A 81 -11.222 8.976 -21.251 1.00 1.45 H new ATOM 0 HG1 THR A 81 -12.250 7.094 -22.199 1.00 1.41 H new ATOM 0 HG21 THR A 81 -12.011 7.125 -19.821 1.00 14.24 H new ATOM 0 HG22 THR A 81 -12.185 8.701 -19.013 1.00 14.24 H new ATOM 0 HG23 THR A 81 -13.610 7.898 -19.712 1.00 14.24 H new ATOM 1281 N ILE A 82 -11.218 11.483 -20.319 1.00 12.32 N ATOM 1282 CA ILE A 82 -10.560 12.365 -19.363 1.00 52.13 C ATOM 1283 C ILE A 82 -11.408 13.600 -19.080 1.00 71.13 C ATOM 1284 O ILE A 82 -11.530 14.034 -17.935 1.00 74.30 O ATOM 1285 CB ILE A 82 -9.175 12.812 -19.868 1.00 20.45 C ATOM 1286 CG1 ILE A 82 -8.288 11.593 -20.131 1.00 55.43 C ATOM 1287 CG2 ILE A 82 -8.520 13.745 -18.862 1.00 45.23 C ATOM 1288 CD1 ILE A 82 -7.055 11.909 -20.949 1.00 62.10 C ATOM 0 H ILE A 82 -10.648 11.238 -21.129 1.00 12.32 H new ATOM 0 HA ILE A 82 -10.435 11.794 -18.443 1.00 52.13 H new ATOM 0 HB ILE A 82 -9.303 13.354 -20.805 1.00 20.45 H new ATOM 0 HG12 ILE A 82 -7.981 11.164 -19.177 1.00 55.43 H new ATOM 0 HG13 ILE A 82 -8.873 10.833 -20.649 1.00 55.43 H new ATOM 0 HG21 ILE A 82 -7.542 14.052 -19.233 1.00 45.23 H new ATOM 0 HG22 ILE A 82 -9.147 14.625 -18.720 1.00 45.23 H new ATOM 0 HG23 ILE A 82 -8.400 13.228 -17.910 1.00 45.23 H new ATOM 0 HD11 ILE A 82 -6.473 10.999 -21.097 1.00 62.10 H new ATOM 0 HD12 ILE A 82 -7.354 12.310 -21.918 1.00 62.10 H new ATOM 0 HD13 ILE A 82 -6.448 12.646 -20.423 1.00 62.10 H new ATOM 1300 N ALA A 83 -11.993 14.163 -20.133 1.00 34.20 N ATOM 1301 CA ALA A 83 -12.834 15.347 -19.998 1.00 4.54 C ATOM 1302 C ALA A 83 -13.995 15.089 -19.045 1.00 54.21 C ATOM 1303 O ALA A 83 -14.533 16.018 -18.440 1.00 12.43 O ATOM 1304 CB ALA A 83 -13.353 15.782 -21.360 1.00 70.05 C ATOM 0 H ALA A 83 -11.900 13.818 -21.089 1.00 34.20 H new ATOM 0 HA ALA A 83 -12.226 16.149 -19.579 1.00 4.54 H new ATOM 0 HB1 ALA A 83 -13.979 16.667 -21.245 1.00 70.05 H new ATOM 0 HB2 ALA A 83 -12.512 16.015 -22.012 1.00 70.05 H new ATOM 0 HB3 ALA A 83 -13.941 14.976 -21.800 1.00 70.05 H new ATOM 1310 N VAL A 84 -14.379 13.823 -18.915 1.00 60.50 N ATOM 1311 CA VAL A 84 -15.478 13.444 -18.034 1.00 41.22 C ATOM 1312 C VAL A 84 -14.981 13.179 -16.618 1.00 51.43 C ATOM 1313 O VAL A 84 -15.653 13.508 -15.639 1.00 64.41 O ATOM 1314 CB VAL A 84 -16.206 12.191 -18.553 1.00 23.24 C ATOM 1315 CG1 VAL A 84 -17.418 11.879 -17.688 1.00 71.34 C ATOM 1316 CG2 VAL A 84 -16.613 12.375 -20.008 1.00 52.34 C ATOM 0 H VAL A 84 -13.946 13.043 -19.408 1.00 60.50 H new ATOM 0 HA VAL A 84 -16.176 14.281 -18.020 1.00 41.22 H new ATOM 0 HB VAL A 84 -15.521 11.345 -18.495 1.00 23.24 H new ATOM 0 HG11 VAL A 84 -17.919 10.990 -18.071 1.00 71.34 H new ATOM 0 HG12 VAL A 84 -17.096 11.701 -16.662 1.00 71.34 H new ATOM 0 HG13 VAL A 84 -18.108 12.723 -17.711 1.00 71.34 H new ATOM 0 HG21 VAL A 84 -17.126 11.480 -20.358 1.00 52.34 H new ATOM 0 HG22 VAL A 84 -17.280 13.233 -20.093 1.00 52.34 H new ATOM 0 HG23 VAL A 84 -15.724 12.545 -20.616 1.00 52.34 H new ATOM 1326 N LEU A 85 -13.797 12.583 -16.514 1.00 64.14 N ATOM 1327 CA LEU A 85 -13.207 12.274 -15.216 1.00 72.32 C ATOM 1328 C LEU A 85 -12.752 13.546 -14.508 1.00 0.11 C ATOM 1329 O LEU A 85 -13.058 13.759 -13.335 1.00 74.21 O ATOM 1330 CB LEU A 85 -12.024 11.319 -15.386 1.00 61.11 C ATOM 1331 CG LEU A 85 -11.731 10.398 -14.201 1.00 45.45 C ATOM 1332 CD1 LEU A 85 -12.831 9.360 -14.045 1.00 65.14 C ATOM 1333 CD2 LEU A 85 -10.378 9.722 -14.375 1.00 41.43 C ATOM 0 H LEU A 85 -13.227 12.304 -17.313 1.00 64.14 H new ATOM 0 HA LEU A 85 -13.969 11.793 -14.603 1.00 72.32 H new ATOM 0 HB2 LEU A 85 -12.205 10.701 -16.265 1.00 61.11 H new ATOM 0 HB3 LEU A 85 -11.132 11.910 -15.591 1.00 61.11 H new ATOM 0 HG LEU A 85 -11.701 11.002 -13.294 1.00 45.45 H new ATOM 0 HD11 LEU A 85 -12.604 8.714 -13.197 1.00 65.14 H new ATOM 0 HD12 LEU A 85 -13.783 9.862 -13.875 1.00 65.14 H new ATOM 0 HD13 LEU A 85 -12.895 8.759 -14.952 1.00 65.14 H new ATOM 0 HD21 LEU A 85 -10.185 9.070 -13.523 1.00 41.43 H new ATOM 0 HD22 LEU A 85 -10.382 9.131 -15.291 1.00 41.43 H new ATOM 0 HD23 LEU A 85 -9.597 10.480 -14.436 1.00 41.43 H new ATOM 1345 N TYR A 86 -12.021 14.389 -15.230 1.00 55.50 N ATOM 1346 CA TYR A 86 -11.522 15.640 -14.670 1.00 20.13 C ATOM 1347 C TYR A 86 -12.654 16.440 -14.033 1.00 41.32 C ATOM 1348 O TYR A 86 -12.543 16.894 -12.894 1.00 74.44 O ATOM 1349 CB TYR A 86 -10.843 16.473 -15.757 1.00 44.52 C ATOM 1350 CG TYR A 86 -10.407 17.843 -15.288 1.00 73.10 C ATOM 1351 CD1 TYR A 86 -9.313 17.996 -14.446 1.00 11.24 C ATOM 1352 CD2 TYR A 86 -11.091 18.985 -15.686 1.00 32.42 C ATOM 1353 CE1 TYR A 86 -8.913 19.245 -14.014 1.00 13.42 C ATOM 1354 CE2 TYR A 86 -10.699 20.239 -15.260 1.00 2.40 C ATOM 1355 CZ TYR A 86 -9.608 20.363 -14.423 1.00 75.43 C ATOM 1356 OH TYR A 86 -9.213 21.611 -13.996 1.00 21.23 O ATOM 0 H TYR A 86 -11.761 14.229 -16.203 1.00 55.50 H new ATOM 0 HA TYR A 86 -10.792 15.399 -13.897 1.00 20.13 H new ATOM 0 HB2 TYR A 86 -9.973 15.931 -16.127 1.00 44.52 H new ATOM 0 HB3 TYR A 86 -11.529 16.587 -16.597 1.00 44.52 H new ATOM 0 HD1 TYR A 86 -8.766 17.123 -14.124 1.00 11.24 H new ATOM 0 HD2 TYR A 86 -11.945 18.890 -16.340 1.00 32.42 H new ATOM 0 HE1 TYR A 86 -8.060 19.345 -13.359 1.00 13.42 H new ATOM 0 HE2 TYR A 86 -11.242 21.116 -15.579 1.00 2.40 H new ATOM 0 HH TYR A 86 -9.808 22.290 -14.376 1.00 21.23 H new ATOM 1366 N CYS A 87 -13.742 16.609 -14.776 1.00 65.33 N ATOM 1367 CA CYS A 87 -14.895 17.356 -14.286 1.00 5.23 C ATOM 1368 C CYS A 87 -15.348 16.826 -12.929 1.00 53.23 C ATOM 1369 O CYS A 87 -15.874 17.573 -12.104 1.00 40.31 O ATOM 1370 CB CYS A 87 -16.047 17.272 -15.289 1.00 4.14 C ATOM 1371 SG CYS A 87 -15.820 18.298 -16.760 1.00 62.14 S ATOM 0 H CYS A 87 -13.850 16.239 -15.720 1.00 65.33 H new ATOM 0 HA CYS A 87 -14.599 18.399 -14.170 1.00 5.23 H new ATOM 0 HB2 CYS A 87 -16.170 16.234 -15.598 1.00 4.14 H new ATOM 0 HB3 CYS A 87 -16.970 17.568 -14.791 1.00 4.14 H new ATOM 0 HG CYS A 87 -15.267 17.592 -17.701 1.00 62.14 H new ATOM 1377 N VAL A 88 -15.140 15.532 -12.705 1.00 71.33 N ATOM 1378 CA VAL A 88 -15.527 14.904 -11.448 1.00 14.24 C ATOM 1379 C VAL A 88 -14.629 15.361 -10.304 1.00 3.23 C ATOM 1380 O VAL A 88 -15.102 15.645 -9.204 1.00 54.51 O ATOM 1381 CB VAL A 88 -15.469 13.367 -11.548 1.00 61.22 C ATOM 1382 CG1 VAL A 88 -16.056 12.728 -10.299 1.00 41.33 C ATOM 1383 CG2 VAL A 88 -16.198 12.887 -12.795 1.00 45.24 C ATOM 0 H VAL A 88 -14.706 14.899 -13.377 1.00 71.33 H new ATOM 0 HA VAL A 88 -16.553 15.210 -11.245 1.00 14.24 H new ATOM 0 HB VAL A 88 -14.425 13.064 -11.625 1.00 61.22 H new ATOM 0 HG11 VAL A 88 -16.006 11.643 -10.388 1.00 41.33 H new ATOM 0 HG12 VAL A 88 -15.487 13.047 -9.426 1.00 41.33 H new ATOM 0 HG13 VAL A 88 -17.096 13.036 -10.187 1.00 41.33 H new ATOM 0 HG21 VAL A 88 -16.147 11.800 -12.850 1.00 45.24 H new ATOM 0 HG22 VAL A 88 -17.241 13.200 -12.750 1.00 45.24 H new ATOM 0 HG23 VAL A 88 -15.728 13.317 -13.679 1.00 45.24 H new ATOM 1393 N HIS A 89 -13.328 15.431 -10.573 1.00 34.22 N ATOM 1394 CA HIS A 89 -12.361 15.856 -9.566 1.00 22.44 C ATOM 1395 C HIS A 89 -12.452 17.360 -9.328 1.00 71.52 C ATOM 1396 O HIS A 89 -12.129 17.776 -8.216 1.00 10.21 O ATOM 1397 CB HIS A 89 -10.944 15.481 -10.000 1.00 52.05 C ATOM 1398 CG HIS A 89 -10.726 14.004 -10.125 1.00 74.04 C ATOM 1399 ND1 HIS A 89 -11.439 13.075 -9.399 1.00 73.10 N ATOM 1400 CD2 HIS A 89 -9.869 13.299 -10.898 1.00 22.12 C ATOM 1401 CE1 HIS A 89 -11.029 11.861 -9.719 1.00 22.32 C ATOM 1402 NE2 HIS A 89 -10.077 11.968 -10.629 1.00 51.53 N ATOM 0 H HIS A 89 -12.920 15.199 -11.479 1.00 34.22 H new ATOM 0 HA HIS A 89 -12.595 15.343 -8.633 1.00 22.44 H new ATOM 0 HB2 HIS A 89 -10.729 15.954 -10.958 1.00 52.05 H new ATOM 0 HB3 HIS A 89 -10.233 15.885 -9.279 1.00 52.05 H new ATOM 0 HD2 HIS A 89 -9.154 13.707 -11.597 1.00 22.12 H new ATOM 0 HE1 HIS A 89 -11.408 10.937 -9.307 1.00 22.32 H new ATOM 0 HE2 HIS A 89 -9.578 11.190 -11.061 1.00 51.53 H new ATOM 1411 N GLN A 90 -12.869 18.157 -10.306 1.00 45.52 N ATOM 1412 CA GLN A 90 -12.970 19.600 -10.125 1.00 40.11 C ATOM 1413 C GLN A 90 -14.281 19.972 -9.438 1.00 4.53 C ATOM 1414 O GLN A 90 -14.297 20.316 -8.256 1.00 2.34 O ATOM 1415 CB GLN A 90 -12.868 20.313 -11.474 1.00 52.15 C ATOM 1416 CG GLN A 90 -11.452 20.734 -11.835 1.00 75.32 C ATOM 1417 CD GLN A 90 -10.817 21.611 -10.774 1.00 10.54 C ATOM 1418 OE1 GLN A 90 -11.399 22.607 -10.344 1.00 50.53 O ATOM 1419 NE2 GLN A 90 -9.615 21.243 -10.344 1.00 44.43 N ATOM 0 H GLN A 90 -13.142 17.828 -11.232 1.00 45.52 H new ATOM 0 HA GLN A 90 -12.144 19.920 -9.490 1.00 40.11 H new ATOM 0 HB2 GLN A 90 -13.252 19.655 -12.253 1.00 52.15 H new ATOM 0 HB3 GLN A 90 -13.508 21.196 -11.458 1.00 52.15 H new ATOM 0 HG2 GLN A 90 -10.839 19.845 -11.981 1.00 75.32 H new ATOM 0 HG3 GLN A 90 -11.467 21.271 -12.784 1.00 75.32 H new ATOM 0 HE21 GLN A 90 -9.169 20.410 -10.728 1.00 44.43 H new ATOM 0 HE22 GLN A 90 -9.138 21.794 -9.630 1.00 44.43 H new ATOM 1428 N ARG A 91 -15.377 19.899 -10.187 1.00 52.34 N ATOM 1429 CA ARG A 91 -16.691 20.230 -9.650 1.00 31.04 C ATOM 1430 C ARG A 91 -17.773 20.047 -10.710 1.00 45.21 C ATOM 1431 O ARG A 91 -18.894 19.642 -10.403 1.00 71.43 O ATOM 1432 CB ARG A 91 -16.708 21.669 -9.132 1.00 12.22 C ATOM 1433 CG ARG A 91 -16.107 22.672 -10.103 1.00 74.04 C ATOM 1434 CD ARG A 91 -16.350 24.103 -9.647 1.00 31.05 C ATOM 1435 NE ARG A 91 -15.170 24.943 -9.828 1.00 24.12 N ATOM 1436 CZ ARG A 91 -15.115 26.220 -9.468 1.00 11.11 C ATOM 1437 NH1 ARG A 91 -16.168 26.801 -8.909 1.00 2.14 N1+ ATOM 1438 NH2 ARG A 91 -14.004 26.919 -9.665 1.00 51.21 N ATOM 0 H ARG A 91 -15.381 19.614 -11.166 1.00 52.34 H new ATOM 0 HA ARG A 91 -16.898 19.552 -8.822 1.00 31.04 H new ATOM 0 HB2 ARG A 91 -17.737 21.957 -8.916 1.00 12.22 H new ATOM 0 HB3 ARG A 91 -16.160 21.714 -8.191 1.00 12.22 H new ATOM 0 HG2 ARG A 91 -15.035 22.495 -10.194 1.00 74.04 H new ATOM 0 HG3 ARG A 91 -16.539 22.526 -11.093 1.00 74.04 H new ATOM 0 HD2 ARG A 91 -17.185 24.525 -10.207 1.00 31.05 H new ATOM 0 HD3 ARG A 91 -16.638 24.104 -8.596 1.00 31.05 H new ATOM 0 HE ARG A 91 -14.342 24.526 -10.254 1.00 24.12 H new ATOM 0 HH11 ARG A 91 -17.023 26.267 -8.755 1.00 2.14 H new ATOM 0 HH12 ARG A 91 -16.123 27.782 -8.633 1.00 2.14 H new ATOM 0 HH21 ARG A 91 -13.192 26.475 -10.093 1.00 51.21 H new ATOM 0 HH22 ARG A 91 -13.963 27.900 -9.388 1.00 51.21 H new ATOM 1452 N ILE A 92 -17.428 20.347 -11.958 1.00 50.33 N ATOM 1453 CA ILE A 92 -18.369 20.215 -13.063 1.00 2.20 C ATOM 1454 C ILE A 92 -19.006 18.830 -13.080 1.00 1.30 C ATOM 1455 O ILE A 92 -18.316 17.817 -12.961 1.00 32.40 O ATOM 1456 CB ILE A 92 -17.684 20.470 -14.419 1.00 73.41 C ATOM 1457 CG1 ILE A 92 -17.058 21.867 -14.443 1.00 20.35 C ATOM 1458 CG2 ILE A 92 -18.684 20.311 -15.555 1.00 73.25 C ATOM 1459 CD1 ILE A 92 -15.547 21.852 -14.377 1.00 22.10 C ATOM 0 H ILE A 92 -16.504 20.683 -12.229 1.00 50.33 H new ATOM 0 HA ILE A 92 -19.144 20.966 -12.910 1.00 2.20 H new ATOM 0 HB ILE A 92 -16.891 19.735 -14.554 1.00 73.41 H new ATOM 0 HG12 ILE A 92 -17.369 22.380 -15.353 1.00 20.35 H new ATOM 0 HG13 ILE A 92 -17.445 22.444 -13.603 1.00 20.35 H new ATOM 0 HG21 ILE A 92 -18.186 20.494 -16.507 1.00 73.25 H new ATOM 0 HG22 ILE A 92 -19.087 19.298 -15.546 1.00 73.25 H new ATOM 0 HG23 ILE A 92 -19.496 21.026 -15.427 1.00 73.25 H new ATOM 0 HD11 ILE A 92 -15.172 22.875 -14.398 1.00 22.10 H new ATOM 0 HD12 ILE A 92 -15.228 21.367 -13.454 1.00 22.10 H new ATOM 0 HD13 ILE A 92 -15.151 21.303 -15.231 1.00 22.10 H new ATOM 1471 N ASP A 93 -20.325 18.793 -13.231 1.00 51.00 N ATOM 1472 CA ASP A 93 -21.056 17.531 -13.268 1.00 51.34 C ATOM 1473 C ASP A 93 -21.745 17.342 -14.615 1.00 25.20 C ATOM 1474 O ASP A 93 -22.965 17.185 -14.684 1.00 0.43 O ATOM 1475 CB ASP A 93 -22.089 17.483 -12.141 1.00 71.32 C ATOM 1476 CG ASP A 93 -21.471 17.722 -10.777 1.00 5.20 C ATOM 1477 OD1 ASP A 93 -20.531 16.984 -10.415 1.00 13.02 O1- ATOM 1478 OD2 ASP A 93 -21.927 18.647 -10.072 1.00 41.41 O ATOM 0 H ASP A 93 -20.911 19.622 -13.330 1.00 51.00 H new ATOM 0 HA ASP A 93 -20.341 16.720 -13.129 1.00 51.34 H new ATOM 0 HB2 ASP A 93 -22.858 18.234 -12.325 1.00 71.32 H new ATOM 0 HB3 ASP A 93 -22.584 16.512 -12.147 1.00 71.32 H new ATOM 1483 N VAL A 94 -20.956 17.357 -15.684 1.00 64.25 N ATOM 1484 CA VAL A 94 -21.490 17.186 -17.031 1.00 54.03 C ATOM 1485 C VAL A 94 -22.364 15.942 -17.121 1.00 30.43 C ATOM 1486 O VAL A 94 -22.158 14.970 -16.395 1.00 3.24 O ATOM 1487 CB VAL A 94 -20.361 17.084 -18.074 1.00 52.23 C ATOM 1488 CG1 VAL A 94 -19.559 18.376 -18.121 1.00 13.41 C ATOM 1489 CG2 VAL A 94 -19.460 15.898 -17.768 1.00 13.51 C ATOM 0 H VAL A 94 -19.945 17.486 -15.644 1.00 64.25 H new ATOM 0 HA VAL A 94 -22.094 18.067 -17.246 1.00 54.03 H new ATOM 0 HB VAL A 94 -20.809 16.927 -19.055 1.00 52.23 H new ATOM 0 HG11 VAL A 94 -18.766 18.285 -18.863 1.00 13.41 H new ATOM 0 HG12 VAL A 94 -20.216 19.203 -18.391 1.00 13.41 H new ATOM 0 HG13 VAL A 94 -19.119 18.567 -17.142 1.00 13.41 H new ATOM 0 HG21 VAL A 94 -18.668 15.841 -18.515 1.00 13.51 H new ATOM 0 HG22 VAL A 94 -19.018 16.022 -16.779 1.00 13.51 H new ATOM 0 HG23 VAL A 94 -20.047 14.980 -17.791 1.00 13.51 H new ATOM 1499 N LYS A 95 -23.344 15.977 -18.019 1.00 4.23 N ATOM 1500 CA LYS A 95 -24.251 14.851 -18.207 1.00 40.33 C ATOM 1501 C LYS A 95 -23.711 13.888 -19.259 1.00 22.22 C ATOM 1502 O LYS A 95 -24.024 12.697 -19.243 1.00 51.41 O ATOM 1503 CB LYS A 95 -25.638 15.350 -18.621 1.00 1.20 C ATOM 1504 CG LYS A 95 -26.267 16.299 -17.616 1.00 31.42 C ATOM 1505 CD LYS A 95 -26.737 15.562 -16.373 1.00 34.53 C ATOM 1506 CE LYS A 95 -28.096 16.063 -15.908 1.00 73.03 C ATOM 1507 NZ LYS A 95 -28.832 15.031 -15.127 1.00 4.22 N1+ ATOM 0 H LYS A 95 -23.530 16.774 -18.628 1.00 4.23 H new ATOM 0 HA LYS A 95 -24.331 14.319 -17.259 1.00 40.33 H new ATOM 0 HB2 LYS A 95 -25.561 15.853 -19.585 1.00 1.20 H new ATOM 0 HB3 LYS A 95 -26.297 14.493 -18.761 1.00 1.20 H new ATOM 0 HG2 LYS A 95 -25.544 17.064 -17.335 1.00 31.42 H new ATOM 0 HG3 LYS A 95 -27.111 16.812 -18.077 1.00 31.42 H new ATOM 0 HD2 LYS A 95 -26.794 14.494 -16.582 1.00 34.53 H new ATOM 0 HD3 LYS A 95 -26.007 15.692 -15.574 1.00 34.53 H new ATOM 0 HE2 LYS A 95 -27.964 16.955 -15.296 1.00 73.03 H new ATOM 0 HE3 LYS A 95 -28.690 16.355 -16.774 1.00 73.03 H new ATOM 0 HZ1 LYS A 95 -29.753 15.412 -14.829 1.00 4.22 H new ATOM 0 HZ2 LYS A 95 -28.981 14.189 -15.719 1.00 4.22 H new ATOM 0 HZ3 LYS A 95 -28.277 14.770 -14.287 1.00 4.22 H new ATOM 1521 N ASP A 96 -22.899 14.410 -20.172 1.00 3.30 N ATOM 1522 CA ASP A 96 -22.313 13.595 -21.230 1.00 24.30 C ATOM 1523 C ASP A 96 -20.869 14.008 -21.498 1.00 22.42 C ATOM 1524 O ASP A 96 -20.367 14.967 -20.911 1.00 33.14 O ATOM 1525 CB ASP A 96 -23.138 13.717 -22.513 1.00 12.05 C ATOM 1526 CG ASP A 96 -23.353 15.158 -22.927 1.00 70.34 C ATOM 1527 OD1 ASP A 96 -24.234 15.820 -22.340 1.00 13.04 O1- ATOM 1528 OD2 ASP A 96 -22.641 15.626 -23.841 1.00 4.42 O ATOM 0 H ASP A 96 -22.632 15.394 -20.201 1.00 3.30 H new ATOM 0 HA ASP A 96 -22.319 12.556 -20.900 1.00 24.30 H new ATOM 0 HB2 ASP A 96 -22.634 13.182 -23.318 1.00 12.05 H new ATOM 0 HB3 ASP A 96 -24.105 13.236 -22.367 1.00 12.05 H new ATOM 1533 N THR A 97 -20.206 13.278 -22.388 1.00 24.20 N ATOM 1534 CA THR A 97 -18.820 13.567 -22.734 1.00 12.42 C ATOM 1535 C THR A 97 -18.697 14.912 -23.441 1.00 15.25 C ATOM 1536 O THR A 97 -17.832 15.722 -23.110 1.00 42.44 O ATOM 1537 CB THR A 97 -18.224 12.469 -23.635 1.00 32.34 C ATOM 1538 OG1 THR A 97 -18.425 11.182 -23.039 1.00 14.21 O ATOM 1539 CG2 THR A 97 -16.738 12.702 -23.862 1.00 21.53 C ATOM 0 H THR A 97 -20.607 12.481 -22.883 1.00 24.20 H new ATOM 0 HA THR A 97 -18.262 13.600 -21.798 1.00 12.42 H new ATOM 0 HB THR A 97 -18.733 12.506 -24.598 1.00 32.34 H new ATOM 0 HG1 THR A 97 -18.707 10.543 -23.727 1.00 14.21 H new ATOM 0 HG21 THR A 97 -16.340 11.914 -24.501 1.00 21.53 H new ATOM 0 HG22 THR A 97 -16.591 13.669 -24.343 1.00 21.53 H new ATOM 0 HG23 THR A 97 -16.217 12.690 -22.904 1.00 21.53 H new ATOM 1547 N LYS A 98 -19.569 15.142 -24.416 1.00 70.44 N ATOM 1548 CA LYS A 98 -19.561 16.391 -25.171 1.00 13.33 C ATOM 1549 C LYS A 98 -19.696 17.590 -24.238 1.00 72.24 C ATOM 1550 O LYS A 98 -18.974 18.577 -24.373 1.00 3.22 O ATOM 1551 CB LYS A 98 -20.697 16.398 -26.196 1.00 2.41 C ATOM 1552 CG LYS A 98 -20.415 17.267 -27.410 1.00 41.11 C ATOM 1553 CD LYS A 98 -20.998 18.660 -27.245 1.00 53.55 C ATOM 1554 CE LYS A 98 -20.441 19.623 -28.282 1.00 44.12 C ATOM 1555 NZ LYS A 98 -21.516 20.432 -28.921 1.00 44.31 N1+ ATOM 0 H LYS A 98 -20.291 14.481 -24.703 1.00 70.44 H new ATOM 0 HA LYS A 98 -18.608 16.465 -25.694 1.00 13.33 H new ATOM 0 HB2 LYS A 98 -20.883 15.376 -26.526 1.00 2.41 H new ATOM 0 HB3 LYS A 98 -21.609 16.748 -25.713 1.00 2.41 H new ATOM 0 HG2 LYS A 98 -19.339 17.338 -27.566 1.00 41.11 H new ATOM 0 HG3 LYS A 98 -20.836 16.798 -28.300 1.00 41.11 H new ATOM 0 HD2 LYS A 98 -22.083 18.614 -27.335 1.00 53.55 H new ATOM 0 HD3 LYS A 98 -20.776 19.032 -26.245 1.00 53.55 H new ATOM 0 HE2 LYS A 98 -19.718 20.288 -27.809 1.00 44.12 H new ATOM 0 HE3 LYS A 98 -19.905 19.062 -29.047 1.00 44.12 H new ATOM 0 HZ1 LYS A 98 -21.096 21.076 -29.621 1.00 44.31 H new ATOM 0 HZ2 LYS A 98 -22.192 19.799 -29.394 1.00 44.31 H new ATOM 0 HZ3 LYS A 98 -22.012 20.987 -28.194 1.00 44.31 H new ATOM 1569 N GLU A 99 -20.626 17.497 -23.293 1.00 74.25 N ATOM 1570 CA GLU A 99 -20.855 18.576 -22.339 1.00 51.15 C ATOM 1571 C GLU A 99 -19.558 18.963 -21.633 1.00 4.12 C ATOM 1572 O GLU A 99 -19.325 20.134 -21.336 1.00 25.12 O ATOM 1573 CB GLU A 99 -21.905 18.160 -21.306 1.00 4.11 C ATOM 1574 CG GLU A 99 -23.306 18.649 -21.632 1.00 41.25 C ATOM 1575 CD GLU A 99 -23.447 20.152 -21.494 1.00 41.03 C ATOM 1576 OE1 GLU A 99 -22.556 20.776 -20.880 1.00 61.34 O ATOM 1577 OE2 GLU A 99 -24.446 20.705 -21.999 1.00 43.41 O1- ATOM 0 H GLU A 99 -21.233 16.687 -23.167 1.00 74.25 H new ATOM 0 HA GLU A 99 -21.221 19.442 -22.891 1.00 51.15 H new ATOM 0 HB2 GLU A 99 -21.917 17.073 -21.230 1.00 4.11 H new ATOM 0 HB3 GLU A 99 -21.613 18.544 -20.329 1.00 4.11 H new ATOM 0 HG2 GLU A 99 -23.561 18.356 -22.650 1.00 41.25 H new ATOM 0 HG3 GLU A 99 -24.021 18.159 -20.971 1.00 41.25 H new ATOM 1584 N ALA A 100 -18.717 17.969 -21.368 1.00 0.22 N ATOM 1585 CA ALA A 100 -17.443 18.204 -20.699 1.00 21.13 C ATOM 1586 C ALA A 100 -16.475 18.953 -21.609 1.00 33.02 C ATOM 1587 O ALA A 100 -15.614 19.697 -21.138 1.00 20.23 O ATOM 1588 CB ALA A 100 -16.832 16.885 -20.249 1.00 35.32 C ATOM 0 H ALA A 100 -18.895 16.993 -21.606 1.00 0.22 H new ATOM 0 HA ALA A 100 -17.630 18.824 -19.822 1.00 21.13 H new ATOM 0 HB1 ALA A 100 -15.881 17.076 -19.751 1.00 35.32 H new ATOM 0 HB2 ALA A 100 -17.511 16.387 -19.557 1.00 35.32 H new ATOM 0 HB3 ALA A 100 -16.666 16.246 -21.116 1.00 35.32 H new ATOM 1594 N LEU A 101 -16.622 18.751 -22.914 1.00 62.33 N ATOM 1595 CA LEU A 101 -15.759 19.408 -23.891 1.00 73.51 C ATOM 1596 C LEU A 101 -16.119 20.885 -24.028 1.00 52.40 C ATOM 1597 O LEU A 101 -15.242 21.749 -24.025 1.00 74.10 O ATOM 1598 CB LEU A 101 -15.875 18.715 -25.250 1.00 74.04 C ATOM 1599 CG LEU A 101 -14.564 18.227 -25.867 1.00 34.14 C ATOM 1600 CD1 LEU A 101 -13.663 19.403 -26.208 1.00 71.12 C ATOM 1601 CD2 LEU A 101 -13.856 17.266 -24.923 1.00 11.04 C ATOM 0 H LEU A 101 -17.329 18.139 -23.320 1.00 62.33 H new ATOM 0 HA LEU A 101 -14.730 19.334 -23.539 1.00 73.51 H new ATOM 0 HB2 LEU A 101 -16.544 17.861 -25.144 1.00 74.04 H new ATOM 0 HB3 LEU A 101 -16.348 19.405 -25.949 1.00 74.04 H new ATOM 0 HG LEU A 101 -14.795 17.695 -26.790 1.00 34.14 H new ATOM 0 HD11 LEU A 101 -12.735 19.035 -26.646 1.00 71.12 H new ATOM 0 HD12 LEU A 101 -14.168 20.054 -26.922 1.00 71.12 H new ATOM 0 HD13 LEU A 101 -13.439 19.964 -25.301 1.00 71.12 H new ATOM 0 HD21 LEU A 101 -12.925 16.929 -25.378 1.00 11.04 H new ATOM 0 HD22 LEU A 101 -13.638 17.774 -23.983 1.00 11.04 H new ATOM 0 HD23 LEU A 101 -14.498 16.406 -24.730 1.00 11.04 H new ATOM 1613 N ASP A 102 -17.412 21.166 -24.146 1.00 3.25 N ATOM 1614 CA ASP A 102 -17.887 22.537 -24.280 1.00 60.24 C ATOM 1615 C ASP A 102 -17.556 23.352 -23.033 1.00 2.31 C ATOM 1616 O ASP A 102 -17.349 24.564 -23.107 1.00 32.03 O ATOM 1617 CB ASP A 102 -19.395 22.555 -24.531 1.00 14.25 C ATOM 1618 CG ASP A 102 -19.821 23.706 -25.421 1.00 25.44 C ATOM 1619 OD1 ASP A 102 -19.588 23.627 -26.646 1.00 0.50 O ATOM 1620 OD2 ASP A 102 -20.389 24.685 -24.894 1.00 12.31 O1- ATOM 0 H ASP A 102 -18.150 20.462 -24.152 1.00 3.25 H new ATOM 0 HA ASP A 102 -17.380 22.989 -25.132 1.00 60.24 H new ATOM 0 HB2 ASP A 102 -19.695 21.614 -24.991 1.00 14.25 H new ATOM 0 HB3 ASP A 102 -19.918 22.624 -23.577 1.00 14.25 H new ATOM 1625 N LYS A 103 -17.508 22.679 -21.889 1.00 34.12 N ATOM 1626 CA LYS A 103 -17.203 23.339 -20.625 1.00 22.02 C ATOM 1627 C LYS A 103 -15.739 23.761 -20.572 1.00 54.21 C ATOM 1628 O LYS A 103 -15.429 24.940 -20.400 1.00 74.04 O ATOM 1629 CB LYS A 103 -17.519 22.409 -19.451 1.00 30.44 C ATOM 1630 CG LYS A 103 -18.248 23.097 -18.310 1.00 15.32 C ATOM 1631 CD LYS A 103 -19.708 22.682 -18.249 1.00 54.40 C ATOM 1632 CE LYS A 103 -20.518 23.623 -17.369 1.00 21.31 C ATOM 1633 NZ LYS A 103 -21.905 23.124 -17.154 1.00 5.15 N1+ ATOM 0 H LYS A 103 -17.677 21.676 -21.811 1.00 34.12 H new ATOM 0 HA LYS A 103 -17.824 24.232 -20.551 1.00 22.02 H new ATOM 0 HB2 LYS A 103 -18.126 21.578 -19.810 1.00 30.44 H new ATOM 0 HB3 LYS A 103 -16.589 21.985 -19.073 1.00 30.44 H new ATOM 0 HG2 LYS A 103 -17.760 22.853 -17.366 1.00 15.32 H new ATOM 0 HG3 LYS A 103 -18.181 24.178 -18.434 1.00 15.32 H new ATOM 0 HD2 LYS A 103 -20.127 22.672 -19.255 1.00 54.40 H new ATOM 0 HD3 LYS A 103 -19.783 21.666 -17.862 1.00 54.40 H new ATOM 0 HE2 LYS A 103 -20.020 23.739 -16.406 1.00 21.31 H new ATOM 0 HE3 LYS A 103 -20.554 24.610 -17.830 1.00 21.31 H new ATOM 0 HZ1 LYS A 103 -22.425 23.792 -16.550 1.00 5.15 H new ATOM 0 HZ2 LYS A 103 -22.389 23.038 -18.071 1.00 5.15 H new ATOM 0 HZ3 LYS A 103 -21.871 22.193 -16.691 1.00 5.15 H new ATOM 1647 N ILE A 104 -14.842 22.792 -20.722 1.00 11.50 N ATOM 1648 CA ILE A 104 -13.410 23.065 -20.693 1.00 30.35 C ATOM 1649 C ILE A 104 -13.008 24.009 -21.821 1.00 60.41 C ATOM 1650 O ILE A 104 -12.079 24.802 -21.677 1.00 62.13 O ATOM 1651 CB ILE A 104 -12.588 21.768 -20.806 1.00 42.43 C ATOM 1652 CG1 ILE A 104 -12.949 20.808 -19.671 1.00 30.13 C ATOM 1653 CG2 ILE A 104 -11.099 22.081 -20.787 1.00 53.34 C ATOM 1654 CD1 ILE A 104 -12.432 19.402 -19.879 1.00 44.32 C ATOM 0 H ILE A 104 -15.082 21.811 -20.865 1.00 11.50 H new ATOM 0 HA ILE A 104 -13.197 23.538 -19.734 1.00 30.35 H new ATOM 0 HB ILE A 104 -12.827 21.286 -21.754 1.00 42.43 H new ATOM 0 HG12 ILE A 104 -12.549 21.198 -18.735 1.00 30.13 H new ATOM 0 HG13 ILE A 104 -14.033 20.775 -19.565 1.00 30.13 H new ATOM 0 HG21 ILE A 104 -10.531 21.154 -20.868 1.00 53.34 H new ATOM 0 HG22 ILE A 104 -10.853 22.731 -21.627 1.00 53.34 H new ATOM 0 HG23 ILE A 104 -10.844 22.582 -19.853 1.00 53.34 H new ATOM 0 HD11 ILE A 104 -12.726 18.778 -19.035 1.00 44.32 H new ATOM 0 HD12 ILE A 104 -12.852 18.992 -20.797 1.00 44.32 H new ATOM 0 HD13 ILE A 104 -11.345 19.422 -19.955 1.00 44.32 H new ATOM 1666 N GLU A 105 -13.717 23.917 -22.942 1.00 42.54 N ATOM 1667 CA GLU A 105 -13.433 24.765 -24.095 1.00 3.43 C ATOM 1668 C GLU A 105 -13.716 26.230 -23.776 1.00 32.44 C ATOM 1669 O GLU A 105 -12.889 27.102 -24.033 1.00 63.51 O ATOM 1670 CB GLU A 105 -14.267 24.321 -25.299 1.00 54.25 C ATOM 1671 CG GLU A 105 -13.602 23.243 -26.137 1.00 50.00 C ATOM 1672 CD GLU A 105 -13.204 23.738 -27.514 1.00 23.51 C ATOM 1673 OE1 GLU A 105 -12.550 24.798 -27.599 1.00 35.10 O1- ATOM 1674 OE2 GLU A 105 -13.547 23.064 -28.508 1.00 10.12 O ATOM 0 H GLU A 105 -14.490 23.266 -23.076 1.00 42.54 H new ATOM 0 HA GLU A 105 -12.375 24.663 -24.338 1.00 3.43 H new ATOM 0 HB2 GLU A 105 -15.230 23.952 -24.947 1.00 54.25 H new ATOM 0 HB3 GLU A 105 -14.468 25.187 -25.930 1.00 54.25 H new ATOM 0 HG2 GLU A 105 -12.717 22.878 -25.616 1.00 50.00 H new ATOM 0 HG3 GLU A 105 -14.282 22.398 -26.241 1.00 50.00 H new