USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 TYR OH : rot 169:sc= 1.18 USER MOD Set 1.2: A 97 THR OG1 : rot 148:sc= 1.86 USER MOD Single : A 9 SER OG : rot 180:sc= -0.114 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0523) 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 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -163:sc=-0.00277 (180deg=-0.108) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -2.07! C(o=-2.1!,f=-9!) USER MOD Single : A 38 SER OG : rot 73:sc= 0.828 USER MOD Single : A 47 ASN : amide:sc= -0.256 K(o=-0.26,f=-1.9!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.576 USER MOD Single : A 54 SER OG : rot 180:sc= -0.334 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.331 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : A 67 SER OG : rot 102:sc= 0.571 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0875 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.53 USER MOD Single : A 80 ASN : amide:sc= -0.913 K(o=-0.91,f=-1.9) USER MOD Single : A 81 THR OG1 : rot 72:sc= 0.0472 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 81:sc= 0.00554 USER MOD Single : A 89 HIS : no HD1:sc= -1.79! C(o=-1.1!,f=-5.9!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 171:sc=-0.00137 (180deg=-0.0528) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 15.001 -2.323 4.361 1.00 45.11 N ATOM 64 CA VAL A 7 15.459 -3.693 4.161 1.00 23.22 C ATOM 65 C VAL A 7 14.673 -4.668 5.030 1.00 32.31 C ATOM 66 O VAL A 7 13.888 -5.472 4.526 1.00 61.41 O ATOM 67 CB VAL A 7 16.960 -3.834 4.478 1.00 61.52 C ATOM 68 CG1 VAL A 7 17.433 -5.254 4.203 1.00 1.33 C ATOM 69 CG2 VAL A 7 17.771 -2.829 3.676 1.00 62.20 C ATOM 0 HA VAL A 7 15.293 -3.933 3.111 1.00 23.22 H new ATOM 0 HB VAL A 7 17.111 -3.625 5.537 1.00 61.52 H new ATOM 0 HG11 VAL A 7 18.495 -5.334 4.433 1.00 1.33 H new ATOM 0 HG12 VAL A 7 16.873 -5.951 4.826 1.00 1.33 H new ATOM 0 HG13 VAL A 7 17.270 -5.495 3.153 1.00 1.33 H new ATOM 0 HG21 VAL A 7 18.829 -2.943 3.913 1.00 62.20 H new ATOM 0 HG22 VAL A 7 17.617 -3.004 2.611 1.00 62.20 H new ATOM 0 HG23 VAL A 7 17.450 -1.818 3.928 1.00 62.20 H new ATOM 79 N LEU A 8 14.888 -4.591 6.339 1.00 62.34 N ATOM 80 CA LEU A 8 14.199 -5.467 7.281 1.00 11.40 C ATOM 81 C LEU A 8 12.999 -4.760 7.903 1.00 32.15 C ATOM 82 O LEU A 8 13.038 -3.556 8.155 1.00 32.21 O ATOM 83 CB LEU A 8 15.160 -5.926 8.378 1.00 65.32 C ATOM 84 CG LEU A 8 16.223 -6.942 7.956 1.00 73.03 C ATOM 85 CD1 LEU A 8 17.268 -7.105 9.049 1.00 62.25 C ATOM 86 CD2 LEU A 8 15.580 -8.281 7.627 1.00 54.24 C ATOM 0 H LEU A 8 15.534 -3.931 6.772 1.00 62.34 H new ATOM 0 HA LEU A 8 13.841 -6.339 6.733 1.00 11.40 H new ATOM 0 HB2 LEU A 8 15.665 -5.048 8.782 1.00 65.32 H new ATOM 0 HB3 LEU A 8 14.574 -6.358 9.189 1.00 65.32 H new ATOM 0 HG LEU A 8 16.719 -6.570 7.060 1.00 73.03 H new ATOM 0 HD11 LEU A 8 18.016 -7.831 8.732 1.00 62.25 H new ATOM 0 HD12 LEU A 8 17.750 -6.146 9.237 1.00 62.25 H new ATOM 0 HD13 LEU A 8 16.787 -7.455 9.963 1.00 62.25 H new ATOM 0 HD21 LEU A 8 16.351 -8.991 7.329 1.00 54.24 H new ATOM 0 HD22 LEU A 8 15.058 -8.660 8.506 1.00 54.24 H new ATOM 0 HD23 LEU A 8 14.870 -8.153 6.810 1.00 54.24 H new ATOM 98 N SER A 9 11.935 -5.517 8.150 1.00 33.41 N ATOM 99 CA SER A 9 10.723 -4.963 8.743 1.00 43.30 C ATOM 100 C SER A 9 10.796 -5.004 10.265 1.00 73.24 C ATOM 101 O SER A 9 11.837 -5.315 10.841 1.00 61.10 O ATOM 102 CB SER A 9 9.495 -5.735 8.257 1.00 32.11 C ATOM 103 OG SER A 9 9.195 -6.814 9.126 1.00 5.41 O ATOM 0 H SER A 9 11.887 -6.516 7.949 1.00 33.41 H new ATOM 0 HA SER A 9 10.636 -3.923 8.430 1.00 43.30 H new ATOM 0 HB2 SER A 9 8.639 -5.063 8.197 1.00 32.11 H new ATOM 0 HB3 SER A 9 9.674 -6.113 7.251 1.00 32.11 H new ATOM 0 HG SER A 9 8.405 -7.291 8.795 1.00 5.41 H new ATOM 109 N GLY A 10 9.678 -4.687 10.914 1.00 10.40 N ATOM 110 CA GLY A 10 9.635 -4.693 12.364 1.00 21.21 C ATOM 111 C GLY A 10 9.952 -6.056 12.947 1.00 30.41 C ATOM 112 O GLY A 10 10.821 -6.183 13.809 1.00 35.44 O ATOM 0 H GLY A 10 8.802 -4.426 10.460 1.00 10.40 H new ATOM 0 HA2 GLY A 10 10.346 -3.962 12.749 1.00 21.21 H new ATOM 0 HA3 GLY A 10 8.645 -4.380 12.697 1.00 21.21 H new ATOM 116 N GLY A 11 9.243 -7.079 12.479 1.00 44.50 N ATOM 117 CA GLY A 11 9.467 -8.425 12.972 1.00 23.21 C ATOM 118 C GLY A 11 10.859 -8.935 12.655 1.00 41.01 C ATOM 119 O GLY A 11 11.489 -9.594 13.481 1.00 1.22 O ATOM 0 H GLY A 11 8.517 -6.999 11.767 1.00 44.50 H new ATOM 0 HA2 GLY A 11 9.314 -8.443 14.051 1.00 23.21 H new ATOM 0 HA3 GLY A 11 8.729 -9.097 12.534 1.00 23.21 H new ATOM 123 N GLU A 12 11.339 -8.632 11.452 1.00 12.30 N ATOM 124 CA GLU A 12 12.664 -9.067 11.028 1.00 5.32 C ATOM 125 C GLU A 12 13.752 -8.357 11.827 1.00 64.44 C ATOM 126 O GLU A 12 14.762 -8.961 12.194 1.00 32.00 O ATOM 127 CB GLU A 12 12.858 -8.799 9.533 1.00 61.32 C ATOM 128 CG GLU A 12 11.685 -9.247 8.677 1.00 13.31 C ATOM 129 CD GLU A 12 11.936 -9.050 7.195 1.00 70.34 C ATOM 130 OE1 GLU A 12 12.475 -9.978 6.556 1.00 13.30 O ATOM 131 OE2 GLU A 12 11.593 -7.968 6.673 1.00 21.33 O ATOM 0 H GLU A 12 10.830 -8.088 10.755 1.00 12.30 H new ATOM 0 HA GLU A 12 12.743 -10.138 11.212 1.00 5.32 H new ATOM 0 HB2 GLU A 12 13.020 -7.732 9.382 1.00 61.32 H new ATOM 0 HB3 GLU A 12 13.760 -9.310 9.195 1.00 61.32 H new ATOM 0 HG2 GLU A 12 11.480 -10.300 8.870 1.00 13.31 H new ATOM 0 HG3 GLU A 12 10.794 -8.690 8.968 1.00 13.31 H new ATOM 138 N LEU A 13 13.541 -7.074 12.094 1.00 54.03 N ATOM 139 CA LEU A 13 14.503 -6.280 12.851 1.00 70.50 C ATOM 140 C LEU A 13 14.838 -6.952 14.179 1.00 74.45 C ATOM 141 O LEU A 13 15.994 -6.970 14.603 1.00 74.00 O ATOM 142 CB LEU A 13 13.951 -4.876 13.102 1.00 34.14 C ATOM 143 CG LEU A 13 14.949 -3.848 13.634 1.00 2.31 C ATOM 144 CD1 LEU A 13 16.047 -3.590 12.613 1.00 43.21 C ATOM 145 CD2 LEU A 13 14.239 -2.551 13.994 1.00 1.24 C ATOM 0 H LEU A 13 12.711 -6.560 11.797 1.00 54.03 H new ATOM 0 HA LEU A 13 15.417 -6.204 12.262 1.00 70.50 H new ATOM 0 HB2 LEU A 13 13.534 -4.499 12.168 1.00 34.14 H new ATOM 0 HB3 LEU A 13 13.126 -4.953 13.811 1.00 34.14 H new ATOM 0 HG LEU A 13 15.408 -4.251 14.537 1.00 2.31 H new ATOM 0 HD11 LEU A 13 16.748 -2.855 13.010 1.00 43.21 H new ATOM 0 HD12 LEU A 13 16.576 -4.520 12.404 1.00 43.21 H new ATOM 0 HD13 LEU A 13 15.605 -3.209 11.692 1.00 43.21 H new ATOM 0 HD21 LEU A 13 14.965 -1.831 14.371 1.00 1.24 H new ATOM 0 HD22 LEU A 13 13.752 -2.145 13.108 1.00 1.24 H new ATOM 0 HD23 LEU A 13 13.490 -2.747 14.762 1.00 1.24 H new ATOM 157 N ASP A 14 13.820 -7.505 14.829 1.00 31.21 N ATOM 158 CA ASP A 14 14.007 -8.181 16.108 1.00 62.21 C ATOM 159 C ASP A 14 15.019 -9.315 15.981 1.00 65.11 C ATOM 160 O ASP A 14 15.998 -9.375 16.725 1.00 3.33 O ATOM 161 CB ASP A 14 12.673 -8.728 16.620 1.00 11.12 C ATOM 162 CG ASP A 14 12.138 -7.940 17.799 1.00 0.25 C ATOM 163 OD1 ASP A 14 12.951 -7.522 18.650 1.00 22.24 O ATOM 164 OD2 ASP A 14 10.908 -7.741 17.872 1.00 40.43 O ATOM 0 H ASP A 14 12.857 -7.499 14.492 1.00 31.21 H new ATOM 0 HA ASP A 14 14.391 -7.453 16.822 1.00 62.21 H new ATOM 0 HB2 ASP A 14 11.942 -8.709 15.812 1.00 11.12 H new ATOM 0 HB3 ASP A 14 12.799 -9.771 16.911 1.00 11.12 H new ATOM 169 N LYS A 15 14.778 -10.214 15.032 1.00 72.10 N ATOM 170 CA LYS A 15 15.668 -11.346 14.806 1.00 44.14 C ATOM 171 C LYS A 15 17.054 -10.872 14.383 1.00 4.34 C ATOM 172 O LYS A 15 18.067 -11.416 14.822 1.00 70.13 O ATOM 173 CB LYS A 15 15.085 -12.273 13.735 1.00 35.33 C ATOM 174 CG LYS A 15 13.660 -12.713 14.023 1.00 72.20 C ATOM 175 CD LYS A 15 13.389 -14.108 13.486 1.00 50.41 C ATOM 176 CE LYS A 15 11.923 -14.486 13.634 1.00 44.52 C ATOM 177 NZ LYS A 15 11.121 -14.071 12.449 1.00 51.53 N ATOM 0 H LYS A 15 13.973 -10.180 14.407 1.00 72.10 H new ATOM 0 HA LYS A 15 15.762 -11.896 15.743 1.00 44.14 H new ATOM 0 HB2 LYS A 15 15.112 -11.764 12.772 1.00 35.33 H new ATOM 0 HB3 LYS A 15 15.718 -13.156 13.646 1.00 35.33 H new ATOM 0 HG2 LYS A 15 13.483 -12.695 15.098 1.00 72.20 H new ATOM 0 HG3 LYS A 15 12.962 -12.007 13.573 1.00 72.20 H new ATOM 0 HD2 LYS A 15 13.674 -14.156 12.435 1.00 50.41 H new ATOM 0 HD3 LYS A 15 14.008 -14.831 14.018 1.00 50.41 H new ATOM 0 HE2 LYS A 15 11.838 -15.564 13.771 1.00 44.52 H new ATOM 0 HE3 LYS A 15 11.516 -14.018 14.530 1.00 44.52 H new ATOM 0 HZ1 LYS A 15 10.128 -14.346 12.588 1.00 51.53 H new ATOM 0 HZ2 LYS A 15 11.181 -13.039 12.333 1.00 51.53 H new ATOM 0 HZ3 LYS A 15 11.493 -14.537 11.597 1.00 51.53 H new ATOM 191 N TRP A 16 17.091 -9.856 13.529 1.00 3.44 N ATOM 192 CA TRP A 16 18.355 -9.308 13.048 1.00 3.30 C ATOM 193 C TRP A 16 19.231 -8.857 14.211 1.00 70.51 C ATOM 194 O TRP A 16 20.367 -9.306 14.354 1.00 63.42 O ATOM 195 CB TRP A 16 18.099 -8.134 12.102 1.00 14.20 C ATOM 196 CG TRP A 16 19.355 -7.502 11.585 1.00 4.41 C ATOM 197 CD1 TRP A 16 19.946 -6.359 12.042 1.00 31.32 C ATOM 198 CD2 TRP A 16 20.173 -7.976 10.509 1.00 74.44 C ATOM 199 NE1 TRP A 16 21.083 -6.095 11.317 1.00 14.15 N ATOM 200 CE2 TRP A 16 21.244 -7.072 10.371 1.00 64.30 C ATOM 201 CE3 TRP A 16 20.106 -9.078 9.651 1.00 13.23 C ATOM 202 CZ2 TRP A 16 22.237 -7.237 9.409 1.00 2.42 C ATOM 203 CZ3 TRP A 16 21.092 -9.239 8.697 1.00 43.03 C ATOM 204 CH2 TRP A 16 22.147 -8.324 8.583 1.00 14.41 C ATOM 0 H TRP A 16 16.262 -9.395 13.155 1.00 3.44 H new ATOM 0 HA TRP A 16 18.880 -10.095 12.506 1.00 3.30 H new ATOM 0 HB2 TRP A 16 17.501 -8.480 11.259 1.00 14.20 H new ATOM 0 HB3 TRP A 16 17.509 -7.380 12.622 1.00 14.20 H new ATOM 0 HD1 TRP A 16 19.574 -5.752 12.854 1.00 31.32 H new ATOM 0 HE1 TRP A 16 21.706 -5.300 11.460 1.00 14.15 H new ATOM 0 HE3 TRP A 16 19.298 -9.790 9.733 1.00 13.23 H new ATOM 0 HZ2 TRP A 16 23.050 -6.532 9.318 1.00 2.42 H new ATOM 0 HZ3 TRP A 16 21.049 -10.085 8.027 1.00 43.03 H new ATOM 0 HH2 TRP A 16 22.904 -8.480 7.828 1.00 14.41 H new ATOM 215 N GLU A 17 18.695 -7.967 15.040 1.00 61.24 N ATOM 216 CA GLU A 17 19.430 -7.456 16.191 1.00 71.25 C ATOM 217 C GLU A 17 19.881 -8.596 17.099 1.00 43.24 C ATOM 218 O GLU A 17 20.860 -8.469 17.835 1.00 73.55 O ATOM 219 CB GLU A 17 18.564 -6.472 16.982 1.00 65.31 C ATOM 220 CG GLU A 17 18.324 -5.157 16.261 1.00 24.14 C ATOM 221 CD GLU A 17 17.661 -4.119 17.146 1.00 62.25 C ATOM 222 OE1 GLU A 17 16.427 -4.195 17.324 1.00 74.14 O ATOM 223 OE2 GLU A 17 18.374 -3.232 17.659 1.00 63.24 O ATOM 0 H GLU A 17 17.755 -7.585 14.936 1.00 61.24 H new ATOM 0 HA GLU A 17 20.314 -6.936 15.823 1.00 71.25 H new ATOM 0 HB2 GLU A 17 17.603 -6.939 17.198 1.00 65.31 H new ATOM 0 HB3 GLU A 17 19.042 -6.269 17.940 1.00 65.31 H new ATOM 0 HG2 GLU A 17 19.275 -4.766 15.899 1.00 24.14 H new ATOM 0 HG3 GLU A 17 17.699 -5.335 15.386 1.00 24.14 H new ATOM 230 N LYS A 18 19.160 -9.712 17.040 1.00 24.23 N ATOM 231 CA LYS A 18 19.486 -10.877 17.855 1.00 1.42 C ATOM 232 C LYS A 18 20.648 -11.657 17.249 1.00 20.53 C ATOM 233 O LYS A 18 21.600 -12.009 17.946 1.00 64.35 O ATOM 234 CB LYS A 18 18.262 -11.787 17.991 1.00 22.34 C ATOM 235 CG LYS A 18 18.010 -12.257 19.413 1.00 13.42 C ATOM 236 CD LYS A 18 16.557 -12.656 19.618 1.00 21.43 C ATOM 237 CE LYS A 18 16.260 -12.944 21.081 1.00 64.53 C ATOM 238 NZ LYS A 18 16.203 -11.697 21.893 1.00 25.42 N ATOM 0 H LYS A 18 18.347 -9.834 16.437 1.00 24.23 H new ATOM 0 HA LYS A 18 19.783 -10.527 18.844 1.00 1.42 H new ATOM 0 HB2 LYS A 18 17.382 -11.254 17.632 1.00 22.34 H new ATOM 0 HB3 LYS A 18 18.393 -12.657 17.347 1.00 22.34 H new ATOM 0 HG2 LYS A 18 18.657 -13.105 19.637 1.00 13.42 H new ATOM 0 HG3 LYS A 18 18.273 -11.463 20.112 1.00 13.42 H new ATOM 0 HD2 LYS A 18 15.906 -11.857 19.264 1.00 21.43 H new ATOM 0 HD3 LYS A 18 16.333 -13.539 19.019 1.00 21.43 H new ATOM 0 HE2 LYS A 18 15.310 -13.473 21.161 1.00 64.53 H new ATOM 0 HE3 LYS A 18 17.028 -13.605 21.484 1.00 64.53 H new ATOM 0 HZ1 LYS A 18 15.867 -11.922 22.851 1.00 25.42 H new ATOM 0 HZ2 LYS A 18 17.152 -11.276 21.949 1.00 25.42 H new ATOM 0 HZ3 LYS A 18 15.550 -11.021 21.446 1.00 25.42 H new ATOM 252 N ILE A 19 20.564 -11.921 15.950 1.00 65.12 N ATOM 253 CA ILE A 19 21.612 -12.657 15.252 1.00 52.41 C ATOM 254 C ILE A 19 22.982 -12.043 15.513 1.00 64.11 C ATOM 255 O ILE A 19 23.139 -10.823 15.504 1.00 22.14 O ATOM 256 CB ILE A 19 21.358 -12.693 13.734 1.00 0.44 C ATOM 257 CG1 ILE A 19 20.009 -13.350 13.434 1.00 21.41 C ATOM 258 CG2 ILE A 19 22.482 -13.432 13.025 1.00 21.22 C ATOM 259 CD1 ILE A 19 19.228 -12.658 12.340 1.00 1.35 C ATOM 0 H ILE A 19 19.782 -11.637 15.359 1.00 65.12 H new ATOM 0 HA ILE A 19 21.594 -13.676 15.639 1.00 52.41 H new ATOM 0 HB ILE A 19 21.332 -11.669 13.362 1.00 0.44 H new ATOM 0 HG12 ILE A 19 20.176 -14.389 13.148 1.00 21.41 H new ATOM 0 HG13 ILE A 19 19.410 -13.362 14.344 1.00 21.41 H new ATOM 0 HG21 ILE A 19 22.287 -13.448 11.953 1.00 21.22 H new ATOM 0 HG22 ILE A 19 23.428 -12.924 13.214 1.00 21.22 H new ATOM 0 HG23 ILE A 19 22.538 -14.454 13.399 1.00 21.22 H new ATOM 0 HD11 ILE A 19 18.284 -13.179 12.182 1.00 1.35 H new ATOM 0 HD12 ILE A 19 19.029 -11.627 12.631 1.00 1.35 H new ATOM 0 HD13 ILE A 19 19.807 -12.669 11.417 1.00 1.35 H new ATOM 271 N ARG A 20 23.974 -12.899 15.745 1.00 54.42 N ATOM 272 CA ARG A 20 25.332 -12.441 16.008 1.00 44.32 C ATOM 273 C ARG A 20 26.167 -12.456 14.730 1.00 33.22 C ATOM 274 O ARG A 20 25.862 -13.183 13.785 1.00 0.35 O ATOM 275 CB ARG A 20 25.992 -13.320 17.072 1.00 1.10 C ATOM 276 CG ARG A 20 26.320 -12.578 18.356 1.00 31.24 C ATOM 277 CD ARG A 20 25.304 -12.876 19.448 1.00 44.20 C ATOM 278 NE ARG A 20 25.379 -14.263 19.900 1.00 12.33 N ATOM 279 CZ ARG A 20 24.708 -14.731 20.947 1.00 20.12 C ATOM 280 NH1 ARG A 20 23.918 -13.928 21.646 1.00 23.04 N ATOM 281 NH2 ARG A 20 24.828 -16.005 21.297 1.00 20.42 N ATOM 0 H ARG A 20 23.861 -13.913 15.756 1.00 54.42 H new ATOM 0 HA ARG A 20 25.279 -11.416 16.375 1.00 44.32 H new ATOM 0 HB2 ARG A 20 25.330 -14.155 17.303 1.00 1.10 H new ATOM 0 HB3 ARG A 20 26.909 -13.744 16.663 1.00 1.10 H new ATOM 0 HG2 ARG A 20 27.316 -12.862 18.697 1.00 31.24 H new ATOM 0 HG3 ARG A 20 26.343 -11.506 18.162 1.00 31.24 H new ATOM 0 HD2 ARG A 20 25.474 -12.209 20.293 1.00 44.20 H new ATOM 0 HD3 ARG A 20 24.300 -12.669 19.076 1.00 44.20 H new ATOM 0 HE ARG A 20 25.979 -14.907 19.384 1.00 12.33 H new ATOM 0 HH11 ARG A 20 23.824 -12.948 21.381 1.00 23.04 H new ATOM 0 HH12 ARG A 20 23.404 -14.291 22.449 1.00 23.04 H new ATOM 0 HH21 ARG A 20 25.436 -16.626 20.762 1.00 20.42 H new ATOM 0 HH22 ARG A 20 24.313 -16.364 22.101 1.00 20.42 H new ATOM 295 N LEU A 21 27.222 -11.648 14.710 1.00 54.13 N ATOM 296 CA LEU A 21 28.102 -11.567 13.549 1.00 73.32 C ATOM 297 C LEU A 21 28.872 -12.869 13.359 1.00 44.43 C ATOM 298 O LEU A 21 29.280 -13.204 12.246 1.00 52.21 O ATOM 299 CB LEU A 21 29.079 -10.401 13.707 1.00 3.32 C ATOM 300 CG LEU A 21 28.469 -9.000 13.645 1.00 75.24 C ATOM 301 CD1 LEU A 21 29.491 -7.954 14.061 1.00 12.24 C ATOM 302 CD2 LEU A 21 27.942 -8.708 12.247 1.00 71.32 C ATOM 0 H LEU A 21 27.489 -11.040 15.484 1.00 54.13 H new ATOM 0 HA LEU A 21 27.485 -11.399 12.666 1.00 73.32 H new ATOM 0 HB2 LEU A 21 29.592 -10.510 14.663 1.00 3.32 H new ATOM 0 HB3 LEU A 21 29.837 -10.480 12.928 1.00 3.32 H new ATOM 0 HG LEU A 21 27.632 -8.958 14.342 1.00 75.24 H new ATOM 0 HD11 LEU A 21 29.039 -6.963 14.011 1.00 12.24 H new ATOM 0 HD12 LEU A 21 29.819 -8.152 15.081 1.00 12.24 H new ATOM 0 HD13 LEU A 21 30.349 -7.996 13.390 1.00 12.24 H new ATOM 0 HD21 LEU A 21 27.512 -7.707 12.222 1.00 71.32 H new ATOM 0 HD22 LEU A 21 28.760 -8.769 11.530 1.00 71.32 H new ATOM 0 HD23 LEU A 21 27.176 -9.439 11.987 1.00 71.32 H new ATOM 314 N ARG A 22 29.067 -13.601 14.451 1.00 62.24 N ATOM 315 CA ARG A 22 29.787 -14.868 14.403 1.00 51.21 C ATOM 316 C ARG A 22 29.292 -15.816 15.491 1.00 41.34 C ATOM 317 O ARG A 22 28.687 -15.403 16.481 1.00 62.11 O ATOM 318 CB ARG A 22 31.290 -14.630 14.564 1.00 53.03 C ATOM 319 CG ARG A 22 32.076 -14.807 13.276 1.00 51.40 C ATOM 320 CD ARG A 22 33.431 -15.447 13.532 1.00 31.40 C ATOM 321 NE ARG A 22 34.134 -14.813 14.645 1.00 11.22 N ATOM 322 CZ ARG A 22 35.127 -15.391 15.312 1.00 34.30 C ATOM 323 NH1 ARG A 22 35.530 -16.610 14.982 1.00 10.15 N ATOM 324 NH2 ARG A 22 35.717 -14.749 16.313 1.00 42.14 N ATOM 0 H ARG A 22 28.737 -13.339 15.380 1.00 62.24 H new ATOM 0 HA ARG A 22 29.600 -15.328 13.432 1.00 51.21 H new ATOM 0 HB2 ARG A 22 31.451 -13.620 14.942 1.00 53.03 H new ATOM 0 HB3 ARG A 22 31.680 -15.317 15.315 1.00 53.03 H new ATOM 0 HG2 ARG A 22 31.506 -15.426 12.583 1.00 51.40 H new ATOM 0 HG3 ARG A 22 32.215 -13.838 12.798 1.00 51.40 H new ATOM 0 HD2 ARG A 22 33.297 -16.508 13.745 1.00 31.40 H new ATOM 0 HD3 ARG A 22 34.041 -15.378 12.631 1.00 31.40 H new ATOM 0 HE ARG A 22 33.847 -13.875 14.925 1.00 11.22 H new ATOM 0 HH11 ARG A 22 35.077 -17.106 14.214 1.00 10.15 H new ATOM 0 HH12 ARG A 22 36.293 -17.052 15.496 1.00 10.15 H new ATOM 0 HH21 ARG A 22 35.408 -13.812 16.570 1.00 42.14 H new ATOM 0 HH22 ARG A 22 36.479 -15.193 16.825 1.00 42.14 H new ATOM 338 N PRO A 23 29.553 -17.119 15.305 1.00 53.43 N ATOM 339 CA PRO A 23 29.142 -18.153 16.259 1.00 64.10 C ATOM 340 C PRO A 23 29.928 -18.082 17.564 1.00 30.21 C ATOM 341 O PRO A 23 29.402 -18.384 18.634 1.00 75.12 O ATOM 342 CB PRO A 23 29.448 -19.458 15.520 1.00 32.32 C ATOM 343 CG PRO A 23 30.529 -19.105 14.559 1.00 44.43 C ATOM 344 CD PRO A 23 30.268 -17.682 14.148 1.00 45.20 C ATOM 0 HA PRO A 23 28.097 -18.047 16.551 1.00 64.10 H new ATOM 0 HB2 PRO A 23 29.771 -20.237 16.210 1.00 32.32 H new ATOM 0 HB3 PRO A 23 28.566 -19.836 15.003 1.00 32.32 H new ATOM 0 HG2 PRO A 23 31.511 -19.204 15.022 1.00 44.43 H new ATOM 0 HG3 PRO A 23 30.516 -19.770 13.695 1.00 44.43 H new ATOM 0 HD2 PRO A 23 31.195 -17.145 13.948 1.00 45.20 H new ATOM 0 HD3 PRO A 23 29.667 -17.630 13.240 1.00 45.20 H new ATOM 352 N GLY A 24 31.192 -17.680 17.468 1.00 52.14 N ATOM 353 CA GLY A 24 32.029 -17.577 18.648 1.00 71.51 C ATOM 354 C GLY A 24 32.221 -16.142 19.099 1.00 25.02 C ATOM 355 O GLY A 24 33.243 -15.804 19.694 1.00 35.25 O ATOM 0 H GLY A 24 31.651 -17.424 16.594 1.00 52.14 H new ATOM 0 HA2 GLY A 24 31.582 -18.153 19.458 1.00 71.51 H new ATOM 0 HA3 GLY A 24 33.002 -18.022 18.440 1.00 71.51 H new ATOM 359 N GLY A 25 31.238 -15.296 18.811 1.00 54.53 N ATOM 360 CA GLY A 25 31.324 -13.899 19.195 1.00 35.30 C ATOM 361 C GLY A 25 30.089 -13.425 19.938 1.00 24.20 C ATOM 362 O GLY A 25 29.113 -14.163 20.069 1.00 42.53 O ATOM 0 H GLY A 25 30.383 -15.553 18.318 1.00 54.53 H new ATOM 0 HA2 GLY A 25 32.202 -13.752 19.824 1.00 35.30 H new ATOM 0 HA3 GLY A 25 31.465 -13.288 18.303 1.00 35.30 H new ATOM 366 N LYS A 26 30.133 -12.190 20.426 1.00 72.43 N ATOM 367 CA LYS A 26 29.011 -11.617 21.160 1.00 70.45 C ATOM 368 C LYS A 26 28.431 -10.418 20.417 1.00 54.43 C ATOM 369 O LYS A 26 27.255 -10.088 20.571 1.00 61.03 O ATOM 370 CB LYS A 26 29.453 -11.196 22.563 1.00 22.51 C ATOM 371 CG LYS A 26 28.298 -10.893 23.500 1.00 72.01 C ATOM 372 CD LYS A 26 28.513 -9.589 24.249 1.00 63.50 C ATOM 373 CE LYS A 26 29.303 -9.806 25.531 1.00 65.54 C ATOM 374 NZ LYS A 26 30.301 -8.725 25.758 1.00 11.34 N ATOM 0 H LYS A 26 30.934 -11.566 20.326 1.00 72.43 H new ATOM 0 HA LYS A 26 28.237 -12.380 21.244 1.00 70.45 H new ATOM 0 HB2 LYS A 26 30.062 -11.989 22.996 1.00 22.51 H new ATOM 0 HB3 LYS A 26 30.088 -10.313 22.485 1.00 22.51 H new ATOM 0 HG2 LYS A 26 27.371 -10.837 22.929 1.00 72.01 H new ATOM 0 HG3 LYS A 26 28.184 -11.709 24.214 1.00 72.01 H new ATOM 0 HD2 LYS A 26 29.043 -8.884 23.609 1.00 63.50 H new ATOM 0 HD3 LYS A 26 27.548 -9.141 24.486 1.00 63.50 H new ATOM 0 HE2 LYS A 26 28.617 -9.850 26.377 1.00 65.54 H new ATOM 0 HE3 LYS A 26 29.814 -10.768 25.484 1.00 65.54 H new ATOM 0 HZ1 LYS A 26 30.818 -8.910 26.641 1.00 11.34 H new ATOM 0 HZ2 LYS A 26 30.971 -8.699 24.963 1.00 11.34 H new ATOM 0 HZ3 LYS A 26 29.812 -7.810 25.828 1.00 11.34 H new ATOM 388 N LYS A 27 29.263 -9.769 19.610 1.00 23.21 N ATOM 389 CA LYS A 27 28.833 -8.608 18.841 1.00 2.41 C ATOM 390 C LYS A 27 27.601 -8.936 18.002 1.00 21.24 C ATOM 391 O LYS A 27 27.704 -9.575 16.956 1.00 32.10 O ATOM 392 CB LYS A 27 29.966 -8.123 17.932 1.00 0.01 C ATOM 393 CG LYS A 27 29.931 -6.629 17.659 1.00 71.43 C ATOM 394 CD LYS A 27 31.274 -6.121 17.164 1.00 32.20 C ATOM 395 CE LYS A 27 31.106 -5.032 16.116 1.00 71.13 C ATOM 396 NZ LYS A 27 32.366 -4.268 15.903 1.00 1.04 N ATOM 0 H LYS A 27 30.240 -10.028 19.472 1.00 23.21 H new ATOM 0 HA LYS A 27 28.573 -7.816 19.543 1.00 2.41 H new ATOM 0 HB2 LYS A 27 30.922 -8.378 18.390 1.00 0.01 H new ATOM 0 HB3 LYS A 27 29.914 -8.658 16.984 1.00 0.01 H new ATOM 0 HG2 LYS A 27 29.163 -6.412 16.917 1.00 71.43 H new ATOM 0 HG3 LYS A 27 29.653 -6.098 18.570 1.00 71.43 H new ATOM 0 HD2 LYS A 27 31.850 -5.733 18.004 1.00 32.20 H new ATOM 0 HD3 LYS A 27 31.844 -6.949 16.742 1.00 32.20 H new ATOM 0 HE2 LYS A 27 30.789 -5.480 15.174 1.00 71.13 H new ATOM 0 HE3 LYS A 27 30.315 -4.349 16.426 1.00 71.13 H new ATOM 0 HZ1 LYS A 27 32.210 -3.535 15.182 1.00 1.04 H new ATOM 0 HZ2 LYS A 27 32.655 -3.819 16.796 1.00 1.04 H new ATOM 0 HZ3 LYS A 27 33.115 -4.915 15.583 1.00 1.04 H new ATOM 410 N GLN A 28 26.439 -8.492 18.469 1.00 14.43 N ATOM 411 CA GLN A 28 25.187 -8.738 17.761 1.00 23.33 C ATOM 412 C GLN A 28 25.121 -7.924 16.473 1.00 63.13 C ATOM 413 O GLN A 28 25.959 -7.054 16.234 1.00 42.40 O ATOM 414 CB GLN A 28 23.995 -8.397 18.656 1.00 73.44 C ATOM 415 CG GLN A 28 24.125 -8.932 20.073 1.00 64.32 C ATOM 416 CD GLN A 28 22.854 -8.759 20.882 1.00 12.23 C ATOM 417 OE1 GLN A 28 21.946 -9.587 20.817 1.00 35.01 O ATOM 418 NE2 GLN A 28 22.784 -7.677 21.649 1.00 21.34 N ATOM 0 H GLN A 28 26.338 -7.960 19.334 1.00 14.43 H new ATOM 0 HA GLN A 28 25.147 -9.796 17.503 1.00 23.33 H new ATOM 0 HB2 GLN A 28 23.879 -7.314 18.695 1.00 73.44 H new ATOM 0 HB3 GLN A 28 23.087 -8.799 18.207 1.00 73.44 H new ATOM 0 HG2 GLN A 28 24.386 -9.990 20.035 1.00 64.32 H new ATOM 0 HG3 GLN A 28 24.944 -8.419 20.577 1.00 64.32 H new ATOM 0 HE21 GLN A 28 23.561 -7.017 21.672 1.00 21.34 H new ATOM 0 HE22 GLN A 28 21.953 -7.506 22.215 1.00 21.34 H new ATOM 427 N TYR A 29 24.122 -8.213 15.648 1.00 44.33 N ATOM 428 CA TYR A 29 23.948 -7.509 14.382 1.00 71.25 C ATOM 429 C TYR A 29 23.227 -6.182 14.592 1.00 72.12 C ATOM 430 O TYR A 29 22.396 -6.048 15.491 1.00 13.15 O ATOM 431 CB TYR A 29 23.166 -8.378 13.396 1.00 2.41 C ATOM 432 CG TYR A 29 24.040 -9.078 12.380 1.00 71.53 C ATOM 433 CD1 TYR A 29 24.559 -8.393 11.289 1.00 15.23 C ATOM 434 CD2 TYR A 29 24.346 -10.427 12.512 1.00 23.12 C ATOM 435 CE1 TYR A 29 25.358 -9.028 10.359 1.00 53.04 C ATOM 436 CE2 TYR A 29 25.146 -11.071 11.587 1.00 41.14 C ATOM 437 CZ TYR A 29 25.648 -10.368 10.512 1.00 62.42 C ATOM 438 OH TYR A 29 26.444 -11.006 9.589 1.00 63.31 O ATOM 0 H TYR A 29 23.420 -8.930 15.832 1.00 44.33 H new ATOM 0 HA TYR A 29 24.936 -7.303 13.970 1.00 71.25 H new ATOM 0 HB2 TYR A 29 22.601 -9.125 13.953 1.00 2.41 H new ATOM 0 HB3 TYR A 29 22.441 -7.755 12.872 1.00 2.41 H new ATOM 0 HD1 TYR A 29 24.333 -7.344 11.166 1.00 15.23 H new ATOM 0 HD2 TYR A 29 23.952 -10.981 13.351 1.00 23.12 H new ATOM 0 HE1 TYR A 29 25.753 -8.479 9.517 1.00 53.04 H new ATOM 0 HE2 TYR A 29 25.377 -12.119 11.705 1.00 41.14 H new ATOM 0 HH TYR A 29 26.699 -11.888 9.931 1.00 63.31 H new ATOM 448 N LYS A 30 23.549 -5.202 13.754 1.00 63.31 N ATOM 449 CA LYS A 30 22.932 -3.884 13.844 1.00 62.22 C ATOM 450 C LYS A 30 22.760 -3.269 12.458 1.00 72.51 C ATOM 451 O LYS A 30 23.355 -3.731 11.485 1.00 45.10 O ATOM 452 CB LYS A 30 23.779 -2.960 14.722 1.00 73.34 C ATOM 453 CG LYS A 30 23.055 -2.471 15.965 1.00 2.01 C ATOM 454 CD LYS A 30 23.701 -3.007 17.232 1.00 74.14 C ATOM 455 CE LYS A 30 23.570 -2.020 18.383 1.00 44.02 C ATOM 456 NZ LYS A 30 24.466 -0.844 18.209 1.00 72.42 N ATOM 0 H LYS A 30 24.234 -5.296 13.004 1.00 63.31 H new ATOM 0 HA LYS A 30 21.947 -4.001 14.296 1.00 62.22 H new ATOM 0 HB2 LYS A 30 24.684 -3.487 15.023 1.00 73.34 H new ATOM 0 HB3 LYS A 30 24.093 -2.099 14.132 1.00 73.34 H new ATOM 0 HG2 LYS A 30 23.060 -1.381 15.985 1.00 2.01 H new ATOM 0 HG3 LYS A 30 22.012 -2.784 15.927 1.00 2.01 H new ATOM 0 HD2 LYS A 30 23.235 -3.953 17.507 1.00 74.14 H new ATOM 0 HD3 LYS A 30 24.755 -3.213 17.046 1.00 74.14 H new ATOM 0 HE2 LYS A 30 22.536 -1.682 18.455 1.00 44.02 H new ATOM 0 HE3 LYS A 30 23.808 -2.522 19.321 1.00 44.02 H new ATOM 0 HZ1 LYS A 30 24.570 -0.349 19.118 1.00 72.42 H new ATOM 0 HZ2 LYS A 30 25.399 -1.164 17.881 1.00 72.42 H new ATOM 0 HZ3 LYS A 30 24.056 -0.196 17.507 1.00 72.42 H new ATOM 470 N LEU A 31 21.944 -2.224 12.379 1.00 4.44 N ATOM 471 CA LEU A 31 21.695 -1.543 11.112 1.00 51.21 C ATOM 472 C LEU A 31 23.006 -1.159 10.433 1.00 11.22 C ATOM 473 O LEU A 31 23.090 -1.104 9.205 1.00 34.50 O ATOM 474 CB LEU A 31 20.841 -0.295 11.340 1.00 60.13 C ATOM 475 CG LEU A 31 19.422 -0.339 10.772 1.00 75.32 C ATOM 476 CD1 LEU A 31 19.457 -0.450 9.256 1.00 25.30 C ATOM 477 CD2 LEU A 31 18.641 -1.498 11.375 1.00 24.33 C ATOM 0 H LEU A 31 21.444 -1.830 13.176 1.00 4.44 H new ATOM 0 HA LEU A 31 21.156 -2.230 10.459 1.00 51.21 H new ATOM 0 HB2 LEU A 31 20.776 -0.115 12.413 1.00 60.13 H new ATOM 0 HB3 LEU A 31 21.359 0.560 10.904 1.00 60.13 H new ATOM 0 HG LEU A 31 18.917 0.590 11.037 1.00 75.32 H new ATOM 0 HD11 LEU A 31 18.438 -0.480 8.870 1.00 25.30 H new ATOM 0 HD12 LEU A 31 19.978 0.413 8.840 1.00 25.30 H new ATOM 0 HD13 LEU A 31 19.980 -1.362 8.970 1.00 25.30 H new ATOM 0 HD21 LEU A 31 17.634 -1.513 10.959 1.00 24.33 H new ATOM 0 HD22 LEU A 31 19.144 -2.436 11.142 1.00 24.33 H new ATOM 0 HD23 LEU A 31 18.585 -1.375 12.457 1.00 24.33 H new ATOM 489 N LYS A 32 24.029 -0.895 11.239 1.00 65.44 N ATOM 490 CA LYS A 32 25.337 -0.520 10.718 1.00 24.41 C ATOM 491 C LYS A 32 25.817 -1.525 9.675 1.00 64.12 C ATOM 492 O LYS A 32 26.435 -1.153 8.677 1.00 75.51 O ATOM 493 CB LYS A 32 26.355 -0.427 11.857 1.00 24.52 C ATOM 494 CG LYS A 32 26.703 0.999 12.246 1.00 64.51 C ATOM 495 CD LYS A 32 25.549 1.678 12.963 1.00 35.24 C ATOM 496 CE LYS A 32 25.858 3.139 13.258 1.00 44.24 C ATOM 497 NZ LYS A 32 26.074 3.377 14.712 1.00 2.15 N ATOM 0 H LYS A 32 23.977 -0.934 12.257 1.00 65.44 H new ATOM 0 HA LYS A 32 25.243 0.456 10.241 1.00 24.41 H new ATOM 0 HB2 LYS A 32 25.960 -0.947 12.730 1.00 24.52 H new ATOM 0 HB3 LYS A 32 27.266 -0.947 11.562 1.00 24.52 H new ATOM 0 HG2 LYS A 32 27.582 0.997 12.890 1.00 64.51 H new ATOM 0 HG3 LYS A 32 26.963 1.568 11.353 1.00 64.51 H new ATOM 0 HD2 LYS A 32 24.649 1.612 12.351 1.00 35.24 H new ATOM 0 HD3 LYS A 32 25.340 1.154 13.895 1.00 35.24 H new ATOM 0 HE2 LYS A 32 26.747 3.441 12.704 1.00 44.24 H new ATOM 0 HE3 LYS A 32 25.036 3.762 12.906 1.00 44.24 H new ATOM 0 HZ1 LYS A 32 26.282 4.383 14.872 1.00 2.15 H new ATOM 0 HZ2 LYS A 32 25.217 3.113 15.238 1.00 2.15 H new ATOM 0 HZ3 LYS A 32 26.875 2.801 15.043 1.00 2.15 H new ATOM 511 N HIS A 33 25.526 -2.801 9.911 1.00 31.25 N ATOM 512 CA HIS A 33 25.926 -3.859 8.991 1.00 45.15 C ATOM 513 C HIS A 33 25.013 -3.889 7.769 1.00 42.10 C ATOM 514 O HIS A 33 25.523 -4.190 6.689 1.00 2.42 O ATOM 515 CB HIS A 33 25.895 -5.216 9.696 1.00 72.53 C ATOM 516 CG HIS A 33 26.557 -5.208 11.040 1.00 11.12 C ATOM 517 ND1 HIS A 33 25.975 -5.744 12.169 1.00 52.32 N ATOM 518 CD2 HIS A 33 27.759 -4.724 11.432 1.00 55.41 C ATOM 519 CE1 HIS A 33 26.790 -5.590 13.197 1.00 31.12 C ATOM 520 NE2 HIS A 33 27.880 -4.974 12.776 1.00 73.55 N ATOM 0 H HIS A 33 25.015 -3.127 10.731 1.00 31.25 H new ATOM 0 HA HIS A 33 26.944 -3.653 8.659 1.00 45.15 H new ATOM 0 HB2 HIS A 33 24.858 -5.532 9.813 1.00 72.53 H new ATOM 0 HB3 HIS A 33 26.385 -5.956 9.063 1.00 72.53 H new ATOM 0 HD2 HIS A 33 28.487 -4.233 10.804 1.00 55.41 H new ATOM 0 HE1 HIS A 33 26.598 -5.913 14.210 1.00 31.12 H new ATOM 0 HE2 HIS A 33 28.681 -4.725 13.356 1.00 73.55 H new ATOM 528 N ILE A 34 23.724 -3.595 7.903 1.00 50.22 N ATOM 529 CA ILE A 34 22.815 -3.608 6.764 1.00 42.35 C ATOM 530 C ILE A 34 23.148 -2.491 5.781 1.00 23.12 C ATOM 531 O ILE A 34 23.048 -2.667 4.567 1.00 13.13 O ATOM 532 CB ILE A 34 21.348 -3.462 7.213 1.00 4.24 C ATOM 533 CG1 ILE A 34 21.014 -4.503 8.283 1.00 55.44 C ATOM 534 CG2 ILE A 34 20.414 -3.601 6.020 1.00 11.22 C ATOM 535 CD1 ILE A 34 19.624 -4.349 8.860 1.00 32.21 C ATOM 0 H ILE A 34 23.286 -3.345 8.789 1.00 50.22 H new ATOM 0 HA ILE A 34 22.941 -4.572 6.271 1.00 42.35 H new ATOM 0 HB ILE A 34 21.211 -2.470 7.643 1.00 4.24 H new ATOM 0 HG12 ILE A 34 21.112 -5.500 7.852 1.00 55.44 H new ATOM 0 HG13 ILE A 34 21.744 -4.431 9.089 1.00 55.44 H new ATOM 0 HG21 ILE A 34 19.381 -3.496 6.352 1.00 11.22 H new ATOM 0 HG22 ILE A 34 20.641 -2.826 5.288 1.00 11.22 H new ATOM 0 HG23 ILE A 34 20.550 -4.581 5.564 1.00 11.22 H new ATOM 0 HD11 ILE A 34 19.455 -5.120 9.612 1.00 32.21 H new ATOM 0 HD12 ILE A 34 19.528 -3.366 9.320 1.00 32.21 H new ATOM 0 HD13 ILE A 34 18.886 -4.451 8.064 1.00 32.21 H new ATOM 547 N VAL A 35 23.547 -1.341 6.315 1.00 20.34 N ATOM 548 CA VAL A 35 23.899 -0.195 5.485 1.00 11.34 C ATOM 549 C VAL A 35 25.323 -0.318 4.953 1.00 51.52 C ATOM 550 O VAL A 35 25.604 0.053 3.813 1.00 2.31 O ATOM 551 CB VAL A 35 23.768 1.125 6.267 1.00 14.13 C ATOM 552 CG1 VAL A 35 24.171 2.306 5.395 1.00 74.13 C ATOM 553 CG2 VAL A 35 22.350 1.297 6.789 1.00 55.25 C ATOM 0 H VAL A 35 23.635 -1.178 7.318 1.00 20.34 H new ATOM 0 HA VAL A 35 23.201 -0.184 4.648 1.00 11.34 H new ATOM 0 HB VAL A 35 24.443 1.088 7.122 1.00 14.13 H new ATOM 0 HG11 VAL A 35 24.072 3.230 5.965 1.00 74.13 H new ATOM 0 HG12 VAL A 35 25.206 2.186 5.076 1.00 74.13 H new ATOM 0 HG13 VAL A 35 23.524 2.349 4.519 1.00 74.13 H new ATOM 0 HG21 VAL A 35 22.276 2.235 7.339 1.00 55.25 H new ATOM 0 HG22 VAL A 35 21.653 1.312 5.951 1.00 55.25 H new ATOM 0 HG23 VAL A 35 22.103 0.467 7.452 1.00 55.25 H new ATOM 563 N TRP A 36 26.216 -0.841 5.784 1.00 70.25 N ATOM 564 CA TRP A 36 27.611 -1.014 5.396 1.00 22.41 C ATOM 565 C TRP A 36 27.725 -1.859 4.132 1.00 52.14 C ATOM 566 O TRP A 36 28.613 -1.645 3.309 1.00 25.30 O ATOM 567 CB TRP A 36 28.401 -1.665 6.533 1.00 52.13 C ATOM 568 CG TRP A 36 29.802 -2.033 6.148 1.00 44.40 C ATOM 569 CD1 TRP A 36 30.939 -1.330 6.423 1.00 3.23 C ATOM 570 CD2 TRP A 36 30.213 -3.193 5.415 1.00 63.23 C ATOM 571 NE1 TRP A 36 32.033 -1.982 5.906 1.00 52.13 N ATOM 572 CE2 TRP A 36 31.614 -3.129 5.284 1.00 2.33 C ATOM 573 CE3 TRP A 36 29.534 -4.282 4.860 1.00 1.54 C ATOM 574 CZ2 TRP A 36 32.345 -4.109 4.619 1.00 31.24 C ATOM 575 CZ3 TRP A 36 30.262 -5.253 4.200 1.00 55.14 C ATOM 576 CH2 TRP A 36 31.655 -5.163 4.085 1.00 44.13 C ATOM 0 H TRP A 36 26.000 -1.153 6.731 1.00 70.25 H new ATOM 0 HA TRP A 36 28.029 -0.029 5.190 1.00 22.41 H new ATOM 0 HB2 TRP A 36 28.433 -0.982 7.382 1.00 52.13 H new ATOM 0 HB3 TRP A 36 27.876 -2.561 6.864 1.00 52.13 H new ATOM 0 HD1 TRP A 36 30.974 -0.398 6.967 1.00 3.23 H new ATOM 0 HE1 TRP A 36 33.000 -1.664 5.974 1.00 52.13 H new ATOM 0 HE3 TRP A 36 28.460 -4.363 4.946 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 33.419 -4.040 4.528 1.00 31.24 H new ATOM 0 HZ3 TRP A 36 29.748 -6.097 3.765 1.00 55.14 H new ATOM 0 HH2 TRP A 36 32.195 -5.940 3.565 1.00 44.13 H new ATOM 587 N ALA A 37 26.818 -2.821 3.985 1.00 0.13 N ATOM 588 CA ALA A 37 26.816 -3.696 2.820 1.00 1.12 C ATOM 589 C ALA A 37 26.158 -3.016 1.624 1.00 4.51 C ATOM 590 O ALA A 37 26.461 -3.334 0.473 1.00 62.44 O ATOM 591 CB ALA A 37 26.106 -5.002 3.143 1.00 73.12 C ATOM 0 H ALA A 37 26.076 -3.013 4.658 1.00 0.13 H new ATOM 0 HA ALA A 37 27.851 -3.913 2.557 1.00 1.12 H new ATOM 0 HB1 ALA A 37 26.112 -5.646 2.264 1.00 73.12 H new ATOM 0 HB2 ALA A 37 26.620 -5.503 3.963 1.00 73.12 H new ATOM 0 HB3 ALA A 37 25.076 -4.794 3.434 1.00 73.12 H new ATOM 597 N SER A 38 25.257 -2.080 1.902 1.00 71.21 N ATOM 598 CA SER A 38 24.554 -1.359 0.849 1.00 13.21 C ATOM 599 C SER A 38 25.494 -0.401 0.124 1.00 4.23 C ATOM 600 O SER A 38 25.474 -0.303 -1.103 1.00 33.30 O ATOM 601 CB SER A 38 23.371 -0.584 1.434 1.00 52.20 C ATOM 602 OG SER A 38 22.447 -1.458 2.058 1.00 70.34 O ATOM 0 H SER A 38 24.997 -1.803 2.849 1.00 71.21 H new ATOM 0 HA SER A 38 24.182 -2.089 0.130 1.00 13.21 H new ATOM 0 HB2 SER A 38 23.733 0.145 2.159 1.00 52.20 H new ATOM 0 HB3 SER A 38 22.871 -0.026 0.643 1.00 52.20 H new ATOM 0 HG SER A 38 22.827 -1.790 2.898 1.00 70.34 H new ATOM 608 N ARG A 39 26.318 0.304 0.893 1.00 71.20 N ATOM 609 CA ARG A 39 27.266 1.255 0.326 1.00 3.12 C ATOM 610 C ARG A 39 28.435 0.529 -0.336 1.00 31.43 C ATOM 611 O ARG A 39 29.054 1.047 -1.264 1.00 15.14 O ATOM 612 CB ARG A 39 27.787 2.198 1.411 1.00 74.41 C ATOM 613 CG ARG A 39 28.937 3.080 0.952 1.00 54.41 C ATOM 614 CD ARG A 39 30.268 2.586 1.494 1.00 30.43 C ATOM 615 NE ARG A 39 31.258 3.658 1.574 1.00 60.14 N ATOM 616 CZ ARG A 39 31.237 4.610 2.501 1.00 41.42 C ATOM 617 NH1 ARG A 39 30.282 4.624 3.420 1.00 3.30 N ATOM 618 NH2 ARG A 39 32.172 5.551 2.507 1.00 32.20 N ATOM 0 H ARG A 39 26.348 0.234 1.910 1.00 71.20 H new ATOM 0 HA ARG A 39 26.746 1.839 -0.433 1.00 3.12 H new ATOM 0 HB2 ARG A 39 26.969 2.832 1.753 1.00 74.41 H new ATOM 0 HB3 ARG A 39 28.113 1.608 2.268 1.00 74.41 H new ATOM 0 HG2 ARG A 39 28.971 3.098 -0.137 1.00 54.41 H new ATOM 0 HG3 ARG A 39 28.766 4.104 1.283 1.00 54.41 H new ATOM 0 HD2 ARG A 39 30.119 2.155 2.484 1.00 30.43 H new ATOM 0 HD3 ARG A 39 30.647 1.789 0.854 1.00 30.43 H new ATOM 0 HE ARG A 39 32.006 3.677 0.881 1.00 60.14 H new ATOM 0 HH11 ARG A 39 29.561 3.903 3.417 1.00 3.30 H new ATOM 0 HH12 ARG A 39 30.268 5.356 4.130 1.00 3.30 H new ATOM 0 HH21 ARG A 39 32.907 5.544 1.800 1.00 32.20 H new ATOM 0 HH22 ARG A 39 32.156 6.282 3.219 1.00 32.20 H new ATOM 632 N GLU A 40 28.730 -0.672 0.151 1.00 52.45 N ATOM 633 CA GLU A 40 29.825 -1.468 -0.392 1.00 14.54 C ATOM 634 C GLU A 40 29.360 -2.283 -1.596 1.00 1.23 C ATOM 635 O GLU A 40 30.156 -2.628 -2.471 1.00 53.01 O ATOM 636 CB GLU A 40 30.390 -2.400 0.682 1.00 52.35 C ATOM 637 CG GLU A 40 31.876 -2.675 0.529 1.00 61.12 C ATOM 638 CD GLU A 40 32.711 -1.966 1.578 1.00 42.43 C ATOM 639 OE1 GLU A 40 32.533 -0.742 1.751 1.00 44.10 O ATOM 640 OE2 GLU A 40 33.542 -2.636 2.226 1.00 64.23 O ATOM 0 H GLU A 40 28.227 -1.115 0.920 1.00 52.45 H new ATOM 0 HA GLU A 40 30.609 -0.785 -0.718 1.00 14.54 H new ATOM 0 HB2 GLU A 40 30.210 -1.961 1.663 1.00 52.35 H new ATOM 0 HB3 GLU A 40 29.849 -3.346 0.651 1.00 52.35 H new ATOM 0 HG2 GLU A 40 32.052 -3.749 0.595 1.00 61.12 H new ATOM 0 HG3 GLU A 40 32.200 -2.359 -0.463 1.00 61.12 H new ATOM 647 N LEU A 41 28.068 -2.588 -1.633 1.00 53.33 N ATOM 648 CA LEU A 41 27.496 -3.363 -2.728 1.00 50.41 C ATOM 649 C LEU A 41 27.494 -2.557 -4.023 1.00 2.22 C ATOM 650 O LEU A 41 27.925 -3.043 -5.068 1.00 62.34 O ATOM 651 CB LEU A 41 26.070 -3.796 -2.382 1.00 53.40 C ATOM 652 CG LEU A 41 25.920 -5.193 -1.779 1.00 44.22 C ATOM 653 CD1 LEU A 41 24.467 -5.472 -1.432 1.00 51.15 C ATOM 654 CD2 LEU A 41 26.453 -6.247 -2.738 1.00 63.41 C ATOM 0 H LEU A 41 27.396 -2.310 -0.917 1.00 53.33 H new ATOM 0 HA LEU A 41 28.113 -4.249 -2.874 1.00 50.41 H new ATOM 0 HB2 LEU A 41 25.652 -3.073 -1.681 1.00 53.40 H new ATOM 0 HB3 LEU A 41 25.467 -3.747 -3.289 1.00 53.40 H new ATOM 0 HG LEU A 41 26.505 -5.236 -0.861 1.00 44.22 H new ATOM 0 HD11 LEU A 41 24.380 -6.471 -1.004 1.00 51.15 H new ATOM 0 HD12 LEU A 41 24.118 -4.736 -0.708 1.00 51.15 H new ATOM 0 HD13 LEU A 41 23.859 -5.410 -2.335 1.00 51.15 H new ATOM 0 HD21 LEU A 41 26.338 -7.235 -2.293 1.00 63.41 H new ATOM 0 HD22 LEU A 41 25.895 -6.203 -3.673 1.00 63.41 H new ATOM 0 HD23 LEU A 41 27.508 -6.058 -2.936 1.00 63.41 H new ATOM 666 N GLU A 42 27.008 -1.322 -3.945 1.00 23.32 N ATOM 667 CA GLU A 42 26.953 -0.449 -5.112 1.00 21.12 C ATOM 668 C GLU A 42 28.333 -0.299 -5.745 1.00 44.14 C ATOM 669 O GLU A 42 28.452 -0.031 -6.941 1.00 64.50 O ATOM 670 CB GLU A 42 26.408 0.927 -4.721 1.00 52.42 C ATOM 671 CG GLU A 42 25.096 1.277 -5.403 1.00 74.55 C ATOM 672 CD GLU A 42 24.192 2.127 -4.529 1.00 24.44 C ATOM 673 OE1 GLU A 42 24.188 1.916 -3.298 1.00 53.41 O ATOM 674 OE2 GLU A 42 23.493 3.005 -5.077 1.00 43.25 O ATOM 0 H GLU A 42 26.647 -0.904 -3.087 1.00 23.32 H new ATOM 0 HA GLU A 42 26.284 -0.904 -5.843 1.00 21.12 H new ATOM 0 HB2 GLU A 42 26.266 0.959 -3.641 1.00 52.42 H new ATOM 0 HB3 GLU A 42 27.150 1.686 -4.968 1.00 52.42 H new ATOM 0 HG2 GLU A 42 25.304 1.810 -6.331 1.00 74.55 H new ATOM 0 HG3 GLU A 42 24.575 0.359 -5.673 1.00 74.55 H new ATOM 681 N ARG A 43 29.372 -0.474 -4.936 1.00 73.21 N ATOM 682 CA ARG A 43 30.743 -0.356 -5.415 1.00 44.02 C ATOM 683 C ARG A 43 31.118 -1.553 -6.285 1.00 24.45 C ATOM 684 O ARG A 43 31.974 -1.451 -7.165 1.00 10.13 O ATOM 685 CB ARG A 43 31.712 -0.246 -4.237 1.00 74.11 C ATOM 686 CG ARG A 43 33.019 0.447 -4.584 1.00 65.12 C ATOM 687 CD ARG A 43 32.939 1.945 -4.334 1.00 44.32 C ATOM 688 NE ARG A 43 33.737 2.350 -3.180 1.00 35.13 N ATOM 689 CZ ARG A 43 35.063 2.429 -3.194 1.00 14.41 C ATOM 690 NH1 ARG A 43 35.736 2.133 -4.297 1.00 2.14 N ATOM 691 NH2 ARG A 43 35.717 2.806 -2.103 1.00 5.01 N ATOM 0 H ARG A 43 29.290 -0.698 -3.944 1.00 73.21 H new ATOM 0 HA ARG A 43 30.813 0.549 -6.019 1.00 44.02 H new ATOM 0 HB2 ARG A 43 31.226 0.299 -3.428 1.00 74.11 H new ATOM 0 HB3 ARG A 43 31.930 -1.246 -3.862 1.00 74.11 H new ATOM 0 HG2 ARG A 43 33.827 0.021 -3.990 1.00 65.12 H new ATOM 0 HG3 ARG A 43 33.262 0.264 -5.631 1.00 65.12 H new ATOM 0 HD2 ARG A 43 33.284 2.479 -5.219 1.00 44.32 H new ATOM 0 HD3 ARG A 43 31.899 2.231 -4.174 1.00 44.32 H new ATOM 0 HE ARG A 43 33.249 2.585 -2.316 1.00 35.13 H new ATOM 0 HH11 ARG A 43 35.236 1.844 -5.138 1.00 2.14 H new ATOM 0 HH12 ARG A 43 36.754 2.194 -4.305 1.00 2.14 H new ATOM 0 HH21 ARG A 43 35.202 3.035 -1.253 1.00 5.01 H new ATOM 0 HH22 ARG A 43 36.735 2.867 -2.114 1.00 5.01 H new ATOM 705 N PHE A 44 30.474 -2.687 -6.032 1.00 44.42 N ATOM 706 CA PHE A 44 30.740 -3.904 -6.791 1.00 3.30 C ATOM 707 C PHE A 44 29.736 -4.067 -7.929 1.00 23.32 C ATOM 708 O PHE A 44 29.448 -5.182 -8.362 1.00 22.44 O ATOM 709 CB PHE A 44 30.689 -5.125 -5.871 1.00 3.11 C ATOM 710 CG PHE A 44 31.969 -5.367 -5.123 1.00 15.13 C ATOM 711 CD1 PHE A 44 32.467 -4.413 -4.250 1.00 11.53 C ATOM 712 CD2 PHE A 44 32.674 -6.547 -5.294 1.00 73.30 C ATOM 713 CE1 PHE A 44 33.644 -4.632 -3.560 1.00 41.14 C ATOM 714 CE2 PHE A 44 33.851 -6.772 -4.606 1.00 31.54 C ATOM 715 CZ PHE A 44 34.337 -5.813 -3.739 1.00 23.32 C ATOM 0 H PHE A 44 29.764 -2.789 -5.307 1.00 44.42 H new ATOM 0 HA PHE A 44 31.738 -3.823 -7.221 1.00 3.30 H new ATOM 0 HB2 PHE A 44 29.878 -4.996 -5.154 1.00 3.11 H new ATOM 0 HB3 PHE A 44 30.452 -6.008 -6.465 1.00 3.11 H new ATOM 0 HD1 PHE A 44 31.929 -3.488 -4.107 1.00 11.53 H new ATOM 0 HD2 PHE A 44 32.300 -7.299 -5.972 1.00 73.30 H new ATOM 0 HE1 PHE A 44 34.021 -3.881 -2.882 1.00 41.14 H new ATOM 0 HE2 PHE A 44 34.390 -7.697 -4.746 1.00 31.54 H new ATOM 0 HZ PHE A 44 35.258 -5.986 -3.202 1.00 23.32 H new ATOM 725 N ALA A 45 29.207 -2.946 -8.408 1.00 75.45 N ATOM 726 CA ALA A 45 28.237 -2.964 -9.495 1.00 12.41 C ATOM 727 C ALA A 45 26.957 -3.680 -9.077 1.00 2.11 C ATOM 728 O ALA A 45 26.191 -4.147 -9.921 1.00 15.21 O ATOM 729 CB ALA A 45 28.836 -3.625 -10.727 1.00 60.21 C ATOM 0 H ALA A 45 29.434 -2.014 -8.060 1.00 75.45 H new ATOM 0 HA ALA A 45 27.982 -1.932 -9.738 1.00 12.41 H new ATOM 0 HB1 ALA A 45 28.100 -3.631 -11.531 1.00 60.21 H new ATOM 0 HB2 ALA A 45 29.717 -3.069 -11.046 1.00 60.21 H new ATOM 0 HB3 ALA A 45 29.121 -4.650 -10.488 1.00 60.21 H new ATOM 735 N VAL A 46 26.731 -3.764 -7.770 1.00 1.41 N ATOM 736 CA VAL A 46 25.543 -4.424 -7.240 1.00 3.13 C ATOM 737 C VAL A 46 24.679 -3.448 -6.449 1.00 3.24 C ATOM 738 O VAL A 46 25.091 -2.944 -5.406 1.00 25.25 O ATOM 739 CB VAL A 46 25.918 -5.612 -6.335 1.00 33.02 C ATOM 740 CG1 VAL A 46 24.668 -6.260 -5.759 1.00 31.35 C ATOM 741 CG2 VAL A 46 26.749 -6.627 -7.105 1.00 53.02 C ATOM 0 H VAL A 46 27.355 -3.383 -7.058 1.00 1.41 H new ATOM 0 HA VAL A 46 24.978 -4.794 -8.095 1.00 3.13 H new ATOM 0 HB VAL A 46 26.519 -5.239 -5.506 1.00 33.02 H new ATOM 0 HG11 VAL A 46 24.953 -7.098 -5.122 1.00 31.35 H new ATOM 0 HG12 VAL A 46 24.117 -5.527 -5.170 1.00 31.35 H new ATOM 0 HG13 VAL A 46 24.037 -6.620 -6.572 1.00 31.35 H new ATOM 0 HG21 VAL A 46 27.005 -7.460 -6.450 1.00 53.02 H new ATOM 0 HG22 VAL A 46 26.176 -6.997 -7.955 1.00 53.02 H new ATOM 0 HG23 VAL A 46 27.663 -6.153 -7.463 1.00 53.02 H new ATOM 751 N ASN A 47 23.477 -3.187 -6.953 1.00 3.31 N ATOM 752 CA ASN A 47 22.555 -2.272 -6.293 1.00 13.22 C ATOM 753 C ASN A 47 22.159 -2.796 -4.917 1.00 72.53 C ATOM 754 O ASN A 47 22.005 -3.999 -4.704 1.00 53.33 O ATOM 755 CB ASN A 47 21.305 -2.067 -7.152 1.00 34.01 C ATOM 756 CG ASN A 47 21.409 -0.845 -8.044 1.00 25.14 C ATOM 757 OD1 ASN A 47 22.097 0.122 -7.713 1.00 71.44 O ATOM 758 ND2 ASN A 47 20.727 -0.882 -9.182 1.00 52.03 N ATOM 0 H ASN A 47 23.120 -3.597 -7.816 1.00 3.31 H new ATOM 0 HA ASN A 47 23.062 -1.315 -6.165 1.00 13.22 H new ATOM 0 HB2 ASN A 47 21.143 -2.951 -7.769 1.00 34.01 H new ATOM 0 HB3 ASN A 47 20.435 -1.967 -6.504 1.00 34.01 H new ATOM 0 HD21 ASN A 47 20.760 -0.089 -9.822 1.00 52.03 H new ATOM 0 HD22 ASN A 47 20.170 -1.704 -9.416 1.00 52.03 H new ATOM 765 N PRO A 48 21.988 -1.874 -3.958 1.00 22.45 N ATOM 766 CA PRO A 48 21.607 -2.219 -2.585 1.00 45.43 C ATOM 767 C PRO A 48 20.170 -2.723 -2.492 1.00 4.22 C ATOM 768 O PRO A 48 19.752 -3.248 -1.461 1.00 31.33 O ATOM 769 CB PRO A 48 21.759 -0.896 -1.831 1.00 21.34 C ATOM 770 CG PRO A 48 21.590 0.156 -2.872 1.00 71.25 C ATOM 771 CD PRO A 48 22.155 -0.422 -4.140 1.00 43.44 C ATOM 0 HA PRO A 48 22.219 -3.027 -2.183 1.00 45.43 H new ATOM 0 HB2 PRO A 48 21.009 -0.800 -1.046 1.00 21.34 H new ATOM 0 HB3 PRO A 48 22.735 -0.824 -1.351 1.00 21.34 H new ATOM 0 HG2 PRO A 48 20.539 0.417 -2.996 1.00 71.25 H new ATOM 0 HG3 PRO A 48 22.114 1.070 -2.592 1.00 71.25 H new ATOM 0 HD2 PRO A 48 21.619 -0.063 -5.019 1.00 43.44 H new ATOM 0 HD3 PRO A 48 23.203 -0.152 -4.273 1.00 43.44 H new ATOM 779 N GLY A 49 19.419 -2.560 -3.577 1.00 32.45 N ATOM 780 CA GLY A 49 18.037 -3.003 -3.595 1.00 4.43 C ATOM 781 C GLY A 49 17.913 -4.512 -3.542 1.00 70.04 C ATOM 782 O GLY A 49 16.825 -5.046 -3.314 1.00 4.23 O ATOM 0 H GLY A 49 19.743 -2.129 -4.443 1.00 32.45 H new ATOM 0 HA2 GLY A 49 17.508 -2.568 -2.747 1.00 4.43 H new ATOM 0 HA3 GLY A 49 17.551 -2.633 -4.498 1.00 4.43 H new ATOM 786 N LEU A 50 19.027 -5.205 -3.752 1.00 53.03 N ATOM 787 CA LEU A 50 19.037 -6.663 -3.728 1.00 24.25 C ATOM 788 C LEU A 50 19.000 -7.184 -2.295 1.00 75.44 C ATOM 789 O LEU A 50 18.580 -8.315 -2.045 1.00 74.21 O ATOM 790 CB LEU A 50 20.280 -7.196 -4.443 1.00 22.33 C ATOM 791 CG LEU A 50 20.517 -6.670 -5.859 1.00 52.34 C ATOM 792 CD1 LEU A 50 21.740 -7.329 -6.477 1.00 72.12 C ATOM 793 CD2 LEU A 50 19.288 -6.905 -6.727 1.00 1.24 C ATOM 0 H LEU A 50 19.935 -4.780 -3.941 1.00 53.03 H new ATOM 0 HA LEU A 50 18.146 -7.016 -4.247 1.00 24.25 H new ATOM 0 HB2 LEU A 50 21.154 -6.957 -3.837 1.00 22.33 H new ATOM 0 HB3 LEU A 50 20.211 -8.283 -4.487 1.00 22.33 H new ATOM 0 HG LEU A 50 20.699 -5.597 -5.801 1.00 52.34 H new ATOM 0 HD11 LEU A 50 21.892 -6.942 -7.484 1.00 72.12 H new ATOM 0 HD12 LEU A 50 22.617 -7.111 -5.868 1.00 72.12 H new ATOM 0 HD13 LEU A 50 21.588 -8.407 -6.522 1.00 72.12 H new ATOM 0 HD21 LEU A 50 19.474 -6.525 -7.731 1.00 1.24 H new ATOM 0 HD22 LEU A 50 19.077 -7.973 -6.777 1.00 1.24 H new ATOM 0 HD23 LEU A 50 18.433 -6.386 -6.295 1.00 1.24 H new ATOM 805 N LEU A 51 19.439 -6.352 -1.356 1.00 65.21 N ATOM 806 CA LEU A 51 19.454 -6.727 0.054 1.00 43.43 C ATOM 807 C LEU A 51 18.059 -6.612 0.662 1.00 44.33 C ATOM 808 O LEU A 51 17.768 -7.225 1.689 1.00 11.45 O ATOM 809 CB LEU A 51 20.435 -5.845 0.826 1.00 34.41 C ATOM 810 CG LEU A 51 21.905 -5.961 0.421 1.00 72.04 C ATOM 811 CD1 LEU A 51 22.760 -5.002 1.235 1.00 70.24 C ATOM 812 CD2 LEU A 51 22.393 -7.392 0.592 1.00 32.21 C ATOM 0 H LEU A 51 19.789 -5.413 -1.546 1.00 65.21 H new ATOM 0 HA LEU A 51 19.777 -7.766 0.126 1.00 43.43 H new ATOM 0 HB2 LEU A 51 20.128 -4.806 0.709 1.00 34.41 H new ATOM 0 HB3 LEU A 51 20.351 -6.085 1.886 1.00 34.41 H new ATOM 0 HG LEU A 51 21.995 -5.691 -0.631 1.00 72.04 H new ATOM 0 HD11 LEU A 51 23.803 -5.099 0.933 1.00 70.24 H new ATOM 0 HD12 LEU A 51 22.425 -3.979 1.062 1.00 70.24 H new ATOM 0 HD13 LEU A 51 22.665 -5.240 2.294 1.00 70.24 H new ATOM 0 HD21 LEU A 51 23.441 -7.456 0.299 1.00 32.21 H new ATOM 0 HD22 LEU A 51 22.289 -7.690 1.635 1.00 32.21 H new ATOM 0 HD23 LEU A 51 21.799 -8.056 -0.036 1.00 32.21 H new ATOM 824 N GLU A 52 17.202 -5.825 0.019 1.00 33.32 N ATOM 825 CA GLU A 52 15.838 -5.631 0.497 1.00 23.25 C ATOM 826 C GLU A 52 14.874 -6.582 -0.206 1.00 5.11 C ATOM 827 O GLU A 52 13.672 -6.326 -0.279 1.00 23.15 O ATOM 828 CB GLU A 52 15.398 -4.183 0.274 1.00 54.22 C ATOM 829 CG GLU A 52 15.298 -3.796 -1.191 1.00 11.44 C ATOM 830 CD GLU A 52 14.489 -2.532 -1.407 1.00 4.50 C ATOM 831 OE1 GLU A 52 13.903 -2.027 -0.427 1.00 14.30 O ATOM 832 OE2 GLU A 52 14.442 -2.047 -2.558 1.00 64.04 O ATOM 0 H GLU A 52 17.428 -5.312 -0.833 1.00 33.32 H new ATOM 0 HA GLU A 52 15.820 -5.848 1.565 1.00 23.25 H new ATOM 0 HB2 GLU A 52 14.429 -4.030 0.749 1.00 54.22 H new ATOM 0 HB3 GLU A 52 16.104 -3.517 0.770 1.00 54.22 H new ATOM 0 HG2 GLU A 52 16.301 -3.655 -1.595 1.00 11.44 H new ATOM 0 HG3 GLU A 52 14.842 -4.614 -1.749 1.00 11.44 H new ATOM 839 N THR A 53 15.411 -7.682 -0.725 1.00 3.55 N ATOM 840 CA THR A 53 14.601 -8.670 -1.426 1.00 23.41 C ATOM 841 C THR A 53 15.155 -10.076 -1.226 1.00 64.53 C ATOM 842 O THR A 53 16.286 -10.369 -1.614 1.00 61.31 O ATOM 843 CB THR A 53 14.528 -8.370 -2.934 1.00 43.33 C ATOM 844 OG1 THR A 53 13.952 -9.484 -3.628 1.00 14.14 O ATOM 845 CG2 THR A 53 15.911 -8.077 -3.496 1.00 14.30 C ATOM 0 H THR A 53 16.404 -7.911 -0.673 1.00 3.55 H new ATOM 0 HA THR A 53 13.598 -8.613 -1.003 1.00 23.41 H new ATOM 0 HB THR A 53 13.901 -7.489 -3.076 1.00 43.33 H new ATOM 0 HG1 THR A 53 13.908 -9.285 -4.587 1.00 14.14 H new ATOM 0 HG21 THR A 53 15.833 -7.868 -4.563 1.00 14.30 H new ATOM 0 HG22 THR A 53 16.335 -7.212 -2.987 1.00 14.30 H new ATOM 0 HG23 THR A 53 16.557 -8.941 -3.342 1.00 14.30 H new ATOM 853 N SER A 54 14.351 -10.943 -0.618 1.00 23.31 N ATOM 854 CA SER A 54 14.763 -12.318 -0.363 1.00 62.34 C ATOM 855 C SER A 54 15.105 -13.034 -1.667 1.00 20.11 C ATOM 856 O SER A 54 15.831 -14.028 -1.670 1.00 11.44 O ATOM 857 CB SER A 54 13.656 -13.077 0.372 1.00 62.41 C ATOM 858 OG SER A 54 12.598 -12.207 0.736 1.00 65.54 O ATOM 0 H SER A 54 13.411 -10.717 -0.293 1.00 23.31 H new ATOM 0 HA SER A 54 15.655 -12.293 0.263 1.00 62.34 H new ATOM 0 HB2 SER A 54 13.273 -13.875 -0.265 1.00 62.41 H new ATOM 0 HB3 SER A 54 14.066 -13.550 1.264 1.00 62.41 H new ATOM 0 HG SER A 54 11.902 -12.715 1.203 1.00 65.54 H new ATOM 864 N GLU A 55 14.577 -12.519 -2.773 1.00 72.54 N ATOM 865 CA GLU A 55 14.825 -13.109 -4.084 1.00 72.33 C ATOM 866 C GLU A 55 16.067 -12.500 -4.727 1.00 63.41 C ATOM 867 O GLU A 55 16.989 -13.215 -5.120 1.00 13.52 O ATOM 868 CB GLU A 55 13.613 -12.906 -4.996 1.00 24.32 C ATOM 869 CG GLU A 55 12.298 -13.326 -4.364 1.00 60.42 C ATOM 870 CD GLU A 55 11.095 -12.908 -5.186 1.00 34.12 C ATOM 871 OE1 GLU A 55 10.898 -13.478 -6.280 1.00 53.42 O ATOM 872 OE2 GLU A 55 10.352 -12.010 -4.737 1.00 62.34 O ATOM 0 H GLU A 55 13.975 -11.695 -2.788 1.00 72.54 H new ATOM 0 HA GLU A 55 14.994 -14.177 -3.948 1.00 72.33 H new ATOM 0 HB2 GLU A 55 13.552 -11.854 -5.276 1.00 24.32 H new ATOM 0 HB3 GLU A 55 13.762 -13.473 -5.915 1.00 24.32 H new ATOM 0 HG2 GLU A 55 12.289 -14.409 -4.239 1.00 60.42 H new ATOM 0 HG3 GLU A 55 12.222 -12.889 -3.368 1.00 60.42 H new ATOM 879 N GLY A 56 16.085 -11.175 -4.830 1.00 63.12 N ATOM 880 CA GLY A 56 17.218 -10.492 -5.427 1.00 61.22 C ATOM 881 C GLY A 56 18.515 -10.772 -4.693 1.00 4.44 C ATOM 882 O GLY A 56 19.600 -10.580 -5.244 1.00 31.43 O ATOM 0 H GLY A 56 15.335 -10.562 -4.511 1.00 63.12 H new ATOM 0 HA2 GLY A 56 17.318 -10.802 -6.467 1.00 61.22 H new ATOM 0 HA3 GLY A 56 17.031 -9.418 -5.431 1.00 61.22 H new ATOM 886 N CYS A 57 18.404 -11.225 -3.450 1.00 62.11 N ATOM 887 CA CYS A 57 19.578 -11.529 -2.639 1.00 35.13 C ATOM 888 C CYS A 57 20.303 -12.760 -3.172 1.00 3.10 C ATOM 889 O CYS A 57 21.530 -12.781 -3.259 1.00 21.13 O ATOM 890 CB CYS A 57 19.173 -11.752 -1.181 1.00 52.44 C ATOM 891 SG CYS A 57 19.874 -10.550 -0.028 1.00 24.12 S ATOM 0 H CYS A 57 17.513 -11.390 -2.981 1.00 62.11 H new ATOM 0 HA CYS A 57 20.257 -10.678 -2.694 1.00 35.13 H new ATOM 0 HB2 CYS A 57 18.086 -11.718 -1.108 1.00 52.44 H new ATOM 0 HB3 CYS A 57 19.482 -12.753 -0.878 1.00 52.44 H new ATOM 0 HG CYS A 57 19.472 -10.821 1.178 1.00 24.12 H new ATOM 897 N ARG A 58 19.535 -13.786 -3.526 1.00 32.21 N ATOM 898 CA ARG A 58 20.104 -15.022 -4.048 1.00 70.53 C ATOM 899 C ARG A 58 21.054 -14.737 -5.208 1.00 21.40 C ATOM 900 O ARG A 58 22.014 -15.473 -5.431 1.00 22.45 O ATOM 901 CB ARG A 58 18.992 -15.968 -4.505 1.00 41.21 C ATOM 902 CG ARG A 58 18.918 -17.256 -3.702 1.00 33.13 C ATOM 903 CD ARG A 58 18.837 -18.474 -4.608 1.00 12.41 C ATOM 904 NE ARG A 58 18.926 -19.723 -3.856 1.00 13.24 N ATOM 905 CZ ARG A 58 18.982 -20.921 -4.426 1.00 71.21 C ATOM 906 NH1 ARG A 58 18.960 -21.033 -5.747 1.00 32.03 N ATOM 907 NH2 ARG A 58 19.062 -22.012 -3.673 1.00 54.12 N ATOM 0 H ARG A 58 18.517 -13.785 -3.461 1.00 32.21 H new ATOM 0 HA ARG A 58 20.670 -15.498 -3.247 1.00 70.53 H new ATOM 0 HB2 ARG A 58 18.035 -15.451 -4.435 1.00 41.21 H new ATOM 0 HB3 ARG A 58 19.145 -16.214 -5.556 1.00 41.21 H new ATOM 0 HG2 ARG A 58 19.795 -17.337 -3.060 1.00 33.13 H new ATOM 0 HG3 ARG A 58 18.046 -17.229 -3.048 1.00 33.13 H new ATOM 0 HD2 ARG A 58 17.899 -18.451 -5.163 1.00 12.41 H new ATOM 0 HD3 ARG A 58 19.642 -18.434 -5.341 1.00 12.41 H new ATOM 0 HE ARG A 58 18.946 -19.672 -2.837 1.00 13.24 H new ATOM 0 HH11 ARG A 58 18.900 -20.197 -6.329 1.00 32.03 H new ATOM 0 HH12 ARG A 58 19.003 -21.955 -6.181 1.00 32.03 H new ATOM 0 HH21 ARG A 58 19.080 -21.930 -2.656 1.00 54.12 H new ATOM 0 HH22 ARG A 58 19.105 -22.932 -4.111 1.00 54.12 H new ATOM 921 N GLN A 59 20.777 -13.664 -5.942 1.00 71.43 N ATOM 922 CA GLN A 59 21.606 -13.282 -7.079 1.00 23.33 C ATOM 923 C GLN A 59 22.990 -12.835 -6.618 1.00 42.12 C ATOM 924 O GLN A 59 23.991 -13.101 -7.284 1.00 30.13 O ATOM 925 CB GLN A 59 20.933 -12.162 -7.875 1.00 22.53 C ATOM 926 CG GLN A 59 20.696 -12.511 -9.335 1.00 34.44 C ATOM 927 CD GLN A 59 19.863 -11.469 -10.056 1.00 71.33 C ATOM 928 OE1 GLN A 59 20.396 -10.598 -10.742 1.00 44.41 O ATOM 929 NE2 GLN A 59 18.546 -11.555 -9.902 1.00 24.24 N ATOM 0 H GLN A 59 19.985 -13.044 -5.770 1.00 71.43 H new ATOM 0 HA GLN A 59 21.722 -14.155 -7.722 1.00 23.33 H new ATOM 0 HB2 GLN A 59 19.978 -11.919 -7.409 1.00 22.53 H new ATOM 0 HB3 GLN A 59 21.552 -11.266 -7.820 1.00 22.53 H new ATOM 0 HG2 GLN A 59 21.656 -12.616 -9.840 1.00 34.44 H new ATOM 0 HG3 GLN A 59 20.196 -13.477 -9.397 1.00 34.44 H new ATOM 0 HE21 GLN A 59 18.147 -12.294 -9.323 1.00 24.24 H new ATOM 0 HE22 GLN A 59 17.934 -10.882 -10.362 1.00 24.24 H new ATOM 938 N ILE A 60 23.037 -12.155 -5.478 1.00 52.13 N ATOM 939 CA ILE A 60 24.298 -11.672 -4.929 1.00 41.33 C ATOM 940 C ILE A 60 25.201 -12.832 -4.523 1.00 51.33 C ATOM 941 O ILE A 60 26.304 -12.988 -5.048 1.00 2.41 O ATOM 942 CB ILE A 60 24.069 -10.763 -3.707 1.00 50.24 C ATOM 943 CG1 ILE A 60 23.120 -9.617 -4.067 1.00 44.45 C ATOM 944 CG2 ILE A 60 25.394 -10.219 -3.196 1.00 22.42 C ATOM 945 CD1 ILE A 60 22.652 -8.821 -2.870 1.00 73.24 C ATOM 0 H ILE A 60 22.217 -11.926 -4.916 1.00 52.13 H new ATOM 0 HA ILE A 60 24.784 -11.094 -5.715 1.00 41.33 H new ATOM 0 HB ILE A 60 23.611 -11.354 -2.914 1.00 50.24 H new ATOM 0 HG12 ILE A 60 23.621 -8.947 -4.765 1.00 44.45 H new ATOM 0 HG13 ILE A 60 22.251 -10.024 -4.584 1.00 44.45 H new ATOM 0 HG21 ILE A 60 25.216 -9.578 -2.332 1.00 22.42 H new ATOM 0 HG22 ILE A 60 26.040 -11.048 -2.906 1.00 22.42 H new ATOM 0 HG23 ILE A 60 25.878 -9.640 -3.983 1.00 22.42 H new ATOM 0 HD11 ILE A 60 21.983 -8.026 -3.200 1.00 73.24 H new ATOM 0 HD12 ILE A 60 22.122 -9.478 -2.181 1.00 73.24 H new ATOM 0 HD13 ILE A 60 23.513 -8.384 -2.365 1.00 73.24 H new ATOM 957 N LEU A 61 24.725 -13.645 -3.586 1.00 21.21 N ATOM 958 CA LEU A 61 25.489 -14.793 -3.109 1.00 51.14 C ATOM 959 C LEU A 61 25.902 -15.692 -4.271 1.00 71.30 C ATOM 960 O LEU A 61 26.928 -16.368 -4.211 1.00 11.44 O ATOM 961 CB LEU A 61 24.667 -15.593 -2.097 1.00 1.01 C ATOM 962 CG LEU A 61 24.121 -14.806 -0.905 1.00 21.21 C ATOM 963 CD1 LEU A 61 22.862 -15.465 -0.363 1.00 35.42 C ATOM 964 CD2 LEU A 61 25.176 -14.691 0.185 1.00 34.03 C ATOM 0 H LEU A 61 23.814 -13.531 -3.142 1.00 21.21 H new ATOM 0 HA LEU A 61 26.391 -14.422 -2.622 1.00 51.14 H new ATOM 0 HB2 LEU A 61 23.827 -16.050 -2.621 1.00 1.01 H new ATOM 0 HB3 LEU A 61 25.286 -16.406 -1.717 1.00 1.01 H new ATOM 0 HG LEU A 61 23.865 -13.802 -1.243 1.00 21.21 H new ATOM 0 HD11 LEU A 61 22.487 -14.892 0.485 1.00 35.42 H new ATOM 0 HD12 LEU A 61 22.102 -15.496 -1.144 1.00 35.42 H new ATOM 0 HD13 LEU A 61 23.093 -16.480 -0.041 1.00 35.42 H new ATOM 0 HD21 LEU A 61 24.771 -14.128 1.026 1.00 34.03 H new ATOM 0 HD22 LEU A 61 25.463 -15.688 0.520 1.00 34.03 H new ATOM 0 HD23 LEU A 61 26.051 -14.175 -0.209 1.00 34.03 H new ATOM 976 N GLY A 62 25.095 -15.693 -5.327 1.00 41.42 N ATOM 977 CA GLY A 62 25.394 -16.511 -6.489 1.00 34.55 C ATOM 978 C GLY A 62 26.650 -16.060 -7.206 1.00 1.54 C ATOM 979 O GLY A 62 27.243 -16.822 -7.969 1.00 71.01 O ATOM 0 H GLY A 62 24.239 -15.142 -5.399 1.00 41.42 H new ATOM 0 HA2 GLY A 62 25.509 -17.550 -6.179 1.00 34.55 H new ATOM 0 HA3 GLY A 62 24.552 -16.476 -7.180 1.00 34.55 H new ATOM 983 N GLN A 63 27.054 -14.817 -6.965 1.00 12.33 N ATOM 984 CA GLN A 63 28.247 -14.265 -7.597 1.00 42.45 C ATOM 985 C GLN A 63 29.413 -14.223 -6.616 1.00 12.44 C ATOM 986 O GLN A 63 30.576 -14.327 -7.011 1.00 75.15 O ATOM 987 CB GLN A 63 27.963 -12.861 -8.132 1.00 31.24 C ATOM 988 CG GLN A 63 29.206 -12.130 -8.613 1.00 42.12 C ATOM 989 CD GLN A 63 28.878 -10.857 -9.368 1.00 25.34 C ATOM 990 OE1 GLN A 63 29.065 -9.752 -8.856 1.00 62.24 O ATOM 991 NE2 GLN A 63 28.388 -11.004 -10.594 1.00 25.13 N ATOM 0 H GLN A 63 26.573 -14.173 -6.337 1.00 12.33 H new ATOM 0 HA GLN A 63 28.520 -14.914 -8.429 1.00 42.45 H new ATOM 0 HB2 GLN A 63 27.252 -12.932 -8.955 1.00 31.24 H new ATOM 0 HB3 GLN A 63 27.486 -12.272 -7.348 1.00 31.24 H new ATOM 0 HG2 GLN A 63 29.835 -11.888 -7.756 1.00 42.12 H new ATOM 0 HG3 GLN A 63 29.785 -12.791 -9.257 1.00 42.12 H new ATOM 0 HE21 GLN A 63 28.249 -11.938 -10.979 1.00 25.13 H new ATOM 0 HE22 GLN A 63 28.151 -10.183 -11.150 1.00 25.13 H new ATOM 1000 N LEU A 64 29.096 -14.068 -5.335 1.00 23.45 N ATOM 1001 CA LEU A 64 30.120 -14.011 -4.296 1.00 55.42 C ATOM 1002 C LEU A 64 30.563 -15.413 -3.892 1.00 72.43 C ATOM 1003 O LEU A 64 31.684 -15.608 -3.423 1.00 24.23 O ATOM 1004 CB LEU A 64 29.590 -13.260 -3.073 1.00 13.32 C ATOM 1005 CG LEU A 64 29.109 -11.828 -3.321 1.00 63.14 C ATOM 1006 CD1 LEU A 64 28.675 -11.179 -2.016 1.00 51.44 C ATOM 1007 CD2 LEU A 64 30.201 -11.007 -3.990 1.00 62.33 C ATOM 0 H LEU A 64 28.140 -13.980 -4.991 1.00 23.45 H new ATOM 0 HA LEU A 64 30.982 -13.479 -4.698 1.00 55.42 H new ATOM 0 HB2 LEU A 64 28.764 -13.832 -2.650 1.00 13.32 H new ATOM 0 HB3 LEU A 64 30.377 -13.232 -2.319 1.00 13.32 H new ATOM 0 HG LEU A 64 28.249 -11.864 -3.990 1.00 63.14 H new ATOM 0 HD11 LEU A 64 28.336 -10.161 -2.211 1.00 51.44 H new ATOM 0 HD12 LEU A 64 27.861 -11.755 -1.576 1.00 51.44 H new ATOM 0 HD13 LEU A 64 29.517 -11.155 -1.324 1.00 51.44 H new ATOM 0 HD21 LEU A 64 29.841 -9.992 -4.159 1.00 62.33 H new ATOM 0 HD22 LEU A 64 31.080 -10.978 -3.347 1.00 62.33 H new ATOM 0 HD23 LEU A 64 30.465 -11.462 -4.945 1.00 62.33 H new ATOM 1019 N GLN A 65 29.677 -16.385 -4.078 1.00 64.43 N ATOM 1020 CA GLN A 65 29.979 -17.771 -3.735 1.00 34.33 C ATOM 1021 C GLN A 65 31.294 -18.215 -4.368 1.00 14.23 C ATOM 1022 O GLN A 65 32.254 -18.565 -3.683 1.00 4.30 O ATOM 1023 CB GLN A 65 28.844 -18.690 -4.188 1.00 63.34 C ATOM 1024 CG GLN A 65 27.962 -19.174 -3.049 1.00 10.32 C ATOM 1025 CD GLN A 65 26.892 -20.145 -3.511 1.00 14.15 C ATOM 1026 OE1 GLN A 65 26.917 -21.325 -3.163 1.00 73.23 O ATOM 1027 NE2 GLN A 65 25.945 -19.650 -4.300 1.00 42.11 N ATOM 0 H GLN A 65 28.744 -16.240 -4.464 1.00 64.43 H new ATOM 0 HA GLN A 65 30.079 -17.837 -2.652 1.00 34.33 H new ATOM 0 HB2 GLN A 65 28.227 -18.161 -4.914 1.00 63.34 H new ATOM 0 HB3 GLN A 65 29.269 -19.554 -4.700 1.00 63.34 H new ATOM 0 HG2 GLN A 65 28.583 -19.656 -2.293 1.00 10.32 H new ATOM 0 HG3 GLN A 65 27.488 -18.316 -2.572 1.00 10.32 H new ATOM 0 HE21 GLN A 65 25.964 -18.665 -4.563 1.00 42.11 H new ATOM 0 HE22 GLN A 65 25.199 -20.255 -4.643 1.00 42.11 H new ATOM 1036 N PRO A 66 31.339 -18.199 -5.709 1.00 30.50 N ATOM 1037 CA PRO A 66 32.530 -18.597 -6.465 1.00 64.55 C ATOM 1038 C PRO A 66 33.672 -17.597 -6.317 1.00 43.43 C ATOM 1039 O PRO A 66 34.824 -17.907 -6.619 1.00 30.42 O ATOM 1040 CB PRO A 66 32.036 -18.635 -7.913 1.00 0.51 C ATOM 1041 CG PRO A 66 30.881 -17.694 -7.943 1.00 71.33 C ATOM 1042 CD PRO A 66 30.231 -17.793 -6.590 1.00 30.22 C ATOM 0 HA PRO A 66 32.936 -19.546 -6.115 1.00 64.55 H new ATOM 0 HB2 PRO A 66 32.818 -18.325 -8.606 1.00 0.51 H new ATOM 0 HB3 PRO A 66 31.734 -19.642 -8.202 1.00 0.51 H new ATOM 0 HG2 PRO A 66 31.213 -16.675 -8.143 1.00 71.33 H new ATOM 0 HG3 PRO A 66 30.180 -17.962 -8.733 1.00 71.33 H new ATOM 0 HD2 PRO A 66 29.800 -16.841 -6.281 1.00 30.22 H new ATOM 0 HD3 PRO A 66 29.424 -18.526 -6.584 1.00 30.22 H new ATOM 1050 N SER A 67 33.344 -16.396 -5.852 1.00 53.25 N ATOM 1051 CA SER A 67 34.341 -15.349 -5.667 1.00 1.14 C ATOM 1052 C SER A 67 34.729 -15.221 -4.198 1.00 30.15 C ATOM 1053 O SER A 67 35.143 -14.153 -3.744 1.00 30.53 O ATOM 1054 CB SER A 67 33.809 -14.011 -6.185 1.00 11.01 C ATOM 1055 OG SER A 67 33.436 -14.104 -7.549 1.00 41.11 O ATOM 0 H SER A 67 32.395 -16.124 -5.596 1.00 53.25 H new ATOM 0 HA SER A 67 35.229 -15.623 -6.236 1.00 1.14 H new ATOM 0 HB2 SER A 67 32.949 -13.703 -5.590 1.00 11.01 H new ATOM 0 HB3 SER A 67 34.572 -13.242 -6.065 1.00 11.01 H new ATOM 0 HG SER A 67 32.461 -14.177 -7.617 1.00 41.11 H new ATOM 1061 N LEU A 68 34.591 -16.316 -3.458 1.00 12.44 N ATOM 1062 CA LEU A 68 34.926 -16.328 -2.038 1.00 4.23 C ATOM 1063 C LEU A 68 36.433 -16.450 -1.836 1.00 10.45 C ATOM 1064 O LEU A 68 36.996 -15.850 -0.921 1.00 33.13 O ATOM 1065 CB LEU A 68 34.211 -17.483 -1.335 1.00 34.03 C ATOM 1066 CG LEU A 68 32.878 -17.139 -0.668 1.00 25.30 C ATOM 1067 CD1 LEU A 68 32.167 -18.405 -0.215 1.00 55.33 C ATOM 1068 CD2 LEU A 68 33.097 -16.198 0.507 1.00 61.11 C ATOM 0 H LEU A 68 34.249 -17.207 -3.818 1.00 12.44 H new ATOM 0 HA LEU A 68 34.594 -15.385 -1.603 1.00 4.23 H new ATOM 0 HB2 LEU A 68 34.036 -18.274 -2.064 1.00 34.03 H new ATOM 0 HB3 LEU A 68 34.880 -17.891 -0.577 1.00 34.03 H new ATOM 0 HG LEU A 68 32.247 -16.634 -1.399 1.00 25.30 H new ATOM 0 HD11 LEU A 68 31.221 -18.142 0.257 1.00 55.33 H new ATOM 0 HD12 LEU A 68 31.977 -19.044 -1.077 1.00 55.33 H new ATOM 0 HD13 LEU A 68 32.793 -18.938 0.500 1.00 55.33 H new ATOM 0 HD21 LEU A 68 32.138 -15.964 0.969 1.00 61.11 H new ATOM 0 HD22 LEU A 68 33.746 -16.676 1.240 1.00 61.11 H new ATOM 0 HD23 LEU A 68 33.564 -15.278 0.154 1.00 61.11 H new ATOM 1080 N GLN A 69 37.080 -17.228 -2.698 1.00 71.43 N ATOM 1081 CA GLN A 69 38.522 -17.427 -2.614 1.00 32.04 C ATOM 1082 C GLN A 69 39.267 -16.332 -3.371 1.00 62.45 C ATOM 1083 O GLN A 69 40.245 -15.773 -2.873 1.00 11.41 O ATOM 1084 CB GLN A 69 38.903 -18.799 -3.172 1.00 35.21 C ATOM 1085 CG GLN A 69 40.403 -19.036 -3.234 1.00 42.22 C ATOM 1086 CD GLN A 69 40.790 -20.439 -2.811 1.00 2.42 C ATOM 1087 OE1 GLN A 69 40.540 -21.407 -3.530 1.00 63.44 O ATOM 1088 NE2 GLN A 69 41.404 -20.556 -1.641 1.00 24.45 N ATOM 0 H GLN A 69 36.629 -17.731 -3.462 1.00 71.43 H new ATOM 0 HA GLN A 69 38.809 -17.378 -1.564 1.00 32.04 H new ATOM 0 HB2 GLN A 69 38.447 -19.573 -2.554 1.00 35.21 H new ATOM 0 HB3 GLN A 69 38.486 -18.903 -4.173 1.00 35.21 H new ATOM 0 HG2 GLN A 69 40.753 -18.857 -4.251 1.00 42.22 H new ATOM 0 HG3 GLN A 69 40.908 -18.315 -2.591 1.00 42.22 H new ATOM 0 HE21 GLN A 69 41.591 -19.726 -1.078 1.00 24.45 H new ATOM 0 HE22 GLN A 69 41.689 -21.476 -1.304 1.00 24.45 H new ATOM 1097 N THR A 70 38.799 -16.031 -4.578 1.00 44.20 N ATOM 1098 CA THR A 70 39.422 -15.005 -5.405 1.00 52.12 C ATOM 1099 C THR A 70 39.152 -13.612 -4.848 1.00 5.05 C ATOM 1100 O THR A 70 39.980 -12.710 -4.978 1.00 60.33 O ATOM 1101 CB THR A 70 38.917 -15.071 -6.858 1.00 42.35 C ATOM 1102 OG1 THR A 70 38.237 -16.312 -7.085 1.00 13.55 O ATOM 1103 CG2 THR A 70 40.070 -14.934 -7.840 1.00 3.33 C ATOM 0 H THR A 70 37.990 -16.483 -5.005 1.00 44.20 H new ATOM 0 HA THR A 70 40.495 -15.197 -5.392 1.00 52.12 H new ATOM 0 HB THR A 70 38.226 -14.243 -7.016 1.00 42.35 H new ATOM 0 HG1 THR A 70 37.917 -16.345 -8.011 1.00 13.55 H new ATOM 0 HG21 THR A 70 39.688 -14.984 -8.859 1.00 3.33 H new ATOM 0 HG22 THR A 70 40.568 -13.977 -7.685 1.00 3.33 H new ATOM 0 HG23 THR A 70 40.782 -15.743 -7.680 1.00 3.33 H new ATOM 1111 N GLY A 71 37.989 -13.442 -4.228 1.00 51.24 N ATOM 1112 CA GLY A 71 37.631 -12.156 -3.660 1.00 32.24 C ATOM 1113 C GLY A 71 38.518 -11.770 -2.492 1.00 24.21 C ATOM 1114 O GLY A 71 39.312 -12.581 -2.013 1.00 12.45 O ATOM 0 H GLY A 71 37.288 -14.173 -4.109 1.00 51.24 H new ATOM 0 HA2 GLY A 71 37.699 -11.390 -4.432 1.00 32.24 H new ATOM 0 HA3 GLY A 71 36.593 -12.185 -3.330 1.00 32.24 H new ATOM 1118 N SER A 72 38.385 -10.531 -2.033 1.00 12.43 N ATOM 1119 CA SER A 72 39.184 -10.038 -0.918 1.00 25.04 C ATOM 1120 C SER A 72 38.358 -9.990 0.364 1.00 41.33 C ATOM 1121 O SER A 72 37.211 -10.434 0.391 1.00 14.32 O ATOM 1122 CB SER A 72 39.736 -8.646 -1.234 1.00 61.23 C ATOM 1123 OG SER A 72 38.690 -7.699 -1.357 1.00 0.33 O ATOM 0 H SER A 72 37.731 -9.849 -2.416 1.00 12.43 H new ATOM 0 HA SER A 72 40.016 -10.726 -0.768 1.00 25.04 H new ATOM 0 HB2 SER A 72 40.421 -8.335 -0.445 1.00 61.23 H new ATOM 0 HB3 SER A 72 40.310 -8.681 -2.160 1.00 61.23 H new ATOM 0 HG SER A 72 39.069 -6.818 -1.557 1.00 0.33 H new ATOM 1129 N GLU A 73 38.952 -9.450 1.423 1.00 33.43 N ATOM 1130 CA GLU A 73 38.271 -9.345 2.708 1.00 70.53 C ATOM 1131 C GLU A 73 36.937 -8.619 2.561 1.00 42.40 C ATOM 1132 O GLU A 73 35.990 -8.883 3.301 1.00 41.42 O ATOM 1133 CB GLU A 73 39.154 -8.611 3.720 1.00 64.31 C ATOM 1134 CG GLU A 73 39.611 -7.242 3.248 1.00 21.04 C ATOM 1135 CD GLU A 73 41.122 -7.118 3.192 1.00 53.15 C ATOM 1136 OE1 GLU A 73 41.716 -7.560 2.187 1.00 32.01 O ATOM 1137 OE2 GLU A 73 41.708 -6.579 4.154 1.00 42.43 O ATOM 0 H GLU A 73 39.902 -9.079 1.417 1.00 33.43 H new ATOM 0 HA GLU A 73 38.077 -10.355 3.070 1.00 70.53 H new ATOM 0 HB2 GLU A 73 38.605 -8.499 4.655 1.00 64.31 H new ATOM 0 HB3 GLU A 73 40.030 -9.223 3.936 1.00 64.31 H new ATOM 0 HG2 GLU A 73 39.197 -7.046 2.259 1.00 21.04 H new ATOM 0 HG3 GLU A 73 39.212 -6.479 3.917 1.00 21.04 H new ATOM 1144 N GLU A 74 36.872 -7.703 1.600 1.00 2.45 N ATOM 1145 CA GLU A 74 35.656 -6.937 1.355 1.00 73.45 C ATOM 1146 C GLU A 74 34.510 -7.856 0.939 1.00 4.42 C ATOM 1147 O GLU A 74 33.343 -7.580 1.222 1.00 3.21 O ATOM 1148 CB GLU A 74 35.898 -5.883 0.274 1.00 72.31 C ATOM 1149 CG GLU A 74 37.022 -4.916 0.608 1.00 61.05 C ATOM 1150 CD GLU A 74 37.448 -4.083 -0.585 1.00 44.21 C ATOM 1151 OE1 GLU A 74 36.650 -3.231 -1.029 1.00 42.22 O ATOM 1152 OE2 GLU A 74 38.579 -4.282 -1.074 1.00 64.11 O ATOM 0 H GLU A 74 37.647 -7.473 0.978 1.00 2.45 H new ATOM 0 HA GLU A 74 35.380 -6.436 2.283 1.00 73.45 H new ATOM 0 HB2 GLU A 74 36.129 -6.385 -0.666 1.00 72.31 H new ATOM 0 HB3 GLU A 74 34.979 -5.318 0.117 1.00 72.31 H new ATOM 0 HG2 GLU A 74 36.700 -4.254 1.412 1.00 61.05 H new ATOM 0 HG3 GLU A 74 37.880 -5.476 0.980 1.00 61.05 H new ATOM 1159 N LEU A 75 34.851 -8.947 0.263 1.00 52.45 N ATOM 1160 CA LEU A 75 33.852 -9.907 -0.195 1.00 33.22 C ATOM 1161 C LEU A 75 33.370 -10.784 0.957 1.00 23.32 C ATOM 1162 O LEU A 75 32.187 -11.109 1.051 1.00 4.04 O ATOM 1163 CB LEU A 75 34.429 -10.781 -1.309 1.00 54.24 C ATOM 1164 CG LEU A 75 33.436 -11.260 -2.369 1.00 55.24 C ATOM 1165 CD1 LEU A 75 34.010 -11.069 -3.764 1.00 1.45 C ATOM 1166 CD2 LEU A 75 33.070 -12.718 -2.136 1.00 63.35 C ATOM 0 H LEU A 75 35.811 -9.189 0.020 1.00 52.45 H new ATOM 0 HA LEU A 75 33.000 -9.349 -0.584 1.00 33.22 H new ATOM 0 HB2 LEU A 75 35.221 -10.223 -1.808 1.00 54.24 H new ATOM 0 HB3 LEU A 75 34.894 -11.656 -0.854 1.00 54.24 H new ATOM 0 HG LEU A 75 32.529 -10.661 -2.287 1.00 55.24 H new ATOM 0 HD11 LEU A 75 33.289 -11.415 -4.505 1.00 1.45 H new ATOM 0 HD12 LEU A 75 34.221 -10.012 -3.929 1.00 1.45 H new ATOM 0 HD13 LEU A 75 34.932 -11.642 -3.860 1.00 1.45 H new ATOM 0 HD21 LEU A 75 32.363 -13.042 -2.899 1.00 63.35 H new ATOM 0 HD22 LEU A 75 33.969 -13.332 -2.190 1.00 63.35 H new ATOM 0 HD23 LEU A 75 32.616 -12.826 -1.151 1.00 63.35 H new ATOM 1178 N ARG A 76 34.296 -11.161 1.833 1.00 63.14 N ATOM 1179 CA ARG A 76 33.967 -11.999 2.980 1.00 63.22 C ATOM 1180 C ARG A 76 32.883 -11.349 3.834 1.00 30.11 C ATOM 1181 O ARG A 76 31.848 -11.956 4.110 1.00 20.32 O ATOM 1182 CB ARG A 76 35.214 -12.255 3.827 1.00 24.23 C ATOM 1183 CG ARG A 76 35.701 -13.693 3.775 1.00 25.34 C ATOM 1184 CD ARG A 76 35.441 -14.417 5.087 1.00 23.13 C ATOM 1185 NE ARG A 76 36.213 -13.849 6.189 1.00 63.11 N ATOM 1186 CZ ARG A 76 36.193 -14.331 7.426 1.00 42.05 C ATOM 1187 NH1 ARG A 76 35.443 -15.385 7.718 1.00 52.13 N ATOM 1188 NH2 ARG A 76 36.923 -13.760 8.375 1.00 10.13 N ATOM 0 H ARG A 76 35.280 -10.899 1.770 1.00 63.14 H new ATOM 0 HA ARG A 76 33.589 -12.951 2.606 1.00 63.22 H new ATOM 0 HB2 ARG A 76 36.014 -11.597 3.488 1.00 24.23 H new ATOM 0 HB3 ARG A 76 35.000 -11.990 4.862 1.00 24.23 H new ATOM 0 HG2 ARG A 76 35.200 -14.219 2.962 1.00 25.34 H new ATOM 0 HG3 ARG A 76 36.768 -13.709 3.555 1.00 25.34 H new ATOM 0 HD2 ARG A 76 34.378 -14.366 5.325 1.00 23.13 H new ATOM 0 HD3 ARG A 76 35.692 -15.472 4.975 1.00 23.13 H new ATOM 0 HE ARG A 76 36.800 -13.037 5.998 1.00 63.11 H new ATOM 0 HH11 ARG A 76 34.880 -15.827 6.992 1.00 52.13 H new ATOM 0 HH12 ARG A 76 35.429 -15.753 8.669 1.00 52.13 H new ATOM 0 HH21 ARG A 76 37.501 -12.949 8.155 1.00 10.13 H new ATOM 0 HH22 ARG A 76 36.906 -14.132 9.325 1.00 10.13 H new ATOM 1202 N SER A 77 33.128 -10.111 4.251 1.00 31.24 N ATOM 1203 CA SER A 77 32.175 -9.379 5.078 1.00 62.11 C ATOM 1204 C SER A 77 30.795 -9.360 4.428 1.00 73.23 C ATOM 1205 O SER A 77 29.776 -9.512 5.104 1.00 63.30 O ATOM 1206 CB SER A 77 32.662 -7.948 5.310 1.00 2.41 C ATOM 1207 OG SER A 77 33.580 -7.890 6.388 1.00 21.14 O ATOM 0 H SER A 77 33.979 -9.593 4.030 1.00 31.24 H new ATOM 0 HA SER A 77 32.098 -9.889 6.038 1.00 62.11 H new ATOM 0 HB2 SER A 77 33.136 -7.570 4.404 1.00 2.41 H new ATOM 0 HB3 SER A 77 31.811 -7.300 5.518 1.00 2.41 H new ATOM 0 HG SER A 77 33.878 -6.965 6.515 1.00 21.14 H new ATOM 1213 N LEU A 78 30.769 -9.173 3.114 1.00 4.14 N ATOM 1214 CA LEU A 78 29.515 -9.133 2.370 1.00 32.31 C ATOM 1215 C LEU A 78 28.782 -10.467 2.469 1.00 41.40 C ATOM 1216 O LEU A 78 27.639 -10.527 2.923 1.00 34.35 O ATOM 1217 CB LEU A 78 29.779 -8.790 0.904 1.00 62.14 C ATOM 1218 CG LEU A 78 29.440 -7.362 0.476 1.00 12.04 C ATOM 1219 CD1 LEU A 78 27.975 -7.056 0.751 1.00 31.35 C ATOM 1220 CD2 LEU A 78 30.338 -6.363 1.192 1.00 44.33 C ATOM 0 H LEU A 78 31.603 -9.046 2.541 1.00 4.14 H new ATOM 0 HA LEU A 78 28.885 -8.359 2.809 1.00 32.31 H new ATOM 0 HB2 LEU A 78 30.833 -8.970 0.694 1.00 62.14 H new ATOM 0 HB3 LEU A 78 29.208 -9.479 0.282 1.00 62.14 H new ATOM 0 HG LEU A 78 29.614 -7.274 -0.596 1.00 12.04 H new ATOM 0 HD11 LEU A 78 27.752 -6.035 0.440 1.00 31.35 H new ATOM 0 HD12 LEU A 78 27.347 -7.751 0.193 1.00 31.35 H new ATOM 0 HD13 LEU A 78 27.775 -7.162 1.817 1.00 31.35 H new ATOM 0 HD21 LEU A 78 30.083 -5.352 0.875 1.00 44.33 H new ATOM 0 HD22 LEU A 78 30.196 -6.453 2.269 1.00 44.33 H new ATOM 0 HD23 LEU A 78 31.380 -6.568 0.945 1.00 44.33 H new ATOM 1232 N TYR A 79 29.446 -11.535 2.042 1.00 5.05 N ATOM 1233 CA TYR A 79 28.859 -12.869 2.082 1.00 13.45 C ATOM 1234 C TYR A 79 28.322 -13.186 3.474 1.00 11.22 C ATOM 1235 O TYR A 79 27.355 -13.931 3.623 1.00 33.10 O ATOM 1236 CB TYR A 79 29.893 -13.917 1.670 1.00 71.01 C ATOM 1237 CG TYR A 79 29.282 -15.209 1.176 1.00 72.11 C ATOM 1238 CD1 TYR A 79 28.531 -15.242 0.007 1.00 35.31 C ATOM 1239 CD2 TYR A 79 29.454 -16.396 1.877 1.00 35.13 C ATOM 1240 CE1 TYR A 79 27.969 -16.420 -0.448 1.00 5.45 C ATOM 1241 CE2 TYR A 79 28.898 -17.578 1.429 1.00 51.32 C ATOM 1242 CZ TYR A 79 28.157 -17.584 0.266 1.00 43.15 C ATOM 1243 OH TYR A 79 27.599 -18.760 -0.184 1.00 25.34 O ATOM 0 H TYR A 79 30.393 -11.503 1.664 1.00 5.05 H new ATOM 0 HA TYR A 79 28.027 -12.894 1.378 1.00 13.45 H new ATOM 0 HB2 TYR A 79 30.527 -13.502 0.886 1.00 71.01 H new ATOM 0 HB3 TYR A 79 30.539 -14.132 2.521 1.00 71.01 H new ATOM 0 HD1 TYR A 79 28.384 -14.332 -0.555 1.00 35.31 H new ATOM 0 HD2 TYR A 79 30.033 -16.394 2.789 1.00 35.13 H new ATOM 0 HE1 TYR A 79 27.386 -16.428 -1.357 1.00 5.45 H new ATOM 0 HE2 TYR A 79 29.043 -18.492 1.986 1.00 51.32 H new ATOM 0 HH TYR A 79 27.827 -19.487 0.432 1.00 25.34 H new ATOM 1253 N ASN A 80 28.958 -12.613 4.491 1.00 60.52 N ATOM 1254 CA ASN A 80 28.546 -12.834 5.872 1.00 23.11 C ATOM 1255 C ASN A 80 27.208 -12.158 6.155 1.00 60.42 C ATOM 1256 O ASN A 80 26.260 -12.798 6.612 1.00 61.14 O ATOM 1257 CB ASN A 80 29.611 -12.305 6.836 1.00 40.44 C ATOM 1258 CG ASN A 80 30.792 -13.248 6.965 1.00 73.11 C ATOM 1259 OD1 ASN A 80 30.625 -14.434 7.250 1.00 12.14 O ATOM 1260 ND2 ASN A 80 31.994 -12.722 6.759 1.00 43.54 N ATOM 0 H ASN A 80 29.760 -11.992 4.384 1.00 60.52 H new ATOM 0 HA ASN A 80 28.430 -13.907 6.023 1.00 23.11 H new ATOM 0 HB2 ASN A 80 29.962 -11.333 6.488 1.00 40.44 H new ATOM 0 HB3 ASN A 80 29.164 -12.150 7.818 1.00 40.44 H new ATOM 0 HD21 ASN A 80 32.826 -13.307 6.835 1.00 43.54 H new ATOM 0 HD22 ASN A 80 32.085 -11.733 6.525 1.00 43.54 H new ATOM 1267 N THR A 81 27.137 -10.859 5.881 1.00 21.32 N ATOM 1268 CA THR A 81 25.917 -10.096 6.106 1.00 33.11 C ATOM 1269 C THR A 81 24.790 -10.580 5.201 1.00 12.20 C ATOM 1270 O THR A 81 23.699 -10.904 5.671 1.00 12.52 O ATOM 1271 CB THR A 81 26.142 -8.591 5.864 1.00 74.42 C ATOM 1272 OG1 THR A 81 27.259 -8.133 6.637 1.00 43.43 O ATOM 1273 CG2 THR A 81 24.902 -7.792 6.235 1.00 41.42 C ATOM 0 H THR A 81 27.911 -10.314 5.503 1.00 21.32 H new ATOM 0 HA THR A 81 25.636 -10.252 7.148 1.00 33.11 H new ATOM 0 HB THR A 81 26.347 -8.442 4.804 1.00 74.42 H new ATOM 0 HG1 THR A 81 28.089 -8.482 6.251 1.00 43.43 H new ATOM 0 HG21 THR A 81 25.085 -6.732 6.056 1.00 41.42 H new ATOM 0 HG22 THR A 81 24.060 -8.123 5.627 1.00 41.42 H new ATOM 0 HG23 THR A 81 24.671 -7.947 7.289 1.00 41.42 H new ATOM 1281 N ILE A 82 25.061 -10.629 3.901 1.00 62.23 N ATOM 1282 CA ILE A 82 24.070 -11.077 2.931 1.00 42.10 C ATOM 1283 C ILE A 82 23.489 -12.431 3.322 1.00 20.31 C ATOM 1284 O ILE A 82 22.340 -12.739 3.008 1.00 41.22 O ATOM 1285 CB ILE A 82 24.673 -11.179 1.517 1.00 31.04 C ATOM 1286 CG1 ILE A 82 25.238 -9.825 1.081 1.00 43.43 C ATOM 1287 CG2 ILE A 82 23.624 -11.665 0.528 1.00 54.43 C ATOM 1288 CD1 ILE A 82 26.205 -9.920 -0.078 1.00 23.42 C ATOM 0 H ILE A 82 25.959 -10.364 3.495 1.00 62.23 H new ATOM 0 HA ILE A 82 23.275 -10.332 2.926 1.00 42.10 H new ATOM 0 HB ILE A 82 25.488 -11.902 1.537 1.00 31.04 H new ATOM 0 HG12 ILE A 82 24.413 -9.169 0.803 1.00 43.43 H new ATOM 0 HG13 ILE A 82 25.743 -9.361 1.928 1.00 43.43 H new ATOM 0 HG21 ILE A 82 24.065 -11.732 -0.467 1.00 54.43 H new ATOM 0 HG22 ILE A 82 23.265 -12.648 0.833 1.00 54.43 H new ATOM 0 HG23 ILE A 82 22.790 -10.964 0.508 1.00 54.43 H new ATOM 0 HD11 ILE A 82 26.566 -8.924 -0.334 1.00 23.42 H new ATOM 0 HD12 ILE A 82 27.049 -10.550 0.203 1.00 23.42 H new ATOM 0 HD13 ILE A 82 25.699 -10.355 -0.940 1.00 23.42 H new ATOM 1300 N ALA A 83 24.291 -13.235 4.012 1.00 72.32 N ATOM 1301 CA ALA A 83 23.856 -14.555 4.451 1.00 60.42 C ATOM 1302 C ALA A 83 22.780 -14.449 5.526 1.00 55.12 C ATOM 1303 O ALA A 83 21.678 -14.977 5.371 1.00 42.00 O ATOM 1304 CB ALA A 83 25.041 -15.358 4.967 1.00 2.44 C ATOM 0 H ALA A 83 25.246 -12.995 4.279 1.00 72.32 H new ATOM 0 HA ALA A 83 23.427 -15.072 3.593 1.00 60.42 H new ATOM 0 HB1 ALA A 83 24.701 -16.341 5.291 1.00 2.44 H new ATOM 0 HB2 ALA A 83 25.777 -15.473 4.171 1.00 2.44 H new ATOM 0 HB3 ALA A 83 25.496 -14.836 5.809 1.00 2.44 H new ATOM 1310 N VAL A 84 23.105 -13.762 6.618 1.00 62.14 N ATOM 1311 CA VAL A 84 22.165 -13.587 7.719 1.00 50.31 C ATOM 1312 C VAL A 84 20.902 -12.871 7.254 1.00 74.20 C ATOM 1313 O VAL A 84 19.797 -13.186 7.699 1.00 31.32 O ATOM 1314 CB VAL A 84 22.798 -12.790 8.875 1.00 61.10 C ATOM 1315 CG1 VAL A 84 21.798 -12.604 10.006 1.00 44.11 C ATOM 1316 CG2 VAL A 84 24.057 -13.484 9.373 1.00 52.21 C ATOM 0 H VAL A 84 24.012 -13.318 6.763 1.00 62.14 H new ATOM 0 HA VAL A 84 21.904 -14.584 8.075 1.00 50.31 H new ATOM 0 HB VAL A 84 23.077 -11.804 8.504 1.00 61.10 H new ATOM 0 HG11 VAL A 84 22.263 -12.039 10.814 1.00 44.11 H new ATOM 0 HG12 VAL A 84 20.928 -12.061 9.637 1.00 44.11 H new ATOM 0 HG13 VAL A 84 21.485 -13.579 10.379 1.00 44.11 H new ATOM 0 HG21 VAL A 84 24.491 -12.907 10.190 1.00 52.21 H new ATOM 0 HG22 VAL A 84 23.805 -14.483 9.728 1.00 52.21 H new ATOM 0 HG23 VAL A 84 24.777 -13.559 8.559 1.00 52.21 H new ATOM 1326 N LEU A 85 21.071 -11.907 6.356 1.00 25.22 N ATOM 1327 CA LEU A 85 19.944 -11.145 5.830 1.00 3.44 C ATOM 1328 C LEU A 85 18.991 -12.049 5.054 1.00 13.14 C ATOM 1329 O LEU A 85 17.807 -12.141 5.378 1.00 60.04 O ATOM 1330 CB LEU A 85 20.444 -10.016 4.926 1.00 62.22 C ATOM 1331 CG LEU A 85 19.569 -8.764 4.870 1.00 2.00 C ATOM 1332 CD1 LEU A 85 19.822 -7.881 6.082 1.00 61.32 C ATOM 1333 CD2 LEU A 85 19.824 -7.991 3.584 1.00 64.01 C ATOM 0 H LEU A 85 21.978 -11.634 5.977 1.00 25.22 H new ATOM 0 HA LEU A 85 19.403 -10.715 6.673 1.00 3.44 H new ATOM 0 HB2 LEU A 85 21.440 -9.724 5.260 1.00 62.22 H new ATOM 0 HB3 LEU A 85 20.549 -10.407 3.914 1.00 62.22 H new ATOM 0 HG LEU A 85 18.524 -9.075 4.883 1.00 2.00 H new ATOM 0 HD11 LEU A 85 19.190 -6.995 6.025 1.00 61.32 H new ATOM 0 HD12 LEU A 85 19.588 -8.435 6.991 1.00 61.32 H new ATOM 0 HD13 LEU A 85 20.869 -7.579 6.100 1.00 61.32 H new ATOM 0 HD21 LEU A 85 19.192 -7.103 3.562 1.00 64.01 H new ATOM 0 HD22 LEU A 85 20.871 -7.692 3.541 1.00 64.01 H new ATOM 0 HD23 LEU A 85 19.591 -8.623 2.727 1.00 64.01 H new ATOM 1345 N TYR A 86 19.515 -12.714 4.032 1.00 2.44 N ATOM 1346 CA TYR A 86 18.711 -13.610 3.210 1.00 23.13 C ATOM 1347 C TYR A 86 17.961 -14.617 4.076 1.00 40.22 C ATOM 1348 O TYR A 86 16.796 -14.926 3.821 1.00 22.35 O ATOM 1349 CB TYR A 86 19.598 -14.347 2.203 1.00 14.13 C ATOM 1350 CG TYR A 86 18.877 -15.440 1.449 1.00 70.14 C ATOM 1351 CD1 TYR A 86 18.811 -16.733 1.955 1.00 22.52 C ATOM 1352 CD2 TYR A 86 18.262 -15.183 0.230 1.00 32.41 C ATOM 1353 CE1 TYR A 86 18.155 -17.737 1.269 1.00 71.21 C ATOM 1354 CE2 TYR A 86 17.602 -16.180 -0.462 1.00 23.21 C ATOM 1355 CZ TYR A 86 17.552 -17.455 0.062 1.00 12.43 C ATOM 1356 OH TYR A 86 16.896 -18.451 -0.626 1.00 72.42 O ATOM 0 H TYR A 86 20.494 -12.650 3.752 1.00 2.44 H new ATOM 0 HA TYR A 86 17.981 -13.008 2.669 1.00 23.13 H new ATOM 0 HB2 TYR A 86 19.998 -13.627 1.489 1.00 14.13 H new ATOM 0 HB3 TYR A 86 20.449 -14.780 2.729 1.00 14.13 H new ATOM 0 HD1 TYR A 86 19.281 -16.957 2.901 1.00 22.52 H new ATOM 0 HD2 TYR A 86 18.301 -14.186 -0.184 1.00 32.41 H new ATOM 0 HE1 TYR A 86 18.115 -18.737 1.676 1.00 71.21 H new ATOM 0 HE2 TYR A 86 17.128 -15.962 -1.408 1.00 23.21 H new ATOM 0 HH TYR A 86 16.526 -18.086 -1.457 1.00 72.42 H new ATOM 1366 N CYS A 87 18.636 -15.125 5.101 1.00 22.24 N ATOM 1367 CA CYS A 87 18.035 -16.098 6.007 1.00 10.32 C ATOM 1368 C CYS A 87 16.835 -15.497 6.730 1.00 41.12 C ATOM 1369 O CYS A 87 15.818 -16.163 6.925 1.00 33.04 O ATOM 1370 CB CYS A 87 19.068 -16.584 7.023 1.00 71.34 C ATOM 1371 SG CYS A 87 20.236 -17.798 6.367 1.00 44.21 S ATOM 0 H CYS A 87 19.600 -14.879 5.326 1.00 22.24 H new ATOM 0 HA CYS A 87 17.692 -16.947 5.415 1.00 10.32 H new ATOM 0 HB2 CYS A 87 19.625 -15.725 7.397 1.00 71.34 H new ATOM 0 HB3 CYS A 87 18.546 -17.021 7.874 1.00 71.34 H new ATOM 0 HG CYS A 87 21.179 -17.185 5.716 1.00 44.21 H new ATOM 1377 N VAL A 88 16.960 -14.234 7.127 1.00 31.41 N ATOM 1378 CA VAL A 88 15.885 -13.544 7.830 1.00 4.24 C ATOM 1379 C VAL A 88 14.703 -13.282 6.905 1.00 44.04 C ATOM 1380 O VAL A 88 13.555 -13.561 7.252 1.00 71.15 O ATOM 1381 CB VAL A 88 16.369 -12.205 8.417 1.00 12.01 C ATOM 1382 CG1 VAL A 88 15.228 -11.486 9.120 1.00 15.22 C ATOM 1383 CG2 VAL A 88 17.534 -12.431 9.370 1.00 11.02 C ATOM 0 H VAL A 88 17.795 -13.668 6.974 1.00 31.41 H new ATOM 0 HA VAL A 88 15.568 -14.197 8.643 1.00 4.24 H new ATOM 0 HB VAL A 88 16.715 -11.574 7.598 1.00 12.01 H new ATOM 0 HG11 VAL A 88 15.589 -10.542 9.528 1.00 15.22 H new ATOM 0 HG12 VAL A 88 14.427 -11.290 8.407 1.00 15.22 H new ATOM 0 HG13 VAL A 88 14.849 -12.110 9.929 1.00 15.22 H new ATOM 0 HG21 VAL A 88 17.863 -11.474 9.775 1.00 11.02 H new ATOM 0 HG22 VAL A 88 17.216 -13.081 10.186 1.00 11.02 H new ATOM 0 HG23 VAL A 88 18.358 -12.900 8.832 1.00 11.02 H new ATOM 1393 N HIS A 89 14.990 -12.745 5.723 1.00 35.35 N ATOM 1394 CA HIS A 89 13.949 -12.446 4.745 1.00 44.31 C ATOM 1395 C HIS A 89 13.150 -13.701 4.404 1.00 13.21 C ATOM 1396 O HIS A 89 11.938 -13.568 4.234 1.00 62.43 O ATOM 1397 CB HIS A 89 14.566 -11.860 3.475 1.00 23.40 C ATOM 1398 CG HIS A 89 15.068 -10.458 3.645 1.00 42.13 C ATOM 1399 ND1 HIS A 89 14.499 -9.556 4.519 1.00 24.13 N ATOM 1400 CD2 HIS A 89 16.092 -9.806 3.048 1.00 5.22 C ATOM 1401 CE1 HIS A 89 15.152 -8.410 4.451 1.00 44.21 C ATOM 1402 NE2 HIS A 89 16.125 -8.536 3.565 1.00 53.45 N ATOM 0 H HIS A 89 15.934 -12.508 5.419 1.00 35.35 H new ATOM 0 HA HIS A 89 13.272 -11.712 5.183 1.00 44.31 H new ATOM 0 HB2 HIS A 89 15.391 -12.496 3.155 1.00 23.40 H new ATOM 0 HB3 HIS A 89 13.822 -11.877 2.678 1.00 23.40 H new ATOM 0 HD2 HIS A 89 16.760 -10.211 2.302 1.00 5.22 H new ATOM 0 HE1 HIS A 89 14.929 -7.521 5.022 1.00 44.21 H new ATOM 0 HE2 HIS A 89 16.791 -7.808 3.308 1.00 53.45 H new ATOM 1411 N GLN A 90 13.773 -14.870 4.303 1.00 42.22 N ATOM 1412 CA GLN A 90 13.050 -16.095 3.978 1.00 13.22 C ATOM 1413 C GLN A 90 12.266 -16.600 5.183 1.00 34.44 C ATOM 1414 O GLN A 90 11.036 -16.549 5.203 1.00 14.33 O ATOM 1415 CB GLN A 90 14.022 -17.174 3.498 1.00 1.24 C ATOM 1416 CG GLN A 90 14.081 -17.311 1.984 1.00 34.45 C ATOM 1417 CD GLN A 90 13.113 -18.350 1.455 1.00 22.50 C ATOM 1418 OE1 GLN A 90 11.986 -18.032 1.079 1.00 31.10 O ATOM 1419 NE2 GLN A 90 13.551 -19.604 1.423 1.00 61.04 N ATOM 0 H GLN A 90 14.776 -14.996 4.441 1.00 42.22 H new ATOM 0 HA GLN A 90 12.345 -15.869 3.178 1.00 13.22 H new ATOM 0 HB2 GLN A 90 15.020 -16.945 3.873 1.00 1.24 H new ATOM 0 HB3 GLN A 90 13.731 -18.131 3.930 1.00 1.24 H new ATOM 0 HG2 GLN A 90 13.859 -16.347 1.527 1.00 34.45 H new ATOM 0 HG3 GLN A 90 15.095 -17.579 1.686 1.00 34.45 H new ATOM 0 HE21 GLN A 90 14.494 -19.823 1.745 1.00 61.04 H new ATOM 0 HE22 GLN A 90 12.945 -20.347 1.077 1.00 61.04 H new ATOM 1428 N ARG A 91 12.986 -17.088 6.189 1.00 40.03 N ATOM 1429 CA ARG A 91 12.357 -17.606 7.398 1.00 12.24 C ATOM 1430 C ARG A 91 13.407 -18.086 8.395 1.00 2.45 C ATOM 1431 O ARG A 91 13.235 -17.954 9.607 1.00 53.23 O ATOM 1432 CB ARG A 91 11.403 -18.750 7.054 1.00 64.24 C ATOM 1433 CG ARG A 91 10.039 -18.627 7.712 1.00 23.01 C ATOM 1434 CD ARG A 91 9.528 -19.976 8.192 1.00 31.55 C ATOM 1435 NE ARG A 91 10.332 -20.506 9.291 1.00 64.03 N ATOM 1436 CZ ARG A 91 9.995 -21.580 9.995 1.00 63.33 C ATOM 1437 NH1 ARG A 91 8.877 -22.236 9.718 1.00 62.21 N ATOM 1438 NH2 ARG A 91 10.779 -22.002 10.980 1.00 41.14 N ATOM 0 H ARG A 91 14.005 -17.135 6.190 1.00 40.03 H new ATOM 0 HA ARG A 91 11.790 -16.796 7.857 1.00 12.24 H new ATOM 0 HB2 ARG A 91 11.273 -18.790 5.973 1.00 64.24 H new ATOM 0 HB3 ARG A 91 11.858 -19.694 7.355 1.00 64.24 H new ATOM 0 HG2 ARG A 91 10.101 -17.939 8.555 1.00 23.01 H new ATOM 0 HG3 ARG A 91 9.330 -18.199 7.004 1.00 23.01 H new ATOM 0 HD2 ARG A 91 8.492 -19.877 8.516 1.00 31.55 H new ATOM 0 HD3 ARG A 91 9.537 -20.683 7.363 1.00 31.55 H new ATOM 0 HE ARG A 91 11.199 -20.025 9.530 1.00 64.03 H new ATOM 0 HH11 ARG A 91 8.272 -21.916 8.962 1.00 62.21 H new ATOM 0 HH12 ARG A 91 8.622 -23.061 10.261 1.00 62.21 H new ATOM 0 HH21 ARG A 91 11.641 -21.501 11.196 1.00 41.14 H new ATOM 0 HH22 ARG A 91 10.519 -22.827 11.520 1.00 41.14 H new ATOM 1452 N ILE A 92 14.496 -18.644 7.876 1.00 12.20 N ATOM 1453 CA ILE A 92 15.575 -19.144 8.719 1.00 34.01 C ATOM 1454 C ILE A 92 16.030 -18.082 9.716 1.00 72.23 C ATOM 1455 O ILE A 92 16.396 -16.972 9.332 1.00 41.12 O ATOM 1456 CB ILE A 92 16.784 -19.595 7.879 1.00 12.43 C ATOM 1457 CG1 ILE A 92 16.358 -20.654 6.860 1.00 53.13 C ATOM 1458 CG2 ILE A 92 17.884 -20.133 8.781 1.00 20.14 C ATOM 1459 CD1 ILE A 92 16.520 -20.209 5.424 1.00 44.23 C ATOM 0 H ILE A 92 14.654 -18.761 6.875 1.00 12.20 H new ATOM 0 HA ILE A 92 15.180 -20.003 9.261 1.00 34.01 H new ATOM 0 HB ILE A 92 17.174 -18.733 7.338 1.00 12.43 H new ATOM 0 HG12 ILE A 92 16.945 -21.558 7.020 1.00 53.13 H new ATOM 0 HG13 ILE A 92 15.315 -20.916 7.035 1.00 53.13 H new ATOM 0 HG21 ILE A 92 18.732 -20.448 8.173 1.00 20.14 H new ATOM 0 HG22 ILE A 92 18.203 -19.352 9.471 1.00 20.14 H new ATOM 0 HG23 ILE A 92 17.507 -20.985 9.346 1.00 20.14 H new ATOM 0 HD11 ILE A 92 16.199 -21.009 4.757 1.00 44.23 H new ATOM 0 HD12 ILE A 92 15.911 -19.323 5.247 1.00 44.23 H new ATOM 0 HD13 ILE A 92 17.567 -19.974 5.232 1.00 44.23 H new ATOM 1471 N ASP A 93 16.004 -18.433 10.997 1.00 21.55 N ATOM 1472 CA ASP A 93 16.417 -17.512 12.050 1.00 52.23 C ATOM 1473 C ASP A 93 17.701 -17.992 12.719 1.00 73.43 C ATOM 1474 O ASP A 93 17.724 -18.255 13.922 1.00 23.43 O ATOM 1475 CB ASP A 93 15.307 -17.364 13.092 1.00 64.42 C ATOM 1476 CG ASP A 93 13.926 -17.332 12.467 1.00 3.10 C ATOM 1477 OD1 ASP A 93 13.660 -16.411 11.665 1.00 71.54 O ATOM 1478 OD2 ASP A 93 13.112 -18.226 12.780 1.00 4.52 O ATOM 0 H ASP A 93 15.702 -19.348 11.331 1.00 21.55 H new ATOM 0 HA ASP A 93 16.608 -16.540 11.595 1.00 52.23 H new ATOM 0 HB2 ASP A 93 15.364 -18.192 13.799 1.00 64.42 H new ATOM 0 HB3 ASP A 93 15.466 -16.448 13.661 1.00 64.42 H new ATOM 1483 N VAL A 94 18.766 -18.105 11.933 1.00 61.12 N ATOM 1484 CA VAL A 94 20.053 -18.555 12.450 1.00 44.40 C ATOM 1485 C VAL A 94 20.478 -17.729 13.659 1.00 3.31 C ATOM 1486 O VAL A 94 20.004 -16.610 13.858 1.00 74.33 O ATOM 1487 CB VAL A 94 21.151 -18.470 11.372 1.00 61.12 C ATOM 1488 CG1 VAL A 94 20.902 -19.493 10.275 1.00 52.42 C ATOM 1489 CG2 VAL A 94 21.224 -17.064 10.795 1.00 72.45 C ATOM 0 H VAL A 94 18.763 -17.891 10.936 1.00 61.12 H new ATOM 0 HA VAL A 94 19.928 -19.595 12.750 1.00 44.40 H new ATOM 0 HB VAL A 94 22.110 -18.697 11.837 1.00 61.12 H new ATOM 0 HG11 VAL A 94 21.687 -19.418 9.523 1.00 52.42 H new ATOM 0 HG12 VAL A 94 20.905 -20.495 10.704 1.00 52.42 H new ATOM 0 HG13 VAL A 94 19.935 -19.300 9.810 1.00 52.42 H new ATOM 0 HG21 VAL A 94 22.005 -17.023 10.035 1.00 72.45 H new ATOM 0 HG22 VAL A 94 20.266 -16.805 10.345 1.00 72.45 H new ATOM 0 HG23 VAL A 94 21.454 -16.356 11.591 1.00 72.45 H new ATOM 1499 N LYS A 95 21.377 -18.286 14.462 1.00 71.41 N ATOM 1500 CA LYS A 95 21.869 -17.601 15.652 1.00 63.03 C ATOM 1501 C LYS A 95 23.154 -16.838 15.347 1.00 21.45 C ATOM 1502 O LYS A 95 23.448 -15.823 15.979 1.00 22.22 O ATOM 1503 CB LYS A 95 22.116 -18.608 16.779 1.00 0.23 C ATOM 1504 CG LYS A 95 21.202 -18.415 17.977 1.00 70.14 C ATOM 1505 CD LYS A 95 21.602 -19.315 19.134 1.00 63.15 C ATOM 1506 CE LYS A 95 20.692 -20.530 19.236 1.00 52.45 C ATOM 1507 NZ LYS A 95 21.457 -21.773 19.530 1.00 1.52 N ATOM 0 H LYS A 95 21.780 -19.211 14.311 1.00 71.41 H new ATOM 0 HA LYS A 95 21.110 -16.887 15.971 1.00 63.03 H new ATOM 0 HB2 LYS A 95 21.982 -19.617 16.389 1.00 0.23 H new ATOM 0 HB3 LYS A 95 23.153 -18.527 17.106 1.00 0.23 H new ATOM 0 HG2 LYS A 95 21.235 -17.373 18.297 1.00 70.14 H new ATOM 0 HG3 LYS A 95 20.173 -18.628 17.688 1.00 70.14 H new ATOM 0 HD2 LYS A 95 22.633 -19.642 19.002 1.00 63.15 H new ATOM 0 HD3 LYS A 95 21.563 -18.751 20.066 1.00 63.15 H new ATOM 0 HE2 LYS A 95 19.952 -20.365 20.019 1.00 52.45 H new ATOM 0 HE3 LYS A 95 20.144 -20.653 18.302 1.00 52.45 H new ATOM 0 HZ1 LYS A 95 20.801 -22.578 19.592 1.00 1.52 H new ATOM 0 HZ2 LYS A 95 22.146 -21.945 18.770 1.00 1.52 H new ATOM 0 HZ3 LYS A 95 21.959 -21.666 20.434 1.00 1.52 H new ATOM 1521 N ASP A 96 23.914 -17.332 14.377 1.00 21.14 N ATOM 1522 CA ASP A 96 25.167 -16.695 13.987 1.00 11.53 C ATOM 1523 C ASP A 96 25.290 -16.623 12.469 1.00 63.12 C ATOM 1524 O ASP A 96 24.490 -17.210 11.740 1.00 54.14 O ATOM 1525 CB ASP A 96 26.356 -17.457 14.573 1.00 1.24 C ATOM 1526 CG ASP A 96 26.205 -18.959 14.434 1.00 30.52 C ATOM 1527 OD1 ASP A 96 25.603 -19.580 15.335 1.00 10.42 O ATOM 1528 OD2 ASP A 96 26.692 -19.515 13.427 1.00 12.34 O ATOM 0 H ASP A 96 23.685 -18.172 13.846 1.00 21.14 H new ATOM 0 HA ASP A 96 25.168 -15.679 14.382 1.00 11.53 H new ATOM 0 HB2 ASP A 96 27.270 -17.139 14.072 1.00 1.24 H new ATOM 0 HB3 ASP A 96 26.464 -17.201 15.627 1.00 1.24 H new ATOM 1533 N THR A 97 26.301 -15.899 11.995 1.00 75.13 N ATOM 1534 CA THR A 97 26.528 -15.749 10.563 1.00 55.15 C ATOM 1535 C THR A 97 27.006 -17.057 9.943 1.00 12.41 C ATOM 1536 O THR A 97 26.801 -17.302 8.754 1.00 45.13 O ATOM 1537 CB THR A 97 27.564 -14.647 10.273 1.00 4.52 C ATOM 1538 OG1 THR A 97 27.103 -13.393 10.788 1.00 41.21 O ATOM 1539 CG2 THR A 97 27.817 -14.524 8.777 1.00 73.22 C ATOM 0 H THR A 97 26.975 -15.408 12.583 1.00 75.13 H new ATOM 0 HA THR A 97 25.574 -15.467 10.118 1.00 55.15 H new ATOM 0 HB THR A 97 28.499 -14.919 10.764 1.00 4.52 H new ATOM 0 HG1 THR A 97 27.870 -12.858 11.080 1.00 41.21 H new ATOM 0 HG21 THR A 97 28.552 -13.740 8.596 1.00 73.22 H new ATOM 0 HG22 THR A 97 28.195 -15.471 8.393 1.00 73.22 H new ATOM 0 HG23 THR A 97 26.885 -14.273 8.270 1.00 73.22 H new ATOM 1547 N LYS A 98 27.643 -17.893 10.754 1.00 41.22 N ATOM 1548 CA LYS A 98 28.148 -19.178 10.286 1.00 42.11 C ATOM 1549 C LYS A 98 27.002 -20.095 9.870 1.00 21.12 C ATOM 1550 O LYS A 98 27.008 -20.653 8.773 1.00 64.43 O ATOM 1551 CB LYS A 98 28.982 -19.850 11.378 1.00 64.52 C ATOM 1552 CG LYS A 98 30.451 -19.996 11.019 1.00 21.41 C ATOM 1553 CD LYS A 98 31.094 -18.647 10.741 1.00 34.02 C ATOM 1554 CE LYS A 98 32.588 -18.782 10.494 1.00 52.41 C ATOM 1555 NZ LYS A 98 33.387 -18.023 11.495 1.00 13.43 N ATOM 0 H LYS A 98 27.822 -17.704 11.740 1.00 41.22 H new ATOM 0 HA LYS A 98 28.779 -18.996 9.416 1.00 42.11 H new ATOM 0 HB2 LYS A 98 28.897 -19.270 12.297 1.00 64.52 H new ATOM 0 HB3 LYS A 98 28.567 -20.837 11.585 1.00 64.52 H new ATOM 0 HG2 LYS A 98 30.978 -20.490 11.835 1.00 21.41 H new ATOM 0 HG3 LYS A 98 30.550 -20.635 10.142 1.00 21.41 H new ATOM 0 HD2 LYS A 98 30.621 -18.189 9.872 1.00 34.02 H new ATOM 0 HD3 LYS A 98 30.923 -17.980 11.586 1.00 34.02 H new ATOM 0 HE2 LYS A 98 32.868 -19.835 10.529 1.00 52.41 H new ATOM 0 HE3 LYS A 98 32.824 -18.422 9.493 1.00 52.41 H new ATOM 0 HZ1 LYS A 98 34.394 -18.261 11.388 1.00 13.43 H new ATOM 0 HZ2 LYS A 98 33.254 -17.003 11.344 1.00 13.43 H new ATOM 0 HZ3 LYS A 98 33.072 -18.275 12.454 1.00 13.43 H new ATOM 1569 N GLU A 99 26.019 -20.245 10.753 1.00 23.14 N ATOM 1570 CA GLU A 99 24.867 -21.094 10.476 1.00 32.12 C ATOM 1571 C GLU A 99 24.188 -20.680 9.174 1.00 61.22 C ATOM 1572 O GLU A 99 23.770 -21.527 8.385 1.00 52.43 O ATOM 1573 CB GLU A 99 23.865 -21.025 11.631 1.00 42.01 C ATOM 1574 CG GLU A 99 24.260 -21.871 12.830 1.00 30.25 C ATOM 1575 CD GLU A 99 23.339 -21.665 14.018 1.00 4.43 C ATOM 1576 OE1 GLU A 99 22.201 -21.194 13.812 1.00 71.12 O ATOM 1577 OE2 GLU A 99 23.759 -21.974 15.152 1.00 74.45 O ATOM 0 H GLU A 99 25.998 -19.790 11.665 1.00 23.14 H new ATOM 0 HA GLU A 99 25.220 -22.120 10.372 1.00 32.12 H new ATOM 0 HB2 GLU A 99 23.759 -19.987 11.948 1.00 42.01 H new ATOM 0 HB3 GLU A 99 22.888 -21.350 11.273 1.00 42.01 H new ATOM 0 HG2 GLU A 99 24.251 -22.923 12.546 1.00 30.25 H new ATOM 0 HG3 GLU A 99 25.282 -21.628 13.121 1.00 30.25 H new ATOM 1584 N ALA A 100 24.081 -19.374 8.958 1.00 25.04 N ATOM 1585 CA ALA A 100 23.455 -18.848 7.751 1.00 52.44 C ATOM 1586 C ALA A 100 24.155 -19.363 6.499 1.00 21.23 C ATOM 1587 O ALA A 100 23.539 -19.495 5.439 1.00 20.54 O ATOM 1588 CB ALA A 100 23.461 -17.326 7.774 1.00 43.12 C ATOM 0 H ALA A 100 24.420 -18.660 9.603 1.00 25.04 H new ATOM 0 HA ALA A 100 22.422 -19.196 7.726 1.00 52.44 H new ATOM 0 HB1 ALA A 100 22.991 -16.947 6.867 1.00 43.12 H new ATOM 0 HB2 ALA A 100 22.908 -16.973 8.644 1.00 43.12 H new ATOM 0 HB3 ALA A 100 24.489 -16.967 7.827 1.00 43.12 H new ATOM 1594 N LEU A 101 25.445 -19.653 6.626 1.00 40.31 N ATOM 1595 CA LEU A 101 26.231 -20.155 5.503 1.00 1.54 C ATOM 1596 C LEU A 101 25.994 -21.646 5.295 1.00 51.34 C ATOM 1597 O LEU A 101 25.795 -22.103 4.169 1.00 53.53 O ATOM 1598 CB LEU A 101 27.719 -19.891 5.738 1.00 60.50 C ATOM 1599 CG LEU A 101 28.114 -18.432 5.969 1.00 3.12 C ATOM 1600 CD1 LEU A 101 29.297 -18.342 6.921 1.00 64.04 C ATOM 1601 CD2 LEU A 101 28.440 -17.753 4.646 1.00 33.51 C ATOM 0 H LEU A 101 25.969 -19.549 7.495 1.00 40.31 H new ATOM 0 HA LEU A 101 25.912 -19.627 4.604 1.00 1.54 H new ATOM 0 HB2 LEU A 101 28.039 -20.474 6.602 1.00 60.50 H new ATOM 0 HB3 LEU A 101 28.274 -20.265 4.878 1.00 60.50 H new ATOM 0 HG LEU A 101 27.269 -17.915 6.423 1.00 3.12 H new ATOM 0 HD11 LEU A 101 29.563 -17.296 7.073 1.00 64.04 H new ATOM 0 HD12 LEU A 101 29.029 -18.791 7.878 1.00 64.04 H new ATOM 0 HD13 LEU A 101 30.148 -18.875 6.496 1.00 64.04 H new ATOM 0 HD21 LEU A 101 28.719 -16.715 4.829 1.00 33.51 H new ATOM 0 HD22 LEU A 101 29.269 -18.272 4.165 1.00 33.51 H new ATOM 0 HD23 LEU A 101 27.566 -17.784 3.996 1.00 33.51 H new ATOM 1613 N ASP A 102 26.014 -22.401 6.388 1.00 75.12 N ATOM 1614 CA ASP A 102 25.797 -23.842 6.326 1.00 35.02 C ATOM 1615 C ASP A 102 24.413 -24.160 5.769 1.00 61.21 C ATOM 1616 O ASP A 102 24.217 -25.181 5.109 1.00 34.31 O ATOM 1617 CB ASP A 102 25.957 -24.463 7.715 1.00 45.42 C ATOM 1618 CG ASP A 102 26.502 -25.877 7.657 1.00 52.23 C ATOM 1619 OD1 ASP A 102 25.744 -26.789 7.264 1.00 43.02 O ATOM 1620 OD2 ASP A 102 27.684 -26.071 8.006 1.00 24.04 O ATOM 0 H ASP A 102 26.178 -22.039 7.327 1.00 75.12 H new ATOM 0 HA ASP A 102 26.544 -24.269 5.657 1.00 35.02 H new ATOM 0 HB2 ASP A 102 26.626 -23.843 8.312 1.00 45.42 H new ATOM 0 HB3 ASP A 102 24.991 -24.469 8.221 1.00 45.42 H new ATOM 1625 N LYS A 103 23.455 -23.281 6.040 1.00 15.11 N ATOM 1626 CA LYS A 103 22.088 -23.466 5.566 1.00 62.31 C ATOM 1627 C LYS A 103 22.014 -23.322 4.050 1.00 50.20 C ATOM 1628 O LYS A 103 21.443 -24.170 3.364 1.00 15.50 O ATOM 1629 CB LYS A 103 21.154 -22.453 6.232 1.00 31.53 C ATOM 1630 CG LYS A 103 19.695 -22.876 6.227 1.00 5.33 C ATOM 1631 CD LYS A 103 19.304 -23.545 7.533 1.00 60.34 C ATOM 1632 CE LYS A 103 18.033 -24.366 7.380 1.00 40.31 C ATOM 1633 NZ LYS A 103 18.270 -25.812 7.647 1.00 51.53 N ATOM 0 H LYS A 103 23.600 -22.432 6.586 1.00 15.11 H new ATOM 0 HA LYS A 103 21.770 -24.474 5.833 1.00 62.31 H new ATOM 0 HB2 LYS A 103 21.475 -22.298 7.262 1.00 31.53 H new ATOM 0 HB3 LYS A 103 21.248 -21.495 5.721 1.00 31.53 H new ATOM 0 HG2 LYS A 103 19.063 -22.004 6.061 1.00 5.33 H new ATOM 0 HG3 LYS A 103 19.517 -23.561 5.398 1.00 5.33 H new ATOM 0 HD2 LYS A 103 20.116 -24.189 7.870 1.00 60.34 H new ATOM 0 HD3 LYS A 103 19.158 -22.787 8.302 1.00 60.34 H new ATOM 0 HE2 LYS A 103 17.273 -23.990 8.065 1.00 40.31 H new ATOM 0 HE3 LYS A 103 17.641 -24.243 6.371 1.00 40.31 H new ATOM 0 HZ1 LYS A 103 17.379 -26.337 7.532 1.00 51.53 H new ATOM 0 HZ2 LYS A 103 18.976 -26.178 6.977 1.00 51.53 H new ATOM 0 HZ3 LYS A 103 18.620 -25.933 8.619 1.00 51.53 H new ATOM 1647 N ILE A 104 22.596 -22.244 3.533 1.00 52.30 N ATOM 1648 CA ILE A 104 22.596 -21.991 2.098 1.00 24.33 C ATOM 1649 C ILE A 104 23.514 -22.967 1.369 1.00 42.24 C ATOM 1650 O ILE A 104 23.281 -23.303 0.207 1.00 13.14 O ATOM 1651 CB ILE A 104 23.042 -20.552 1.780 1.00 52.42 C ATOM 1652 CG1 ILE A 104 22.127 -19.545 2.481 1.00 72.10 C ATOM 1653 CG2 ILE A 104 23.042 -20.317 0.277 1.00 14.01 C ATOM 1654 CD1 ILE A 104 22.669 -18.134 2.481 1.00 1.33 C ATOM 0 H ILE A 104 23.073 -21.533 4.087 1.00 52.30 H new ATOM 0 HA ILE A 104 21.572 -22.130 1.753 1.00 24.33 H new ATOM 0 HB ILE A 104 24.058 -20.412 2.150 1.00 52.42 H new ATOM 0 HG12 ILE A 104 21.152 -19.551 1.993 1.00 72.10 H new ATOM 0 HG13 ILE A 104 21.970 -19.865 3.511 1.00 72.10 H new ATOM 0 HG21 ILE A 104 23.359 -19.295 0.068 1.00 14.01 H new ATOM 0 HG22 ILE A 104 23.729 -21.015 -0.200 1.00 14.01 H new ATOM 0 HG23 ILE A 104 22.037 -20.472 -0.115 1.00 14.01 H new ATOM 0 HD11 ILE A 104 21.969 -17.475 2.994 1.00 1.33 H new ATOM 0 HD12 ILE A 104 23.630 -18.113 2.995 1.00 1.33 H new ATOM 0 HD13 ILE A 104 22.800 -17.794 1.454 1.00 1.33 H new