USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 801 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 91 SER OG : rot -10:sc= -2.92! USER MOD Set 1.2: A 95 THR OG1 : rot -163:sc= 0.407 USER MOD Set 1.3: A 98 SER OG : rot 180:sc= -0.792 USER MOD Set 2.1: A 32 CYS SG : rot 160:sc= 0.893 USER MOD Set 2.2: A 76 GLN : amide:sc= -6.05! C(o=-5.2!,f=-11!) USER MOD Set 3.1: A 28 TYR OH : rot -22:sc= 0.0223 USER MOD Set 3.2: A 38 GLN : amide:sc= -1.1 K(o=-1.1,f=-3.6!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1.36 K(o=-1.4,f=-2) USER MOD Single : A 17 GLN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : A 19 SER OG : rot 101:sc= 0.0712 USER MOD Single : A 35 CYS SG : rot -30:sc= 1.05 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.546 USER MOD Single : A 48 GLN : amide:sc= -1.95 K(o=-2,f=-2.7!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -6.47! C(o=-6.5!,f=-5!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.117 K(o=-0.12,f=-1.2) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0494 USER MOD Single : A 75 GLN : amide:sc= -0.0188 X(o=-0.019,f=-0.046) USER MOD Single : A 77 SER OG : rot 170:sc= -0.573 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.814 USER MOD Single : A 82 TYR OH : rot 14:sc= 0.728 USER MOD Single : A 84 ASN : amide:sc= 0.075 X(o=0.075,f=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 SER OG : rot 180:sc= -0.767 USER MOD Single : A 101 SER OG : rot 180:sc= -0.648 USER MOD Single : A 105 THR OG1 : rot 74:sc= 0.549 USER MOD ----------------------------------------------------------------- ATOM 49 N VAL A 5 -4.048 2.689 -11.015 1.00 52.12 N ATOM 50 CA VAL A 5 -4.780 3.565 -11.923 1.00 22.13 C ATOM 51 C VAL A 5 -6.112 3.994 -11.318 1.00 4.13 C ATOM 52 O VAL A 5 -6.772 3.215 -10.631 1.00 3.33 O ATOM 53 CB VAL A 5 -5.041 2.878 -13.276 1.00 40.35 C ATOM 54 CG1 VAL A 5 -3.736 2.393 -13.890 1.00 33.23 C ATOM 55 CG2 VAL A 5 -6.022 1.728 -13.109 1.00 63.53 C ATOM 0 HA VAL A 5 -4.158 4.445 -12.085 1.00 22.13 H new ATOM 0 HB VAL A 5 -5.484 3.607 -13.954 1.00 40.35 H new ATOM 0 HG11 VAL A 5 -3.941 1.910 -14.846 1.00 33.23 H new ATOM 0 HG12 VAL A 5 -3.070 3.242 -14.047 1.00 33.23 H new ATOM 0 HG13 VAL A 5 -3.261 1.679 -13.217 1.00 33.23 H new ATOM 0 HG21 VAL A 5 -6.195 1.254 -14.075 1.00 63.53 H new ATOM 0 HG22 VAL A 5 -5.610 0.996 -12.414 1.00 63.53 H new ATOM 0 HG23 VAL A 5 -6.965 2.109 -12.718 1.00 63.53 H new ATOM 65 N GLU A 6 -6.500 5.238 -11.578 1.00 53.45 N ATOM 66 CA GLU A 6 -7.754 5.771 -11.059 1.00 12.13 C ATOM 67 C GLU A 6 -8.308 6.854 -11.979 1.00 54.55 C ATOM 68 O GLU A 6 -7.576 7.503 -12.727 1.00 53.31 O ATOM 69 CB GLU A 6 -7.549 6.338 -9.652 1.00 73.41 C ATOM 70 CG GLU A 6 -7.520 5.275 -8.566 1.00 55.23 C ATOM 71 CD GLU A 6 -6.116 4.790 -8.262 1.00 14.23 C ATOM 72 OE1 GLU A 6 -5.952 3.581 -7.994 1.00 40.41 O ATOM 73 OE2 GLU A 6 -5.183 5.619 -8.291 1.00 24.43 O ATOM 0 H GLU A 6 -5.964 5.896 -12.145 1.00 53.45 H new ATOM 0 HA GLU A 6 -8.474 4.954 -11.013 1.00 12.13 H new ATOM 0 HB2 GLU A 6 -6.613 6.897 -9.627 1.00 73.41 H new ATOM 0 HB3 GLU A 6 -8.349 7.046 -9.435 1.00 73.41 H new ATOM 0 HG2 GLU A 6 -7.966 5.678 -7.657 1.00 55.23 H new ATOM 0 HG3 GLU A 6 -8.134 4.429 -8.875 1.00 55.23 H new ATOM 80 N PRO A 7 -9.633 7.055 -11.926 1.00 15.24 N ATOM 81 CA PRO A 7 -10.316 8.059 -12.748 1.00 31.24 C ATOM 82 C PRO A 7 -9.984 9.484 -12.318 1.00 20.44 C ATOM 83 O PRO A 7 -9.846 9.767 -11.127 1.00 70.04 O ATOM 84 CB PRO A 7 -11.799 7.761 -12.512 1.00 50.11 C ATOM 85 CG PRO A 7 -11.846 7.101 -11.177 1.00 44.13 C ATOM 86 CD PRO A 7 -10.567 6.318 -11.058 1.00 13.33 C ATOM 0 HA PRO A 7 -10.017 8.001 -13.794 1.00 31.24 H new ATOM 0 HB2 PRO A 7 -12.393 8.675 -12.523 1.00 50.11 H new ATOM 0 HB3 PRO A 7 -12.201 7.111 -13.289 1.00 50.11 H new ATOM 0 HG2 PRO A 7 -11.928 7.839 -10.379 1.00 44.13 H new ATOM 0 HG3 PRO A 7 -12.714 6.446 -11.095 1.00 44.13 H new ATOM 0 HD2 PRO A 7 -10.213 6.281 -10.028 1.00 13.33 H new ATOM 0 HD3 PRO A 7 -10.695 5.287 -11.389 1.00 13.33 H new ATOM 94 N TYR A 8 -9.857 10.376 -13.293 1.00 14.51 N ATOM 95 CA TYR A 8 -9.539 11.772 -13.015 1.00 54.00 C ATOM 96 C TYR A 8 -10.237 12.247 -11.744 1.00 24.12 C ATOM 97 O TYR A 8 -9.636 12.285 -10.670 1.00 42.41 O ATOM 98 CB TYR A 8 -9.949 12.655 -14.195 1.00 10.01 C ATOM 99 CG TYR A 8 -9.822 14.136 -13.916 1.00 32.41 C ATOM 100 CD1 TYR A 8 -10.944 14.911 -13.650 1.00 73.11 C ATOM 101 CD2 TYR A 8 -8.581 14.760 -13.919 1.00 62.51 C ATOM 102 CE1 TYR A 8 -10.833 16.264 -13.395 1.00 55.23 C ATOM 103 CE2 TYR A 8 -8.460 16.112 -13.664 1.00 34.21 C ATOM 104 CZ TYR A 8 -9.589 16.860 -13.403 1.00 34.21 C ATOM 105 OH TYR A 8 -9.474 18.207 -13.150 1.00 2.54 O ATOM 0 H TYR A 8 -9.969 10.158 -14.283 1.00 14.51 H new ATOM 0 HA TYR A 8 -8.462 11.850 -12.868 1.00 54.00 H new ATOM 0 HB2 TYR A 8 -9.333 12.402 -15.058 1.00 10.01 H new ATOM 0 HB3 TYR A 8 -10.981 12.432 -14.464 1.00 10.01 H new ATOM 0 HD1 TYR A 8 -11.920 14.448 -13.642 1.00 73.11 H new ATOM 0 HD2 TYR A 8 -7.695 14.178 -14.124 1.00 62.51 H new ATOM 0 HE1 TYR A 8 -11.715 16.852 -13.190 1.00 55.23 H new ATOM 0 HE2 TYR A 8 -7.487 16.581 -13.669 1.00 34.21 H new ATOM 0 HH TYR A 8 -8.530 18.468 -13.192 1.00 2.54 H new ATOM 115 N SER A 9 -11.509 12.607 -11.874 1.00 54.32 N ATOM 116 CA SER A 9 -12.289 13.083 -10.738 1.00 34.14 C ATOM 117 C SER A 9 -11.669 14.343 -10.142 1.00 62.00 C ATOM 118 O SER A 9 -10.652 14.280 -9.451 1.00 2.30 O ATOM 119 CB SER A 9 -12.387 11.994 -9.668 1.00 30.15 C ATOM 120 OG SER A 9 -13.609 11.285 -9.772 1.00 34.34 O ATOM 0 H SER A 9 -12.022 12.578 -12.755 1.00 54.32 H new ATOM 0 HA SER A 9 -13.291 13.325 -11.093 1.00 34.14 H new ATOM 0 HB2 SER A 9 -11.551 11.302 -9.772 1.00 30.15 H new ATOM 0 HB3 SER A 9 -12.307 12.444 -8.678 1.00 30.15 H new ATOM 0 HG SER A 9 -13.646 10.594 -9.078 1.00 34.34 H new ATOM 126 N ASP A 10 -12.288 15.486 -10.415 1.00 75.22 N ATOM 127 CA ASP A 10 -11.799 16.762 -9.906 1.00 62.33 C ATOM 128 C ASP A 10 -11.489 16.669 -8.415 1.00 52.34 C ATOM 129 O ASP A 10 -10.647 17.403 -7.900 1.00 4.22 O ATOM 130 CB ASP A 10 -12.828 17.865 -10.159 1.00 31.54 C ATOM 131 CG ASP A 10 -14.008 17.784 -9.210 1.00 23.32 C ATOM 132 OD1 ASP A 10 -13.891 18.288 -8.073 1.00 22.31 O ATOM 133 OD2 ASP A 10 -15.048 17.217 -9.604 1.00 51.22 O ATOM 0 H ASP A 10 -13.130 15.555 -10.986 1.00 75.22 H new ATOM 0 HA ASP A 10 -10.878 17.008 -10.435 1.00 62.33 H new ATOM 0 HB2 ASP A 10 -12.347 18.838 -10.054 1.00 31.54 H new ATOM 0 HB3 ASP A 10 -13.186 17.795 -11.186 1.00 31.54 H new ATOM 138 N ALA A 11 -12.177 15.763 -7.728 1.00 52.24 N ATOM 139 CA ALA A 11 -11.975 15.574 -6.297 1.00 50.33 C ATOM 140 C ALA A 11 -10.797 14.644 -6.027 1.00 51.23 C ATOM 141 O ALA A 11 -10.158 14.725 -4.979 1.00 2.30 O ATOM 142 CB ALA A 11 -13.240 15.027 -5.653 1.00 53.41 C ATOM 0 H ALA A 11 -12.879 15.148 -8.140 1.00 52.24 H new ATOM 0 HA ALA A 11 -11.747 16.544 -5.856 1.00 50.33 H new ATOM 0 HB1 ALA A 11 -13.075 14.891 -4.584 1.00 53.41 H new ATOM 0 HB2 ALA A 11 -14.059 15.729 -5.807 1.00 53.41 H new ATOM 0 HB3 ALA A 11 -13.494 14.069 -6.106 1.00 53.41 H new ATOM 148 N ALA A 12 -10.516 13.761 -6.980 1.00 34.24 N ATOM 149 CA ALA A 12 -9.414 12.816 -6.845 1.00 15.34 C ATOM 150 C ALA A 12 -8.113 13.413 -7.370 1.00 22.55 C ATOM 151 O ALA A 12 -7.032 13.110 -6.864 1.00 65.15 O ATOM 152 CB ALA A 12 -9.737 11.521 -7.576 1.00 3.43 C ATOM 0 H ALA A 12 -11.036 13.680 -7.854 1.00 34.24 H new ATOM 0 HA ALA A 12 -9.281 12.598 -5.785 1.00 15.34 H new ATOM 0 HB1 ALA A 12 -8.906 10.825 -7.467 1.00 3.43 H new ATOM 0 HB2 ALA A 12 -10.639 11.079 -7.152 1.00 3.43 H new ATOM 0 HB3 ALA A 12 -9.898 11.731 -8.633 1.00 3.43 H new ATOM 158 N PHE A 13 -8.224 14.261 -8.386 1.00 63.14 N ATOM 159 CA PHE A 13 -7.055 14.898 -8.981 1.00 42.51 C ATOM 160 C PHE A 13 -6.175 15.531 -7.907 1.00 1.11 C ATOM 161 O PHE A 13 -4.957 15.627 -8.062 1.00 21.02 O ATOM 162 CB PHE A 13 -7.487 15.961 -9.993 1.00 41.25 C ATOM 163 CG PHE A 13 -6.337 16.613 -10.707 1.00 23.53 C ATOM 164 CD1 PHE A 13 -5.942 17.900 -10.381 1.00 53.35 C ATOM 165 CD2 PHE A 13 -5.650 15.937 -11.703 1.00 12.11 C ATOM 166 CE1 PHE A 13 -4.884 18.503 -11.036 1.00 30.54 C ATOM 167 CE2 PHE A 13 -4.591 16.534 -12.360 1.00 61.10 C ATOM 168 CZ PHE A 13 -4.208 17.819 -12.027 1.00 32.41 C ATOM 0 H PHE A 13 -9.111 14.523 -8.815 1.00 63.14 H new ATOM 0 HA PHE A 13 -6.476 14.130 -9.495 1.00 42.51 H new ATOM 0 HB2 PHE A 13 -8.148 15.503 -10.729 1.00 41.25 H new ATOM 0 HB3 PHE A 13 -8.066 16.728 -9.478 1.00 41.25 H new ATOM 0 HD1 PHE A 13 -6.467 18.439 -9.606 1.00 53.35 H new ATOM 0 HD2 PHE A 13 -5.946 14.933 -11.969 1.00 12.11 H new ATOM 0 HE1 PHE A 13 -4.587 19.507 -10.773 1.00 30.54 H new ATOM 0 HE2 PHE A 13 -4.063 15.996 -13.134 1.00 61.10 H new ATOM 0 HZ PHE A 13 -3.382 18.288 -12.541 1.00 32.41 H new ATOM 178 N THR A 14 -6.801 15.963 -6.816 1.00 63.12 N ATOM 179 CA THR A 14 -6.077 16.588 -5.717 1.00 2.04 C ATOM 180 C THR A 14 -5.493 15.540 -4.776 1.00 70.23 C ATOM 181 O THR A 14 -4.429 15.742 -4.192 1.00 32.03 O ATOM 182 CB THR A 14 -6.987 17.534 -4.911 1.00 2.21 C ATOM 183 OG1 THR A 14 -8.121 16.816 -4.412 1.00 50.33 O ATOM 184 CG2 THR A 14 -7.455 18.698 -5.772 1.00 31.24 C ATOM 0 H THR A 14 -7.808 15.891 -6.671 1.00 63.12 H new ATOM 0 HA THR A 14 -5.266 17.166 -6.161 1.00 2.04 H new ATOM 0 HB THR A 14 -6.412 17.930 -4.074 1.00 2.21 H new ATOM 0 HG1 THR A 14 -8.694 17.424 -3.900 1.00 50.33 H new ATOM 0 HG21 THR A 14 -8.096 19.353 -5.182 1.00 31.24 H new ATOM 0 HG22 THR A 14 -6.590 19.260 -6.126 1.00 31.24 H new ATOM 0 HG23 THR A 14 -8.014 18.317 -6.626 1.00 31.24 H new ATOM 192 N GLN A 15 -6.196 14.420 -4.636 1.00 44.42 N ATOM 193 CA GLN A 15 -5.746 13.340 -3.766 1.00 5.40 C ATOM 194 C GLN A 15 -4.467 12.705 -4.303 1.00 54.14 C ATOM 195 O GLN A 15 -3.708 12.088 -3.557 1.00 11.10 O ATOM 196 CB GLN A 15 -6.838 12.279 -3.629 1.00 31.34 C ATOM 197 CG GLN A 15 -6.672 11.108 -4.584 1.00 32.11 C ATOM 198 CD GLN A 15 -5.774 10.022 -4.026 1.00 3.04 C ATOM 199 OE1 GLN A 15 -4.732 9.705 -4.601 1.00 74.03 O ATOM 200 NE2 GLN A 15 -6.172 9.445 -2.898 1.00 12.10 N ATOM 0 H GLN A 15 -7.079 14.237 -5.114 1.00 44.42 H new ATOM 0 HA GLN A 15 -5.535 13.763 -2.784 1.00 5.40 H new ATOM 0 HB2 GLN A 15 -6.843 11.904 -2.605 1.00 31.34 H new ATOM 0 HB3 GLN A 15 -7.808 12.744 -3.803 1.00 31.34 H new ATOM 0 HG2 GLN A 15 -7.651 10.685 -4.808 1.00 32.11 H new ATOM 0 HG3 GLN A 15 -6.258 11.468 -5.526 1.00 32.11 H new ATOM 0 HE21 GLN A 15 -7.043 9.738 -2.455 1.00 12.10 H new ATOM 0 HE22 GLN A 15 -5.607 8.709 -2.475 1.00 12.10 H new ATOM 209 N ALA A 16 -4.236 12.860 -5.603 1.00 14.41 N ATOM 210 CA ALA A 16 -3.050 12.303 -6.240 1.00 5.33 C ATOM 211 C ALA A 16 -1.812 13.132 -5.914 1.00 4.10 C ATOM 212 O ALA A 16 -0.742 12.586 -5.644 1.00 52.22 O ATOM 213 CB ALA A 16 -3.249 12.219 -7.746 1.00 31.33 C ATOM 0 H ALA A 16 -4.855 13.367 -6.235 1.00 14.41 H new ATOM 0 HA ALA A 16 -2.896 11.297 -5.849 1.00 5.33 H new ATOM 0 HB1 ALA A 16 -2.355 11.801 -8.208 1.00 31.33 H new ATOM 0 HB2 ALA A 16 -4.104 11.579 -7.965 1.00 31.33 H new ATOM 0 HB3 ALA A 16 -3.431 13.217 -8.145 1.00 31.33 H new ATOM 219 N GLN A 17 -1.965 14.452 -5.942 1.00 3.11 N ATOM 220 CA GLN A 17 -0.858 15.355 -5.651 1.00 3.32 C ATOM 221 C GLN A 17 -0.729 15.593 -4.150 1.00 34.13 C ATOM 222 O GLN A 17 0.331 15.982 -3.662 1.00 0.24 O ATOM 223 CB GLN A 17 -1.055 16.688 -6.375 1.00 52.10 C ATOM 224 CG GLN A 17 -0.069 17.764 -5.949 1.00 72.12 C ATOM 225 CD GLN A 17 -0.358 19.107 -6.590 1.00 12.01 C ATOM 226 OE1 GLN A 17 -0.326 20.144 -5.927 1.00 4.12 O ATOM 227 NE2 GLN A 17 -0.643 19.096 -7.887 1.00 31.52 N ATOM 0 H GLN A 17 -2.844 14.920 -6.163 1.00 3.11 H new ATOM 0 HA GLN A 17 0.061 14.888 -6.007 1.00 3.32 H new ATOM 0 HB2 GLN A 17 -0.961 16.526 -7.449 1.00 52.10 H new ATOM 0 HB3 GLN A 17 -2.069 17.044 -6.194 1.00 52.10 H new ATOM 0 HG2 GLN A 17 -0.098 17.869 -4.865 1.00 72.12 H new ATOM 0 HG3 GLN A 17 0.941 17.450 -6.212 1.00 72.12 H new ATOM 0 HE21 GLN A 17 -0.659 18.214 -8.398 1.00 31.52 H new ATOM 0 HE22 GLN A 17 -0.846 19.970 -8.372 1.00 31.52 H new ATOM 236 N ALA A 18 -1.817 15.356 -3.423 1.00 43.31 N ATOM 237 CA ALA A 18 -1.825 15.543 -1.978 1.00 0.05 C ATOM 238 C ALA A 18 -1.397 14.269 -1.257 1.00 34.10 C ATOM 239 O ALA A 18 -1.430 14.199 -0.028 1.00 62.55 O ATOM 240 CB ALA A 18 -3.206 15.978 -1.510 1.00 3.35 C ATOM 0 H ALA A 18 -2.703 15.034 -3.812 1.00 43.31 H new ATOM 0 HA ALA A 18 -1.107 16.326 -1.734 1.00 0.05 H new ATOM 0 HB1 ALA A 18 -3.198 16.114 -0.429 1.00 3.35 H new ATOM 0 HB2 ALA A 18 -3.474 16.918 -1.992 1.00 3.35 H new ATOM 0 HB3 ALA A 18 -3.937 15.214 -1.774 1.00 3.35 H new ATOM 246 N SER A 19 -0.997 13.264 -2.029 1.00 75.41 N ATOM 247 CA SER A 19 -0.568 11.990 -1.464 1.00 64.11 C ATOM 248 C SER A 19 0.954 11.876 -1.477 1.00 33.32 C ATOM 249 O SER A 19 1.517 10.885 -1.014 1.00 70.44 O ATOM 250 CB SER A 19 -1.184 10.828 -2.245 1.00 32.43 C ATOM 251 OG SER A 19 -2.294 10.281 -1.554 1.00 12.11 O ATOM 0 H SER A 19 -0.961 13.307 -3.047 1.00 75.41 H new ATOM 0 HA SER A 19 -0.910 11.945 -0.430 1.00 64.11 H new ATOM 0 HB2 SER A 19 -1.499 11.174 -3.230 1.00 32.43 H new ATOM 0 HB3 SER A 19 -0.433 10.054 -2.404 1.00 32.43 H new ATOM 0 HG SER A 19 -3.124 10.622 -1.947 1.00 12.11 H new ATOM 257 N GLY A 20 1.613 12.899 -2.011 1.00 4.43 N ATOM 258 CA GLY A 20 3.063 12.895 -2.075 1.00 2.35 C ATOM 259 C GLY A 20 3.609 11.669 -2.778 1.00 61.25 C ATOM 260 O GLY A 20 4.767 11.300 -2.588 1.00 24.41 O ATOM 0 H GLY A 20 1.169 13.731 -2.401 1.00 4.43 H new ATOM 0 HA2 GLY A 20 3.403 13.790 -2.596 1.00 2.35 H new ATOM 0 HA3 GLY A 20 3.468 12.941 -1.064 1.00 2.35 H new ATOM 264 N ALA A 21 2.772 11.035 -3.593 1.00 63.33 N ATOM 265 CA ALA A 21 3.178 9.843 -4.328 1.00 73.11 C ATOM 266 C ALA A 21 3.238 10.116 -5.827 1.00 43.31 C ATOM 267 O ALA A 21 2.697 11.104 -6.325 1.00 20.22 O ATOM 268 CB ALA A 21 2.224 8.694 -4.037 1.00 70.33 C ATOM 0 H ALA A 21 1.809 11.327 -3.761 1.00 63.33 H new ATOM 0 HA ALA A 21 4.178 9.564 -3.996 1.00 73.11 H new ATOM 0 HB1 ALA A 21 2.539 7.810 -4.592 1.00 70.33 H new ATOM 0 HB2 ALA A 21 2.234 8.474 -2.969 1.00 70.33 H new ATOM 0 HB3 ALA A 21 1.215 8.973 -4.341 1.00 70.33 H new ATOM 274 N PRO A 22 3.913 9.223 -6.566 1.00 33.43 N ATOM 275 CA PRO A 22 4.060 9.347 -8.019 1.00 20.41 C ATOM 276 C PRO A 22 2.746 9.112 -8.757 1.00 25.42 C ATOM 277 O PRO A 22 2.059 8.118 -8.520 1.00 14.52 O ATOM 278 CB PRO A 22 5.072 8.253 -8.367 1.00 63.44 C ATOM 279 CG PRO A 22 4.932 7.245 -7.279 1.00 14.53 C ATOM 280 CD PRO A 22 4.583 8.022 -6.039 1.00 30.20 C ATOM 0 HA PRO A 22 4.375 10.348 -8.313 1.00 20.41 H new ATOM 0 HB2 PRO A 22 4.861 7.814 -9.342 1.00 63.44 H new ATOM 0 HB3 PRO A 22 6.086 8.651 -8.409 1.00 63.44 H new ATOM 0 HG2 PRO A 22 4.154 6.519 -7.517 1.00 14.53 H new ATOM 0 HG3 PRO A 22 5.858 6.687 -7.142 1.00 14.53 H new ATOM 0 HD2 PRO A 22 3.928 7.453 -5.379 1.00 30.20 H new ATOM 0 HD3 PRO A 22 5.472 8.278 -5.462 1.00 30.20 H new ATOM 288 N VAL A 23 2.404 10.032 -9.653 1.00 73.51 N ATOM 289 CA VAL A 23 1.173 9.923 -10.427 1.00 51.42 C ATOM 290 C VAL A 23 1.318 10.596 -11.788 1.00 4.15 C ATOM 291 O VAL A 23 1.674 11.772 -11.876 1.00 42.11 O ATOM 292 CB VAL A 23 -0.017 10.554 -9.680 1.00 34.51 C ATOM 293 CG1 VAL A 23 -1.297 10.398 -10.487 1.00 14.51 C ATOM 294 CG2 VAL A 23 -0.169 9.932 -8.300 1.00 21.32 C ATOM 0 H VAL A 23 2.961 10.861 -9.861 1.00 73.51 H new ATOM 0 HA VAL A 23 0.982 8.859 -10.569 1.00 51.42 H new ATOM 0 HB VAL A 23 0.178 11.619 -9.555 1.00 34.51 H new ATOM 0 HG11 VAL A 23 -2.127 10.850 -9.944 1.00 14.51 H new ATOM 0 HG12 VAL A 23 -1.182 10.893 -11.451 1.00 14.51 H new ATOM 0 HG13 VAL A 23 -1.501 9.339 -10.645 1.00 14.51 H new ATOM 0 HG21 VAL A 23 -1.014 10.389 -7.786 1.00 21.32 H new ATOM 0 HG22 VAL A 23 -0.342 8.861 -8.401 1.00 21.32 H new ATOM 0 HG23 VAL A 23 0.740 10.100 -7.723 1.00 21.32 H new ATOM 304 N LEU A 24 1.041 9.843 -12.846 1.00 53.32 N ATOM 305 CA LEU A 24 1.140 10.367 -14.204 1.00 71.44 C ATOM 306 C LEU A 24 -0.234 10.759 -14.738 1.00 70.35 C ATOM 307 O LEU A 24 -1.249 10.174 -14.360 1.00 11.14 O ATOM 308 CB LEU A 24 1.781 9.328 -15.127 1.00 11.14 C ATOM 309 CG LEU A 24 0.816 8.489 -15.966 1.00 4.51 C ATOM 310 CD1 LEU A 24 0.494 9.196 -17.274 1.00 24.52 C ATOM 311 CD2 LEU A 24 1.402 7.110 -16.232 1.00 52.33 C ATOM 0 H LEU A 24 0.746 8.868 -12.790 1.00 53.32 H new ATOM 0 HA LEU A 24 1.767 11.258 -14.178 1.00 71.44 H new ATOM 0 HB2 LEU A 24 2.464 9.843 -15.802 1.00 11.14 H new ATOM 0 HB3 LEU A 24 2.383 8.653 -14.519 1.00 11.14 H new ATOM 0 HG LEU A 24 -0.111 8.366 -15.406 1.00 4.51 H new ATOM 0 HD11 LEU A 24 -0.194 8.585 -17.858 1.00 24.52 H new ATOM 0 HD12 LEU A 24 0.032 10.160 -17.062 1.00 24.52 H new ATOM 0 HD13 LEU A 24 1.413 9.350 -17.840 1.00 24.52 H new ATOM 0 HD21 LEU A 24 0.702 6.526 -16.830 1.00 52.33 H new ATOM 0 HD22 LEU A 24 2.343 7.213 -16.772 1.00 52.33 H new ATOM 0 HD23 LEU A 24 1.581 6.602 -15.284 1.00 52.33 H new ATOM 323 N VAL A 25 -0.258 11.751 -15.623 1.00 35.04 N ATOM 324 CA VAL A 25 -1.507 12.219 -16.212 1.00 51.20 C ATOM 325 C VAL A 25 -1.564 11.903 -17.702 1.00 40.03 C ATOM 326 O VAL A 25 -0.645 12.233 -18.453 1.00 34.32 O ATOM 327 CB VAL A 25 -1.688 13.736 -16.013 1.00 22.21 C ATOM 328 CG1 VAL A 25 -3.122 14.146 -16.310 1.00 41.51 C ATOM 329 CG2 VAL A 25 -1.291 14.138 -14.601 1.00 1.34 C ATOM 0 H VAL A 25 0.573 12.246 -15.947 1.00 35.04 H new ATOM 0 HA VAL A 25 -2.314 11.694 -15.701 1.00 51.20 H new ATOM 0 HB VAL A 25 -1.035 14.258 -16.712 1.00 22.21 H new ATOM 0 HG11 VAL A 25 -3.231 15.221 -16.164 1.00 41.51 H new ATOM 0 HG12 VAL A 25 -3.366 13.893 -17.342 1.00 41.51 H new ATOM 0 HG13 VAL A 25 -3.798 13.618 -15.637 1.00 41.51 H new ATOM 0 HG21 VAL A 25 -1.425 15.213 -14.477 1.00 1.34 H new ATOM 0 HG22 VAL A 25 -1.917 13.609 -13.882 1.00 1.34 H new ATOM 0 HG23 VAL A 25 -0.246 13.881 -14.430 1.00 1.34 H new ATOM 339 N ASP A 26 -2.648 11.262 -18.124 1.00 55.54 N ATOM 340 CA ASP A 26 -2.827 10.903 -19.526 1.00 62.54 C ATOM 341 C ASP A 26 -4.280 11.082 -19.953 1.00 35.53 C ATOM 342 O ASP A 26 -5.127 10.230 -19.682 1.00 13.03 O ATOM 343 CB ASP A 26 -2.387 9.457 -19.764 1.00 1.02 C ATOM 344 CG ASP A 26 -1.359 9.339 -20.872 1.00 4.35 C ATOM 345 OD1 ASP A 26 -1.759 9.101 -22.030 1.00 41.25 O ATOM 346 OD2 ASP A 26 -0.153 9.486 -20.580 1.00 15.13 O ATOM 0 H ASP A 26 -3.416 10.980 -17.515 1.00 55.54 H new ATOM 0 HA ASP A 26 -2.207 11.568 -20.127 1.00 62.54 H new ATOM 0 HB2 ASP A 26 -1.971 9.050 -18.842 1.00 1.02 H new ATOM 0 HB3 ASP A 26 -3.258 8.852 -20.015 1.00 1.02 H new ATOM 351 N VAL A 27 -4.563 12.196 -20.621 1.00 32.53 N ATOM 352 CA VAL A 27 -5.914 12.487 -21.085 1.00 33.33 C ATOM 353 C VAL A 27 -6.239 11.709 -22.355 1.00 22.41 C ATOM 354 O VAL A 27 -5.378 11.514 -23.213 1.00 41.45 O ATOM 355 CB VAL A 27 -6.103 13.991 -21.355 1.00 41.31 C ATOM 356 CG1 VAL A 27 -7.581 14.348 -21.384 1.00 33.33 C ATOM 357 CG2 VAL A 27 -5.367 14.816 -20.310 1.00 12.20 C ATOM 0 H VAL A 27 -3.874 12.912 -20.853 1.00 32.53 H new ATOM 0 HA VAL A 27 -6.594 12.180 -20.290 1.00 33.33 H new ATOM 0 HB VAL A 27 -5.680 14.223 -22.332 1.00 41.31 H new ATOM 0 HG11 VAL A 27 -7.694 15.415 -21.576 1.00 33.33 H new ATOM 0 HG12 VAL A 27 -8.076 13.783 -22.173 1.00 33.33 H new ATOM 0 HG13 VAL A 27 -8.034 14.102 -20.423 1.00 33.33 H new ATOM 0 HG21 VAL A 27 -5.511 15.877 -20.516 1.00 12.20 H new ATOM 0 HG22 VAL A 27 -5.758 14.582 -19.320 1.00 12.20 H new ATOM 0 HG23 VAL A 27 -4.303 14.581 -20.344 1.00 12.20 H new ATOM 367 N TYR A 28 -7.486 11.266 -22.468 1.00 70.23 N ATOM 368 CA TYR A 28 -7.925 10.507 -23.633 1.00 64.33 C ATOM 369 C TYR A 28 -9.266 11.022 -24.146 1.00 43.54 C ATOM 370 O TYR A 28 -10.171 11.314 -23.366 1.00 0.15 O ATOM 371 CB TYR A 28 -8.035 9.021 -23.288 1.00 34.21 C ATOM 372 CG TYR A 28 -7.049 8.151 -24.033 1.00 63.41 C ATOM 373 CD1 TYR A 28 -5.680 8.342 -23.893 1.00 4.03 C ATOM 374 CD2 TYR A 28 -7.485 7.138 -24.878 1.00 72.12 C ATOM 375 CE1 TYR A 28 -4.774 7.550 -24.572 1.00 72.00 C ATOM 376 CE2 TYR A 28 -6.587 6.340 -25.560 1.00 51.13 C ATOM 377 CZ TYR A 28 -5.233 6.550 -25.404 1.00 41.12 C ATOM 378 OH TYR A 28 -4.335 5.758 -26.083 1.00 51.50 O ATOM 0 H TYR A 28 -8.211 11.419 -21.767 1.00 70.23 H new ATOM 0 HA TYR A 28 -7.182 10.637 -24.420 1.00 64.33 H new ATOM 0 HB2 TYR A 28 -7.882 8.893 -22.216 1.00 34.21 H new ATOM 0 HB3 TYR A 28 -9.046 8.680 -23.508 1.00 34.21 H new ATOM 0 HD1 TYR A 28 -5.317 9.124 -23.242 1.00 4.03 H new ATOM 0 HD2 TYR A 28 -8.545 6.971 -25.004 1.00 72.12 H new ATOM 0 HE1 TYR A 28 -3.713 7.713 -24.452 1.00 72.00 H new ATOM 0 HE2 TYR A 28 -6.943 5.556 -26.212 1.00 51.13 H new ATOM 0 HH TYR A 28 -3.477 6.226 -26.158 1.00 51.50 H new ATOM 388 N ALA A 29 -9.385 11.132 -25.466 1.00 23.55 N ATOM 389 CA ALA A 29 -10.615 11.609 -26.085 1.00 1.14 C ATOM 390 C ALA A 29 -11.290 10.503 -26.889 1.00 44.43 C ATOM 391 O ALA A 29 -10.722 9.428 -27.081 1.00 73.23 O ATOM 392 CB ALA A 29 -10.327 12.810 -26.973 1.00 1.42 C ATOM 0 H ALA A 29 -8.644 10.897 -26.126 1.00 23.55 H new ATOM 0 HA ALA A 29 -11.298 11.913 -25.292 1.00 1.14 H new ATOM 0 HB1 ALA A 29 -11.255 13.156 -27.429 1.00 1.42 H new ATOM 0 HB2 ALA A 29 -9.897 13.612 -26.373 1.00 1.42 H new ATOM 0 HB3 ALA A 29 -9.623 12.524 -27.755 1.00 1.42 H new ATOM 398 N ASP A 30 -12.503 10.775 -27.357 1.00 31.33 N ATOM 399 CA ASP A 30 -13.255 9.802 -28.141 1.00 53.54 C ATOM 400 C ASP A 30 -12.433 9.308 -29.327 1.00 41.44 C ATOM 401 O ASP A 30 -12.376 8.109 -29.599 1.00 2.02 O ATOM 402 CB ASP A 30 -14.566 10.418 -28.635 1.00 21.45 C ATOM 403 CG ASP A 30 -15.784 9.703 -28.084 1.00 72.52 C ATOM 404 OD1 ASP A 30 -16.797 9.611 -28.810 1.00 0.15 O ATOM 405 OD2 ASP A 30 -15.725 9.234 -26.929 1.00 24.54 O ATOM 0 H ASP A 30 -12.986 11.661 -27.207 1.00 31.33 H new ATOM 0 HA ASP A 30 -13.481 8.951 -27.499 1.00 53.54 H new ATOM 0 HB2 ASP A 30 -14.603 11.468 -28.345 1.00 21.45 H new ATOM 0 HB3 ASP A 30 -14.591 10.387 -29.724 1.00 21.45 H new ATOM 410 N TRP A 31 -11.799 10.240 -30.030 1.00 52.12 N ATOM 411 CA TRP A 31 -10.981 9.899 -31.188 1.00 63.03 C ATOM 412 C TRP A 31 -10.165 11.101 -31.651 1.00 61.13 C ATOM 413 O TRP A 31 -10.166 11.445 -32.834 1.00 31.01 O ATOM 414 CB TRP A 31 -11.863 9.395 -32.331 1.00 71.15 C ATOM 415 CG TRP A 31 -11.116 8.579 -33.343 1.00 33.12 C ATOM 416 CD1 TRP A 31 -10.645 9.004 -34.552 1.00 75.34 C ATOM 417 CD2 TRP A 31 -10.757 7.198 -33.233 1.00 24.53 C ATOM 418 NE1 TRP A 31 -10.015 7.969 -35.201 1.00 3.32 N ATOM 419 CE2 TRP A 31 -10.068 6.851 -34.412 1.00 35.11 C ATOM 420 CE3 TRP A 31 -10.947 6.220 -32.252 1.00 41.30 C ATOM 421 CZ2 TRP A 31 -9.573 5.569 -34.635 1.00 21.03 C ATOM 422 CZ3 TRP A 31 -10.455 4.948 -32.475 1.00 3.42 C ATOM 423 CH2 TRP A 31 -9.774 4.632 -33.658 1.00 24.02 C ATOM 0 H TRP A 31 -11.836 11.237 -29.818 1.00 52.12 H new ATOM 0 HA TRP A 31 -10.292 9.107 -30.894 1.00 63.03 H new ATOM 0 HB2 TRP A 31 -12.673 8.795 -31.917 1.00 71.15 H new ATOM 0 HB3 TRP A 31 -12.321 10.249 -32.830 1.00 71.15 H new ATOM 0 HD1 TRP A 31 -10.752 10.006 -34.941 1.00 75.34 H new ATOM 0 HE1 TRP A 31 -9.579 8.025 -36.121 1.00 3.32 H new ATOM 0 HE3 TRP A 31 -11.469 6.455 -31.336 1.00 41.30 H new ATOM 0 HZ2 TRP A 31 -9.049 5.323 -35.547 1.00 21.03 H new ATOM 0 HZ3 TRP A 31 -10.598 4.185 -31.725 1.00 3.42 H new ATOM 0 HH2 TRP A 31 -9.400 3.629 -33.802 1.00 24.02 H new ATOM 434 N CYS A 32 -9.470 11.735 -30.714 1.00 1.22 N ATOM 435 CA CYS A 32 -8.650 12.900 -31.027 1.00 4.13 C ATOM 436 C CYS A 32 -7.303 12.477 -31.606 1.00 15.32 C ATOM 437 O CYS A 32 -6.874 11.332 -31.470 1.00 24.42 O ATOM 438 CB CYS A 32 -8.435 13.750 -29.774 1.00 10.24 C ATOM 439 SG CYS A 32 -9.671 15.049 -29.542 1.00 53.23 S ATOM 0 H CYS A 32 -9.458 11.462 -29.731 1.00 1.22 H new ATOM 0 HA CYS A 32 -9.176 13.494 -31.774 1.00 4.13 H new ATOM 0 HB2 CYS A 32 -8.440 13.098 -28.900 1.00 10.24 H new ATOM 0 HB3 CYS A 32 -7.447 14.208 -29.824 1.00 10.24 H new ATOM 0 HG CYS A 32 -9.670 15.432 -28.300 1.00 53.23 H new ATOM 445 N PRO A 33 -6.621 13.423 -32.269 1.00 74.45 N ATOM 446 CA PRO A 33 -5.314 13.171 -32.884 1.00 15.40 C ATOM 447 C PRO A 33 -4.216 12.968 -31.847 1.00 5.34 C ATOM 448 O PRO A 33 -3.212 12.306 -32.112 1.00 34.44 O ATOM 449 CB PRO A 33 -5.054 14.442 -33.697 1.00 15.34 C ATOM 450 CG PRO A 33 -5.852 15.499 -33.013 1.00 70.31 C ATOM 451 CD PRO A 33 -7.073 14.810 -32.471 1.00 34.55 C ATOM 0 HA PRO A 33 -5.313 12.259 -33.481 1.00 15.40 H new ATOM 0 HB2 PRO A 33 -3.993 14.693 -33.711 1.00 15.34 H new ATOM 0 HB3 PRO A 33 -5.366 14.319 -34.734 1.00 15.34 H new ATOM 0 HG2 PRO A 33 -5.278 15.964 -32.211 1.00 70.31 H new ATOM 0 HG3 PRO A 33 -6.128 16.292 -33.709 1.00 70.31 H new ATOM 0 HD2 PRO A 33 -7.409 15.263 -31.538 1.00 34.55 H new ATOM 0 HD3 PRO A 33 -7.908 14.863 -33.170 1.00 34.55 H new ATOM 459 N VAL A 34 -4.411 13.542 -30.664 1.00 11.53 N ATOM 460 CA VAL A 34 -3.437 13.423 -29.585 1.00 71.05 C ATOM 461 C VAL A 34 -3.453 12.023 -28.983 1.00 34.32 C ATOM 462 O VAL A 34 -2.403 11.450 -28.688 1.00 54.40 O ATOM 463 CB VAL A 34 -3.704 14.453 -28.471 1.00 61.54 C ATOM 464 CG1 VAL A 34 -3.484 15.867 -28.987 1.00 61.50 C ATOM 465 CG2 VAL A 34 -5.113 14.290 -27.922 1.00 72.34 C ATOM 0 H VAL A 34 -5.235 14.095 -30.428 1.00 11.53 H new ATOM 0 HA VAL A 34 -2.457 13.617 -30.020 1.00 71.05 H new ATOM 0 HB VAL A 34 -2.999 14.275 -27.659 1.00 61.54 H new ATOM 0 HG11 VAL A 34 -3.677 16.581 -28.186 1.00 61.50 H new ATOM 0 HG12 VAL A 34 -2.454 15.974 -29.328 1.00 61.50 H new ATOM 0 HG13 VAL A 34 -4.163 16.061 -29.818 1.00 61.50 H new ATOM 0 HG21 VAL A 34 -5.285 15.025 -27.136 1.00 72.34 H new ATOM 0 HG22 VAL A 34 -5.836 14.441 -28.724 1.00 72.34 H new ATOM 0 HG23 VAL A 34 -5.230 13.287 -27.512 1.00 72.34 H new ATOM 475 N CYS A 35 -4.651 11.476 -28.803 1.00 3.21 N ATOM 476 CA CYS A 35 -4.804 10.142 -28.235 1.00 34.44 C ATOM 477 C CYS A 35 -4.591 9.070 -29.299 1.00 21.25 C ATOM 478 O CYS A 35 -4.265 7.924 -28.985 1.00 53.53 O ATOM 479 CB CYS A 35 -6.192 9.988 -27.609 1.00 65.44 C ATOM 480 SG CYS A 35 -7.528 9.802 -28.814 1.00 25.35 S ATOM 0 H CYS A 35 -5.529 11.936 -29.042 1.00 3.21 H new ATOM 0 HA CYS A 35 -4.048 10.015 -27.461 1.00 34.44 H new ATOM 0 HB2 CYS A 35 -6.188 9.120 -26.950 1.00 65.44 H new ATOM 0 HB3 CYS A 35 -6.397 10.859 -26.987 1.00 65.44 H new ATOM 0 HG CYS A 35 -7.216 10.431 -29.908 1.00 25.35 H new ATOM 486 N LYS A 36 -4.778 9.449 -30.558 1.00 61.43 N ATOM 487 CA LYS A 36 -4.607 8.521 -31.670 1.00 44.01 C ATOM 488 C LYS A 36 -3.149 8.472 -32.118 1.00 54.13 C ATOM 489 O LYS A 36 -2.670 7.441 -32.590 1.00 43.13 O ATOM 490 CB LYS A 36 -5.499 8.930 -32.844 1.00 61.23 C ATOM 491 CG LYS A 36 -5.563 7.891 -33.950 1.00 62.42 C ATOM 492 CD LYS A 36 -4.702 8.287 -35.138 1.00 72.32 C ATOM 493 CE LYS A 36 -4.228 7.068 -35.914 1.00 70.42 C ATOM 494 NZ LYS A 36 -2.790 7.172 -36.287 1.00 52.33 N ATOM 0 H LYS A 36 -5.048 10.393 -30.835 1.00 61.43 H new ATOM 0 HA LYS A 36 -4.898 7.527 -31.330 1.00 44.01 H new ATOM 0 HB2 LYS A 36 -6.507 9.118 -32.475 1.00 61.23 H new ATOM 0 HB3 LYS A 36 -5.131 9.868 -33.259 1.00 61.23 H new ATOM 0 HG2 LYS A 36 -5.231 6.927 -33.564 1.00 62.42 H new ATOM 0 HG3 LYS A 36 -6.596 7.766 -34.274 1.00 62.42 H new ATOM 0 HD2 LYS A 36 -5.271 8.942 -35.799 1.00 72.32 H new ATOM 0 HD3 LYS A 36 -3.840 8.856 -34.790 1.00 72.32 H new ATOM 0 HE2 LYS A 36 -4.383 6.172 -35.313 1.00 70.42 H new ATOM 0 HE3 LYS A 36 -4.830 6.955 -36.816 1.00 70.42 H new ATOM 0 HZ1 LYS A 36 -2.506 6.322 -36.814 1.00 52.33 H new ATOM 0 HZ2 LYS A 36 -2.646 8.013 -36.882 1.00 52.33 H new ATOM 0 HZ3 LYS A 36 -2.213 7.254 -35.426 1.00 52.33 H new ATOM 508 N ARG A 37 -2.450 9.592 -31.966 1.00 53.01 N ATOM 509 CA ARG A 37 -1.048 9.676 -32.355 1.00 63.01 C ATOM 510 C ARG A 37 -0.138 9.253 -31.205 1.00 54.20 C ATOM 511 O ARG A 37 1.008 8.860 -31.420 1.00 52.45 O ATOM 512 CB ARG A 37 -0.703 11.100 -32.795 1.00 62.11 C ATOM 513 CG ARG A 37 0.730 11.259 -33.276 1.00 24.42 C ATOM 514 CD ARG A 37 0.980 10.472 -34.553 1.00 30.42 C ATOM 515 NE ARG A 37 2.312 10.720 -35.097 1.00 61.03 N ATOM 516 CZ ARG A 37 2.642 11.824 -35.759 1.00 35.31 C ATOM 517 NH1 ARG A 37 1.740 12.776 -35.956 1.00 45.14 N ATOM 518 NH2 ARG A 37 3.875 11.977 -36.224 1.00 72.20 N ATOM 0 H ARG A 37 -2.832 10.454 -31.576 1.00 53.01 H new ATOM 0 HA ARG A 37 -0.888 8.996 -33.191 1.00 63.01 H new ATOM 0 HB2 ARG A 37 -1.381 11.398 -33.595 1.00 62.11 H new ATOM 0 HB3 ARG A 37 -0.875 11.781 -31.961 1.00 62.11 H new ATOM 0 HG2 ARG A 37 0.941 12.314 -33.450 1.00 24.42 H new ATOM 0 HG3 ARG A 37 1.415 10.921 -32.499 1.00 24.42 H new ATOM 0 HD2 ARG A 37 0.863 9.407 -34.351 1.00 30.42 H new ATOM 0 HD3 ARG A 37 0.229 10.740 -35.297 1.00 30.42 H new ATOM 0 HE ARG A 37 3.029 10.007 -34.962 1.00 61.03 H new ATOM 0 HH11 ARG A 37 0.791 12.661 -35.599 1.00 45.14 H new ATOM 0 HH12 ARG A 37 1.995 13.623 -36.464 1.00 45.14 H new ATOM 0 HH21 ARG A 37 4.571 11.247 -36.074 1.00 72.20 H new ATOM 0 HH22 ARG A 37 4.127 12.825 -36.732 1.00 72.20 H new ATOM 532 N GLN A 38 -0.658 9.337 -29.985 1.00 12.43 N ATOM 533 CA GLN A 38 0.108 8.965 -28.801 1.00 73.33 C ATOM 534 C GLN A 38 0.092 7.453 -28.597 1.00 4.44 C ATOM 535 O GLN A 38 0.957 6.902 -27.917 1.00 34.55 O ATOM 536 CB GLN A 38 -0.454 9.665 -27.563 1.00 35.43 C ATOM 537 CG GLN A 38 0.172 9.193 -26.260 1.00 60.04 C ATOM 538 CD GLN A 38 -0.575 8.028 -25.642 1.00 20.12 C ATOM 539 OE1 GLN A 38 -1.601 7.587 -26.161 1.00 43.02 O ATOM 540 NE2 GLN A 38 -0.063 7.522 -24.526 1.00 35.13 N ATOM 0 H GLN A 38 -1.606 9.659 -29.790 1.00 12.43 H new ATOM 0 HA GLN A 38 1.140 9.283 -28.951 1.00 73.33 H new ATOM 0 HB2 GLN A 38 -0.300 10.739 -27.662 1.00 35.43 H new ATOM 0 HB3 GLN A 38 -1.531 9.500 -27.520 1.00 35.43 H new ATOM 0 HG2 GLN A 38 1.206 8.901 -26.443 1.00 60.04 H new ATOM 0 HG3 GLN A 38 0.196 10.021 -25.552 1.00 60.04 H new ATOM 0 HE21 GLN A 38 0.789 7.919 -24.130 1.00 35.13 H new ATOM 0 HE22 GLN A 38 -0.522 6.737 -24.064 1.00 35.13 H new ATOM 549 N GLU A 39 -0.896 6.791 -29.190 1.00 22.24 N ATOM 550 CA GLU A 39 -1.023 5.343 -29.071 1.00 12.15 C ATOM 551 C GLU A 39 0.226 4.642 -29.595 1.00 65.11 C ATOM 552 O GLU A 39 0.538 3.522 -29.191 1.00 63.42 O ATOM 553 CB GLU A 39 -2.255 4.853 -29.834 1.00 71.33 C ATOM 554 CG GLU A 39 -2.428 3.343 -29.805 1.00 53.42 C ATOM 555 CD GLU A 39 -3.743 2.895 -30.414 1.00 44.24 C ATOM 556 OE1 GLU A 39 -3.971 3.183 -31.608 1.00 71.21 O ATOM 557 OE2 GLU A 39 -4.542 2.257 -29.698 1.00 52.52 O ATOM 0 H GLU A 39 -1.619 7.233 -29.757 1.00 22.24 H new ATOM 0 HA GLU A 39 -1.138 5.100 -28.015 1.00 12.15 H new ATOM 0 HB2 GLU A 39 -3.144 5.320 -29.410 1.00 71.33 H new ATOM 0 HB3 GLU A 39 -2.185 5.182 -30.871 1.00 71.33 H new ATOM 0 HG2 GLU A 39 -1.604 2.876 -30.345 1.00 53.42 H new ATOM 0 HG3 GLU A 39 -2.372 2.994 -28.774 1.00 53.42 H new ATOM 564 N ARG A 40 0.937 5.310 -30.498 1.00 25.41 N ATOM 565 CA ARG A 40 2.152 4.751 -31.080 1.00 32.34 C ATOM 566 C ARG A 40 3.331 4.899 -30.123 1.00 21.34 C ATOM 567 O ARG A 40 4.259 4.090 -30.137 1.00 14.35 O ATOM 568 CB ARG A 40 2.470 5.439 -32.408 1.00 50.22 C ATOM 569 CG ARG A 40 3.031 6.843 -32.248 1.00 30.31 C ATOM 570 CD ARG A 40 4.551 6.834 -32.211 1.00 42.23 C ATOM 571 NE ARG A 40 5.132 6.999 -33.541 1.00 54.12 N ATOM 572 CZ ARG A 40 6.439 7.050 -33.771 1.00 71.34 C ATOM 573 NH1 ARG A 40 7.297 6.948 -32.766 1.00 11.23 N ATOM 574 NH2 ARG A 40 6.890 7.202 -35.010 1.00 24.41 N ATOM 0 H ARG A 40 0.693 6.239 -30.842 1.00 25.41 H new ATOM 0 HA ARG A 40 1.983 3.689 -31.260 1.00 32.34 H new ATOM 0 HB2 ARG A 40 3.187 4.831 -32.960 1.00 50.22 H new ATOM 0 HB3 ARG A 40 1.562 5.486 -33.010 1.00 50.22 H new ATOM 0 HG2 ARG A 40 2.690 7.469 -33.073 1.00 30.31 H new ATOM 0 HG3 ARG A 40 2.646 7.287 -31.330 1.00 30.31 H new ATOM 0 HD2 ARG A 40 4.902 7.635 -31.560 1.00 42.23 H new ATOM 0 HD3 ARG A 40 4.898 5.896 -31.778 1.00 42.23 H new ATOM 0 HE ARG A 40 4.499 7.079 -34.337 1.00 54.12 H new ATOM 0 HH11 ARG A 40 6.954 6.830 -31.813 1.00 11.23 H new ATOM 0 HH12 ARG A 40 8.300 6.988 -32.946 1.00 11.23 H new ATOM 0 HH21 ARG A 40 6.233 7.280 -35.786 1.00 24.41 H new ATOM 0 HH22 ARG A 40 7.894 7.241 -35.186 1.00 24.41 H new ATOM 588 N GLU A 41 3.287 5.937 -29.294 1.00 3.14 N ATOM 589 CA GLU A 41 4.353 6.191 -28.331 1.00 60.13 C ATOM 590 C GLU A 41 4.106 5.429 -27.032 1.00 61.04 C ATOM 591 O GLU A 41 4.893 5.516 -26.089 1.00 1.22 O ATOM 592 CB GLU A 41 4.464 7.690 -28.043 1.00 71.41 C ATOM 593 CG GLU A 41 5.180 8.468 -29.134 1.00 24.31 C ATOM 594 CD GLU A 41 5.938 9.665 -28.594 1.00 43.24 C ATOM 595 OE1 GLU A 41 5.369 10.399 -27.759 1.00 45.43 O ATOM 596 OE2 GLU A 41 7.099 9.868 -29.007 1.00 1.40 O ATOM 0 H GLU A 41 2.526 6.615 -29.270 1.00 3.14 H new ATOM 0 HA GLU A 41 5.290 5.841 -28.764 1.00 60.13 H new ATOM 0 HB2 GLU A 41 3.463 8.101 -27.912 1.00 71.41 H new ATOM 0 HB3 GLU A 41 4.993 7.832 -27.100 1.00 71.41 H new ATOM 0 HG2 GLU A 41 5.874 7.806 -29.651 1.00 24.31 H new ATOM 0 HG3 GLU A 41 4.452 8.806 -29.872 1.00 24.31 H new ATOM 603 N LEU A 42 3.008 4.683 -26.991 1.00 70.41 N ATOM 604 CA LEU A 42 2.656 3.905 -25.808 1.00 75.12 C ATOM 605 C LEU A 42 3.766 2.922 -25.452 1.00 61.22 C ATOM 606 O LEU A 42 3.814 2.398 -24.339 1.00 34.33 O ATOM 607 CB LEU A 42 1.346 3.150 -26.042 1.00 32.13 C ATOM 608 CG LEU A 42 1.481 1.698 -26.503 1.00 51.43 C ATOM 609 CD1 LEU A 42 0.113 1.044 -26.615 1.00 54.33 C ATOM 610 CD2 LEU A 42 2.218 1.628 -27.833 1.00 2.03 C ATOM 0 H LEU A 42 2.346 4.600 -27.763 1.00 70.41 H new ATOM 0 HA LEU A 42 2.527 4.595 -24.974 1.00 75.12 H new ATOM 0 HB2 LEU A 42 0.771 3.164 -25.116 1.00 32.13 H new ATOM 0 HB3 LEU A 42 0.764 3.694 -26.786 1.00 32.13 H new ATOM 0 HG LEU A 42 2.061 1.153 -25.759 1.00 51.43 H new ATOM 0 HD11 LEU A 42 0.229 0.011 -26.944 1.00 54.33 H new ATOM 0 HD12 LEU A 42 -0.379 1.062 -25.643 1.00 54.33 H new ATOM 0 HD13 LEU A 42 -0.493 1.589 -27.339 1.00 54.33 H new ATOM 0 HD21 LEU A 42 2.305 0.588 -28.146 1.00 2.03 H new ATOM 0 HD22 LEU A 42 1.664 2.188 -28.586 1.00 2.03 H new ATOM 0 HD23 LEU A 42 3.213 2.058 -27.720 1.00 2.03 H new ATOM 622 N THR A 43 4.660 2.677 -26.405 1.00 24.42 N ATOM 623 CA THR A 43 5.771 1.758 -26.192 1.00 64.30 C ATOM 624 C THR A 43 6.914 2.440 -25.449 1.00 24.42 C ATOM 625 O THR A 43 7.271 2.065 -24.331 1.00 40.54 O ATOM 626 CB THR A 43 6.302 1.200 -27.526 1.00 22.51 C ATOM 627 OG1 THR A 43 5.640 1.839 -28.623 1.00 4.42 O ATOM 628 CG2 THR A 43 6.089 -0.305 -27.606 1.00 42.42 C ATOM 0 H THR A 43 4.636 3.102 -27.332 1.00 24.42 H new ATOM 0 HA THR A 43 5.389 0.935 -25.588 1.00 64.30 H new ATOM 0 HB THR A 43 7.371 1.404 -27.579 1.00 22.51 H new ATOM 0 HG1 THR A 43 5.985 1.480 -29.467 1.00 4.42 H new ATOM 0 HG21 THR A 43 6.472 -0.677 -28.557 1.00 42.42 H new ATOM 0 HG22 THR A 43 6.618 -0.791 -26.787 1.00 42.42 H new ATOM 0 HG23 THR A 43 5.024 -0.526 -27.532 1.00 42.42 H new ATOM 636 N PRO A 44 7.504 3.465 -26.081 1.00 13.40 N ATOM 637 CA PRO A 44 8.615 4.222 -25.497 1.00 12.23 C ATOM 638 C PRO A 44 8.175 5.077 -24.313 1.00 20.21 C ATOM 639 O PRO A 44 8.979 5.408 -23.440 1.00 70.13 O ATOM 640 CB PRO A 44 9.085 5.110 -26.652 1.00 24.15 C ATOM 641 CG PRO A 44 7.889 5.259 -27.526 1.00 51.25 C ATOM 642 CD PRO A 44 7.130 3.966 -27.415 1.00 22.34 C ATOM 0 HA PRO A 44 9.391 3.567 -25.102 1.00 12.23 H new ATOM 0 HB2 PRO A 44 9.434 6.077 -26.291 1.00 24.15 H new ATOM 0 HB3 PRO A 44 9.915 4.652 -27.191 1.00 24.15 H new ATOM 0 HG2 PRO A 44 7.275 6.101 -27.206 1.00 51.25 H new ATOM 0 HG3 PRO A 44 8.182 5.452 -28.558 1.00 51.25 H new ATOM 0 HD2 PRO A 44 6.055 4.123 -27.499 1.00 22.34 H new ATOM 0 HD3 PRO A 44 7.412 3.266 -28.201 1.00 22.34 H new ATOM 650 N LEU A 45 6.895 5.431 -24.288 1.00 71.12 N ATOM 651 CA LEU A 45 6.348 6.247 -23.210 1.00 54.31 C ATOM 652 C LEU A 45 6.121 5.411 -21.955 1.00 31.21 C ATOM 653 O LEU A 45 6.090 5.937 -20.842 1.00 53.45 O ATOM 654 CB LEU A 45 5.033 6.894 -23.650 1.00 70.34 C ATOM 655 CG LEU A 45 4.510 8.024 -22.762 1.00 62.55 C ATOM 656 CD1 LEU A 45 4.327 9.298 -23.572 1.00 73.54 C ATOM 657 CD2 LEU A 45 3.202 7.618 -22.099 1.00 2.44 C ATOM 0 H LEU A 45 6.217 5.166 -25.002 1.00 71.12 H new ATOM 0 HA LEU A 45 7.071 7.029 -22.977 1.00 54.31 H new ATOM 0 HB2 LEU A 45 5.163 7.283 -24.660 1.00 70.34 H new ATOM 0 HB3 LEU A 45 4.270 6.118 -23.703 1.00 70.34 H new ATOM 0 HG LEU A 45 5.245 8.218 -21.981 1.00 62.55 H new ATOM 0 HD11 LEU A 45 3.954 10.091 -22.924 1.00 73.54 H new ATOM 0 HD12 LEU A 45 5.284 9.598 -23.999 1.00 73.54 H new ATOM 0 HD13 LEU A 45 3.611 9.119 -24.375 1.00 73.54 H new ATOM 0 HD21 LEU A 45 2.844 8.434 -21.471 1.00 2.44 H new ATOM 0 HD22 LEU A 45 2.459 7.397 -22.865 1.00 2.44 H new ATOM 0 HD23 LEU A 45 3.365 6.732 -21.485 1.00 2.44 H new ATOM 669 N PHE A 46 5.965 4.104 -22.141 1.00 41.30 N ATOM 670 CA PHE A 46 5.743 3.194 -21.024 1.00 14.14 C ATOM 671 C PHE A 46 6.938 2.265 -20.832 1.00 41.43 C ATOM 672 O PHE A 46 6.966 1.454 -19.908 1.00 35.15 O ATOM 673 CB PHE A 46 4.474 2.370 -21.254 1.00 41.12 C ATOM 674 CG PHE A 46 4.738 0.903 -21.442 1.00 11.40 C ATOM 675 CD1 PHE A 46 4.489 0.004 -20.418 1.00 15.44 C ATOM 676 CD2 PHE A 46 5.236 0.424 -22.643 1.00 31.22 C ATOM 677 CE1 PHE A 46 4.730 -1.346 -20.587 1.00 72.02 C ATOM 678 CE2 PHE A 46 5.479 -0.925 -22.818 1.00 73.43 C ATOM 679 CZ PHE A 46 5.227 -1.811 -21.789 1.00 34.21 C ATOM 0 H PHE A 46 5.988 3.652 -23.055 1.00 41.30 H new ATOM 0 HA PHE A 46 5.622 3.792 -20.121 1.00 14.14 H new ATOM 0 HB2 PHE A 46 3.804 2.505 -20.405 1.00 41.12 H new ATOM 0 HB3 PHE A 46 3.956 2.753 -22.133 1.00 41.12 H new ATOM 0 HD1 PHE A 46 4.102 0.363 -19.476 1.00 15.44 H new ATOM 0 HD2 PHE A 46 5.436 1.112 -23.451 1.00 31.22 H new ATOM 0 HE1 PHE A 46 4.530 -2.036 -19.781 1.00 72.02 H new ATOM 0 HE2 PHE A 46 5.866 -1.286 -23.759 1.00 73.43 H new ATOM 0 HZ PHE A 46 5.418 -2.865 -21.924 1.00 34.21 H new ATOM 689 N ALA A 47 7.924 2.391 -21.714 1.00 64.12 N ATOM 690 CA ALA A 47 9.123 1.565 -21.642 1.00 61.24 C ATOM 691 C ALA A 47 9.828 1.736 -20.301 1.00 62.22 C ATOM 692 O ALA A 47 10.641 0.900 -19.907 1.00 11.23 O ATOM 693 CB ALA A 47 10.068 1.906 -22.785 1.00 23.20 C ATOM 0 H ALA A 47 7.916 3.057 -22.487 1.00 64.12 H new ATOM 0 HA ALA A 47 8.821 0.522 -21.733 1.00 61.24 H new ATOM 0 HB1 ALA A 47 10.959 1.282 -22.719 1.00 23.20 H new ATOM 0 HB2 ALA A 47 9.568 1.725 -23.737 1.00 23.20 H new ATOM 0 HB3 ALA A 47 10.355 2.956 -22.719 1.00 23.20 H new ATOM 699 N GLN A 48 9.512 2.824 -19.606 1.00 71.40 N ATOM 700 CA GLN A 48 10.117 3.104 -18.309 1.00 61.24 C ATOM 701 C GLN A 48 9.207 2.648 -17.174 1.00 30.32 C ATOM 702 O GLN A 48 8.006 2.442 -17.352 1.00 63.04 O ATOM 703 CB GLN A 48 10.413 4.598 -18.173 1.00 55.51 C ATOM 704 CG GLN A 48 10.522 5.321 -19.506 1.00 53.11 C ATOM 705 CD GLN A 48 11.599 4.738 -20.399 1.00 43.52 C ATOM 706 OE1 GLN A 48 11.384 4.524 -21.593 1.00 10.35 O ATOM 707 NE2 GLN A 48 12.768 4.479 -19.825 1.00 20.41 N ATOM 0 H GLN A 48 8.841 3.526 -19.919 1.00 71.40 H new ATOM 0 HA GLN A 48 11.053 2.548 -18.245 1.00 61.24 H new ATOM 0 HB2 GLN A 48 9.626 5.063 -17.580 1.00 55.51 H new ATOM 0 HB3 GLN A 48 11.345 4.727 -17.622 1.00 55.51 H new ATOM 0 HG2 GLN A 48 9.563 5.272 -20.021 1.00 53.11 H new ATOM 0 HG3 GLN A 48 10.735 6.375 -19.327 1.00 53.11 H new ATOM 0 HE21 GLN A 48 12.903 4.672 -18.832 1.00 20.41 H new ATOM 0 HE22 GLN A 48 13.531 4.087 -20.377 1.00 20.41 H new ATOM 716 N PRO A 49 9.790 2.485 -15.977 1.00 32.22 N ATOM 717 CA PRO A 49 9.049 2.051 -14.788 1.00 43.23 C ATOM 718 C PRO A 49 8.086 3.120 -14.283 1.00 43.33 C ATOM 719 O PRO A 49 8.256 3.654 -13.188 1.00 0.33 O ATOM 720 CB PRO A 49 10.152 1.795 -13.758 1.00 35.44 C ATOM 721 CG PRO A 49 11.284 2.661 -14.190 1.00 14.21 C ATOM 722 CD PRO A 49 11.216 2.712 -15.691 1.00 64.23 C ATOM 0 HA PRO A 49 8.425 1.180 -14.991 1.00 43.23 H new ATOM 0 HB2 PRO A 49 9.820 2.050 -12.752 1.00 35.44 H new ATOM 0 HB3 PRO A 49 10.442 0.744 -13.741 1.00 35.44 H new ATOM 0 HG2 PRO A 49 11.197 3.659 -13.761 1.00 14.21 H new ATOM 0 HG3 PRO A 49 12.238 2.252 -13.856 1.00 14.21 H new ATOM 0 HD2 PRO A 49 11.555 3.674 -16.076 1.00 64.23 H new ATOM 0 HD3 PRO A 49 11.844 1.947 -16.148 1.00 64.23 H new ATOM 730 N ALA A 50 7.075 3.427 -15.089 1.00 41.51 N ATOM 731 CA ALA A 50 6.084 4.431 -14.722 1.00 54.02 C ATOM 732 C ALA A 50 4.843 3.782 -14.118 1.00 22.03 C ATOM 733 O ALA A 50 3.887 4.468 -13.756 1.00 62.44 O ATOM 734 CB ALA A 50 5.706 5.268 -15.936 1.00 33.25 C ATOM 0 H ALA A 50 6.921 2.995 -16.000 1.00 41.51 H new ATOM 0 HA ALA A 50 6.525 5.083 -13.968 1.00 54.02 H new ATOM 0 HB1 ALA A 50 4.965 6.014 -15.647 1.00 33.25 H new ATOM 0 HB2 ALA A 50 6.593 5.769 -16.323 1.00 33.25 H new ATOM 0 HB3 ALA A 50 5.288 4.622 -16.708 1.00 33.25 H new ATOM 740 N GLN A 51 4.866 2.457 -14.012 1.00 1.32 N ATOM 741 CA GLN A 51 3.742 1.717 -13.452 1.00 73.42 C ATOM 742 C GLN A 51 4.194 0.833 -12.295 1.00 22.34 C ATOM 743 O GLN A 51 3.380 0.391 -11.483 1.00 64.03 O ATOM 744 CB GLN A 51 3.078 0.862 -14.533 1.00 62.42 C ATOM 745 CG GLN A 51 4.017 -0.151 -15.169 1.00 33.20 C ATOM 746 CD GLN A 51 3.285 -1.357 -15.724 1.00 55.02 C ATOM 747 OE1 GLN A 51 2.803 -2.205 -14.973 1.00 31.40 O ATOM 748 NE2 GLN A 51 3.197 -1.439 -17.047 1.00 34.34 N ATOM 0 H GLN A 51 5.650 1.875 -14.306 1.00 1.32 H new ATOM 0 HA GLN A 51 3.018 2.438 -13.073 1.00 73.42 H new ATOM 0 HB2 GLN A 51 2.229 0.335 -14.097 1.00 62.42 H new ATOM 0 HB3 GLN A 51 2.682 1.516 -15.310 1.00 62.42 H new ATOM 0 HG2 GLN A 51 4.576 0.331 -15.971 1.00 33.20 H new ATOM 0 HG3 GLN A 51 4.745 -0.482 -14.428 1.00 33.20 H new ATOM 0 HE21 GLN A 51 3.611 -0.713 -17.632 1.00 34.34 H new ATOM 0 HE22 GLN A 51 2.715 -2.228 -17.478 1.00 34.34 H new ATOM 757 N ARG A 52 5.497 0.579 -12.225 1.00 32.52 N ATOM 758 CA ARG A 52 6.057 -0.254 -11.167 1.00 61.13 C ATOM 759 C ARG A 52 6.296 0.563 -9.901 1.00 32.11 C ATOM 760 O ARG A 52 6.055 0.089 -8.790 1.00 41.52 O ATOM 761 CB ARG A 52 7.369 -0.891 -11.631 1.00 54.31 C ATOM 762 CG ARG A 52 7.271 -1.564 -12.990 1.00 65.41 C ATOM 763 CD ARG A 52 8.640 -1.987 -13.501 1.00 72.14 C ATOM 764 NE ARG A 52 8.616 -2.313 -14.925 1.00 35.02 N ATOM 765 CZ ARG A 52 8.141 -3.456 -15.409 1.00 45.51 C ATOM 766 NH1 ARG A 52 7.654 -4.376 -14.588 1.00 45.04 N ATOM 767 NH2 ARG A 52 8.153 -3.679 -16.717 1.00 44.10 N ATOM 0 H ARG A 52 6.184 0.938 -12.888 1.00 32.52 H new ATOM 0 HA ARG A 52 5.338 -1.042 -10.940 1.00 61.13 H new ATOM 0 HB2 ARG A 52 8.142 -0.124 -11.670 1.00 54.31 H new ATOM 0 HB3 ARG A 52 7.687 -1.627 -10.892 1.00 54.31 H new ATOM 0 HG2 ARG A 52 6.622 -2.437 -12.919 1.00 65.41 H new ATOM 0 HG3 ARG A 52 6.810 -0.881 -13.703 1.00 65.41 H new ATOM 0 HD2 ARG A 52 9.356 -1.185 -13.325 1.00 72.14 H new ATOM 0 HD3 ARG A 52 8.986 -2.853 -12.937 1.00 72.14 H new ATOM 0 HE ARG A 52 8.984 -1.626 -15.583 1.00 35.02 H new ATOM 0 HH11 ARG A 52 7.643 -4.208 -13.582 1.00 45.04 H new ATOM 0 HH12 ARG A 52 7.290 -5.252 -14.962 1.00 45.04 H new ATOM 0 HH21 ARG A 52 8.527 -2.973 -17.351 1.00 44.10 H new ATOM 0 HH22 ARG A 52 7.788 -4.556 -17.088 1.00 44.10 H new ATOM 781 N ASP A 53 6.771 1.791 -10.076 1.00 54.13 N ATOM 782 CA ASP A 53 7.041 2.675 -8.948 1.00 65.51 C ATOM 783 C ASP A 53 6.311 4.004 -9.111 1.00 33.31 C ATOM 784 O ASP A 53 6.531 4.943 -8.346 1.00 0.44 O ATOM 785 CB ASP A 53 8.545 2.918 -8.813 1.00 44.33 C ATOM 786 CG ASP A 53 9.200 1.967 -7.831 1.00 3.52 C ATOM 787 OD1 ASP A 53 8.914 2.075 -6.620 1.00 34.12 O ATOM 788 OD2 ASP A 53 9.999 1.115 -8.273 1.00 12.42 O ATOM 0 H ASP A 53 6.977 2.197 -10.989 1.00 54.13 H new ATOM 0 HA ASP A 53 6.676 2.190 -8.043 1.00 65.51 H new ATOM 0 HB2 ASP A 53 9.017 2.809 -9.790 1.00 44.33 H new ATOM 0 HB3 ASP A 53 8.716 3.945 -8.489 1.00 44.33 H new ATOM 793 N LEU A 54 5.441 4.076 -10.113 1.00 23.13 N ATOM 794 CA LEU A 54 4.678 5.291 -10.377 1.00 62.33 C ATOM 795 C LEU A 54 3.235 4.958 -10.743 1.00 0.43 C ATOM 796 O LEU A 54 2.968 3.964 -11.417 1.00 64.33 O ATOM 797 CB LEU A 54 5.331 6.091 -11.506 1.00 33.10 C ATOM 798 CG LEU A 54 4.603 7.366 -11.932 1.00 40.42 C ATOM 799 CD1 LEU A 54 5.488 8.584 -11.715 1.00 63.23 C ATOM 800 CD2 LEU A 54 4.170 7.272 -13.388 1.00 12.21 C ATOM 0 H LEU A 54 5.247 3.308 -10.755 1.00 23.13 H new ATOM 0 HA LEU A 54 4.674 5.893 -9.469 1.00 62.33 H new ATOM 0 HB2 LEU A 54 6.341 6.359 -11.197 1.00 33.10 H new ATOM 0 HB3 LEU A 54 5.426 5.442 -12.377 1.00 33.10 H new ATOM 0 HG LEU A 54 3.711 7.476 -11.315 1.00 40.42 H new ATOM 0 HD11 LEU A 54 4.953 9.482 -12.024 1.00 63.23 H new ATOM 0 HD12 LEU A 54 5.748 8.661 -10.659 1.00 63.23 H new ATOM 0 HD13 LEU A 54 6.398 8.482 -12.306 1.00 63.23 H new ATOM 0 HD21 LEU A 54 3.653 8.188 -13.674 1.00 12.21 H new ATOM 0 HD22 LEU A 54 5.047 7.138 -14.021 1.00 12.21 H new ATOM 0 HD23 LEU A 54 3.499 6.423 -13.514 1.00 12.21 H new ATOM 812 N ARG A 55 2.308 5.799 -10.294 1.00 61.24 N ATOM 813 CA ARG A 55 0.892 5.595 -10.575 1.00 60.21 C ATOM 814 C ARG A 55 0.528 6.133 -11.956 1.00 4.02 C ATOM 815 O ARG A 55 1.119 7.103 -12.431 1.00 65.32 O ATOM 816 CB ARG A 55 0.035 6.278 -9.508 1.00 22.14 C ATOM 817 CG ARG A 55 0.342 5.815 -8.093 1.00 15.13 C ATOM 818 CD ARG A 55 -0.413 6.639 -7.061 1.00 53.13 C ATOM 819 NE ARG A 55 -0.860 5.827 -5.932 1.00 44.33 N ATOM 820 CZ ARG A 55 -1.280 6.338 -4.780 1.00 44.33 C ATOM 821 NH1 ARG A 55 -1.311 7.652 -4.606 1.00 43.32 N ATOM 822 NH2 ARG A 55 -1.670 5.534 -3.800 1.00 10.24 N ATOM 0 H ARG A 55 2.512 6.627 -9.735 1.00 61.24 H new ATOM 0 HA ARG A 55 0.695 4.523 -10.558 1.00 60.21 H new ATOM 0 HB2 ARG A 55 0.184 7.356 -9.569 1.00 22.14 H new ATOM 0 HB3 ARG A 55 -1.017 6.089 -9.723 1.00 22.14 H new ATOM 0 HG2 ARG A 55 0.075 4.764 -7.987 1.00 15.13 H new ATOM 0 HG3 ARG A 55 1.413 5.892 -7.908 1.00 15.13 H new ATOM 0 HD2 ARG A 55 0.229 7.442 -6.698 1.00 53.13 H new ATOM 0 HD3 ARG A 55 -1.276 7.109 -7.533 1.00 53.13 H new ATOM 0 HE ARG A 55 -0.849 4.812 -6.034 1.00 44.33 H new ATOM 0 HH11 ARG A 55 -1.012 8.273 -5.358 1.00 43.32 H new ATOM 0 HH12 ARG A 55 -1.634 8.042 -3.720 1.00 43.32 H new ATOM 0 HH21 ARG A 55 -1.648 4.523 -3.931 1.00 10.24 H new ATOM 0 HH22 ARG A 55 -1.992 5.927 -2.916 1.00 10.24 H new ATOM 836 N VAL A 56 -0.448 5.497 -12.595 1.00 71.30 N ATOM 837 CA VAL A 56 -0.891 5.911 -13.921 1.00 12.53 C ATOM 838 C VAL A 56 -2.391 6.184 -13.939 1.00 32.35 C ATOM 839 O VAL A 56 -3.201 5.257 -13.981 1.00 2.11 O ATOM 840 CB VAL A 56 -0.561 4.845 -14.982 1.00 35.01 C ATOM 841 CG1 VAL A 56 -0.799 3.449 -14.428 1.00 21.44 C ATOM 842 CG2 VAL A 56 -1.384 5.075 -16.241 1.00 22.31 C ATOM 0 H VAL A 56 -0.947 4.693 -12.216 1.00 71.30 H new ATOM 0 HA VAL A 56 -0.355 6.829 -14.161 1.00 12.53 H new ATOM 0 HB VAL A 56 0.494 4.931 -15.243 1.00 35.01 H new ATOM 0 HG11 VAL A 56 -0.561 2.709 -15.192 1.00 21.44 H new ATOM 0 HG12 VAL A 56 -0.163 3.290 -13.557 1.00 21.44 H new ATOM 0 HG13 VAL A 56 -1.844 3.346 -14.137 1.00 21.44 H new ATOM 0 HG21 VAL A 56 -1.138 4.313 -16.981 1.00 22.31 H new ATOM 0 HG22 VAL A 56 -2.445 5.016 -15.998 1.00 22.31 H new ATOM 0 HG23 VAL A 56 -1.159 6.061 -16.648 1.00 22.31 H new ATOM 852 N PHE A 57 -2.755 7.461 -13.906 1.00 55.34 N ATOM 853 CA PHE A 57 -4.159 7.857 -13.918 1.00 71.55 C ATOM 854 C PHE A 57 -4.549 8.438 -15.274 1.00 42.23 C ATOM 855 O PHE A 57 -3.750 9.110 -15.927 1.00 53.43 O ATOM 856 CB PHE A 57 -4.432 8.880 -12.814 1.00 72.13 C ATOM 857 CG PHE A 57 -4.827 10.233 -13.335 1.00 24.52 C ATOM 858 CD1 PHE A 57 -3.906 11.267 -13.380 1.00 54.41 C ATOM 859 CD2 PHE A 57 -6.118 10.469 -13.778 1.00 42.23 C ATOM 860 CE1 PHE A 57 -4.266 12.513 -13.859 1.00 0.22 C ATOM 861 CE2 PHE A 57 -6.483 11.713 -14.259 1.00 21.35 C ATOM 862 CZ PHE A 57 -5.556 12.736 -14.298 1.00 13.24 C ATOM 0 H PHE A 57 -2.098 8.240 -13.871 1.00 55.34 H new ATOM 0 HA PHE A 57 -4.763 6.968 -13.737 1.00 71.55 H new ATOM 0 HB2 PHE A 57 -5.225 8.503 -12.168 1.00 72.13 H new ATOM 0 HB3 PHE A 57 -3.540 8.983 -12.197 1.00 72.13 H new ATOM 0 HD1 PHE A 57 -2.896 11.098 -13.037 1.00 54.41 H new ATOM 0 HD2 PHE A 57 -6.847 9.673 -13.747 1.00 42.23 H new ATOM 0 HE1 PHE A 57 -3.539 13.311 -13.890 1.00 0.22 H new ATOM 0 HE2 PHE A 57 -7.492 11.884 -14.604 1.00 21.35 H new ATOM 0 HZ PHE A 57 -5.840 13.709 -14.671 1.00 13.24 H new ATOM 872 N LYS A 58 -5.782 8.174 -15.692 1.00 51.11 N ATOM 873 CA LYS A 58 -6.280 8.671 -16.969 1.00 75.43 C ATOM 874 C LYS A 58 -7.457 9.620 -16.763 1.00 24.34 C ATOM 875 O LYS A 58 -8.313 9.386 -15.910 1.00 54.00 O ATOM 876 CB LYS A 58 -6.705 7.503 -17.863 1.00 45.13 C ATOM 877 CG LYS A 58 -5.682 7.151 -18.930 1.00 1.12 C ATOM 878 CD LYS A 58 -4.866 5.930 -18.539 1.00 1.54 C ATOM 879 CE LYS A 58 -5.208 4.729 -19.407 1.00 12.52 C ATOM 880 NZ LYS A 58 -4.201 4.519 -20.484 1.00 35.54 N ATOM 0 H LYS A 58 -6.455 7.618 -15.165 1.00 51.11 H new ATOM 0 HA LYS A 58 -5.474 9.220 -17.456 1.00 75.43 H new ATOM 0 HB2 LYS A 58 -6.885 6.626 -17.241 1.00 45.13 H new ATOM 0 HB3 LYS A 58 -7.650 7.751 -18.345 1.00 45.13 H new ATOM 0 HG2 LYS A 58 -6.191 6.962 -19.875 1.00 1.12 H new ATOM 0 HG3 LYS A 58 -5.016 7.999 -19.091 1.00 1.12 H new ATOM 0 HD2 LYS A 58 -3.804 6.156 -18.632 1.00 1.54 H new ATOM 0 HD3 LYS A 58 -5.050 5.688 -17.492 1.00 1.54 H new ATOM 0 HE2 LYS A 58 -5.266 3.836 -18.785 1.00 12.52 H new ATOM 0 HE3 LYS A 58 -6.192 4.872 -19.853 1.00 12.52 H new ATOM 0 HZ1 LYS A 58 -4.469 3.691 -21.054 1.00 35.54 H new ATOM 0 HZ2 LYS A 58 -4.163 5.361 -21.093 1.00 35.54 H new ATOM 0 HZ3 LYS A 58 -3.266 4.358 -20.058 1.00 35.54 H new ATOM 894 N VAL A 59 -7.492 10.691 -17.549 1.00 73.42 N ATOM 895 CA VAL A 59 -8.565 11.674 -17.454 1.00 61.40 C ATOM 896 C VAL A 59 -9.330 11.782 -18.768 1.00 64.35 C ATOM 897 O VAL A 59 -8.811 12.294 -19.759 1.00 70.15 O ATOM 898 CB VAL A 59 -8.020 13.063 -17.074 1.00 15.42 C ATOM 899 CG1 VAL A 59 -6.769 13.385 -17.876 1.00 61.43 C ATOM 900 CG2 VAL A 59 -9.086 14.128 -17.284 1.00 13.34 C ATOM 0 H VAL A 59 -6.790 10.900 -18.259 1.00 73.42 H new ATOM 0 HA VAL A 59 -9.241 11.330 -16.671 1.00 61.40 H new ATOM 0 HB VAL A 59 -7.752 13.052 -16.018 1.00 15.42 H new ATOM 0 HG11 VAL A 59 -6.399 14.371 -17.593 1.00 61.43 H new ATOM 0 HG12 VAL A 59 -6.003 12.637 -17.671 1.00 61.43 H new ATOM 0 HG13 VAL A 59 -7.007 13.378 -18.940 1.00 61.43 H new ATOM 0 HG21 VAL A 59 -8.684 15.104 -17.011 1.00 13.34 H new ATOM 0 HG22 VAL A 59 -9.387 14.140 -18.332 1.00 13.34 H new ATOM 0 HG23 VAL A 59 -9.952 13.904 -16.660 1.00 13.34 H new ATOM 910 N ASN A 60 -10.567 11.296 -18.769 1.00 24.32 N ATOM 911 CA ASN A 60 -11.404 11.337 -19.962 1.00 40.51 C ATOM 912 C ASN A 60 -12.213 12.630 -20.014 1.00 45.23 C ATOM 913 O ASN A 60 -12.580 13.187 -18.980 1.00 11.42 O ATOM 914 CB ASN A 60 -12.346 10.132 -19.992 1.00 42.11 C ATOM 915 CG ASN A 60 -11.609 8.828 -20.230 1.00 2.23 C ATOM 916 OD1 ASN A 60 -10.403 8.820 -20.480 1.00 13.34 O ATOM 917 ND2 ASN A 60 -12.332 7.717 -20.153 1.00 12.33 N ATOM 0 H ASN A 60 -11.012 10.869 -17.956 1.00 24.32 H new ATOM 0 HA ASN A 60 -10.752 11.301 -20.834 1.00 40.51 H new ATOM 0 HB2 ASN A 60 -12.887 10.073 -19.047 1.00 42.11 H new ATOM 0 HB3 ASN A 60 -13.089 10.275 -20.776 1.00 42.11 H new ATOM 0 HD21 ASN A 60 -11.891 6.810 -20.304 1.00 12.33 H new ATOM 0 HD22 ASN A 60 -13.329 7.771 -19.943 1.00 12.33 H new ATOM 924 N PHE A 61 -12.487 13.102 -21.226 1.00 64.31 N ATOM 925 CA PHE A 61 -13.251 14.329 -21.414 1.00 54.00 C ATOM 926 C PHE A 61 -14.619 14.226 -20.745 1.00 21.51 C ATOM 927 O PHE A 61 -15.291 15.233 -20.522 1.00 61.25 O ATOM 928 CB PHE A 61 -13.422 14.626 -22.905 1.00 60.54 C ATOM 929 CG PHE A 61 -14.393 13.708 -23.592 1.00 21.22 C ATOM 930 CD1 PHE A 61 -14.030 12.410 -23.915 1.00 51.41 C ATOM 931 CD2 PHE A 61 -15.668 14.143 -23.914 1.00 53.02 C ATOM 932 CE1 PHE A 61 -14.921 11.563 -24.546 1.00 52.15 C ATOM 933 CE2 PHE A 61 -16.564 13.300 -24.545 1.00 42.31 C ATOM 934 CZ PHE A 61 -16.189 12.009 -24.863 1.00 14.23 C ATOM 0 H PHE A 61 -12.191 12.653 -22.093 1.00 64.31 H new ATOM 0 HA PHE A 61 -12.699 15.145 -20.949 1.00 54.00 H new ATOM 0 HB2 PHE A 61 -13.760 15.655 -23.026 1.00 60.54 H new ATOM 0 HB3 PHE A 61 -12.452 14.549 -23.396 1.00 60.54 H new ATOM 0 HD1 PHE A 61 -13.039 12.056 -23.671 1.00 51.41 H new ATOM 0 HD2 PHE A 61 -15.966 15.152 -23.669 1.00 53.02 H new ATOM 0 HE1 PHE A 61 -14.626 10.553 -24.791 1.00 52.15 H new ATOM 0 HE2 PHE A 61 -17.556 13.650 -24.789 1.00 42.31 H new ATOM 0 HZ PHE A 61 -16.886 11.350 -25.359 1.00 14.23 H new ATOM 944 N ASP A 62 -15.024 13.001 -20.427 1.00 60.12 N ATOM 945 CA ASP A 62 -16.311 12.764 -19.783 1.00 42.31 C ATOM 946 C ASP A 62 -16.244 13.099 -18.296 1.00 61.12 C ATOM 947 O ASP A 62 -17.271 13.292 -17.645 1.00 31.32 O ATOM 948 CB ASP A 62 -16.740 11.308 -19.972 1.00 43.41 C ATOM 949 CG ASP A 62 -16.660 10.865 -21.420 1.00 31.45 C ATOM 950 OD1 ASP A 62 -17.601 11.164 -22.185 1.00 5.40 O ATOM 951 OD2 ASP A 62 -15.657 10.218 -21.787 1.00 51.31 O ATOM 0 H ASP A 62 -14.480 12.157 -20.605 1.00 60.12 H new ATOM 0 HA ASP A 62 -17.049 13.415 -20.251 1.00 42.31 H new ATOM 0 HB2 ASP A 62 -16.107 10.663 -19.362 1.00 43.41 H new ATOM 0 HB3 ASP A 62 -17.762 11.184 -19.613 1.00 43.41 H new ATOM 956 N THR A 63 -15.027 13.166 -17.764 1.00 35.52 N ATOM 957 CA THR A 63 -14.826 13.474 -16.354 1.00 12.32 C ATOM 958 C THR A 63 -14.185 14.846 -16.177 1.00 53.25 C ATOM 959 O THR A 63 -14.317 15.472 -15.126 1.00 31.42 O ATOM 960 CB THR A 63 -13.943 12.416 -15.667 1.00 62.54 C ATOM 961 OG1 THR A 63 -14.342 11.103 -16.079 1.00 2.33 O ATOM 962 CG2 THR A 63 -14.039 12.529 -14.153 1.00 53.35 C ATOM 0 H THR A 63 -14.166 13.011 -18.289 1.00 35.52 H new ATOM 0 HA THR A 63 -15.811 13.472 -15.887 1.00 12.32 H new ATOM 0 HB THR A 63 -12.909 12.591 -15.963 1.00 62.54 H new ATOM 0 HG1 THR A 63 -13.775 10.436 -15.639 1.00 2.33 H new ATOM 0 HG21 THR A 63 -13.406 11.771 -13.691 1.00 53.35 H new ATOM 0 HG22 THR A 63 -13.707 13.519 -13.840 1.00 53.35 H new ATOM 0 HG23 THR A 63 -15.073 12.378 -13.842 1.00 53.35 H new ATOM 970 N GLN A 64 -13.492 15.308 -17.213 1.00 53.03 N ATOM 971 CA GLN A 64 -12.831 16.607 -17.171 1.00 71.13 C ATOM 972 C GLN A 64 -13.577 17.625 -18.027 1.00 42.34 C ATOM 973 O GLN A 64 -13.005 18.627 -18.459 1.00 15.02 O ATOM 974 CB GLN A 64 -11.384 16.482 -17.651 1.00 20.11 C ATOM 975 CG GLN A 64 -10.367 17.037 -16.667 1.00 22.21 C ATOM 976 CD GLN A 64 -9.006 17.259 -17.297 1.00 52.42 C ATOM 977 OE1 GLN A 64 -7.983 16.838 -16.758 1.00 22.41 O ATOM 978 NE2 GLN A 64 -8.987 17.925 -18.446 1.00 55.11 N ATOM 0 H GLN A 64 -13.374 14.802 -18.091 1.00 53.03 H new ATOM 0 HA GLN A 64 -12.835 16.956 -16.138 1.00 71.13 H new ATOM 0 HB2 GLN A 64 -11.161 15.431 -17.837 1.00 20.11 H new ATOM 0 HB3 GLN A 64 -11.279 17.004 -18.602 1.00 20.11 H new ATOM 0 HG2 GLN A 64 -10.735 17.981 -16.264 1.00 22.21 H new ATOM 0 HG3 GLN A 64 -10.267 16.349 -15.827 1.00 22.21 H new ATOM 0 HE21 GLN A 64 -9.859 18.256 -18.858 1.00 55.11 H new ATOM 0 HE22 GLN A 64 -8.100 18.105 -18.916 1.00 55.11 H new ATOM 987 N LYS A 65 -14.856 17.363 -18.270 1.00 74.45 N ATOM 988 CA LYS A 65 -15.682 18.256 -19.074 1.00 60.14 C ATOM 989 C LYS A 65 -15.663 19.672 -18.508 1.00 25.02 C ATOM 990 O LYS A 65 -16.008 20.631 -19.197 1.00 42.11 O ATOM 991 CB LYS A 65 -17.121 17.739 -19.133 1.00 71.45 C ATOM 992 CG LYS A 65 -17.675 17.640 -20.544 1.00 44.35 C ATOM 993 CD LYS A 65 -19.110 17.141 -20.547 1.00 1.41 C ATOM 994 CE LYS A 65 -19.184 15.660 -20.882 1.00 32.53 C ATOM 995 NZ LYS A 65 -20.110 14.931 -19.971 1.00 21.13 N ATOM 0 H LYS A 65 -15.344 16.538 -17.921 1.00 74.45 H new ATOM 0 HA LYS A 65 -15.270 18.281 -20.083 1.00 60.14 H new ATOM 0 HB2 LYS A 65 -17.164 16.756 -18.665 1.00 71.45 H new ATOM 0 HB3 LYS A 65 -17.760 18.399 -18.547 1.00 71.45 H new ATOM 0 HG2 LYS A 65 -17.628 18.618 -21.023 1.00 44.35 H new ATOM 0 HG3 LYS A 65 -17.053 16.966 -21.133 1.00 44.35 H new ATOM 0 HD2 LYS A 65 -19.560 17.317 -19.570 1.00 1.41 H new ATOM 0 HD3 LYS A 65 -19.692 17.709 -21.273 1.00 1.41 H new ATOM 0 HE2 LYS A 65 -19.517 15.537 -21.913 1.00 32.53 H new ATOM 0 HE3 LYS A 65 -18.188 15.222 -20.814 1.00 32.53 H new ATOM 0 HZ1 LYS A 65 -20.133 13.925 -20.232 1.00 21.13 H new ATOM 0 HZ2 LYS A 65 -19.779 15.027 -18.990 1.00 21.13 H new ATOM 0 HZ3 LYS A 65 -21.066 15.332 -20.054 1.00 21.13 H new ATOM 1009 N ALA A 66 -15.255 19.795 -17.249 1.00 12.13 N ATOM 1010 CA ALA A 66 -15.187 21.094 -16.591 1.00 54.33 C ATOM 1011 C ALA A 66 -13.857 21.783 -16.873 1.00 44.30 C ATOM 1012 O ALA A 66 -13.661 22.945 -16.517 1.00 62.13 O ATOM 1013 CB ALA A 66 -15.397 20.939 -15.092 1.00 64.23 C ATOM 0 H ALA A 66 -14.967 19.011 -16.664 1.00 12.13 H new ATOM 0 HA ALA A 66 -15.983 21.720 -16.995 1.00 54.33 H new ATOM 0 HB1 ALA A 66 -15.344 21.917 -14.614 1.00 64.23 H new ATOM 0 HB2 ALA A 66 -16.376 20.497 -14.906 1.00 64.23 H new ATOM 0 HB3 ALA A 66 -14.622 20.292 -14.681 1.00 64.23 H new ATOM 1019 N ALA A 67 -12.945 21.059 -17.513 1.00 45.14 N ATOM 1020 CA ALA A 67 -11.633 21.602 -17.844 1.00 24.43 C ATOM 1021 C ALA A 67 -11.684 22.416 -19.132 1.00 2.33 C ATOM 1022 O ALA A 67 -11.258 23.572 -19.165 1.00 70.31 O ATOM 1023 CB ALA A 67 -10.613 20.479 -17.967 1.00 71.02 C ATOM 0 H ALA A 67 -13.090 20.095 -17.813 1.00 45.14 H new ATOM 0 HA ALA A 67 -11.329 22.268 -17.037 1.00 24.43 H new ATOM 0 HB1 ALA A 67 -9.638 20.899 -18.214 1.00 71.02 H new ATOM 0 HB2 ALA A 67 -10.547 19.942 -17.021 1.00 71.02 H new ATOM 0 HB3 ALA A 67 -10.922 19.791 -18.754 1.00 71.02 H new ATOM 1029 N LEU A 68 -12.206 21.808 -20.191 1.00 35.24 N ATOM 1030 CA LEU A 68 -12.313 22.477 -21.483 1.00 2.05 C ATOM 1031 C LEU A 68 -13.527 23.400 -21.519 1.00 44.14 C ATOM 1032 O LEU A 68 -13.625 24.277 -22.377 1.00 43.11 O ATOM 1033 CB LEU A 68 -12.408 21.445 -22.607 1.00 75.24 C ATOM 1034 CG LEU A 68 -13.217 20.185 -22.295 1.00 63.12 C ATOM 1035 CD1 LEU A 68 -12.390 19.211 -21.469 1.00 53.52 C ATOM 1036 CD2 LEU A 68 -14.505 20.544 -21.569 1.00 22.13 C ATOM 0 H LEU A 68 -12.562 20.852 -20.181 1.00 35.24 H new ATOM 0 HA LEU A 68 -11.417 23.081 -21.628 1.00 2.05 H new ATOM 0 HB2 LEU A 68 -12.847 21.928 -23.480 1.00 75.24 H new ATOM 0 HB3 LEU A 68 -11.397 21.144 -22.884 1.00 75.24 H new ATOM 0 HG LEU A 68 -13.478 19.701 -23.236 1.00 63.12 H new ATOM 0 HD11 LEU A 68 -12.982 18.321 -21.256 1.00 53.52 H new ATOM 0 HD12 LEU A 68 -11.497 18.929 -22.026 1.00 53.52 H new ATOM 0 HD13 LEU A 68 -12.098 19.685 -20.532 1.00 53.52 H new ATOM 0 HD21 LEU A 68 -15.068 19.635 -21.355 1.00 22.13 H new ATOM 0 HD22 LEU A 68 -14.266 21.051 -20.634 1.00 22.13 H new ATOM 0 HD23 LEU A 68 -15.105 21.203 -22.197 1.00 22.13 H new ATOM 1048 N GLN A 69 -14.447 23.197 -20.582 1.00 63.10 N ATOM 1049 CA GLN A 69 -15.653 24.012 -20.507 1.00 52.41 C ATOM 1050 C GLN A 69 -15.398 25.290 -19.714 1.00 34.22 C ATOM 1051 O GLN A 69 -16.050 26.310 -19.937 1.00 20.42 O ATOM 1052 CB GLN A 69 -16.792 23.218 -19.865 1.00 51.15 C ATOM 1053 CG GLN A 69 -18.075 24.017 -19.702 1.00 43.51 C ATOM 1054 CD GLN A 69 -19.267 23.348 -20.357 1.00 41.30 C ATOM 1055 OE1 GLN A 69 -19.619 22.216 -20.024 1.00 5.21 O ATOM 1056 NE2 GLN A 69 -19.897 24.046 -21.295 1.00 3.42 N ATOM 0 H GLN A 69 -14.380 22.475 -19.864 1.00 63.10 H new ATOM 0 HA GLN A 69 -15.939 24.287 -21.522 1.00 52.41 H new ATOM 0 HB2 GLN A 69 -16.997 22.337 -20.473 1.00 51.15 H new ATOM 0 HB3 GLN A 69 -16.469 22.862 -18.887 1.00 51.15 H new ATOM 0 HG2 GLN A 69 -18.279 24.156 -18.640 1.00 43.51 H new ATOM 0 HG3 GLN A 69 -17.938 25.009 -20.133 1.00 43.51 H new ATOM 0 HE21 GLN A 69 -19.571 24.981 -21.540 1.00 3.42 H new ATOM 0 HE22 GLN A 69 -20.706 23.647 -21.770 1.00 3.42 H new ATOM 1065 N GLN A 70 -14.447 25.226 -18.788 1.00 32.54 N ATOM 1066 CA GLN A 70 -14.108 26.378 -17.961 1.00 21.53 C ATOM 1067 C GLN A 70 -12.960 27.171 -18.577 1.00 31.33 C ATOM 1068 O GLN A 70 -12.935 28.400 -18.510 1.00 74.24 O ATOM 1069 CB GLN A 70 -13.731 25.925 -16.549 1.00 1.11 C ATOM 1070 CG GLN A 70 -14.913 25.424 -15.735 1.00 23.13 C ATOM 1071 CD GLN A 70 -14.499 24.874 -14.384 1.00 34.31 C ATOM 1072 OE1 GLN A 70 -13.323 24.598 -14.146 1.00 50.34 O ATOM 1073 NE2 GLN A 70 -15.467 24.711 -13.490 1.00 33.54 N ATOM 0 H GLN A 70 -13.898 24.389 -18.592 1.00 32.54 H new ATOM 0 HA GLN A 70 -14.984 27.025 -17.906 1.00 21.53 H new ATOM 0 HB2 GLN A 70 -12.986 25.133 -16.617 1.00 1.11 H new ATOM 0 HB3 GLN A 70 -13.264 26.757 -16.022 1.00 1.11 H new ATOM 0 HG2 GLN A 70 -15.621 26.240 -15.590 1.00 23.13 H new ATOM 0 HG3 GLN A 70 -15.433 24.647 -16.296 1.00 23.13 H new ATOM 0 HE21 GLN A 70 -16.429 24.953 -13.730 1.00 33.54 H new ATOM 0 HE22 GLN A 70 -15.249 24.344 -12.564 1.00 33.54 H new ATOM 1082 N PHE A 71 -12.011 26.460 -19.176 1.00 24.43 N ATOM 1083 CA PHE A 71 -10.859 27.097 -19.803 1.00 3.23 C ATOM 1084 C PHE A 71 -11.085 27.277 -21.301 1.00 20.40 C ATOM 1085 O PHE A 71 -10.270 27.886 -21.994 1.00 14.30 O ATOM 1086 CB PHE A 71 -9.596 26.267 -19.562 1.00 1.41 C ATOM 1087 CG PHE A 71 -9.094 26.337 -18.148 1.00 64.31 C ATOM 1088 CD1 PHE A 71 -9.797 25.732 -17.119 1.00 22.03 C ATOM 1089 CD2 PHE A 71 -7.919 27.007 -17.848 1.00 64.04 C ATOM 1090 CE1 PHE A 71 -9.337 25.793 -15.817 1.00 12.55 C ATOM 1091 CE2 PHE A 71 -7.454 27.071 -16.548 1.00 41.44 C ATOM 1092 CZ PHE A 71 -8.165 26.465 -15.531 1.00 43.00 C ATOM 0 H PHE A 71 -12.017 25.442 -19.241 1.00 24.43 H new ATOM 0 HA PHE A 71 -10.730 28.081 -19.352 1.00 3.23 H new ATOM 0 HB2 PHE A 71 -9.800 25.227 -19.816 1.00 1.41 H new ATOM 0 HB3 PHE A 71 -8.811 26.611 -20.235 1.00 1.41 H new ATOM 0 HD1 PHE A 71 -10.715 25.207 -17.337 1.00 22.03 H new ATOM 0 HD2 PHE A 71 -7.360 27.485 -18.639 1.00 64.04 H new ATOM 0 HE1 PHE A 71 -9.894 25.316 -15.024 1.00 12.55 H new ATOM 0 HE2 PHE A 71 -6.535 27.594 -16.328 1.00 41.44 H new ATOM 0 HZ PHE A 71 -7.805 26.517 -14.514 1.00 43.00 H new ATOM 1102 N ARG A 72 -12.197 26.740 -21.794 1.00 3.33 N ATOM 1103 CA ARG A 72 -12.530 26.839 -23.210 1.00 11.04 C ATOM 1104 C ARG A 72 -11.458 26.175 -24.068 1.00 44.02 C ATOM 1105 O ARG A 72 -11.026 26.729 -25.079 1.00 60.24 O ATOM 1106 CB ARG A 72 -12.689 28.305 -23.617 1.00 33.01 C ATOM 1107 CG ARG A 72 -13.457 28.497 -24.914 1.00 73.45 C ATOM 1108 CD ARG A 72 -12.901 29.657 -25.725 1.00 31.11 C ATOM 1109 NE ARG A 72 -12.523 29.250 -27.076 1.00 33.24 N ATOM 1110 CZ ARG A 72 -11.914 30.052 -27.941 1.00 64.24 C ATOM 1111 NH1 ARG A 72 -11.614 31.297 -27.599 1.00 51.20 N ATOM 1112 NH2 ARG A 72 -11.602 29.608 -29.153 1.00 1.35 N ATOM 0 H ARG A 72 -12.882 26.232 -21.234 1.00 3.33 H new ATOM 0 HA ARG A 72 -13.474 26.320 -23.373 1.00 11.04 H new ATOM 0 HB2 ARG A 72 -13.201 28.841 -22.818 1.00 33.01 H new ATOM 0 HB3 ARG A 72 -11.701 28.754 -23.720 1.00 33.01 H new ATOM 0 HG2 ARG A 72 -13.409 27.582 -25.505 1.00 73.45 H new ATOM 0 HG3 ARG A 72 -14.509 28.678 -24.692 1.00 73.45 H new ATOM 0 HD2 ARG A 72 -13.646 30.450 -25.781 1.00 31.11 H new ATOM 0 HD3 ARG A 72 -12.032 30.072 -25.215 1.00 31.11 H new ATOM 0 HE ARG A 72 -12.739 28.298 -27.371 1.00 33.24 H new ATOM 0 HH11 ARG A 72 -11.851 31.642 -26.669 1.00 51.20 H new ATOM 0 HH12 ARG A 72 -11.146 31.910 -28.266 1.00 51.20 H new ATOM 0 HH21 ARG A 72 -11.830 28.650 -29.420 1.00 1.35 H new ATOM 0 HH22 ARG A 72 -11.134 30.225 -29.817 1.00 1.35 H new ATOM 1126 N VAL A 73 -11.031 24.985 -23.658 1.00 31.23 N ATOM 1127 CA VAL A 73 -10.010 24.245 -24.389 1.00 62.31 C ATOM 1128 C VAL A 73 -10.616 23.059 -25.131 1.00 22.42 C ATOM 1129 O VAL A 73 -11.836 22.938 -25.237 1.00 72.41 O ATOM 1130 CB VAL A 73 -8.903 23.736 -23.447 1.00 22.42 C ATOM 1131 CG1 VAL A 73 -7.537 23.876 -24.102 1.00 73.01 C ATOM 1132 CG2 VAL A 73 -8.947 24.482 -22.122 1.00 23.31 C ATOM 0 H VAL A 73 -11.377 24.513 -22.823 1.00 31.23 H new ATOM 0 HA VAL A 73 -9.574 24.936 -25.110 1.00 62.31 H new ATOM 0 HB VAL A 73 -9.077 22.678 -23.249 1.00 22.42 H new ATOM 0 HG11 VAL A 73 -6.768 23.511 -23.421 1.00 73.01 H new ATOM 0 HG12 VAL A 73 -7.513 23.292 -25.022 1.00 73.01 H new ATOM 0 HG13 VAL A 73 -7.350 24.925 -24.332 1.00 73.01 H new ATOM 0 HG21 VAL A 73 -8.158 24.110 -21.468 1.00 23.31 H new ATOM 0 HG22 VAL A 73 -8.799 25.547 -22.299 1.00 23.31 H new ATOM 0 HG23 VAL A 73 -9.916 24.324 -21.648 1.00 23.31 H new ATOM 1142 N SER A 74 -9.755 22.185 -25.642 1.00 64.22 N ATOM 1143 CA SER A 74 -10.205 21.009 -26.378 1.00 22.24 C ATOM 1144 C SER A 74 -9.017 20.171 -26.842 1.00 33.24 C ATOM 1145 O SER A 74 -8.643 20.202 -28.013 1.00 71.05 O ATOM 1146 CB SER A 74 -11.050 21.427 -27.582 1.00 51.12 C ATOM 1147 OG SER A 74 -10.630 22.682 -28.089 1.00 62.11 O ATOM 0 H SER A 74 -8.742 22.269 -25.560 1.00 64.22 H new ATOM 0 HA SER A 74 -10.815 20.403 -25.708 1.00 22.24 H new ATOM 0 HB2 SER A 74 -10.973 20.671 -28.364 1.00 51.12 H new ATOM 0 HB3 SER A 74 -12.099 21.481 -27.293 1.00 51.12 H new ATOM 0 HG SER A 74 -11.185 22.926 -28.859 1.00 62.11 H new ATOM 1153 N GLN A 75 -8.430 19.423 -25.913 1.00 30.01 N ATOM 1154 CA GLN A 75 -7.284 18.577 -26.226 1.00 75.11 C ATOM 1155 C GLN A 75 -6.999 17.604 -25.087 1.00 71.42 C ATOM 1156 O GLN A 75 -7.000 17.986 -23.917 1.00 62.15 O ATOM 1157 CB GLN A 75 -6.049 19.436 -26.500 1.00 41.11 C ATOM 1158 CG GLN A 75 -5.522 19.308 -27.920 1.00 65.11 C ATOM 1159 CD GLN A 75 -5.654 20.595 -28.710 1.00 70.12 C ATOM 1160 OE1 GLN A 75 -6.358 20.648 -29.719 1.00 60.21 O ATOM 1161 NE2 GLN A 75 -4.976 21.642 -28.255 1.00 12.03 N ATOM 0 H GLN A 75 -8.729 19.386 -24.938 1.00 30.01 H new ATOM 0 HA GLN A 75 -7.523 18.001 -27.120 1.00 75.11 H new ATOM 0 HB2 GLN A 75 -6.292 20.480 -26.304 1.00 41.11 H new ATOM 0 HB3 GLN A 75 -5.260 19.156 -25.802 1.00 41.11 H new ATOM 0 HG2 GLN A 75 -4.474 19.011 -27.889 1.00 65.11 H new ATOM 0 HG3 GLN A 75 -6.063 18.514 -28.434 1.00 65.11 H new ATOM 0 HE21 GLN A 75 -4.405 21.554 -27.415 1.00 12.03 H new ATOM 0 HE22 GLN A 75 -5.027 22.535 -28.746 1.00 12.03 H new ATOM 1170 N GLN A 76 -6.756 16.345 -25.438 1.00 72.20 N ATOM 1171 CA GLN A 76 -6.470 15.317 -24.444 1.00 74.11 C ATOM 1172 C GLN A 76 -5.060 14.764 -24.623 1.00 34.21 C ATOM 1173 O GLN A 76 -4.877 13.653 -25.121 1.00 53.21 O ATOM 1174 CB GLN A 76 -7.492 14.183 -24.544 1.00 53.00 C ATOM 1175 CG GLN A 76 -8.920 14.624 -24.262 1.00 64.23 C ATOM 1176 CD GLN A 76 -9.538 15.377 -25.424 1.00 22.12 C ATOM 1177 OE1 GLN A 76 -9.026 15.343 -26.543 1.00 51.23 O ATOM 1178 NE2 GLN A 76 -10.645 16.062 -25.163 1.00 50.12 N ATOM 0 H GLN A 76 -6.751 16.013 -26.402 1.00 72.20 H new ATOM 0 HA GLN A 76 -6.539 15.773 -23.456 1.00 74.11 H new ATOM 0 HB2 GLN A 76 -7.445 13.750 -25.543 1.00 53.00 H new ATOM 0 HB3 GLN A 76 -7.218 13.395 -23.842 1.00 53.00 H new ATOM 0 HG2 GLN A 76 -9.529 13.749 -24.036 1.00 64.23 H new ATOM 0 HG3 GLN A 76 -8.932 15.258 -23.375 1.00 64.23 H new ATOM 0 HE21 GLN A 76 -11.034 16.062 -24.220 1.00 50.12 H new ATOM 0 HE22 GLN A 76 -11.106 16.588 -25.905 1.00 50.12 H new ATOM 1187 N SER A 77 -4.067 15.546 -24.214 1.00 2.15 N ATOM 1188 CA SER A 77 -2.672 15.136 -24.332 1.00 55.14 C ATOM 1189 C SER A 77 -1.840 15.705 -23.188 1.00 25.02 C ATOM 1190 O SER A 77 -0.610 15.736 -23.254 1.00 31.45 O ATOM 1191 CB SER A 77 -2.097 15.594 -25.674 1.00 2.22 C ATOM 1192 OG SER A 77 -1.249 14.604 -26.230 1.00 11.12 O ATOM 0 H SER A 77 -4.202 16.467 -23.798 1.00 2.15 H new ATOM 0 HA SER A 77 -2.632 14.048 -24.280 1.00 55.14 H new ATOM 0 HB2 SER A 77 -2.910 15.811 -26.366 1.00 2.22 H new ATOM 0 HB3 SER A 77 -1.539 16.520 -25.537 1.00 2.22 H new ATOM 0 HG SER A 77 -1.024 14.847 -27.152 1.00 11.12 H new ATOM 1198 N THR A 78 -2.518 16.156 -22.137 1.00 73.52 N ATOM 1199 CA THR A 78 -1.843 16.725 -20.978 1.00 31.32 C ATOM 1200 C THR A 78 -1.141 15.643 -20.164 1.00 53.25 C ATOM 1201 O THR A 78 -1.619 14.511 -20.075 1.00 5.20 O ATOM 1202 CB THR A 78 -2.831 17.477 -20.066 1.00 4.20 C ATOM 1203 OG1 THR A 78 -3.452 16.562 -19.156 1.00 40.43 O ATOM 1204 CG2 THR A 78 -3.896 18.184 -20.890 1.00 15.15 C ATOM 0 H THR A 78 -3.535 16.138 -22.065 1.00 73.52 H new ATOM 0 HA THR A 78 -1.102 17.429 -21.358 1.00 31.32 H new ATOM 0 HB THR A 78 -2.274 18.226 -19.503 1.00 4.20 H new ATOM 0 HG1 THR A 78 -4.077 17.048 -18.579 1.00 40.43 H new ATOM 0 HG21 THR A 78 -4.582 18.708 -20.225 1.00 15.15 H new ATOM 0 HG22 THR A 78 -3.421 18.901 -21.560 1.00 15.15 H new ATOM 0 HG23 THR A 78 -4.449 17.450 -21.477 1.00 15.15 H new ATOM 1212 N LEU A 79 -0.006 15.998 -19.572 1.00 73.03 N ATOM 1213 CA LEU A 79 0.762 15.057 -18.764 1.00 71.05 C ATOM 1214 C LEU A 79 1.519 15.782 -17.656 1.00 74.12 C ATOM 1215 O LEU A 79 2.126 16.828 -17.887 1.00 72.15 O ATOM 1216 CB LEU A 79 1.743 14.281 -19.645 1.00 4.42 C ATOM 1217 CG LEU A 79 2.851 13.525 -18.910 1.00 52.12 C ATOM 1218 CD1 LEU A 79 3.915 14.490 -18.410 1.00 72.20 C ATOM 1219 CD2 LEU A 79 2.272 12.721 -17.755 1.00 51.21 C ATOM 0 H LEU A 79 0.403 16.930 -19.636 1.00 73.03 H new ATOM 0 HA LEU A 79 0.065 14.357 -18.304 1.00 71.05 H new ATOM 0 HB2 LEU A 79 1.177 13.566 -20.242 1.00 4.42 H new ATOM 0 HB3 LEU A 79 2.207 14.980 -20.341 1.00 4.42 H new ATOM 0 HG LEU A 79 3.318 12.833 -19.610 1.00 52.12 H new ATOM 0 HD11 LEU A 79 4.695 13.934 -17.890 1.00 72.20 H new ATOM 0 HD12 LEU A 79 4.351 15.021 -19.256 1.00 72.20 H new ATOM 0 HD13 LEU A 79 3.463 15.207 -17.725 1.00 72.20 H new ATOM 0 HD21 LEU A 79 3.074 12.190 -17.243 1.00 51.21 H new ATOM 0 HD22 LEU A 79 1.778 13.394 -17.054 1.00 51.21 H new ATOM 0 HD23 LEU A 79 1.548 12.002 -18.139 1.00 51.21 H new ATOM 1231 N ILE A 80 1.479 15.218 -16.454 1.00 3.44 N ATOM 1232 CA ILE A 80 2.164 15.810 -15.311 1.00 20.53 C ATOM 1233 C ILE A 80 2.532 14.747 -14.280 1.00 50.15 C ATOM 1234 O ILE A 80 1.658 14.119 -13.681 1.00 23.01 O ATOM 1235 CB ILE A 80 1.299 16.888 -14.632 1.00 41.45 C ATOM 1236 CG1 ILE A 80 1.209 18.132 -15.519 1.00 12.21 C ATOM 1237 CG2 ILE A 80 1.870 17.244 -13.268 1.00 12.12 C ATOM 1238 CD1 ILE A 80 0.000 18.140 -16.428 1.00 71.21 C ATOM 0 H ILE A 80 0.980 14.353 -16.246 1.00 3.44 H new ATOM 0 HA ILE A 80 3.073 16.273 -15.694 1.00 20.53 H new ATOM 0 HB ILE A 80 0.294 16.491 -14.490 1.00 41.45 H new ATOM 0 HG12 ILE A 80 1.183 19.019 -14.886 1.00 12.21 H new ATOM 0 HG13 ILE A 80 2.111 18.201 -16.127 1.00 12.21 H new ATOM 0 HG21 ILE A 80 1.247 18.007 -12.801 1.00 12.12 H new ATOM 0 HG22 ILE A 80 1.888 16.355 -12.638 1.00 12.12 H new ATOM 0 HG23 ILE A 80 2.884 17.626 -13.386 1.00 12.12 H new ATOM 0 HD11 ILE A 80 0.001 19.051 -17.027 1.00 71.21 H new ATOM 0 HD12 ILE A 80 0.034 17.272 -17.087 1.00 71.21 H new ATOM 0 HD13 ILE A 80 -0.908 18.103 -15.826 1.00 71.21 H new ATOM 1250 N LEU A 81 3.830 14.552 -14.078 1.00 63.00 N ATOM 1251 CA LEU A 81 4.315 13.566 -13.118 1.00 3.40 C ATOM 1252 C LEU A 81 4.621 14.220 -11.774 1.00 45.13 C ATOM 1253 O LEU A 81 5.647 14.883 -11.614 1.00 72.31 O ATOM 1254 CB LEU A 81 5.567 12.873 -13.658 1.00 22.23 C ATOM 1255 CG LEU A 81 5.595 11.349 -13.536 1.00 64.22 C ATOM 1256 CD1 LEU A 81 4.487 10.726 -14.371 1.00 41.20 C ATOM 1257 CD2 LEU A 81 6.953 10.805 -13.958 1.00 13.23 C ATOM 0 H LEU A 81 4.566 15.063 -14.566 1.00 63.00 H new ATOM 0 HA LEU A 81 3.531 12.823 -12.970 1.00 3.40 H new ATOM 0 HB2 LEU A 81 5.678 13.136 -14.710 1.00 22.23 H new ATOM 0 HB3 LEU A 81 6.435 13.275 -13.136 1.00 22.23 H new ATOM 0 HG LEU A 81 5.428 11.084 -12.492 1.00 64.22 H new ATOM 0 HD11 LEU A 81 4.523 9.641 -14.272 1.00 41.20 H new ATOM 0 HD12 LEU A 81 3.520 11.091 -14.023 1.00 41.20 H new ATOM 0 HD13 LEU A 81 4.623 10.999 -15.417 1.00 41.20 H new ATOM 0 HD21 LEU A 81 6.955 9.719 -13.865 1.00 13.23 H new ATOM 0 HD22 LEU A 81 7.149 11.081 -14.994 1.00 13.23 H new ATOM 0 HD23 LEU A 81 7.728 11.225 -13.318 1.00 13.23 H new ATOM 1269 N TYR A 82 3.727 14.027 -10.811 1.00 42.32 N ATOM 1270 CA TYR A 82 3.902 14.598 -9.481 1.00 14.21 C ATOM 1271 C TYR A 82 4.869 13.760 -8.651 1.00 2.11 C ATOM 1272 O TYR A 82 4.687 12.553 -8.496 1.00 35.51 O ATOM 1273 CB TYR A 82 2.553 14.699 -8.765 1.00 63.34 C ATOM 1274 CG TYR A 82 1.574 15.628 -9.446 1.00 42.14 C ATOM 1275 CD1 TYR A 82 0.347 15.162 -9.903 1.00 44.54 C ATOM 1276 CD2 TYR A 82 1.876 16.971 -9.634 1.00 1.21 C ATOM 1277 CE1 TYR A 82 -0.550 16.008 -10.527 1.00 32.42 C ATOM 1278 CE2 TYR A 82 0.984 17.824 -10.255 1.00 21.12 C ATOM 1279 CZ TYR A 82 -0.227 17.337 -10.700 1.00 14.53 C ATOM 1280 OH TYR A 82 -1.118 18.183 -11.320 1.00 51.40 O ATOM 0 H TYR A 82 2.874 13.480 -10.926 1.00 42.32 H new ATOM 0 HA TYR A 82 4.322 15.598 -9.595 1.00 14.21 H new ATOM 0 HB2 TYR A 82 2.111 13.705 -8.698 1.00 63.34 H new ATOM 0 HB3 TYR A 82 2.718 15.044 -7.744 1.00 63.34 H new ATOM 0 HD1 TYR A 82 0.090 14.122 -9.768 1.00 44.54 H new ATOM 0 HD2 TYR A 82 2.825 17.355 -9.289 1.00 1.21 H new ATOM 0 HE1 TYR A 82 -1.499 15.630 -10.877 1.00 32.42 H new ATOM 0 HE2 TYR A 82 1.234 18.866 -10.391 1.00 21.12 H new ATOM 0 HH TYR A 82 -1.996 17.752 -11.372 1.00 51.40 H new ATOM 1290 N ARG A 83 5.899 14.411 -8.119 1.00 31.50 N ATOM 1291 CA ARG A 83 6.896 13.727 -7.305 1.00 65.40 C ATOM 1292 C ARG A 83 6.942 14.311 -5.896 1.00 43.13 C ATOM 1293 O ARG A 83 7.575 15.340 -5.661 1.00 33.32 O ATOM 1294 CB ARG A 83 8.276 13.831 -7.957 1.00 64.11 C ATOM 1295 CG ARG A 83 9.084 12.545 -7.883 1.00 53.22 C ATOM 1296 CD ARG A 83 10.566 12.828 -7.699 1.00 44.33 C ATOM 1297 NE ARG A 83 11.229 11.789 -6.915 1.00 51.35 N ATOM 1298 CZ ARG A 83 12.515 11.826 -6.585 1.00 60.41 C ATOM 1299 NH1 ARG A 83 13.273 12.844 -6.968 1.00 72.22 N ATOM 1300 NH2 ARG A 83 13.045 10.842 -5.869 1.00 44.15 N ATOM 0 H ARG A 83 6.064 15.411 -8.237 1.00 31.50 H new ATOM 0 HA ARG A 83 6.613 12.677 -7.235 1.00 65.40 H new ATOM 0 HB2 ARG A 83 8.154 14.114 -9.003 1.00 64.11 H new ATOM 0 HB3 ARG A 83 8.837 14.631 -7.474 1.00 64.11 H new ATOM 0 HG2 ARG A 83 8.724 11.935 -7.055 1.00 53.22 H new ATOM 0 HG3 ARG A 83 8.933 11.966 -8.794 1.00 53.22 H new ATOM 0 HD2 ARG A 83 11.044 12.906 -8.675 1.00 44.33 H new ATOM 0 HD3 ARG A 83 10.692 13.791 -7.205 1.00 44.33 H new ATOM 0 HE ARG A 83 10.674 10.992 -6.604 1.00 51.35 H new ATOM 0 HH11 ARG A 83 12.869 13.602 -7.518 1.00 72.22 H new ATOM 0 HH12 ARG A 83 14.260 12.869 -6.713 1.00 72.22 H new ATOM 0 HH21 ARG A 83 12.465 10.057 -5.572 1.00 44.15 H new ATOM 0 HH22 ARG A 83 14.033 10.870 -5.616 1.00 44.15 H new ATOM 1314 N ASN A 84 6.267 13.648 -4.964 1.00 32.44 N ATOM 1315 CA ASN A 84 6.229 14.102 -3.578 1.00 65.12 C ATOM 1316 C ASN A 84 5.469 15.419 -3.458 1.00 32.10 C ATOM 1317 O ASN A 84 5.778 16.251 -2.606 1.00 34.22 O ATOM 1318 CB ASN A 84 7.650 14.269 -3.036 1.00 44.42 C ATOM 1319 CG ASN A 84 7.773 13.832 -1.589 1.00 74.44 C ATOM 1320 OD1 ASN A 84 8.693 13.099 -1.227 1.00 30.14 O ATOM 1321 ND2 ASN A 84 6.842 14.280 -0.755 1.00 72.11 N ATOM 0 H ASN A 84 5.738 12.794 -5.143 1.00 32.44 H new ATOM 0 HA ASN A 84 5.708 13.348 -2.988 1.00 65.12 H new ATOM 0 HB2 ASN A 84 8.340 13.688 -3.648 1.00 44.42 H new ATOM 0 HB3 ASN A 84 7.949 15.314 -3.124 1.00 44.42 H new ATOM 0 HD21 ASN A 84 6.871 14.018 0.230 1.00 72.11 H new ATOM 0 HD22 ASN A 84 6.097 14.886 -1.100 1.00 72.11 H new ATOM 1328 N GLY A 85 4.471 15.601 -4.318 1.00 62.22 N ATOM 1329 CA GLY A 85 3.681 16.818 -4.292 1.00 24.04 C ATOM 1330 C GLY A 85 4.338 17.952 -5.054 1.00 32.13 C ATOM 1331 O GLY A 85 4.156 19.121 -4.716 1.00 4.31 O ATOM 0 H GLY A 85 4.196 14.927 -5.032 1.00 62.22 H new ATOM 0 HA2 GLY A 85 2.698 16.619 -4.719 1.00 24.04 H new ATOM 0 HA3 GLY A 85 3.523 17.123 -3.258 1.00 24.04 H new ATOM 1335 N GLN A 86 5.104 17.606 -6.083 1.00 73.53 N ATOM 1336 CA GLN A 86 5.791 18.604 -6.893 1.00 42.14 C ATOM 1337 C GLN A 86 5.882 18.156 -8.348 1.00 43.03 C ATOM 1338 O GLN A 86 6.368 17.064 -8.641 1.00 45.45 O ATOM 1339 CB GLN A 86 7.193 18.864 -6.339 1.00 12.32 C ATOM 1340 CG GLN A 86 7.398 20.288 -5.847 1.00 31.02 C ATOM 1341 CD GLN A 86 8.656 20.443 -5.015 1.00 71.43 C ATOM 1342 OE1 GLN A 86 9.748 20.069 -5.445 1.00 52.41 O ATOM 1343 NE2 GLN A 86 8.510 20.996 -3.817 1.00 35.41 N ATOM 0 H GLN A 86 5.264 16.642 -6.375 1.00 73.53 H new ATOM 0 HA GLN A 86 5.214 19.528 -6.852 1.00 42.14 H new ATOM 0 HB2 GLN A 86 7.384 18.174 -5.517 1.00 12.32 H new ATOM 0 HB3 GLN A 86 7.927 18.647 -7.115 1.00 12.32 H new ATOM 0 HG2 GLN A 86 7.448 20.960 -6.703 1.00 31.02 H new ATOM 0 HG3 GLN A 86 6.535 20.591 -5.254 1.00 31.02 H new ATOM 0 HE21 GLN A 86 7.586 21.291 -3.501 1.00 35.41 H new ATOM 0 HE22 GLN A 86 9.321 21.126 -3.213 1.00 35.41 H new ATOM 1352 N GLU A 87 5.411 19.006 -9.255 1.00 11.30 N ATOM 1353 CA GLU A 87 5.439 18.696 -10.679 1.00 54.05 C ATOM 1354 C GLU A 87 6.842 18.882 -11.250 1.00 31.24 C ATOM 1355 O GLU A 87 7.377 19.991 -11.263 1.00 72.53 O ATOM 1356 CB GLU A 87 4.447 19.582 -11.437 1.00 3.25 C ATOM 1357 CG GLU A 87 4.668 21.069 -11.216 1.00 4.23 C ATOM 1358 CD GLU A 87 5.216 21.767 -12.446 1.00 22.53 C ATOM 1359 OE1 GLU A 87 6.106 22.629 -12.291 1.00 24.31 O ATOM 1360 OE2 GLU A 87 4.755 21.451 -13.562 1.00 61.33 O ATOM 0 H GLU A 87 5.006 19.914 -9.029 1.00 11.30 H new ATOM 0 HA GLU A 87 5.151 17.652 -10.802 1.00 54.05 H new ATOM 0 HB2 GLU A 87 4.521 19.367 -12.503 1.00 3.25 H new ATOM 0 HB3 GLU A 87 3.434 19.324 -11.129 1.00 3.25 H new ATOM 0 HG2 GLU A 87 3.725 21.534 -10.929 1.00 4.23 H new ATOM 0 HG3 GLU A 87 5.359 21.210 -10.385 1.00 4.23 H new ATOM 1367 N VAL A 88 7.433 17.788 -11.719 1.00 62.31 N ATOM 1368 CA VAL A 88 8.774 17.829 -12.291 1.00 33.21 C ATOM 1369 C VAL A 88 8.738 18.289 -13.744 1.00 14.32 C ATOM 1370 O VAL A 88 9.543 19.121 -14.162 1.00 53.50 O ATOM 1371 CB VAL A 88 9.458 16.451 -12.218 1.00 34.34 C ATOM 1372 CG1 VAL A 88 10.833 16.502 -12.866 1.00 74.51 C ATOM 1373 CG2 VAL A 88 9.557 15.982 -10.774 1.00 21.12 C ATOM 0 H VAL A 88 7.005 16.862 -11.714 1.00 62.31 H new ATOM 0 HA VAL A 88 9.348 18.543 -11.700 1.00 33.21 H new ATOM 0 HB VAL A 88 8.850 15.733 -12.769 1.00 34.34 H new ATOM 0 HG11 VAL A 88 11.301 15.519 -12.805 1.00 74.51 H new ATOM 0 HG12 VAL A 88 10.732 16.791 -13.912 1.00 74.51 H new ATOM 0 HG13 VAL A 88 11.453 17.232 -12.346 1.00 74.51 H new ATOM 0 HG21 VAL A 88 10.043 15.007 -10.741 1.00 21.12 H new ATOM 0 HG22 VAL A 88 10.142 16.699 -10.198 1.00 21.12 H new ATOM 0 HG23 VAL A 88 8.557 15.904 -10.347 1.00 21.12 H new ATOM 1383 N ARG A 89 7.798 17.743 -14.509 1.00 21.13 N ATOM 1384 CA ARG A 89 7.657 18.097 -15.916 1.00 1.11 C ATOM 1385 C ARG A 89 6.187 18.126 -16.325 1.00 22.14 C ATOM 1386 O ARG A 89 5.349 17.467 -15.709 1.00 53.24 O ATOM 1387 CB ARG A 89 8.422 17.104 -16.793 1.00 10.11 C ATOM 1388 CG ARG A 89 9.797 17.597 -17.215 1.00 14.14 C ATOM 1389 CD ARG A 89 9.701 18.859 -18.058 1.00 63.21 C ATOM 1390 NE ARG A 89 10.206 20.031 -17.348 1.00 44.04 N ATOM 1391 CZ ARG A 89 10.444 21.199 -17.934 1.00 55.34 C ATOM 1392 NH1 ARG A 89 10.222 21.350 -19.233 1.00 0.41 N ATOM 1393 NH2 ARG A 89 10.903 22.220 -17.221 1.00 73.42 N ATOM 0 H ARG A 89 7.123 17.054 -14.178 1.00 21.13 H new ATOM 0 HA ARG A 89 8.075 19.094 -16.058 1.00 1.11 H new ATOM 0 HB2 ARG A 89 8.533 16.164 -16.252 1.00 10.11 H new ATOM 0 HB3 ARG A 89 7.832 16.891 -17.685 1.00 10.11 H new ATOM 0 HG2 ARG A 89 10.402 17.794 -16.330 1.00 14.14 H new ATOM 0 HG3 ARG A 89 10.306 16.817 -17.781 1.00 14.14 H new ATOM 0 HD2 ARG A 89 10.266 18.723 -18.980 1.00 63.21 H new ATOM 0 HD3 ARG A 89 8.662 19.027 -18.342 1.00 63.21 H new ATOM 0 HE ARG A 89 10.386 19.948 -16.347 1.00 44.04 H new ATOM 0 HH11 ARG A 89 9.868 20.568 -19.784 1.00 0.41 H new ATOM 0 HH12 ARG A 89 10.406 22.248 -19.681 1.00 0.41 H new ATOM 0 HH21 ARG A 89 11.074 22.108 -16.222 1.00 73.42 H new ATOM 0 HH22 ARG A 89 11.085 23.116 -17.672 1.00 73.42 H new ATOM 1407 N ARG A 90 5.883 18.894 -17.366 1.00 32.23 N ATOM 1408 CA ARG A 90 4.515 19.010 -17.855 1.00 75.13 C ATOM 1409 C ARG A 90 4.494 19.483 -19.306 1.00 4.22 C ATOM 1410 O ARG A 90 5.345 20.269 -19.725 1.00 35.32 O ATOM 1411 CB ARG A 90 3.718 19.979 -16.980 1.00 54.13 C ATOM 1412 CG ARG A 90 4.228 21.410 -17.036 1.00 75.10 C ATOM 1413 CD ARG A 90 3.082 22.408 -17.096 1.00 74.34 C ATOM 1414 NE ARG A 90 2.557 22.720 -15.770 1.00 32.54 N ATOM 1415 CZ ARG A 90 1.353 23.239 -15.559 1.00 54.31 C ATOM 1416 NH1 ARG A 90 0.553 23.504 -16.583 1.00 32.31 N ATOM 1417 NH2 ARG A 90 0.946 23.495 -14.322 1.00 41.22 N ATOM 0 H ARG A 90 6.565 19.445 -17.887 1.00 32.23 H new ATOM 0 HA ARG A 90 4.054 18.024 -17.806 1.00 75.13 H new ATOM 0 HB2 ARG A 90 2.674 19.962 -17.292 1.00 54.13 H new ATOM 0 HB3 ARG A 90 3.748 19.632 -15.947 1.00 54.13 H new ATOM 0 HG2 ARG A 90 4.843 21.613 -16.159 1.00 75.10 H new ATOM 0 HG3 ARG A 90 4.867 21.536 -17.910 1.00 75.10 H new ATOM 0 HD2 ARG A 90 3.425 23.325 -17.575 1.00 74.34 H new ATOM 0 HD3 ARG A 90 2.282 22.004 -17.717 1.00 74.34 H new ATOM 0 HE ARG A 90 3.148 22.529 -14.961 1.00 32.54 H new ATOM 0 HH11 ARG A 90 0.862 23.309 -17.535 1.00 32.31 H new ATOM 0 HH12 ARG A 90 -0.371 23.903 -16.418 1.00 32.31 H new ATOM 0 HH21 ARG A 90 1.558 23.293 -13.532 1.00 41.22 H new ATOM 0 HH22 ARG A 90 0.021 23.894 -14.162 1.00 41.22 H new ATOM 1431 N SER A 91 3.518 18.999 -20.067 1.00 43.33 N ATOM 1432 CA SER A 91 3.390 19.369 -21.472 1.00 11.20 C ATOM 1433 C SER A 91 1.999 19.030 -21.998 1.00 74.31 C ATOM 1434 O SER A 91 1.308 18.171 -21.449 1.00 22.41 O ATOM 1435 CB SER A 91 4.452 18.654 -22.309 1.00 5.32 C ATOM 1436 OG SER A 91 4.797 19.415 -23.454 1.00 30.03 O ATOM 0 H SER A 91 2.805 18.350 -19.735 1.00 43.33 H new ATOM 0 HA SER A 91 3.538 20.446 -21.553 1.00 11.20 H new ATOM 0 HB2 SER A 91 5.341 18.480 -21.703 1.00 5.32 H new ATOM 0 HB3 SER A 91 4.080 17.677 -22.617 1.00 5.32 H new ATOM 0 HG SER A 91 4.169 20.161 -23.553 1.00 30.03 H new ATOM 1442 N ILE A 92 1.594 19.710 -23.065 1.00 43.23 N ATOM 1443 CA ILE A 92 0.287 19.481 -23.667 1.00 34.33 C ATOM 1444 C ILE A 92 0.331 19.693 -25.176 1.00 53.41 C ATOM 1445 O ILE A 92 1.141 20.470 -25.681 1.00 31.53 O ATOM 1446 CB ILE A 92 -0.783 20.408 -23.060 1.00 2.11 C ATOM 1447 CG1 ILE A 92 -2.179 19.980 -23.516 1.00 70.33 C ATOM 1448 CG2 ILE A 92 -0.513 21.854 -23.449 1.00 63.21 C ATOM 1449 CD1 ILE A 92 -3.297 20.735 -22.832 1.00 3.12 C ATOM 0 H ILE A 92 2.153 20.425 -23.531 1.00 43.23 H new ATOM 0 HA ILE A 92 0.020 18.445 -23.456 1.00 34.33 H new ATOM 0 HB ILE A 92 -0.737 20.329 -21.974 1.00 2.11 H new ATOM 0 HG12 ILE A 92 -2.260 20.124 -24.593 1.00 70.33 H new ATOM 0 HG13 ILE A 92 -2.303 18.914 -23.327 1.00 70.33 H new ATOM 0 HG21 ILE A 92 -1.277 22.497 -23.013 1.00 63.21 H new ATOM 0 HG22 ILE A 92 0.468 22.153 -23.079 1.00 63.21 H new ATOM 0 HG23 ILE A 92 -0.535 21.949 -24.535 1.00 63.21 H new ATOM 0 HD11 ILE A 92 -4.258 20.379 -23.205 1.00 3.12 H new ATOM 0 HD12 ILE A 92 -3.242 20.571 -21.756 1.00 3.12 H new ATOM 0 HD13 ILE A 92 -3.199 21.800 -23.042 1.00 3.12 H new ATOM 1461 N GLY A 93 -0.549 18.999 -25.892 1.00 44.12 N ATOM 1462 CA GLY A 93 -0.595 19.127 -27.337 1.00 43.10 C ATOM 1463 C GLY A 93 0.458 18.283 -28.028 1.00 0.12 C ATOM 1464 O GLY A 93 1.165 18.764 -28.912 1.00 44.12 O ATOM 0 H GLY A 93 -1.230 18.351 -25.497 1.00 44.12 H new ATOM 0 HA2 GLY A 93 -1.582 18.834 -27.693 1.00 43.10 H new ATOM 0 HA3 GLY A 93 -0.455 20.173 -27.611 1.00 43.10 H new ATOM 1468 N GLU A 94 0.563 17.021 -27.622 1.00 11.51 N ATOM 1469 CA GLU A 94 1.539 16.110 -28.207 1.00 44.20 C ATOM 1470 C GLU A 94 2.962 16.582 -27.923 1.00 25.03 C ATOM 1471 O GLU A 94 3.405 17.607 -28.443 1.00 23.32 O ATOM 1472 CB GLU A 94 1.321 15.994 -29.717 1.00 51.10 C ATOM 1473 CG GLU A 94 2.117 14.873 -30.363 1.00 21.32 C ATOM 1474 CD GLU A 94 2.610 15.231 -31.751 1.00 54.44 C ATOM 1475 OE1 GLU A 94 3.831 15.133 -31.991 1.00 25.14 O ATOM 1476 OE2 GLU A 94 1.774 15.611 -32.598 1.00 61.22 O ATOM 0 H GLU A 94 -0.016 16.607 -26.891 1.00 11.51 H new ATOM 0 HA GLU A 94 1.401 15.130 -27.751 1.00 44.20 H new ATOM 0 HB2 GLU A 94 0.260 15.834 -29.911 1.00 51.10 H new ATOM 0 HB3 GLU A 94 1.592 16.939 -30.188 1.00 51.10 H new ATOM 0 HG2 GLU A 94 2.970 14.628 -29.731 1.00 21.32 H new ATOM 0 HG3 GLU A 94 1.496 13.979 -30.422 1.00 21.32 H new ATOM 1483 N THR A 95 3.675 15.827 -27.092 1.00 63.04 N ATOM 1484 CA THR A 95 5.047 16.167 -26.737 1.00 10.43 C ATOM 1485 C THR A 95 5.842 14.923 -26.358 1.00 34.04 C ATOM 1486 O THR A 95 5.337 13.803 -26.442 1.00 4.20 O ATOM 1487 CB THR A 95 5.092 17.168 -25.566 1.00 61.32 C ATOM 1488 OG1 THR A 95 3.761 17.514 -25.166 1.00 65.11 O ATOM 1489 CG2 THR A 95 5.853 18.426 -25.958 1.00 74.54 C ATOM 0 H THR A 95 3.324 14.976 -26.652 1.00 63.04 H new ATOM 0 HA THR A 95 5.496 16.627 -27.617 1.00 10.43 H new ATOM 0 HB THR A 95 5.610 16.695 -24.732 1.00 61.32 H new ATOM 0 HG1 THR A 95 3.784 18.330 -24.624 1.00 65.11 H new ATOM 0 HG21 THR A 95 5.871 19.117 -25.116 1.00 74.54 H new ATOM 0 HG22 THR A 95 6.874 18.163 -26.234 1.00 74.54 H new ATOM 0 HG23 THR A 95 5.359 18.900 -26.806 1.00 74.54 H new ATOM 1497 N SER A 96 7.087 15.126 -25.939 1.00 13.31 N ATOM 1498 CA SER A 96 7.953 14.019 -25.549 1.00 55.55 C ATOM 1499 C SER A 96 9.018 14.485 -24.562 1.00 30.14 C ATOM 1500 O SER A 96 9.056 14.063 -23.406 1.00 31.14 O ATOM 1501 CB SER A 96 8.618 13.406 -26.783 1.00 52.21 C ATOM 1502 OG SER A 96 8.339 14.168 -27.945 1.00 12.11 O ATOM 0 H SER A 96 7.519 16.047 -25.861 1.00 13.31 H new ATOM 0 HA SER A 96 7.338 13.262 -25.062 1.00 55.55 H new ATOM 0 HB2 SER A 96 9.696 13.352 -26.630 1.00 52.21 H new ATOM 0 HB3 SER A 96 8.264 12.384 -26.921 1.00 52.21 H new ATOM 0 HG SER A 96 8.777 13.756 -28.719 1.00 12.11 H new ATOM 1508 N PRO A 97 9.906 15.377 -25.027 1.00 34.55 N ATOM 1509 CA PRO A 97 10.988 15.920 -24.201 1.00 63.11 C ATOM 1510 C PRO A 97 10.474 16.854 -23.111 1.00 75.12 C ATOM 1511 O PRO A 97 11.212 17.225 -22.199 1.00 33.34 O ATOM 1512 CB PRO A 97 11.847 16.692 -25.206 1.00 12.43 C ATOM 1513 CG PRO A 97 10.910 17.052 -26.307 1.00 21.01 C ATOM 1514 CD PRO A 97 9.920 15.923 -26.394 1.00 3.33 C ATOM 0 HA PRO A 97 11.528 15.136 -23.670 1.00 63.11 H new ATOM 0 HB2 PRO A 97 12.285 17.581 -24.752 1.00 12.43 H new ATOM 0 HB3 PRO A 97 12.673 16.082 -25.572 1.00 12.43 H new ATOM 0 HG2 PRO A 97 10.407 17.997 -26.099 1.00 21.01 H new ATOM 0 HG3 PRO A 97 11.444 17.176 -27.249 1.00 21.01 H new ATOM 0 HD2 PRO A 97 8.934 16.275 -26.696 1.00 3.33 H new ATOM 0 HD3 PRO A 97 10.228 15.174 -27.123 1.00 3.33 H new ATOM 1522 N SER A 98 9.203 17.230 -23.212 1.00 52.45 N ATOM 1523 CA SER A 98 8.590 18.124 -22.237 1.00 2.24 C ATOM 1524 C SER A 98 7.819 17.333 -21.184 1.00 41.13 C ATOM 1525 O SER A 98 8.094 17.436 -19.989 1.00 44.24 O ATOM 1526 CB SER A 98 7.654 19.112 -22.935 1.00 43.25 C ATOM 1527 OG SER A 98 7.045 19.986 -22.001 1.00 3.12 O ATOM 0 H SER A 98 8.578 16.929 -23.960 1.00 52.45 H new ATOM 0 HA SER A 98 9.386 18.679 -21.740 1.00 2.24 H new ATOM 0 HB2 SER A 98 8.214 19.692 -23.668 1.00 43.25 H new ATOM 0 HB3 SER A 98 6.885 18.565 -23.481 1.00 43.25 H new ATOM 0 HG SER A 98 6.453 20.608 -22.473 1.00 3.12 H new ATOM 1533 N ALA A 99 6.852 16.543 -21.638 1.00 54.24 N ATOM 1534 CA ALA A 99 6.041 15.733 -20.738 1.00 23.32 C ATOM 1535 C ALA A 99 6.700 14.383 -20.471 1.00 54.34 C ATOM 1536 O ALA A 99 7.075 14.077 -19.339 1.00 35.42 O ATOM 1537 CB ALA A 99 4.647 15.537 -21.314 1.00 52.31 C ATOM 0 H ALA A 99 6.611 16.447 -22.624 1.00 54.24 H new ATOM 0 HA ALA A 99 5.958 16.262 -19.789 1.00 23.32 H new ATOM 0 HB1 ALA A 99 4.053 14.930 -20.631 1.00 52.31 H new ATOM 0 HB2 ALA A 99 4.169 16.507 -21.447 1.00 52.31 H new ATOM 0 HB3 ALA A 99 4.719 15.033 -22.278 1.00 52.31 H new ATOM 1543 N LEU A 100 6.837 13.580 -21.520 1.00 51.05 N ATOM 1544 CA LEU A 100 7.450 12.262 -21.400 1.00 31.23 C ATOM 1545 C LEU A 100 8.793 12.350 -20.683 1.00 23.44 C ATOM 1546 O LEU A 100 9.270 11.367 -20.115 1.00 4.24 O ATOM 1547 CB LEU A 100 7.637 11.636 -22.783 1.00 2.11 C ATOM 1548 CG LEU A 100 8.803 10.657 -22.924 1.00 43.14 C ATOM 1549 CD1 LEU A 100 8.556 9.409 -22.092 1.00 22.32 C ATOM 1550 CD2 LEU A 100 9.019 10.292 -24.386 1.00 34.31 C ATOM 0 H LEU A 100 6.532 13.819 -22.464 1.00 51.05 H new ATOM 0 HA LEU A 100 6.785 11.631 -20.810 1.00 31.23 H new ATOM 0 HB2 LEU A 100 6.718 11.116 -23.052 1.00 2.11 H new ATOM 0 HB3 LEU A 100 7.773 12.439 -23.508 1.00 2.11 H new ATOM 0 HG LEU A 100 9.706 11.142 -22.554 1.00 43.14 H new ATOM 0 HD11 LEU A 100 9.396 8.724 -22.205 1.00 22.32 H new ATOM 0 HD12 LEU A 100 8.452 9.686 -21.043 1.00 22.32 H new ATOM 0 HD13 LEU A 100 7.642 8.921 -22.431 1.00 22.32 H new ATOM 0 HD21 LEU A 100 9.853 9.595 -24.468 1.00 34.31 H new ATOM 0 HD22 LEU A 100 8.116 9.827 -24.782 1.00 34.31 H new ATOM 0 HD23 LEU A 100 9.243 11.193 -24.957 1.00 34.31 H new ATOM 1562 N SER A 101 9.397 13.533 -20.711 1.00 44.22 N ATOM 1563 CA SER A 101 10.687 13.749 -20.065 1.00 53.33 C ATOM 1564 C SER A 101 10.620 13.387 -18.585 1.00 21.12 C ATOM 1565 O SER A 101 11.646 13.156 -17.944 1.00 52.20 O ATOM 1566 CB SER A 101 11.124 15.207 -20.226 1.00 72.41 C ATOM 1567 OG SER A 101 11.819 15.660 -19.077 1.00 54.45 O ATOM 0 H SER A 101 9.014 14.357 -21.174 1.00 44.22 H new ATOM 0 HA SER A 101 11.420 13.102 -20.547 1.00 53.33 H new ATOM 0 HB2 SER A 101 11.763 15.304 -21.103 1.00 72.41 H new ATOM 0 HB3 SER A 101 10.250 15.835 -20.398 1.00 72.41 H new ATOM 0 HG SER A 101 12.089 16.593 -19.205 1.00 54.45 H new ATOM 1573 N ASP A 102 9.406 13.339 -18.048 1.00 52.02 N ATOM 1574 CA ASP A 102 9.203 13.004 -16.643 1.00 64.14 C ATOM 1575 C ASP A 102 9.108 11.493 -16.453 1.00 44.24 C ATOM 1576 O ASP A 102 9.432 10.970 -15.387 1.00 72.40 O ATOM 1577 CB ASP A 102 7.937 13.678 -16.114 1.00 34.33 C ATOM 1578 CG ASP A 102 8.123 14.248 -14.722 1.00 2.34 C ATOM 1579 OD1 ASP A 102 7.291 15.081 -14.305 1.00 33.12 O ATOM 1580 OD2 ASP A 102 9.101 13.862 -14.049 1.00 22.44 O ATOM 0 H ASP A 102 8.547 13.528 -18.565 1.00 52.02 H new ATOM 0 HA ASP A 102 10.062 13.369 -16.080 1.00 64.14 H new ATOM 0 HB2 ASP A 102 7.643 14.477 -16.794 1.00 34.33 H new ATOM 0 HB3 ASP A 102 7.122 12.954 -16.101 1.00 34.33 H new ATOM 1585 N PHE A 103 8.662 10.798 -17.494 1.00 54.01 N ATOM 1586 CA PHE A 103 8.522 9.347 -17.441 1.00 52.43 C ATOM 1587 C PHE A 103 9.872 8.679 -17.197 1.00 51.44 C ATOM 1588 O PHE A 103 9.940 7.553 -16.703 1.00 1.30 O ATOM 1589 CB PHE A 103 7.909 8.825 -18.743 1.00 3.25 C ATOM 1590 CG PHE A 103 6.414 8.698 -18.692 1.00 55.34 C ATOM 1591 CD1 PHE A 103 5.603 9.795 -18.938 1.00 4.23 C ATOM 1592 CD2 PHE A 103 5.818 7.482 -18.399 1.00 53.24 C ATOM 1593 CE1 PHE A 103 4.227 9.682 -18.893 1.00 35.13 C ATOM 1594 CE2 PHE A 103 4.442 7.363 -18.354 1.00 35.35 C ATOM 1595 CZ PHE A 103 3.645 8.464 -18.599 1.00 40.12 C ATOM 0 H PHE A 103 8.391 11.216 -18.384 1.00 54.01 H new ATOM 0 HA PHE A 103 7.860 9.100 -16.611 1.00 52.43 H new ATOM 0 HB2 PHE A 103 8.181 9.496 -19.558 1.00 3.25 H new ATOM 0 HB3 PHE A 103 8.341 7.851 -18.974 1.00 3.25 H new ATOM 0 HD1 PHE A 103 6.053 10.750 -19.168 1.00 4.23 H new ATOM 0 HD2 PHE A 103 6.436 6.618 -18.204 1.00 53.24 H new ATOM 0 HE1 PHE A 103 3.607 10.545 -19.087 1.00 35.13 H new ATOM 0 HE2 PHE A 103 3.990 6.409 -18.127 1.00 35.35 H new ATOM 0 HZ PHE A 103 2.570 8.373 -18.561 1.00 40.12 H new ATOM 1605 N LEU A 104 10.944 9.381 -17.548 1.00 60.12 N ATOM 1606 CA LEU A 104 12.294 8.857 -17.369 1.00 34.04 C ATOM 1607 C LEU A 104 12.912 9.378 -16.075 1.00 62.42 C ATOM 1608 O LEU A 104 14.019 8.988 -15.702 1.00 63.12 O ATOM 1609 CB LEU A 104 13.174 9.241 -18.559 1.00 52.41 C ATOM 1610 CG LEU A 104 13.774 10.647 -18.524 1.00 13.40 C ATOM 1611 CD1 LEU A 104 15.173 10.616 -17.929 1.00 41.04 C ATOM 1612 CD2 LEU A 104 13.799 11.251 -19.920 1.00 40.55 C ATOM 0 H LEU A 104 10.905 10.314 -17.958 1.00 60.12 H new ATOM 0 HA LEU A 104 12.231 7.771 -17.309 1.00 34.04 H new ATOM 0 HB2 LEU A 104 13.990 8.521 -18.629 1.00 52.41 H new ATOM 0 HB3 LEU A 104 12.583 9.143 -19.469 1.00 52.41 H new ATOM 0 HG LEU A 104 13.146 11.273 -17.890 1.00 13.40 H new ATOM 0 HD11 LEU A 104 15.584 11.626 -17.912 1.00 41.04 H new ATOM 0 HD12 LEU A 104 15.127 10.226 -16.912 1.00 41.04 H new ATOM 0 HD13 LEU A 104 15.812 9.974 -18.535 1.00 41.04 H new ATOM 0 HD21 LEU A 104 14.229 12.252 -19.876 1.00 40.55 H new ATOM 0 HD22 LEU A 104 14.403 10.625 -20.577 1.00 40.55 H new ATOM 0 HD23 LEU A 104 12.783 11.310 -20.309 1.00 40.55 H new ATOM 1624 N THR A 105 12.189 10.260 -15.392 1.00 71.23 N ATOM 1625 CA THR A 105 12.666 10.833 -14.140 1.00 55.11 C ATOM 1626 C THR A 105 11.710 10.522 -12.994 1.00 31.31 C ATOM 1627 O THR A 105 11.902 10.986 -11.870 1.00 31.41 O ATOM 1628 CB THR A 105 12.836 12.360 -14.250 1.00 65.04 C ATOM 1629 OG1 THR A 105 12.979 12.739 -15.624 1.00 24.11 O ATOM 1630 CG2 THR A 105 14.050 12.827 -13.461 1.00 42.03 C ATOM 0 H THR A 105 11.271 10.593 -15.685 1.00 71.23 H new ATOM 0 HA THR A 105 13.636 10.380 -13.934 1.00 55.11 H new ATOM 0 HB THR A 105 11.947 12.834 -13.833 1.00 65.04 H new ATOM 0 HG1 THR A 105 12.109 12.681 -16.072 1.00 24.11 H new ATOM 0 HG21 THR A 105 14.150 13.908 -13.553 1.00 42.03 H new ATOM 0 HG22 THR A 105 13.925 12.562 -12.411 1.00 42.03 H new ATOM 0 HG23 THR A 105 14.946 12.345 -13.853 1.00 42.03 H new ATOM 1638 N ARG A 106 10.681 9.733 -13.285 1.00 53.25 N ATOM 1639 CA ARG A 106 9.695 9.360 -12.278 1.00 54.34 C ATOM 1640 C ARG A 106 9.175 10.593 -11.544 1.00 21.33 C ATOM 1641 O ARG A 106 8.350 10.484 -10.637 1.00 11.54 O ATOM 1642 CB ARG A 106 10.303 8.376 -11.278 1.00 62.21 C ATOM 1643 CG ARG A 106 9.301 7.379 -10.718 1.00 45.03 C ATOM 1644 CD ARG A 106 9.473 7.200 -9.218 1.00 30.20 C ATOM 1645 NE ARG A 106 10.870 6.985 -8.848 1.00 55.55 N ATOM 1646 CZ ARG A 106 11.521 5.848 -9.065 1.00 12.21 C ATOM 1647 NH1 ARG A 106 10.905 4.828 -9.646 1.00 71.01 N ATOM 1648 NH2 ARG A 106 12.791 5.730 -8.700 1.00 61.21 N ATOM 0 H ARG A 106 10.508 9.340 -14.210 1.00 53.25 H new ATOM 0 HA ARG A 106 8.858 8.880 -12.785 1.00 54.34 H new ATOM 0 HB2 ARG A 106 11.112 7.831 -11.764 1.00 62.21 H new ATOM 0 HB3 ARG A 106 10.745 8.936 -10.454 1.00 62.21 H new ATOM 0 HG2 ARG A 106 8.288 7.721 -10.931 1.00 45.03 H new ATOM 0 HG3 ARG A 106 9.425 6.418 -11.217 1.00 45.03 H new ATOM 0 HD2 ARG A 106 9.093 8.082 -8.702 1.00 30.20 H new ATOM 0 HD3 ARG A 106 8.875 6.352 -8.883 1.00 30.20 H new ATOM 0 HE ARG A 106 11.373 7.750 -8.398 1.00 55.55 H new ATOM 0 HH11 ARG A 106 9.929 4.915 -9.928 1.00 71.01 H new ATOM 0 HH12 ARG A 106 11.408 3.956 -9.811 1.00 71.01 H new ATOM 0 HH21 ARG A 106 13.268 6.513 -8.252 1.00 61.21 H new ATOM 0 HH22 ARG A 106 13.291 4.856 -8.867 1.00 61.21 H new