USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 822 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 TYR OH : rot 166:sc= 1.05 USER MOD Set 1.2: A 97 THR OG1 : rot 133:sc= 1.19 USER MOD Single : A 9 SER OG : rot 180:sc= -0.27 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -4.03! C(o=-4!,f=-11!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.692 USER MOD Single : A 47 ASN : amide:sc= -0.244 X(o=-0.24,f=-0.24) USER MOD Single : A 53 THR OG1 : rot 179:sc= 0.566 USER MOD Single : A 54 SER OG : rot 180:sc= -0.397 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.322 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.007 K(o=-0.007,f=-2.5) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 105:sc= 1.28 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.228 USER MOD Single : A 80 ASN : amide:sc= -2.88! C(o=-2.9!,f=-2.9!) USER MOD Single : A 81 THR OG1 : rot 76:sc= 0.0405 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -140:sc= -0.0123 USER MOD Single : A 89 HIS : no HD1:sc= -1.34! C(o=-0.85!,f=-5.3!) USER MOD Single : A 90 GLN : amide:sc= -0.453 K(o=-0.45,f=-3.6!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00245) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 -9.181 5.556 -8.679 1.00 64.53 N ATOM 64 CA VAL A 7 -9.373 6.812 -9.393 1.00 24.40 C ATOM 65 C VAL A 7 -10.553 7.593 -8.826 1.00 42.22 C ATOM 66 O VAL A 7 -10.375 8.618 -8.166 1.00 4.41 O ATOM 67 CB VAL A 7 -9.603 6.573 -10.897 1.00 12.32 C ATOM 68 CG1 VAL A 7 -9.821 7.894 -11.621 1.00 43.41 C ATOM 69 CG2 VAL A 7 -8.434 5.811 -11.502 1.00 64.45 C ATOM 0 HA VAL A 7 -8.461 7.394 -9.261 1.00 24.40 H new ATOM 0 HB VAL A 7 -10.501 5.968 -11.017 1.00 12.32 H new ATOM 0 HG11 VAL A 7 -9.982 7.705 -12.682 1.00 43.41 H new ATOM 0 HG12 VAL A 7 -10.694 8.397 -11.206 1.00 43.41 H new ATOM 0 HG13 VAL A 7 -8.943 8.528 -11.494 1.00 43.41 H new ATOM 0 HG21 VAL A 7 -8.615 5.652 -12.565 1.00 64.45 H new ATOM 0 HG22 VAL A 7 -7.518 6.387 -11.372 1.00 64.45 H new ATOM 0 HG23 VAL A 7 -8.331 4.847 -11.003 1.00 64.45 H new ATOM 79 N LEU A 8 -11.759 7.102 -9.087 1.00 4.53 N ATOM 80 CA LEU A 8 -12.971 7.752 -8.602 1.00 75.44 C ATOM 81 C LEU A 8 -13.425 7.142 -7.279 1.00 13.13 C ATOM 82 O LEU A 8 -13.273 5.942 -7.054 1.00 51.22 O ATOM 83 CB LEU A 8 -14.088 7.634 -9.641 1.00 70.01 C ATOM 84 CG LEU A 8 -14.023 8.616 -10.811 1.00 62.44 C ATOM 85 CD1 LEU A 8 -15.048 8.251 -11.873 1.00 65.05 C ATOM 86 CD2 LEU A 8 -14.243 10.042 -10.323 1.00 44.43 C ATOM 0 H LEU A 8 -11.924 6.256 -9.632 1.00 4.53 H new ATOM 0 HA LEU A 8 -12.747 8.806 -8.437 1.00 75.44 H new ATOM 0 HB2 LEU A 8 -14.078 6.621 -10.042 1.00 70.01 H new ATOM 0 HB3 LEU A 8 -15.044 7.767 -9.134 1.00 70.01 H new ATOM 0 HG LEU A 8 -13.030 8.554 -11.257 1.00 62.44 H new ATOM 0 HD11 LEU A 8 -14.986 8.961 -12.697 1.00 65.05 H new ATOM 0 HD12 LEU A 8 -14.846 7.246 -12.244 1.00 65.05 H new ATOM 0 HD13 LEU A 8 -16.048 8.283 -11.440 1.00 65.05 H new ATOM 0 HD21 LEU A 8 -14.193 10.728 -11.169 1.00 44.43 H new ATOM 0 HD22 LEU A 8 -15.223 10.118 -9.851 1.00 44.43 H new ATOM 0 HD23 LEU A 8 -13.471 10.302 -9.599 1.00 44.43 H new ATOM 98 N SER A 9 -13.984 7.977 -6.410 1.00 75.23 N ATOM 99 CA SER A 9 -14.458 7.520 -5.108 1.00 13.10 C ATOM 100 C SER A 9 -15.910 7.055 -5.192 1.00 30.52 C ATOM 101 O SER A 9 -16.499 7.015 -6.271 1.00 62.22 O ATOM 102 CB SER A 9 -14.329 8.639 -4.073 1.00 44.41 C ATOM 103 OG SER A 9 -15.555 9.330 -3.912 1.00 2.33 O ATOM 0 H SER A 9 -14.120 8.973 -6.583 1.00 75.23 H new ATOM 0 HA SER A 9 -13.841 6.676 -4.799 1.00 13.10 H new ATOM 0 HB2 SER A 9 -14.016 8.220 -3.117 1.00 44.41 H new ATOM 0 HB3 SER A 9 -13.552 9.338 -4.384 1.00 44.41 H new ATOM 0 HG SER A 9 -15.446 10.039 -3.244 1.00 2.33 H new ATOM 109 N GLY A 10 -16.479 6.705 -4.043 1.00 53.43 N ATOM 110 CA GLY A 10 -17.856 6.247 -4.007 1.00 31.52 C ATOM 111 C GLY A 10 -18.826 7.288 -4.529 1.00 14.44 C ATOM 112 O GLY A 10 -19.635 7.004 -5.413 1.00 53.20 O ATOM 0 H GLY A 10 -16.012 6.730 -3.137 1.00 53.43 H new ATOM 0 HA2 GLY A 10 -17.949 5.338 -4.601 1.00 31.52 H new ATOM 0 HA3 GLY A 10 -18.123 5.987 -2.983 1.00 31.52 H new ATOM 116 N GLY A 11 -18.748 8.496 -3.981 1.00 34.35 N ATOM 117 CA GLY A 11 -19.635 9.563 -4.409 1.00 24.31 C ATOM 118 C GLY A 11 -19.437 9.931 -5.867 1.00 73.54 C ATOM 119 O GLY A 11 -20.402 10.208 -6.578 1.00 0.15 O ATOM 0 H GLY A 11 -18.087 8.756 -3.249 1.00 34.35 H new ATOM 0 HA2 GLY A 11 -20.669 9.257 -4.252 1.00 24.31 H new ATOM 0 HA3 GLY A 11 -19.465 10.443 -3.789 1.00 24.31 H new ATOM 123 N GLU A 12 -18.184 9.936 -6.309 1.00 14.12 N ATOM 124 CA GLU A 12 -17.864 10.276 -7.691 1.00 11.33 C ATOM 125 C GLU A 12 -18.355 9.191 -8.646 1.00 64.10 C ATOM 126 O GLU A 12 -18.874 9.484 -9.723 1.00 1.42 O ATOM 127 CB GLU A 12 -16.356 10.472 -7.856 1.00 71.33 C ATOM 128 CG GLU A 12 -15.729 11.322 -6.763 1.00 53.13 C ATOM 129 CD GLU A 12 -14.261 11.606 -7.014 1.00 13.44 C ATOM 130 OE1 GLU A 12 -13.417 10.802 -6.567 1.00 62.33 O ATOM 131 OE2 GLU A 12 -13.957 12.632 -7.658 1.00 2.11 O1- ATOM 0 H GLU A 12 -17.374 9.709 -5.732 1.00 14.12 H new ATOM 0 HA GLU A 12 -18.373 11.209 -7.936 1.00 11.33 H new ATOM 0 HB2 GLU A 12 -15.871 9.496 -7.869 1.00 71.33 H new ATOM 0 HB3 GLU A 12 -16.162 10.937 -8.822 1.00 71.33 H new ATOM 0 HG2 GLU A 12 -16.270 12.265 -6.687 1.00 53.13 H new ATOM 0 HG3 GLU A 12 -15.838 10.814 -5.805 1.00 53.13 H new ATOM 138 N LEU A 13 -18.186 7.936 -8.242 1.00 34.21 N ATOM 139 CA LEU A 13 -18.610 6.805 -9.061 1.00 62.32 C ATOM 140 C LEU A 13 -20.067 6.957 -9.486 1.00 21.30 C ATOM 141 O LEU A 13 -20.429 6.641 -10.619 1.00 3.01 O ATOM 142 CB LEU A 13 -18.426 5.496 -8.291 1.00 52.20 C ATOM 143 CG LEU A 13 -18.576 4.211 -9.107 1.00 72.34 C ATOM 144 CD1 LEU A 13 -17.407 4.047 -10.064 1.00 25.32 C ATOM 145 CD2 LEU A 13 -18.688 3.005 -8.186 1.00 71.45 C ATOM 0 H LEU A 13 -17.759 7.676 -7.353 1.00 34.21 H new ATOM 0 HA LEU A 13 -17.989 6.783 -9.957 1.00 62.32 H new ATOM 0 HB2 LEU A 13 -17.435 5.501 -7.837 1.00 52.20 H new ATOM 0 HB3 LEU A 13 -19.150 5.472 -7.476 1.00 52.20 H new ATOM 0 HG LEU A 13 -19.492 4.281 -9.694 1.00 72.34 H new ATOM 0 HD11 LEU A 13 -17.531 3.127 -10.636 1.00 25.32 H new ATOM 0 HD12 LEU A 13 -17.373 4.897 -10.746 1.00 25.32 H new ATOM 0 HD13 LEU A 13 -16.477 3.999 -9.498 1.00 25.32 H new ATOM 0 HD21 LEU A 13 -18.794 2.100 -8.783 1.00 71.45 H new ATOM 0 HD22 LEU A 13 -17.790 2.931 -7.572 1.00 71.45 H new ATOM 0 HD23 LEU A 13 -19.560 3.119 -7.542 1.00 71.45 H new ATOM 157 N ASP A 14 -20.897 7.446 -8.571 1.00 31.35 N ATOM 158 CA ASP A 14 -22.314 7.644 -8.852 1.00 40.20 C ATOM 159 C ASP A 14 -22.507 8.537 -10.075 1.00 62.24 C ATOM 160 O ASP A 14 -23.171 8.155 -11.038 1.00 72.21 O ATOM 161 CB ASP A 14 -23.016 8.258 -7.640 1.00 34.25 C ATOM 162 CG ASP A 14 -23.480 7.212 -6.647 1.00 64.22 C ATOM 163 OD1 ASP A 14 -22.840 6.142 -6.570 1.00 51.13 O ATOM 164 OD2 ASP A 14 -24.481 7.462 -5.946 1.00 74.42 O1- ATOM 0 H ASP A 14 -20.613 7.713 -7.628 1.00 31.35 H new ATOM 0 HA ASP A 14 -22.756 6.670 -9.063 1.00 40.20 H new ATOM 0 HB2 ASP A 14 -22.337 8.950 -7.143 1.00 34.25 H new ATOM 0 HB3 ASP A 14 -23.874 8.840 -7.977 1.00 34.25 H new ATOM 169 N LYS A 15 -21.920 9.728 -10.028 1.00 33.54 N ATOM 170 CA LYS A 15 -22.026 10.677 -11.130 1.00 4.43 C ATOM 171 C LYS A 15 -21.341 10.136 -12.381 1.00 41.02 C ATOM 172 O LYS A 15 -21.848 10.286 -13.492 1.00 74.51 O ATOM 173 CB LYS A 15 -21.405 12.020 -10.736 1.00 3.52 C ATOM 174 CG LYS A 15 -22.349 12.920 -9.958 1.00 24.24 C ATOM 175 CD LYS A 15 -21.858 13.146 -8.538 1.00 52.13 C ATOM 176 CE LYS A 15 -22.790 14.070 -7.767 1.00 11.23 C ATOM 177 NZ LYS A 15 -23.171 13.497 -6.447 1.00 42.10 N1+ ATOM 0 H LYS A 15 -21.366 10.059 -9.238 1.00 33.54 H new ATOM 0 HA LYS A 15 -23.083 10.823 -11.350 1.00 4.43 H new ATOM 0 HB2 LYS A 15 -20.514 11.837 -10.136 1.00 3.52 H new ATOM 0 HB3 LYS A 15 -21.081 12.540 -11.638 1.00 3.52 H new ATOM 0 HG2 LYS A 15 -22.443 13.878 -10.469 1.00 24.24 H new ATOM 0 HG3 LYS A 15 -23.343 12.473 -9.934 1.00 24.24 H new ATOM 0 HD2 LYS A 15 -21.783 12.189 -8.021 1.00 52.13 H new ATOM 0 HD3 LYS A 15 -20.856 13.575 -8.562 1.00 52.13 H new ATOM 0 HE2 LYS A 15 -22.304 15.034 -7.618 1.00 11.23 H new ATOM 0 HE3 LYS A 15 -23.688 14.254 -8.356 1.00 11.23 H new ATOM 0 HZ1 LYS A 15 -23.806 14.156 -5.953 1.00 42.10 H new ATOM 0 HZ2 LYS A 15 -23.657 12.589 -6.590 1.00 42.10 H new ATOM 0 HZ3 LYS A 15 -22.316 13.345 -5.875 1.00 42.10 H new ATOM 191 N TRP A 16 -20.188 9.505 -12.193 1.00 70.44 N ATOM 192 CA TRP A 16 -19.434 8.940 -13.306 1.00 1.22 C ATOM 193 C TRP A 16 -20.301 7.985 -14.121 1.00 45.15 C ATOM 194 O TRP A 16 -20.431 8.135 -15.335 1.00 44.02 O ATOM 195 CB TRP A 16 -18.193 8.209 -12.791 1.00 55.32 C ATOM 196 CG TRP A 16 -17.452 7.470 -13.863 1.00 24.55 C ATOM 197 CD1 TRP A 16 -17.529 6.136 -14.143 1.00 61.40 C ATOM 198 CD2 TRP A 16 -16.518 8.025 -14.797 1.00 42.42 C ATOM 199 NE1 TRP A 16 -16.699 5.827 -15.194 1.00 12.33 N ATOM 200 CE2 TRP A 16 -16.069 6.968 -15.615 1.00 61.24 C ATOM 201 CE3 TRP A 16 -16.020 9.310 -15.025 1.00 61.34 C ATOM 202 CZ2 TRP A 16 -15.146 7.161 -16.638 1.00 43.51 C ATOM 203 CZ3 TRP A 16 -15.103 9.499 -16.041 1.00 74.55 C ATOM 204 CH2 TRP A 16 -14.674 8.429 -16.838 1.00 30.40 C ATOM 0 H TRP A 16 -19.754 9.372 -11.279 1.00 70.44 H new ATOM 0 HA TRP A 16 -19.121 9.759 -13.953 1.00 1.22 H new ATOM 0 HB2 TRP A 16 -17.521 8.931 -12.327 1.00 55.32 H new ATOM 0 HB3 TRP A 16 -18.491 7.505 -12.014 1.00 55.32 H new ATOM 0 HD1 TRP A 16 -18.151 5.428 -13.616 1.00 61.40 H new ATOM 0 HE1 TRP A 16 -16.573 4.898 -15.596 1.00 12.33 H new ATOM 0 HE3 TRP A 16 -16.346 10.141 -14.418 1.00 61.34 H new ATOM 0 HZ2 TRP A 16 -14.814 6.338 -17.253 1.00 43.51 H new ATOM 0 HZ3 TRP A 16 -14.710 10.488 -16.224 1.00 74.55 H new ATOM 0 HH2 TRP A 16 -13.957 8.609 -17.625 1.00 30.40 H new ATOM 215 N GLU A 17 -20.889 7.004 -13.444 1.00 74.23 N ATOM 216 CA GLU A 17 -21.743 6.025 -14.106 1.00 71.10 C ATOM 217 C GLU A 17 -22.926 6.707 -14.789 1.00 24.24 C ATOM 218 O GLU A 17 -23.479 6.191 -15.760 1.00 10.03 O ATOM 219 CB GLU A 17 -22.249 4.991 -13.098 1.00 44.01 C ATOM 220 CG GLU A 17 -21.263 3.866 -12.834 1.00 64.23 C ATOM 221 CD GLU A 17 -21.917 2.655 -12.196 1.00 31.34 C ATOM 222 OE1 GLU A 17 -23.122 2.435 -12.438 1.00 33.42 O1- ATOM 223 OE2 GLU A 17 -21.222 1.927 -11.456 1.00 32.04 O ATOM 0 H GLU A 17 -20.790 6.866 -12.438 1.00 74.23 H new ATOM 0 HA GLU A 17 -21.149 5.519 -14.867 1.00 71.10 H new ATOM 0 HB2 GLU A 17 -22.475 5.493 -12.157 1.00 44.01 H new ATOM 0 HB3 GLU A 17 -23.183 4.566 -13.464 1.00 44.01 H new ATOM 0 HG2 GLU A 17 -20.796 3.569 -13.773 1.00 64.23 H new ATOM 0 HG3 GLU A 17 -20.468 4.230 -12.183 1.00 64.23 H new ATOM 230 N LYS A 18 -23.308 7.870 -14.273 1.00 20.14 N ATOM 231 CA LYS A 18 -24.423 8.625 -14.831 1.00 35.12 C ATOM 232 C LYS A 18 -24.028 9.287 -16.148 1.00 20.10 C ATOM 233 O LYS A 18 -24.741 9.180 -17.146 1.00 71.04 O ATOM 234 CB LYS A 18 -24.895 9.687 -13.836 1.00 74.02 C ATOM 235 CG LYS A 18 -26.183 9.319 -13.119 1.00 42.11 C ATOM 236 CD LYS A 18 -26.509 10.310 -12.014 1.00 61.31 C ATOM 237 CE LYS A 18 -27.957 10.188 -11.566 1.00 61.22 C ATOM 238 NZ LYS A 18 -28.085 9.392 -10.314 1.00 73.30 N1+ ATOM 0 H LYS A 18 -22.861 8.310 -13.469 1.00 20.14 H new ATOM 0 HA LYS A 18 -25.239 7.929 -15.025 1.00 35.12 H new ATOM 0 HB2 LYS A 18 -24.112 9.853 -13.096 1.00 74.02 H new ATOM 0 HB3 LYS A 18 -25.040 10.629 -14.364 1.00 74.02 H new ATOM 0 HG2 LYS A 18 -27.004 9.289 -13.836 1.00 42.11 H new ATOM 0 HG3 LYS A 18 -26.092 8.318 -12.696 1.00 42.11 H new ATOM 0 HD2 LYS A 18 -25.848 10.139 -11.164 1.00 61.31 H new ATOM 0 HD3 LYS A 18 -26.320 11.324 -12.366 1.00 61.31 H new ATOM 0 HE2 LYS A 18 -28.373 11.183 -11.408 1.00 61.22 H new ATOM 0 HE3 LYS A 18 -28.543 9.719 -12.356 1.00 61.22 H new ATOM 0 HZ1 LYS A 18 -29.087 9.332 -10.042 1.00 73.30 H new ATOM 0 HZ2 LYS A 18 -27.711 8.434 -10.472 1.00 73.30 H new ATOM 0 HZ3 LYS A 18 -27.546 9.853 -9.553 1.00 73.30 H new ATOM 252 N ILE A 19 -22.888 9.969 -16.143 1.00 60.12 N ATOM 253 CA ILE A 19 -22.398 10.645 -17.338 1.00 64.35 C ATOM 254 C ILE A 19 -22.363 9.697 -18.531 1.00 53.44 C ATOM 255 O ILE A 19 -21.989 8.532 -18.401 1.00 1.40 O ATOM 256 CB ILE A 19 -20.988 11.226 -17.118 1.00 41.44 C ATOM 257 CG1 ILE A 19 -20.995 12.209 -15.947 1.00 71.55 C ATOM 258 CG2 ILE A 19 -20.491 11.906 -18.384 1.00 4.54 C ATOM 259 CD1 ILE A 19 -19.834 12.025 -14.994 1.00 54.44 C ATOM 0 H ILE A 19 -22.286 10.068 -15.325 1.00 60.12 H new ATOM 0 HA ILE A 19 -23.091 11.461 -17.545 1.00 64.35 H new ATOM 0 HB ILE A 19 -20.308 10.408 -16.878 1.00 41.44 H new ATOM 0 HG12 ILE A 19 -20.976 13.226 -16.338 1.00 71.55 H new ATOM 0 HG13 ILE A 19 -21.928 12.097 -15.395 1.00 71.55 H new ATOM 0 HG21 ILE A 19 -19.494 12.311 -18.212 1.00 4.54 H new ATOM 0 HG22 ILE A 19 -20.453 11.180 -19.196 1.00 4.54 H new ATOM 0 HG23 ILE A 19 -21.170 12.715 -18.653 1.00 4.54 H new ATOM 0 HD11 ILE A 19 -19.905 12.756 -14.189 1.00 54.44 H new ATOM 0 HD12 ILE A 19 -19.864 11.019 -14.574 1.00 54.44 H new ATOM 0 HD13 ILE A 19 -18.896 12.166 -15.531 1.00 54.44 H new ATOM 271 N ARG A 20 -22.755 10.205 -19.695 1.00 15.52 N ATOM 272 CA ARG A 20 -22.770 9.403 -20.912 1.00 23.54 C ATOM 273 C ARG A 20 -21.499 9.629 -21.727 1.00 14.12 C ATOM 274 O ARG A 20 -20.798 10.624 -21.540 1.00 65.53 O ATOM 275 CB ARG A 20 -23.998 9.743 -21.758 1.00 32.24 C ATOM 276 CG ARG A 20 -25.314 9.343 -21.111 1.00 31.21 C ATOM 277 CD ARG A 20 -25.892 8.092 -21.753 1.00 20.03 C ATOM 278 NE ARG A 20 -27.280 7.866 -21.358 1.00 21.32 N ATOM 279 CZ ARG A 20 -28.294 8.619 -21.770 1.00 30.32 C ATOM 280 NH1 ARG A 20 -28.075 9.642 -22.586 1.00 71.22 N1+ ATOM 281 NH2 ARG A 20 -29.529 8.350 -21.367 1.00 71.00 N ATOM 0 H ARG A 20 -23.066 11.168 -19.821 1.00 15.52 H new ATOM 0 HA ARG A 20 -22.816 8.353 -20.624 1.00 23.54 H new ATOM 0 HB2 ARG A 20 -24.009 10.816 -21.952 1.00 32.24 H new ATOM 0 HB3 ARG A 20 -23.912 9.246 -22.724 1.00 32.24 H new ATOM 0 HG2 ARG A 20 -25.159 9.169 -20.046 1.00 31.21 H new ATOM 0 HG3 ARG A 20 -26.028 10.162 -21.199 1.00 31.21 H new ATOM 0 HD2 ARG A 20 -25.834 8.181 -22.838 1.00 20.03 H new ATOM 0 HD3 ARG A 20 -25.290 7.228 -21.471 1.00 20.03 H new ATOM 0 HE ARG A 20 -27.482 7.087 -20.731 1.00 21.32 H new ATOM 0 HH11 ARG A 20 -27.127 9.851 -22.898 1.00 71.22 H new ATOM 0 HH12 ARG A 20 -28.855 10.219 -22.901 1.00 71.22 H new ATOM 0 HH21 ARG A 20 -29.701 7.564 -20.740 1.00 71.00 H new ATOM 0 HH22 ARG A 20 -30.306 8.929 -21.684 1.00 71.00 H new ATOM 295 N LEU A 21 -21.209 8.700 -22.631 1.00 30.23 N ATOM 296 CA LEU A 21 -20.023 8.797 -23.474 1.00 30.14 C ATOM 297 C LEU A 21 -20.218 9.840 -24.571 1.00 65.15 C ATOM 298 O LEU A 21 -19.252 10.419 -25.068 1.00 35.32 O ATOM 299 CB LEU A 21 -19.704 7.438 -24.099 1.00 11.31 C ATOM 300 CG LEU A 21 -19.233 6.350 -23.135 1.00 64.11 C ATOM 301 CD1 LEU A 21 -19.469 4.970 -23.729 1.00 63.33 C ATOM 302 CD2 LEU A 21 -17.762 6.541 -22.794 1.00 42.33 C ATOM 0 H LEU A 21 -21.779 7.871 -22.799 1.00 30.23 H new ATOM 0 HA LEU A 21 -19.187 9.107 -22.847 1.00 30.14 H new ATOM 0 HB2 LEU A 21 -20.596 7.079 -24.613 1.00 11.31 H new ATOM 0 HB3 LEU A 21 -18.935 7.581 -24.858 1.00 11.31 H new ATOM 0 HG LEU A 21 -19.813 6.431 -22.216 1.00 64.11 H new ATOM 0 HD11 LEU A 21 -19.127 4.209 -23.028 1.00 63.33 H new ATOM 0 HD12 LEU A 21 -20.533 4.834 -23.922 1.00 63.33 H new ATOM 0 HD13 LEU A 21 -18.916 4.877 -24.664 1.00 63.33 H new ATOM 0 HD21 LEU A 21 -17.443 5.758 -22.106 1.00 42.33 H new ATOM 0 HD22 LEU A 21 -17.167 6.488 -23.706 1.00 42.33 H new ATOM 0 HD23 LEU A 21 -17.621 7.515 -22.325 1.00 42.33 H new ATOM 314 N ARG A 22 -21.473 10.076 -24.938 1.00 23.14 N ATOM 315 CA ARG A 22 -21.794 11.051 -25.975 1.00 62.24 C ATOM 316 C ARG A 22 -23.053 11.832 -25.614 1.00 72.34 C ATOM 317 O ARG A 22 -23.866 11.404 -24.794 1.00 74.43 O ATOM 318 CB ARG A 22 -21.983 10.351 -27.321 1.00 14.01 C ATOM 319 CG ARG A 22 -20.748 10.386 -28.205 1.00 24.23 C ATOM 320 CD ARG A 22 -21.102 10.159 -29.667 1.00 64.15 C ATOM 321 NE ARG A 22 -19.924 9.848 -30.473 1.00 52.33 N ATOM 322 CZ ARG A 22 -19.044 10.760 -30.871 1.00 40.00 C ATOM 323 NH1 ARG A 22 -19.207 12.033 -30.537 1.00 33.11 N1+ ATOM 324 NH2 ARG A 22 -17.998 10.399 -31.602 1.00 20.02 N ATOM 0 H ARG A 22 -22.283 9.607 -24.534 1.00 23.14 H new ATOM 0 HA ARG A 22 -20.962 11.751 -26.051 1.00 62.24 H new ATOM 0 HB2 ARG A 22 -22.264 9.313 -27.144 1.00 14.01 H new ATOM 0 HB3 ARG A 22 -22.812 10.820 -27.851 1.00 14.01 H new ATOM 0 HG2 ARG A 22 -20.248 11.349 -28.096 1.00 24.23 H new ATOM 0 HG3 ARG A 22 -20.043 9.622 -27.877 1.00 24.23 H new ATOM 0 HD2 ARG A 22 -21.820 9.342 -29.744 1.00 64.15 H new ATOM 0 HD3 ARG A 22 -21.589 11.050 -30.065 1.00 64.15 H new ATOM 0 HE ARG A 22 -19.769 8.877 -30.745 1.00 52.33 H new ATOM 0 HH11 ARG A 22 -20.009 12.314 -29.973 1.00 33.11 H new ATOM 0 HH12 ARG A 22 -18.530 12.731 -30.844 1.00 33.11 H new ATOM 0 HH21 ARG A 22 -17.869 9.420 -31.859 1.00 20.02 H new ATOM 0 HH22 ARG A 22 -17.323 11.100 -31.907 1.00 20.02 H new ATOM 338 N PRO A 23 -23.220 13.007 -26.239 1.00 53.03 N ATOM 339 CA PRO A 23 -24.379 13.874 -25.999 1.00 3.54 C ATOM 340 C PRO A 23 -25.670 13.283 -26.556 1.00 42.44 C ATOM 341 O PRO A 23 -26.746 13.478 -25.993 1.00 2.32 O ATOM 342 CB PRO A 23 -24.017 15.163 -26.742 1.00 43.51 C ATOM 343 CG PRO A 23 -23.066 14.733 -27.806 1.00 52.43 C ATOM 344 CD PRO A 23 -22.292 13.580 -27.228 1.00 15.01 C ATOM 0 HA PRO A 23 -24.568 14.017 -24.935 1.00 3.54 H new ATOM 0 HB2 PRO A 23 -24.902 15.635 -27.169 1.00 43.51 H new ATOM 0 HB3 PRO A 23 -23.559 15.891 -26.072 1.00 43.51 H new ATOM 0 HG2 PRO A 23 -23.599 14.432 -28.708 1.00 52.43 H new ATOM 0 HG3 PRO A 23 -22.400 15.549 -28.087 1.00 52.43 H new ATOM 0 HD2 PRO A 23 -22.022 12.853 -27.994 1.00 15.01 H new ATOM 0 HD3 PRO A 23 -21.364 13.912 -26.763 1.00 15.01 H new ATOM 352 N GLY A 24 -25.554 12.558 -27.665 1.00 63.53 N ATOM 353 CA GLY A 24 -26.720 11.949 -28.278 1.00 35.41 C ATOM 354 C GLY A 24 -26.695 10.436 -28.195 1.00 70.24 C ATOM 355 O GLY A 24 -27.387 9.754 -28.950 1.00 32.31 O ATOM 0 H GLY A 24 -24.674 12.382 -28.149 1.00 63.53 H new ATOM 0 HA2 GLY A 24 -27.620 12.322 -27.789 1.00 35.41 H new ATOM 0 HA3 GLY A 24 -26.777 12.252 -29.324 1.00 35.41 H new ATOM 359 N GLY A 25 -25.895 9.908 -27.273 1.00 71.40 N ATOM 360 CA GLY A 25 -25.796 8.470 -27.111 1.00 13.24 C ATOM 361 C GLY A 25 -26.569 7.967 -25.907 1.00 23.51 C ATOM 362 O GLY A 25 -27.130 8.756 -25.147 1.00 21.43 O ATOM 0 H GLY A 25 -25.314 10.452 -26.635 1.00 71.40 H new ATOM 0 HA2 GLY A 25 -26.170 7.980 -28.010 1.00 13.24 H new ATOM 0 HA3 GLY A 25 -24.747 8.190 -27.008 1.00 13.24 H new ATOM 366 N LYS A 26 -26.597 6.650 -25.733 1.00 75.31 N ATOM 367 CA LYS A 26 -27.306 6.042 -24.613 1.00 14.24 C ATOM 368 C LYS A 26 -26.338 5.313 -23.688 1.00 42.21 C ATOM 369 O LYS A 26 -26.604 5.150 -22.497 1.00 52.23 O ATOM 370 CB LYS A 26 -28.371 5.069 -25.125 1.00 71.44 C ATOM 371 CG LYS A 26 -29.608 5.755 -25.677 1.00 64.33 C ATOM 372 CD LYS A 26 -30.796 4.809 -25.726 1.00 24.41 C ATOM 373 CE LYS A 26 -32.114 5.564 -25.653 1.00 33.55 C ATOM 374 NZ LYS A 26 -32.485 5.897 -24.250 1.00 52.43 N1+ ATOM 0 H LYS A 26 -26.137 5.983 -26.353 1.00 75.31 H new ATOM 0 HA LYS A 26 -27.791 6.837 -24.047 1.00 14.24 H new ATOM 0 HB2 LYS A 26 -27.935 4.443 -25.904 1.00 71.44 H new ATOM 0 HB3 LYS A 26 -28.666 4.406 -24.312 1.00 71.44 H new ATOM 0 HG2 LYS A 26 -29.854 6.617 -25.057 1.00 64.33 H new ATOM 0 HG3 LYS A 26 -29.400 6.131 -26.679 1.00 64.33 H new ATOM 0 HD2 LYS A 26 -30.760 4.226 -26.646 1.00 24.41 H new ATOM 0 HD3 LYS A 26 -30.734 4.102 -24.898 1.00 24.41 H new ATOM 0 HE2 LYS A 26 -32.040 6.482 -26.237 1.00 33.55 H new ATOM 0 HE3 LYS A 26 -32.903 4.962 -26.104 1.00 33.55 H new ATOM 0 HZ1 LYS A 26 -33.389 6.411 -24.243 1.00 52.43 H new ATOM 0 HZ2 LYS A 26 -32.581 5.020 -23.699 1.00 52.43 H new ATOM 0 HZ3 LYS A 26 -31.745 6.493 -23.827 1.00 52.43 H new ATOM 388 N LYS A 27 -25.212 4.877 -24.242 1.00 0.14 N ATOM 389 CA LYS A 27 -24.201 4.167 -23.467 1.00 13.13 C ATOM 390 C LYS A 27 -23.621 5.065 -22.379 1.00 4.00 C ATOM 391 O LYS A 27 -22.995 6.083 -22.671 1.00 64.21 O ATOM 392 CB LYS A 27 -23.082 3.670 -24.384 1.00 24.22 C ATOM 393 CG LYS A 27 -23.246 2.224 -24.815 1.00 5.13 C ATOM 394 CD LYS A 27 -23.055 2.063 -26.315 1.00 53.14 C ATOM 395 CE LYS A 27 -24.381 2.137 -27.055 1.00 53.51 C ATOM 396 NZ LYS A 27 -24.511 3.397 -27.837 1.00 15.00 N1+ ATOM 0 H LYS A 27 -24.976 5.003 -25.226 1.00 0.14 H new ATOM 0 HA LYS A 27 -24.678 3.311 -22.991 1.00 13.13 H new ATOM 0 HB2 LYS A 27 -23.043 4.302 -25.271 1.00 24.22 H new ATOM 0 HB3 LYS A 27 -22.127 3.781 -23.871 1.00 24.22 H new ATOM 0 HG2 LYS A 27 -22.524 1.602 -24.287 1.00 5.13 H new ATOM 0 HG3 LYS A 27 -24.238 1.870 -24.534 1.00 5.13 H new ATOM 0 HD2 LYS A 27 -22.387 2.841 -26.684 1.00 53.14 H new ATOM 0 HD3 LYS A 27 -22.574 1.107 -26.521 1.00 53.14 H new ATOM 0 HE2 LYS A 27 -24.470 1.283 -27.726 1.00 53.51 H new ATOM 0 HE3 LYS A 27 -25.200 2.068 -26.340 1.00 53.51 H new ATOM 0 HZ1 LYS A 27 -25.428 3.409 -28.327 1.00 15.00 H new ATOM 0 HZ2 LYS A 27 -24.451 4.212 -27.194 1.00 15.00 H new ATOM 0 HZ3 LYS A 27 -23.744 3.452 -28.537 1.00 15.00 H new ATOM 410 N GLN A 28 -23.833 4.679 -21.125 1.00 50.13 N ATOM 411 CA GLN A 28 -23.330 5.448 -19.994 1.00 32.41 C ATOM 412 C GLN A 28 -21.861 5.132 -19.729 1.00 35.33 C ATOM 413 O GLN A 28 -21.290 4.230 -20.343 1.00 33.44 O ATOM 414 CB GLN A 28 -24.160 5.158 -18.742 1.00 62.41 C ATOM 415 CG GLN A 28 -25.659 5.164 -18.991 1.00 11.34 C ATOM 416 CD GLN A 28 -26.464 4.997 -17.717 1.00 25.45 C ATOM 417 OE1 GLN A 28 -26.973 3.914 -17.428 1.00 52.12 O ATOM 418 NE2 GLN A 28 -26.581 6.072 -16.946 1.00 3.24 N ATOM 0 H GLN A 28 -24.350 3.838 -20.867 1.00 50.13 H new ATOM 0 HA GLN A 28 -23.416 6.506 -20.241 1.00 32.41 H new ATOM 0 HB2 GLN A 28 -23.871 4.186 -18.341 1.00 62.41 H new ATOM 0 HB3 GLN A 28 -23.924 5.900 -17.980 1.00 62.41 H new ATOM 0 HG2 GLN A 28 -25.939 6.101 -19.473 1.00 11.34 H new ATOM 0 HG3 GLN A 28 -25.911 4.361 -19.683 1.00 11.34 H new ATOM 0 HE21 GLN A 28 -26.142 6.950 -17.225 1.00 3.24 H new ATOM 0 HE22 GLN A 28 -27.110 6.020 -16.075 1.00 3.24 H new ATOM 427 N TYR A 29 -21.256 5.880 -18.814 1.00 54.02 N ATOM 428 CA TYR A 29 -19.853 5.681 -18.470 1.00 41.21 C ATOM 429 C TYR A 29 -19.692 4.530 -17.480 1.00 32.32 C ATOM 430 O TYR A 29 -20.589 4.248 -16.687 1.00 51.12 O ATOM 431 CB TYR A 29 -19.264 6.962 -17.879 1.00 31.43 C ATOM 432 CG TYR A 29 -18.429 7.754 -18.861 1.00 31.02 C ATOM 433 CD1 TYR A 29 -17.126 7.375 -19.158 1.00 1.11 C ATOM 434 CD2 TYR A 29 -18.944 8.880 -19.490 1.00 23.52 C ATOM 435 CE1 TYR A 29 -16.359 8.095 -20.054 1.00 34.24 C ATOM 436 CE2 TYR A 29 -18.185 9.606 -20.388 1.00 42.41 C ATOM 437 CZ TYR A 29 -16.893 9.209 -20.667 1.00 12.02 C ATOM 438 OH TYR A 29 -16.134 9.930 -21.559 1.00 2.13 O ATOM 0 H TYR A 29 -21.715 6.630 -18.297 1.00 54.02 H new ATOM 0 HA TYR A 29 -19.314 5.429 -19.383 1.00 41.21 H new ATOM 0 HB2 TYR A 29 -20.076 7.591 -17.515 1.00 31.43 H new ATOM 0 HB3 TYR A 29 -18.649 6.705 -17.016 1.00 31.43 H new ATOM 0 HD1 TYR A 29 -16.705 6.503 -18.680 1.00 1.11 H new ATOM 0 HD2 TYR A 29 -19.955 9.193 -19.274 1.00 23.52 H new ATOM 0 HE1 TYR A 29 -15.347 7.787 -20.273 1.00 34.24 H new ATOM 0 HE2 TYR A 29 -18.601 10.479 -20.869 1.00 42.41 H new ATOM 0 HH TYR A 29 -16.714 10.535 -22.068 1.00 2.13 H new ATOM 448 N LYS A 30 -18.540 3.870 -17.534 1.00 40.12 N ATOM 449 CA LYS A 30 -18.258 2.750 -16.642 1.00 33.44 C ATOM 450 C LYS A 30 -16.758 2.604 -16.413 1.00 64.54 C ATOM 451 O LYS A 30 -15.950 3.247 -17.085 1.00 22.43 O ATOM 452 CB LYS A 30 -18.825 1.453 -17.224 1.00 72.42 C ATOM 453 CG LYS A 30 -20.212 1.111 -16.707 1.00 22.13 C ATOM 454 CD LYS A 30 -20.315 -0.354 -16.317 1.00 3.33 C ATOM 455 CE LYS A 30 -19.931 -0.572 -14.862 1.00 54.54 C ATOM 456 NZ LYS A 30 -20.629 -1.748 -14.274 1.00 44.44 N1+ ATOM 0 H LYS A 30 -17.787 4.091 -18.185 1.00 40.12 H new ATOM 0 HA LYS A 30 -18.737 2.950 -15.684 1.00 33.44 H new ATOM 0 HB2 LYS A 30 -18.862 1.537 -18.310 1.00 72.42 H new ATOM 0 HB3 LYS A 30 -18.147 0.632 -16.991 1.00 72.42 H new ATOM 0 HG2 LYS A 30 -20.444 1.735 -15.844 1.00 22.13 H new ATOM 0 HG3 LYS A 30 -20.953 1.338 -17.473 1.00 22.13 H new ATOM 0 HD2 LYS A 30 -21.334 -0.705 -16.482 1.00 3.33 H new ATOM 0 HD3 LYS A 30 -19.665 -0.949 -16.959 1.00 3.33 H new ATOM 0 HE2 LYS A 30 -18.853 -0.716 -14.789 1.00 54.54 H new ATOM 0 HE3 LYS A 30 -20.174 0.320 -14.285 1.00 54.54 H new ATOM 0 HZ1 LYS A 30 -20.340 -1.863 -13.281 1.00 44.44 H new ATOM 0 HZ2 LYS A 30 -21.657 -1.600 -14.321 1.00 44.44 H new ATOM 0 HZ3 LYS A 30 -20.378 -2.604 -14.809 1.00 44.44 H new ATOM 470 N LEU A 31 -16.389 1.754 -15.461 1.00 54.55 N ATOM 471 CA LEU A 31 -14.985 1.521 -15.144 1.00 61.13 C ATOM 472 C LEU A 31 -14.207 1.107 -16.388 1.00 45.31 C ATOM 473 O LEU A 31 -13.000 1.333 -16.484 1.00 43.34 O ATOM 474 CB LEU A 31 -14.857 0.444 -14.065 1.00 41.32 C ATOM 475 CG LEU A 31 -14.816 0.941 -12.620 1.00 32.33 C ATOM 476 CD1 LEU A 31 -15.428 -0.088 -11.683 1.00 53.44 C ATOM 477 CD2 LEU A 31 -13.387 1.259 -12.205 1.00 30.22 C ATOM 0 H LEU A 31 -17.044 1.214 -14.895 1.00 54.55 H new ATOM 0 HA LEU A 31 -14.563 2.453 -14.769 1.00 61.13 H new ATOM 0 HB2 LEU A 31 -15.695 -0.245 -14.167 1.00 41.32 H new ATOM 0 HB3 LEU A 31 -13.949 -0.128 -14.257 1.00 41.32 H new ATOM 0 HG LEU A 31 -15.404 1.856 -12.555 1.00 32.33 H new ATOM 0 HD11 LEU A 31 -15.390 0.284 -10.659 1.00 53.44 H new ATOM 0 HD12 LEU A 31 -16.466 -0.266 -11.966 1.00 53.44 H new ATOM 0 HD13 LEU A 31 -14.868 -1.021 -11.751 1.00 53.44 H new ATOM 0 HD21 LEU A 31 -13.378 1.611 -11.174 1.00 30.22 H new ATOM 0 HD22 LEU A 31 -12.776 0.360 -12.287 1.00 30.22 H new ATOM 0 HD23 LEU A 31 -12.983 2.034 -12.857 1.00 30.22 H new ATOM 489 N LYS A 32 -14.905 0.500 -17.342 1.00 71.42 N ATOM 490 CA LYS A 32 -14.283 0.056 -18.583 1.00 64.41 C ATOM 491 C LYS A 32 -13.501 1.191 -19.236 1.00 74.52 C ATOM 492 O LYS A 32 -12.503 0.960 -19.919 1.00 61.33 O ATOM 493 CB LYS A 32 -15.344 -0.468 -19.552 1.00 42.23 C ATOM 494 CG LYS A 32 -15.049 -1.861 -20.082 1.00 60.34 C ATOM 495 CD LYS A 32 -15.000 -2.886 -18.961 1.00 54.23 C ATOM 496 CE LYS A 32 -15.658 -4.194 -19.373 1.00 42.13 C ATOM 497 NZ LYS A 32 -15.239 -5.324 -18.499 1.00 51.55 N1+ ATOM 0 H LYS A 32 -15.904 0.304 -17.279 1.00 71.42 H new ATOM 0 HA LYS A 32 -13.589 -0.750 -18.343 1.00 64.41 H new ATOM 0 HB2 LYS A 32 -16.311 -0.477 -19.049 1.00 42.23 H new ATOM 0 HB3 LYS A 32 -15.429 0.221 -20.392 1.00 42.23 H new ATOM 0 HG2 LYS A 32 -15.814 -2.146 -20.804 1.00 60.34 H new ATOM 0 HG3 LYS A 32 -14.097 -1.855 -20.613 1.00 60.34 H new ATOM 0 HD2 LYS A 32 -13.963 -3.071 -18.681 1.00 54.23 H new ATOM 0 HD3 LYS A 32 -15.502 -2.487 -18.079 1.00 54.23 H new ATOM 0 HE2 LYS A 32 -16.742 -4.085 -19.331 1.00 42.13 H new ATOM 0 HE3 LYS A 32 -15.400 -4.420 -20.408 1.00 42.13 H new ATOM 0 HZ1 LYS A 32 -15.709 -6.198 -18.812 1.00 51.55 H new ATOM 0 HZ2 LYS A 32 -14.208 -5.445 -18.558 1.00 51.55 H new ATOM 0 HZ3 LYS A 32 -15.507 -5.120 -17.515 1.00 51.55 H new ATOM 511 N HIS A 33 -13.960 2.420 -19.019 1.00 24.52 N ATOM 512 CA HIS A 33 -13.302 3.594 -19.585 1.00 22.20 C ATOM 513 C HIS A 33 -12.180 4.080 -18.672 1.00 41.44 C ATOM 514 O HIS A 33 -11.193 4.583 -19.208 1.00 0.24 O ATOM 515 CB HIS A 33 -14.316 4.716 -19.807 1.00 22.33 C ATOM 516 CG HIS A 33 -15.573 4.263 -20.484 1.00 42.53 C ATOM 517 ND1 HIS A 33 -16.812 4.314 -19.882 1.00 12.22 N ATOM 518 CD2 HIS A 33 -15.777 3.748 -21.720 1.00 73.54 C ATOM 519 CE1 HIS A 33 -17.724 3.849 -20.718 1.00 31.33 C ATOM 520 NE2 HIS A 33 -17.121 3.500 -21.840 1.00 34.11 N ATOM 0 H HIS A 33 -14.784 2.629 -18.456 1.00 24.52 H new ATOM 0 HA HIS A 33 -12.870 3.310 -20.545 1.00 22.20 H new ATOM 0 HB2 HIS A 33 -14.571 5.159 -18.845 1.00 22.33 H new ATOM 0 HB3 HIS A 33 -13.853 5.500 -20.406 1.00 22.33 H new ATOM 0 HD2 HIS A 33 -15.022 3.566 -22.471 1.00 73.54 H new ATOM 0 HE1 HIS A 33 -18.782 3.768 -20.518 1.00 31.33 H new ATOM 0 HE2 HIS A 33 -17.580 3.109 -22.663 1.00 34.11 H new ATOM 528 N ILE A 34 -12.300 3.947 -17.355 1.00 21.34 N ATOM 529 CA ILE A 34 -11.253 4.395 -16.445 1.00 55.51 C ATOM 530 C ILE A 34 -10.048 3.463 -16.490 1.00 54.33 C ATOM 531 O ILE A 34 -8.902 3.909 -16.434 1.00 43.42 O ATOM 532 CB ILE A 34 -11.768 4.480 -14.995 1.00 32.51 C ATOM 533 CG1 ILE A 34 -13.088 5.254 -14.944 1.00 24.01 C ATOM 534 CG2 ILE A 34 -10.727 5.139 -14.102 1.00 34.21 C ATOM 535 CD1 ILE A 34 -13.688 5.333 -13.558 1.00 65.44 C ATOM 0 H ILE A 34 -13.111 3.533 -16.895 1.00 21.34 H new ATOM 0 HA ILE A 34 -10.952 5.389 -16.775 1.00 55.51 H new ATOM 0 HB ILE A 34 -11.947 3.469 -14.628 1.00 32.51 H new ATOM 0 HG12 ILE A 34 -12.922 6.264 -15.318 1.00 24.01 H new ATOM 0 HG13 ILE A 34 -13.804 4.780 -15.615 1.00 24.01 H new ATOM 0 HG21 ILE A 34 -11.105 5.192 -13.081 1.00 34.21 H new ATOM 0 HG22 ILE A 34 -9.809 4.552 -14.119 1.00 34.21 H new ATOM 0 HG23 ILE A 34 -10.521 6.146 -14.465 1.00 34.21 H new ATOM 0 HD11 ILE A 34 -14.621 5.895 -13.597 1.00 65.44 H new ATOM 0 HD12 ILE A 34 -13.886 4.327 -13.189 1.00 65.44 H new ATOM 0 HD13 ILE A 34 -12.990 5.834 -12.887 1.00 65.44 H new ATOM 547 N VAL A 35 -10.315 2.164 -16.594 1.00 21.41 N ATOM 548 CA VAL A 35 -9.252 1.168 -16.651 1.00 1.31 C ATOM 549 C VAL A 35 -8.543 1.197 -17.999 1.00 12.44 C ATOM 550 O VAL A 35 -7.314 1.159 -18.067 1.00 1.30 O ATOM 551 CB VAL A 35 -9.799 -0.250 -16.401 1.00 45.43 C ATOM 552 CG1 VAL A 35 -8.681 -1.278 -16.493 1.00 31.12 C ATOM 553 CG2 VAL A 35 -10.491 -0.324 -15.048 1.00 32.31 C ATOM 0 H VAL A 35 -11.258 1.778 -16.640 1.00 21.41 H new ATOM 0 HA VAL A 35 -8.540 1.419 -15.865 1.00 1.31 H new ATOM 0 HB VAL A 35 -10.534 -0.477 -17.173 1.00 45.43 H new ATOM 0 HG11 VAL A 35 -9.087 -2.274 -16.314 1.00 31.12 H new ATOM 0 HG12 VAL A 35 -8.234 -1.242 -17.487 1.00 31.12 H new ATOM 0 HG13 VAL A 35 -7.920 -1.056 -15.745 1.00 31.12 H new ATOM 0 HG21 VAL A 35 -10.871 -1.333 -14.888 1.00 32.31 H new ATOM 0 HG22 VAL A 35 -9.779 -0.076 -14.261 1.00 32.31 H new ATOM 0 HG23 VAL A 35 -11.320 0.384 -15.024 1.00 32.31 H new ATOM 563 N TRP A 36 -9.325 1.264 -19.072 1.00 44.32 N ATOM 564 CA TRP A 36 -8.770 1.299 -20.420 1.00 53.52 C ATOM 565 C TRP A 36 -7.888 2.526 -20.616 1.00 75.44 C ATOM 566 O TRP A 36 -6.762 2.422 -21.098 1.00 5.13 O ATOM 567 CB TRP A 36 -9.896 1.294 -21.456 1.00 3.13 C ATOM 568 CG TRP A 36 -9.413 1.500 -22.860 1.00 21.31 C ATOM 569 CD1 TRP A 36 -9.023 0.534 -23.743 1.00 43.04 C ATOM 570 CD2 TRP A 36 -9.265 2.751 -23.540 1.00 24.22 C ATOM 571 NE1 TRP A 36 -8.643 1.109 -24.932 1.00 43.11 N ATOM 572 CE2 TRP A 36 -8.782 2.468 -24.833 1.00 75.34 C ATOM 573 CE3 TRP A 36 -9.496 4.082 -23.184 1.00 64.41 C ATOM 574 CZ2 TRP A 36 -8.526 3.469 -25.766 1.00 3.54 C ATOM 575 CZ3 TRP A 36 -9.240 5.074 -24.112 1.00 33.30 C ATOM 576 CH2 TRP A 36 -8.761 4.763 -25.391 1.00 1.42 C ATOM 0 H TRP A 36 -10.344 1.295 -19.034 1.00 44.32 H new ATOM 0 HA TRP A 36 -8.155 0.409 -20.556 1.00 53.52 H new ATOM 0 HB2 TRP A 36 -10.429 0.345 -21.398 1.00 3.13 H new ATOM 0 HB3 TRP A 36 -10.612 2.077 -21.207 1.00 3.13 H new ATOM 0 HD1 TRP A 36 -9.014 -0.526 -23.537 1.00 43.04 H new ATOM 0 HE1 TRP A 36 -8.311 0.605 -25.755 1.00 43.11 H new ATOM 0 HE3 TRP A 36 -9.868 4.331 -22.201 1.00 64.41 H new ATOM 0 HZ2 TRP A 36 -8.155 3.232 -26.752 1.00 3.54 H new ATOM 0 HZ3 TRP A 36 -9.412 6.107 -23.846 1.00 33.30 H new ATOM 0 HH2 TRP A 36 -8.574 5.561 -26.095 1.00 1.42 H new ATOM 587 N ALA A 37 -8.409 3.689 -20.236 1.00 23.23 N ATOM 588 CA ALA A 37 -7.666 4.937 -20.369 1.00 75.15 C ATOM 589 C ALA A 37 -6.307 4.842 -19.684 1.00 25.24 C ATOM 590 O ALA A 37 -5.332 5.444 -20.133 1.00 33.14 O ATOM 591 CB ALA A 37 -8.471 6.092 -19.791 1.00 63.42 C ATOM 0 H ALA A 37 -9.341 3.793 -19.834 1.00 23.23 H new ATOM 0 HA ALA A 37 -7.496 5.120 -21.430 1.00 75.15 H new ATOM 0 HB1 ALA A 37 -7.906 7.018 -19.896 1.00 63.42 H new ATOM 0 HB2 ALA A 37 -9.416 6.181 -20.327 1.00 63.42 H new ATOM 0 HB3 ALA A 37 -8.669 5.905 -18.735 1.00 63.42 H new ATOM 597 N SER A 38 -6.249 4.082 -18.595 1.00 50.50 N ATOM 598 CA SER A 38 -5.009 3.911 -17.847 1.00 74.33 C ATOM 599 C SER A 38 -3.988 3.124 -18.660 1.00 21.20 C ATOM 600 O SER A 38 -2.855 3.568 -18.851 1.00 52.14 O ATOM 601 CB SER A 38 -5.284 3.198 -16.522 1.00 63.23 C ATOM 602 OG SER A 38 -4.152 2.457 -16.098 1.00 22.03 O ATOM 0 H SER A 38 -7.046 3.575 -18.211 1.00 50.50 H new ATOM 0 HA SER A 38 -4.598 4.899 -17.641 1.00 74.33 H new ATOM 0 HB2 SER A 38 -5.550 3.930 -15.760 1.00 63.23 H new ATOM 0 HB3 SER A 38 -6.138 2.531 -16.635 1.00 63.23 H new ATOM 0 HG SER A 38 -4.352 2.012 -15.248 1.00 22.03 H new ATOM 608 N ARG A 39 -4.396 1.952 -19.137 1.00 72.53 N ATOM 609 CA ARG A 39 -3.516 1.101 -19.929 1.00 74.34 C ATOM 610 C ARG A 39 -3.066 1.817 -21.199 1.00 13.11 C ATOM 611 O ARG A 39 -1.923 1.671 -21.632 1.00 33.33 O ATOM 612 CB ARG A 39 -4.226 -0.205 -20.291 1.00 23.23 C ATOM 613 CG ARG A 39 -3.404 -1.447 -19.990 1.00 1.22 C ATOM 614 CD ARG A 39 -3.857 -2.632 -20.831 1.00 74.11 C ATOM 615 NE ARG A 39 -3.251 -3.883 -20.385 1.00 72.34 N ATOM 616 CZ ARG A 39 -3.741 -5.082 -20.678 1.00 23.20 C ATOM 617 NH1 ARG A 39 -4.838 -5.192 -21.414 1.00 14.31 N1+ ATOM 618 NH2 ARG A 39 -3.132 -6.176 -20.236 1.00 74.21 N ATOM 0 H ARG A 39 -5.330 1.570 -18.989 1.00 72.53 H new ATOM 0 HA ARG A 39 -2.635 0.874 -19.329 1.00 74.34 H new ATOM 0 HB2 ARG A 39 -5.167 -0.261 -19.744 1.00 23.23 H new ATOM 0 HB3 ARG A 39 -4.474 -0.192 -21.352 1.00 23.23 H new ATOM 0 HG2 ARG A 39 -2.351 -1.243 -20.183 1.00 1.22 H new ATOM 0 HG3 ARG A 39 -3.492 -1.695 -18.932 1.00 1.22 H new ATOM 0 HD2 ARG A 39 -4.943 -2.717 -20.782 1.00 74.11 H new ATOM 0 HD3 ARG A 39 -3.598 -2.456 -21.875 1.00 74.11 H new ATOM 0 HE ARG A 39 -2.405 -3.833 -19.817 1.00 72.34 H new ATOM 0 HH11 ARG A 39 -5.308 -4.354 -21.757 1.00 14.31 H new ATOM 0 HH12 ARG A 39 -5.212 -6.114 -21.637 1.00 14.31 H new ATOM 0 HH21 ARG A 39 -2.287 -6.096 -19.671 1.00 74.21 H new ATOM 0 HH22 ARG A 39 -3.509 -7.096 -20.462 1.00 74.21 H new ATOM 632 N GLU A 40 -3.973 2.590 -21.790 1.00 63.10 N ATOM 633 CA GLU A 40 -3.668 3.327 -23.010 1.00 0.15 C ATOM 634 C GLU A 40 -2.832 4.567 -22.704 1.00 41.44 C ATOM 635 O GLU A 40 -2.085 5.052 -23.554 1.00 14.51 O ATOM 636 CB GLU A 40 -4.960 3.732 -23.723 1.00 31.33 C ATOM 637 CG GLU A 40 -4.977 3.376 -25.201 1.00 63.14 C ATOM 638 CD GLU A 40 -3.862 4.049 -25.976 1.00 23.22 C ATOM 639 OE1 GLU A 40 -2.682 3.733 -25.714 1.00 3.51 O ATOM 640 OE2 GLU A 40 -4.167 4.893 -26.845 1.00 40.21 O1- ATOM 0 H GLU A 40 -4.923 2.721 -21.444 1.00 63.10 H new ATOM 0 HA GLU A 40 -3.090 2.674 -23.663 1.00 0.15 H new ATOM 0 HB2 GLU A 40 -5.804 3.247 -23.231 1.00 31.33 H new ATOM 0 HB3 GLU A 40 -5.103 4.807 -23.615 1.00 31.33 H new ATOM 0 HG2 GLU A 40 -4.890 2.295 -25.311 1.00 63.14 H new ATOM 0 HG3 GLU A 40 -5.937 3.664 -25.629 1.00 63.14 H new ATOM 647 N LEU A 41 -2.965 5.075 -21.484 1.00 52.21 N ATOM 648 CA LEU A 41 -2.224 6.258 -21.063 1.00 53.12 C ATOM 649 C LEU A 41 -0.741 5.942 -20.897 1.00 53.02 C ATOM 650 O LEU A 41 0.116 6.633 -21.446 1.00 31.01 O ATOM 651 CB LEU A 41 -2.792 6.801 -19.751 1.00 53.34 C ATOM 652 CG LEU A 41 -3.797 7.946 -19.876 1.00 44.32 C ATOM 653 CD1 LEU A 41 -4.315 8.354 -18.506 1.00 51.31 C ATOM 654 CD2 LEU A 41 -3.165 9.135 -20.585 1.00 13.53 C ATOM 0 H LEU A 41 -3.579 4.686 -20.769 1.00 52.21 H new ATOM 0 HA LEU A 41 -2.330 7.017 -21.838 1.00 53.12 H new ATOM 0 HB2 LEU A 41 -3.272 5.980 -19.219 1.00 53.34 H new ATOM 0 HB3 LEU A 41 -1.961 7.140 -19.132 1.00 53.34 H new ATOM 0 HG LEU A 41 -4.641 7.599 -20.472 1.00 44.32 H new ATOM 0 HD11 LEU A 41 -5.029 9.170 -18.615 1.00 51.31 H new ATOM 0 HD12 LEU A 41 -4.806 7.503 -18.034 1.00 51.31 H new ATOM 0 HD13 LEU A 41 -3.482 8.682 -17.885 1.00 51.31 H new ATOM 0 HD21 LEU A 41 -3.895 9.941 -20.665 1.00 13.53 H new ATOM 0 HD22 LEU A 41 -2.303 9.482 -20.016 1.00 13.53 H new ATOM 0 HD23 LEU A 41 -2.844 8.835 -21.583 1.00 13.53 H new ATOM 666 N GLU A 42 -0.447 4.891 -20.137 1.00 51.04 N ATOM 667 CA GLU A 42 0.933 4.483 -19.900 1.00 55.22 C ATOM 668 C GLU A 42 1.665 4.252 -21.217 1.00 3.54 C ATOM 669 O GLU A 42 2.888 4.379 -21.291 1.00 42.13 O ATOM 670 CB GLU A 42 0.971 3.210 -19.051 1.00 24.01 C ATOM 671 CG GLU A 42 1.827 3.337 -17.802 1.00 33.42 C ATOM 672 CD GLU A 42 1.475 2.307 -16.747 1.00 42.33 C ATOM 673 OE1 GLU A 42 0.607 1.451 -17.019 1.00 20.42 O ATOM 674 OE2 GLU A 42 2.067 2.356 -15.648 1.00 3.02 O1- ATOM 0 H GLU A 42 -1.145 4.308 -19.676 1.00 51.04 H new ATOM 0 HA GLU A 42 1.437 5.286 -19.362 1.00 55.22 H new ATOM 0 HB2 GLU A 42 -0.046 2.947 -18.759 1.00 24.01 H new ATOM 0 HB3 GLU A 42 1.350 2.389 -19.659 1.00 24.01 H new ATOM 0 HG2 GLU A 42 2.877 3.230 -18.073 1.00 33.42 H new ATOM 0 HG3 GLU A 42 1.707 4.336 -17.383 1.00 33.42 H new ATOM 681 N ARG A 43 0.910 3.911 -22.257 1.00 50.14 N ATOM 682 CA ARG A 43 1.487 3.661 -23.572 1.00 50.30 C ATOM 683 C ARG A 43 1.990 4.957 -24.201 1.00 42.12 C ATOM 684 O ARG A 43 2.921 4.948 -25.006 1.00 43.44 O ATOM 685 CB ARG A 43 0.453 3.003 -24.489 1.00 60.31 C ATOM 686 CG ARG A 43 1.038 2.489 -25.794 1.00 74.10 C ATOM 687 CD ARG A 43 -0.010 1.765 -26.626 1.00 24.01 C ATOM 688 NE ARG A 43 -0.121 2.323 -27.972 1.00 72.24 N ATOM 689 CZ ARG A 43 0.714 2.027 -28.962 1.00 62.43 C ATOM 690 NH1 ARG A 43 1.717 1.183 -28.758 1.00 74.22 N1+ ATOM 691 NH2 ARG A 43 0.547 2.575 -30.158 1.00 33.21 N ATOM 0 H ARG A 43 -0.103 3.802 -22.214 1.00 50.14 H new ATOM 0 HA ARG A 43 2.334 2.986 -23.447 1.00 50.30 H new ATOM 0 HB2 ARG A 43 -0.015 2.174 -23.959 1.00 60.31 H new ATOM 0 HB3 ARG A 43 -0.334 3.724 -24.712 1.00 60.31 H new ATOM 0 HG2 ARG A 43 1.445 3.323 -26.365 1.00 74.10 H new ATOM 0 HG3 ARG A 43 1.867 1.813 -25.582 1.00 74.10 H new ATOM 0 HD2 ARG A 43 0.246 0.708 -26.692 1.00 24.01 H new ATOM 0 HD3 ARG A 43 -0.977 1.828 -26.126 1.00 24.01 H new ATOM 0 HE ARG A 43 -0.881 2.976 -28.162 1.00 72.24 H new ATOM 0 HH11 ARG A 43 1.848 0.760 -27.839 1.00 74.22 H new ATOM 0 HH12 ARG A 43 2.357 0.957 -29.520 1.00 74.22 H new ATOM 0 HH21 ARG A 43 -0.223 3.224 -30.318 1.00 33.21 H new ATOM 0 HH22 ARG A 43 1.189 2.347 -30.917 1.00 33.21 H new ATOM 705 N PHE A 44 1.367 6.070 -23.828 1.00 44.33 N ATOM 706 CA PHE A 44 1.750 7.374 -24.357 1.00 41.14 C ATOM 707 C PHE A 44 2.710 8.085 -23.407 1.00 53.22 C ATOM 708 O PHE A 44 2.757 9.313 -23.361 1.00 73.43 O ATOM 709 CB PHE A 44 0.509 8.239 -24.588 1.00 45.34 C ATOM 710 CG PHE A 44 -0.338 7.776 -25.739 1.00 72.25 C ATOM 711 CD1 PHE A 44 0.242 7.435 -26.950 1.00 61.53 C ATOM 712 CD2 PHE A 44 -1.714 7.682 -25.609 1.00 14.01 C ATOM 713 CE1 PHE A 44 -0.534 7.008 -28.011 1.00 14.02 C ATOM 714 CE2 PHE A 44 -2.496 7.256 -26.667 1.00 41.12 C ATOM 715 CZ PHE A 44 -1.905 6.920 -27.869 1.00 10.24 C ATOM 0 H PHE A 44 0.595 6.095 -23.162 1.00 44.33 H new ATOM 0 HA PHE A 44 2.257 7.218 -25.309 1.00 41.14 H new ATOM 0 HB2 PHE A 44 -0.095 8.243 -23.681 1.00 45.34 H new ATOM 0 HB3 PHE A 44 0.821 9.268 -24.768 1.00 45.34 H new ATOM 0 HD1 PHE A 44 1.314 7.504 -27.066 1.00 61.53 H new ATOM 0 HD2 PHE A 44 -2.181 7.944 -24.671 1.00 14.01 H new ATOM 0 HE1 PHE A 44 -0.069 6.744 -28.949 1.00 14.02 H new ATOM 0 HE2 PHE A 44 -3.568 7.186 -26.553 1.00 41.12 H new ATOM 0 HZ PHE A 44 -2.514 6.589 -28.697 1.00 10.24 H new ATOM 725 N ALA A 45 3.472 7.303 -22.649 1.00 13.43 N ATOM 726 CA ALA A 45 4.431 7.856 -21.702 1.00 13.11 C ATOM 727 C ALA A 45 3.725 8.645 -20.604 1.00 11.11 C ATOM 728 O ALA A 45 4.329 9.496 -19.950 1.00 0.32 O ATOM 729 CB ALA A 45 5.438 8.739 -22.425 1.00 71.03 C ATOM 0 H ALA A 45 3.443 6.284 -22.673 1.00 13.43 H new ATOM 0 HA ALA A 45 4.962 7.027 -21.234 1.00 13.11 H new ATOM 0 HB1 ALA A 45 6.148 9.145 -21.705 1.00 71.03 H new ATOM 0 HB2 ALA A 45 5.973 8.148 -23.168 1.00 71.03 H new ATOM 0 HB3 ALA A 45 4.915 9.557 -22.920 1.00 71.03 H new ATOM 735 N VAL A 46 2.442 8.357 -20.406 1.00 23.54 N ATOM 736 CA VAL A 46 1.654 9.039 -19.387 1.00 70.32 C ATOM 737 C VAL A 46 1.149 8.058 -18.335 1.00 34.43 C ATOM 738 O VAL A 46 0.345 7.175 -18.632 1.00 51.02 O ATOM 739 CB VAL A 46 0.452 9.776 -20.007 1.00 50.42 C ATOM 740 CG1 VAL A 46 -0.380 10.446 -18.924 1.00 55.41 C ATOM 741 CG2 VAL A 46 0.922 10.793 -21.035 1.00 22.20 C ATOM 0 H VAL A 46 1.927 7.656 -20.938 1.00 23.54 H new ATOM 0 HA VAL A 46 2.312 9.768 -18.913 1.00 70.32 H new ATOM 0 HB VAL A 46 -0.177 9.045 -20.515 1.00 50.42 H new ATOM 0 HG11 VAL A 46 -1.225 10.962 -19.381 1.00 55.41 H new ATOM 0 HG12 VAL A 46 -0.748 9.691 -18.229 1.00 55.41 H new ATOM 0 HG13 VAL A 46 0.236 11.166 -18.385 1.00 55.41 H new ATOM 0 HG21 VAL A 46 0.059 11.304 -21.462 1.00 22.20 H new ATOM 0 HG22 VAL A 46 1.574 11.522 -20.554 1.00 22.20 H new ATOM 0 HG23 VAL A 46 1.471 10.283 -21.827 1.00 22.20 H new ATOM 751 N ASN A 47 1.625 8.220 -17.106 1.00 74.13 N ATOM 752 CA ASN A 47 1.221 7.349 -16.008 1.00 1.45 C ATOM 753 C ASN A 47 -0.272 7.484 -15.728 1.00 61.34 C ATOM 754 O ASN A 47 -0.854 8.564 -15.835 1.00 50.12 O ATOM 755 CB ASN A 47 2.021 7.678 -14.746 1.00 34.24 C ATOM 756 CG ASN A 47 3.494 7.893 -15.035 1.00 2.21 C ATOM 757 OD1 ASN A 47 4.209 6.959 -15.400 1.00 11.51 O ATOM 758 ND2 ASN A 47 3.956 9.127 -14.872 1.00 45.25 N ATOM 0 H ASN A 47 2.291 8.947 -16.844 1.00 74.13 H new ATOM 0 HA ASN A 47 1.426 6.319 -16.300 1.00 1.45 H new ATOM 0 HB2 ASN A 47 1.610 8.575 -14.282 1.00 34.24 H new ATOM 0 HB3 ASN A 47 1.909 6.867 -14.027 1.00 34.24 H new ATOM 0 HD21 ASN A 47 4.939 9.331 -15.051 1.00 45.25 H new ATOM 0 HD22 ASN A 47 3.328 9.871 -14.568 1.00 45.25 H new ATOM 765 N PRO A 48 -0.908 6.363 -15.358 1.00 53.34 N ATOM 766 CA PRO A 48 -2.342 6.331 -15.052 1.00 42.21 C ATOM 767 C PRO A 48 -2.676 7.063 -13.757 1.00 24.42 C ATOM 768 O PRO A 48 -3.841 7.329 -13.465 1.00 0.04 O ATOM 769 CB PRO A 48 -2.642 4.836 -14.913 1.00 1.25 C ATOM 770 CG PRO A 48 -1.339 4.223 -14.526 1.00 53.23 C ATOM 771 CD PRO A 48 -0.279 5.041 -15.210 1.00 64.34 C ATOM 0 HA PRO A 48 -2.933 6.829 -15.820 1.00 42.21 H new ATOM 0 HB2 PRO A 48 -3.405 4.654 -14.157 1.00 1.25 H new ATOM 0 HB3 PRO A 48 -3.014 4.418 -15.848 1.00 1.25 H new ATOM 0 HG2 PRO A 48 -1.206 4.238 -13.444 1.00 53.23 H new ATOM 0 HG3 PRO A 48 -1.290 3.180 -14.839 1.00 53.23 H new ATOM 0 HD2 PRO A 48 0.633 5.095 -14.615 1.00 64.34 H new ATOM 0 HD3 PRO A 48 -0.005 4.616 -16.176 1.00 64.34 H new ATOM 779 N GLY A 49 -1.644 7.388 -12.984 1.00 42.25 N ATOM 780 CA GLY A 49 -1.849 8.088 -11.729 1.00 53.35 C ATOM 781 C GLY A 49 -2.366 9.498 -11.929 1.00 25.10 C ATOM 782 O GLY A 49 -2.799 10.150 -10.978 1.00 54.11 O ATOM 0 H GLY A 49 -0.670 7.179 -13.204 1.00 42.25 H new ATOM 0 HA2 GLY A 49 -2.556 7.529 -11.116 1.00 53.35 H new ATOM 0 HA3 GLY A 49 -0.909 8.124 -11.179 1.00 53.35 H new ATOM 786 N LEU A 50 -2.318 9.973 -13.170 1.00 71.14 N ATOM 787 CA LEU A 50 -2.784 11.318 -13.492 1.00 44.24 C ATOM 788 C LEU A 50 -4.307 11.368 -13.549 1.00 53.12 C ATOM 789 O LEU A 50 -4.911 12.427 -13.371 1.00 43.53 O ATOM 790 CB LEU A 50 -2.197 11.775 -14.829 1.00 42.22 C ATOM 791 CG LEU A 50 -0.675 11.693 -14.957 1.00 73.32 C ATOM 792 CD1 LEU A 50 -0.221 12.259 -16.294 1.00 73.15 C ATOM 793 CD2 LEU A 50 -0.004 12.430 -13.807 1.00 4.35 C ATOM 0 H LEU A 50 -1.962 9.447 -13.968 1.00 71.14 H new ATOM 0 HA LEU A 50 -2.447 11.991 -12.704 1.00 44.24 H new ATOM 0 HB2 LEU A 50 -2.641 11.174 -15.622 1.00 42.22 H new ATOM 0 HB3 LEU A 50 -2.501 12.807 -15.003 1.00 42.22 H new ATOM 0 HG LEU A 50 -0.380 10.645 -14.911 1.00 73.32 H new ATOM 0 HD11 LEU A 50 0.864 12.192 -16.368 1.00 73.15 H new ATOM 0 HD12 LEU A 50 -0.675 11.688 -17.104 1.00 73.15 H new ATOM 0 HD13 LEU A 50 -0.526 13.303 -16.370 1.00 73.15 H new ATOM 0 HD21 LEU A 50 1.079 12.362 -13.913 1.00 4.35 H new ATOM 0 HD22 LEU A 50 -0.305 13.478 -13.821 1.00 4.35 H new ATOM 0 HD23 LEU A 50 -0.305 11.979 -12.861 1.00 4.35 H new ATOM 805 N LEU A 51 -4.922 10.217 -13.795 1.00 54.13 N ATOM 806 CA LEU A 51 -6.377 10.128 -13.872 1.00 11.44 C ATOM 807 C LEU A 51 -6.997 10.121 -12.479 1.00 12.23 C ATOM 808 O LEU A 51 -8.176 10.432 -12.313 1.00 14.24 O ATOM 809 CB LEU A 51 -6.790 8.868 -14.634 1.00 12.52 C ATOM 810 CG LEU A 51 -6.576 8.897 -16.148 1.00 15.41 C ATOM 811 CD1 LEU A 51 -6.864 7.532 -16.755 1.00 72.33 C ATOM 812 CD2 LEU A 51 -7.452 9.963 -16.790 1.00 31.41 C ATOM 0 H LEU A 51 -4.437 9.332 -13.945 1.00 54.13 H new ATOM 0 HA LEU A 51 -6.743 11.005 -14.407 1.00 11.44 H new ATOM 0 HB2 LEU A 51 -6.236 8.023 -14.225 1.00 12.52 H new ATOM 0 HB3 LEU A 51 -7.846 8.681 -14.440 1.00 12.52 H new ATOM 0 HG LEU A 51 -5.533 9.146 -16.343 1.00 15.41 H new ATOM 0 HD11 LEU A 51 -6.706 7.572 -17.833 1.00 72.33 H new ATOM 0 HD12 LEU A 51 -6.195 6.791 -16.318 1.00 72.33 H new ATOM 0 HD13 LEU A 51 -7.898 7.253 -16.550 1.00 72.33 H new ATOM 0 HD21 LEU A 51 -7.287 9.969 -17.867 1.00 31.41 H new ATOM 0 HD22 LEU A 51 -8.500 9.745 -16.585 1.00 31.41 H new ATOM 0 HD23 LEU A 51 -7.198 10.940 -16.378 1.00 31.41 H new ATOM 824 N GLU A 52 -6.193 9.765 -11.481 1.00 34.20 N ATOM 825 CA GLU A 52 -6.664 9.720 -10.102 1.00 34.22 C ATOM 826 C GLU A 52 -6.338 11.019 -9.372 1.00 71.21 C ATOM 827 O GLU A 52 -6.263 11.054 -8.143 1.00 51.51 O ATOM 828 CB GLU A 52 -6.036 8.536 -9.364 1.00 71.12 C ATOM 829 CG GLU A 52 -4.530 8.650 -9.201 1.00 23.14 C ATOM 830 CD GLU A 52 -3.984 7.711 -8.143 1.00 1.23 C ATOM 831 OE1 GLU A 52 -4.519 6.589 -8.014 1.00 64.30 O ATOM 832 OE2 GLU A 52 -3.024 8.097 -7.445 1.00 11.31 O1- ATOM 0 H GLU A 52 -5.214 9.504 -11.602 1.00 34.20 H new ATOM 0 HA GLU A 52 -7.747 9.596 -10.119 1.00 34.22 H new ATOM 0 HB2 GLU A 52 -6.494 8.449 -8.379 1.00 71.12 H new ATOM 0 HB3 GLU A 52 -6.266 7.618 -9.905 1.00 71.12 H new ATOM 0 HG2 GLU A 52 -4.048 8.436 -10.155 1.00 23.14 H new ATOM 0 HG3 GLU A 52 -4.274 9.676 -8.938 1.00 23.14 H new ATOM 839 N THR A 53 -6.143 12.089 -10.137 1.00 11.24 N ATOM 840 CA THR A 53 -5.822 13.391 -9.566 1.00 53.23 C ATOM 841 C THR A 53 -6.401 14.519 -10.410 1.00 73.32 C ATOM 842 O THR A 53 -6.052 14.675 -11.580 1.00 21.20 O ATOM 843 CB THR A 53 -4.300 13.588 -9.438 1.00 33.34 C ATOM 844 OG1 THR A 53 -4.009 14.953 -9.118 1.00 43.12 O ATOM 845 CG2 THR A 53 -3.595 13.205 -10.731 1.00 20.42 C ATOM 0 H THR A 53 -6.202 12.079 -11.155 1.00 11.24 H new ATOM 0 HA THR A 53 -6.269 13.420 -8.572 1.00 53.23 H new ATOM 0 HB THR A 53 -3.937 12.942 -8.639 1.00 33.34 H new ATOM 0 HG1 THR A 53 -3.040 15.067 -9.021 1.00 43.12 H new ATOM 0 HG21 THR A 53 -2.521 13.352 -10.617 1.00 20.42 H new ATOM 0 HG22 THR A 53 -3.796 12.158 -10.958 1.00 20.42 H new ATOM 0 HG23 THR A 53 -3.963 13.830 -11.545 1.00 20.42 H new ATOM 853 N SER A 54 -7.289 15.306 -9.809 1.00 72.40 N ATOM 854 CA SER A 54 -7.919 16.420 -10.507 1.00 30.32 C ATOM 855 C SER A 54 -6.872 17.415 -10.999 1.00 13.41 C ATOM 856 O SER A 54 -7.125 18.193 -11.919 1.00 41.23 O ATOM 857 CB SER A 54 -8.918 17.126 -9.589 1.00 21.40 C ATOM 858 OG SER A 54 -9.076 16.421 -8.370 1.00 54.32 O ATOM 0 H SER A 54 -7.588 15.192 -8.840 1.00 72.40 H new ATOM 0 HA SER A 54 -8.450 16.021 -11.371 1.00 30.32 H new ATOM 0 HB2 SER A 54 -8.575 18.140 -9.384 1.00 21.40 H new ATOM 0 HB3 SER A 54 -9.882 17.211 -10.091 1.00 21.40 H new ATOM 0 HG SER A 54 -9.718 16.893 -7.800 1.00 54.32 H new ATOM 864 N GLU A 55 -5.698 17.383 -10.379 1.00 24.05 N ATOM 865 CA GLU A 55 -4.613 18.282 -10.754 1.00 24.44 C ATOM 866 C GLU A 55 -3.735 17.657 -11.835 1.00 14.04 C ATOM 867 O GLU A 55 -3.522 18.247 -12.895 1.00 51.44 O ATOM 868 CB GLU A 55 -3.762 18.628 -9.530 1.00 22.21 C ATOM 869 CG GLU A 55 -4.352 19.734 -8.671 1.00 63.20 C ATOM 870 CD GLU A 55 -3.475 20.971 -8.628 1.00 53.32 C ATOM 871 OE1 GLU A 55 -3.320 21.622 -9.682 1.00 23.42 O ATOM 872 OE2 GLU A 55 -2.946 21.286 -7.542 1.00 10.04 O1- ATOM 0 H GLU A 55 -5.473 16.745 -9.615 1.00 24.05 H new ATOM 0 HA GLU A 55 -5.055 19.195 -11.152 1.00 24.44 H new ATOM 0 HB2 GLU A 55 -3.637 17.733 -8.920 1.00 22.21 H new ATOM 0 HB3 GLU A 55 -2.768 18.928 -9.862 1.00 22.21 H new ATOM 0 HG2 GLU A 55 -5.335 20.004 -9.057 1.00 63.20 H new ATOM 0 HG3 GLU A 55 -4.499 19.362 -7.657 1.00 63.20 H new ATOM 879 N GLY A 56 -3.229 16.459 -11.560 1.00 61.11 N ATOM 880 CA GLY A 56 -2.382 15.773 -12.518 1.00 32.52 C ATOM 881 C GLY A 56 -3.076 15.542 -13.845 1.00 54.10 C ATOM 882 O GLY A 56 -2.423 15.320 -14.865 1.00 23.42 O ATOM 0 H GLY A 56 -3.391 15.951 -10.690 1.00 61.11 H new ATOM 0 HA2 GLY A 56 -1.477 16.358 -12.682 1.00 32.52 H new ATOM 0 HA3 GLY A 56 -2.071 14.814 -12.102 1.00 32.52 H new ATOM 886 N CYS A 57 -4.403 15.592 -13.833 1.00 30.11 N ATOM 887 CA CYS A 57 -5.188 15.383 -15.045 1.00 20.34 C ATOM 888 C CYS A 57 -4.993 16.536 -16.024 1.00 33.52 C ATOM 889 O CYS A 57 -4.850 16.324 -17.229 1.00 61.23 O ATOM 890 CB CYS A 57 -6.671 15.237 -14.699 1.00 25.12 C ATOM 891 SG CYS A 57 -7.372 13.626 -15.125 1.00 10.32 S ATOM 0 H CYS A 57 -4.959 15.775 -12.997 1.00 30.11 H new ATOM 0 HA CYS A 57 -4.841 14.465 -15.519 1.00 20.34 H new ATOM 0 HB2 CYS A 57 -6.802 15.408 -13.630 1.00 25.12 H new ATOM 0 HB3 CYS A 57 -7.232 16.014 -15.217 1.00 25.12 H new ATOM 0 HG CYS A 57 -8.629 13.598 -14.793 1.00 10.32 H new ATOM 897 N ARG A 58 -4.989 17.757 -15.499 1.00 74.32 N ATOM 898 CA ARG A 58 -4.814 18.944 -16.327 1.00 35.35 C ATOM 899 C ARG A 58 -3.575 18.816 -17.207 1.00 64.30 C ATOM 900 O ARG A 58 -3.523 19.367 -18.306 1.00 21.12 O ATOM 901 CB ARG A 58 -4.703 20.193 -15.450 1.00 51.41 C ATOM 902 CG ARG A 58 -5.735 21.261 -15.777 1.00 43.44 C ATOM 903 CD ARG A 58 -5.553 22.495 -14.908 1.00 20.34 C ATOM 904 NE ARG A 58 -6.017 23.708 -15.577 1.00 2.13 N ATOM 905 CZ ARG A 58 -5.366 24.290 -16.578 1.00 51.13 C ATOM 906 NH1 ARG A 58 -4.229 23.773 -17.024 1.00 14.24 N1+ ATOM 907 NH2 ARG A 58 -5.852 25.392 -17.135 1.00 30.41 N ATOM 0 H ARG A 58 -5.105 17.950 -14.504 1.00 74.32 H new ATOM 0 HA ARG A 58 -5.688 19.038 -16.972 1.00 35.35 H new ATOM 0 HB2 ARG A 58 -4.811 19.903 -14.405 1.00 51.41 H new ATOM 0 HB3 ARG A 58 -3.705 20.618 -15.562 1.00 51.41 H new ATOM 0 HG2 ARG A 58 -5.652 21.539 -16.828 1.00 43.44 H new ATOM 0 HG3 ARG A 58 -6.737 20.857 -15.632 1.00 43.44 H new ATOM 0 HD2 ARG A 58 -6.099 22.364 -13.974 1.00 20.34 H new ATOM 0 HD3 ARG A 58 -4.500 22.604 -14.649 1.00 20.34 H new ATOM 0 HE ARG A 58 -6.889 24.131 -15.258 1.00 2.13 H new ATOM 0 HH11 ARG A 58 -3.852 22.926 -16.598 1.00 14.24 H new ATOM 0 HH12 ARG A 58 -3.731 24.222 -17.793 1.00 14.24 H new ATOM 0 HH21 ARG A 58 -6.726 25.793 -16.795 1.00 30.41 H new ATOM 0 HH22 ARG A 58 -5.352 25.838 -17.904 1.00 30.41 H new ATOM 921 N GLN A 59 -2.578 18.086 -16.714 1.00 72.20 N ATOM 922 CA GLN A 59 -1.338 17.888 -17.455 1.00 53.44 C ATOM 923 C GLN A 59 -1.581 17.051 -18.707 1.00 70.13 C ATOM 924 O GLN A 59 -0.967 17.283 -19.749 1.00 34.12 O ATOM 925 CB GLN A 59 -0.293 17.210 -16.568 1.00 40.11 C ATOM 926 CG GLN A 59 1.129 17.675 -16.841 1.00 43.31 C ATOM 927 CD GLN A 59 2.163 16.616 -16.507 1.00 34.34 C ATOM 928 OE1 GLN A 59 2.243 16.147 -15.371 1.00 33.31 O ATOM 929 NE2 GLN A 59 2.960 16.234 -17.497 1.00 20.14 N ATOM 0 H GLN A 59 -2.605 17.623 -15.806 1.00 72.20 H new ATOM 0 HA GLN A 59 -0.965 18.866 -17.760 1.00 53.44 H new ATOM 0 HB2 GLN A 59 -0.535 17.403 -15.523 1.00 40.11 H new ATOM 0 HB3 GLN A 59 -0.348 16.131 -16.715 1.00 40.11 H new ATOM 0 HG2 GLN A 59 1.222 17.950 -17.892 1.00 43.31 H new ATOM 0 HG3 GLN A 59 1.332 18.573 -16.257 1.00 43.31 H new ATOM 0 HE21 GLN A 59 2.858 16.650 -18.423 1.00 20.14 H new ATOM 0 HE22 GLN A 59 3.674 15.525 -17.332 1.00 20.14 H new ATOM 938 N ILE A 60 -2.477 16.077 -18.597 1.00 53.51 N ATOM 939 CA ILE A 60 -2.801 15.206 -19.720 1.00 52.14 C ATOM 940 C ILE A 60 -3.468 15.987 -20.847 1.00 72.31 C ATOM 941 O ILE A 60 -2.950 16.053 -21.963 1.00 51.34 O ATOM 942 CB ILE A 60 -3.728 14.054 -19.290 1.00 2.42 C ATOM 943 CG1 ILE A 60 -3.103 13.272 -18.133 1.00 15.33 C ATOM 944 CG2 ILE A 60 -4.008 13.133 -20.469 1.00 41.22 C ATOM 945 CD1 ILE A 60 -4.059 12.303 -17.474 1.00 41.25 C ATOM 0 H ILE A 60 -2.992 15.871 -17.741 1.00 53.51 H new ATOM 0 HA ILE A 60 -1.859 14.789 -20.078 1.00 52.14 H new ATOM 0 HB ILE A 60 -4.674 14.475 -18.949 1.00 2.42 H new ATOM 0 HG12 ILE A 60 -2.238 12.722 -18.502 1.00 15.33 H new ATOM 0 HG13 ILE A 60 -2.738 13.975 -17.385 1.00 15.33 H new ATOM 0 HG21 ILE A 60 -4.664 12.323 -20.150 1.00 41.22 H new ATOM 0 HG22 ILE A 60 -4.490 13.699 -21.266 1.00 41.22 H new ATOM 0 HG23 ILE A 60 -3.070 12.716 -20.836 1.00 41.22 H new ATOM 0 HD11 ILE A 60 -3.549 11.783 -16.663 1.00 41.25 H new ATOM 0 HD12 ILE A 60 -4.913 12.850 -17.074 1.00 41.25 H new ATOM 0 HD13 ILE A 60 -4.405 11.576 -18.209 1.00 41.25 H new ATOM 957 N LEU A 61 -4.618 16.580 -20.548 1.00 54.33 N ATOM 958 CA LEU A 61 -5.357 17.360 -21.536 1.00 60.20 C ATOM 959 C LEU A 61 -4.466 18.428 -22.162 1.00 11.01 C ATOM 960 O LEU A 61 -4.639 18.789 -23.325 1.00 22.13 O ATOM 961 CB LEU A 61 -6.578 18.014 -20.888 1.00 52.03 C ATOM 962 CG LEU A 61 -7.555 17.067 -20.189 1.00 12.45 C ATOM 963 CD1 LEU A 61 -8.239 17.768 -19.026 1.00 15.32 C ATOM 964 CD2 LEU A 61 -8.586 16.540 -21.178 1.00 12.30 C ATOM 0 H LEU A 61 -5.060 16.536 -19.630 1.00 54.33 H new ATOM 0 HA LEU A 61 -5.690 16.683 -22.323 1.00 60.20 H new ATOM 0 HB2 LEU A 61 -6.229 18.746 -20.160 1.00 52.03 H new ATOM 0 HB3 LEU A 61 -7.122 18.563 -21.657 1.00 52.03 H new ATOM 0 HG LEU A 61 -6.992 16.221 -19.795 1.00 12.45 H new ATOM 0 HD11 LEU A 61 -8.930 17.079 -18.541 1.00 15.32 H new ATOM 0 HD12 LEU A 61 -7.489 18.095 -18.306 1.00 15.32 H new ATOM 0 HD13 LEU A 61 -8.789 18.633 -19.396 1.00 15.32 H new ATOM 0 HD21 LEU A 61 -9.273 15.868 -20.664 1.00 12.30 H new ATOM 0 HD22 LEU A 61 -9.144 17.375 -21.601 1.00 12.30 H new ATOM 0 HD23 LEU A 61 -8.080 15.999 -21.978 1.00 12.30 H new ATOM 976 N GLY A 62 -3.512 18.928 -21.383 1.00 54.10 N ATOM 977 CA GLY A 62 -2.608 19.948 -21.880 1.00 70.15 C ATOM 978 C GLY A 62 -1.784 19.469 -23.058 1.00 42.41 C ATOM 979 O GLY A 62 -1.246 20.275 -23.815 1.00 35.14 O ATOM 0 H GLY A 62 -3.349 18.645 -20.417 1.00 54.10 H new ATOM 0 HA2 GLY A 62 -3.183 20.826 -22.176 1.00 70.15 H new ATOM 0 HA3 GLY A 62 -1.941 20.260 -21.077 1.00 70.15 H new ATOM 983 N GLN A 63 -1.683 18.152 -23.211 1.00 61.41 N ATOM 984 CA GLN A 63 -0.916 17.567 -24.304 1.00 30.12 C ATOM 985 C GLN A 63 -1.837 17.100 -25.426 1.00 34.52 C ATOM 986 O GLN A 63 -1.478 17.160 -26.604 1.00 54.34 O ATOM 987 CB GLN A 63 -0.077 16.393 -23.796 1.00 61.11 C ATOM 988 CG GLN A 63 1.410 16.697 -23.719 1.00 22.24 C ATOM 989 CD GLN A 63 1.744 17.712 -22.644 1.00 34.34 C ATOM 990 OE1 GLN A 63 0.895 18.072 -21.828 1.00 62.14 O ATOM 991 NE2 GLN A 63 2.987 18.181 -22.637 1.00 72.14 N ATOM 0 H GLN A 63 -2.123 17.471 -22.592 1.00 61.41 H new ATOM 0 HA GLN A 63 -0.251 18.335 -24.699 1.00 30.12 H new ATOM 0 HB2 GLN A 63 -0.432 16.105 -22.807 1.00 61.11 H new ATOM 0 HB3 GLN A 63 -0.231 15.536 -24.452 1.00 61.11 H new ATOM 0 HG2 GLN A 63 1.956 15.774 -23.524 1.00 22.24 H new ATOM 0 HG3 GLN A 63 1.751 17.071 -24.685 1.00 22.24 H new ATOM 0 HE21 GLN A 63 3.659 17.855 -23.332 1.00 72.14 H new ATOM 0 HE22 GLN A 63 3.269 18.867 -21.937 1.00 72.14 H new ATOM 1000 N LEU A 64 -3.026 16.636 -25.056 1.00 23.30 N ATOM 1001 CA LEU A 64 -3.999 16.159 -26.031 1.00 42.50 C ATOM 1002 C LEU A 64 -4.683 17.326 -26.735 1.00 21.42 C ATOM 1003 O LEU A 64 -5.149 17.194 -27.867 1.00 65.52 O ATOM 1004 CB LEU A 64 -5.046 15.277 -25.348 1.00 63.33 C ATOM 1005 CG LEU A 64 -4.631 13.830 -25.077 1.00 64.21 C ATOM 1006 CD1 LEU A 64 -5.709 13.105 -24.286 1.00 21.34 C ATOM 1007 CD2 LEU A 64 -4.346 13.104 -26.384 1.00 0.21 C ATOM 0 H LEU A 64 -3.339 16.580 -24.087 1.00 23.30 H new ATOM 0 HA LEU A 64 -3.467 15.569 -26.778 1.00 42.50 H new ATOM 0 HB2 LEU A 64 -5.319 15.739 -24.399 1.00 63.33 H new ATOM 0 HB3 LEU A 64 -5.943 15.267 -25.967 1.00 63.33 H new ATOM 0 HG LEU A 64 -3.717 13.839 -24.483 1.00 64.21 H new ATOM 0 HD11 LEU A 64 -5.396 12.077 -24.103 1.00 21.34 H new ATOM 0 HD12 LEU A 64 -5.865 13.612 -23.334 1.00 21.34 H new ATOM 0 HD13 LEU A 64 -6.639 13.105 -24.854 1.00 21.34 H new ATOM 0 HD21 LEU A 64 -4.052 12.076 -26.173 1.00 0.21 H new ATOM 0 HD22 LEU A 64 -5.243 13.105 -27.004 1.00 0.21 H new ATOM 0 HD23 LEU A 64 -3.539 13.611 -26.913 1.00 0.21 H new ATOM 1019 N GLN A 65 -4.737 18.468 -26.057 1.00 20.24 N ATOM 1020 CA GLN A 65 -5.362 19.660 -26.619 1.00 31.51 C ATOM 1021 C GLN A 65 -4.800 19.970 -28.002 1.00 3.14 C ATOM 1022 O GLN A 65 -5.516 19.971 -29.004 1.00 4.23 O ATOM 1023 CB GLN A 65 -5.152 20.858 -25.691 1.00 4.33 C ATOM 1024 CG GLN A 65 -6.393 21.238 -24.899 1.00 44.32 C ATOM 1025 CD GLN A 65 -6.085 22.180 -23.751 1.00 54.12 C ATOM 1026 OE1 GLN A 65 -5.986 23.393 -23.938 1.00 55.22 O ATOM 1027 NE2 GLN A 65 -5.934 21.625 -22.554 1.00 23.13 N ATOM 0 H GLN A 65 -4.356 18.593 -25.119 1.00 20.24 H new ATOM 0 HA GLN A 65 -6.430 19.467 -26.716 1.00 31.51 H new ATOM 0 HB2 GLN A 65 -4.343 20.632 -24.997 1.00 4.33 H new ATOM 0 HB3 GLN A 65 -4.833 21.715 -26.284 1.00 4.33 H new ATOM 0 HG2 GLN A 65 -7.116 21.708 -25.566 1.00 44.32 H new ATOM 0 HG3 GLN A 65 -6.861 20.335 -24.508 1.00 44.32 H new ATOM 0 HE21 GLN A 65 -6.025 20.615 -22.445 1.00 23.13 H new ATOM 0 HE22 GLN A 65 -5.727 22.209 -21.744 1.00 23.13 H new ATOM 1036 N PRO A 66 -3.487 20.238 -28.061 1.00 10.25 N ATOM 1037 CA PRO A 66 -2.800 20.554 -29.317 1.00 25.55 C ATOM 1038 C PRO A 66 -2.693 19.345 -30.240 1.00 4.32 C ATOM 1039 O PRO A 66 -2.432 19.484 -31.435 1.00 71.00 O ATOM 1040 CB PRO A 66 -1.408 21.000 -28.858 1.00 52.35 C ATOM 1041 CG PRO A 66 -1.211 20.329 -27.543 1.00 70.30 C ATOM 1042 CD PRO A 66 -2.573 20.254 -26.908 1.00 22.42 C ATOM 0 HA PRO A 66 -3.335 21.307 -29.895 1.00 25.55 H new ATOM 0 HB2 PRO A 66 -0.641 20.703 -29.573 1.00 52.35 H new ATOM 0 HB3 PRO A 66 -1.351 22.084 -28.762 1.00 52.35 H new ATOM 0 HG2 PRO A 66 -0.785 19.334 -27.673 1.00 70.30 H new ATOM 0 HG3 PRO A 66 -0.519 20.893 -26.917 1.00 70.30 H new ATOM 0 HD2 PRO A 66 -2.682 19.358 -26.296 1.00 22.42 H new ATOM 0 HD3 PRO A 66 -2.761 21.109 -26.258 1.00 22.42 H new ATOM 1050 N SER A 67 -2.897 18.157 -29.678 1.00 23.35 N ATOM 1051 CA SER A 67 -2.820 16.923 -30.450 1.00 22.21 C ATOM 1052 C SER A 67 -4.117 16.680 -31.217 1.00 63.25 C ATOM 1053 O SER A 67 -4.117 16.054 -32.277 1.00 10.20 O ATOM 1054 CB SER A 67 -2.529 15.737 -29.529 1.00 55.01 C ATOM 1055 OG SER A 67 -1.274 15.885 -28.888 1.00 2.50 O ATOM 0 H SER A 67 -3.117 18.024 -28.691 1.00 23.35 H new ATOM 0 HA SER A 67 -2.007 17.024 -31.169 1.00 22.21 H new ATOM 0 HB2 SER A 67 -3.316 15.653 -28.780 1.00 55.01 H new ATOM 0 HB3 SER A 67 -2.539 14.813 -30.107 1.00 55.01 H new ATOM 0 HG SER A 67 -1.413 16.143 -27.953 1.00 2.50 H new ATOM 1061 N LEU A 68 -5.220 17.181 -30.673 1.00 74.24 N ATOM 1062 CA LEU A 68 -6.526 17.020 -31.304 1.00 45.55 C ATOM 1063 C LEU A 68 -6.502 17.532 -32.740 1.00 15.12 C ATOM 1064 O LEU A 68 -7.252 17.055 -33.591 1.00 51.44 O ATOM 1065 CB LEU A 68 -7.597 17.762 -30.503 1.00 42.34 C ATOM 1066 CG LEU A 68 -8.009 17.120 -29.177 1.00 25.43 C ATOM 1067 CD1 LEU A 68 -8.215 18.184 -28.110 1.00 24.14 C ATOM 1068 CD2 LEU A 68 -9.272 16.290 -29.356 1.00 4.14 C ATOM 0 H LEU A 68 -5.237 17.702 -29.796 1.00 74.24 H new ATOM 0 HA LEU A 68 -6.766 15.957 -31.320 1.00 45.55 H new ATOM 0 HB2 LEU A 68 -7.236 18.770 -30.299 1.00 42.34 H new ATOM 0 HB3 LEU A 68 -8.485 17.861 -31.127 1.00 42.34 H new ATOM 0 HG LEU A 68 -7.207 16.458 -28.851 1.00 25.43 H new ATOM 0 HD11 LEU A 68 -8.508 17.709 -27.174 1.00 24.14 H new ATOM 0 HD12 LEU A 68 -7.287 18.736 -27.962 1.00 24.14 H new ATOM 0 HD13 LEU A 68 -8.999 18.872 -28.428 1.00 24.14 H new ATOM 0 HD21 LEU A 68 -9.550 15.841 -28.403 1.00 4.14 H new ATOM 0 HD22 LEU A 68 -10.082 16.930 -29.706 1.00 4.14 H new ATOM 0 HD23 LEU A 68 -9.090 15.503 -30.088 1.00 4.14 H new ATOM 1080 N GLN A 69 -5.636 18.505 -33.002 1.00 13.35 N ATOM 1081 CA GLN A 69 -5.515 19.081 -34.336 1.00 1.14 C ATOM 1082 C GLN A 69 -5.299 17.991 -35.382 1.00 73.45 C ATOM 1083 O GLN A 69 -5.921 18.003 -36.445 1.00 71.12 O ATOM 1084 CB GLN A 69 -4.359 20.081 -34.380 1.00 34.23 C ATOM 1085 CG GLN A 69 -4.600 21.247 -35.325 1.00 33.42 C ATOM 1086 CD GLN A 69 -3.637 22.395 -35.092 1.00 72.31 C ATOM 1087 OE1 GLN A 69 -2.423 22.241 -35.229 1.00 42.04 O ATOM 1088 NE2 GLN A 69 -4.175 23.557 -34.738 1.00 30.24 N ATOM 0 H GLN A 69 -5.008 18.911 -32.308 1.00 13.35 H new ATOM 0 HA GLN A 69 -6.445 19.601 -34.565 1.00 1.14 H new ATOM 0 HB2 GLN A 69 -4.185 20.468 -33.376 1.00 34.23 H new ATOM 0 HB3 GLN A 69 -3.450 19.560 -34.683 1.00 34.23 H new ATOM 0 HG2 GLN A 69 -4.505 20.901 -36.354 1.00 33.42 H new ATOM 0 HG3 GLN A 69 -5.622 21.604 -35.202 1.00 33.42 H new ATOM 0 HE21 GLN A 69 -5.186 23.641 -34.636 1.00 30.24 H new ATOM 0 HE22 GLN A 69 -3.577 24.365 -34.568 1.00 30.24 H new ATOM 1097 N THR A 70 -4.414 17.049 -35.074 1.00 63.25 N ATOM 1098 CA THR A 70 -4.115 15.952 -35.986 1.00 33.14 C ATOM 1099 C THR A 70 -4.127 14.612 -35.259 1.00 32.12 C ATOM 1100 O THR A 70 -3.246 13.778 -35.462 1.00 60.33 O ATOM 1101 CB THR A 70 -2.745 16.144 -36.664 1.00 61.21 C ATOM 1102 OG1 THR A 70 -2.550 17.524 -36.994 1.00 65.13 O ATOM 1103 CG2 THR A 70 -2.641 15.296 -37.924 1.00 35.01 C ATOM 0 H THR A 70 -3.891 17.024 -34.199 1.00 63.25 H new ATOM 0 HA THR A 70 -4.894 15.954 -36.749 1.00 33.14 H new ATOM 0 HB THR A 70 -1.971 15.825 -35.966 1.00 61.21 H new ATOM 0 HG1 THR A 70 -1.676 17.637 -37.423 1.00 65.13 H new ATOM 0 HG21 THR A 70 -1.665 15.448 -38.385 1.00 35.01 H new ATOM 0 HG22 THR A 70 -2.760 14.244 -37.665 1.00 35.01 H new ATOM 0 HG23 THR A 70 -3.423 15.588 -38.625 1.00 35.01 H new ATOM 1111 N GLY A 71 -5.132 14.413 -34.412 1.00 51.31 N ATOM 1112 CA GLY A 71 -5.240 13.172 -33.668 1.00 11.44 C ATOM 1113 C GLY A 71 -6.065 12.130 -34.396 1.00 0.53 C ATOM 1114 O GLY A 71 -6.402 12.302 -35.568 1.00 54.12 O ATOM 0 H GLY A 71 -5.873 15.089 -34.228 1.00 51.31 H new ATOM 0 HA2 GLY A 71 -4.242 12.776 -33.482 1.00 11.44 H new ATOM 0 HA3 GLY A 71 -5.690 13.373 -32.696 1.00 11.44 H new ATOM 1118 N SER A 72 -6.390 11.043 -33.702 1.00 12.04 N ATOM 1119 CA SER A 72 -7.176 9.966 -34.292 1.00 51.54 C ATOM 1120 C SER A 72 -8.202 9.434 -33.296 1.00 44.02 C ATOM 1121 O SER A 72 -8.391 10.001 -32.220 1.00 31.44 O ATOM 1122 CB SER A 72 -6.260 8.831 -34.753 1.00 1.25 C ATOM 1123 OG SER A 72 -5.618 8.213 -33.652 1.00 31.54 O ATOM 0 H SER A 72 -6.121 10.885 -32.731 1.00 12.04 H new ATOM 0 HA SER A 72 -7.707 10.368 -35.155 1.00 51.54 H new ATOM 0 HB2 SER A 72 -6.842 8.090 -35.301 1.00 1.25 H new ATOM 0 HB3 SER A 72 -5.511 9.221 -35.442 1.00 1.25 H new ATOM 0 HG SER A 72 -5.040 7.490 -33.974 1.00 31.54 H new ATOM 1129 N GLU A 73 -8.861 8.339 -33.662 1.00 3.30 N ATOM 1130 CA GLU A 73 -9.867 7.730 -32.800 1.00 11.33 C ATOM 1131 C GLU A 73 -9.287 7.413 -31.425 1.00 4.14 C ATOM 1132 O GLU A 73 -9.862 7.777 -30.399 1.00 1.34 O ATOM 1133 CB GLU A 73 -10.414 6.452 -33.442 1.00 0.22 C ATOM 1134 CG GLU A 73 -11.857 6.571 -33.902 1.00 22.24 C ATOM 1135 CD GLU A 73 -12.212 5.563 -34.977 1.00 11.14 C ATOM 1136 OE1 GLU A 73 -11.786 4.395 -34.858 1.00 2.10 O ATOM 1137 OE2 GLU A 73 -12.916 5.941 -35.937 1.00 60.12 O1- ATOM 0 H GLU A 73 -8.716 7.856 -34.549 1.00 3.30 H new ATOM 0 HA GLU A 73 -10.681 8.444 -32.675 1.00 11.33 H new ATOM 0 HB2 GLU A 73 -9.790 6.189 -34.296 1.00 0.22 H new ATOM 0 HB3 GLU A 73 -10.336 5.634 -32.726 1.00 0.22 H new ATOM 0 HG2 GLU A 73 -12.519 6.433 -33.047 1.00 22.24 H new ATOM 0 HG3 GLU A 73 -12.031 7.578 -34.282 1.00 22.24 H new ATOM 1144 N GLU A 74 -8.145 6.732 -31.414 1.00 75.13 N ATOM 1145 CA GLU A 74 -7.489 6.365 -30.164 1.00 24.31 C ATOM 1146 C GLU A 74 -7.274 7.592 -29.282 1.00 44.53 C ATOM 1147 O GLU A 74 -7.265 7.493 -28.054 1.00 31.14 O ATOM 1148 CB GLU A 74 -6.147 5.687 -30.448 1.00 21.10 C ATOM 1149 CG GLU A 74 -6.282 4.281 -31.009 1.00 53.23 C ATOM 1150 CD GLU A 74 -4.940 3.624 -31.267 1.00 30.34 C ATOM 1151 OE1 GLU A 74 -3.937 4.358 -31.399 1.00 2.32 O ATOM 1152 OE2 GLU A 74 -4.893 2.378 -31.339 1.00 20.33 O1- ATOM 0 H GLU A 74 -7.656 6.424 -32.254 1.00 75.13 H new ATOM 0 HA GLU A 74 -8.137 5.667 -29.634 1.00 24.31 H new ATOM 0 HB2 GLU A 74 -5.583 6.298 -31.153 1.00 21.10 H new ATOM 0 HB3 GLU A 74 -5.567 5.647 -29.526 1.00 21.10 H new ATOM 0 HG2 GLU A 74 -6.854 3.669 -30.311 1.00 53.23 H new ATOM 0 HG3 GLU A 74 -6.849 4.318 -31.939 1.00 53.23 H new ATOM 1159 N LEU A 75 -7.101 8.746 -29.915 1.00 12.02 N ATOM 1160 CA LEU A 75 -6.886 9.993 -29.189 1.00 11.43 C ATOM 1161 C LEU A 75 -8.204 10.549 -28.660 1.00 70.21 C ATOM 1162 O LEU A 75 -8.304 10.931 -27.494 1.00 61.30 O ATOM 1163 CB LEU A 75 -6.212 11.025 -30.096 1.00 50.41 C ATOM 1164 CG LEU A 75 -5.598 12.235 -29.393 1.00 24.31 C ATOM 1165 CD1 LEU A 75 -4.085 12.237 -29.559 1.00 74.24 C ATOM 1166 CD2 LEU A 75 -6.196 13.526 -29.933 1.00 31.01 C ATOM 0 H LEU A 75 -7.105 8.845 -30.930 1.00 12.02 H new ATOM 0 HA LEU A 75 -6.234 9.783 -28.341 1.00 11.43 H new ATOM 0 HB2 LEU A 75 -5.428 10.524 -30.664 1.00 50.41 H new ATOM 0 HB3 LEU A 75 -6.948 11.383 -30.816 1.00 50.41 H new ATOM 0 HG LEU A 75 -5.827 12.168 -28.329 1.00 24.31 H new ATOM 0 HD11 LEU A 75 -3.665 13.106 -29.052 1.00 74.24 H new ATOM 0 HD12 LEU A 75 -3.670 11.327 -29.125 1.00 74.24 H new ATOM 0 HD13 LEU A 75 -3.835 12.280 -30.619 1.00 74.24 H new ATOM 0 HD21 LEU A 75 -5.747 14.377 -29.421 1.00 31.01 H new ATOM 0 HD22 LEU A 75 -5.997 13.600 -31.002 1.00 31.01 H new ATOM 0 HD23 LEU A 75 -7.273 13.527 -29.763 1.00 31.01 H new ATOM 1178 N ARG A 76 -9.213 10.588 -29.524 1.00 73.52 N ATOM 1179 CA ARG A 76 -10.526 11.097 -29.142 1.00 64.23 C ATOM 1180 C ARG A 76 -11.039 10.391 -27.890 1.00 71.20 C ATOM 1181 O ARG A 76 -11.518 11.034 -26.956 1.00 62.32 O ATOM 1182 CB ARG A 76 -11.521 10.911 -30.289 1.00 11.14 C ATOM 1183 CG ARG A 76 -11.244 11.807 -31.486 1.00 55.44 C ATOM 1184 CD ARG A 76 -12.354 11.710 -32.522 1.00 24.31 C ATOM 1185 NE ARG A 76 -11.946 10.936 -33.691 1.00 61.53 N ATOM 1186 CZ ARG A 76 -12.662 10.857 -34.807 1.00 40.22 C ATOM 1187 NH1 ARG A 76 -13.817 11.501 -34.904 1.00 71.13 N1+ ATOM 1188 NH2 ARG A 76 -12.224 10.132 -35.828 1.00 63.22 N ATOM 0 H ARG A 76 -9.147 10.274 -30.492 1.00 73.52 H new ATOM 0 HA ARG A 76 -10.427 12.160 -28.924 1.00 64.23 H new ATOM 0 HB2 ARG A 76 -11.500 9.870 -30.612 1.00 11.14 H new ATOM 0 HB3 ARG A 76 -12.528 11.110 -29.922 1.00 11.14 H new ATOM 0 HG2 ARG A 76 -11.144 12.840 -31.153 1.00 55.44 H new ATOM 0 HG3 ARG A 76 -10.294 11.525 -31.941 1.00 55.44 H new ATOM 0 HD2 ARG A 76 -13.232 11.248 -32.070 1.00 24.31 H new ATOM 0 HD3 ARG A 76 -12.646 12.712 -32.835 1.00 24.31 H new ATOM 0 HE ARG A 76 -11.063 10.428 -33.648 1.00 61.53 H new ATOM 0 HH11 ARG A 76 -14.157 12.059 -34.121 1.00 71.13 H new ATOM 0 HH12 ARG A 76 -14.365 11.439 -35.762 1.00 71.13 H new ATOM 0 HH21 ARG A 76 -11.336 9.634 -35.757 1.00 63.22 H new ATOM 0 HH22 ARG A 76 -12.775 10.072 -36.684 1.00 63.22 H new ATOM 1202 N SER A 77 -10.936 9.066 -27.880 1.00 74.44 N ATOM 1203 CA SER A 77 -11.393 8.273 -26.745 1.00 72.14 C ATOM 1204 C SER A 77 -10.768 8.773 -25.445 1.00 12.32 C ATOM 1205 O SER A 77 -11.462 8.976 -24.447 1.00 3.51 O ATOM 1206 CB SER A 77 -11.050 6.797 -26.955 1.00 65.21 C ATOM 1207 OG SER A 77 -11.965 6.181 -27.843 1.00 32.25 O ATOM 0 H SER A 77 -10.540 8.519 -28.645 1.00 74.44 H new ATOM 0 HA SER A 77 -12.475 8.380 -26.672 1.00 72.14 H new ATOM 0 HB2 SER A 77 -10.039 6.709 -27.352 1.00 65.21 H new ATOM 0 HB3 SER A 77 -11.063 6.278 -25.997 1.00 65.21 H new ATOM 0 HG SER A 77 -11.722 5.239 -27.961 1.00 32.25 H new ATOM 1213 N LEU A 78 -9.455 8.969 -25.466 1.00 75.34 N ATOM 1214 CA LEU A 78 -8.734 9.446 -24.290 1.00 51.42 C ATOM 1215 C LEU A 78 -9.262 10.805 -23.841 1.00 42.31 C ATOM 1216 O LEU A 78 -9.716 10.963 -22.708 1.00 44.22 O ATOM 1217 CB LEU A 78 -7.238 9.540 -24.588 1.00 21.15 C ATOM 1218 CG LEU A 78 -6.362 8.441 -23.986 1.00 43.34 C ATOM 1219 CD1 LEU A 78 -6.521 8.400 -22.474 1.00 54.25 C ATOM 1220 CD2 LEU A 78 -6.705 7.090 -24.595 1.00 12.45 C ATOM 0 H LEU A 78 -8.867 8.805 -26.283 1.00 75.34 H new ATOM 0 HA LEU A 78 -8.893 8.731 -23.483 1.00 51.42 H new ATOM 0 HB2 LEU A 78 -7.102 9.533 -25.670 1.00 21.15 H new ATOM 0 HB3 LEU A 78 -6.876 10.503 -24.228 1.00 21.15 H new ATOM 0 HG LEU A 78 -5.321 8.667 -24.217 1.00 43.34 H new ATOM 0 HD11 LEU A 78 -5.890 7.612 -22.063 1.00 54.25 H new ATOM 0 HD12 LEU A 78 -6.225 9.360 -22.051 1.00 54.25 H new ATOM 0 HD13 LEU A 78 -7.562 8.199 -22.223 1.00 54.25 H new ATOM 0 HD21 LEU A 78 -6.071 6.321 -24.154 1.00 12.45 H new ATOM 0 HD22 LEU A 78 -7.751 6.856 -24.396 1.00 12.45 H new ATOM 0 HD23 LEU A 78 -6.539 7.124 -25.672 1.00 12.45 H new ATOM 1232 N TYR A 79 -9.201 11.782 -24.738 1.00 3.12 N ATOM 1233 CA TYR A 79 -9.672 13.128 -24.435 1.00 2.30 C ATOM 1234 C TYR A 79 -11.095 13.097 -23.885 1.00 3.31 C ATOM 1235 O TYR A 79 -11.466 13.916 -23.046 1.00 44.42 O ATOM 1236 CB TYR A 79 -9.617 14.005 -25.688 1.00 51.12 C ATOM 1237 CG TYR A 79 -9.489 15.481 -25.388 1.00 12.21 C ATOM 1238 CD1 TYR A 79 -8.341 15.993 -24.796 1.00 1.42 C ATOM 1239 CD2 TYR A 79 -10.516 16.364 -25.696 1.00 11.15 C ATOM 1240 CE1 TYR A 79 -8.220 17.341 -24.520 1.00 64.13 C ATOM 1241 CE2 TYR A 79 -10.404 17.714 -25.426 1.00 65.30 C ATOM 1242 CZ TYR A 79 -9.253 18.198 -24.837 1.00 12.23 C ATOM 1243 OH TYR A 79 -9.137 19.542 -24.565 1.00 52.55 O ATOM 0 H TYR A 79 -8.830 11.667 -25.681 1.00 3.12 H new ATOM 0 HA TYR A 79 -9.017 13.551 -23.674 1.00 2.30 H new ATOM 0 HB2 TYR A 79 -8.773 13.693 -26.303 1.00 51.12 H new ATOM 0 HB3 TYR A 79 -10.519 13.839 -26.277 1.00 51.12 H new ATOM 0 HD1 TYR A 79 -7.529 15.325 -24.547 1.00 1.42 H new ATOM 0 HD2 TYR A 79 -11.419 15.988 -26.155 1.00 11.15 H new ATOM 0 HE1 TYR A 79 -7.321 17.722 -24.058 1.00 64.13 H new ATOM 0 HE2 TYR A 79 -11.212 18.387 -25.674 1.00 65.30 H new ATOM 0 HH TYR A 79 -9.952 20.005 -24.851 1.00 52.55 H new ATOM 1253 N ASN A 80 -11.887 12.143 -24.364 1.00 45.30 N ATOM 1254 CA ASN A 80 -13.269 12.001 -23.921 1.00 34.33 C ATOM 1255 C ASN A 80 -13.330 11.573 -22.458 1.00 31.22 C ATOM 1256 O ASN A 80 -13.934 12.251 -21.626 1.00 25.41 O ATOM 1257 CB ASN A 80 -14.005 10.983 -24.794 1.00 42.11 C ATOM 1258 CG ASN A 80 -14.693 11.629 -25.981 1.00 51.33 C ATOM 1259 OD1 ASN A 80 -14.161 12.554 -26.595 1.00 44.34 O ATOM 1260 ND2 ASN A 80 -15.886 11.144 -26.309 1.00 43.11 N ATOM 0 H ASN A 80 -11.595 11.456 -25.059 1.00 45.30 H new ATOM 0 HA ASN A 80 -13.757 12.971 -24.018 1.00 34.33 H new ATOM 0 HB2 ASN A 80 -13.297 10.235 -25.151 1.00 42.11 H new ATOM 0 HB3 ASN A 80 -14.745 10.458 -24.190 1.00 42.11 H new ATOM 0 HD21 ASN A 80 -16.398 11.540 -27.097 1.00 43.11 H new ATOM 0 HD22 ASN A 80 -16.290 10.376 -25.772 1.00 43.11 H new ATOM 1267 N THR A 81 -12.701 10.444 -22.151 1.00 51.41 N ATOM 1268 CA THR A 81 -12.684 9.924 -20.790 1.00 70.15 C ATOM 1269 C THR A 81 -11.988 10.892 -19.840 1.00 21.21 C ATOM 1270 O THR A 81 -12.553 11.292 -18.822 1.00 74.14 O ATOM 1271 CB THR A 81 -11.978 8.557 -20.718 1.00 10.44 C ATOM 1272 OG1 THR A 81 -12.547 7.662 -21.682 1.00 65.32 O ATOM 1273 CG2 THR A 81 -12.101 7.957 -19.326 1.00 4.32 C ATOM 0 H THR A 81 -12.196 9.871 -22.827 1.00 51.41 H new ATOM 0 HA THR A 81 -13.724 9.804 -20.486 1.00 70.15 H new ATOM 0 HB THR A 81 -10.921 8.705 -20.939 1.00 10.44 H new ATOM 0 HG1 THR A 81 -12.217 7.891 -22.576 1.00 65.32 H new ATOM 0 HG21 THR A 81 -11.595 6.992 -19.300 1.00 4.32 H new ATOM 0 HG22 THR A 81 -11.642 8.627 -18.599 1.00 4.32 H new ATOM 0 HG23 THR A 81 -13.154 7.821 -19.080 1.00 4.32 H new ATOM 1281 N ILE A 82 -10.759 11.266 -20.180 1.00 23.31 N ATOM 1282 CA ILE A 82 -9.987 12.190 -19.358 1.00 45.44 C ATOM 1283 C ILE A 82 -10.781 13.456 -19.060 1.00 22.41 C ATOM 1284 O ILE A 82 -10.656 14.041 -17.984 1.00 12.15 O ATOM 1285 CB ILE A 82 -8.660 12.576 -20.039 1.00 54.31 C ATOM 1286 CG1 ILE A 82 -7.824 11.327 -20.322 1.00 4.13 C ATOM 1287 CG2 ILE A 82 -7.885 13.555 -19.171 1.00 42.41 C ATOM 1288 CD1 ILE A 82 -6.713 11.557 -21.323 1.00 23.30 C ATOM 0 H ILE A 82 -10.277 10.943 -21.019 1.00 23.31 H new ATOM 0 HA ILE A 82 -9.769 11.674 -18.423 1.00 45.44 H new ATOM 0 HB ILE A 82 -8.884 13.062 -20.989 1.00 54.31 H new ATOM 0 HG12 ILE A 82 -7.392 10.970 -19.387 1.00 4.13 H new ATOM 0 HG13 ILE A 82 -8.478 10.538 -20.693 1.00 4.13 H new ATOM 0 HG21 ILE A 82 -6.950 13.818 -19.665 1.00 42.41 H new ATOM 0 HG22 ILE A 82 -8.480 14.455 -19.017 1.00 42.41 H new ATOM 0 HG23 ILE A 82 -7.669 13.094 -18.207 1.00 42.41 H new ATOM 0 HD11 ILE A 82 -6.162 10.629 -21.475 1.00 23.30 H new ATOM 0 HD12 ILE A 82 -7.140 11.885 -22.271 1.00 23.30 H new ATOM 0 HD13 ILE A 82 -6.036 12.323 -20.945 1.00 23.30 H new ATOM 1300 N ALA A 83 -11.600 13.874 -20.019 1.00 3.44 N ATOM 1301 CA ALA A 83 -12.418 15.069 -19.859 1.00 11.13 C ATOM 1302 C ALA A 83 -13.460 14.878 -18.762 1.00 2.44 C ATOM 1303 O ALA A 83 -13.425 15.553 -17.733 1.00 11.24 O ATOM 1304 CB ALA A 83 -13.093 15.428 -21.175 1.00 62.21 C ATOM 0 H ALA A 83 -11.715 13.402 -20.916 1.00 3.44 H new ATOM 0 HA ALA A 83 -11.764 15.890 -19.564 1.00 11.13 H new ATOM 0 HB1 ALA A 83 -13.701 16.323 -21.040 1.00 62.21 H new ATOM 0 HB2 ALA A 83 -12.334 15.616 -21.934 1.00 62.21 H new ATOM 0 HB3 ALA A 83 -13.729 14.602 -21.495 1.00 62.21 H new ATOM 1310 N VAL A 84 -14.388 13.954 -18.990 1.00 73.44 N ATOM 1311 CA VAL A 84 -15.441 13.674 -18.021 1.00 73.14 C ATOM 1312 C VAL A 84 -14.858 13.412 -16.636 1.00 34.34 C ATOM 1313 O VAL A 84 -15.430 13.816 -15.623 1.00 53.44 O ATOM 1314 CB VAL A 84 -16.288 12.459 -18.447 1.00 31.43 C ATOM 1315 CG1 VAL A 84 -17.374 12.179 -17.420 1.00 14.24 C ATOM 1316 CG2 VAL A 84 -16.890 12.689 -19.825 1.00 52.33 C ATOM 0 H VAL A 84 -14.432 13.387 -19.837 1.00 73.44 H new ATOM 0 HA VAL A 84 -16.079 14.557 -17.983 1.00 73.14 H new ATOM 0 HB VAL A 84 -15.639 11.585 -18.500 1.00 31.43 H new ATOM 0 HG11 VAL A 84 -17.962 11.318 -17.738 1.00 14.24 H new ATOM 0 HG12 VAL A 84 -16.916 11.969 -16.454 1.00 14.24 H new ATOM 0 HG13 VAL A 84 -18.024 13.049 -17.331 1.00 14.24 H new ATOM 0 HG21 VAL A 84 -17.485 11.822 -20.111 1.00 52.33 H new ATOM 0 HG22 VAL A 84 -17.526 13.574 -19.801 1.00 52.33 H new ATOM 0 HG23 VAL A 84 -16.091 12.836 -20.551 1.00 52.33 H new ATOM 1326 N LEU A 85 -13.716 12.734 -16.600 1.00 30.32 N ATOM 1327 CA LEU A 85 -13.054 12.419 -15.339 1.00 13.03 C ATOM 1328 C LEU A 85 -12.640 13.691 -14.607 1.00 33.30 C ATOM 1329 O LEU A 85 -13.049 13.926 -13.470 1.00 63.42 O ATOM 1330 CB LEU A 85 -11.827 11.540 -15.591 1.00 60.01 C ATOM 1331 CG LEU A 85 -11.434 10.595 -14.456 1.00 51.25 C ATOM 1332 CD1 LEU A 85 -12.330 9.365 -14.450 1.00 24.52 C ATOM 1333 CD2 LEU A 85 -9.971 10.192 -14.579 1.00 53.42 C ATOM 0 H LEU A 85 -13.230 12.392 -17.429 1.00 30.32 H new ATOM 0 HA LEU A 85 -13.761 11.876 -14.712 1.00 13.03 H new ATOM 0 HB2 LEU A 85 -12.009 10.945 -16.486 1.00 60.01 H new ATOM 0 HB3 LEU A 85 -10.978 12.189 -15.807 1.00 60.01 H new ATOM 0 HG LEU A 85 -11.567 11.120 -13.510 1.00 51.25 H new ATOM 0 HD11 LEU A 85 -12.035 8.704 -13.635 1.00 24.52 H new ATOM 0 HD12 LEU A 85 -13.367 9.671 -14.312 1.00 24.52 H new ATOM 0 HD13 LEU A 85 -12.231 8.838 -15.399 1.00 24.52 H new ATOM 0 HD21 LEU A 85 -9.709 9.519 -13.762 1.00 53.42 H new ATOM 0 HD22 LEU A 85 -9.812 9.686 -15.531 1.00 53.42 H new ATOM 0 HD23 LEU A 85 -9.343 11.082 -14.531 1.00 53.42 H new ATOM 1345 N TYR A 86 -11.831 14.512 -15.269 1.00 41.11 N ATOM 1346 CA TYR A 86 -11.363 15.761 -14.681 1.00 5.31 C ATOM 1347 C TYR A 86 -12.532 16.591 -14.161 1.00 42.44 C ATOM 1348 O TYR A 86 -12.445 17.211 -13.101 1.00 72.34 O ATOM 1349 CB TYR A 86 -10.569 16.567 -15.711 1.00 63.35 C ATOM 1350 CG TYR A 86 -10.219 17.963 -15.248 1.00 62.33 C ATOM 1351 CD1 TYR A 86 -9.039 18.213 -14.559 1.00 20.24 C ATOM 1352 CD2 TYR A 86 -11.069 19.033 -15.500 1.00 11.11 C ATOM 1353 CE1 TYR A 86 -8.715 19.488 -14.134 1.00 53.45 C ATOM 1354 CE2 TYR A 86 -10.754 20.310 -15.080 1.00 73.20 C ATOM 1355 CZ TYR A 86 -9.577 20.533 -14.396 1.00 10.23 C ATOM 1356 OH TYR A 86 -9.258 21.803 -13.976 1.00 33.41 O ATOM 0 H TYR A 86 -11.486 14.335 -16.212 1.00 41.11 H new ATOM 0 HA TYR A 86 -10.713 15.516 -13.841 1.00 5.31 H new ATOM 0 HB2 TYR A 86 -9.650 16.031 -15.949 1.00 63.35 H new ATOM 0 HB3 TYR A 86 -11.147 16.633 -16.632 1.00 63.35 H new ATOM 0 HD1 TYR A 86 -8.363 17.397 -14.352 1.00 20.24 H new ATOM 0 HD2 TYR A 86 -11.992 18.863 -16.034 1.00 11.11 H new ATOM 0 HE1 TYR A 86 -7.793 19.665 -13.600 1.00 53.45 H new ATOM 0 HE2 TYR A 86 -11.426 21.130 -15.286 1.00 73.20 H new ATOM 0 HH TYR A 86 -9.969 22.423 -14.241 1.00 33.41 H new ATOM 1366 N CYS A 87 -13.626 16.597 -14.915 1.00 43.45 N ATOM 1367 CA CYS A 87 -14.815 17.349 -14.532 1.00 24.52 C ATOM 1368 C CYS A 87 -15.409 16.807 -13.236 1.00 41.24 C ATOM 1369 O CYS A 87 -15.848 17.568 -12.375 1.00 54.13 O ATOM 1370 CB CYS A 87 -15.859 17.296 -15.647 1.00 30.13 C ATOM 1371 SG CYS A 87 -15.600 18.512 -16.960 1.00 75.23 S ATOM 0 H CYS A 87 -13.714 16.089 -15.795 1.00 43.45 H new ATOM 0 HA CYS A 87 -14.521 18.386 -14.369 1.00 24.52 H new ATOM 0 HB2 CYS A 87 -15.856 16.298 -16.085 1.00 30.13 H new ATOM 0 HB3 CYS A 87 -16.847 17.451 -15.213 1.00 30.13 H new ATOM 0 HG CYS A 87 -16.746 19.002 -17.330 1.00 75.23 H new ATOM 1377 N VAL A 88 -15.420 15.484 -13.105 1.00 43.21 N ATOM 1378 CA VAL A 88 -15.960 14.837 -11.915 1.00 34.23 C ATOM 1379 C VAL A 88 -15.089 15.115 -10.695 1.00 33.32 C ATOM 1380 O VAL A 88 -15.583 15.539 -9.650 1.00 24.44 O ATOM 1381 CB VAL A 88 -16.083 13.315 -12.110 1.00 44.34 C ATOM 1382 CG1 VAL A 88 -16.620 12.656 -10.847 1.00 25.34 C ATOM 1383 CG2 VAL A 88 -16.970 13.000 -13.304 1.00 10.20 C ATOM 0 H VAL A 88 -15.061 14.839 -13.809 1.00 43.21 H new ATOM 0 HA VAL A 88 -16.953 15.255 -11.751 1.00 34.23 H new ATOM 0 HB VAL A 88 -15.090 12.911 -12.308 1.00 44.34 H new ATOM 0 HG11 VAL A 88 -16.700 11.580 -11.004 1.00 25.34 H new ATOM 0 HG12 VAL A 88 -15.941 12.852 -10.017 1.00 25.34 H new ATOM 0 HG13 VAL A 88 -17.604 13.063 -10.614 1.00 25.34 H new ATOM 0 HG21 VAL A 88 -17.045 11.920 -13.426 1.00 10.20 H new ATOM 0 HG22 VAL A 88 -17.964 13.417 -13.139 1.00 10.20 H new ATOM 0 HG23 VAL A 88 -16.538 13.438 -14.204 1.00 10.20 H new ATOM 1393 N HIS A 89 -13.789 14.874 -10.836 1.00 41.52 N ATOM 1394 CA HIS A 89 -12.847 15.098 -9.746 1.00 43.22 C ATOM 1395 C HIS A 89 -12.947 16.530 -9.228 1.00 10.34 C ATOM 1396 O HIS A 89 -12.888 16.696 -8.011 1.00 25.50 O ATOM 1397 CB HIS A 89 -11.418 14.811 -10.211 1.00 72.44 C ATOM 1398 CG HIS A 89 -11.104 13.350 -10.309 1.00 25.25 C ATOM 1399 ND1 HIS A 89 -11.677 12.399 -9.493 1.00 41.11 N ATOM 1400 CD2 HIS A 89 -10.269 12.678 -11.136 1.00 33.35 C ATOM 1401 CE1 HIS A 89 -11.209 11.206 -9.813 1.00 63.12 C ATOM 1402 NE2 HIS A 89 -10.352 11.347 -10.808 1.00 33.45 N ATOM 0 H HIS A 89 -13.364 14.524 -11.695 1.00 41.52 H new ATOM 0 HA HIS A 89 -13.101 14.417 -8.934 1.00 43.22 H new ATOM 0 HB2 HIS A 89 -11.261 15.274 -11.185 1.00 72.44 H new ATOM 0 HB3 HIS A 89 -10.718 15.279 -9.519 1.00 72.44 H new ATOM 0 HD2 HIS A 89 -9.652 13.109 -11.910 1.00 33.35 H new ATOM 0 HE1 HIS A 89 -11.481 10.273 -9.341 1.00 63.12 H new ATOM 0 HE2 HIS A 89 -9.836 10.591 -11.259 1.00 33.45 H new ATOM 1411 N GLN A 90 -13.093 17.532 -10.090 1.00 45.31 N ATOM 1412 CA GLN A 90 -13.193 18.916 -9.641 1.00 0.43 C ATOM 1413 C GLN A 90 -14.540 19.177 -8.977 1.00 31.20 C ATOM 1414 O GLN A 90 -14.614 19.399 -7.768 1.00 5.40 O ATOM 1415 CB GLN A 90 -12.999 19.871 -10.821 1.00 51.54 C ATOM 1416 CG GLN A 90 -12.722 21.306 -10.402 1.00 41.44 C ATOM 1417 CD GLN A 90 -12.730 22.268 -11.573 1.00 11.01 C ATOM 1418 OE1 GLN A 90 -13.184 21.929 -12.667 1.00 31.01 O ATOM 1419 NE2 GLN A 90 -12.225 23.476 -11.352 1.00 54.31 N ATOM 0 H GLN A 90 -13.145 17.411 -11.102 1.00 45.31 H new ATOM 0 HA GLN A 90 -12.407 19.091 -8.906 1.00 0.43 H new ATOM 0 HB2 GLN A 90 -12.172 19.514 -11.435 1.00 51.54 H new ATOM 0 HB3 GLN A 90 -13.892 19.849 -11.446 1.00 51.54 H new ATOM 0 HG2 GLN A 90 -13.471 21.619 -9.675 1.00 41.44 H new ATOM 0 HG3 GLN A 90 -11.754 21.354 -9.904 1.00 41.44 H new ATOM 0 HE21 GLN A 90 -11.859 23.715 -10.430 1.00 54.31 H new ATOM 0 HE22 GLN A 90 -12.203 24.165 -12.104 1.00 54.31 H new ATOM 1428 N ARG A 91 -15.604 19.149 -9.774 1.00 64.31 N ATOM 1429 CA ARG A 91 -16.948 19.385 -9.262 1.00 61.14 C ATOM 1430 C ARG A 91 -17.981 19.279 -10.380 1.00 52.13 C ATOM 1431 O ARG A 91 -19.099 18.811 -10.163 1.00 63.33 O ATOM 1432 CB ARG A 91 -17.032 20.763 -8.604 1.00 71.21 C ATOM 1433 CG ARG A 91 -16.472 21.884 -9.464 1.00 11.31 C ATOM 1434 CD ARG A 91 -16.346 23.180 -8.679 1.00 70.11 C ATOM 1435 NE ARG A 91 -16.829 24.330 -9.440 1.00 61.22 N ATOM 1436 CZ ARG A 91 -17.187 25.481 -8.883 1.00 72.31 C ATOM 1437 NH1 ARG A 91 -17.118 25.635 -7.567 1.00 13.13 N1+ ATOM 1438 NH2 ARG A 91 -17.616 26.482 -9.642 1.00 24.00 N ATOM 0 H ARG A 91 -15.561 18.965 -10.776 1.00 64.31 H new ATOM 0 HA ARG A 91 -17.165 18.621 -8.516 1.00 61.14 H new ATOM 0 HB2 ARG A 91 -18.074 20.982 -8.370 1.00 71.21 H new ATOM 0 HB3 ARG A 91 -16.492 20.738 -7.658 1.00 71.21 H new ATOM 0 HG2 ARG A 91 -15.494 21.594 -9.849 1.00 11.31 H new ATOM 0 HG3 ARG A 91 -17.120 22.041 -10.326 1.00 11.31 H new ATOM 0 HD2 ARG A 91 -16.910 23.097 -7.750 1.00 70.11 H new ATOM 0 HD3 ARG A 91 -15.303 23.338 -8.406 1.00 70.11 H new ATOM 0 HE ARG A 91 -16.895 24.244 -10.454 1.00 61.22 H new ATOM 0 HH11 ARG A 91 -16.789 24.868 -6.980 1.00 13.13 H new ATOM 0 HH12 ARG A 91 -17.394 26.520 -7.142 1.00 13.13 H new ATOM 0 HH21 ARG A 91 -17.671 26.367 -10.654 1.00 24.00 H new ATOM 0 HH22 ARG A 91 -17.891 27.366 -9.213 1.00 24.00 H new ATOM 1452 N ILE A 92 -17.599 19.717 -11.574 1.00 1.43 N ATOM 1453 CA ILE A 92 -18.493 19.671 -12.726 1.00 64.05 C ATOM 1454 C ILE A 92 -19.078 18.276 -12.912 1.00 63.04 C ATOM 1455 O ILE A 92 -18.344 17.296 -13.052 1.00 55.11 O ATOM 1456 CB ILE A 92 -17.766 20.086 -14.019 1.00 71.30 C ATOM 1457 CG1 ILE A 92 -17.150 21.478 -13.859 1.00 52.52 C ATOM 1458 CG2 ILE A 92 -18.727 20.058 -15.198 1.00 31.53 C ATOM 1459 CD1 ILE A 92 -15.680 21.532 -14.211 1.00 4.13 C ATOM 0 H ILE A 92 -16.677 20.108 -11.770 1.00 1.43 H new ATOM 0 HA ILE A 92 -19.299 20.378 -12.528 1.00 64.05 H new ATOM 0 HB ILE A 92 -16.963 19.374 -14.212 1.00 71.30 H new ATOM 0 HG12 ILE A 92 -17.693 22.181 -14.491 1.00 52.52 H new ATOM 0 HG13 ILE A 92 -17.281 21.808 -12.829 1.00 52.52 H new ATOM 0 HG21 ILE A 92 -18.199 20.354 -16.105 1.00 31.53 H new ATOM 0 HG22 ILE A 92 -19.123 19.050 -15.321 1.00 31.53 H new ATOM 0 HG23 ILE A 92 -19.548 20.750 -15.014 1.00 31.53 H new ATOM 0 HD11 ILE A 92 -15.310 22.548 -14.074 1.00 4.13 H new ATOM 0 HD12 ILE A 92 -15.125 20.854 -13.562 1.00 4.13 H new ATOM 0 HD13 ILE A 92 -15.543 21.233 -15.250 1.00 4.13 H new ATOM 1471 N ASP A 93 -20.404 18.191 -12.912 1.00 33.35 N ATOM 1472 CA ASP A 93 -21.090 16.917 -13.084 1.00 4.24 C ATOM 1473 C ASP A 93 -21.889 16.899 -14.383 1.00 63.41 C ATOM 1474 O ASP A 93 -23.106 16.715 -14.373 1.00 31.32 O ATOM 1475 CB ASP A 93 -22.016 16.648 -11.897 1.00 13.54 C ATOM 1476 CG ASP A 93 -21.273 16.622 -10.576 1.00 32.51 C ATOM 1477 OD1 ASP A 93 -20.234 15.935 -10.493 1.00 62.42 O ATOM 1478 OD2 ASP A 93 -21.729 17.292 -9.626 1.00 13.10 O1- ATOM 0 H ASP A 93 -21.025 18.991 -12.795 1.00 33.35 H new ATOM 0 HA ASP A 93 -20.336 16.131 -13.133 1.00 4.24 H new ATOM 0 HB2 ASP A 93 -22.788 17.417 -11.861 1.00 13.54 H new ATOM 0 HB3 ASP A 93 -22.523 15.694 -12.044 1.00 13.54 H new ATOM 1483 N VAL A 94 -21.196 17.093 -15.501 1.00 73.03 N ATOM 1484 CA VAL A 94 -21.841 17.100 -16.809 1.00 24.11 C ATOM 1485 C VAL A 94 -22.692 15.851 -17.009 1.00 70.13 C ATOM 1486 O VAL A 94 -22.599 14.893 -16.240 1.00 22.14 O ATOM 1487 CB VAL A 94 -20.805 17.188 -17.945 1.00 34.51 C ATOM 1488 CG1 VAL A 94 -20.049 18.507 -17.877 1.00 73.21 C ATOM 1489 CG2 VAL A 94 -19.844 16.011 -17.883 1.00 53.43 C ATOM 0 H VAL A 94 -20.188 17.247 -15.527 1.00 73.03 H new ATOM 0 HA VAL A 94 -22.481 17.982 -16.841 1.00 24.11 H new ATOM 0 HB VAL A 94 -21.333 17.147 -18.898 1.00 34.51 H new ATOM 0 HG11 VAL A 94 -19.321 18.551 -18.687 1.00 73.21 H new ATOM 0 HG12 VAL A 94 -20.752 19.335 -17.974 1.00 73.21 H new ATOM 0 HG13 VAL A 94 -19.532 18.581 -16.920 1.00 73.21 H new ATOM 0 HG21 VAL A 94 -19.119 16.090 -18.693 1.00 53.43 H new ATOM 0 HG22 VAL A 94 -19.321 16.018 -16.927 1.00 53.43 H new ATOM 0 HG23 VAL A 94 -20.402 15.080 -17.985 1.00 53.43 H new ATOM 1499 N LYS A 95 -23.522 15.867 -18.046 1.00 40.44 N ATOM 1500 CA LYS A 95 -24.390 14.735 -18.350 1.00 43.13 C ATOM 1501 C LYS A 95 -23.754 13.829 -19.400 1.00 51.45 C ATOM 1502 O LYS A 95 -24.042 12.633 -19.456 1.00 64.51 O ATOM 1503 CB LYS A 95 -25.751 15.229 -18.844 1.00 54.45 C ATOM 1504 CG LYS A 95 -26.703 15.610 -17.723 1.00 1.40 C ATOM 1505 CD LYS A 95 -27.455 16.891 -18.040 1.00 1.34 C ATOM 1506 CE LYS A 95 -28.945 16.742 -17.782 1.00 53.04 C ATOM 1507 NZ LYS A 95 -29.730 17.838 -18.414 1.00 75.24 N1+ ATOM 0 H LYS A 95 -23.612 16.652 -18.691 1.00 40.44 H new ATOM 0 HA LYS A 95 -24.529 14.159 -17.435 1.00 43.13 H new ATOM 0 HB2 LYS A 95 -25.601 16.093 -19.492 1.00 54.45 H new ATOM 0 HB3 LYS A 95 -26.212 14.451 -19.452 1.00 54.45 H new ATOM 0 HG2 LYS A 95 -27.415 14.801 -17.558 1.00 1.40 H new ATOM 0 HG3 LYS A 95 -26.143 15.736 -16.796 1.00 1.40 H new ATOM 0 HD2 LYS A 95 -27.060 17.706 -17.433 1.00 1.34 H new ATOM 0 HD3 LYS A 95 -27.291 17.162 -19.083 1.00 1.34 H new ATOM 0 HE2 LYS A 95 -29.286 15.782 -18.168 1.00 53.04 H new ATOM 0 HE3 LYS A 95 -29.129 16.737 -16.708 1.00 53.04 H new ATOM 0 HZ1 LYS A 95 -30.741 17.700 -18.215 1.00 75.24 H new ATOM 0 HZ2 LYS A 95 -29.423 18.753 -18.027 1.00 75.24 H new ATOM 0 HZ3 LYS A 95 -29.575 17.828 -19.442 1.00 75.24 H new ATOM 1521 N ASP A 96 -22.890 14.405 -20.227 1.00 64.31 N ATOM 1522 CA ASP A 96 -22.212 13.649 -21.274 1.00 41.04 C ATOM 1523 C ASP A 96 -20.793 14.166 -21.486 1.00 72.31 C ATOM 1524 O ASP A 96 -20.383 15.156 -20.877 1.00 12.35 O ATOM 1525 CB ASP A 96 -22.999 13.730 -22.583 1.00 40.14 C ATOM 1526 CG ASP A 96 -23.557 15.116 -22.837 1.00 20.12 C ATOM 1527 OD1 ASP A 96 -22.754 16.059 -23.001 1.00 51.23 O ATOM 1528 OD2 ASP A 96 -24.797 15.258 -22.875 1.00 45.23 O1- ATOM 0 H ASP A 96 -22.642 15.394 -20.193 1.00 64.31 H new ATOM 0 HA ASP A 96 -22.156 12.608 -20.957 1.00 41.04 H new ATOM 0 HB2 ASP A 96 -22.351 13.445 -23.412 1.00 40.14 H new ATOM 0 HB3 ASP A 96 -23.818 13.011 -22.557 1.00 40.14 H new ATOM 1533 N THR A 97 -20.045 13.491 -22.352 1.00 14.24 N ATOM 1534 CA THR A 97 -18.671 13.881 -22.643 1.00 1.40 C ATOM 1535 C THR A 97 -18.623 15.211 -23.387 1.00 45.05 C ATOM 1536 O THR A 97 -17.627 15.932 -23.326 1.00 70.25 O ATOM 1537 CB THR A 97 -17.950 12.810 -23.483 1.00 24.14 C ATOM 1538 OG1 THR A 97 -18.040 11.536 -22.835 1.00 31.14 O ATOM 1539 CG2 THR A 97 -16.488 13.177 -23.688 1.00 23.10 C ATOM 0 H THR A 97 -20.368 12.671 -22.865 1.00 14.24 H new ATOM 0 HA THR A 97 -18.162 13.985 -21.685 1.00 1.40 H new ATOM 0 HB THR A 97 -18.436 12.757 -24.457 1.00 24.14 H new ATOM 0 HG1 THR A 97 -18.314 10.857 -23.486 1.00 31.14 H new ATOM 0 HG21 THR A 97 -15.999 12.406 -24.284 1.00 23.10 H new ATOM 0 HG22 THR A 97 -16.422 14.133 -24.207 1.00 23.10 H new ATOM 0 HG23 THR A 97 -15.993 13.255 -22.720 1.00 23.10 H new ATOM 1547 N LYS A 98 -19.704 15.531 -24.089 1.00 52.23 N ATOM 1548 CA LYS A 98 -19.788 16.776 -24.843 1.00 5.02 C ATOM 1549 C LYS A 98 -19.766 17.980 -23.908 1.00 30.12 C ATOM 1550 O LYS A 98 -18.894 18.842 -24.012 1.00 62.25 O ATOM 1551 CB LYS A 98 -21.060 16.797 -25.692 1.00 31.42 C ATOM 1552 CG LYS A 98 -20.940 17.646 -26.946 1.00 41.30 C ATOM 1553 CD LYS A 98 -22.199 18.459 -27.193 1.00 75.31 C ATOM 1554 CE LYS A 98 -22.181 19.113 -28.566 1.00 41.05 C ATOM 1555 NZ LYS A 98 -22.332 20.592 -28.479 1.00 12.40 N1+ ATOM 0 H LYS A 98 -20.536 14.944 -24.152 1.00 52.23 H new ATOM 0 HA LYS A 98 -18.920 16.834 -25.500 1.00 5.02 H new ATOM 0 HB2 LYS A 98 -21.313 15.776 -25.977 1.00 31.42 H new ATOM 0 HB3 LYS A 98 -21.885 17.173 -25.087 1.00 31.42 H new ATOM 0 HG2 LYS A 98 -20.086 18.317 -26.852 1.00 41.30 H new ATOM 0 HG3 LYS A 98 -20.747 17.003 -27.805 1.00 41.30 H new ATOM 0 HD2 LYS A 98 -23.073 17.813 -27.108 1.00 75.31 H new ATOM 0 HD3 LYS A 98 -22.294 19.226 -26.425 1.00 75.31 H new ATOM 0 HE2 LYS A 98 -21.245 18.873 -29.070 1.00 41.05 H new ATOM 0 HE3 LYS A 98 -22.986 18.701 -29.175 1.00 41.05 H new ATOM 0 HZ1 LYS A 98 -22.315 21.000 -29.436 1.00 12.40 H new ATOM 0 HZ2 LYS A 98 -23.237 20.822 -28.021 1.00 12.40 H new ATOM 0 HZ3 LYS A 98 -21.550 20.988 -27.920 1.00 12.40 H new ATOM 1569 N GLU A 99 -20.732 18.034 -22.996 1.00 45.43 N ATOM 1570 CA GLU A 99 -20.821 19.133 -22.043 1.00 54.54 C ATOM 1571 C GLU A 99 -19.497 19.330 -21.312 1.00 21.12 C ATOM 1572 O GLU A 99 -19.086 20.459 -21.044 1.00 13.12 O ATOM 1573 CB GLU A 99 -21.940 18.870 -21.031 1.00 33.53 C ATOM 1574 CG GLU A 99 -23.013 19.946 -21.017 1.00 50.12 C ATOM 1575 CD GLU A 99 -24.329 19.465 -21.597 1.00 22.03 C ATOM 1576 OE1 GLU A 99 -24.483 19.513 -22.835 1.00 52.32 O ATOM 1577 OE2 GLU A 99 -25.204 19.041 -20.813 1.00 21.45 O1- ATOM 0 H GLU A 99 -21.463 17.330 -22.898 1.00 45.43 H new ATOM 0 HA GLU A 99 -21.048 20.043 -22.598 1.00 54.54 H new ATOM 0 HB2 GLU A 99 -22.403 17.909 -21.256 1.00 33.53 H new ATOM 0 HB3 GLU A 99 -21.506 18.789 -20.035 1.00 33.53 H new ATOM 0 HG2 GLU A 99 -23.173 20.281 -19.992 1.00 50.12 H new ATOM 0 HG3 GLU A 99 -22.664 20.809 -21.584 1.00 50.12 H new ATOM 1584 N ALA A 100 -18.834 18.224 -20.993 1.00 62.32 N ATOM 1585 CA ALA A 100 -17.554 18.275 -20.295 1.00 50.42 C ATOM 1586 C ALA A 100 -16.483 18.928 -21.161 1.00 71.54 C ATOM 1587 O ALA A 100 -15.561 19.567 -20.649 1.00 52.21 O ATOM 1588 CB ALA A 100 -17.122 16.874 -19.885 1.00 71.45 C ATOM 0 H ALA A 100 -19.161 17.282 -21.206 1.00 62.32 H new ATOM 0 HA ALA A 100 -17.680 18.882 -19.399 1.00 50.42 H new ATOM 0 HB1 ALA A 100 -16.165 16.926 -19.365 1.00 71.45 H new ATOM 0 HB2 ALA A 100 -17.872 16.441 -19.223 1.00 71.45 H new ATOM 0 HB3 ALA A 100 -17.019 16.251 -20.773 1.00 71.45 H new ATOM 1594 N LEU A 101 -16.608 18.766 -22.473 1.00 1.41 N ATOM 1595 CA LEU A 101 -15.649 19.339 -23.410 1.00 31.51 C ATOM 1596 C LEU A 101 -15.805 20.855 -23.489 1.00 31.11 C ATOM 1597 O LEU A 101 -14.820 21.588 -23.569 1.00 65.42 O ATOM 1598 CB LEU A 101 -15.831 18.724 -24.799 1.00 63.13 C ATOM 1599 CG LEU A 101 -14.555 18.243 -25.492 1.00 44.01 C ATOM 1600 CD1 LEU A 101 -13.615 19.410 -25.749 1.00 41.14 C ATOM 1601 CD2 LEU A 101 -13.864 17.174 -24.656 1.00 14.44 C ATOM 0 H LEU A 101 -17.365 18.242 -22.912 1.00 1.41 H new ATOM 0 HA LEU A 101 -14.646 19.113 -23.048 1.00 31.51 H new ATOM 0 HB2 LEU A 101 -16.515 17.880 -24.714 1.00 63.13 H new ATOM 0 HB3 LEU A 101 -16.313 19.461 -25.441 1.00 63.13 H new ATOM 0 HG LEU A 101 -14.829 17.805 -26.452 1.00 44.01 H new ATOM 0 HD11 LEU A 101 -12.713 19.049 -26.243 1.00 41.14 H new ATOM 0 HD12 LEU A 101 -14.110 20.142 -26.388 1.00 41.14 H new ATOM 0 HD13 LEU A 101 -13.348 19.877 -24.801 1.00 41.14 H new ATOM 0 HD21 LEU A 101 -12.958 16.844 -25.164 1.00 14.44 H new ATOM 0 HD22 LEU A 101 -13.603 17.587 -23.681 1.00 14.44 H new ATOM 0 HD23 LEU A 101 -14.535 16.326 -24.523 1.00 14.44 H new ATOM 1613 N ASP A 102 -17.051 21.317 -23.466 1.00 20.12 N ATOM 1614 CA ASP A 102 -17.336 22.746 -23.532 1.00 51.30 C ATOM 1615 C ASP A 102 -16.877 23.452 -22.260 1.00 4.44 C ATOM 1616 O ASP A 102 -16.302 24.539 -22.314 1.00 72.23 O ATOM 1617 CB ASP A 102 -18.833 22.979 -23.745 1.00 13.44 C ATOM 1618 CG ASP A 102 -19.197 24.450 -23.737 1.00 51.41 C ATOM 1619 OD1 ASP A 102 -18.436 25.254 -24.315 1.00 13.23 O ATOM 1620 OD2 ASP A 102 -20.245 24.798 -23.152 1.00 3.04 O1- ATOM 0 H ASP A 102 -17.878 20.724 -23.402 1.00 20.12 H new ATOM 0 HA ASP A 102 -16.786 23.162 -24.376 1.00 51.30 H new ATOM 0 HB2 ASP A 102 -19.135 22.538 -24.695 1.00 13.44 H new ATOM 0 HB3 ASP A 102 -19.392 22.465 -22.963 1.00 13.44 H new ATOM 1625 N LYS A 103 -17.133 22.825 -21.117 1.00 60.53 N ATOM 1626 CA LYS A 103 -16.745 23.392 -19.830 1.00 54.32 C ATOM 1627 C LYS A 103 -15.241 23.637 -19.774 1.00 3.01 C ATOM 1628 O LYS A 103 -14.791 24.702 -19.350 1.00 62.22 O ATOM 1629 CB LYS A 103 -17.164 22.458 -18.691 1.00 21.43 C ATOM 1630 CG LYS A 103 -18.261 23.028 -17.809 1.00 33.52 C ATOM 1631 CD LYS A 103 -19.633 22.539 -18.240 1.00 41.41 C ATOM 1632 CE LYS A 103 -20.711 23.571 -17.945 1.00 33.44 C ATOM 1633 NZ LYS A 103 -20.870 23.805 -16.484 1.00 73.30 N1+ ATOM 0 H LYS A 103 -17.607 21.924 -21.055 1.00 60.53 H new ATOM 0 HA LYS A 103 -17.255 24.348 -19.714 1.00 54.32 H new ATOM 0 HB2 LYS A 103 -17.504 21.513 -19.114 1.00 21.43 H new ATOM 0 HB3 LYS A 103 -16.293 22.236 -18.075 1.00 21.43 H new ATOM 0 HG2 LYS A 103 -18.081 22.743 -16.773 1.00 33.52 H new ATOM 0 HG3 LYS A 103 -18.233 24.117 -17.849 1.00 33.52 H new ATOM 0 HD2 LYS A 103 -19.623 22.317 -19.307 1.00 41.41 H new ATOM 0 HD3 LYS A 103 -19.868 21.608 -17.723 1.00 41.41 H new ATOM 0 HE2 LYS A 103 -20.459 24.510 -18.438 1.00 33.44 H new ATOM 0 HE3 LYS A 103 -21.659 23.235 -18.364 1.00 33.44 H new ATOM 0 HZ1 LYS A 103 -21.637 24.489 -16.323 1.00 73.30 H new ATOM 0 HZ2 LYS A 103 -21.102 22.908 -16.012 1.00 73.30 H new ATOM 0 HZ3 LYS A 103 -19.983 24.182 -16.094 1.00 73.30 H new ATOM 1647 N ILE A 104 -14.468 22.645 -20.205 1.00 11.43 N ATOM 1648 CA ILE A 104 -13.015 22.754 -20.207 1.00 22.53 C ATOM 1649 C ILE A 104 -12.534 23.687 -21.314 1.00 10.32 C ATOM 1650 O ILE A 104 -11.695 24.557 -21.084 1.00 12.34 O ATOM 1651 CB ILE A 104 -12.346 21.378 -20.384 1.00 12.13 C ATOM 1652 CG1 ILE A 104 -12.800 20.421 -19.280 1.00 63.52 C ATOM 1653 CG2 ILE A 104 -10.832 21.521 -20.380 1.00 13.24 C ATOM 1654 CD1 ILE A 104 -12.436 18.977 -19.546 1.00 51.32 C ATOM 0 H ILE A 104 -14.825 21.757 -20.557 1.00 11.43 H new ATOM 0 HA ILE A 104 -12.729 23.165 -19.239 1.00 22.53 H new ATOM 0 HB ILE A 104 -12.649 20.963 -21.345 1.00 12.13 H new ATOM 0 HG12 ILE A 104 -12.354 20.732 -18.335 1.00 63.52 H new ATOM 0 HG13 ILE A 104 -13.881 20.500 -19.164 1.00 63.52 H new ATOM 0 HG21 ILE A 104 -10.374 20.540 -20.506 1.00 13.24 H new ATOM 0 HG22 ILE A 104 -10.526 22.172 -21.199 1.00 13.24 H new ATOM 0 HG23 ILE A 104 -10.510 21.953 -19.433 1.00 13.24 H new ATOM 0 HD11 ILE A 104 -12.788 18.355 -18.723 1.00 51.32 H new ATOM 0 HD12 ILE A 104 -12.903 18.649 -20.474 1.00 51.32 H new ATOM 0 HD13 ILE A 104 -11.353 18.885 -19.633 1.00 51.32 H new ATOM 1666 N GLU A 105 -13.075 23.499 -22.514 1.00 3.14 N ATOM 1667 CA GLU A 105 -12.701 24.324 -23.657 1.00 52.22 C ATOM 1668 C GLU A 105 -12.920 25.804 -23.354 1.00 2.01 C ATOM 1669 O GLU A 105 -12.101 26.648 -23.715 1.00 60.31 O ATOM 1670 CB GLU A 105 -13.509 23.921 -24.892 1.00 54.43 C ATOM 1671 CG GLU A 105 -13.123 24.681 -26.149 1.00 61.35 C ATOM 1672 CD GLU A 105 -11.690 24.420 -26.570 1.00 32.14 C ATOM 1673 OE1 GLU A 105 -10.789 25.134 -26.083 1.00 22.14 O ATOM 1674 OE2 GLU A 105 -11.469 23.501 -27.387 1.00 13.13 O1- ATOM 0 H GLU A 105 -13.773 22.784 -22.720 1.00 3.14 H new ATOM 0 HA GLU A 105 -11.642 24.164 -23.857 1.00 52.22 H new ATOM 0 HB2 GLU A 105 -13.378 22.853 -25.069 1.00 54.43 H new ATOM 0 HB3 GLU A 105 -14.568 24.083 -24.691 1.00 54.43 H new ATOM 0 HG2 GLU A 105 -13.794 24.398 -26.961 1.00 61.35 H new ATOM 0 HG3 GLU A 105 -13.260 25.749 -25.980 1.00 61.35 H new