USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 685 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 9 SER OG : rot 180:sc= 0.213 USER MOD Set 1.2: A 11 THR OG1 : rot 88:sc= 0.217 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.14 (180deg=0) USER MOD Single : A 3 MET CE :methyl -141:sc= 0 (180deg=-0.01) USER MOD Single : A 5 LYS NZ :NH3+ -169:sc= 0.473 (180deg=0.221) USER MOD Single : A 13 LYS NZ :NH3+ -132:sc= 0.4 (180deg=-0.134) USER MOD Single : A 16 CYS SG : rot 76:sc= -0.0936 USER MOD Single : A 19 TYR OH : rot -165:sc= 1.25 USER MOD Single : A 35 HIS : no HD1:sc=-0.00648 X(o=-0.0065,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0644 K(o=-0.064,f=-2.4!) USER MOD Single : A 66 SER OG : rot 78:sc= 0.838 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0167 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00453 USER MOD Single : A 80 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1.16) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -106:sc= 1.16 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 GLN : amide:sc= -0.162 K(o=-0.16,f=-0.96) USER MOD Single : A 91 LYS NZ :NH3+ -169:sc= 0.963 (180deg=0.884) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.107 7.118 -16.787 1.00 53.13 N ATOM 2 CA GLY A 1 -1.005 6.172 -17.054 1.00 20.24 C ATOM 3 C GLY A 1 -1.174 5.198 -15.919 1.00 73.30 C ATOM 4 O GLY A 1 -0.401 5.272 -14.975 1.00 14.12 O ATOM 0 H1 GLY A 1 -0.250 8.094 -16.829 1.00 53.13 H new ATOM 0 H2 GLY A 1 0.500 6.934 -15.842 1.00 53.13 H new ATOM 0 H3 GLY A 1 0.851 6.990 -17.503 1.00 53.13 H new ATOM 0 HA2 GLY A 1 -1.931 6.727 -17.201 1.00 20.24 H new ATOM 0 HA3 GLY A 1 -0.809 5.628 -17.978 1.00 20.24 H new ATOM 8 N ALA A 2 -2.157 4.316 -15.997 1.00 21.22 N ATOM 9 CA ALA A 2 -2.365 3.321 -14.953 1.00 14.43 C ATOM 10 C ALA A 2 -1.211 2.312 -15.007 1.00 63.33 C ATOM 11 O ALA A 2 -0.648 2.063 -16.074 1.00 13.33 O ATOM 12 CB ALA A 2 -3.708 2.605 -15.174 1.00 20.21 C ATOM 0 H ALA A 2 -2.822 4.267 -16.769 1.00 21.22 H new ATOM 0 HA ALA A 2 -2.389 3.802 -13.975 1.00 14.43 H new ATOM 0 HB1 ALA A 2 -3.858 1.862 -14.390 1.00 20.21 H new ATOM 0 HB2 ALA A 2 -4.518 3.334 -15.143 1.00 20.21 H new ATOM 0 HB3 ALA A 2 -3.701 2.111 -16.146 1.00 20.21 H new ATOM 18 N MET A 3 -0.891 1.724 -13.866 1.00 65.21 N ATOM 19 CA MET A 3 0.156 0.705 -13.762 1.00 30.21 C ATOM 20 C MET A 3 -0.164 -0.114 -12.517 1.00 15.14 C ATOM 21 O MET A 3 -0.847 0.382 -11.627 1.00 22.12 O ATOM 22 CB MET A 3 1.545 1.356 -13.652 1.00 2.31 C ATOM 23 CG MET A 3 1.737 2.219 -12.398 1.00 52.52 C ATOM 24 SD MET A 3 3.264 3.191 -12.473 1.00 31.03 S ATOM 25 CE MET A 3 2.765 4.551 -13.545 1.00 54.13 C ATOM 0 H MET A 3 -1.348 1.936 -12.979 1.00 65.21 H new ATOM 0 HA MET A 3 0.179 0.073 -14.650 1.00 30.21 H new ATOM 0 HB2 MET A 3 2.303 0.573 -13.660 1.00 2.31 H new ATOM 0 HB3 MET A 3 1.716 1.973 -14.534 1.00 2.31 H new ATOM 0 HG2 MET A 3 0.885 2.890 -12.285 1.00 52.52 H new ATOM 0 HG3 MET A 3 1.757 1.578 -11.516 1.00 52.52 H new ATOM 0 HE1 MET A 3 3.585 4.804 -14.218 1.00 54.13 H new ATOM 0 HE2 MET A 3 1.895 4.253 -14.130 1.00 54.13 H new ATOM 0 HE3 MET A 3 2.513 5.420 -12.937 1.00 54.13 H new ATOM 35 N ALA A 4 0.282 -1.363 -12.476 1.00 62.33 N ATOM 36 CA ALA A 4 -0.002 -2.243 -11.337 1.00 24.40 C ATOM 37 C ALA A 4 1.025 -2.049 -10.214 1.00 11.23 C ATOM 38 O ALA A 4 0.716 -2.200 -9.038 1.00 23.43 O ATOM 39 CB ALA A 4 -0.002 -3.704 -11.806 1.00 31.44 C ATOM 0 H ALA A 4 0.840 -1.793 -13.213 1.00 62.33 H new ATOM 0 HA ALA A 4 -0.984 -1.986 -10.939 1.00 24.40 H new ATOM 0 HB1 ALA A 4 -0.213 -4.358 -10.960 1.00 31.44 H new ATOM 0 HB2 ALA A 4 -0.767 -3.841 -12.570 1.00 31.44 H new ATOM 0 HB3 ALA A 4 0.974 -3.953 -12.222 1.00 31.44 H new ATOM 45 N LYS A 5 2.260 -1.762 -10.611 1.00 21.32 N ATOM 46 CA LYS A 5 3.373 -1.577 -9.674 1.00 22.42 C ATOM 47 C LYS A 5 4.199 -0.387 -10.126 1.00 25.31 C ATOM 48 O LYS A 5 4.098 0.014 -11.279 1.00 32.15 O ATOM 49 CB LYS A 5 4.272 -2.825 -9.634 1.00 74.40 C ATOM 50 CG LYS A 5 3.581 -4.072 -9.076 1.00 52.24 C ATOM 51 CD LYS A 5 4.604 -5.142 -8.725 1.00 73.33 C ATOM 52 CE LYS A 5 3.921 -6.409 -8.210 1.00 15.53 C ATOM 53 NZ LYS A 5 3.235 -7.159 -9.314 1.00 42.10 N ATOM 0 H LYS A 5 2.522 -1.650 -11.590 1.00 21.32 H new ATOM 0 HA LYS A 5 2.968 -1.409 -8.676 1.00 22.42 H new ATOM 0 HB2 LYS A 5 4.625 -3.038 -10.643 1.00 74.40 H new ATOM 0 HB3 LYS A 5 5.151 -2.607 -9.028 1.00 74.40 H new ATOM 0 HG2 LYS A 5 3.004 -3.808 -8.189 1.00 52.24 H new ATOM 0 HG3 LYS A 5 2.876 -4.463 -9.810 1.00 52.24 H new ATOM 0 HD2 LYS A 5 5.202 -5.380 -9.604 1.00 73.33 H new ATOM 0 HD3 LYS A 5 5.288 -4.760 -7.967 1.00 73.33 H new ATOM 0 HE2 LYS A 5 4.661 -7.054 -7.737 1.00 15.53 H new ATOM 0 HE3 LYS A 5 3.193 -6.144 -7.443 1.00 15.53 H new ATOM 0 HZ1 LYS A 5 2.632 -7.902 -8.906 1.00 42.10 H new ATOM 0 HZ2 LYS A 5 2.649 -6.502 -9.868 1.00 42.10 H new ATOM 0 HZ3 LYS A 5 3.948 -7.593 -9.934 1.00 42.10 H new ATOM 67 N ALA A 6 5.029 0.116 -9.237 1.00 21.42 N ATOM 68 CA ALA A 6 5.955 1.204 -9.524 1.00 52.20 C ATOM 69 C ALA A 6 7.279 0.746 -8.908 1.00 33.23 C ATOM 70 O ALA A 6 7.253 -0.127 -8.045 1.00 33.24 O ATOM 71 CB ALA A 6 5.453 2.516 -8.872 1.00 23.21 C ATOM 0 H ALA A 6 5.084 -0.222 -8.276 1.00 21.42 H new ATOM 0 HA ALA A 6 6.054 1.411 -10.590 1.00 52.20 H new ATOM 0 HB1 ALA A 6 6.152 3.323 -9.093 1.00 23.21 H new ATOM 0 HB2 ALA A 6 4.471 2.768 -9.271 1.00 23.21 H new ATOM 0 HB3 ALA A 6 5.382 2.382 -7.793 1.00 23.21 H new ATOM 77 N PRO A 7 8.425 1.303 -9.333 1.00 22.52 N ATOM 78 CA PRO A 7 9.657 0.808 -8.704 1.00 74.43 C ATOM 79 C PRO A 7 9.784 1.195 -7.240 1.00 12.11 C ATOM 80 O PRO A 7 9.349 2.267 -6.820 1.00 3.15 O ATOM 81 CB PRO A 7 10.756 1.478 -9.526 1.00 12.43 C ATOM 82 CG PRO A 7 10.144 2.725 -10.024 1.00 74.24 C ATOM 83 CD PRO A 7 8.723 2.334 -10.352 1.00 30.45 C ATOM 0 HA PRO A 7 9.694 -0.281 -8.701 1.00 74.43 H new ATOM 0 HB2 PRO A 7 11.636 1.685 -8.917 1.00 12.43 H new ATOM 0 HB3 PRO A 7 11.080 0.840 -10.348 1.00 12.43 H new ATOM 0 HG2 PRO A 7 10.177 3.513 -9.272 1.00 74.24 H new ATOM 0 HG3 PRO A 7 10.667 3.102 -10.903 1.00 74.24 H new ATOM 0 HD2 PRO A 7 8.043 3.183 -10.280 1.00 30.45 H new ATOM 0 HD3 PRO A 7 8.635 1.940 -11.364 1.00 30.45 H new ATOM 91 N GLU A 8 10.420 0.322 -6.472 1.00 21.15 N ATOM 92 CA GLU A 8 10.691 0.576 -5.057 1.00 21.53 C ATOM 93 C GLU A 8 12.178 0.881 -4.896 1.00 23.42 C ATOM 94 O GLU A 8 12.575 1.765 -4.137 1.00 51.24 O ATOM 95 CB GLU A 8 10.314 -0.648 -4.216 1.00 62.21 C ATOM 96 CG GLU A 8 8.833 -1.032 -4.296 1.00 14.42 C ATOM 97 CD GLU A 8 8.480 -2.209 -3.387 1.00 11.31 C ATOM 98 OE1 GLU A 8 8.257 -1.974 -2.178 1.00 62.35 O ATOM 99 OE2 GLU A 8 8.430 -3.364 -3.872 1.00 53.15 O ATOM 0 H GLU A 8 10.763 -0.579 -6.806 1.00 21.15 H new ATOM 0 HA GLU A 8 10.096 1.423 -4.714 1.00 21.53 H new ATOM 0 HB2 GLU A 8 10.916 -1.497 -4.540 1.00 62.21 H new ATOM 0 HB3 GLU A 8 10.572 -0.453 -3.175 1.00 62.21 H new ATOM 0 HG2 GLU A 8 8.223 -0.171 -4.022 1.00 14.42 H new ATOM 0 HG3 GLU A 8 8.583 -1.286 -5.326 1.00 14.42 H new ATOM 106 N SER A 9 13.006 0.170 -5.652 1.00 72.53 N ATOM 107 CA SER A 9 14.439 0.413 -5.691 1.00 3.12 C ATOM 108 C SER A 9 14.799 1.296 -6.886 1.00 42.12 C ATOM 109 O SER A 9 14.334 1.094 -8.005 1.00 63.52 O ATOM 110 CB SER A 9 15.192 -0.911 -5.793 1.00 12.43 C ATOM 111 OG SER A 9 16.587 -0.698 -5.919 1.00 23.54 O ATOM 0 H SER A 9 12.700 -0.593 -6.256 1.00 72.53 H new ATOM 0 HA SER A 9 14.726 0.924 -4.772 1.00 3.12 H new ATOM 0 HB2 SER A 9 14.992 -1.515 -4.908 1.00 12.43 H new ATOM 0 HB3 SER A 9 14.828 -1.474 -6.652 1.00 12.43 H new ATOM 0 HG SER A 9 17.046 -1.562 -5.981 1.00 23.54 H new ATOM 117 N ALA A 10 15.688 2.252 -6.661 1.00 13.12 N ATOM 118 CA ALA A 10 16.151 3.145 -7.731 1.00 54.21 C ATOM 119 C ALA A 10 16.896 2.389 -8.834 1.00 51.25 C ATOM 120 O ALA A 10 17.032 2.889 -9.955 1.00 13.12 O ATOM 121 CB ALA A 10 17.039 4.229 -7.149 1.00 43.44 C ATOM 0 H ALA A 10 16.108 2.435 -5.750 1.00 13.12 H new ATOM 0 HA ALA A 10 15.270 3.596 -8.187 1.00 54.21 H new ATOM 0 HB1 ALA A 10 17.379 4.888 -7.948 1.00 43.44 H new ATOM 0 HB2 ALA A 10 16.475 4.807 -6.417 1.00 43.44 H new ATOM 0 HB3 ALA A 10 17.901 3.772 -6.664 1.00 43.44 H new ATOM 127 N THR A 11 17.411 1.209 -8.524 1.00 71.21 N ATOM 128 CA THR A 11 18.169 0.411 -9.494 1.00 73.23 C ATOM 129 C THR A 11 17.253 -0.165 -10.581 1.00 23.30 C ATOM 130 O THR A 11 17.704 -0.456 -11.678 1.00 44.13 O ATOM 131 CB THR A 11 18.893 -0.754 -8.811 1.00 23.33 C ATOM 132 OG1 THR A 11 19.240 -0.360 -7.484 1.00 3.11 O ATOM 133 CG2 THR A 11 20.167 -1.115 -9.554 1.00 74.32 C ATOM 0 H THR A 11 17.321 0.775 -7.605 1.00 71.21 H new ATOM 0 HA THR A 11 18.898 1.084 -9.946 1.00 73.23 H new ATOM 0 HB THR A 11 18.232 -1.620 -8.805 1.00 23.33 H new ATOM 0 HG1 THR A 11 18.499 -0.567 -6.877 1.00 3.11 H new ATOM 0 HG21 THR A 11 20.661 -1.945 -9.048 1.00 74.32 H new ATOM 0 HG22 THR A 11 19.922 -1.407 -10.575 1.00 74.32 H new ATOM 0 HG23 THR A 11 20.834 -0.253 -9.573 1.00 74.32 H new ATOM 141 N GLU A 12 15.968 -0.328 -10.266 1.00 2.21 N ATOM 142 CA GLU A 12 15.030 -0.930 -11.206 1.00 14.44 C ATOM 143 C GLU A 12 14.951 -0.130 -12.508 1.00 70.40 C ATOM 144 O GLU A 12 14.767 -0.724 -13.585 1.00 64.23 O ATOM 145 CB GLU A 12 13.655 -0.980 -10.603 1.00 44.34 C ATOM 146 CG GLU A 12 13.596 -1.864 -9.387 1.00 0.23 C ATOM 147 CD GLU A 12 12.230 -1.903 -8.755 1.00 61.13 C ATOM 148 OE1 GLU A 12 11.249 -2.115 -9.475 1.00 40.23 O ATOM 149 OE2 GLU A 12 12.131 -1.702 -7.522 1.00 52.44 O ATOM 0 H GLU A 12 15.558 -0.053 -9.374 1.00 2.21 H new ATOM 0 HA GLU A 12 15.391 -1.935 -11.424 1.00 14.44 H new ATOM 0 HB2 GLU A 12 13.343 0.029 -10.332 1.00 44.34 H new ATOM 0 HB3 GLU A 12 12.947 -1.343 -11.348 1.00 44.34 H new ATOM 0 HG2 GLU A 12 13.891 -2.876 -9.665 1.00 0.23 H new ATOM 0 HG3 GLU A 12 14.320 -1.512 -8.653 1.00 0.23 H new ATOM 156 N LYS A 13 15.188 1.160 -12.427 1.00 40.41 N ATOM 157 CA LYS A 13 15.171 2.011 -13.639 1.00 21.12 C ATOM 158 C LYS A 13 16.281 1.659 -14.615 1.00 55.10 C ATOM 159 O LYS A 13 16.113 1.797 -15.816 1.00 64.25 O ATOM 160 CB LYS A 13 15.242 3.485 -13.221 1.00 42.02 C ATOM 161 CG LYS A 13 16.655 4.023 -13.013 1.00 44.33 C ATOM 162 CD LYS A 13 16.625 5.336 -12.252 1.00 30.44 C ATOM 163 CE LYS A 13 18.021 5.915 -12.061 1.00 63.20 C ATOM 164 NZ LYS A 13 18.889 5.000 -11.237 1.00 53.30 N ATOM 0 H LYS A 13 15.394 1.655 -11.559 1.00 40.41 H new ATOM 0 HA LYS A 13 14.237 1.828 -14.170 1.00 21.12 H new ATOM 0 HB2 LYS A 13 14.747 4.088 -13.982 1.00 42.02 H new ATOM 0 HB3 LYS A 13 14.679 3.614 -12.296 1.00 42.02 H new ATOM 0 HG2 LYS A 13 17.250 3.293 -12.464 1.00 44.33 H new ATOM 0 HG3 LYS A 13 17.140 4.168 -13.979 1.00 44.33 H new ATOM 0 HD2 LYS A 13 16.005 6.053 -12.790 1.00 30.44 H new ATOM 0 HD3 LYS A 13 16.160 5.181 -11.278 1.00 30.44 H new ATOM 0 HE2 LYS A 13 18.484 6.079 -13.034 1.00 63.20 H new ATOM 0 HE3 LYS A 13 17.949 6.887 -11.574 1.00 63.20 H new ATOM 0 HZ1 LYS A 13 19.364 5.549 -10.493 1.00 53.30 H new ATOM 0 HZ2 LYS A 13 18.300 4.263 -10.800 1.00 53.30 H new ATOM 0 HZ3 LYS A 13 19.603 4.556 -11.848 1.00 53.30 H new ATOM 178 N VAL A 14 17.425 1.228 -14.112 1.00 73.25 N ATOM 179 CA VAL A 14 18.553 0.910 -14.977 1.00 15.35 C ATOM 180 C VAL A 14 18.285 -0.444 -15.630 1.00 14.54 C ATOM 181 O VAL A 14 18.604 -0.659 -16.785 1.00 62.43 O ATOM 182 CB VAL A 14 19.947 0.957 -14.234 1.00 30.01 C ATOM 183 CG1 VAL A 14 19.955 2.003 -13.110 1.00 41.05 C ATOM 184 CG2 VAL A 14 20.363 -0.384 -13.636 1.00 23.30 C ATOM 0 H VAL A 14 17.599 1.090 -13.116 1.00 73.25 H new ATOM 0 HA VAL A 14 18.635 1.680 -15.744 1.00 15.35 H new ATOM 0 HB VAL A 14 20.664 1.227 -15.010 1.00 30.01 H new ATOM 0 HG11 VAL A 14 20.930 2.006 -12.623 1.00 41.05 H new ATOM 0 HG12 VAL A 14 19.756 2.989 -13.529 1.00 41.05 H new ATOM 0 HG13 VAL A 14 19.185 1.758 -12.379 1.00 41.05 H new ATOM 0 HG21 VAL A 14 21.329 -0.278 -13.142 1.00 23.30 H new ATOM 0 HG22 VAL A 14 19.617 -0.706 -12.909 1.00 23.30 H new ATOM 0 HG23 VAL A 14 20.441 -1.128 -14.429 1.00 23.30 H new ATOM 194 N LEU A 15 17.645 -1.330 -14.878 1.00 55.35 N ATOM 195 CA LEU A 15 17.355 -2.660 -15.353 1.00 34.04 C ATOM 196 C LEU A 15 16.285 -2.558 -16.434 1.00 34.35 C ATOM 197 O LEU A 15 16.476 -3.114 -17.514 1.00 70.41 O ATOM 198 CB LEU A 15 16.895 -3.544 -14.189 1.00 12.05 C ATOM 199 CG LEU A 15 17.990 -3.784 -13.150 1.00 13.40 C ATOM 200 CD1 LEU A 15 17.343 -4.110 -11.841 1.00 73.22 C ATOM 201 CD2 LEU A 15 18.881 -4.911 -13.568 1.00 21.23 C ATOM 0 H LEU A 15 17.318 -1.141 -13.930 1.00 55.35 H new ATOM 0 HA LEU A 15 18.248 -3.120 -15.777 1.00 34.04 H new ATOM 0 HB2 LEU A 15 16.037 -3.078 -13.704 1.00 12.05 H new ATOM 0 HB3 LEU A 15 16.557 -4.504 -14.581 1.00 12.05 H new ATOM 0 HG LEU A 15 18.601 -2.886 -13.057 1.00 13.40 H new ATOM 0 HD11 LEU A 15 18.112 -4.284 -11.088 1.00 73.22 H new ATOM 0 HD12 LEU A 15 16.712 -3.277 -11.529 1.00 73.22 H new ATOM 0 HD13 LEU A 15 16.733 -5.006 -11.950 1.00 73.22 H new ATOM 0 HD21 LEU A 15 19.653 -5.064 -12.814 1.00 21.23 H new ATOM 0 HD22 LEU A 15 18.291 -5.821 -13.673 1.00 21.23 H new ATOM 0 HD23 LEU A 15 19.349 -4.670 -14.522 1.00 21.23 H new ATOM 213 N CYS A 16 15.186 -1.864 -16.169 1.00 54.31 N ATOM 214 CA CYS A 16 14.219 -1.590 -17.197 1.00 34.34 C ATOM 215 C CYS A 16 14.836 -1.009 -18.445 1.00 0.34 C ATOM 216 O CYS A 16 14.385 -1.337 -19.565 1.00 51.22 O ATOM 217 CB CYS A 16 13.146 -0.608 -16.636 1.00 11.44 C ATOM 218 SG CYS A 16 12.214 -1.267 -15.288 1.00 44.41 S ATOM 0 H CYS A 16 14.952 -1.486 -15.251 1.00 54.31 H new ATOM 0 HA CYS A 16 13.766 -2.540 -17.482 1.00 34.34 H new ATOM 0 HB2 CYS A 16 13.639 0.308 -16.311 1.00 11.44 H new ATOM 0 HB3 CYS A 16 12.462 -0.334 -17.439 1.00 11.44 H new ATOM 0 HG CYS A 16 12.941 -1.254 -14.210 1.00 44.41 H new ATOM 224 N ALA A 17 15.763 -0.062 -18.309 1.00 51.33 N ATOM 225 CA ALA A 17 16.385 0.499 -19.525 1.00 14.03 C ATOM 226 C ALA A 17 17.154 -0.522 -20.324 1.00 50.42 C ATOM 227 O ALA A 17 16.982 -0.658 -21.493 1.00 13.15 O ATOM 228 CB ALA A 17 17.329 1.692 -19.126 1.00 12.33 C ATOM 0 H ALA A 17 16.092 0.322 -17.423 1.00 51.33 H new ATOM 0 HA ALA A 17 15.577 0.849 -20.167 1.00 14.03 H new ATOM 0 HB1 ALA A 17 17.789 2.107 -20.023 1.00 12.33 H new ATOM 0 HB2 ALA A 17 16.746 2.465 -18.626 1.00 12.33 H new ATOM 0 HB3 ALA A 17 18.107 1.331 -18.453 1.00 12.33 H new ATOM 234 N LEU A 18 17.946 -1.307 -19.640 1.00 75.22 N ATOM 235 CA LEU A 18 18.710 -2.354 -20.285 1.00 45.52 C ATOM 236 C LEU A 18 17.799 -3.447 -20.890 1.00 32.12 C ATOM 237 O LEU A 18 18.088 -4.019 -21.948 1.00 12.21 O ATOM 238 CB LEU A 18 19.638 -3.054 -19.245 1.00 72.31 C ATOM 239 CG LEU A 18 21.117 -2.616 -19.150 1.00 13.22 C ATOM 240 CD1 LEU A 18 21.705 -2.158 -20.474 1.00 70.23 C ATOM 241 CD2 LEU A 18 21.311 -1.517 -18.098 1.00 43.33 C ATOM 0 H LEU A 18 18.082 -1.244 -18.631 1.00 75.22 H new ATOM 0 HA LEU A 18 19.285 -1.878 -21.079 1.00 45.52 H new ATOM 0 HB2 LEU A 18 19.190 -2.919 -18.260 1.00 72.31 H new ATOM 0 HB3 LEU A 18 19.624 -4.123 -19.458 1.00 72.31 H new ATOM 0 HG LEU A 18 21.658 -3.513 -18.849 1.00 13.22 H new ATOM 0 HD11 LEU A 18 22.745 -1.866 -20.329 1.00 70.23 H new ATOM 0 HD12 LEU A 18 21.654 -2.973 -21.196 1.00 70.23 H new ATOM 0 HD13 LEU A 18 21.138 -1.306 -20.848 1.00 70.23 H new ATOM 0 HD21 LEU A 18 22.363 -1.233 -18.058 1.00 43.33 H new ATOM 0 HD22 LEU A 18 20.710 -0.648 -18.365 1.00 43.33 H new ATOM 0 HD23 LEU A 18 20.998 -1.888 -17.122 1.00 43.33 H new ATOM 253 N TYR A 19 16.661 -3.707 -20.265 1.00 13.34 N ATOM 254 CA TYR A 19 15.712 -4.696 -20.773 1.00 31.15 C ATOM 255 C TYR A 19 15.166 -4.184 -22.100 1.00 61.55 C ATOM 256 O TYR A 19 15.125 -4.919 -23.077 1.00 31.20 O ATOM 257 CB TYR A 19 14.529 -4.909 -19.808 1.00 44.54 C ATOM 258 CG TYR A 19 14.734 -5.942 -18.708 1.00 20.40 C ATOM 259 CD1 TYR A 19 15.969 -6.078 -18.032 1.00 62.20 C ATOM 260 CD2 TYR A 19 13.662 -6.777 -18.321 1.00 21.24 C ATOM 261 CE1 TYR A 19 16.122 -7.021 -16.988 1.00 75.13 C ATOM 262 CE2 TYR A 19 13.820 -7.732 -17.279 1.00 3.50 C ATOM 263 CZ TYR A 19 15.053 -7.844 -16.627 1.00 13.24 C ATOM 264 OH TYR A 19 15.221 -8.761 -15.625 1.00 12.43 O ATOM 0 H TYR A 19 16.368 -3.248 -19.403 1.00 13.34 H new ATOM 0 HA TYR A 19 16.231 -5.648 -20.885 1.00 31.15 H new ATOM 0 HB2 TYR A 19 14.293 -3.953 -19.340 1.00 44.54 H new ATOM 0 HB3 TYR A 19 13.658 -5.201 -20.394 1.00 44.54 H new ATOM 0 HD1 TYR A 19 16.804 -5.455 -18.316 1.00 62.20 H new ATOM 0 HD2 TYR A 19 12.710 -6.689 -18.823 1.00 21.24 H new ATOM 0 HE1 TYR A 19 17.066 -7.104 -16.470 1.00 75.13 H new ATOM 0 HE2 TYR A 19 12.994 -8.366 -16.993 1.00 3.50 H new ATOM 0 HH TYR A 19 14.486 -9.409 -15.648 1.00 12.43 H new ATOM 274 N ALA A 20 14.728 -2.929 -22.125 1.00 61.40 N ATOM 275 CA ALA A 20 14.100 -2.367 -23.322 1.00 0.22 C ATOM 276 C ALA A 20 15.067 -2.257 -24.486 1.00 62.11 C ATOM 277 O ALA A 20 14.695 -2.524 -25.619 1.00 44.43 O ATOM 278 CB ALA A 20 13.506 -0.983 -22.993 1.00 1.04 C ATOM 0 H ALA A 20 14.794 -2.284 -21.338 1.00 61.40 H new ATOM 0 HA ALA A 20 13.307 -3.049 -23.629 1.00 0.22 H new ATOM 0 HB1 ALA A 20 13.039 -0.566 -23.885 1.00 1.04 H new ATOM 0 HB2 ALA A 20 12.759 -1.086 -22.206 1.00 1.04 H new ATOM 0 HB3 ALA A 20 14.300 -0.317 -22.654 1.00 1.04 H new ATOM 284 N GLU A 21 16.313 -1.907 -24.199 1.00 3.41 N ATOM 285 CA GLU A 21 17.343 -1.775 -25.238 1.00 42.02 C ATOM 286 C GLU A 21 17.580 -3.099 -25.951 1.00 54.15 C ATOM 287 O GLU A 21 17.777 -3.145 -27.162 1.00 32.23 O ATOM 288 CB GLU A 21 18.659 -1.339 -24.593 1.00 32.14 C ATOM 289 CG GLU A 21 18.739 0.155 -24.246 1.00 20.42 C ATOM 290 CD GLU A 21 19.091 1.022 -25.454 1.00 23.34 C ATOM 291 OE1 GLU A 21 20.118 0.726 -26.109 1.00 50.34 O ATOM 292 OE2 GLU A 21 18.368 2.006 -25.719 1.00 40.21 O ATOM 0 H GLU A 21 16.643 -1.707 -23.255 1.00 3.41 H new ATOM 0 HA GLU A 21 16.998 -1.036 -25.962 1.00 42.02 H new ATOM 0 HB2 GLU A 21 18.811 -1.918 -23.682 1.00 32.14 H new ATOM 0 HB3 GLU A 21 19.478 -1.586 -25.268 1.00 32.14 H new ATOM 0 HG2 GLU A 21 17.783 0.481 -23.836 1.00 20.42 H new ATOM 0 HG3 GLU A 21 19.487 0.304 -23.467 1.00 20.42 H new ATOM 299 N ILE A 22 17.584 -4.182 -25.190 1.00 2.11 N ATOM 300 CA ILE A 22 17.873 -5.506 -25.739 1.00 20.54 C ATOM 301 C ILE A 22 16.654 -6.126 -26.427 1.00 14.31 C ATOM 302 O ILE A 22 16.788 -6.818 -27.440 1.00 2.41 O ATOM 303 CB ILE A 22 18.401 -6.437 -24.602 1.00 75.22 C ATOM 304 CG1 ILE A 22 19.760 -5.895 -24.095 1.00 61.04 C ATOM 305 CG2 ILE A 22 18.560 -7.897 -25.084 1.00 70.45 C ATOM 306 CD1 ILE A 22 20.300 -6.596 -22.873 1.00 23.11 C ATOM 0 H ILE A 22 17.391 -4.175 -24.189 1.00 2.11 H new ATOM 0 HA ILE A 22 18.641 -5.394 -26.505 1.00 20.54 H new ATOM 0 HB ILE A 22 17.671 -6.439 -23.792 1.00 75.22 H new ATOM 0 HG12 ILE A 22 20.492 -5.978 -24.898 1.00 61.04 H new ATOM 0 HG13 ILE A 22 19.652 -4.834 -23.871 1.00 61.04 H new ATOM 0 HG21 ILE A 22 18.929 -8.513 -24.264 1.00 70.45 H new ATOM 0 HG22 ILE A 22 17.594 -8.277 -25.417 1.00 70.45 H new ATOM 0 HG23 ILE A 22 19.269 -7.932 -25.911 1.00 70.45 H new ATOM 0 HD11 ILE A 22 21.254 -6.151 -22.590 1.00 23.11 H new ATOM 0 HD12 ILE A 22 19.592 -6.491 -22.051 1.00 23.11 H new ATOM 0 HD13 ILE A 22 20.445 -7.653 -23.094 1.00 23.11 H new ATOM 318 N LEU A 23 15.469 -5.887 -25.888 1.00 2.33 N ATOM 319 CA LEU A 23 14.250 -6.453 -26.467 1.00 43.24 C ATOM 320 C LEU A 23 13.679 -5.594 -27.595 1.00 3.34 C ATOM 321 O LEU A 23 12.886 -6.084 -28.392 1.00 55.43 O ATOM 322 CB LEU A 23 13.186 -6.645 -25.379 1.00 11.23 C ATOM 323 CG LEU A 23 13.169 -7.966 -24.587 1.00 0.25 C ATOM 324 CD1 LEU A 23 12.732 -9.101 -25.502 1.00 40.35 C ATOM 325 CD2 LEU A 23 14.492 -8.319 -23.918 1.00 31.34 C ATOM 0 H LEU A 23 15.320 -5.312 -25.059 1.00 2.33 H new ATOM 0 HA LEU A 23 14.524 -7.417 -26.896 1.00 43.24 H new ATOM 0 HB2 LEU A 23 13.295 -5.831 -24.662 1.00 11.23 H new ATOM 0 HB3 LEU A 23 12.209 -6.528 -25.848 1.00 11.23 H new ATOM 0 HG LEU A 23 12.457 -7.822 -23.774 1.00 0.25 H new ATOM 0 HD11 LEU A 23 12.720 -10.036 -24.942 1.00 40.35 H new ATOM 0 HD12 LEU A 23 11.733 -8.895 -25.886 1.00 40.35 H new ATOM 0 HD13 LEU A 23 13.430 -9.186 -26.335 1.00 40.35 H new ATOM 0 HD21 LEU A 23 14.389 -9.263 -23.383 1.00 31.34 H new ATOM 0 HD22 LEU A 23 15.269 -8.415 -24.676 1.00 31.34 H new ATOM 0 HD23 LEU A 23 14.766 -7.532 -23.215 1.00 31.34 H new ATOM 337 N GLY A 24 14.090 -4.335 -27.664 1.00 62.00 N ATOM 338 CA GLY A 24 13.618 -3.444 -28.721 1.00 23.33 C ATOM 339 C GLY A 24 12.194 -2.961 -28.531 1.00 32.23 C ATOM 340 O GLY A 24 11.449 -2.831 -29.497 1.00 11.30 O ATOM 0 H GLY A 24 14.744 -3.908 -27.008 1.00 62.00 H new ATOM 0 HA2 GLY A 24 14.280 -2.579 -28.775 1.00 23.33 H new ATOM 0 HA3 GLY A 24 13.690 -3.962 -29.678 1.00 23.33 H new ATOM 344 N VAL A 25 11.804 -2.712 -27.287 1.00 44.40 N ATOM 345 CA VAL A 25 10.425 -2.299 -26.987 1.00 43.52 C ATOM 346 C VAL A 25 10.313 -0.802 -26.688 1.00 74.24 C ATOM 347 O VAL A 25 11.263 -0.165 -26.232 1.00 33.21 O ATOM 348 CB VAL A 25 9.826 -3.104 -25.795 1.00 60.14 C ATOM 349 CG1 VAL A 25 9.948 -4.601 -26.057 1.00 34.22 C ATOM 350 CG2 VAL A 25 10.534 -2.791 -24.482 1.00 63.20 C ATOM 0 H VAL A 25 12.412 -2.786 -26.471 1.00 44.40 H new ATOM 0 HA VAL A 25 9.852 -2.514 -27.889 1.00 43.52 H new ATOM 0 HB VAL A 25 8.779 -2.811 -25.710 1.00 60.14 H new ATOM 0 HG11 VAL A 25 9.526 -5.153 -25.217 1.00 34.22 H new ATOM 0 HG12 VAL A 25 9.406 -4.856 -26.968 1.00 34.22 H new ATOM 0 HG13 VAL A 25 10.999 -4.865 -26.174 1.00 34.22 H new ATOM 0 HG21 VAL A 25 10.084 -3.374 -23.678 1.00 63.20 H new ATOM 0 HG22 VAL A 25 11.590 -3.046 -24.568 1.00 63.20 H new ATOM 0 HG23 VAL A 25 10.434 -1.729 -24.259 1.00 63.20 H new ATOM 360 N GLU A 26 9.134 -0.244 -26.929 1.00 74.43 N ATOM 361 CA GLU A 26 8.883 1.186 -26.677 1.00 23.51 C ATOM 362 C GLU A 26 8.831 1.506 -25.180 1.00 74.02 C ATOM 363 O GLU A 26 9.100 2.630 -24.772 1.00 61.12 O ATOM 364 CB GLU A 26 7.542 1.611 -27.282 1.00 31.42 C ATOM 365 CG GLU A 26 7.430 1.448 -28.783 1.00 72.00 C ATOM 366 CD GLU A 26 6.155 2.107 -29.312 1.00 24.32 C ATOM 367 OE1 GLU A 26 5.074 1.877 -28.713 1.00 23.55 O ATOM 368 OE2 GLU A 26 6.240 2.898 -30.276 1.00 24.31 O ATOM 0 H GLU A 26 8.331 -0.752 -27.299 1.00 74.43 H new ATOM 0 HA GLU A 26 9.710 1.727 -27.137 1.00 23.51 H new ATOM 0 HB2 GLU A 26 6.749 1.031 -26.810 1.00 31.42 H new ATOM 0 HB3 GLU A 26 7.364 2.657 -27.032 1.00 31.42 H new ATOM 0 HG2 GLU A 26 8.300 1.891 -29.267 1.00 72.00 H new ATOM 0 HG3 GLU A 26 7.429 0.388 -29.038 1.00 72.00 H new ATOM 375 N ARG A 27 8.420 0.524 -24.387 1.00 23.03 N ATOM 376 CA ARG A 27 8.251 0.691 -22.944 1.00 71.24 C ATOM 377 C ARG A 27 8.280 -0.670 -22.283 1.00 21.12 C ATOM 378 O ARG A 27 7.893 -1.650 -22.895 1.00 25.10 O ATOM 379 CB ARG A 27 6.890 1.323 -22.660 1.00 21.40 C ATOM 380 CG ARG A 27 6.966 2.759 -22.170 1.00 12.14 C ATOM 381 CD ARG A 27 5.582 3.406 -22.094 1.00 22.14 C ATOM 382 NE ARG A 27 4.907 3.385 -23.407 1.00 41.21 N ATOM 383 CZ ARG A 27 5.162 4.202 -24.421 1.00 43.43 C ATOM 384 NH1 ARG A 27 6.042 5.169 -24.349 1.00 75.14 N ATOM 385 NH2 ARG A 27 4.522 4.032 -25.545 1.00 2.14 N ATOM 0 H ARG A 27 8.194 -0.412 -24.724 1.00 23.03 H new ATOM 0 HA ARG A 27 9.050 1.325 -22.559 1.00 71.24 H new ATOM 0 HB2 ARG A 27 6.289 1.291 -23.569 1.00 21.40 H new ATOM 0 HB3 ARG A 27 6.370 0.722 -21.914 1.00 21.40 H new ATOM 0 HG2 ARG A 27 7.433 2.783 -21.186 1.00 12.14 H new ATOM 0 HG3 ARG A 27 7.602 3.338 -22.839 1.00 12.14 H new ATOM 0 HD2 ARG A 27 4.972 2.879 -21.361 1.00 22.14 H new ATOM 0 HD3 ARG A 27 5.678 4.435 -21.748 1.00 22.14 H new ATOM 0 HE ARG A 27 4.182 2.681 -23.547 1.00 41.21 H new ATOM 0 HH11 ARG A 27 6.565 5.319 -23.487 1.00 75.14 H new ATOM 0 HH12 ARG A 27 6.204 5.772 -25.155 1.00 75.14 H new ATOM 0 HH21 ARG A 27 3.838 3.280 -25.634 1.00 2.14 H new ATOM 0 HH22 ARG A 27 4.705 4.651 -26.335 1.00 2.14 H new ATOM 399 N VAL A 28 8.691 -0.702 -21.026 1.00 31.21 N ATOM 400 CA VAL A 28 8.698 -1.925 -20.232 1.00 11.13 C ATOM 401 C VAL A 28 8.433 -1.483 -18.791 1.00 63.24 C ATOM 402 O VAL A 28 8.747 -0.339 -18.427 1.00 2.31 O ATOM 403 CB VAL A 28 10.070 -2.682 -20.378 1.00 14.33 C ATOM 404 CG1 VAL A 28 11.222 -1.878 -19.778 1.00 4.15 C ATOM 405 CG2 VAL A 28 10.021 -4.067 -19.766 1.00 12.33 C ATOM 0 H VAL A 28 9.030 0.119 -20.525 1.00 31.21 H new ATOM 0 HA VAL A 28 7.939 -2.633 -20.565 1.00 11.13 H new ATOM 0 HB VAL A 28 10.250 -2.794 -21.447 1.00 14.33 H new ATOM 0 HG11 VAL A 28 12.153 -2.432 -19.897 1.00 4.15 H new ATOM 0 HG12 VAL A 28 11.302 -0.919 -20.290 1.00 4.15 H new ATOM 0 HG13 VAL A 28 11.034 -1.708 -18.718 1.00 4.15 H new ATOM 0 HG21 VAL A 28 10.988 -4.554 -19.889 1.00 12.33 H new ATOM 0 HG22 VAL A 28 9.787 -3.988 -18.704 1.00 12.33 H new ATOM 0 HG23 VAL A 28 9.252 -4.658 -20.264 1.00 12.33 H new ATOM 415 N GLY A 29 7.828 -2.345 -17.997 1.00 75.34 N ATOM 416 CA GLY A 29 7.554 -2.044 -16.604 1.00 4.10 C ATOM 417 C GLY A 29 8.442 -2.882 -15.715 1.00 1.33 C ATOM 418 O GLY A 29 9.123 -3.791 -16.179 1.00 1.00 O ATOM 0 H GLY A 29 7.514 -3.268 -18.296 1.00 75.34 H new ATOM 0 HA2 GLY A 29 7.726 -0.985 -16.411 1.00 4.10 H new ATOM 0 HA3 GLY A 29 6.506 -2.243 -16.379 1.00 4.10 H new ATOM 422 N VAL A 30 8.414 -2.603 -14.421 1.00 41.04 N ATOM 423 CA VAL A 30 9.228 -3.355 -13.459 1.00 24.12 C ATOM 424 C VAL A 30 8.645 -4.725 -13.138 1.00 44.23 C ATOM 425 O VAL A 30 9.261 -5.524 -12.431 1.00 73.31 O ATOM 426 CB VAL A 30 9.381 -2.560 -12.137 1.00 15.12 C ATOM 427 CG1 VAL A 30 10.084 -1.256 -12.398 1.00 42.35 C ATOM 428 CG2 VAL A 30 8.000 -2.288 -11.471 1.00 4.15 C ATOM 0 H VAL A 30 7.842 -1.867 -14.007 1.00 41.04 H new ATOM 0 HA VAL A 30 10.199 -3.501 -13.932 1.00 24.12 H new ATOM 0 HB VAL A 30 9.974 -3.165 -11.452 1.00 15.12 H new ATOM 0 HG11 VAL A 30 10.187 -0.705 -11.463 1.00 42.35 H new ATOM 0 HG12 VAL A 30 11.072 -1.452 -12.814 1.00 42.35 H new ATOM 0 HG13 VAL A 30 9.503 -0.665 -13.106 1.00 42.35 H new ATOM 0 HG21 VAL A 30 8.146 -1.729 -10.547 1.00 4.15 H new ATOM 0 HG22 VAL A 30 7.376 -1.709 -12.151 1.00 4.15 H new ATOM 0 HG23 VAL A 30 7.510 -3.236 -11.248 1.00 4.15 H new ATOM 438 N ASP A 31 7.451 -4.968 -13.652 1.00 52.42 N ATOM 439 CA ASP A 31 6.707 -6.207 -13.411 1.00 32.44 C ATOM 440 C ASP A 31 6.864 -7.169 -14.578 1.00 43.32 C ATOM 441 O ASP A 31 6.453 -8.313 -14.504 1.00 30.01 O ATOM 442 CB ASP A 31 5.229 -5.851 -13.238 1.00 74.20 C ATOM 443 CG ASP A 31 4.517 -6.708 -12.194 1.00 61.42 C ATOM 444 OD1 ASP A 31 5.172 -7.388 -11.375 1.00 73.44 O ATOM 445 OD2 ASP A 31 3.279 -6.542 -12.080 1.00 44.12 O ATOM 0 H ASP A 31 6.960 -4.308 -14.255 1.00 52.42 H new ATOM 0 HA ASP A 31 7.095 -6.694 -12.516 1.00 32.44 H new ATOM 0 HB2 ASP A 31 5.146 -4.802 -12.954 1.00 74.20 H new ATOM 0 HB3 ASP A 31 4.722 -5.962 -14.196 1.00 74.20 H new ATOM 450 N ASP A 32 7.437 -6.689 -15.667 1.00 12.20 N ATOM 451 CA ASP A 32 7.621 -7.512 -16.878 1.00 25.33 C ATOM 452 C ASP A 32 8.788 -8.454 -16.678 1.00 22.40 C ATOM 453 O ASP A 32 9.911 -8.013 -16.384 1.00 2.14 O ATOM 454 CB ASP A 32 7.932 -6.648 -18.102 1.00 75.55 C ATOM 455 CG ASP A 32 6.705 -5.966 -18.659 1.00 4.12 C ATOM 456 OD1 ASP A 32 5.742 -6.664 -19.025 1.00 61.25 O ATOM 457 OD2 ASP A 32 6.723 -4.724 -18.778 1.00 55.24 O ATOM 0 H ASP A 32 7.787 -5.735 -15.751 1.00 12.20 H new ATOM 0 HA ASP A 32 6.693 -8.058 -17.045 1.00 25.33 H new ATOM 0 HB2 ASP A 32 8.671 -5.894 -17.831 1.00 75.55 H new ATOM 0 HB3 ASP A 32 8.380 -7.270 -18.877 1.00 75.55 H new ATOM 462 N ALA A 33 8.550 -9.744 -16.844 1.00 53.31 N ATOM 463 CA ALA A 33 9.619 -10.698 -16.758 1.00 35.40 C ATOM 464 C ALA A 33 10.340 -10.698 -18.091 1.00 41.13 C ATOM 465 O ALA A 33 9.724 -10.555 -19.130 1.00 74.13 O ATOM 466 CB ALA A 33 9.051 -12.058 -16.435 1.00 51.00 C ATOM 0 H ALA A 33 7.631 -10.143 -17.037 1.00 53.31 H new ATOM 0 HA ALA A 33 10.323 -10.440 -15.967 1.00 35.40 H new ATOM 0 HB1 ALA A 33 9.861 -12.784 -16.369 1.00 51.00 H new ATOM 0 HB2 ALA A 33 8.524 -12.015 -15.482 1.00 51.00 H new ATOM 0 HB3 ALA A 33 8.357 -12.358 -17.220 1.00 51.00 H new ATOM 472 N PHE A 34 11.634 -10.968 -18.063 1.00 45.33 N ATOM 473 CA PHE A 34 12.423 -11.086 -19.288 1.00 54.34 C ATOM 474 C PHE A 34 11.828 -12.183 -20.190 1.00 24.04 C ATOM 475 O PHE A 34 11.920 -12.134 -21.411 1.00 10.41 O ATOM 476 CB PHE A 34 13.869 -11.411 -18.914 1.00 1.51 C ATOM 477 CG PHE A 34 14.868 -11.071 -19.986 1.00 33.15 C ATOM 478 CD1 PHE A 34 15.386 -9.766 -20.072 1.00 20.53 C ATOM 479 CD2 PHE A 34 15.303 -12.043 -20.905 1.00 70.45 C ATOM 480 CE1 PHE A 34 16.344 -9.430 -21.062 1.00 14.21 C ATOM 481 CE2 PHE A 34 16.263 -11.721 -21.904 1.00 22.13 C ATOM 482 CZ PHE A 34 16.786 -10.405 -21.969 1.00 22.45 C ATOM 0 H PHE A 34 12.166 -11.111 -17.205 1.00 45.33 H new ATOM 0 HA PHE A 34 12.401 -10.147 -19.841 1.00 54.34 H new ATOM 0 HB2 PHE A 34 14.129 -10.870 -18.004 1.00 1.51 H new ATOM 0 HB3 PHE A 34 13.944 -12.474 -18.685 1.00 1.51 H new ATOM 0 HD1 PHE A 34 15.050 -9.011 -19.376 1.00 20.53 H new ATOM 0 HD2 PHE A 34 14.904 -13.045 -20.851 1.00 70.45 H new ATOM 0 HE1 PHE A 34 16.733 -8.424 -21.118 1.00 14.21 H new ATOM 0 HE2 PHE A 34 16.591 -12.473 -22.607 1.00 22.13 H new ATOM 0 HZ PHE A 34 17.524 -10.153 -22.716 1.00 22.45 H new ATOM 492 N HIS A 35 11.190 -13.159 -19.559 1.00 1.44 N ATOM 493 CA HIS A 35 10.538 -14.255 -20.268 1.00 74.33 C ATOM 494 C HIS A 35 9.228 -13.814 -20.936 1.00 65.41 C ATOM 495 O HIS A 35 8.915 -14.248 -22.041 1.00 4.02 O ATOM 496 CB HIS A 35 10.229 -15.386 -19.290 1.00 23.11 C ATOM 497 CG HIS A 35 11.429 -15.875 -18.533 1.00 24.01 C ATOM 498 ND1 HIS A 35 11.379 -16.428 -17.279 1.00 34.11 N ATOM 499 CD2 HIS A 35 12.749 -15.896 -18.871 1.00 32.32 C ATOM 500 CE1 HIS A 35 12.617 -16.740 -16.903 1.00 53.22 C ATOM 501 NE2 HIS A 35 13.494 -16.437 -17.836 1.00 11.43 N ATOM 0 H HIS A 35 11.109 -13.215 -18.544 1.00 1.44 H new ATOM 0 HA HIS A 35 11.224 -14.590 -21.046 1.00 74.33 H new ATOM 0 HB2 HIS A 35 9.477 -15.044 -18.579 1.00 23.11 H new ATOM 0 HB3 HIS A 35 9.793 -16.220 -19.839 1.00 23.11 H new ATOM 0 HD2 HIS A 35 13.154 -15.543 -19.808 1.00 32.32 H new ATOM 0 HE1 HIS A 35 12.870 -17.186 -15.952 1.00 53.22 H new ATOM 0 HE2 HIS A 35 14.505 -16.571 -17.804 1.00 11.43 H new ATOM 509 N ASP A 36 8.476 -12.953 -20.259 1.00 72.30 N ATOM 510 CA ASP A 36 7.166 -12.494 -20.749 1.00 21.12 C ATOM 511 C ASP A 36 7.347 -11.636 -21.987 1.00 11.12 C ATOM 512 O ASP A 36 6.518 -11.622 -22.888 1.00 62.11 O ATOM 513 CB ASP A 36 6.448 -11.649 -19.684 1.00 45.25 C ATOM 514 CG ASP A 36 6.100 -12.436 -18.435 1.00 44.10 C ATOM 515 OD1 ASP A 36 6.137 -13.688 -18.457 1.00 22.30 O ATOM 516 OD2 ASP A 36 5.914 -11.785 -17.386 1.00 54.22 O ATOM 0 H ASP A 36 8.748 -12.552 -19.361 1.00 72.30 H new ATOM 0 HA ASP A 36 6.570 -13.377 -20.979 1.00 21.12 H new ATOM 0 HB2 ASP A 36 7.082 -10.806 -19.410 1.00 45.25 H new ATOM 0 HB3 ASP A 36 5.535 -11.236 -20.112 1.00 45.25 H new ATOM 521 N LEU A 37 8.479 -10.949 -22.032 1.00 40.31 N ATOM 522 CA LEU A 37 8.839 -10.098 -23.167 1.00 41.11 C ATOM 523 C LEU A 37 9.287 -10.917 -24.378 1.00 60.13 C ATOM 524 O LEU A 37 9.646 -10.364 -25.410 1.00 2.24 O ATOM 525 CB LEU A 37 9.988 -9.163 -22.754 1.00 31.44 C ATOM 526 CG LEU A 37 9.664 -8.137 -21.653 1.00 51.23 C ATOM 527 CD1 LEU A 37 10.954 -7.538 -21.092 1.00 62.54 C ATOM 528 CD2 LEU A 37 8.769 -7.035 -22.199 1.00 11.14 C ATOM 0 H LEU A 37 9.175 -10.963 -21.287 1.00 40.31 H new ATOM 0 HA LEU A 37 7.952 -9.530 -23.448 1.00 41.11 H new ATOM 0 HB2 LEU A 37 10.824 -9.775 -22.417 1.00 31.44 H new ATOM 0 HB3 LEU A 37 10.325 -8.622 -23.638 1.00 31.44 H new ATOM 0 HG LEU A 37 9.135 -8.648 -20.849 1.00 51.23 H new ATOM 0 HD11 LEU A 37 10.711 -6.814 -20.314 1.00 62.54 H new ATOM 0 HD12 LEU A 37 11.570 -8.332 -20.669 1.00 62.54 H new ATOM 0 HD13 LEU A 37 11.502 -7.041 -21.892 1.00 62.54 H new ATOM 0 HD21 LEU A 37 8.550 -6.318 -21.407 1.00 11.14 H new ATOM 0 HD22 LEU A 37 9.277 -6.526 -23.018 1.00 11.14 H new ATOM 0 HD23 LEU A 37 7.838 -7.469 -22.563 1.00 11.14 H new ATOM 540 N GLY A 38 9.291 -12.239 -24.250 1.00 15.50 N ATOM 541 CA GLY A 38 9.718 -13.095 -25.340 1.00 43.52 C ATOM 542 C GLY A 38 11.227 -13.149 -25.488 1.00 72.30 C ATOM 543 O GLY A 38 11.756 -13.439 -26.561 1.00 60.13 O ATOM 0 H GLY A 38 9.004 -12.735 -23.406 1.00 15.50 H new ATOM 0 HA2 GLY A 38 9.337 -14.103 -25.175 1.00 43.52 H new ATOM 0 HA3 GLY A 38 9.279 -12.737 -26.271 1.00 43.52 H new ATOM 547 N GLY A 39 11.937 -12.884 -24.396 1.00 11.23 N ATOM 548 CA GLY A 39 13.386 -12.924 -24.421 1.00 73.44 C ATOM 549 C GLY A 39 13.959 -14.321 -24.610 1.00 70.20 C ATOM 550 O GLY A 39 13.276 -15.342 -24.537 1.00 3.21 O ATOM 0 H GLY A 39 11.532 -12.642 -23.492 1.00 11.23 H new ATOM 0 HA2 GLY A 39 13.744 -12.283 -25.226 1.00 73.44 H new ATOM 0 HA3 GLY A 39 13.768 -12.508 -23.489 1.00 73.44 H new ATOM 554 N SER A 40 15.259 -14.347 -24.828 1.00 44.00 N ATOM 555 CA SER A 40 16.001 -15.607 -25.017 1.00 0.53 C ATOM 556 C SER A 40 16.989 -15.832 -23.892 1.00 24.44 C ATOM 557 O SER A 40 17.438 -14.890 -23.278 1.00 53.35 O ATOM 558 CB SER A 40 16.751 -15.551 -26.353 1.00 71.30 C ATOM 559 OG SER A 40 17.013 -16.811 -26.884 1.00 3.14 O ATOM 0 H SER A 40 15.839 -13.510 -24.881 1.00 44.00 H new ATOM 0 HA SER A 40 15.290 -16.433 -25.017 1.00 0.53 H new ATOM 0 HB2 SER A 40 16.164 -14.976 -27.069 1.00 71.30 H new ATOM 0 HB3 SER A 40 17.692 -15.019 -26.213 1.00 71.30 H new ATOM 0 HG SER A 40 17.490 -16.715 -27.735 1.00 3.14 H new ATOM 565 N SER A 41 17.444 -17.075 -23.747 1.00 22.10 N ATOM 566 CA SER A 41 18.597 -17.343 -22.892 1.00 23.03 C ATOM 567 C SER A 41 19.840 -16.636 -23.494 1.00 75.01 C ATOM 568 O SER A 41 20.699 -16.162 -22.762 1.00 2.51 O ATOM 569 CB SER A 41 18.853 -18.847 -22.814 1.00 43.34 C ATOM 570 OG SER A 41 18.976 -19.371 -24.127 1.00 4.22 O ATOM 0 H SER A 41 17.042 -17.896 -24.200 1.00 22.10 H new ATOM 0 HA SER A 41 18.402 -16.967 -21.888 1.00 23.03 H new ATOM 0 HB2 SER A 41 19.762 -19.044 -22.245 1.00 43.34 H new ATOM 0 HB3 SER A 41 18.035 -19.340 -22.289 1.00 43.34 H new ATOM 0 HG SER A 41 19.142 -20.336 -24.080 1.00 4.22 H new ATOM 576 N ALA A 42 19.931 -16.532 -24.823 1.00 34.24 N ATOM 577 CA ALA A 42 21.068 -15.848 -25.469 1.00 53.14 C ATOM 578 C ALA A 42 21.033 -14.357 -25.108 1.00 15.53 C ATOM 579 O ALA A 42 22.031 -13.759 -24.728 1.00 13.23 O ATOM 580 CB ALA A 42 21.009 -16.037 -27.006 1.00 34.04 C ATOM 0 H ALA A 42 19.240 -16.907 -25.473 1.00 34.24 H new ATOM 0 HA ALA A 42 22.002 -16.282 -25.111 1.00 53.14 H new ATOM 0 HB1 ALA A 42 21.854 -15.527 -27.468 1.00 34.04 H new ATOM 0 HB2 ALA A 42 21.053 -17.100 -27.244 1.00 34.04 H new ATOM 0 HB3 ALA A 42 20.079 -15.617 -27.389 1.00 34.04 H new ATOM 586 N LEU A 43 19.852 -13.768 -25.202 1.00 32.40 N ATOM 587 CA LEU A 43 19.675 -12.335 -24.877 1.00 30.43 C ATOM 588 C LEU A 43 19.929 -12.161 -23.383 1.00 4.30 C ATOM 589 O LEU A 43 20.555 -11.154 -22.945 1.00 15.32 O ATOM 590 CB LEU A 43 18.270 -11.864 -25.235 1.00 24.53 C ATOM 591 CG LEU A 43 18.035 -11.293 -26.640 1.00 32.41 C ATOM 592 CD1 LEU A 43 18.320 -12.303 -27.781 1.00 61.33 C ATOM 593 CD2 LEU A 43 16.565 -10.834 -26.770 1.00 55.12 C ATOM 0 H LEU A 43 18.999 -14.243 -25.497 1.00 32.40 H new ATOM 0 HA LEU A 43 20.376 -11.734 -25.456 1.00 30.43 H new ATOM 0 HB2 LEU A 43 17.591 -12.706 -25.100 1.00 24.53 H new ATOM 0 HB3 LEU A 43 17.980 -11.101 -24.512 1.00 24.53 H new ATOM 0 HG LEU A 43 18.735 -10.465 -26.749 1.00 32.41 H new ATOM 0 HD11 LEU A 43 18.132 -11.827 -28.743 1.00 61.33 H new ATOM 0 HD12 LEU A 43 19.361 -12.623 -27.732 1.00 61.33 H new ATOM 0 HD13 LEU A 43 17.668 -13.170 -27.671 1.00 61.33 H new ATOM 0 HD21 LEU A 43 16.397 -10.428 -27.768 1.00 55.12 H new ATOM 0 HD22 LEU A 43 15.903 -11.684 -26.608 1.00 55.12 H new ATOM 0 HD23 LEU A 43 16.357 -10.065 -26.026 1.00 55.12 H new ATOM 605 N ALA A 44 19.472 -13.119 -22.584 1.00 42.34 N ATOM 606 CA ALA A 44 19.629 -13.063 -21.129 1.00 44.03 C ATOM 607 C ALA A 44 21.120 -13.046 -20.744 1.00 32.12 C ATOM 608 O ALA A 44 21.524 -12.358 -19.811 1.00 21.41 O ATOM 609 CB ALA A 44 18.891 -14.221 -20.457 1.00 61.41 C ATOM 0 H ALA A 44 18.986 -13.951 -22.919 1.00 42.34 H new ATOM 0 HA ALA A 44 19.182 -12.136 -20.770 1.00 44.03 H new ATOM 0 HB1 ALA A 44 19.022 -14.158 -19.377 1.00 61.41 H new ATOM 0 HB2 ALA A 44 17.829 -14.164 -20.698 1.00 61.41 H new ATOM 0 HB3 ALA A 44 19.295 -15.167 -20.817 1.00 61.41 H new ATOM 615 N MET A 45 21.956 -13.748 -21.479 1.00 41.32 N ATOM 616 CA MET A 45 23.403 -13.699 -21.225 1.00 12.50 C ATOM 617 C MET A 45 24.012 -12.350 -21.609 1.00 40.41 C ATOM 618 O MET A 45 24.914 -11.847 -20.935 1.00 3.42 O ATOM 619 CB MET A 45 24.145 -14.798 -22.001 1.00 35.30 C ATOM 620 CG MET A 45 23.841 -16.224 -21.554 1.00 64.12 C ATOM 621 SD MET A 45 24.462 -16.560 -19.904 1.00 64.01 S ATOM 622 CE MET A 45 24.070 -18.323 -19.744 1.00 4.11 C ATOM 0 H MET A 45 21.676 -14.355 -22.250 1.00 41.32 H new ATOM 0 HA MET A 45 23.522 -13.853 -20.153 1.00 12.50 H new ATOM 0 HB2 MET A 45 23.897 -14.705 -23.058 1.00 35.30 H new ATOM 0 HB3 MET A 45 25.217 -14.626 -21.908 1.00 35.30 H new ATOM 0 HG2 MET A 45 22.764 -16.389 -21.576 1.00 64.12 H new ATOM 0 HG3 MET A 45 24.285 -16.927 -22.258 1.00 64.12 H new ATOM 0 HE1 MET A 45 24.396 -18.681 -18.767 1.00 4.11 H new ATOM 0 HE2 MET A 45 22.994 -18.467 -19.843 1.00 4.11 H new ATOM 0 HE3 MET A 45 24.584 -18.882 -20.526 1.00 4.11 H new ATOM 632 N ARG A 46 23.511 -11.760 -22.685 1.00 3.43 N ATOM 633 CA ARG A 46 23.992 -10.447 -23.123 1.00 52.41 C ATOM 634 C ARG A 46 23.575 -9.375 -22.116 1.00 75.13 C ATOM 635 O ARG A 46 24.299 -8.407 -21.919 1.00 72.34 O ATOM 636 CB ARG A 46 23.439 -10.087 -24.509 1.00 13.42 C ATOM 637 CG ARG A 46 23.908 -10.990 -25.660 1.00 24.55 C ATOM 638 CD ARG A 46 25.416 -10.890 -25.902 1.00 74.24 C ATOM 639 NE ARG A 46 25.820 -11.643 -27.110 1.00 52.22 N ATOM 640 CZ ARG A 46 27.076 -11.821 -27.524 1.00 34.02 C ATOM 641 NH1 ARG A 46 28.102 -11.337 -26.870 1.00 52.25 N ATOM 642 NH2 ARG A 46 27.292 -12.499 -28.615 1.00 32.13 N ATOM 0 H ARG A 46 22.778 -12.161 -23.270 1.00 3.43 H new ATOM 0 HA ARG A 46 25.079 -10.492 -23.185 1.00 52.41 H new ATOM 0 HB2 ARG A 46 22.350 -10.117 -24.466 1.00 13.42 H new ATOM 0 HB3 ARG A 46 23.720 -9.059 -24.738 1.00 13.42 H new ATOM 0 HG2 ARG A 46 23.646 -12.024 -25.437 1.00 24.55 H new ATOM 0 HG3 ARG A 46 23.377 -10.717 -26.572 1.00 24.55 H new ATOM 0 HD2 ARG A 46 25.700 -9.843 -26.012 1.00 74.24 H new ATOM 0 HD3 ARG A 46 25.952 -11.276 -25.035 1.00 74.24 H new ATOM 0 HE ARG A 46 25.078 -12.060 -27.672 1.00 52.22 H new ATOM 0 HH11 ARG A 46 27.955 -10.803 -26.013 1.00 52.25 H new ATOM 0 HH12 ARG A 46 29.048 -11.494 -27.217 1.00 52.25 H new ATOM 0 HH21 ARG A 46 26.507 -12.885 -29.139 1.00 32.13 H new ATOM 0 HH22 ARG A 46 28.246 -12.644 -28.945 1.00 32.13 H new ATOM 656 N LEU A 47 22.434 -9.567 -21.467 1.00 24.12 N ATOM 657 CA LEU A 47 21.949 -8.638 -20.449 1.00 14.41 C ATOM 658 C LEU A 47 22.962 -8.482 -19.322 1.00 14.42 C ATOM 659 O LEU A 47 23.222 -7.373 -18.872 1.00 35.32 O ATOM 660 CB LEU A 47 20.627 -9.156 -19.880 1.00 43.31 C ATOM 661 CG LEU A 47 19.996 -8.354 -18.741 1.00 4.32 C ATOM 662 CD1 LEU A 47 19.546 -6.969 -19.153 1.00 31.25 C ATOM 663 CD2 LEU A 47 18.823 -9.146 -18.233 1.00 61.33 C ATOM 0 H LEU A 47 21.820 -10.365 -21.628 1.00 24.12 H new ATOM 0 HA LEU A 47 21.801 -7.663 -20.913 1.00 14.41 H new ATOM 0 HB2 LEU A 47 19.906 -9.210 -20.696 1.00 43.31 H new ATOM 0 HB3 LEU A 47 20.787 -10.175 -19.528 1.00 43.31 H new ATOM 0 HG LEU A 47 20.751 -8.200 -17.970 1.00 4.32 H new ATOM 0 HD11 LEU A 47 19.109 -6.458 -18.295 1.00 31.25 H new ATOM 0 HD12 LEU A 47 20.403 -6.401 -19.515 1.00 31.25 H new ATOM 0 HD13 LEU A 47 18.802 -7.049 -19.946 1.00 31.25 H new ATOM 0 HD21 LEU A 47 18.345 -8.605 -17.417 1.00 61.33 H new ATOM 0 HD22 LEU A 47 18.106 -9.293 -19.041 1.00 61.33 H new ATOM 0 HD23 LEU A 47 19.167 -10.116 -17.873 1.00 61.33 H new ATOM 675 N ILE A 48 23.552 -9.584 -18.883 1.00 51.01 N ATOM 676 CA ILE A 48 24.520 -9.540 -17.789 1.00 53.03 C ATOM 677 C ILE A 48 25.717 -8.680 -18.198 1.00 53.42 C ATOM 678 O ILE A 48 26.177 -7.832 -17.433 1.00 64.40 O ATOM 679 CB ILE A 48 25.035 -10.964 -17.385 1.00 45.12 C ATOM 680 CG1 ILE A 48 23.858 -11.968 -17.333 1.00 53.12 C ATOM 681 CG2 ILE A 48 25.789 -10.894 -16.027 1.00 1.54 C ATOM 682 CD1 ILE A 48 24.245 -13.372 -16.859 1.00 40.43 C ATOM 0 H ILE A 48 23.381 -10.515 -19.262 1.00 51.01 H new ATOM 0 HA ILE A 48 24.009 -9.112 -16.926 1.00 53.03 H new ATOM 0 HB ILE A 48 25.737 -11.319 -18.140 1.00 45.12 H new ATOM 0 HG12 ILE A 48 23.088 -11.573 -16.670 1.00 53.12 H new ATOM 0 HG13 ILE A 48 23.415 -12.042 -18.326 1.00 53.12 H new ATOM 0 HG21 ILE A 48 26.143 -11.889 -15.755 1.00 1.54 H new ATOM 0 HG22 ILE A 48 26.640 -10.219 -16.118 1.00 1.54 H new ATOM 0 HG23 ILE A 48 25.114 -10.526 -15.255 1.00 1.54 H new ATOM 0 HD11 ILE A 48 23.361 -14.010 -16.853 1.00 40.43 H new ATOM 0 HD12 ILE A 48 24.991 -13.791 -17.534 1.00 40.43 H new ATOM 0 HD13 ILE A 48 24.659 -13.315 -15.852 1.00 40.43 H new ATOM 694 N ALA A 49 26.194 -8.888 -19.416 1.00 40.42 N ATOM 695 CA ALA A 49 27.328 -8.141 -19.930 1.00 74.03 C ATOM 696 C ALA A 49 27.012 -6.647 -20.053 1.00 32.33 C ATOM 697 O ALA A 49 27.818 -5.806 -19.691 1.00 55.40 O ATOM 698 CB ALA A 49 27.739 -8.716 -21.290 1.00 5.02 C ATOM 0 H ALA A 49 25.810 -9.572 -20.068 1.00 40.42 H new ATOM 0 HA ALA A 49 28.154 -8.239 -19.225 1.00 74.03 H new ATOM 0 HB1 ALA A 49 28.590 -8.157 -21.679 1.00 5.02 H new ATOM 0 HB2 ALA A 49 28.015 -9.764 -21.173 1.00 5.02 H new ATOM 0 HB3 ALA A 49 26.904 -8.636 -21.986 1.00 5.02 H new ATOM 704 N ARG A 50 25.822 -6.311 -20.539 1.00 73.33 N ATOM 705 CA ARG A 50 25.461 -4.904 -20.699 1.00 63.15 C ATOM 706 C ARG A 50 25.371 -4.207 -19.340 1.00 10.50 C ATOM 707 O ARG A 50 25.861 -3.107 -19.179 1.00 12.40 O ATOM 708 CB ARG A 50 24.122 -4.761 -21.434 1.00 45.21 C ATOM 709 CG ARG A 50 24.192 -5.090 -22.922 1.00 54.55 C ATOM 710 CD ARG A 50 24.724 -3.921 -23.785 1.00 33.13 C ATOM 711 NE ARG A 50 23.718 -2.862 -24.025 1.00 50.43 N ATOM 712 CZ ARG A 50 23.791 -1.603 -23.584 1.00 23.04 C ATOM 713 NH1 ARG A 50 24.780 -1.173 -22.840 1.00 65.02 N ATOM 714 NH2 ARG A 50 22.848 -0.761 -23.910 1.00 3.04 N ATOM 0 H ARG A 50 25.103 -6.976 -20.824 1.00 73.33 H new ATOM 0 HA ARG A 50 26.244 -4.431 -21.292 1.00 63.15 H new ATOM 0 HB2 ARG A 50 23.389 -5.415 -20.962 1.00 45.21 H new ATOM 0 HB3 ARG A 50 23.761 -3.739 -21.315 1.00 45.21 H new ATOM 0 HG2 ARG A 50 24.834 -5.959 -23.065 1.00 54.55 H new ATOM 0 HG3 ARG A 50 23.198 -5.368 -23.272 1.00 54.55 H new ATOM 0 HD2 ARG A 50 25.592 -3.482 -23.293 1.00 33.13 H new ATOM 0 HD3 ARG A 50 25.064 -4.312 -24.744 1.00 33.13 H new ATOM 0 HE ARG A 50 22.897 -3.116 -24.575 1.00 50.43 H new ATOM 0 HH11 ARG A 50 25.533 -1.808 -22.576 1.00 65.02 H new ATOM 0 HH12 ARG A 50 24.797 -0.203 -22.525 1.00 65.02 H new ATOM 0 HH21 ARG A 50 22.070 -1.068 -24.494 1.00 3.04 H new ATOM 0 HH22 ARG A 50 22.890 0.204 -23.581 1.00 3.04 H new ATOM 728 N ILE A 51 24.809 -4.889 -18.350 1.00 34.23 N ATOM 729 CA ILE A 51 24.750 -4.338 -16.993 1.00 53.34 C ATOM 730 C ILE A 51 26.166 -4.158 -16.457 1.00 12.15 C ATOM 731 O ILE A 51 26.456 -3.181 -15.770 1.00 14.45 O ATOM 732 CB ILE A 51 23.918 -5.261 -16.033 1.00 70.44 C ATOM 733 CG1 ILE A 51 22.432 -5.283 -16.456 1.00 23.52 C ATOM 734 CG2 ILE A 51 24.014 -4.769 -14.572 1.00 52.43 C ATOM 735 CD1 ILE A 51 21.608 -6.404 -15.824 1.00 4.12 C ATOM 0 H ILE A 51 24.391 -5.814 -18.454 1.00 34.23 H new ATOM 0 HA ILE A 51 24.248 -3.371 -17.035 1.00 53.34 H new ATOM 0 HB ILE A 51 24.334 -6.266 -16.101 1.00 70.44 H new ATOM 0 HG12 ILE A 51 21.979 -4.326 -16.196 1.00 23.52 H new ATOM 0 HG13 ILE A 51 22.378 -5.377 -17.541 1.00 23.52 H new ATOM 0 HG21 ILE A 51 23.429 -5.425 -13.928 1.00 52.43 H new ATOM 0 HG22 ILE A 51 25.056 -4.781 -14.252 1.00 52.43 H new ATOM 0 HG23 ILE A 51 23.625 -3.753 -14.504 1.00 52.43 H new ATOM 0 HD11 ILE A 51 20.579 -6.342 -16.177 1.00 4.12 H new ATOM 0 HD12 ILE A 51 22.031 -7.369 -16.104 1.00 4.12 H new ATOM 0 HD13 ILE A 51 21.626 -6.302 -14.739 1.00 4.12 H new ATOM 747 N ARG A 52 27.063 -5.078 -16.776 1.00 32.42 N ATOM 748 CA ARG A 52 28.453 -4.979 -16.289 1.00 11.11 C ATOM 749 C ARG A 52 29.196 -3.767 -16.844 1.00 2.53 C ATOM 750 O ARG A 52 30.061 -3.237 -16.165 1.00 3.32 O ATOM 751 CB ARG A 52 29.234 -6.264 -16.602 1.00 31.11 C ATOM 752 CG ARG A 52 29.678 -7.022 -15.346 1.00 12.50 C ATOM 753 CD ARG A 52 31.152 -6.810 -14.997 1.00 13.53 C ATOM 754 NE ARG A 52 31.574 -5.408 -15.131 1.00 13.13 N ATOM 755 CZ ARG A 52 32.700 -4.891 -14.662 1.00 61.22 C ATOM 756 NH1 ARG A 52 33.561 -5.593 -13.964 1.00 10.24 N ATOM 757 NH2 ARG A 52 32.958 -3.639 -14.910 1.00 24.11 N ATOM 0 H ARG A 52 26.871 -5.893 -17.359 1.00 32.42 H new ATOM 0 HA ARG A 52 28.388 -4.847 -15.209 1.00 11.11 H new ATOM 0 HB2 ARG A 52 28.613 -6.919 -17.213 1.00 31.11 H new ATOM 0 HB3 ARG A 52 30.113 -6.012 -17.196 1.00 31.11 H new ATOM 0 HG2 ARG A 52 29.064 -6.705 -14.503 1.00 12.50 H new ATOM 0 HG3 ARG A 52 29.496 -8.087 -15.490 1.00 12.50 H new ATOM 0 HD2 ARG A 52 31.330 -7.142 -13.974 1.00 13.53 H new ATOM 0 HD3 ARG A 52 31.767 -7.433 -15.646 1.00 13.53 H new ATOM 0 HE ARG A 52 30.945 -4.778 -15.629 1.00 13.13 H new ATOM 0 HH11 ARG A 52 33.375 -6.576 -13.764 1.00 10.24 H new ATOM 0 HH12 ARG A 52 34.417 -5.156 -13.621 1.00 10.24 H new ATOM 0 HH21 ARG A 52 32.300 -3.081 -15.454 1.00 24.11 H new ATOM 0 HH22 ARG A 52 33.818 -3.217 -14.560 1.00 24.11 H new ATOM 771 N GLU A 53 28.858 -3.318 -18.034 1.00 42.41 N ATOM 772 CA GLU A 53 29.493 -2.117 -18.571 1.00 21.31 C ATOM 773 C GLU A 53 28.939 -0.860 -17.898 1.00 5.42 C ATOM 774 O GLU A 53 29.680 0.052 -17.536 1.00 12.12 O ATOM 775 CB GLU A 53 29.275 -2.001 -20.082 1.00 73.32 C ATOM 776 CG GLU A 53 29.893 -3.147 -20.880 1.00 50.23 C ATOM 777 CD GLU A 53 31.373 -3.338 -20.575 1.00 2.42 C ATOM 778 OE1 GLU A 53 32.155 -2.397 -20.803 1.00 71.22 O ATOM 779 OE2 GLU A 53 31.749 -4.434 -20.081 1.00 13.05 O ATOM 0 H GLU A 53 28.163 -3.750 -18.643 1.00 42.41 H new ATOM 0 HA GLU A 53 30.560 -2.203 -18.367 1.00 21.31 H new ATOM 0 HB2 GLU A 53 28.205 -1.965 -20.284 1.00 73.32 H new ATOM 0 HB3 GLU A 53 29.697 -1.058 -20.430 1.00 73.32 H new ATOM 0 HG2 GLU A 53 29.358 -4.070 -20.658 1.00 50.23 H new ATOM 0 HG3 GLU A 53 29.767 -2.953 -21.945 1.00 50.23 H new ATOM 786 N GLU A 54 27.624 -0.806 -17.757 1.00 52.22 N ATOM 787 CA GLU A 54 26.938 0.394 -17.239 1.00 11.01 C ATOM 788 C GLU A 54 27.040 0.574 -15.717 1.00 21.42 C ATOM 789 O GLU A 54 27.199 1.683 -15.225 1.00 24.15 O ATOM 790 CB GLU A 54 25.452 0.320 -17.624 1.00 44.22 C ATOM 791 CG GLU A 54 25.130 0.122 -19.113 1.00 31.40 C ATOM 792 CD GLU A 54 25.395 1.330 -20.001 1.00 11.41 C ATOM 793 OE1 GLU A 54 25.314 2.482 -19.513 1.00 72.23 O ATOM 794 OE2 GLU A 54 25.582 1.122 -21.222 1.00 42.21 O ATOM 0 H GLU A 54 26.998 -1.576 -17.992 1.00 52.22 H new ATOM 0 HA GLU A 54 27.440 1.251 -17.688 1.00 11.01 H new ATOM 0 HB2 GLU A 54 24.997 -0.499 -17.067 1.00 44.22 H new ATOM 0 HB3 GLU A 54 24.969 1.239 -17.291 1.00 44.22 H new ATOM 0 HG2 GLU A 54 25.716 -0.718 -19.486 1.00 31.40 H new ATOM 0 HG3 GLU A 54 24.080 -0.155 -19.207 1.00 31.40 H new ATOM 801 N LEU A 55 26.872 -0.521 -14.978 1.00 51.13 N ATOM 802 CA LEU A 55 26.802 -0.470 -13.519 1.00 3.23 C ATOM 803 C LEU A 55 27.983 -1.181 -12.833 1.00 1.32 C ATOM 804 O LEU A 55 28.188 -1.041 -11.633 1.00 14.13 O ATOM 805 CB LEU A 55 25.513 -1.144 -13.053 1.00 60.32 C ATOM 806 CG LEU A 55 24.250 -0.288 -12.905 1.00 33.52 C ATOM 807 CD1 LEU A 55 24.366 0.648 -11.692 1.00 65.20 C ATOM 808 CD2 LEU A 55 23.900 0.535 -14.140 1.00 62.41 C ATOM 0 H LEU A 55 26.781 -1.459 -15.368 1.00 51.13 H new ATOM 0 HA LEU A 55 26.835 0.583 -13.241 1.00 3.23 H new ATOM 0 HB2 LEU A 55 25.288 -1.948 -13.754 1.00 60.32 H new ATOM 0 HB3 LEU A 55 25.713 -1.609 -12.088 1.00 60.32 H new ATOM 0 HG LEU A 55 23.439 -1.003 -12.763 1.00 33.52 H new ATOM 0 HD11 LEU A 55 23.459 1.246 -11.606 1.00 65.20 H new ATOM 0 HD12 LEU A 55 24.497 0.056 -10.787 1.00 65.20 H new ATOM 0 HD13 LEU A 55 25.224 1.307 -11.822 1.00 65.20 H new ATOM 0 HD21 LEU A 55 22.994 1.110 -13.949 1.00 62.41 H new ATOM 0 HD22 LEU A 55 24.720 1.215 -14.368 1.00 62.41 H new ATOM 0 HD23 LEU A 55 23.735 -0.131 -14.987 1.00 62.41 H new ATOM 820 N GLY A 56 28.729 -1.962 -13.602 1.00 41.11 N ATOM 821 CA GLY A 56 29.880 -2.672 -13.061 1.00 10.35 C ATOM 822 C GLY A 56 29.568 -3.906 -12.223 1.00 22.03 C ATOM 823 O GLY A 56 30.428 -4.364 -11.476 1.00 53.41 O ATOM 0 H GLY A 56 28.560 -2.120 -14.595 1.00 41.11 H new ATOM 0 HA2 GLY A 56 30.520 -2.973 -13.891 1.00 10.35 H new ATOM 0 HA3 GLY A 56 30.456 -1.978 -12.449 1.00 10.35 H new ATOM 827 N VAL A 57 28.354 -4.446 -12.333 1.00 5.31 N ATOM 828 CA VAL A 57 27.946 -5.537 -11.451 1.00 1.03 C ATOM 829 C VAL A 57 27.449 -6.787 -12.194 1.00 2.30 C ATOM 830 O VAL A 57 26.904 -6.712 -13.307 1.00 44.40 O ATOM 831 CB VAL A 57 26.784 -5.053 -10.506 1.00 13.35 C ATOM 832 CG1 VAL A 57 27.319 -3.961 -9.552 1.00 12.43 C ATOM 833 CG2 VAL A 57 25.590 -4.537 -11.293 1.00 21.14 C ATOM 0 H VAL A 57 27.649 -4.153 -13.010 1.00 5.31 H new ATOM 0 HA VAL A 57 28.841 -5.813 -10.894 1.00 1.03 H new ATOM 0 HB VAL A 57 26.438 -5.908 -9.926 1.00 13.35 H new ATOM 0 HG11 VAL A 57 26.515 -3.625 -8.897 1.00 12.43 H new ATOM 0 HG12 VAL A 57 28.131 -4.369 -8.950 1.00 12.43 H new ATOM 0 HG13 VAL A 57 27.689 -3.118 -10.135 1.00 12.43 H new ATOM 0 HG21 VAL A 57 24.811 -4.213 -10.602 1.00 21.14 H new ATOM 0 HG22 VAL A 57 25.899 -3.695 -11.912 1.00 21.14 H new ATOM 0 HG23 VAL A 57 25.203 -5.332 -11.930 1.00 21.14 H new ATOM 843 N ASP A 58 27.632 -7.934 -11.569 1.00 4.41 N ATOM 844 CA ASP A 58 27.261 -9.229 -12.132 1.00 24.30 C ATOM 845 C ASP A 58 26.361 -9.998 -11.182 1.00 62.04 C ATOM 846 O ASP A 58 26.401 -9.796 -9.971 1.00 3.15 O ATOM 847 CB ASP A 58 28.518 -10.080 -12.399 1.00 54.11 C ATOM 848 CG ASP A 58 29.139 -10.627 -11.115 1.00 53.34 C ATOM 849 OD1 ASP A 58 29.907 -9.888 -10.464 1.00 3.34 O ATOM 850 OD2 ASP A 58 28.812 -11.772 -10.730 1.00 52.23 O ATOM 0 H ASP A 58 28.049 -7.999 -10.640 1.00 4.41 H new ATOM 0 HA ASP A 58 26.731 -9.038 -13.065 1.00 24.30 H new ATOM 0 HB2 ASP A 58 28.258 -10.911 -13.055 1.00 54.11 H new ATOM 0 HB3 ASP A 58 29.256 -9.476 -12.927 1.00 54.11 H new ATOM 855 N LEU A 59 25.572 -10.897 -11.746 1.00 33.42 N ATOM 856 CA LEU A 59 24.778 -11.842 -10.974 1.00 2.30 C ATOM 857 C LEU A 59 24.867 -13.138 -11.768 1.00 42.04 C ATOM 858 O LEU A 59 24.958 -13.088 -13.000 1.00 0.14 O ATOM 859 CB LEU A 59 23.304 -11.397 -10.853 1.00 33.33 C ATOM 860 CG LEU A 59 23.001 -10.114 -10.044 1.00 64.21 C ATOM 861 CD1 LEU A 59 22.829 -8.917 -10.981 1.00 0.45 C ATOM 862 CD2 LEU A 59 21.731 -10.323 -9.242 1.00 1.14 C ATOM 0 H LEU A 59 25.463 -10.993 -12.756 1.00 33.42 H new ATOM 0 HA LEU A 59 25.146 -11.932 -9.952 1.00 2.30 H new ATOM 0 HB2 LEU A 59 22.913 -11.257 -11.861 1.00 33.33 H new ATOM 0 HB3 LEU A 59 22.743 -12.216 -10.404 1.00 33.33 H new ATOM 0 HG LEU A 59 23.835 -9.909 -9.373 1.00 64.21 H new ATOM 0 HD11 LEU A 59 22.616 -8.023 -10.394 1.00 0.45 H new ATOM 0 HD12 LEU A 59 23.746 -8.767 -11.552 1.00 0.45 H new ATOM 0 HD13 LEU A 59 22.002 -9.107 -11.666 1.00 0.45 H new ATOM 0 HD21 LEU A 59 21.510 -9.423 -8.669 1.00 1.14 H new ATOM 0 HD22 LEU A 59 20.903 -10.534 -9.919 1.00 1.14 H new ATOM 0 HD23 LEU A 59 21.865 -11.163 -8.561 1.00 1.14 H new ATOM 874 N PRO A 60 24.846 -14.306 -11.101 1.00 60.23 N ATOM 875 CA PRO A 60 24.843 -15.507 -11.941 1.00 60.51 C ATOM 876 C PRO A 60 23.512 -15.671 -12.668 1.00 1.34 C ATOM 877 O PRO A 60 22.471 -15.212 -12.181 1.00 21.42 O ATOM 878 CB PRO A 60 25.047 -16.634 -10.927 1.00 23.24 C ATOM 879 CG PRO A 60 24.470 -16.112 -9.674 1.00 0.13 C ATOM 880 CD PRO A 60 24.787 -14.639 -9.668 1.00 5.44 C ATOM 0 HA PRO A 60 25.602 -15.481 -12.723 1.00 60.51 H new ATOM 0 HB2 PRO A 60 24.546 -17.549 -11.244 1.00 23.24 H new ATOM 0 HB3 PRO A 60 26.103 -16.874 -10.808 1.00 23.24 H new ATOM 0 HG2 PRO A 60 23.394 -16.282 -9.637 1.00 0.13 H new ATOM 0 HG3 PRO A 60 24.902 -16.610 -8.806 1.00 0.13 H new ATOM 0 HD2 PRO A 60 24.019 -14.063 -9.151 1.00 5.44 H new ATOM 0 HD3 PRO A 60 25.732 -14.432 -9.166 1.00 5.44 H new ATOM 888 N ILE A 61 23.518 -16.360 -13.799 1.00 30.12 N ATOM 889 CA ILE A 61 22.287 -16.578 -14.576 1.00 33.33 C ATOM 890 C ILE A 61 21.247 -17.353 -13.743 1.00 45.51 C ATOM 891 O ILE A 61 20.048 -17.179 -13.908 1.00 71.51 O ATOM 892 CB ILE A 61 22.608 -17.304 -15.940 1.00 75.11 C ATOM 893 CG1 ILE A 61 21.413 -17.208 -16.914 1.00 41.40 C ATOM 894 CG2 ILE A 61 22.994 -18.785 -15.710 1.00 34.30 C ATOM 895 CD1 ILE A 61 21.226 -15.848 -17.568 1.00 45.12 C ATOM 0 H ILE A 61 24.354 -16.780 -14.206 1.00 30.12 H new ATOM 0 HA ILE A 61 21.853 -15.608 -14.819 1.00 33.33 H new ATOM 0 HB ILE A 61 23.461 -16.794 -16.388 1.00 75.11 H new ATOM 0 HG12 ILE A 61 21.540 -17.956 -17.696 1.00 41.40 H new ATOM 0 HG13 ILE A 61 20.501 -17.463 -16.374 1.00 41.40 H new ATOM 0 HG21 ILE A 61 23.209 -19.258 -16.668 1.00 34.30 H new ATOM 0 HG22 ILE A 61 23.877 -18.836 -15.073 1.00 34.30 H new ATOM 0 HG23 ILE A 61 22.168 -19.305 -15.226 1.00 34.30 H new ATOM 0 HD11 ILE A 61 20.363 -15.880 -18.233 1.00 45.12 H new ATOM 0 HD12 ILE A 61 21.063 -15.094 -16.798 1.00 45.12 H new ATOM 0 HD13 ILE A 61 22.118 -15.594 -18.142 1.00 45.12 H new ATOM 907 N ARG A 62 21.716 -18.125 -12.768 1.00 62.45 N ATOM 908 CA ARG A 62 20.820 -18.854 -11.871 1.00 72.10 C ATOM 909 C ARG A 62 19.927 -17.887 -11.100 1.00 40.11 C ATOM 910 O ARG A 62 18.765 -18.171 -10.841 1.00 70.43 O ATOM 911 CB ARG A 62 21.645 -19.697 -10.885 1.00 33.44 C ATOM 912 CG ARG A 62 20.833 -20.739 -10.125 1.00 44.23 C ATOM 913 CD ARG A 62 21.720 -21.657 -9.250 1.00 30.22 C ATOM 914 NE ARG A 62 22.312 -20.941 -8.104 1.00 33.41 N ATOM 915 CZ ARG A 62 23.564 -20.484 -8.038 1.00 25.11 C ATOM 916 NH1 ARG A 62 24.434 -20.635 -9.004 1.00 51.21 N ATOM 917 NH2 ARG A 62 23.939 -19.849 -6.967 1.00 62.22 N ATOM 0 H ARG A 62 22.708 -18.263 -12.577 1.00 62.45 H new ATOM 0 HA ARG A 62 20.187 -19.509 -12.470 1.00 72.10 H new ATOM 0 HB2 ARG A 62 22.441 -20.201 -11.433 1.00 33.44 H new ATOM 0 HB3 ARG A 62 22.124 -19.031 -10.167 1.00 33.44 H new ATOM 0 HG2 ARG A 62 20.102 -20.235 -9.493 1.00 44.23 H new ATOM 0 HG3 ARG A 62 20.274 -21.348 -10.835 1.00 44.23 H new ATOM 0 HD2 ARG A 62 21.123 -22.493 -8.884 1.00 30.22 H new ATOM 0 HD3 ARG A 62 22.517 -22.079 -9.862 1.00 30.22 H new ATOM 0 HE ARG A 62 21.714 -20.782 -7.293 1.00 33.41 H new ATOM 0 HH11 ARG A 62 24.167 -21.122 -9.859 1.00 51.21 H new ATOM 0 HH12 ARG A 62 25.379 -20.266 -8.901 1.00 51.21 H new ATOM 0 HH21 ARG A 62 23.281 -19.709 -6.200 1.00 62.22 H new ATOM 0 HH22 ARG A 62 24.891 -19.491 -6.894 1.00 62.22 H new ATOM 931 N GLN A 63 20.466 -16.731 -10.755 1.00 10.03 N ATOM 932 CA GLN A 63 19.713 -15.747 -10.000 1.00 35.32 C ATOM 933 C GLN A 63 18.763 -14.981 -10.911 1.00 11.54 C ATOM 934 O GLN A 63 17.648 -14.673 -10.514 1.00 74.15 O ATOM 935 CB GLN A 63 20.673 -14.796 -9.282 1.00 60.11 C ATOM 936 CG GLN A 63 20.152 -14.243 -7.964 1.00 24.45 C ATOM 937 CD GLN A 63 21.274 -14.030 -6.962 1.00 51.12 C ATOM 938 OE1 GLN A 63 21.799 -12.940 -6.823 1.00 2.23 O ATOM 939 NE2 GLN A 63 21.656 -15.083 -6.275 1.00 31.31 N ATOM 0 H GLN A 63 21.420 -16.452 -10.985 1.00 10.03 H new ATOM 0 HA GLN A 63 19.111 -16.262 -9.251 1.00 35.32 H new ATOM 0 HB2 GLN A 63 21.610 -15.320 -9.095 1.00 60.11 H new ATOM 0 HB3 GLN A 63 20.901 -13.962 -9.946 1.00 60.11 H new ATOM 0 HG2 GLN A 63 19.639 -13.298 -8.143 1.00 24.45 H new ATOM 0 HG3 GLN A 63 19.416 -14.930 -7.546 1.00 24.45 H new ATOM 0 HE21 GLN A 63 21.193 -15.981 -6.418 1.00 31.31 H new ATOM 0 HE22 GLN A 63 22.416 -15.003 -5.599 1.00 31.31 H new ATOM 948 N LEU A 64 19.168 -14.758 -12.152 1.00 62.44 N ATOM 949 CA LEU A 64 18.295 -14.107 -13.127 1.00 43.24 C ATOM 950 C LEU A 64 17.077 -14.976 -13.431 1.00 15.11 C ATOM 951 O LEU A 64 15.980 -14.476 -13.594 1.00 53.14 O ATOM 952 CB LEU A 64 19.065 -13.830 -14.426 1.00 21.31 C ATOM 953 CG LEU A 64 19.259 -12.339 -14.755 1.00 14.25 C ATOM 954 CD1 LEU A 64 20.244 -12.203 -15.923 1.00 24.12 C ATOM 955 CD2 LEU A 64 17.945 -11.649 -15.101 1.00 73.15 C ATOM 0 H LEU A 64 20.088 -15.015 -12.510 1.00 62.44 H new ATOM 0 HA LEU A 64 17.955 -13.164 -12.699 1.00 43.24 H new ATOM 0 HB2 LEU A 64 20.045 -14.303 -14.359 1.00 21.31 H new ATOM 0 HB3 LEU A 64 18.537 -14.305 -15.253 1.00 21.31 H new ATOM 0 HG LEU A 64 19.656 -11.849 -13.866 1.00 14.25 H new ATOM 0 HD11 LEU A 64 20.384 -11.148 -16.160 1.00 24.12 H new ATOM 0 HD12 LEU A 64 21.202 -12.643 -15.645 1.00 24.12 H new ATOM 0 HD13 LEU A 64 19.847 -12.721 -16.796 1.00 24.12 H new ATOM 0 HD21 LEU A 64 18.133 -10.599 -15.325 1.00 73.15 H new ATOM 0 HD22 LEU A 64 17.499 -12.132 -15.970 1.00 73.15 H new ATOM 0 HD23 LEU A 64 17.262 -11.722 -14.255 1.00 73.15 H new ATOM 967 N PHE A 65 17.261 -16.292 -13.449 1.00 51.02 N ATOM 968 CA PHE A 65 16.139 -17.211 -13.689 1.00 13.30 C ATOM 969 C PHE A 65 15.196 -17.232 -12.496 1.00 42.22 C ATOM 970 O PHE A 65 14.013 -17.507 -12.641 1.00 74.31 O ATOM 971 CB PHE A 65 16.638 -18.635 -13.949 1.00 33.03 C ATOM 972 CG PHE A 65 17.255 -18.839 -15.313 1.00 73.02 C ATOM 973 CD1 PHE A 65 16.602 -18.388 -16.484 1.00 10.24 C ATOM 974 CD2 PHE A 65 18.484 -19.515 -15.442 1.00 51.01 C ATOM 975 CE1 PHE A 65 17.168 -18.608 -17.764 1.00 3.44 C ATOM 976 CE2 PHE A 65 19.058 -19.741 -16.723 1.00 72.11 C ATOM 977 CZ PHE A 65 18.402 -19.281 -17.882 1.00 1.14 C ATOM 0 H PHE A 65 18.162 -16.748 -13.303 1.00 51.02 H new ATOM 0 HA PHE A 65 15.608 -16.850 -14.570 1.00 13.30 H new ATOM 0 HB2 PHE A 65 17.374 -18.894 -13.188 1.00 33.03 H new ATOM 0 HB3 PHE A 65 15.803 -19.327 -13.834 1.00 33.03 H new ATOM 0 HD1 PHE A 65 15.659 -17.869 -16.401 1.00 10.24 H new ATOM 0 HD2 PHE A 65 18.996 -19.866 -14.558 1.00 51.01 H new ATOM 0 HE1 PHE A 65 16.655 -18.261 -18.649 1.00 3.44 H new ATOM 0 HE2 PHE A 65 19.998 -20.266 -16.808 1.00 72.11 H new ATOM 0 HZ PHE A 65 18.841 -19.443 -18.855 1.00 1.14 H new ATOM 987 N SER A 66 15.721 -16.926 -11.322 1.00 73.55 N ATOM 988 CA SER A 66 14.924 -16.904 -10.097 1.00 53.23 C ATOM 989 C SER A 66 14.280 -15.533 -9.879 1.00 4.34 C ATOM 990 O SER A 66 13.535 -15.331 -8.926 1.00 44.31 O ATOM 991 CB SER A 66 15.822 -17.225 -8.893 1.00 44.44 C ATOM 992 OG SER A 66 16.508 -18.453 -9.091 1.00 3.11 O ATOM 0 H SER A 66 16.703 -16.687 -11.186 1.00 73.55 H new ATOM 0 HA SER A 66 14.136 -17.651 -10.195 1.00 53.23 H new ATOM 0 HB2 SER A 66 16.542 -16.420 -8.745 1.00 44.44 H new ATOM 0 HB3 SER A 66 15.218 -17.282 -7.988 1.00 44.44 H new ATOM 0 HG SER A 66 17.267 -18.310 -9.694 1.00 3.11 H new ATOM 998 N SER A 67 14.631 -14.585 -10.735 1.00 14.44 N ATOM 999 CA SER A 67 14.159 -13.201 -10.624 1.00 64.43 C ATOM 1000 C SER A 67 14.167 -12.530 -11.993 1.00 65.55 C ATOM 1001 O SER A 67 14.978 -11.648 -12.250 1.00 23.22 O ATOM 1002 CB SER A 67 15.079 -12.422 -9.684 1.00 73.14 C ATOM 1003 OG SER A 67 15.041 -12.978 -8.382 1.00 72.43 O ATOM 0 H SER A 67 15.251 -14.747 -11.529 1.00 14.44 H new ATOM 0 HA SER A 67 13.142 -13.208 -10.231 1.00 64.43 H new ATOM 0 HB2 SER A 67 16.100 -12.442 -10.065 1.00 73.14 H new ATOM 0 HB3 SER A 67 14.772 -11.377 -9.649 1.00 73.14 H new ATOM 0 HG SER A 67 15.636 -12.470 -7.792 1.00 72.43 H new ATOM 1009 N PRO A 68 13.279 -12.958 -12.907 1.00 22.14 N ATOM 1010 CA PRO A 68 13.338 -12.384 -14.255 1.00 44.15 C ATOM 1011 C PRO A 68 12.794 -10.962 -14.429 1.00 44.54 C ATOM 1012 O PRO A 68 12.998 -10.372 -15.474 1.00 55.23 O ATOM 1013 CB PRO A 68 12.502 -13.373 -15.070 1.00 12.02 C ATOM 1014 CG PRO A 68 11.479 -13.837 -14.104 1.00 51.12 C ATOM 1015 CD PRO A 68 12.242 -14.005 -12.816 1.00 52.50 C ATOM 0 HA PRO A 68 14.378 -12.263 -14.557 1.00 44.15 H new ATOM 0 HB2 PRO A 68 12.047 -12.895 -15.938 1.00 12.02 H new ATOM 0 HB3 PRO A 68 13.107 -14.200 -15.442 1.00 12.02 H new ATOM 0 HG2 PRO A 68 10.672 -13.112 -13.998 1.00 51.12 H new ATOM 0 HG3 PRO A 68 11.025 -14.775 -14.424 1.00 51.12 H new ATOM 0 HD2 PRO A 68 11.601 -13.864 -11.946 1.00 52.50 H new ATOM 0 HD3 PRO A 68 12.679 -15.000 -12.732 1.00 52.50 H new ATOM 1023 N THR A 69 12.124 -10.405 -13.427 1.00 42.14 N ATOM 1024 CA THR A 69 11.619 -9.028 -13.511 1.00 1.43 C ATOM 1025 C THR A 69 12.669 -8.060 -13.013 1.00 15.40 C ATOM 1026 O THR A 69 13.456 -8.407 -12.120 1.00 51.04 O ATOM 1027 CB THR A 69 10.374 -8.805 -12.621 1.00 5.20 C ATOM 1028 OG1 THR A 69 10.680 -9.201 -11.291 1.00 61.22 O ATOM 1029 CG2 THR A 69 9.194 -9.631 -13.081 1.00 32.23 C ATOM 0 H THR A 69 11.915 -10.878 -12.548 1.00 42.14 H new ATOM 0 HA THR A 69 11.365 -8.861 -14.558 1.00 1.43 H new ATOM 0 HB THR A 69 10.112 -7.749 -12.682 1.00 5.20 H new ATOM 0 HG1 THR A 69 9.896 -9.061 -10.720 1.00 61.22 H new ATOM 0 HG21 THR A 69 8.342 -9.443 -12.428 1.00 32.23 H new ATOM 0 HG22 THR A 69 8.935 -9.357 -14.104 1.00 32.23 H new ATOM 0 HG23 THR A 69 9.454 -10.689 -13.044 1.00 32.23 H new ATOM 1037 N PRO A 70 12.694 -6.800 -13.512 1.00 42.41 N ATOM 1038 CA PRO A 70 13.671 -5.870 -12.931 1.00 33.24 C ATOM 1039 C PRO A 70 13.581 -5.734 -11.436 1.00 43.50 C ATOM 1040 O PRO A 70 14.592 -5.553 -10.772 1.00 1.14 O ATOM 1041 CB PRO A 70 13.313 -4.502 -13.626 1.00 3.50 C ATOM 1042 CG PRO A 70 12.705 -4.930 -14.890 1.00 22.31 C ATOM 1043 CD PRO A 70 11.920 -6.158 -14.583 1.00 13.30 C ATOM 0 HA PRO A 70 14.690 -6.218 -13.099 1.00 33.24 H new ATOM 0 HB2 PRO A 70 12.622 -3.911 -13.024 1.00 3.50 H new ATOM 0 HB3 PRO A 70 14.198 -3.888 -13.790 1.00 3.50 H new ATOM 0 HG2 PRO A 70 12.062 -4.149 -15.296 1.00 22.31 H new ATOM 0 HG3 PRO A 70 13.470 -5.135 -15.639 1.00 22.31 H new ATOM 0 HD2 PRO A 70 10.908 -5.917 -14.258 1.00 13.30 H new ATOM 0 HD3 PRO A 70 11.829 -6.805 -15.456 1.00 13.30 H new ATOM 1051 N ALA A 71 12.380 -5.686 -10.899 1.00 0.21 N ATOM 1052 CA ALA A 71 12.232 -5.507 -9.502 1.00 35.23 C ATOM 1053 C ALA A 71 12.885 -6.616 -8.675 1.00 63.25 C ATOM 1054 O ALA A 71 13.526 -6.389 -7.625 1.00 41.32 O ATOM 1055 CB ALA A 71 10.725 -5.422 -9.086 1.00 2.11 C ATOM 0 H ALA A 71 11.507 -5.770 -11.420 1.00 0.21 H new ATOM 0 HA ALA A 71 12.741 -4.567 -9.289 1.00 35.23 H new ATOM 0 HB1 ALA A 71 10.653 -5.285 -8.007 1.00 2.11 H new ATOM 0 HB2 ALA A 71 10.255 -4.578 -9.592 1.00 2.11 H new ATOM 0 HB3 ALA A 71 10.217 -6.344 -9.369 1.00 2.11 H new ATOM 1061 N GLY A 72 12.826 -7.820 -9.233 1.00 11.35 N ATOM 1062 CA GLY A 72 13.455 -8.970 -8.596 1.00 21.32 C ATOM 1063 C GLY A 72 14.970 -8.893 -8.628 1.00 12.54 C ATOM 1064 O GLY A 72 15.632 -9.134 -7.614 1.00 62.42 O ATOM 0 H GLY A 72 12.355 -8.024 -10.114 1.00 11.35 H new ATOM 0 HA2 GLY A 72 13.119 -9.037 -7.561 1.00 21.32 H new ATOM 0 HA3 GLY A 72 13.130 -9.882 -9.097 1.00 21.32 H new ATOM 1068 N VAL A 73 15.532 -8.532 -9.772 1.00 25.41 N ATOM 1069 CA VAL A 73 16.984 -8.430 -9.903 1.00 24.02 C ATOM 1070 C VAL A 73 17.505 -7.323 -8.986 1.00 43.41 C ATOM 1071 O VAL A 73 18.535 -7.478 -8.339 1.00 73.13 O ATOM 1072 CB VAL A 73 17.415 -8.118 -11.359 1.00 64.22 C ATOM 1073 CG1 VAL A 73 18.946 -8.043 -11.471 1.00 5.21 C ATOM 1074 CG2 VAL A 73 16.898 -9.196 -12.309 1.00 5.13 C ATOM 0 H VAL A 73 15.012 -8.305 -10.620 1.00 25.41 H new ATOM 0 HA VAL A 73 17.406 -9.394 -9.621 1.00 24.02 H new ATOM 0 HB VAL A 73 16.988 -7.153 -11.634 1.00 64.22 H new ATOM 0 HG11 VAL A 73 19.225 -7.823 -12.501 1.00 5.21 H new ATOM 0 HG12 VAL A 73 19.320 -7.255 -10.818 1.00 5.21 H new ATOM 0 HG13 VAL A 73 19.380 -8.998 -11.173 1.00 5.21 H new ATOM 0 HG21 VAL A 73 17.209 -8.963 -13.327 1.00 5.13 H new ATOM 0 HG22 VAL A 73 17.306 -10.164 -12.018 1.00 5.13 H new ATOM 0 HG23 VAL A 73 15.810 -9.232 -12.261 1.00 5.13 H new ATOM 1084 N ALA A 74 16.776 -6.219 -8.900 1.00 74.12 N ATOM 1085 CA ALA A 74 17.228 -5.092 -8.098 1.00 50.55 C ATOM 1086 C ALA A 74 17.377 -5.460 -6.630 1.00 43.40 C ATOM 1087 O ALA A 74 18.388 -5.111 -6.017 1.00 0.32 O ATOM 1088 CB ALA A 74 16.276 -3.918 -8.257 1.00 71.51 C ATOM 0 H ALA A 74 15.881 -6.080 -9.369 1.00 74.12 H new ATOM 0 HA ALA A 74 18.215 -4.805 -8.462 1.00 50.55 H new ATOM 0 HB1 ALA A 74 16.626 -3.082 -7.652 1.00 71.51 H new ATOM 0 HB2 ALA A 74 16.240 -3.618 -9.304 1.00 71.51 H new ATOM 0 HB3 ALA A 74 15.279 -4.211 -7.929 1.00 71.51 H new ATOM 1094 N ARG A 75 16.409 -6.158 -6.052 1.00 4.23 N ATOM 1095 CA ARG A 75 16.521 -6.512 -4.634 1.00 14.43 C ATOM 1096 C ARG A 75 17.631 -7.534 -4.393 1.00 52.51 C ATOM 1097 O ARG A 75 18.304 -7.489 -3.371 1.00 43.54 O ATOM 1098 CB ARG A 75 15.185 -7.006 -4.062 1.00 43.13 C ATOM 1099 CG ARG A 75 14.626 -8.283 -4.679 1.00 33.33 C ATOM 1100 CD ARG A 75 13.421 -8.790 -3.891 1.00 63.43 C ATOM 1101 NE ARG A 75 13.822 -9.322 -2.578 1.00 52.22 N ATOM 1102 CZ ARG A 75 12.987 -9.796 -1.655 1.00 51.12 C ATOM 1103 NH1 ARG A 75 11.691 -9.824 -1.832 1.00 0.03 N ATOM 1104 NH2 ARG A 75 13.475 -10.243 -0.537 1.00 4.10 N ATOM 0 H ARG A 75 15.563 -6.484 -6.519 1.00 4.23 H new ATOM 0 HA ARG A 75 16.789 -5.599 -4.102 1.00 14.43 H new ATOM 0 HB2 ARG A 75 15.308 -7.167 -2.991 1.00 43.13 H new ATOM 0 HB3 ARG A 75 14.446 -6.214 -4.182 1.00 43.13 H new ATOM 0 HG2 ARG A 75 14.336 -8.095 -5.713 1.00 33.33 H new ATOM 0 HG3 ARG A 75 15.400 -9.050 -4.700 1.00 33.33 H new ATOM 0 HD2 ARG A 75 12.707 -7.978 -3.753 1.00 63.43 H new ATOM 0 HD3 ARG A 75 12.913 -9.568 -4.461 1.00 63.43 H new ATOM 0 HE ARG A 75 14.818 -9.328 -2.358 1.00 52.22 H new ATOM 0 HH11 ARG A 75 11.287 -9.475 -2.701 1.00 0.03 H new ATOM 0 HH12 ARG A 75 11.084 -10.195 -1.101 1.00 0.03 H new ATOM 0 HH21 ARG A 75 14.482 -10.227 -0.378 1.00 4.10 H new ATOM 0 HH22 ARG A 75 12.851 -10.610 0.181 1.00 4.10 H new ATOM 1118 N ALA A 76 17.835 -8.427 -5.349 1.00 42.43 N ATOM 1119 CA ALA A 76 18.894 -9.438 -5.237 1.00 33.24 C ATOM 1120 C ALA A 76 20.264 -8.754 -5.262 1.00 21.12 C ATOM 1121 O ALA A 76 21.141 -9.034 -4.446 1.00 14.15 O ATOM 1122 CB ALA A 76 18.772 -10.464 -6.382 1.00 45.20 C ATOM 0 H ALA A 76 17.289 -8.479 -6.209 1.00 42.43 H new ATOM 0 HA ALA A 76 18.787 -9.970 -4.292 1.00 33.24 H new ATOM 0 HB1 ALA A 76 19.562 -11.209 -6.289 1.00 45.20 H new ATOM 0 HB2 ALA A 76 17.801 -10.956 -6.327 1.00 45.20 H new ATOM 0 HB3 ALA A 76 18.866 -9.953 -7.340 1.00 45.20 H new ATOM 1128 N LEU A 77 20.421 -7.847 -6.206 1.00 61.05 N ATOM 1129 CA LEU A 77 21.668 -7.106 -6.350 1.00 41.21 C ATOM 1130 C LEU A 77 21.900 -6.225 -5.110 1.00 24.34 C ATOM 1131 O LEU A 77 23.014 -6.167 -4.593 1.00 75.33 O ATOM 1132 CB LEU A 77 21.589 -6.217 -7.590 1.00 25.32 C ATOM 1133 CG LEU A 77 22.788 -5.275 -7.825 1.00 42.20 C ATOM 1134 CD1 LEU A 77 24.101 -6.062 -7.961 1.00 71.12 C ATOM 1135 CD2 LEU A 77 22.527 -4.452 -9.075 1.00 42.43 C ATOM 0 H LEU A 77 19.703 -7.602 -6.887 1.00 61.05 H new ATOM 0 HA LEU A 77 22.493 -7.811 -6.452 1.00 41.21 H new ATOM 0 HB2 LEU A 77 21.479 -6.857 -8.465 1.00 25.32 H new ATOM 0 HB3 LEU A 77 20.685 -5.612 -7.522 1.00 25.32 H new ATOM 0 HG LEU A 77 22.895 -4.616 -6.964 1.00 42.20 H new ATOM 0 HD11 LEU A 77 24.926 -5.368 -8.126 1.00 71.12 H new ATOM 0 HD12 LEU A 77 24.281 -6.630 -7.048 1.00 71.12 H new ATOM 0 HD13 LEU A 77 24.029 -6.747 -8.806 1.00 71.12 H new ATOM 0 HD21 LEU A 77 23.368 -3.782 -9.252 1.00 42.43 H new ATOM 0 HD22 LEU A 77 22.407 -5.117 -9.930 1.00 42.43 H new ATOM 0 HD23 LEU A 77 21.618 -3.866 -8.941 1.00 42.43 H new ATOM 1147 N ALA A 78 20.861 -5.570 -4.614 1.00 62.42 N ATOM 1148 CA ALA A 78 21.010 -4.705 -3.459 1.00 60.15 C ATOM 1149 C ALA A 78 21.475 -5.505 -2.237 1.00 2.20 C ATOM 1150 O ALA A 78 22.305 -5.020 -1.451 1.00 72.15 O ATOM 1151 CB ALA A 78 19.675 -3.992 -3.156 1.00 72.02 C ATOM 0 H ALA A 78 19.915 -5.621 -4.991 1.00 62.42 H new ATOM 0 HA ALA A 78 21.769 -3.955 -3.684 1.00 60.15 H new ATOM 0 HB1 ALA A 78 19.797 -3.345 -2.287 1.00 72.02 H new ATOM 0 HB2 ALA A 78 19.379 -3.392 -4.017 1.00 72.02 H new ATOM 0 HB3 ALA A 78 18.904 -4.735 -2.950 1.00 72.02 H new ATOM 1157 N ALA A 79 20.978 -6.737 -2.080 1.00 20.13 N ATOM 1158 CA ALA A 79 21.383 -7.562 -0.957 1.00 73.25 C ATOM 1159 C ALA A 79 22.880 -7.897 -0.985 1.00 31.34 C ATOM 1160 O ALA A 79 23.541 -7.841 0.037 1.00 64.23 O ATOM 1161 CB ALA A 79 20.526 -8.847 -0.940 1.00 24.52 C ATOM 0 H ALA A 79 20.305 -7.172 -2.711 1.00 20.13 H new ATOM 0 HA ALA A 79 21.217 -6.997 -0.040 1.00 73.25 H new ATOM 0 HB1 ALA A 79 20.825 -9.472 -0.099 1.00 24.52 H new ATOM 0 HB2 ALA A 79 19.474 -8.581 -0.839 1.00 24.52 H new ATOM 0 HB3 ALA A 79 20.674 -9.395 -1.870 1.00 24.52 H new ATOM 1167 N LYS A 80 23.404 -8.245 -2.144 1.00 72.23 N ATOM 1168 CA LYS A 80 24.831 -8.581 -2.233 1.00 40.02 C ATOM 1169 C LYS A 80 25.709 -7.331 -2.246 1.00 31.43 C ATOM 1170 O LYS A 80 26.888 -7.405 -1.940 1.00 41.15 O ATOM 1171 CB LYS A 80 25.135 -9.462 -3.457 1.00 24.21 C ATOM 1172 CG LYS A 80 24.847 -8.824 -4.820 1.00 12.13 C ATOM 1173 CD LYS A 80 25.208 -9.739 -5.995 1.00 0.04 C ATOM 1174 CE LYS A 80 26.727 -9.851 -6.190 1.00 30.01 C ATOM 1175 NZ LYS A 80 27.093 -10.657 -7.417 1.00 0.30 N ATOM 0 H LYS A 80 22.888 -8.305 -3.022 1.00 72.23 H new ATOM 0 HA LYS A 80 25.071 -9.153 -1.337 1.00 40.02 H new ATOM 0 HB2 LYS A 80 26.186 -9.748 -3.424 1.00 24.21 H new ATOM 0 HB3 LYS A 80 24.553 -10.380 -3.375 1.00 24.21 H new ATOM 0 HG2 LYS A 80 23.790 -8.566 -4.879 1.00 12.13 H new ATOM 0 HG3 LYS A 80 25.407 -7.893 -4.905 1.00 12.13 H new ATOM 0 HD2 LYS A 80 24.790 -10.731 -5.824 1.00 0.04 H new ATOM 0 HD3 LYS A 80 24.753 -9.354 -6.908 1.00 0.04 H new ATOM 0 HE2 LYS A 80 27.154 -8.852 -6.274 1.00 30.01 H new ATOM 0 HE3 LYS A 80 27.171 -10.314 -5.309 1.00 30.01 H new ATOM 0 HZ1 LYS A 80 28.118 -10.834 -7.423 1.00 0.30 H new ATOM 0 HZ2 LYS A 80 26.585 -11.564 -7.400 1.00 0.30 H new ATOM 0 HZ3 LYS A 80 26.828 -10.128 -8.272 1.00 0.30 H new ATOM 1189 N SER A 81 25.132 -6.188 -2.575 1.00 41.15 N ATOM 1190 CA SER A 81 25.883 -4.934 -2.634 1.00 3.41 C ATOM 1191 C SER A 81 25.999 -4.271 -1.265 1.00 20.23 C ATOM 1192 O SER A 81 27.002 -3.638 -0.981 1.00 41.54 O ATOM 1193 CB SER A 81 25.208 -3.957 -3.597 1.00 73.10 C ATOM 1194 OG SER A 81 26.008 -2.806 -3.787 1.00 43.41 O ATOM 0 H SER A 81 24.143 -6.097 -2.807 1.00 41.15 H new ATOM 0 HA SER A 81 26.885 -5.181 -2.985 1.00 3.41 H new ATOM 0 HB2 SER A 81 25.033 -4.446 -4.555 1.00 73.10 H new ATOM 0 HB3 SER A 81 24.233 -3.667 -3.204 1.00 73.10 H new ATOM 0 HG SER A 81 25.559 -2.194 -4.407 1.00 43.41 H new ATOM 1200 N ALA A 82 24.971 -4.404 -0.433 1.00 0.04 N ATOM 1201 CA ALA A 82 24.962 -3.785 0.896 1.00 73.33 C ATOM 1202 C ALA A 82 25.585 -4.709 1.945 1.00 32.54 C ATOM 1203 O ALA A 82 25.659 -4.373 3.127 1.00 43.25 O ATOM 1204 CB ALA A 82 23.523 -3.436 1.294 1.00 51.22 C ATOM 0 H ALA A 82 24.129 -4.936 -0.653 1.00 0.04 H new ATOM 0 HA ALA A 82 25.561 -2.875 0.852 1.00 73.33 H new ATOM 0 HB1 ALA A 82 23.520 -2.976 2.282 1.00 51.22 H new ATOM 0 HB2 ALA A 82 23.104 -2.739 0.568 1.00 51.22 H new ATOM 0 HB3 ALA A 82 22.921 -4.344 1.315 1.00 51.22 H new ATOM 1210 N SER A 83 25.994 -5.890 1.513 1.00 33.35 N ATOM 1211 CA SER A 83 26.604 -6.860 2.414 1.00 53.01 C ATOM 1212 C SER A 83 28.017 -6.410 2.774 1.00 32.32 C ATOM 1213 O SER A 83 28.815 -6.105 1.901 1.00 34.54 O ATOM 1214 CB SER A 83 26.675 -8.225 1.736 1.00 1.23 C ATOM 1215 OG SER A 83 27.349 -9.167 2.557 1.00 43.21 O ATOM 0 H SER A 83 25.916 -6.202 0.545 1.00 33.35 H new ATOM 0 HA SER A 83 25.998 -6.932 3.317 1.00 53.01 H new ATOM 0 HB2 SER A 83 25.667 -8.581 1.520 1.00 1.23 H new ATOM 0 HB3 SER A 83 27.192 -8.134 0.781 1.00 1.23 H new ATOM 0 HG SER A 83 28.240 -9.343 2.189 1.00 43.21 H new ATOM 1221 N TRP A 84 28.324 -6.406 4.063 1.00 40.34 N ATOM 1222 CA TRP A 84 29.670 -6.066 4.518 1.00 21.31 C ATOM 1223 C TRP A 84 30.621 -7.215 4.177 1.00 63.32 C ATOM 1224 O TRP A 84 31.832 -7.035 4.075 1.00 41.22 O ATOM 1225 CB TRP A 84 29.673 -5.809 6.035 1.00 75.12 C ATOM 1226 CG TRP A 84 29.328 -7.040 6.837 1.00 14.23 C ATOM 1227 CD1 TRP A 84 28.101 -7.410 7.298 1.00 63.31 C ATOM 1228 CD2 TRP A 84 30.235 -8.067 7.292 1.00 73.24 C ATOM 1229 NE1 TRP A 84 28.159 -8.588 7.983 1.00 32.43 N ATOM 1230 CE2 TRP A 84 29.453 -9.035 7.996 1.00 62.23 C ATOM 1231 CE3 TRP A 84 31.622 -8.279 7.167 1.00 25.10 C ATOM 1232 CZ2 TRP A 84 30.018 -10.197 8.559 1.00 74.25 C ATOM 1233 CZ3 TRP A 84 32.195 -9.452 7.724 1.00 24.25 C ATOM 1234 CH2 TRP A 84 31.378 -10.400 8.414 1.00 51.15 C ATOM 0 H TRP A 84 27.667 -6.632 4.810 1.00 40.34 H new ATOM 0 HA TRP A 84 30.001 -5.157 4.015 1.00 21.31 H new ATOM 0 HB2 TRP A 84 30.657 -5.449 6.336 1.00 75.12 H new ATOM 0 HB3 TRP A 84 28.959 -5.018 6.266 1.00 75.12 H new ATOM 0 HD1 TRP A 84 27.196 -6.842 7.141 1.00 63.31 H new ATOM 0 HE1 TRP A 84 27.365 -9.060 8.416 1.00 32.43 H new ATOM 0 HE3 TRP A 84 32.241 -7.558 6.654 1.00 25.10 H new ATOM 0 HZ2 TRP A 84 29.405 -10.910 9.090 1.00 74.25 H new ATOM 0 HZ3 TRP A 84 33.256 -9.629 7.626 1.00 24.25 H new ATOM 0 HH2 TRP A 84 31.830 -11.289 8.829 1.00 51.15 H new ATOM 1245 N SER A 85 30.056 -8.401 4.021 1.00 73.13 N ATOM 1246 CA SER A 85 30.838 -9.577 3.672 1.00 34.30 C ATOM 1247 C SER A 85 30.895 -9.662 2.163 1.00 24.20 C ATOM 1248 O SER A 85 29.865 -9.700 1.491 1.00 74.24 O ATOM 1249 CB SER A 85 30.180 -10.836 4.233 1.00 24.42 C ATOM 1250 OG SER A 85 30.933 -11.988 3.882 1.00 11.34 O ATOM 0 H SER A 85 29.057 -8.576 4.131 1.00 73.13 H new ATOM 0 HA SER A 85 31.841 -9.499 4.093 1.00 34.30 H new ATOM 0 HB2 SER A 85 30.103 -10.761 5.318 1.00 24.42 H new ATOM 0 HB3 SER A 85 29.165 -10.926 3.847 1.00 24.42 H new ATOM 0 HG SER A 85 30.500 -12.786 4.250 1.00 11.34 H new ATOM 1256 N HIS A 86 32.108 -9.687 1.632 1.00 22.44 N ATOM 1257 CA HIS A 86 32.303 -9.754 0.192 1.00 43.30 C ATOM 1258 C HIS A 86 31.810 -11.103 -0.332 1.00 60.24 C ATOM 1259 O HIS A 86 31.986 -12.130 0.339 1.00 43.15 O ATOM 1260 CB HIS A 86 33.791 -9.596 -0.125 1.00 51.33 C ATOM 1261 CG HIS A 86 34.310 -8.207 0.102 1.00 62.30 C ATOM 1262 ND1 HIS A 86 34.651 -7.686 1.324 1.00 14.24 N ATOM 1263 CD2 HIS A 86 34.550 -7.203 -0.785 1.00 54.21 C ATOM 1264 CE1 HIS A 86 35.075 -6.443 1.143 1.00 13.24 C ATOM 1265 NE2 HIS A 86 35.037 -6.097 -0.128 1.00 44.22 N ATOM 0 H HIS A 86 32.971 -9.662 2.176 1.00 22.44 H new ATOM 0 HA HIS A 86 31.739 -8.954 -0.288 1.00 43.30 H new ATOM 0 HB2 HIS A 86 34.361 -10.293 0.490 1.00 51.33 H new ATOM 0 HB3 HIS A 86 33.964 -9.874 -1.165 1.00 51.33 H new ATOM 0 HD2 HIS A 86 34.382 -7.266 -1.850 1.00 54.21 H new ATOM 0 HE1 HIS A 86 35.410 -5.794 1.939 1.00 13.24 H new ATOM 0 HE2 HIS A 86 35.310 -5.203 -0.536 1.00 44.22 H new ATOM 1273 N PRO A 87 31.195 -11.131 -1.528 1.00 55.15 N ATOM 1274 CA PRO A 87 30.743 -12.442 -2.007 1.00 13.23 C ATOM 1275 C PRO A 87 31.940 -13.296 -2.470 1.00 63.24 C ATOM 1276 O PRO A 87 32.973 -12.768 -2.852 1.00 14.31 O ATOM 1277 CB PRO A 87 29.850 -12.081 -3.186 1.00 4.14 C ATOM 1278 CG PRO A 87 30.422 -10.809 -3.711 1.00 73.11 C ATOM 1279 CD PRO A 87 30.855 -10.056 -2.485 1.00 61.12 C ATOM 0 HA PRO A 87 30.235 -13.031 -1.243 1.00 13.23 H new ATOM 0 HB2 PRO A 87 29.859 -12.863 -3.945 1.00 4.14 H new ATOM 0 HB3 PRO A 87 28.814 -11.951 -2.874 1.00 4.14 H new ATOM 0 HG2 PRO A 87 31.263 -10.998 -4.378 1.00 73.11 H new ATOM 0 HG3 PRO A 87 29.682 -10.247 -4.281 1.00 73.11 H new ATOM 0 HD2 PRO A 87 31.711 -9.413 -2.689 1.00 61.12 H new ATOM 0 HD3 PRO A 87 30.059 -9.415 -2.104 1.00 61.12 H new ATOM 1287 N GLN A 88 31.815 -14.616 -2.433 1.00 41.13 N ATOM 1288 CA GLN A 88 32.898 -15.475 -2.921 1.00 54.13 C ATOM 1289 C GLN A 88 32.932 -15.515 -4.416 1.00 25.52 C ATOM 1290 O GLN A 88 32.104 -14.980 -5.094 1.00 15.42 O ATOM 1291 CB GLN A 88 32.737 -16.908 -2.323 1.00 61.35 C ATOM 1292 CG GLN A 88 33.034 -17.014 -0.901 1.00 74.02 C ATOM 1293 CD GLN A 88 34.479 -16.719 -0.589 1.00 34.52 C ATOM 1294 OE1 GLN A 88 35.337 -17.004 -1.378 1.00 64.54 O ATOM 1295 NE2 GLN A 88 34.739 -16.057 0.530 1.00 52.12 N ATOM 0 H GLN A 88 30.996 -15.111 -2.080 1.00 41.13 H new ATOM 0 HA GLN A 88 33.850 -15.058 -2.592 1.00 54.13 H new ATOM 0 HB2 GLN A 88 31.714 -17.244 -2.492 1.00 61.35 H new ATOM 0 HB3 GLN A 88 33.390 -17.589 -2.868 1.00 61.35 H new ATOM 0 HG2 GLN A 88 32.398 -16.323 -0.348 1.00 74.02 H new ATOM 0 HG3 GLN A 88 32.789 -18.018 -0.556 1.00 74.02 H new ATOM 0 HE21 GLN A 88 33.983 -15.832 1.177 1.00 52.12 H new ATOM 0 HE22 GLN A 88 35.695 -15.772 0.744 1.00 52.12 H new ATOM 1304 N PHE A 89 33.915 -16.254 -4.868 1.00 33.34 N ATOM 1305 CA PHE A 89 34.202 -16.396 -6.232 1.00 43.43 C ATOM 1306 C PHE A 89 33.285 -17.476 -6.889 1.00 34.11 C ATOM 1307 O PHE A 89 33.051 -17.490 -8.113 1.00 43.04 O ATOM 1308 CB PHE A 89 35.665 -16.818 -6.422 1.00 31.33 C ATOM 1309 CG PHE A 89 35.967 -18.194 -5.881 1.00 62.22 C ATOM 1310 CD1 PHE A 89 36.355 -18.435 -4.607 1.00 20.51 C ATOM 1311 CD2 PHE A 89 35.869 -19.311 -6.817 1.00 24.21 C ATOM 1312 CE1 PHE A 89 36.649 -19.730 -4.169 1.00 52.23 C ATOM 1313 CE2 PHE A 89 36.166 -20.643 -6.383 1.00 21.32 C ATOM 1314 CZ PHE A 89 36.562 -20.816 -4.993 1.00 34.35 C ATOM 0 H PHE A 89 34.543 -16.780 -4.260 1.00 33.34 H new ATOM 0 HA PHE A 89 34.022 -15.433 -6.710 1.00 43.43 H new ATOM 0 HB2 PHE A 89 35.908 -16.792 -7.484 1.00 31.33 H new ATOM 0 HB3 PHE A 89 36.312 -16.092 -5.929 1.00 31.33 H new ATOM 0 HD1 PHE A 89 36.439 -17.610 -3.915 1.00 20.51 H new ATOM 0 HD2 PHE A 89 35.572 -19.132 -7.840 1.00 24.21 H new ATOM 0 HE1 PHE A 89 36.955 -19.877 -3.144 1.00 52.23 H new ATOM 0 HE2 PHE A 89 36.099 -21.483 -7.058 1.00 21.32 H new ATOM 0 HZ PHE A 89 36.787 -21.802 -4.614 1.00 34.35 H new ATOM 1324 N GLU A 90 32.668 -18.309 -6.047 1.00 72.10 N ATOM 1325 CA GLU A 90 31.662 -19.253 -6.506 1.00 25.14 C ATOM 1326 C GLU A 90 30.384 -18.450 -6.719 1.00 11.21 C ATOM 1327 O GLU A 90 30.087 -17.546 -5.942 1.00 31.34 O ATOM 1328 CB GLU A 90 31.447 -20.319 -5.418 1.00 62.31 C ATOM 1329 CG GLU A 90 32.703 -21.102 -5.063 1.00 42.30 C ATOM 1330 CD GLU A 90 32.444 -22.195 -4.048 1.00 53.30 C ATOM 1331 OE1 GLU A 90 31.827 -21.891 -3.005 1.00 44.22 O ATOM 1332 OE2 GLU A 90 32.856 -23.350 -4.288 1.00 15.13 O ATOM 0 H GLU A 90 32.852 -18.344 -5.044 1.00 72.10 H new ATOM 0 HA GLU A 90 31.960 -19.756 -7.426 1.00 25.14 H new ATOM 0 HB2 GLU A 90 31.067 -19.834 -4.519 1.00 62.31 H new ATOM 0 HB3 GLU A 90 30.679 -21.016 -5.753 1.00 62.31 H new ATOM 0 HG2 GLU A 90 33.118 -21.544 -5.969 1.00 42.30 H new ATOM 0 HG3 GLU A 90 33.454 -20.417 -4.669 1.00 42.30 H new ATOM 1339 N LYS A 91 29.661 -18.740 -7.793 1.00 2.35 N ATOM 1340 CA LYS A 91 28.480 -17.948 -8.163 1.00 33.20 C ATOM 1341 C LYS A 91 27.229 -18.808 -8.265 1.00 72.14 C ATOM 1342 O LYS A 91 26.198 -18.389 -7.704 1.00 74.24 O ATOM 1343 CB LYS A 91 28.714 -17.217 -9.496 1.00 73.12 C ATOM 1344 CG LYS A 91 30.015 -16.404 -9.588 1.00 54.45 C ATOM 1345 CD LYS A 91 30.070 -15.268 -8.577 1.00 2.21 C ATOM 1346 CE LYS A 91 31.383 -14.521 -8.703 1.00 64.43 C ATOM 1347 NZ LYS A 91 31.585 -13.573 -7.569 1.00 10.01 N ATOM 0 H LYS A 91 29.865 -19.514 -8.426 1.00 2.35 H new ATOM 0 HA LYS A 91 28.325 -17.216 -7.370 1.00 33.20 H new ATOM 0 HB2 LYS A 91 28.709 -17.954 -10.299 1.00 73.12 H new ATOM 0 HB3 LYS A 91 27.874 -16.546 -9.674 1.00 73.12 H new ATOM 0 HG2 LYS A 91 30.865 -17.067 -9.430 1.00 54.45 H new ATOM 0 HG3 LYS A 91 30.113 -15.995 -10.594 1.00 54.45 H new ATOM 0 HD2 LYS A 91 29.237 -14.585 -8.741 1.00 2.21 H new ATOM 0 HD3 LYS A 91 29.964 -15.664 -7.567 1.00 2.21 H new ATOM 0 HE2 LYS A 91 32.207 -15.234 -8.733 1.00 64.43 H new ATOM 0 HE3 LYS A 91 31.402 -13.972 -9.645 1.00 64.43 H new ATOM 0 HZ1 LYS A 91 32.391 -12.949 -7.777 1.00 10.01 H new ATOM 0 HZ2 LYS A 91 30.727 -12.999 -7.439 1.00 10.01 H new ATOM 0 HZ3 LYS A 91 31.778 -14.109 -6.699 1.00 10.01 H new TER 1361 LYS A 91