USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 669 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 55 SER OG : rot 88:sc= 1.53 USER MOD Set 1.2: A 66 THR OG1 : rot 170:sc= 0.97 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 176:sc= 1.28 (180deg=1.23) USER MOD Single : A 45 SER OG : rot -10:sc= 0.478 USER MOD Single : A 53 ASN : amide:sc= -0.494 K(o=-0.49,f=-4.1!) USER MOD Single : A 58 HIS : no HD1:sc= -0.362 X(o=-0.36,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -1.67! C(o=-1.7!,f=-3.5!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.45 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.315 USER MOD Single : A 84 GLN : amide:sc= -0.0173 X(o=-0.017,f=0) USER MOD Single : A 86 HIS : no HE2:sc= 0.325 K(o=0.33,f=-4.8!) USER MOD Single : A 90 HIS : no HE2:sc= -0.178 X(o=-0.18,f=-0.44) USER MOD Single : A 102 HIS : no HD1:sc= -0.049 X(o=-0.049,f=0) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 110 THR OG1 : rot 180:sc=-0.00838 USER MOD Single : A 113 GLN : amide:sc= 0.256 K(o=0.26,f=-3.6!) USER MOD Single : A 117 ASN : amide:sc= -0.0224 K(o=-0.022,f=-1) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 31 -0.083 12.406 8.508 1.00 1.78 N ATOM 2 CA PRO A 31 0.468 12.026 7.212 1.00 1.56 C ATOM 3 C PRO A 31 -0.354 10.912 6.554 1.00 1.32 C ATOM 4 O PRO A 31 -1.010 10.098 7.222 1.00 1.24 O ATOM 5 CB PRO A 31 1.900 11.566 7.487 1.00 1.66 C ATOM 6 CG PRO A 31 1.822 11.040 8.920 1.00 2.00 C ATOM 7 CD PRO A 31 0.832 12.003 9.571 1.00 1.88 C ATOM 0 HA PRO A 31 0.443 12.863 6.514 1.00 1.56 H new ATOM 0 HB2 PRO A 31 2.216 10.791 6.789 1.00 1.66 H new ATOM 0 HB3 PRO A 31 2.612 12.386 7.396 1.00 1.66 H new ATOM 0 HG2 PRO A 31 1.469 10.009 8.955 1.00 2.00 H new ATOM 0 HG3 PRO A 31 2.794 11.061 9.414 1.00 2.00 H new ATOM 0 HD2 PRO A 31 0.295 11.520 10.388 1.00 1.88 H new ATOM 0 HD3 PRO A 31 1.346 12.866 9.994 1.00 1.88 H new ATOM 15 N VAL A 32 -0.257 10.827 5.226 1.00 1.28 N ATOM 16 CA VAL A 32 -0.964 9.788 4.455 1.00 1.21 C ATOM 17 C VAL A 32 -0.429 8.373 4.730 1.00 1.15 C ATOM 18 O VAL A 32 -1.106 7.395 4.425 1.00 1.15 O ATOM 19 CB VAL A 32 -1.026 10.102 2.946 1.00 1.21 C ATOM 20 CG1 VAL A 32 -1.763 11.422 2.684 1.00 2.16 C ATOM 21 CG2 VAL A 32 0.352 10.166 2.287 1.00 2.05 C ATOM 0 H VAL A 32 0.303 11.462 4.657 1.00 1.28 H new ATOM 0 HA VAL A 32 -1.992 9.804 4.816 1.00 1.21 H new ATOM 0 HB VAL A 32 -1.574 9.272 2.499 1.00 1.21 H new ATOM 0 HG11 VAL A 32 -1.791 11.617 1.612 1.00 2.16 H new ATOM 0 HG12 VAL A 32 -2.781 11.352 3.067 1.00 2.16 H new ATOM 0 HG13 VAL A 32 -1.241 12.236 3.187 1.00 2.16 H new ATOM 0 HG21 VAL A 32 0.238 10.390 1.226 1.00 2.05 H new ATOM 0 HG22 VAL A 32 0.946 10.947 2.761 1.00 2.05 H new ATOM 0 HG23 VAL A 32 0.856 9.206 2.403 1.00 2.05 H new ATOM 31 N GLU A 33 0.728 8.247 5.392 1.00 1.13 N ATOM 32 CA GLU A 33 1.284 6.953 5.816 1.00 1.07 C ATOM 33 C GLU A 33 0.471 6.381 6.987 1.00 0.93 C ATOM 34 O GLU A 33 -0.083 5.290 6.888 1.00 0.80 O ATOM 35 CB GLU A 33 2.808 7.046 6.073 1.00 1.15 C ATOM 36 CG GLU A 33 3.256 7.977 7.195 1.00 1.29 C ATOM 37 CD GLU A 33 3.875 7.315 8.439 1.00 2.01 C ATOM 38 OE1 GLU A 33 5.038 6.840 8.381 1.00 2.72 O ATOM 39 OE2 GLU A 33 3.222 7.351 9.509 1.00 3.37 O ATOM 0 H GLU A 33 1.309 9.044 5.651 1.00 1.13 H new ATOM 0 HA GLU A 33 1.186 6.233 5.004 1.00 1.07 H new ATOM 0 HB2 GLU A 33 3.178 6.045 6.293 1.00 1.15 H new ATOM 0 HB3 GLU A 33 3.290 7.368 5.150 1.00 1.15 H new ATOM 0 HG2 GLU A 33 3.984 8.678 6.785 1.00 1.29 H new ATOM 0 HG3 GLU A 33 2.394 8.563 7.515 1.00 1.29 H new ATOM 46 N ALA A 34 0.282 7.177 8.040 1.00 1.05 N ATOM 47 CA ALA A 34 -0.633 6.903 9.149 1.00 0.99 C ATOM 48 C ALA A 34 -2.076 6.689 8.666 1.00 0.99 C ATOM 49 O ALA A 34 -2.743 5.739 9.096 1.00 0.96 O ATOM 50 CB ALA A 34 -0.531 8.064 10.142 1.00 1.04 C ATOM 0 H ALA A 34 0.779 8.061 8.148 1.00 1.05 H new ATOM 0 HA ALA A 34 -0.347 5.972 9.638 1.00 0.99 H new ATOM 0 HB1 ALA A 34 -1.204 7.886 10.981 1.00 1.04 H new ATOM 0 HB2 ALA A 34 0.493 8.141 10.508 1.00 1.04 H new ATOM 0 HB3 ALA A 34 -0.809 8.993 9.645 1.00 1.04 H new ATOM 56 N ALA A 35 -2.536 7.529 7.725 1.00 1.08 N ATOM 57 CA ALA A 35 -3.867 7.373 7.141 1.00 1.13 C ATOM 58 C ALA A 35 -4.046 6.014 6.437 1.00 1.05 C ATOM 59 O ALA A 35 -5.083 5.367 6.629 1.00 1.04 O ATOM 60 CB ALA A 35 -4.151 8.549 6.203 1.00 1.24 C ATOM 0 H ALA A 35 -2.004 8.318 7.357 1.00 1.08 H new ATOM 0 HA ALA A 35 -4.600 7.381 7.948 1.00 1.13 H new ATOM 0 HB1 ALA A 35 -5.143 8.435 5.766 1.00 1.24 H new ATOM 0 HB2 ALA A 35 -4.107 9.482 6.765 1.00 1.24 H new ATOM 0 HB3 ALA A 35 -3.405 8.569 5.409 1.00 1.24 H new ATOM 66 N ILE A 36 -3.033 5.544 5.694 1.00 1.06 N ATOM 67 CA ILE A 36 -2.992 4.169 5.174 1.00 1.12 C ATOM 68 C ILE A 36 -2.961 3.152 6.314 1.00 1.07 C ATOM 69 O ILE A 36 -3.772 2.233 6.279 1.00 1.09 O ATOM 70 CB ILE A 36 -1.832 3.966 4.164 1.00 1.34 C ATOM 71 CG1 ILE A 36 -2.274 4.516 2.790 1.00 1.67 C ATOM 72 CG2 ILE A 36 -1.347 2.501 4.048 1.00 1.85 C ATOM 73 CD1 ILE A 36 -1.224 4.360 1.684 1.00 1.70 C ATOM 0 H ILE A 36 -2.221 6.105 5.437 1.00 1.06 H new ATOM 0 HA ILE A 36 -3.912 3.997 4.616 1.00 1.12 H new ATOM 0 HB ILE A 36 -0.969 4.516 4.539 1.00 1.34 H new ATOM 0 HG12 ILE A 36 -3.187 4.006 2.483 1.00 1.67 H new ATOM 0 HG13 ILE A 36 -2.520 5.573 2.896 1.00 1.67 H new ATOM 0 HG21 ILE A 36 -0.535 2.443 3.323 1.00 1.85 H new ATOM 0 HG22 ILE A 36 -0.991 2.158 5.019 1.00 1.85 H new ATOM 0 HG23 ILE A 36 -2.173 1.869 3.720 1.00 1.85 H new ATOM 0 HD11 ILE A 36 -1.613 4.771 0.752 1.00 1.70 H new ATOM 0 HD12 ILE A 36 -0.317 4.895 1.966 1.00 1.70 H new ATOM 0 HD13 ILE A 36 -0.995 3.303 1.547 1.00 1.70 H new ATOM 85 N ARG A 37 -2.087 3.292 7.323 1.00 1.04 N ATOM 86 CA ARG A 37 -1.960 2.305 8.416 1.00 1.03 C ATOM 87 C ARG A 37 -3.330 1.996 9.035 1.00 1.05 C ATOM 88 O ARG A 37 -3.784 0.847 8.986 1.00 1.03 O ATOM 89 CB ARG A 37 -0.924 2.743 9.477 1.00 1.07 C ATOM 90 CG ARG A 37 0.499 2.895 8.898 1.00 1.95 C ATOM 91 CD ARG A 37 1.609 2.237 9.731 1.00 2.87 C ATOM 92 NE ARG A 37 2.240 3.178 10.677 1.00 3.37 N ATOM 93 CZ ARG A 37 3.402 3.045 11.293 1.00 4.55 C ATOM 94 NH1 ARG A 37 4.108 1.955 11.289 1.00 5.74 N ATOM 95 NH2 ARG A 37 3.909 4.046 11.940 1.00 5.20 N ATOM 0 H ARG A 37 -1.451 4.085 7.408 1.00 1.04 H new ATOM 0 HA ARG A 37 -1.579 1.380 7.984 1.00 1.03 H new ATOM 0 HB2 ARG A 37 -1.237 3.692 9.913 1.00 1.07 H new ATOM 0 HB3 ARG A 37 -0.906 2.011 10.284 1.00 1.07 H new ATOM 0 HG2 ARG A 37 0.515 2.468 7.895 1.00 1.95 H new ATOM 0 HG3 ARG A 37 0.722 3.957 8.796 1.00 1.95 H new ATOM 0 HD2 ARG A 37 1.193 1.395 10.284 1.00 2.87 H new ATOM 0 HD3 ARG A 37 2.370 1.834 9.063 1.00 2.87 H new ATOM 0 HE ARG A 37 1.718 4.031 10.879 1.00 3.37 H new ATOM 0 HH11 ARG A 37 3.773 1.132 10.788 1.00 5.74 H new ATOM 0 HH12 ARG A 37 4.998 1.922 11.786 1.00 5.74 H new ATOM 0 HH21 ARG A 37 3.412 4.936 11.974 1.00 5.20 H new ATOM 0 HH22 ARG A 37 4.806 3.944 12.416 1.00 5.20 H new ATOM 109 N THR A 38 -4.036 3.029 9.507 1.00 1.07 N ATOM 110 CA THR A 38 -5.363 2.813 10.112 1.00 1.10 C ATOM 111 C THR A 38 -6.446 2.436 9.091 1.00 1.12 C ATOM 112 O THR A 38 -7.208 1.511 9.378 1.00 1.09 O ATOM 113 CB THR A 38 -5.798 3.973 11.023 1.00 1.34 C ATOM 114 OG1 THR A 38 -4.846 4.135 12.053 1.00 1.52 O ATOM 115 CG2 THR A 38 -7.116 3.685 11.744 1.00 1.55 C ATOM 0 H THR A 38 -3.725 4.000 9.486 1.00 1.07 H new ATOM 0 HA THR A 38 -5.246 1.941 10.755 1.00 1.10 H new ATOM 0 HB THR A 38 -5.899 4.848 10.380 1.00 1.34 H new ATOM 0 HG1 THR A 38 -5.117 4.875 12.636 1.00 1.52 H new ATOM 0 HG21 THR A 38 -7.379 4.534 12.374 1.00 1.55 H new ATOM 0 HG22 THR A 38 -7.904 3.520 11.009 1.00 1.55 H new ATOM 0 HG23 THR A 38 -7.005 2.795 12.363 1.00 1.55 H new ATOM 123 N LYS A 39 -6.527 3.042 7.888 1.00 1.18 N ATOM 124 CA LYS A 39 -7.597 2.676 6.939 1.00 1.24 C ATOM 125 C LYS A 39 -7.427 1.266 6.357 1.00 1.15 C ATOM 126 O LYS A 39 -8.423 0.582 6.154 1.00 1.20 O ATOM 127 CB LYS A 39 -7.745 3.731 5.831 1.00 1.31 C ATOM 128 CG LYS A 39 -9.180 3.837 5.289 1.00 1.36 C ATOM 129 CD LYS A 39 -10.087 4.680 6.203 1.00 2.24 C ATOM 130 CE LYS A 39 -11.521 4.853 5.680 1.00 2.86 C ATOM 131 NZ LYS A 39 -12.375 3.674 5.962 1.00 3.47 N ATOM 0 H LYS A 39 -5.886 3.764 7.559 1.00 1.18 H new ATOM 0 HA LYS A 39 -8.524 2.656 7.512 1.00 1.24 H new ATOM 0 HB2 LYS A 39 -7.436 4.702 6.218 1.00 1.31 H new ATOM 0 HB3 LYS A 39 -7.070 3.486 5.011 1.00 1.31 H new ATOM 0 HG2 LYS A 39 -9.158 4.280 4.293 1.00 1.36 H new ATOM 0 HG3 LYS A 39 -9.602 2.837 5.184 1.00 1.36 H new ATOM 0 HD2 LYS A 39 -10.125 4.214 7.188 1.00 2.24 H new ATOM 0 HD3 LYS A 39 -9.638 5.665 6.333 1.00 2.24 H new ATOM 0 HE2 LYS A 39 -11.966 5.737 6.136 1.00 2.86 H new ATOM 0 HE3 LYS A 39 -11.493 5.028 4.605 1.00 2.86 H new ATOM 0 HZ1 LYS A 39 -13.348 3.868 5.650 1.00 3.47 H new ATOM 0 HZ2 LYS A 39 -12.005 2.847 5.450 1.00 3.47 H new ATOM 0 HZ3 LYS A 39 -12.371 3.479 6.984 1.00 3.47 H new ATOM 145 N LEU A 40 -6.200 0.787 6.132 1.00 1.05 N ATOM 146 CA LEU A 40 -5.953 -0.583 5.689 1.00 1.00 C ATOM 147 C LEU A 40 -6.074 -1.602 6.835 1.00 0.98 C ATOM 148 O LEU A 40 -6.539 -2.716 6.578 1.00 0.99 O ATOM 149 CB LEU A 40 -4.604 -0.659 4.956 1.00 0.95 C ATOM 150 CG LEU A 40 -4.575 -0.111 3.512 1.00 0.94 C ATOM 151 CD1 LEU A 40 -5.360 -1.008 2.549 1.00 1.13 C ATOM 152 CD2 LEU A 40 -5.053 1.327 3.300 1.00 1.35 C ATOM 0 H LEU A 40 -5.352 1.340 6.253 1.00 1.05 H new ATOM 0 HA LEU A 40 -6.733 -0.863 4.981 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -3.865 -0.114 5.543 1.00 0.95 H new ATOM 0 HB3 LEU A 40 -4.286 -1.701 4.932 1.00 0.95 H new ATOM 0 HG LEU A 40 -3.506 -0.111 3.299 1.00 0.94 H new ATOM 0 HD11 LEU A 40 -5.316 -0.589 1.544 1.00 1.13 H new ATOM 0 HD12 LEU A 40 -4.924 -2.007 2.545 1.00 1.13 H new ATOM 0 HD13 LEU A 40 -6.399 -1.067 2.872 1.00 1.13 H new ATOM 0 HD21 LEU A 40 -4.980 1.583 2.243 1.00 1.35 H new ATOM 0 HD22 LEU A 40 -6.090 1.417 3.624 1.00 1.35 H new ATOM 0 HD23 LEU A 40 -4.430 2.007 3.881 1.00 1.35 H new ATOM 164 N GLU A 41 -5.783 -1.240 8.096 1.00 0.96 N ATOM 165 CA GLU A 41 -6.275 -2.040 9.237 1.00 0.93 C ATOM 166 C GLU A 41 -7.807 -2.196 9.212 1.00 0.98 C ATOM 167 O GLU A 41 -8.315 -3.318 9.298 1.00 0.98 O ATOM 168 CB GLU A 41 -5.783 -1.474 10.579 1.00 0.95 C ATOM 169 CG GLU A 41 -4.338 -1.908 10.859 1.00 1.30 C ATOM 170 CD GLU A 41 -3.814 -1.456 12.228 1.00 1.78 C ATOM 171 OE1 GLU A 41 -4.401 -0.550 12.870 1.00 2.44 O ATOM 172 OE2 GLU A 41 -2.810 -2.057 12.676 1.00 2.80 O ATOM 0 H GLU A 41 -5.227 -0.424 8.350 1.00 0.96 H new ATOM 0 HA GLU A 41 -5.852 -3.039 9.132 1.00 0.93 H new ATOM 0 HB2 GLU A 41 -5.844 -0.386 10.564 1.00 0.95 H new ATOM 0 HB3 GLU A 41 -6.433 -1.818 11.384 1.00 0.95 H new ATOM 0 HG2 GLU A 41 -4.275 -2.994 10.796 1.00 1.30 H new ATOM 0 HG3 GLU A 41 -3.690 -1.506 10.081 1.00 1.30 H new ATOM 179 N GLU A 42 -8.558 -1.117 8.986 1.00 1.09 N ATOM 180 CA GLU A 42 -9.986 -1.136 8.767 1.00 1.20 C ATOM 181 C GLU A 42 -10.438 -1.959 7.548 1.00 1.25 C ATOM 182 O GLU A 42 -11.490 -2.599 7.605 1.00 1.39 O ATOM 183 CB GLU A 42 -10.431 0.329 8.599 1.00 1.29 C ATOM 184 CG GLU A 42 -11.701 0.570 9.387 1.00 2.05 C ATOM 185 CD GLU A 42 -12.648 1.478 8.611 1.00 2.20 C ATOM 186 OE1 GLU A 42 -12.383 2.701 8.543 1.00 3.18 O ATOM 187 OE2 GLU A 42 -13.652 0.979 8.047 1.00 2.53 O ATOM 0 H GLU A 42 -8.164 -0.177 8.951 1.00 1.09 H new ATOM 0 HA GLU A 42 -10.449 -1.626 9.623 1.00 1.20 H new ATOM 0 HB2 GLU A 42 -9.644 1.000 8.944 1.00 1.29 H new ATOM 0 HB3 GLU A 42 -10.598 0.550 7.545 1.00 1.29 H new ATOM 0 HG2 GLU A 42 -12.191 -0.381 9.598 1.00 2.05 H new ATOM 0 HG3 GLU A 42 -11.459 1.024 10.348 1.00 2.05 H new ATOM 194 N ALA A 43 -9.664 -1.978 6.461 1.00 1.18 N ATOM 195 CA ALA A 43 -10.046 -2.626 5.207 1.00 1.23 C ATOM 196 C ALA A 43 -9.806 -4.146 5.195 1.00 1.19 C ATOM 197 O ALA A 43 -10.718 -4.882 4.804 1.00 1.29 O ATOM 198 CB ALA A 43 -9.322 -1.935 4.048 1.00 1.23 C ATOM 0 H ALA A 43 -8.744 -1.539 6.427 1.00 1.18 H new ATOM 0 HA ALA A 43 -11.124 -2.513 5.094 1.00 1.23 H new ATOM 0 HB1 ALA A 43 -9.601 -2.412 3.109 1.00 1.23 H new ATOM 0 HB2 ALA A 43 -9.604 -0.883 4.018 1.00 1.23 H new ATOM 0 HB3 ALA A 43 -8.245 -2.018 4.191 1.00 1.23 H new ATOM 204 N LEU A 44 -8.613 -4.623 5.589 1.00 1.11 N ATOM 205 CA LEU A 44 -8.233 -6.044 5.537 1.00 1.23 C ATOM 206 C LEU A 44 -7.610 -6.623 6.820 1.00 1.38 C ATOM 207 O LEU A 44 -7.318 -7.817 6.849 1.00 1.58 O ATOM 208 CB LEU A 44 -7.342 -6.323 4.314 1.00 1.20 C ATOM 209 CG LEU A 44 -5.886 -5.839 4.453 1.00 1.24 C ATOM 210 CD1 LEU A 44 -4.906 -6.832 3.832 1.00 0.83 C ATOM 211 CD2 LEU A 44 -5.737 -4.489 3.769 1.00 1.91 C ATOM 0 H LEU A 44 -7.875 -4.023 5.958 1.00 1.11 H new ATOM 0 HA LEU A 44 -9.179 -6.576 5.441 1.00 1.23 H new ATOM 0 HB2 LEU A 44 -7.337 -7.396 4.123 1.00 1.20 H new ATOM 0 HB3 LEU A 44 -7.787 -5.846 3.441 1.00 1.20 H new ATOM 0 HG LEU A 44 -5.656 -5.753 5.515 1.00 1.24 H new ATOM 0 HD11 LEU A 44 -3.888 -6.459 3.948 1.00 0.83 H new ATOM 0 HD12 LEU A 44 -4.999 -7.796 4.332 1.00 0.83 H new ATOM 0 HD13 LEU A 44 -5.131 -6.950 2.772 1.00 0.83 H new ATOM 0 HD21 LEU A 44 -4.708 -4.144 3.866 1.00 1.91 H new ATOM 0 HD22 LEU A 44 -5.989 -4.586 2.713 1.00 1.91 H new ATOM 0 HD23 LEU A 44 -6.407 -3.768 4.237 1.00 1.91 H new ATOM 223 N SER A 45 -7.349 -5.797 7.842 1.00 1.39 N ATOM 224 CA SER A 45 -6.667 -6.173 9.104 1.00 1.57 C ATOM 225 C SER A 45 -5.312 -6.916 8.900 1.00 1.44 C ATOM 226 O SER A 45 -5.207 -8.105 9.208 1.00 1.75 O ATOM 227 CB SER A 45 -7.656 -6.878 10.047 1.00 2.03 C ATOM 228 OG SER A 45 -8.059 -8.163 9.613 1.00 1.78 O ATOM 0 H SER A 45 -7.613 -4.812 7.820 1.00 1.39 H new ATOM 0 HA SER A 45 -6.352 -5.255 9.600 1.00 1.57 H new ATOM 0 HB2 SER A 45 -7.199 -6.967 11.033 1.00 2.03 H new ATOM 0 HB3 SER A 45 -8.541 -6.252 10.161 1.00 2.03 H new ATOM 0 HG SER A 45 -7.756 -8.307 8.692 1.00 1.78 H new ATOM 234 N PRO A 46 -4.275 -6.262 8.324 1.00 1.04 N ATOM 235 CA PRO A 46 -3.018 -6.869 7.837 1.00 0.75 C ATOM 236 C PRO A 46 -2.216 -7.747 8.815 1.00 0.72 C ATOM 237 O PRO A 46 -2.457 -7.767 10.022 1.00 0.92 O ATOM 238 CB PRO A 46 -2.148 -5.680 7.419 1.00 0.61 C ATOM 239 CG PRO A 46 -3.139 -4.607 7.009 1.00 0.67 C ATOM 240 CD PRO A 46 -4.262 -4.836 8.013 1.00 0.97 C ATOM 0 HA PRO A 46 -3.290 -7.571 7.049 1.00 0.75 H new ATOM 0 HB2 PRO A 46 -1.516 -5.343 8.241 1.00 0.61 H new ATOM 0 HB3 PRO A 46 -1.486 -5.944 6.595 1.00 0.61 H new ATOM 0 HG2 PRO A 46 -2.716 -3.606 7.087 1.00 0.67 H new ATOM 0 HG3 PRO A 46 -3.476 -4.731 5.980 1.00 0.67 H new ATOM 0 HD2 PRO A 46 -4.098 -4.246 8.915 1.00 0.97 H new ATOM 0 HD3 PRO A 46 -5.220 -4.524 7.597 1.00 0.97 H new ATOM 248 N GLU A 47 -1.187 -8.439 8.313 1.00 0.60 N ATOM 249 CA GLU A 47 -0.065 -8.892 9.129 1.00 0.58 C ATOM 250 C GLU A 47 1.036 -7.834 9.255 1.00 0.60 C ATOM 251 O GLU A 47 1.515 -7.584 10.367 1.00 0.73 O ATOM 252 CB GLU A 47 0.454 -10.213 8.574 1.00 0.61 C ATOM 253 CG GLU A 47 0.799 -11.199 9.684 1.00 0.84 C ATOM 254 CD GLU A 47 -0.399 -11.979 10.264 1.00 1.37 C ATOM 255 OE1 GLU A 47 -1.578 -11.667 9.968 1.00 2.30 O ATOM 256 OE2 GLU A 47 -0.173 -12.919 11.061 1.00 1.99 O ATOM 0 H GLU A 47 -1.113 -8.699 7.329 1.00 0.60 H new ATOM 0 HA GLU A 47 -0.417 -9.054 10.148 1.00 0.58 H new ATOM 0 HB2 GLU A 47 -0.298 -10.652 7.919 1.00 0.61 H new ATOM 0 HB3 GLU A 47 1.339 -10.028 7.964 1.00 0.61 H new ATOM 0 HG2 GLU A 47 1.526 -11.914 9.300 1.00 0.84 H new ATOM 0 HG3 GLU A 47 1.284 -10.655 10.494 1.00 0.84 H new ATOM 263 N VAL A 48 1.377 -7.129 8.167 1.00 0.55 N ATOM 264 CA VAL A 48 2.165 -5.900 8.270 1.00 0.73 C ATOM 265 C VAL A 48 1.627 -4.822 7.355 1.00 0.93 C ATOM 266 O VAL A 48 0.977 -5.106 6.343 1.00 1.33 O ATOM 267 CB VAL A 48 3.629 -6.094 7.860 1.00 1.11 C ATOM 268 CG1 VAL A 48 4.444 -7.094 8.627 1.00 0.84 C ATOM 269 CG2 VAL A 48 3.769 -6.484 6.413 1.00 2.28 C ATOM 0 H VAL A 48 1.120 -7.389 7.215 1.00 0.55 H new ATOM 0 HA VAL A 48 2.097 -5.617 9.320 1.00 0.73 H new ATOM 0 HB VAL A 48 4.025 -5.104 8.087 1.00 1.11 H new ATOM 0 HG11 VAL A 48 5.457 -7.123 8.225 1.00 0.84 H new ATOM 0 HG12 VAL A 48 4.478 -6.806 9.678 1.00 0.84 H new ATOM 0 HG13 VAL A 48 3.990 -8.081 8.536 1.00 0.84 H new ATOM 0 HG21 VAL A 48 4.824 -6.610 6.171 1.00 2.28 H new ATOM 0 HG22 VAL A 48 3.242 -7.421 6.236 1.00 2.28 H new ATOM 0 HG23 VAL A 48 3.343 -5.703 5.783 1.00 2.28 H new ATOM 279 N LEU A 49 2.101 -3.609 7.616 1.00 0.85 N ATOM 280 CA LEU A 49 2.465 -2.728 6.519 1.00 0.70 C ATOM 281 C LEU A 49 3.610 -1.772 6.877 1.00 0.79 C ATOM 282 O LEU A 49 3.517 -1.003 7.830 1.00 1.22 O ATOM 283 CB LEU A 49 1.219 -2.026 5.940 1.00 1.27 C ATOM 284 CG LEU A 49 0.038 -1.752 6.897 1.00 0.98 C ATOM 285 CD1 LEU A 49 0.340 -0.717 7.977 1.00 1.54 C ATOM 286 CD2 LEU A 49 -1.153 -1.295 6.061 1.00 1.46 C ATOM 0 H LEU A 49 2.239 -3.223 8.550 1.00 0.85 H new ATOM 0 HA LEU A 49 2.872 -3.345 5.718 1.00 0.70 H new ATOM 0 HB2 LEU A 49 1.537 -1.072 5.519 1.00 1.27 H new ATOM 0 HB3 LEU A 49 0.847 -2.631 5.113 1.00 1.27 H new ATOM 0 HG LEU A 49 -0.172 -2.679 7.430 1.00 0.98 H new ATOM 0 HD11 LEU A 49 -0.539 -0.582 8.607 1.00 1.54 H new ATOM 0 HD12 LEU A 49 1.175 -1.061 8.588 1.00 1.54 H new ATOM 0 HD13 LEU A 49 0.600 0.232 7.509 1.00 1.54 H new ATOM 0 HD21 LEU A 49 -2.001 -1.095 6.715 1.00 1.46 H new ATOM 0 HD22 LEU A 49 -0.890 -0.386 5.519 1.00 1.46 H new ATOM 0 HD23 LEU A 49 -1.420 -2.077 5.350 1.00 1.46 H new ATOM 298 N GLU A 50 4.700 -1.830 6.113 1.00 0.60 N ATOM 299 CA GLU A 50 5.856 -0.924 6.244 1.00 0.64 C ATOM 300 C GLU A 50 6.074 -0.147 4.953 1.00 0.59 C ATOM 301 O GLU A 50 6.113 -0.693 3.855 1.00 0.71 O ATOM 302 CB GLU A 50 7.134 -1.665 6.630 1.00 0.87 C ATOM 303 CG GLU A 50 7.043 -2.269 8.035 1.00 1.15 C ATOM 304 CD GLU A 50 7.711 -1.418 9.124 1.00 2.46 C ATOM 305 OE1 GLU A 50 8.736 -1.865 9.702 1.00 2.54 O ATOM 306 OE2 GLU A 50 7.162 -0.347 9.482 1.00 4.14 O ATOM 0 H GLU A 50 4.813 -2.519 5.369 1.00 0.60 H new ATOM 0 HA GLU A 50 5.625 -0.229 7.051 1.00 0.64 H new ATOM 0 HB2 GLU A 50 7.327 -2.457 5.906 1.00 0.87 H new ATOM 0 HB3 GLU A 50 7.979 -0.979 6.584 1.00 0.87 H new ATOM 0 HG2 GLU A 50 5.993 -2.410 8.291 1.00 1.15 H new ATOM 0 HG3 GLU A 50 7.504 -3.256 8.026 1.00 1.15 H new ATOM 313 N LEU A 51 6.129 1.161 5.092 1.00 0.55 N ATOM 314 CA LEU A 51 5.794 2.096 4.008 1.00 0.51 C ATOM 315 C LEU A 51 6.619 3.405 4.031 1.00 0.63 C ATOM 316 O LEU A 51 7.242 3.739 5.044 1.00 0.82 O ATOM 317 CB LEU A 51 4.255 2.270 4.016 1.00 0.59 C ATOM 318 CG LEU A 51 3.737 3.282 5.044 1.00 0.80 C ATOM 319 CD1 LEU A 51 2.219 3.474 5.062 1.00 1.23 C ATOM 320 CD2 LEU A 51 4.112 2.951 6.485 1.00 0.98 C ATOM 0 H LEU A 51 6.407 1.620 5.959 1.00 0.55 H new ATOM 0 HA LEU A 51 6.091 1.685 3.043 1.00 0.51 H new ATOM 0 HB2 LEU A 51 3.932 2.582 3.023 1.00 0.59 H new ATOM 0 HB3 LEU A 51 3.793 1.302 4.212 1.00 0.59 H new ATOM 0 HG LEU A 51 4.230 4.191 4.699 1.00 0.80 H new ATOM 0 HD11 LEU A 51 1.954 4.209 5.822 1.00 1.23 H new ATOM 0 HD12 LEU A 51 1.885 3.826 4.086 1.00 1.23 H new ATOM 0 HD13 LEU A 51 1.735 2.525 5.291 1.00 1.23 H new ATOM 0 HD21 LEU A 51 3.709 3.714 7.150 1.00 0.98 H new ATOM 0 HD22 LEU A 51 3.698 1.979 6.755 1.00 0.98 H new ATOM 0 HD23 LEU A 51 5.197 2.923 6.581 1.00 0.98 H new ATOM 332 N ARG A 52 6.657 4.143 2.914 1.00 0.64 N ATOM 333 CA ARG A 52 7.575 5.279 2.692 1.00 0.89 C ATOM 334 C ARG A 52 7.047 6.218 1.603 1.00 0.87 C ATOM 335 O ARG A 52 6.637 5.741 0.551 1.00 0.80 O ATOM 336 CB ARG A 52 8.928 4.663 2.278 1.00 1.21 C ATOM 337 CG ARG A 52 10.096 5.652 2.199 1.00 1.73 C ATOM 338 CD ARG A 52 11.390 4.863 1.949 1.00 3.00 C ATOM 339 NE ARG A 52 12.567 5.744 1.998 1.00 3.64 N ATOM 340 CZ ARG A 52 13.708 5.504 2.616 1.00 4.74 C ATOM 341 NH1 ARG A 52 14.024 4.335 3.103 1.00 5.89 N ATOM 342 NH2 ARG A 52 14.566 6.463 2.781 1.00 5.28 N ATOM 0 H ARG A 52 6.040 3.968 2.121 1.00 0.64 H new ATOM 0 HA ARG A 52 7.672 5.883 3.594 1.00 0.89 H new ATOM 0 HB2 ARG A 52 9.185 3.878 2.989 1.00 1.21 H new ATOM 0 HB3 ARG A 52 8.810 4.186 1.305 1.00 1.21 H new ATOM 0 HG2 ARG A 52 9.930 6.370 1.396 1.00 1.73 H new ATOM 0 HG3 ARG A 52 10.173 6.221 3.125 1.00 1.73 H new ATOM 0 HD2 ARG A 52 11.490 4.076 2.697 1.00 3.00 H new ATOM 0 HD3 ARG A 52 11.339 4.374 0.976 1.00 3.00 H new ATOM 0 HE ARG A 52 12.494 6.633 1.503 1.00 3.64 H new ATOM 0 HH11 ARG A 52 13.375 3.553 3.014 1.00 5.89 H new ATOM 0 HH12 ARG A 52 14.920 4.203 3.572 1.00 5.89 H new ATOM 0 HH21 ARG A 52 14.358 7.399 2.434 1.00 5.28 H new ATOM 0 HH22 ARG A 52 15.449 6.281 3.258 1.00 5.28 H new ATOM 356 N ASN A 53 7.054 7.540 1.794 1.00 0.98 N ATOM 357 CA ASN A 53 6.647 8.466 0.731 1.00 0.91 C ATOM 358 C ASN A 53 7.812 8.826 -0.215 1.00 1.17 C ATOM 359 O ASN A 53 8.939 9.058 0.216 1.00 1.56 O ATOM 360 CB ASN A 53 5.773 9.610 1.299 1.00 1.03 C ATOM 361 CG ASN A 53 6.385 10.984 1.522 1.00 1.41 C ATOM 362 OD1 ASN A 53 7.335 11.423 0.889 1.00 2.07 O ATOM 363 ND2 ASN A 53 5.774 11.759 2.381 1.00 1.26 N ATOM 0 H ASN A 53 7.334 7.991 2.665 1.00 0.98 H new ATOM 0 HA ASN A 53 5.968 7.971 0.037 1.00 0.91 H new ATOM 0 HB2 ASN A 53 4.924 9.736 0.627 1.00 1.03 H new ATOM 0 HB3 ASN A 53 5.374 9.272 2.255 1.00 1.03 H new ATOM 0 HD21 ASN A 53 6.091 12.719 2.517 1.00 1.26 H new ATOM 0 HD22 ASN A 53 4.981 11.403 2.914 1.00 1.26 H new ATOM 370 N GLU A 54 7.532 8.876 -1.518 1.00 1.12 N ATOM 371 CA GLU A 54 8.468 9.284 -2.584 1.00 1.41 C ATOM 372 C GLU A 54 8.438 10.815 -2.809 1.00 1.18 C ATOM 373 O GLU A 54 9.340 11.415 -3.396 1.00 1.36 O ATOM 374 CB GLU A 54 8.080 8.482 -3.842 1.00 1.68 C ATOM 375 CG GLU A 54 8.901 8.806 -5.094 1.00 2.17 C ATOM 376 CD GLU A 54 8.553 7.852 -6.238 1.00 3.20 C ATOM 377 OE1 GLU A 54 9.206 6.789 -6.358 1.00 3.43 O ATOM 378 OE2 GLU A 54 7.631 8.169 -7.031 1.00 4.38 O ATOM 0 H GLU A 54 6.613 8.625 -1.881 1.00 1.12 H new ATOM 0 HA GLU A 54 9.500 9.064 -2.311 1.00 1.41 H new ATOM 0 HB2 GLU A 54 8.183 7.419 -3.623 1.00 1.68 H new ATOM 0 HB3 GLU A 54 7.027 8.662 -4.059 1.00 1.68 H new ATOM 0 HG2 GLU A 54 8.711 9.834 -5.402 1.00 2.17 H new ATOM 0 HG3 GLU A 54 9.964 8.733 -4.865 1.00 2.17 H new ATOM 385 N SER A 55 7.379 11.455 -2.307 1.00 0.84 N ATOM 386 CA SER A 55 7.051 12.878 -2.406 1.00 0.69 C ATOM 387 C SER A 55 8.036 13.832 -1.722 1.00 0.95 C ATOM 388 O SER A 55 8.068 15.013 -2.071 1.00 1.09 O ATOM 389 CB SER A 55 5.642 13.006 -1.851 1.00 0.70 C ATOM 390 OG SER A 55 5.052 14.273 -2.083 1.00 1.49 O ATOM 0 H SER A 55 6.670 10.948 -1.777 1.00 0.84 H new ATOM 0 HA SER A 55 7.122 13.192 -3.447 1.00 0.69 H new ATOM 0 HB2 SER A 55 5.014 12.235 -2.297 1.00 0.70 H new ATOM 0 HB3 SER A 55 5.665 12.817 -0.778 1.00 0.70 H new ATOM 0 HG SER A 55 4.601 14.269 -2.953 1.00 1.49 H new ATOM 396 N GLY A 56 8.934 13.338 -0.864 1.00 1.20 N ATOM 397 CA GLY A 56 10.077 14.125 -0.379 1.00 1.47 C ATOM 398 C GLY A 56 11.091 14.452 -1.489 1.00 1.45 C ATOM 399 O GLY A 56 11.849 15.414 -1.366 1.00 1.62 O ATOM 0 H GLY A 56 8.892 12.391 -0.488 1.00 1.20 H new ATOM 0 HA2 GLY A 56 9.713 15.054 0.059 1.00 1.47 H new ATOM 0 HA3 GLY A 56 10.580 13.574 0.416 1.00 1.47 H new ATOM 403 N GLY A 57 11.031 13.745 -2.625 1.00 1.32 N ATOM 404 CA GLY A 57 11.785 14.062 -3.842 1.00 1.40 C ATOM 405 C GLY A 57 11.141 15.090 -4.782 1.00 1.39 C ATOM 406 O GLY A 57 11.776 15.477 -5.766 1.00 2.29 O ATOM 0 H GLY A 57 10.443 12.918 -2.724 1.00 1.32 H new ATOM 0 HA2 GLY A 57 12.768 14.431 -3.551 1.00 1.40 H new ATOM 0 HA3 GLY A 57 11.943 13.138 -4.399 1.00 1.40 H new ATOM 410 N HIS A 58 9.918 15.555 -4.499 1.00 1.15 N ATOM 411 CA HIS A 58 9.178 16.509 -5.340 1.00 1.20 C ATOM 412 C HIS A 58 9.046 17.872 -4.649 1.00 1.52 C ATOM 413 O HIS A 58 8.847 17.948 -3.435 1.00 2.23 O ATOM 414 CB HIS A 58 7.820 15.915 -5.768 1.00 1.06 C ATOM 415 CG HIS A 58 8.015 14.657 -6.590 1.00 1.14 C ATOM 416 ND1 HIS A 58 8.198 14.608 -7.954 1.00 1.51 N ATOM 417 CD2 HIS A 58 8.263 13.394 -6.120 1.00 1.06 C ATOM 418 CE1 HIS A 58 8.563 13.360 -8.286 1.00 1.65 C ATOM 419 NE2 HIS A 58 8.626 12.572 -7.196 1.00 1.40 N ATOM 0 H HIS A 58 9.404 15.275 -3.664 1.00 1.15 H new ATOM 0 HA HIS A 58 9.746 16.687 -6.253 1.00 1.20 H new ATOM 0 HB2 HIS A 58 7.223 15.688 -4.885 1.00 1.06 H new ATOM 0 HB3 HIS A 58 7.263 16.651 -6.348 1.00 1.06 H new ATOM 0 HD2 HIS A 58 8.191 13.082 -5.088 1.00 1.06 H new ATOM 0 HE1 HIS A 58 8.777 13.032 -9.292 1.00 1.65 H new ATOM 0 HE2 HIS A 58 8.883 11.586 -7.161 1.00 1.40 H new ATOM 427 N ALA A 59 9.113 18.955 -5.423 1.00 1.81 N ATOM 428 CA ALA A 59 9.068 20.347 -4.963 1.00 2.14 C ATOM 429 C ALA A 59 7.639 20.815 -4.612 1.00 1.94 C ATOM 430 O ALA A 59 7.225 21.929 -4.954 1.00 2.32 O ATOM 431 CB ALA A 59 9.751 21.217 -6.024 1.00 2.63 C ATOM 0 H ALA A 59 9.205 18.885 -6.436 1.00 1.81 H new ATOM 0 HA ALA A 59 9.611 20.442 -4.022 1.00 2.14 H new ATOM 0 HB1 ALA A 59 9.732 22.260 -5.707 1.00 2.63 H new ATOM 0 HB2 ALA A 59 10.785 20.895 -6.149 1.00 2.63 H new ATOM 0 HB3 ALA A 59 9.223 21.116 -6.972 1.00 2.63 H new ATOM 437 N VAL A 60 6.868 19.943 -3.961 1.00 1.50 N ATOM 438 CA VAL A 60 5.468 20.156 -3.577 1.00 1.31 C ATOM 439 C VAL A 60 5.391 20.927 -2.247 1.00 1.45 C ATOM 440 O VAL A 60 6.240 20.702 -1.371 1.00 1.75 O ATOM 441 CB VAL A 60 4.678 18.826 -3.565 1.00 1.08 C ATOM 442 CG1 VAL A 60 4.732 18.164 -4.948 1.00 1.15 C ATOM 443 CG2 VAL A 60 5.120 17.812 -2.509 1.00 1.19 C ATOM 0 H VAL A 60 7.216 19.028 -3.673 1.00 1.50 H new ATOM 0 HA VAL A 60 4.983 20.778 -4.329 1.00 1.31 H new ATOM 0 HB VAL A 60 3.661 19.112 -3.299 1.00 1.08 H new ATOM 0 HG11 VAL A 60 4.172 17.229 -4.926 1.00 1.15 H new ATOM 0 HG12 VAL A 60 4.293 18.832 -5.689 1.00 1.15 H new ATOM 0 HG13 VAL A 60 5.769 17.960 -5.213 1.00 1.15 H new ATOM 0 HG21 VAL A 60 4.504 16.916 -2.585 1.00 1.19 H new ATOM 0 HG22 VAL A 60 6.165 17.549 -2.672 1.00 1.19 H new ATOM 0 HG23 VAL A 60 5.006 18.248 -1.516 1.00 1.19 H new ATOM 453 N PRO A 61 4.432 21.857 -2.078 1.00 1.43 N ATOM 454 CA PRO A 61 4.365 22.735 -0.907 1.00 1.60 C ATOM 455 C PRO A 61 4.122 21.965 0.408 1.00 1.66 C ATOM 456 O PRO A 61 3.559 20.866 0.383 1.00 1.61 O ATOM 457 CB PRO A 61 3.250 23.744 -1.215 1.00 1.82 C ATOM 458 CG PRO A 61 2.368 23.023 -2.233 1.00 1.71 C ATOM 459 CD PRO A 61 3.371 22.186 -3.019 1.00 1.50 C ATOM 0 HA PRO A 61 5.318 23.236 -0.739 1.00 1.60 H new ATOM 0 HB2 PRO A 61 2.690 24.006 -0.317 1.00 1.82 H new ATOM 0 HB3 PRO A 61 3.653 24.672 -1.622 1.00 1.82 H new ATOM 0 HG2 PRO A 61 1.616 22.402 -1.747 1.00 1.71 H new ATOM 0 HG3 PRO A 61 1.836 23.725 -2.875 1.00 1.71 H new ATOM 0 HD2 PRO A 61 2.904 21.284 -3.414 1.00 1.50 H new ATOM 0 HD3 PRO A 61 3.762 22.742 -3.871 1.00 1.50 H new ATOM 467 N PRO A 62 4.516 22.521 1.572 1.00 1.96 N ATOM 468 CA PRO A 62 4.367 21.858 2.869 1.00 2.22 C ATOM 469 C PRO A 62 2.917 21.436 3.147 1.00 2.18 C ATOM 470 O PRO A 62 1.958 22.128 2.786 1.00 2.12 O ATOM 471 CB PRO A 62 4.901 22.844 3.915 1.00 2.60 C ATOM 472 CG PRO A 62 4.804 24.198 3.215 1.00 2.43 C ATOM 473 CD PRO A 62 5.089 23.846 1.759 1.00 2.18 C ATOM 0 HA PRO A 62 4.929 20.924 2.895 1.00 2.22 H new ATOM 0 HB2 PRO A 62 4.306 22.821 4.828 1.00 2.60 H new ATOM 0 HB3 PRO A 62 5.928 22.612 4.198 1.00 2.60 H new ATOM 0 HG2 PRO A 62 3.818 24.647 3.337 1.00 2.43 H new ATOM 0 HG3 PRO A 62 5.530 24.910 3.609 1.00 2.43 H new ATOM 0 HD2 PRO A 62 4.637 24.571 1.082 1.00 2.18 H new ATOM 0 HD3 PRO A 62 6.160 23.845 1.556 1.00 2.18 H new ATOM 481 N GLY A 63 2.764 20.258 3.752 1.00 2.36 N ATOM 482 CA GLY A 63 1.478 19.592 3.970 1.00 2.46 C ATOM 483 C GLY A 63 0.964 18.779 2.772 1.00 2.03 C ATOM 484 O GLY A 63 0.092 17.930 2.964 1.00 2.03 O ATOM 0 H GLY A 63 3.554 19.725 4.115 1.00 2.36 H new ATOM 0 HA2 GLY A 63 1.569 18.928 4.830 1.00 2.46 H new ATOM 0 HA3 GLY A 63 0.733 20.345 4.227 1.00 2.46 H new ATOM 488 N SER A 64 1.505 18.964 1.559 1.00 1.72 N ATOM 489 CA SER A 64 1.195 18.125 0.395 1.00 1.34 C ATOM 490 C SER A 64 2.091 16.885 0.383 1.00 1.06 C ATOM 491 O SER A 64 3.315 16.968 0.500 1.00 1.23 O ATOM 492 CB SER A 64 1.282 18.925 -0.911 1.00 1.37 C ATOM 493 OG SER A 64 0.294 19.952 -0.870 1.00 2.38 O ATOM 0 H SER A 64 2.175 19.706 1.358 1.00 1.72 H new ATOM 0 HA SER A 64 0.163 17.783 0.475 1.00 1.34 H new ATOM 0 HB2 SER A 64 2.276 19.358 -1.026 1.00 1.37 H new ATOM 0 HB3 SER A 64 1.117 18.273 -1.768 1.00 1.37 H new ATOM 0 HG SER A 64 0.334 20.477 -1.696 1.00 2.38 H new ATOM 499 N GLU A 65 1.459 15.724 0.274 1.00 0.93 N ATOM 500 CA GLU A 65 2.053 14.383 0.335 1.00 0.84 C ATOM 501 C GLU A 65 1.498 13.579 -0.851 1.00 0.82 C ATOM 502 O GLU A 65 0.488 12.877 -0.762 1.00 1.07 O ATOM 503 CB GLU A 65 1.801 13.727 1.712 1.00 1.12 C ATOM 504 CG GLU A 65 2.472 14.528 2.845 1.00 1.39 C ATOM 505 CD GLU A 65 2.412 13.886 4.240 1.00 1.75 C ATOM 506 OE1 GLU A 65 1.911 12.750 4.407 1.00 2.17 O ATOM 507 OE2 GLU A 65 2.924 14.542 5.185 1.00 2.89 O ATOM 0 H GLU A 65 0.450 15.685 0.131 1.00 0.93 H new ATOM 0 HA GLU A 65 3.139 14.423 0.245 1.00 0.84 H new ATOM 0 HB2 GLU A 65 0.729 13.662 1.895 1.00 1.12 H new ATOM 0 HB3 GLU A 65 2.186 12.707 1.707 1.00 1.12 H new ATOM 0 HG2 GLU A 65 3.518 14.687 2.583 1.00 1.39 H new ATOM 0 HG3 GLU A 65 2.004 15.511 2.897 1.00 1.39 H new ATOM 514 N THR A 66 2.119 13.794 -2.013 1.00 0.71 N ATOM 515 CA THR A 66 1.557 13.502 -3.341 1.00 0.78 C ATOM 516 C THR A 66 1.882 12.108 -3.867 1.00 0.69 C ATOM 517 O THR A 66 1.175 11.601 -4.732 1.00 0.88 O ATOM 518 CB THR A 66 2.102 14.512 -4.366 1.00 0.87 C ATOM 519 OG1 THR A 66 3.517 14.472 -4.384 1.00 1.26 O ATOM 520 CG2 THR A 66 1.692 15.949 -4.062 1.00 0.98 C ATOM 0 H THR A 66 3.058 14.189 -2.061 1.00 0.71 H new ATOM 0 HA THR A 66 0.476 13.569 -3.218 1.00 0.78 H new ATOM 0 HB THR A 66 1.678 14.222 -5.327 1.00 0.87 H new ATOM 0 HG1 THR A 66 3.849 14.994 -5.144 1.00 1.26 H new ATOM 0 HG21 THR A 66 2.107 16.614 -4.820 1.00 0.98 H new ATOM 0 HG22 THR A 66 0.605 16.026 -4.067 1.00 0.98 H new ATOM 0 HG23 THR A 66 2.071 16.236 -3.081 1.00 0.98 H new ATOM 528 N HIS A 67 2.961 11.503 -3.382 1.00 0.49 N ATOM 529 CA HIS A 67 3.711 10.437 -4.052 1.00 0.49 C ATOM 530 C HIS A 67 4.120 9.384 -3.017 1.00 0.41 C ATOM 531 O HIS A 67 4.797 9.731 -2.041 1.00 0.43 O ATOM 532 CB HIS A 67 4.952 11.073 -4.710 1.00 0.58 C ATOM 533 CG HIS A 67 5.012 10.958 -6.209 1.00 0.88 C ATOM 534 ND1 HIS A 67 6.006 10.466 -7.023 1.00 1.21 N ATOM 535 CD2 HIS A 67 4.067 11.492 -7.024 1.00 1.00 C ATOM 536 CE1 HIS A 67 5.657 10.709 -8.299 1.00 1.45 C ATOM 537 NE2 HIS A 67 4.478 11.359 -8.359 1.00 1.34 N ATOM 0 H HIS A 67 3.356 11.749 -2.474 1.00 0.49 H new ATOM 0 HA HIS A 67 3.106 9.948 -4.815 1.00 0.49 H new ATOM 0 HB2 HIS A 67 4.985 12.129 -4.441 1.00 0.58 H new ATOM 0 HB3 HIS A 67 5.844 10.609 -4.290 1.00 0.58 H new ATOM 0 HD1 HIS A 67 6.858 9.999 -6.713 1.00 1.21 H new ATOM 0 HD2 HIS A 67 3.144 11.947 -6.697 1.00 1.00 H new ATOM 0 HE1 HIS A 67 6.243 10.422 -9.160 1.00 1.45 H new ATOM 545 N PHE A 68 3.735 8.120 -3.206 1.00 0.47 N ATOM 546 CA PHE A 68 3.742 7.151 -2.092 1.00 0.47 C ATOM 547 C PHE A 68 4.247 5.727 -2.409 1.00 0.49 C ATOM 548 O PHE A 68 4.114 5.252 -3.535 1.00 0.57 O ATOM 549 CB PHE A 68 2.336 7.124 -1.461 1.00 0.60 C ATOM 550 CG PHE A 68 2.409 6.790 0.011 1.00 0.80 C ATOM 551 CD1 PHE A 68 2.694 7.797 0.956 1.00 2.06 C ATOM 552 CD2 PHE A 68 2.333 5.449 0.416 1.00 1.95 C ATOM 553 CE1 PHE A 68 2.936 7.455 2.300 1.00 2.36 C ATOM 554 CE2 PHE A 68 2.604 5.112 1.749 1.00 2.38 C ATOM 555 CZ PHE A 68 2.916 6.107 2.681 1.00 1.96 C ATOM 0 H PHE A 68 3.419 7.742 -4.099 1.00 0.47 H new ATOM 0 HA PHE A 68 4.494 7.513 -1.390 1.00 0.47 H new ATOM 0 HB2 PHE A 68 1.855 8.093 -1.594 1.00 0.60 H new ATOM 0 HB3 PHE A 68 1.717 6.388 -1.974 1.00 0.60 H new ATOM 0 HD1 PHE A 68 2.727 8.832 0.648 1.00 2.06 H new ATOM 0 HD2 PHE A 68 2.067 4.681 -0.295 1.00 1.95 H new ATOM 0 HE1 PHE A 68 3.135 8.225 3.031 1.00 2.36 H new ATOM 0 HE2 PHE A 68 2.572 4.078 2.058 1.00 2.38 H new ATOM 0 HZ PHE A 68 3.143 5.834 3.701 1.00 1.96 H new ATOM 565 N ARG A 69 4.794 5.006 -1.419 1.00 0.53 N ATOM 566 CA ARG A 69 5.198 3.592 -1.521 1.00 0.58 C ATOM 567 C ARG A 69 4.738 2.774 -0.305 1.00 0.58 C ATOM 568 O ARG A 69 4.878 3.234 0.825 1.00 0.66 O ATOM 569 CB ARG A 69 6.728 3.498 -1.705 1.00 0.63 C ATOM 570 CG ARG A 69 7.152 2.269 -2.531 1.00 1.26 C ATOM 571 CD ARG A 69 6.949 2.509 -4.036 1.00 1.37 C ATOM 572 NE ARG A 69 7.908 3.486 -4.597 1.00 2.43 N ATOM 573 CZ ARG A 69 9.220 3.384 -4.721 1.00 3.09 C ATOM 574 NH1 ARG A 69 9.872 2.290 -4.461 1.00 3.25 N ATOM 575 NH2 ARG A 69 9.926 4.400 -5.115 1.00 4.44 N ATOM 0 H ARG A 69 4.974 5.401 -0.496 1.00 0.53 H new ATOM 0 HA ARG A 69 4.707 3.162 -2.394 1.00 0.58 H new ATOM 0 HB2 ARG A 69 7.087 4.402 -2.196 1.00 0.63 H new ATOM 0 HB3 ARG A 69 7.206 3.455 -0.726 1.00 0.63 H new ATOM 0 HG2 ARG A 69 8.200 2.041 -2.335 1.00 1.26 H new ATOM 0 HG3 ARG A 69 6.573 1.400 -2.218 1.00 1.26 H new ATOM 0 HD2 ARG A 69 7.050 1.562 -4.567 1.00 1.37 H new ATOM 0 HD3 ARG A 69 5.933 2.864 -4.208 1.00 1.37 H new ATOM 0 HE ARG A 69 7.501 4.358 -4.934 1.00 2.43 H new ATOM 0 HH11 ARG A 69 9.370 1.460 -4.146 1.00 3.25 H new ATOM 0 HH12 ARG A 69 10.886 2.262 -4.572 1.00 3.25 H new ATOM 0 HH21 ARG A 69 9.469 5.286 -5.332 1.00 4.44 H new ATOM 0 HH22 ARG A 69 10.938 4.313 -5.208 1.00 4.44 H new ATOM 589 N VAL A 70 4.186 1.574 -0.511 1.00 0.59 N ATOM 590 CA VAL A 70 3.780 0.654 0.584 1.00 0.53 C ATOM 591 C VAL A 70 4.329 -0.759 0.381 1.00 0.49 C ATOM 592 O VAL A 70 4.142 -1.339 -0.690 1.00 0.61 O ATOM 593 CB VAL A 70 2.244 0.514 0.753 1.00 0.65 C ATOM 594 CG1 VAL A 70 1.891 0.251 2.228 1.00 0.79 C ATOM 595 CG2 VAL A 70 1.404 1.701 0.269 1.00 0.75 C ATOM 0 H VAL A 70 4.003 1.201 -1.443 1.00 0.59 H new ATOM 0 HA VAL A 70 4.200 1.118 1.476 1.00 0.53 H new ATOM 0 HB VAL A 70 1.987 -0.326 0.107 1.00 0.65 H new ATOM 0 HG11 VAL A 70 0.810 0.155 2.332 1.00 0.79 H new ATOM 0 HG12 VAL A 70 2.371 -0.670 2.558 1.00 0.79 H new ATOM 0 HG13 VAL A 70 2.242 1.082 2.840 1.00 0.79 H new ATOM 0 HG21 VAL A 70 0.348 1.492 0.437 1.00 0.75 H new ATOM 0 HG22 VAL A 70 1.688 2.597 0.821 1.00 0.75 H new ATOM 0 HG23 VAL A 70 1.578 1.860 -0.795 1.00 0.75 H new ATOM 605 N ALA A 71 4.852 -1.363 1.449 1.00 0.45 N ATOM 606 CA ALA A 71 5.037 -2.819 1.530 1.00 0.48 C ATOM 607 C ALA A 71 3.942 -3.417 2.426 1.00 0.50 C ATOM 608 O ALA A 71 3.823 -3.035 3.594 1.00 0.55 O ATOM 609 CB ALA A 71 6.449 -3.176 2.021 1.00 0.57 C ATOM 0 H ALA A 71 5.160 -0.861 2.282 1.00 0.45 H new ATOM 0 HA ALA A 71 4.943 -3.252 0.534 1.00 0.48 H new ATOM 0 HB1 ALA A 71 6.554 -4.260 2.070 1.00 0.57 H new ATOM 0 HB2 ALA A 71 7.188 -2.771 1.330 1.00 0.57 H new ATOM 0 HB3 ALA A 71 6.608 -2.751 3.012 1.00 0.57 H new ATOM 615 N VAL A 72 3.127 -4.336 1.895 1.00 0.52 N ATOM 616 CA VAL A 72 1.966 -4.912 2.599 1.00 0.56 C ATOM 617 C VAL A 72 2.025 -6.441 2.630 1.00 0.58 C ATOM 618 O VAL A 72 2.374 -7.079 1.636 1.00 0.72 O ATOM 619 CB VAL A 72 0.615 -4.419 2.029 1.00 0.61 C ATOM 620 CG1 VAL A 72 0.530 -2.890 2.007 1.00 1.39 C ATOM 621 CG2 VAL A 72 0.294 -4.898 0.608 1.00 1.49 C ATOM 0 H VAL A 72 3.253 -4.708 0.954 1.00 0.52 H new ATOM 0 HA VAL A 72 2.025 -4.551 3.626 1.00 0.56 H new ATOM 0 HB VAL A 72 -0.112 -4.858 2.713 1.00 0.61 H new ATOM 0 HG11 VAL A 72 -0.434 -2.585 1.600 1.00 1.39 H new ATOM 0 HG12 VAL A 72 0.634 -2.505 3.022 1.00 1.39 H new ATOM 0 HG13 VAL A 72 1.330 -2.490 1.384 1.00 1.39 H new ATOM 0 HG21 VAL A 72 -0.672 -4.499 0.299 1.00 1.49 H new ATOM 0 HG22 VAL A 72 1.066 -4.548 -0.077 1.00 1.49 H new ATOM 0 HG23 VAL A 72 0.260 -5.987 0.590 1.00 1.49 H new ATOM 631 N VAL A 73 1.659 -7.052 3.760 1.00 0.49 N ATOM 632 CA VAL A 73 1.691 -8.520 3.914 1.00 0.49 C ATOM 633 C VAL A 73 0.477 -9.040 4.666 1.00 0.49 C ATOM 634 O VAL A 73 0.160 -8.539 5.755 1.00 0.53 O ATOM 635 CB VAL A 73 3.038 -8.995 4.497 1.00 0.63 C ATOM 636 CG1 VAL A 73 3.026 -9.764 5.821 1.00 1.12 C ATOM 637 CG2 VAL A 73 3.826 -9.775 3.471 1.00 1.52 C ATOM 0 H VAL A 73 1.334 -6.555 4.589 1.00 0.49 H new ATOM 0 HA VAL A 73 1.623 -8.965 2.921 1.00 0.49 H new ATOM 0 HB VAL A 73 3.516 -8.049 4.753 1.00 0.63 H new ATOM 0 HG11 VAL A 73 4.047 -10.028 6.098 1.00 1.12 H new ATOM 0 HG12 VAL A 73 2.589 -9.140 6.600 1.00 1.12 H new ATOM 0 HG13 VAL A 73 2.434 -10.672 5.709 1.00 1.12 H new ATOM 0 HG21 VAL A 73 4.771 -10.098 3.907 1.00 1.52 H new ATOM 0 HG22 VAL A 73 3.253 -10.648 3.159 1.00 1.52 H new ATOM 0 HG23 VAL A 73 4.023 -9.142 2.606 1.00 1.52 H new ATOM 647 N SER A 74 -0.181 -10.034 4.054 1.00 0.51 N ATOM 648 CA SER A 74 -1.379 -10.704 4.590 1.00 0.60 C ATOM 649 C SER A 74 -1.608 -12.078 3.947 1.00 0.63 C ATOM 650 O SER A 74 -1.339 -12.274 2.764 1.00 0.62 O ATOM 651 CB SER A 74 -2.629 -9.846 4.349 1.00 0.67 C ATOM 652 OG SER A 74 -3.799 -10.549 4.724 1.00 0.80 O ATOM 0 H SER A 74 0.110 -10.405 3.150 1.00 0.51 H new ATOM 0 HA SER A 74 -1.208 -10.838 5.658 1.00 0.60 H new ATOM 0 HB2 SER A 74 -2.556 -8.920 4.920 1.00 0.67 H new ATOM 0 HB3 SER A 74 -2.688 -9.568 3.297 1.00 0.67 H new ATOM 0 HG SER A 74 -4.585 -9.985 4.565 1.00 0.80 H new ATOM 658 N SER A 75 -2.169 -13.022 4.704 1.00 0.80 N ATOM 659 CA SER A 75 -2.618 -14.328 4.192 1.00 0.95 C ATOM 660 C SER A 75 -3.914 -14.261 3.377 1.00 0.89 C ATOM 661 O SER A 75 -4.302 -15.258 2.764 1.00 1.06 O ATOM 662 CB SER A 75 -2.783 -15.330 5.335 1.00 1.34 C ATOM 663 OG SER A 75 -1.512 -15.788 5.750 1.00 3.01 O ATOM 0 H SER A 75 -2.329 -12.904 5.705 1.00 0.80 H new ATOM 0 HA SER A 75 -1.834 -14.660 3.511 1.00 0.95 H new ATOM 0 HB2 SER A 75 -3.303 -14.862 6.171 1.00 1.34 H new ATOM 0 HB3 SER A 75 -3.396 -16.171 5.010 1.00 1.34 H new ATOM 0 HG SER A 75 -1.619 -16.429 6.484 1.00 3.01 H new ATOM 669 N ARG A 76 -4.576 -13.099 3.290 1.00 0.81 N ATOM 670 CA ARG A 76 -5.701 -12.876 2.362 1.00 0.89 C ATOM 671 C ARG A 76 -5.308 -13.023 0.889 1.00 0.95 C ATOM 672 O ARG A 76 -6.154 -13.320 0.045 1.00 1.15 O ATOM 673 CB ARG A 76 -6.323 -11.503 2.622 1.00 0.88 C ATOM 674 CG ARG A 76 -7.137 -11.554 3.924 1.00 1.89 C ATOM 675 CD ARG A 76 -8.081 -10.362 4.044 1.00 1.56 C ATOM 676 NE ARG A 76 -8.880 -10.478 5.273 1.00 2.75 N ATOM 677 CZ ARG A 76 -10.137 -10.139 5.478 1.00 2.90 C ATOM 678 NH1 ARG A 76 -10.842 -9.457 4.624 1.00 3.03 N ATOM 679 NH2 ARG A 76 -10.693 -10.515 6.590 1.00 4.07 N ATOM 0 H ARG A 76 -4.349 -12.284 3.860 1.00 0.81 H new ATOM 0 HA ARG A 76 -6.436 -13.657 2.557 1.00 0.89 H new ATOM 0 HB2 ARG A 76 -5.543 -10.746 2.697 1.00 0.88 H new ATOM 0 HB3 ARG A 76 -6.965 -11.218 1.789 1.00 0.88 H new ATOM 0 HG2 ARG A 76 -7.712 -12.479 3.958 1.00 1.89 H new ATOM 0 HG3 ARG A 76 -6.459 -11.569 4.777 1.00 1.89 H new ATOM 0 HD2 ARG A 76 -7.509 -9.434 4.058 1.00 1.56 H new ATOM 0 HD3 ARG A 76 -8.738 -10.319 3.175 1.00 1.56 H new ATOM 0 HE ARG A 76 -8.395 -10.875 6.077 1.00 2.75 H new ATOM 0 HH11 ARG A 76 -10.425 -9.157 3.743 1.00 3.03 H new ATOM 0 HH12 ARG A 76 -11.812 -9.222 4.835 1.00 3.03 H new ATOM 0 HH21 ARG A 76 -10.158 -11.055 7.271 1.00 4.07 H new ATOM 0 HH22 ARG A 76 -11.664 -10.271 6.783 1.00 4.07 H new ATOM 693 N PHE A 77 -4.027 -12.858 0.576 1.00 0.87 N ATOM 694 CA PHE A 77 -3.483 -12.813 -0.771 1.00 0.94 C ATOM 695 C PHE A 77 -3.012 -14.191 -1.266 1.00 1.00 C ATOM 696 O PHE A 77 -2.277 -14.254 -2.248 1.00 1.08 O ATOM 697 CB PHE A 77 -2.344 -11.780 -0.810 1.00 0.92 C ATOM 698 CG PHE A 77 -2.548 -10.433 -0.127 1.00 0.89 C ATOM 699 CD1 PHE A 77 -3.823 -9.859 0.051 1.00 2.40 C ATOM 700 CD2 PHE A 77 -1.414 -9.742 0.336 1.00 2.17 C ATOM 701 CE1 PHE A 77 -3.956 -8.639 0.736 1.00 2.39 C ATOM 702 CE2 PHE A 77 -1.541 -8.514 1.003 1.00 2.46 C ATOM 703 CZ PHE A 77 -2.816 -7.961 1.207 1.00 1.43 C ATOM 0 H PHE A 77 -3.308 -12.747 1.291 1.00 0.87 H new ATOM 0 HA PHE A 77 -4.276 -12.512 -1.455 1.00 0.94 H new ATOM 0 HB2 PHE A 77 -1.463 -12.244 -0.367 1.00 0.92 H new ATOM 0 HB3 PHE A 77 -2.110 -11.587 -1.857 1.00 0.92 H new ATOM 0 HD1 PHE A 77 -4.698 -10.357 -0.339 1.00 2.40 H new ATOM 0 HD2 PHE A 77 -0.432 -10.162 0.176 1.00 2.17 H new ATOM 0 HE1 PHE A 77 -4.937 -8.220 0.902 1.00 2.39 H new ATOM 0 HE2 PHE A 77 -0.662 -7.996 1.358 1.00 2.46 H new ATOM 0 HZ PHE A 77 -2.921 -7.018 1.724 1.00 1.43 H new ATOM 713 N GLU A 78 -3.350 -15.296 -0.587 1.00 1.04 N ATOM 714 CA GLU A 78 -3.013 -16.634 -1.059 1.00 1.11 C ATOM 715 C GLU A 78 -3.995 -17.207 -2.102 1.00 1.22 C ATOM 716 O GLU A 78 -5.173 -16.841 -2.117 1.00 1.32 O ATOM 717 CB GLU A 78 -2.737 -17.566 0.134 1.00 1.22 C ATOM 718 CG GLU A 78 -3.963 -18.161 0.853 1.00 1.66 C ATOM 719 CD GLU A 78 -3.564 -19.140 1.976 1.00 1.79 C ATOM 720 OE1 GLU A 78 -2.569 -18.899 2.703 1.00 2.52 O ATOM 721 OE2 GLU A 78 -4.212 -20.211 2.127 1.00 2.54 O ATOM 0 H GLU A 78 -3.860 -15.282 0.296 1.00 1.04 H new ATOM 0 HA GLU A 78 -2.087 -16.554 -1.628 1.00 1.11 H new ATOM 0 HB2 GLU A 78 -2.116 -18.391 -0.216 1.00 1.22 H new ATOM 0 HB3 GLU A 78 -2.149 -17.014 0.867 1.00 1.22 H new ATOM 0 HG2 GLU A 78 -4.562 -17.353 1.274 1.00 1.66 H new ATOM 0 HG3 GLU A 78 -4.591 -18.679 0.128 1.00 1.66 H new ATOM 728 N GLY A 79 -3.527 -18.127 -2.956 1.00 1.40 N ATOM 729 CA GLY A 79 -4.354 -18.928 -3.883 1.00 1.65 C ATOM 730 C GLY A 79 -4.345 -18.495 -5.356 1.00 1.54 C ATOM 731 O GLY A 79 -4.969 -19.134 -6.207 1.00 2.05 O ATOM 0 H GLY A 79 -2.533 -18.345 -3.027 1.00 1.40 H new ATOM 0 HA2 GLY A 79 -4.020 -19.964 -3.830 1.00 1.65 H new ATOM 0 HA3 GLY A 79 -5.384 -18.906 -3.527 1.00 1.65 H new ATOM 735 N LEU A 80 -3.616 -17.422 -5.654 1.00 1.17 N ATOM 736 CA LEU A 80 -3.458 -16.739 -6.927 1.00 1.31 C ATOM 737 C LEU A 80 -2.013 -16.207 -7.048 1.00 1.03 C ATOM 738 O LEU A 80 -1.255 -16.215 -6.070 1.00 1.13 O ATOM 739 CB LEU A 80 -4.499 -15.599 -6.978 1.00 1.75 C ATOM 740 CG LEU A 80 -4.824 -14.829 -5.702 1.00 1.34 C ATOM 741 CD1 LEU A 80 -3.609 -14.262 -4.977 1.00 1.61 C ATOM 742 CD2 LEU A 80 -5.775 -13.666 -5.961 1.00 1.66 C ATOM 0 H LEU A 80 -3.064 -16.964 -4.928 1.00 1.17 H new ATOM 0 HA LEU A 80 -3.626 -17.412 -7.768 1.00 1.31 H new ATOM 0 HB2 LEU A 80 -4.158 -14.876 -7.719 1.00 1.75 H new ATOM 0 HB3 LEU A 80 -5.431 -16.023 -7.352 1.00 1.75 H new ATOM 0 HG LEU A 80 -5.287 -15.584 -5.066 1.00 1.34 H new ATOM 0 HD11 LEU A 80 -3.934 -13.731 -4.082 1.00 1.61 H new ATOM 0 HD12 LEU A 80 -2.942 -15.076 -4.694 1.00 1.61 H new ATOM 0 HD13 LEU A 80 -3.081 -13.573 -5.636 1.00 1.61 H new ATOM 0 HD21 LEU A 80 -5.978 -13.147 -5.024 1.00 1.66 H new ATOM 0 HD22 LEU A 80 -5.319 -12.973 -6.668 1.00 1.66 H new ATOM 0 HD23 LEU A 80 -6.709 -14.045 -6.376 1.00 1.66 H new ATOM 754 N SER A 81 -1.645 -15.695 -8.226 1.00 0.98 N ATOM 755 CA SER A 81 -0.425 -14.902 -8.393 1.00 1.09 C ATOM 756 C SER A 81 -0.542 -13.535 -7.694 1.00 1.19 C ATOM 757 O SER A 81 -1.567 -12.856 -7.855 1.00 0.98 O ATOM 758 CB SER A 81 -0.119 -14.666 -9.875 1.00 1.34 C ATOM 759 OG SER A 81 0.977 -13.777 -10.004 1.00 2.12 O ATOM 0 H SER A 81 -2.181 -15.818 -9.085 1.00 0.98 H new ATOM 0 HA SER A 81 0.384 -15.473 -7.937 1.00 1.09 H new ATOM 0 HB2 SER A 81 0.110 -15.613 -10.364 1.00 1.34 H new ATOM 0 HB3 SER A 81 -0.995 -14.253 -10.375 1.00 1.34 H new ATOM 0 HG SER A 81 1.170 -13.631 -10.954 1.00 2.12 H new ATOM 765 N PRO A 82 0.528 -13.052 -7.030 1.00 1.77 N ATOM 766 CA PRO A 82 0.652 -11.668 -6.569 1.00 1.93 C ATOM 767 C PRO A 82 0.367 -10.627 -7.661 1.00 1.56 C ATOM 768 O PRO A 82 -0.148 -9.555 -7.353 1.00 1.32 O ATOM 769 CB PRO A 82 2.092 -11.529 -6.065 1.00 2.56 C ATOM 770 CG PRO A 82 2.468 -12.949 -5.660 1.00 2.93 C ATOM 771 CD PRO A 82 1.722 -13.803 -6.677 1.00 2.34 C ATOM 0 HA PRO A 82 -0.091 -11.472 -5.796 1.00 1.93 H new ATOM 0 HB2 PRO A 82 2.753 -11.145 -6.842 1.00 2.56 H new ATOM 0 HB3 PRO A 82 2.157 -10.841 -5.222 1.00 2.56 H new ATOM 0 HG2 PRO A 82 3.545 -13.111 -5.709 1.00 2.93 H new ATOM 0 HG3 PRO A 82 2.158 -13.173 -4.639 1.00 2.93 H new ATOM 0 HD2 PRO A 82 2.339 -13.992 -7.556 1.00 2.34 H new ATOM 0 HD3 PRO A 82 1.462 -14.774 -6.256 1.00 2.34 H new ATOM 779 N LEU A 83 0.641 -10.945 -8.935 1.00 1.62 N ATOM 780 CA LEU A 83 0.434 -10.048 -10.077 1.00 1.49 C ATOM 781 C LEU A 83 -1.047 -9.931 -10.478 1.00 1.10 C ATOM 782 O LEU A 83 -1.491 -8.831 -10.821 1.00 1.10 O ATOM 783 CB LEU A 83 1.306 -10.509 -11.263 1.00 1.99 C ATOM 784 CG LEU A 83 2.823 -10.565 -10.982 1.00 4.04 C ATOM 785 CD1 LEU A 83 3.561 -11.026 -12.241 1.00 4.71 C ATOM 786 CD2 LEU A 83 3.397 -9.210 -10.562 1.00 5.05 C ATOM 0 H LEU A 83 1.021 -11.853 -9.204 1.00 1.62 H new ATOM 0 HA LEU A 83 0.741 -9.047 -9.776 1.00 1.49 H new ATOM 0 HB2 LEU A 83 0.974 -11.499 -11.574 1.00 1.99 H new ATOM 0 HB3 LEU A 83 1.133 -9.836 -12.103 1.00 1.99 H new ATOM 0 HG LEU A 83 2.964 -11.265 -10.158 1.00 4.04 H new ATOM 0 HD11 LEU A 83 4.632 -11.065 -12.041 1.00 4.71 H new ATOM 0 HD12 LEU A 83 3.209 -12.017 -12.527 1.00 4.71 H new ATOM 0 HD13 LEU A 83 3.369 -10.325 -13.053 1.00 4.71 H new ATOM 0 HD21 LEU A 83 4.467 -9.309 -10.377 1.00 5.05 H new ATOM 0 HD22 LEU A 83 3.232 -8.483 -11.357 1.00 5.05 H new ATOM 0 HD23 LEU A 83 2.902 -8.871 -9.652 1.00 5.05 H new ATOM 798 N GLN A 84 -1.833 -11.012 -10.366 1.00 0.99 N ATOM 799 CA GLN A 84 -3.300 -10.949 -10.475 1.00 0.91 C ATOM 800 C GLN A 84 -3.894 -10.202 -9.271 1.00 0.92 C ATOM 801 O GLN A 84 -4.753 -9.339 -9.439 1.00 1.07 O ATOM 802 CB GLN A 84 -3.895 -12.365 -10.639 1.00 0.94 C ATOM 803 CG GLN A 84 -5.417 -12.391 -10.375 1.00 1.00 C ATOM 804 CD GLN A 84 -6.161 -13.615 -10.900 1.00 1.72 C ATOM 805 OE1 GLN A 84 -7.315 -13.528 -11.306 1.00 3.30 O ATOM 806 NE2 GLN A 84 -5.591 -14.799 -10.880 1.00 2.08 N ATOM 0 H GLN A 84 -1.473 -11.951 -10.198 1.00 0.99 H new ATOM 0 HA GLN A 84 -3.567 -10.386 -11.369 1.00 0.91 H new ATOM 0 HB2 GLN A 84 -3.696 -12.726 -11.648 1.00 0.94 H new ATOM 0 HB3 GLN A 84 -3.397 -13.049 -9.952 1.00 0.94 H new ATOM 0 HG2 GLN A 84 -5.581 -12.323 -9.300 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -5.860 -11.501 -10.822 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -4.632 -14.898 -10.547 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -6.108 -15.619 -11.198 1.00 2.08 H new ATOM 815 N ARG A 85 -3.396 -10.476 -8.060 1.00 0.92 N ATOM 816 CA ARG A 85 -3.745 -9.757 -6.820 1.00 1.01 C ATOM 817 C ARG A 85 -3.578 -8.233 -6.982 1.00 1.03 C ATOM 818 O ARG A 85 -4.508 -7.470 -6.728 1.00 1.25 O ATOM 819 CB ARG A 85 -2.912 -10.399 -5.682 1.00 1.08 C ATOM 820 CG ARG A 85 -2.278 -9.454 -4.659 1.00 1.77 C ATOM 821 CD ARG A 85 -3.361 -8.891 -3.741 1.00 3.38 C ATOM 822 NE ARG A 85 -2.861 -7.866 -2.817 1.00 4.54 N ATOM 823 CZ ARG A 85 -3.642 -7.103 -2.074 1.00 6.47 C ATOM 824 NH1 ARG A 85 -4.926 -7.309 -1.989 1.00 7.51 N ATOM 825 NH2 ARG A 85 -3.141 -6.097 -1.416 1.00 7.74 N ATOM 0 H ARG A 85 -2.720 -11.224 -7.907 1.00 0.92 H new ATOM 0 HA ARG A 85 -4.800 -9.861 -6.567 1.00 1.01 H new ATOM 0 HB2 ARG A 85 -3.555 -11.096 -5.145 1.00 1.08 H new ATOM 0 HB3 ARG A 85 -2.115 -10.987 -6.137 1.00 1.08 H new ATOM 0 HG2 ARG A 85 -1.530 -9.987 -4.072 1.00 1.77 H new ATOM 0 HG3 ARG A 85 -1.762 -8.641 -5.170 1.00 1.77 H new ATOM 0 HD2 ARG A 85 -4.158 -8.464 -4.350 1.00 3.38 H new ATOM 0 HD3 ARG A 85 -3.800 -9.706 -3.166 1.00 3.38 H new ATOM 0 HE ARG A 85 -1.852 -7.735 -2.745 1.00 4.54 H new ATOM 0 HH11 ARG A 85 -5.355 -8.077 -2.505 1.00 7.51 H new ATOM 0 HH12 ARG A 85 -5.502 -6.702 -1.406 1.00 7.51 H new ATOM 0 HH21 ARG A 85 -2.143 -5.896 -1.474 1.00 7.74 H new ATOM 0 HH22 ARG A 85 -3.747 -5.510 -0.843 1.00 7.74 H new ATOM 839 N HIS A 86 -2.411 -7.795 -7.448 1.00 0.89 N ATOM 840 CA HIS A 86 -2.088 -6.409 -7.768 1.00 0.84 C ATOM 841 C HIS A 86 -3.035 -5.845 -8.837 1.00 0.92 C ATOM 842 O HIS A 86 -3.684 -4.836 -8.577 1.00 1.06 O ATOM 843 CB HIS A 86 -0.624 -6.377 -8.220 1.00 0.86 C ATOM 844 CG HIS A 86 0.385 -6.035 -7.157 1.00 0.93 C ATOM 845 ND1 HIS A 86 1.462 -5.204 -7.334 1.00 0.92 N ATOM 846 CD2 HIS A 86 0.528 -6.616 -5.926 1.00 1.18 C ATOM 847 CE1 HIS A 86 2.235 -5.273 -6.244 1.00 1.04 C ATOM 848 NE2 HIS A 86 1.715 -6.137 -5.352 1.00 1.22 N ATOM 0 H HIS A 86 -1.629 -8.427 -7.620 1.00 0.89 H new ATOM 0 HA HIS A 86 -2.221 -5.772 -6.893 1.00 0.84 H new ATOM 0 HB2 HIS A 86 -0.370 -7.353 -8.634 1.00 0.86 H new ATOM 0 HB3 HIS A 86 -0.530 -5.653 -9.030 1.00 0.86 H new ATOM 0 HD1 HIS A 86 1.643 -4.630 -8.158 1.00 0.92 H new ATOM 0 HD2 HIS A 86 -0.155 -7.321 -5.475 1.00 1.18 H new ATOM 0 HE1 HIS A 86 3.148 -4.714 -6.100 1.00 1.04 H new ATOM 856 N ARG A 87 -3.222 -6.531 -9.977 1.00 1.02 N ATOM 857 CA ARG A 87 -4.177 -6.128 -11.033 1.00 1.31 C ATOM 858 C ARG A 87 -5.589 -5.886 -10.476 1.00 1.46 C ATOM 859 O ARG A 87 -6.200 -4.862 -10.779 1.00 1.66 O ATOM 860 CB ARG A 87 -4.182 -7.200 -12.138 1.00 1.45 C ATOM 861 CG ARG A 87 -5.082 -6.841 -13.330 1.00 2.04 C ATOM 862 CD ARG A 87 -5.189 -8.024 -14.298 1.00 2.78 C ATOM 863 NE ARG A 87 -6.149 -7.734 -15.376 1.00 3.41 N ATOM 864 CZ ARG A 87 -7.039 -8.556 -15.905 1.00 4.54 C ATOM 865 NH1 ARG A 87 -7.126 -9.818 -15.587 1.00 5.49 N ATOM 866 NH2 ARG A 87 -7.881 -8.105 -16.784 1.00 5.27 N ATOM 0 H ARG A 87 -2.713 -7.387 -10.197 1.00 1.02 H new ATOM 0 HA ARG A 87 -3.853 -5.176 -11.453 1.00 1.31 H new ATOM 0 HB2 ARG A 87 -3.163 -7.350 -12.494 1.00 1.45 H new ATOM 0 HB3 ARG A 87 -4.514 -8.148 -11.714 1.00 1.45 H new ATOM 0 HG2 ARG A 87 -6.074 -6.564 -12.974 1.00 2.04 H new ATOM 0 HG3 ARG A 87 -4.677 -5.973 -13.851 1.00 2.04 H new ATOM 0 HD2 ARG A 87 -4.210 -8.239 -14.726 1.00 2.78 H new ATOM 0 HD3 ARG A 87 -5.503 -8.916 -13.756 1.00 2.78 H new ATOM 0 HE ARG A 87 -6.125 -6.789 -15.759 1.00 3.41 H new ATOM 0 HH11 ARG A 87 -6.487 -10.216 -14.898 1.00 5.49 H new ATOM 0 HH12 ARG A 87 -7.833 -10.407 -16.027 1.00 5.49 H new ATOM 0 HH21 ARG A 87 -7.852 -7.124 -17.061 1.00 5.27 H new ATOM 0 HH22 ARG A 87 -8.571 -8.732 -17.198 1.00 5.27 H new ATOM 880 N LEU A 88 -6.084 -6.773 -9.611 1.00 1.48 N ATOM 881 CA LEU A 88 -7.374 -6.643 -8.948 1.00 1.79 C ATOM 882 C LEU A 88 -7.418 -5.430 -8.003 1.00 1.75 C ATOM 883 O LEU A 88 -8.383 -4.671 -8.052 1.00 1.89 O ATOM 884 CB LEU A 88 -7.660 -7.971 -8.228 1.00 1.97 C ATOM 885 CG LEU A 88 -8.048 -9.137 -9.162 1.00 3.26 C ATOM 886 CD1 LEU A 88 -8.021 -10.455 -8.387 1.00 3.42 C ATOM 887 CD2 LEU A 88 -9.451 -8.962 -9.751 1.00 4.67 C ATOM 0 H LEU A 88 -5.583 -7.622 -9.348 1.00 1.48 H new ATOM 0 HA LEU A 88 -8.158 -6.451 -9.681 1.00 1.79 H new ATOM 0 HB2 LEU A 88 -6.776 -8.258 -7.658 1.00 1.97 H new ATOM 0 HB3 LEU A 88 -8.465 -7.814 -7.510 1.00 1.97 H new ATOM 0 HG LEU A 88 -7.324 -9.146 -9.976 1.00 3.26 H new ATOM 0 HD11 LEU A 88 -8.296 -11.274 -9.052 1.00 3.42 H new ATOM 0 HD12 LEU A 88 -7.018 -10.626 -7.995 1.00 3.42 H new ATOM 0 HD13 LEU A 88 -8.730 -10.406 -7.560 1.00 3.42 H new ATOM 0 HD21 LEU A 88 -9.680 -9.806 -10.401 1.00 4.67 H new ATOM 0 HD22 LEU A 88 -10.182 -8.917 -8.943 1.00 4.67 H new ATOM 0 HD23 LEU A 88 -9.491 -8.038 -10.328 1.00 4.67 H new ATOM 899 N VAL A 89 -6.376 -5.162 -7.207 1.00 1.59 N ATOM 900 CA VAL A 89 -6.281 -3.913 -6.410 1.00 1.64 C ATOM 901 C VAL A 89 -6.223 -2.660 -7.298 1.00 1.61 C ATOM 902 O VAL A 89 -6.817 -1.635 -6.975 1.00 1.76 O ATOM 903 CB VAL A 89 -5.059 -3.965 -5.468 1.00 1.54 C ATOM 904 CG1 VAL A 89 -4.774 -2.643 -4.737 1.00 1.63 C ATOM 905 CG2 VAL A 89 -5.272 -5.020 -4.380 1.00 1.78 C ATOM 0 H VAL A 89 -5.580 -5.789 -7.091 1.00 1.59 H new ATOM 0 HA VAL A 89 -7.189 -3.842 -5.811 1.00 1.64 H new ATOM 0 HB VAL A 89 -4.216 -4.196 -6.120 1.00 1.54 H new ATOM 0 HG11 VAL A 89 -3.901 -2.763 -4.096 1.00 1.63 H new ATOM 0 HG12 VAL A 89 -4.582 -1.857 -5.468 1.00 1.63 H new ATOM 0 HG13 VAL A 89 -5.636 -2.370 -4.129 1.00 1.63 H new ATOM 0 HG21 VAL A 89 -4.403 -5.046 -3.723 1.00 1.78 H new ATOM 0 HG22 VAL A 89 -6.159 -4.769 -3.798 1.00 1.78 H new ATOM 0 HG23 VAL A 89 -5.406 -5.998 -4.843 1.00 1.78 H new ATOM 915 N HIS A 90 -5.551 -2.731 -8.440 1.00 1.50 N ATOM 916 CA HIS A 90 -5.301 -1.603 -9.338 1.00 1.54 C ATOM 917 C HIS A 90 -6.564 -1.208 -10.113 1.00 1.78 C ATOM 918 O HIS A 90 -6.812 -0.017 -10.295 1.00 1.87 O ATOM 919 CB HIS A 90 -4.163 -1.934 -10.319 1.00 1.46 C ATOM 920 CG HIS A 90 -2.759 -2.031 -9.760 1.00 1.28 C ATOM 921 ND1 HIS A 90 -1.610 -2.040 -10.520 1.00 1.30 N ATOM 922 CD2 HIS A 90 -2.365 -2.175 -8.455 1.00 1.21 C ATOM 923 CE1 HIS A 90 -0.559 -2.217 -9.707 1.00 1.17 C ATOM 924 NE2 HIS A 90 -0.967 -2.274 -8.427 1.00 1.11 N ATOM 0 H HIS A 90 -5.150 -3.604 -8.781 1.00 1.50 H new ATOM 0 HA HIS A 90 -5.004 -0.755 -8.721 1.00 1.54 H new ATOM 0 HB2 HIS A 90 -4.399 -2.884 -10.799 1.00 1.46 H new ATOM 0 HB3 HIS A 90 -4.161 -1.174 -11.100 1.00 1.46 H new ATOM 0 HD1 HIS A 90 -1.566 -1.930 -11.533 1.00 1.30 H new ATOM 0 HD2 HIS A 90 -3.019 -2.207 -7.596 1.00 1.21 H new ATOM 0 HE1 HIS A 90 0.467 -2.302 -10.033 1.00 1.17 H new ATOM 932 N ALA A 91 -7.362 -2.175 -10.581 1.00 1.94 N ATOM 933 CA ALA A 91 -8.628 -1.910 -11.266 1.00 2.25 C ATOM 934 C ALA A 91 -9.870 -1.822 -10.364 1.00 2.47 C ATOM 935 O ALA A 91 -10.817 -1.109 -10.721 1.00 2.82 O ATOM 936 CB ALA A 91 -8.791 -2.928 -12.400 1.00 2.51 C ATOM 0 H ALA A 91 -7.144 -3.168 -10.494 1.00 1.94 H new ATOM 0 HA ALA A 91 -8.565 -0.899 -11.670 1.00 2.25 H new ATOM 0 HB1 ALA A 91 -9.730 -2.745 -12.921 1.00 2.51 H new ATOM 0 HB2 ALA A 91 -7.962 -2.828 -13.100 1.00 2.51 H new ATOM 0 HB3 ALA A 91 -8.797 -3.936 -11.986 1.00 2.51 H new ATOM 942 N ALA A 92 -9.893 -2.501 -9.211 1.00 2.36 N ATOM 943 CA ALA A 92 -11.001 -2.401 -8.258 1.00 2.57 C ATOM 944 C ALA A 92 -10.810 -1.283 -7.241 1.00 2.61 C ATOM 945 O ALA A 92 -11.777 -0.587 -6.916 1.00 2.94 O ATOM 946 CB ALA A 92 -11.226 -3.734 -7.529 1.00 2.52 C ATOM 0 H ALA A 92 -9.148 -3.131 -8.915 1.00 2.36 H new ATOM 0 HA ALA A 92 -11.884 -2.158 -8.849 1.00 2.57 H new ATOM 0 HB1 ALA A 92 -12.054 -3.630 -6.828 1.00 2.52 H new ATOM 0 HB2 ALA A 92 -11.461 -4.511 -8.256 1.00 2.52 H new ATOM 0 HB3 ALA A 92 -10.322 -4.008 -6.985 1.00 2.52 H new ATOM 952 N LEU A 93 -9.596 -1.124 -6.706 1.00 2.29 N ATOM 953 CA LEU A 93 -9.384 -0.338 -5.482 1.00 2.17 C ATOM 954 C LEU A 93 -8.549 0.918 -5.671 1.00 1.80 C ATOM 955 O LEU A 93 -8.073 1.521 -4.704 1.00 1.63 O ATOM 956 CB LEU A 93 -8.798 -1.213 -4.396 1.00 2.25 C ATOM 957 CG LEU A 93 -9.688 -2.394 -3.983 1.00 3.01 C ATOM 958 CD1 LEU A 93 -9.194 -2.709 -2.601 1.00 2.17 C ATOM 959 CD2 LEU A 93 -11.192 -2.140 -3.859 1.00 3.97 C ATOM 0 H LEU A 93 -8.745 -1.527 -7.098 1.00 2.29 H new ATOM 0 HA LEU A 93 -10.370 0.019 -5.185 1.00 2.17 H new ATOM 0 HB2 LEU A 93 -7.837 -1.600 -4.737 1.00 2.25 H new ATOM 0 HB3 LEU A 93 -8.601 -0.598 -3.518 1.00 2.25 H new ATOM 0 HG LEU A 93 -9.610 -3.159 -4.756 1.00 3.01 H new ATOM 0 HD11 LEU A 93 -9.760 -3.547 -2.194 1.00 2.17 H new ATOM 0 HD12 LEU A 93 -8.137 -2.972 -2.644 1.00 2.17 H new ATOM 0 HD13 LEU A 93 -9.326 -1.837 -1.960 1.00 2.17 H new ATOM 0 HD21 LEU A 93 -11.693 -3.061 -3.561 1.00 3.97 H new ATOM 0 HD22 LEU A 93 -11.370 -1.371 -3.108 1.00 3.97 H new ATOM 0 HD23 LEU A 93 -11.585 -1.807 -4.820 1.00 3.97 H new ATOM 971 N ALA A 94 -8.416 1.339 -6.917 1.00 1.82 N ATOM 972 CA ALA A 94 -7.725 2.590 -7.221 1.00 1.58 C ATOM 973 C ALA A 94 -8.233 3.804 -6.420 1.00 1.42 C ATOM 974 O ALA A 94 -7.429 4.660 -6.056 1.00 1.26 O ATOM 975 CB ALA A 94 -7.797 2.869 -8.724 1.00 1.91 C ATOM 0 H ALA A 94 -8.773 0.841 -7.732 1.00 1.82 H new ATOM 0 HA ALA A 94 -6.689 2.451 -6.911 1.00 1.58 H new ATOM 0 HB1 ALA A 94 -7.280 3.803 -8.946 1.00 1.91 H new ATOM 0 HB2 ALA A 94 -7.322 2.053 -9.269 1.00 1.91 H new ATOM 0 HB3 ALA A 94 -8.840 2.950 -9.029 1.00 1.91 H new ATOM 981 N GLU A 95 -9.520 3.892 -6.074 1.00 1.57 N ATOM 982 CA GLU A 95 -10.035 4.993 -5.256 1.00 1.56 C ATOM 983 C GLU A 95 -9.851 4.751 -3.749 1.00 1.64 C ATOM 984 O GLU A 95 -9.902 5.712 -2.984 1.00 1.75 O ATOM 985 CB GLU A 95 -11.480 5.319 -5.672 1.00 1.95 C ATOM 986 CG GLU A 95 -12.003 6.706 -5.255 1.00 1.97 C ATOM 987 CD GLU A 95 -11.369 7.915 -5.965 1.00 3.14 C ATOM 988 OE1 GLU A 95 -10.418 7.775 -6.778 1.00 4.33 O ATOM 989 OE2 GLU A 95 -11.816 9.057 -5.685 1.00 4.01 O ATOM 0 H GLU A 95 -10.227 3.211 -6.349 1.00 1.57 H new ATOM 0 HA GLU A 95 -9.437 5.884 -5.450 1.00 1.56 H new ATOM 0 HB2 GLU A 95 -11.553 5.235 -6.756 1.00 1.95 H new ATOM 0 HB3 GLU A 95 -12.139 4.561 -5.249 1.00 1.95 H new ATOM 0 HG2 GLU A 95 -13.079 6.733 -5.429 1.00 1.97 H new ATOM 0 HG3 GLU A 95 -11.851 6.821 -4.182 1.00 1.97 H new ATOM 996 N GLU A 96 -9.606 3.520 -3.275 1.00 1.68 N ATOM 997 CA GLU A 96 -9.321 3.235 -1.896 1.00 1.75 C ATOM 998 C GLU A 96 -7.853 3.543 -1.583 1.00 1.57 C ATOM 999 O GLU A 96 -7.550 4.297 -0.659 1.00 1.75 O ATOM 1000 CB GLU A 96 -9.625 1.754 -1.704 1.00 1.87 C ATOM 1001 CG GLU A 96 -11.069 1.375 -2.054 1.00 2.02 C ATOM 1002 CD GLU A 96 -11.755 0.365 -1.115 1.00 1.98 C ATOM 1003 OE1 GLU A 96 -13.011 0.342 -1.137 1.00 2.77 O ATOM 1004 OE2 GLU A 96 -11.087 -0.385 -0.358 1.00 2.37 O ATOM 0 H GLU A 96 -9.605 2.690 -3.868 1.00 1.68 H new ATOM 0 HA GLU A 96 -9.920 3.847 -1.222 1.00 1.75 H new ATOM 0 HB2 GLU A 96 -8.944 1.169 -2.322 1.00 1.87 H new ATOM 0 HB3 GLU A 96 -9.428 1.482 -0.667 1.00 1.87 H new ATOM 0 HG2 GLU A 96 -11.667 2.286 -2.073 1.00 2.02 H new ATOM 0 HG3 GLU A 96 -11.080 0.966 -3.064 1.00 2.02 H new ATOM 1011 N LEU A 97 -6.941 2.992 -2.391 1.00 1.34 N ATOM 1012 CA LEU A 97 -5.500 3.084 -2.188 1.00 1.17 C ATOM 1013 C LEU A 97 -4.871 4.273 -2.933 1.00 1.26 C ATOM 1014 O LEU A 97 -4.018 4.960 -2.379 1.00 1.33 O ATOM 1015 CB LEU A 97 -4.926 1.726 -2.626 1.00 1.20 C ATOM 1016 CG LEU A 97 -4.000 1.067 -1.586 1.00 1.34 C ATOM 1017 CD1 LEU A 97 -3.689 -0.372 -2.002 1.00 2.04 C ATOM 1018 CD2 LEU A 97 -2.670 1.798 -1.407 1.00 2.23 C ATOM 0 H LEU A 97 -7.195 2.458 -3.222 1.00 1.34 H new ATOM 0 HA LEU A 97 -5.263 3.283 -1.143 1.00 1.17 H new ATOM 0 HB2 LEU A 97 -5.752 1.048 -2.842 1.00 1.20 H new ATOM 0 HB3 LEU A 97 -4.372 1.861 -3.555 1.00 1.20 H new ATOM 0 HG LEU A 97 -4.539 1.106 -0.639 1.00 1.34 H new ATOM 0 HD11 LEU A 97 -3.034 -0.831 -1.262 1.00 2.04 H new ATOM 0 HD12 LEU A 97 -4.617 -0.940 -2.068 1.00 2.04 H new ATOM 0 HD13 LEU A 97 -3.194 -0.371 -2.973 1.00 2.04 H new ATOM 0 HD21 LEU A 97 -2.068 1.280 -0.661 1.00 2.23 H new ATOM 0 HD22 LEU A 97 -2.134 1.817 -2.356 1.00 2.23 H new ATOM 0 HD23 LEU A 97 -2.858 2.820 -1.076 1.00 2.23 H new ATOM 1030 N GLY A 98 -5.331 4.579 -4.154 1.00 1.40 N ATOM 1031 CA GLY A 98 -4.901 5.752 -4.919 1.00 1.56 C ATOM 1032 C GLY A 98 -5.735 6.999 -4.604 1.00 1.30 C ATOM 1033 O GLY A 98 -5.509 8.058 -5.187 1.00 1.58 O ATOM 0 H GLY A 98 -6.022 4.009 -4.643 1.00 1.40 H new ATOM 0 HA2 GLY A 98 -3.852 5.957 -4.704 1.00 1.56 H new ATOM 0 HA3 GLY A 98 -4.971 5.532 -5.984 1.00 1.56 H new ATOM 1037 N GLY A 99 -6.702 6.890 -3.687 1.00 1.26 N ATOM 1038 CA GLY A 99 -7.594 7.984 -3.290 1.00 1.52 C ATOM 1039 C GLY A 99 -6.869 9.199 -2.693 1.00 1.75 C ATOM 1040 O GLY A 99 -7.055 10.318 -3.189 1.00 2.02 O ATOM 0 H GLY A 99 -6.890 6.020 -3.189 1.00 1.26 H new ATOM 0 HA2 GLY A 99 -8.165 8.307 -4.160 1.00 1.52 H new ATOM 0 HA3 GLY A 99 -8.311 7.607 -2.560 1.00 1.52 H new ATOM 1044 N PRO A 100 -6.030 9.024 -1.649 1.00 1.88 N ATOM 1045 CA PRO A 100 -5.429 10.144 -0.922 1.00 2.24 C ATOM 1046 C PRO A 100 -4.202 10.783 -1.609 1.00 1.89 C ATOM 1047 O PRO A 100 -3.785 11.873 -1.213 1.00 2.12 O ATOM 1048 CB PRO A 100 -5.126 9.575 0.467 1.00 2.69 C ATOM 1049 CG PRO A 100 -4.846 8.099 0.218 1.00 2.49 C ATOM 1050 CD PRO A 100 -5.815 7.777 -0.916 1.00 2.03 C ATOM 0 HA PRO A 100 -6.112 10.993 -0.882 1.00 2.24 H new ATOM 0 HB2 PRO A 100 -4.268 10.071 0.921 1.00 2.69 H new ATOM 0 HB3 PRO A 100 -5.969 9.711 1.145 1.00 2.69 H new ATOM 0 HG2 PRO A 100 -3.809 7.924 -0.069 1.00 2.49 H new ATOM 0 HG3 PRO A 100 -5.038 7.493 1.103 1.00 2.49 H new ATOM 0 HD2 PRO A 100 -5.404 7.009 -1.571 1.00 2.03 H new ATOM 0 HD3 PRO A 100 -6.756 7.391 -0.524 1.00 2.03 H new ATOM 1058 N VAL A 101 -3.639 10.143 -2.639 1.00 1.48 N ATOM 1059 CA VAL A 101 -2.382 10.454 -3.317 1.00 1.29 C ATOM 1060 C VAL A 101 -2.582 10.967 -4.755 1.00 1.53 C ATOM 1061 O VAL A 101 -3.664 10.838 -5.330 1.00 1.99 O ATOM 1062 CB VAL A 101 -1.540 9.169 -3.328 1.00 1.06 C ATOM 1063 CG1 VAL A 101 -1.151 8.694 -1.925 1.00 1.73 C ATOM 1064 CG2 VAL A 101 -2.233 8.006 -4.037 1.00 2.45 C ATOM 0 H VAL A 101 -4.090 9.327 -3.052 1.00 1.48 H new ATOM 0 HA VAL A 101 -1.884 11.261 -2.779 1.00 1.29 H new ATOM 0 HB VAL A 101 -0.643 9.451 -3.879 1.00 1.06 H new ATOM 0 HG11 VAL A 101 -0.558 7.783 -2.001 1.00 1.73 H new ATOM 0 HG12 VAL A 101 -0.566 9.468 -1.428 1.00 1.73 H new ATOM 0 HG13 VAL A 101 -2.052 8.493 -1.346 1.00 1.73 H new ATOM 0 HG21 VAL A 101 -1.588 7.128 -4.011 1.00 2.45 H new ATOM 0 HG22 VAL A 101 -3.173 7.781 -3.533 1.00 2.45 H new ATOM 0 HG23 VAL A 101 -2.433 8.279 -5.073 1.00 2.45 H new ATOM 1074 N HIS A 102 -1.537 11.534 -5.360 1.00 1.38 N ATOM 1075 CA HIS A 102 -1.464 11.853 -6.797 1.00 1.52 C ATOM 1076 C HIS A 102 -0.652 10.804 -7.597 1.00 1.47 C ATOM 1077 O HIS A 102 -0.870 10.661 -8.805 1.00 1.71 O ATOM 1078 CB HIS A 102 -0.911 13.276 -6.978 1.00 1.61 C ATOM 1079 CG HIS A 102 -1.822 14.362 -6.450 1.00 2.70 C ATOM 1080 ND1 HIS A 102 -2.573 15.239 -7.204 1.00 3.46 N ATOM 1081 CD2 HIS A 102 -2.062 14.668 -5.136 1.00 3.50 C ATOM 1082 CE1 HIS A 102 -3.255 16.039 -6.369 1.00 4.72 C ATOM 1083 NE2 HIS A 102 -2.982 15.722 -5.092 1.00 4.83 N ATOM 0 H HIS A 102 -0.690 11.794 -4.854 1.00 1.38 H new ATOM 0 HA HIS A 102 -2.472 11.814 -7.209 1.00 1.52 H new ATOM 0 HB2 HIS A 102 0.053 13.347 -6.473 1.00 1.61 H new ATOM 0 HB3 HIS A 102 -0.729 13.452 -8.038 1.00 1.61 H new ATOM 0 HD2 HIS A 102 -1.618 14.180 -4.281 1.00 3.50 H new ATOM 0 HE1 HIS A 102 -3.927 16.825 -6.679 1.00 4.72 H new ATOM 0 HE2 HIS A 102 -3.368 16.162 -4.257 1.00 4.83 H new ATOM 1091 N ALA A 103 0.226 10.035 -6.936 1.00 1.23 N ATOM 1092 CA ALA A 103 0.808 8.782 -7.429 1.00 1.23 C ATOM 1093 C ALA A 103 1.262 7.847 -6.291 1.00 1.03 C ATOM 1094 O ALA A 103 1.544 8.298 -5.177 1.00 0.98 O ATOM 1095 CB ALA A 103 2.004 9.076 -8.335 1.00 1.27 C ATOM 0 H ALA A 103 0.563 10.281 -6.005 1.00 1.23 H new ATOM 0 HA ALA A 103 0.021 8.273 -7.986 1.00 1.23 H new ATOM 0 HB1 ALA A 103 2.427 8.138 -8.695 1.00 1.27 H new ATOM 0 HB2 ALA A 103 1.678 9.676 -9.184 1.00 1.27 H new ATOM 0 HB3 ALA A 103 2.760 9.624 -7.773 1.00 1.27 H new ATOM 1101 N LEU A 104 1.363 6.546 -6.574 1.00 0.97 N ATOM 1102 CA LEU A 104 1.891 5.532 -5.670 1.00 0.79 C ATOM 1103 C LEU A 104 2.321 4.196 -6.311 1.00 0.79 C ATOM 1104 O LEU A 104 1.877 3.857 -7.408 1.00 0.93 O ATOM 1105 CB LEU A 104 0.886 5.270 -4.547 1.00 0.87 C ATOM 1106 CG LEU A 104 -0.300 4.333 -4.831 1.00 0.97 C ATOM 1107 CD1 LEU A 104 -1.082 4.223 -3.524 1.00 1.10 C ATOM 1108 CD2 LEU A 104 -1.227 4.776 -5.966 1.00 1.33 C ATOM 0 H LEU A 104 1.068 6.161 -7.471 1.00 0.97 H new ATOM 0 HA LEU A 104 2.819 5.960 -5.292 1.00 0.79 H new ATOM 0 HB2 LEU A 104 1.435 4.862 -3.698 1.00 0.87 H new ATOM 0 HB3 LEU A 104 0.481 6.232 -4.233 1.00 0.87 H new ATOM 0 HG LEU A 104 0.100 3.379 -5.176 1.00 0.97 H new ATOM 0 HD11 LEU A 104 -1.940 3.566 -3.668 1.00 1.10 H new ATOM 0 HD12 LEU A 104 -0.437 3.813 -2.747 1.00 1.10 H new ATOM 0 HD13 LEU A 104 -1.428 5.212 -3.223 1.00 1.10 H new ATOM 0 HD21 LEU A 104 -2.030 4.048 -6.085 1.00 1.33 H new ATOM 0 HD22 LEU A 104 -1.653 5.751 -5.728 1.00 1.33 H new ATOM 0 HD23 LEU A 104 -0.659 4.845 -6.894 1.00 1.33 H new ATOM 1120 N ALA A 105 3.136 3.415 -5.589 1.00 0.70 N ATOM 1121 CA ALA A 105 3.421 1.998 -5.864 1.00 0.75 C ATOM 1122 C ALA A 105 3.341 1.085 -4.608 1.00 0.66 C ATOM 1123 O ALA A 105 3.722 1.464 -3.494 1.00 0.64 O ATOM 1124 CB ALA A 105 4.728 1.876 -6.659 1.00 0.88 C ATOM 0 H ALA A 105 3.633 3.763 -4.769 1.00 0.70 H new ATOM 0 HA ALA A 105 2.621 1.607 -6.493 1.00 0.75 H new ATOM 0 HB1 ALA A 105 4.935 0.825 -6.860 1.00 0.88 H new ATOM 0 HB2 ALA A 105 4.632 2.414 -7.602 1.00 0.88 H new ATOM 0 HB3 ALA A 105 5.547 2.303 -6.080 1.00 0.88 H new ATOM 1130 N ILE A 106 2.807 -0.129 -4.786 1.00 0.67 N ATOM 1131 CA ILE A 106 2.683 -1.176 -3.763 1.00 0.56 C ATOM 1132 C ILE A 106 3.596 -2.380 -4.049 1.00 0.47 C ATOM 1133 O ILE A 106 3.853 -2.705 -5.209 1.00 0.52 O ATOM 1134 CB ILE A 106 1.214 -1.652 -3.655 1.00 0.62 C ATOM 1135 CG1 ILE A 106 0.637 -2.099 -5.023 1.00 0.67 C ATOM 1136 CG2 ILE A 106 0.343 -0.553 -3.020 1.00 0.86 C ATOM 1137 CD1 ILE A 106 -0.585 -3.012 -4.909 1.00 0.96 C ATOM 0 H ILE A 106 2.432 -0.422 -5.688 1.00 0.67 H new ATOM 0 HA ILE A 106 2.998 -0.736 -2.817 1.00 0.56 H new ATOM 0 HB ILE A 106 1.201 -2.530 -3.009 1.00 0.62 H new ATOM 0 HG12 ILE A 106 0.365 -1.214 -5.599 1.00 0.67 H new ATOM 0 HG13 ILE A 106 1.415 -2.617 -5.583 1.00 0.67 H new ATOM 0 HG21 ILE A 106 -0.688 -0.901 -2.950 1.00 0.86 H new ATOM 0 HG22 ILE A 106 0.717 -0.323 -2.022 1.00 0.86 H new ATOM 0 HG23 ILE A 106 0.382 0.344 -3.638 1.00 0.86 H new ATOM 0 HD11 ILE A 106 -0.931 -3.282 -5.906 1.00 0.96 H new ATOM 0 HD12 ILE A 106 -0.315 -3.915 -4.362 1.00 0.96 H new ATOM 0 HD13 ILE A 106 -1.381 -2.490 -4.378 1.00 0.96 H new ATOM 1149 N GLN A 107 3.974 -3.119 -3.005 1.00 0.44 N ATOM 1150 CA GLN A 107 4.371 -4.530 -3.089 1.00 0.47 C ATOM 1151 C GLN A 107 3.567 -5.357 -2.070 1.00 0.47 C ATOM 1152 O GLN A 107 3.615 -5.075 -0.873 1.00 0.56 O ATOM 1153 CB GLN A 107 5.887 -4.699 -2.871 1.00 0.62 C ATOM 1154 CG GLN A 107 6.734 -4.390 -4.120 1.00 0.94 C ATOM 1155 CD GLN A 107 6.938 -2.906 -4.427 1.00 2.18 C ATOM 1156 OE1 GLN A 107 7.088 -2.060 -3.552 1.00 3.12 O ATOM 1157 NE2 GLN A 107 7.014 -2.546 -5.690 1.00 3.26 N ATOM 0 H GLN A 107 4.014 -2.748 -2.056 1.00 0.44 H new ATOM 0 HA GLN A 107 4.149 -4.896 -4.091 1.00 0.47 H new ATOM 0 HB2 GLN A 107 6.203 -4.045 -2.059 1.00 0.62 H new ATOM 0 HB3 GLN A 107 6.087 -5.722 -2.552 1.00 0.62 H new ATOM 0 HG2 GLN A 107 7.712 -4.856 -3.999 1.00 0.94 H new ATOM 0 HG3 GLN A 107 6.262 -4.860 -4.983 1.00 0.94 H new ATOM 0 HE21 GLN A 107 6.891 -3.241 -6.427 1.00 3.26 H new ATOM 0 HE22 GLN A 107 7.196 -1.572 -5.933 1.00 3.26 H new ATOM 1166 N ALA A 108 2.830 -6.373 -2.536 1.00 0.53 N ATOM 1167 CA ALA A 108 2.002 -7.252 -1.701 1.00 0.57 C ATOM 1168 C ALA A 108 2.554 -8.687 -1.616 1.00 0.61 C ATOM 1169 O ALA A 108 2.878 -9.294 -2.643 1.00 0.77 O ATOM 1170 CB ALA A 108 0.556 -7.225 -2.216 1.00 0.77 C ATOM 0 H ALA A 108 2.792 -6.612 -3.527 1.00 0.53 H new ATOM 0 HA ALA A 108 2.025 -6.872 -0.680 1.00 0.57 H new ATOM 0 HB1 ALA A 108 -0.062 -7.877 -1.599 1.00 0.77 H new ATOM 0 HB2 ALA A 108 0.171 -6.206 -2.167 1.00 0.77 H new ATOM 0 HB3 ALA A 108 0.531 -7.573 -3.249 1.00 0.77 H new ATOM 1176 N ARG A 109 2.641 -9.238 -0.399 1.00 0.57 N ATOM 1177 CA ARG A 109 3.232 -10.556 -0.075 1.00 0.57 C ATOM 1178 C ARG A 109 2.445 -11.292 1.046 1.00 0.52 C ATOM 1179 O ARG A 109 1.476 -10.765 1.605 1.00 0.50 O ATOM 1180 CB ARG A 109 4.711 -10.319 0.323 1.00 0.75 C ATOM 1181 CG ARG A 109 5.795 -10.388 -0.776 1.00 1.15 C ATOM 1182 CD ARG A 109 6.034 -9.054 -1.510 1.00 1.02 C ATOM 1183 NE ARG A 109 7.431 -8.896 -1.975 1.00 1.51 N ATOM 1184 CZ ARG A 109 7.840 -8.474 -3.163 1.00 1.65 C ATOM 1185 NH1 ARG A 109 7.093 -8.427 -4.227 1.00 2.73 N ATOM 1186 NH2 ARG A 109 9.053 -8.055 -3.334 1.00 2.25 N ATOM 0 H ARG A 109 2.287 -8.760 0.430 1.00 0.57 H new ATOM 0 HA ARG A 109 3.176 -11.210 -0.945 1.00 0.57 H new ATOM 0 HB2 ARG A 109 4.775 -9.336 0.789 1.00 0.75 H new ATOM 0 HB3 ARG A 109 4.969 -11.051 1.088 1.00 0.75 H new ATOM 0 HG2 ARG A 109 6.732 -10.716 -0.326 1.00 1.15 H new ATOM 0 HG3 ARG A 109 5.509 -11.146 -1.506 1.00 1.15 H new ATOM 0 HD2 ARG A 109 5.362 -8.990 -2.366 1.00 1.02 H new ATOM 0 HD3 ARG A 109 5.782 -8.228 -0.844 1.00 1.02 H new ATOM 0 HE ARG A 109 8.161 -9.139 -1.305 1.00 1.51 H new ATOM 0 HH11 ARG A 109 6.120 -8.728 -4.180 1.00 2.73 H new ATOM 0 HH12 ARG A 109 7.481 -8.089 -5.108 1.00 2.73 H new ATOM 0 HH21 ARG A 109 9.705 -8.047 -2.550 1.00 2.25 H new ATOM 0 HH22 ARG A 109 9.356 -7.733 -4.253 1.00 2.25 H new ATOM 1200 N THR A 110 2.898 -12.487 1.444 1.00 0.59 N ATOM 1201 CA THR A 110 2.300 -13.292 2.538 1.00 0.63 C ATOM 1202 C THR A 110 3.207 -13.461 3.784 1.00 0.62 C ATOM 1203 O THR A 110 4.429 -13.262 3.710 1.00 0.60 O ATOM 1204 CB THR A 110 1.807 -14.645 2.004 1.00 0.77 C ATOM 1205 OG1 THR A 110 2.884 -15.372 1.477 1.00 0.83 O ATOM 1206 CG2 THR A 110 0.779 -14.448 0.894 1.00 0.90 C ATOM 0 H THR A 110 3.705 -12.938 1.012 1.00 0.59 H new ATOM 0 HA THR A 110 1.446 -12.719 2.898 1.00 0.63 H new ATOM 0 HB THR A 110 1.351 -15.185 2.834 1.00 0.77 H new ATOM 0 HG1 THR A 110 2.563 -16.234 1.140 1.00 0.83 H new ATOM 0 HG21 THR A 110 0.444 -15.420 0.531 1.00 0.90 H new ATOM 0 HG22 THR A 110 -0.074 -13.892 1.283 1.00 0.90 H new ATOM 0 HG23 THR A 110 1.232 -13.891 0.074 1.00 0.90 H new ATOM 1214 N PRO A 111 2.651 -13.783 4.975 1.00 0.68 N ATOM 1215 CA PRO A 111 3.416 -13.806 6.224 1.00 0.72 C ATOM 1216 C PRO A 111 4.631 -14.735 6.223 1.00 0.83 C ATOM 1217 O PRO A 111 5.717 -14.276 6.560 1.00 0.89 O ATOM 1218 CB PRO A 111 2.440 -14.179 7.342 1.00 0.82 C ATOM 1219 CG PRO A 111 1.106 -13.677 6.793 1.00 1.15 C ATOM 1220 CD PRO A 111 1.229 -13.868 5.280 1.00 0.75 C ATOM 0 HA PRO A 111 3.849 -12.816 6.369 1.00 0.72 H new ATOM 0 HB2 PRO A 111 2.425 -15.253 7.527 1.00 0.82 H new ATOM 0 HB3 PRO A 111 2.699 -13.697 8.285 1.00 0.82 H new ATOM 0 HG2 PRO A 111 0.269 -14.244 7.200 1.00 1.15 H new ATOM 0 HG3 PRO A 111 0.937 -12.631 7.050 1.00 1.15 H new ATOM 0 HD2 PRO A 111 0.822 -14.832 4.975 1.00 0.75 H new ATOM 0 HD3 PRO A 111 0.669 -13.102 4.744 1.00 0.75 H new ATOM 1228 N ALA A 112 4.513 -16.001 5.811 1.00 0.95 N ATOM 1229 CA ALA A 112 5.615 -16.966 5.944 1.00 1.10 C ATOM 1230 C ALA A 112 6.866 -16.611 5.113 1.00 1.06 C ATOM 1231 O ALA A 112 7.983 -17.012 5.459 1.00 1.15 O ATOM 1232 CB ALA A 112 5.082 -18.352 5.574 1.00 1.26 C ATOM 0 H ALA A 112 3.669 -16.383 5.384 1.00 0.95 H new ATOM 0 HA ALA A 112 5.956 -16.943 6.979 1.00 1.10 H new ATOM 0 HB1 ALA A 112 5.883 -19.086 5.665 1.00 1.26 H new ATOM 0 HB2 ALA A 112 4.266 -18.619 6.246 1.00 1.26 H new ATOM 0 HB3 ALA A 112 4.717 -18.339 4.547 1.00 1.26 H new ATOM 1238 N GLN A 113 6.698 -15.829 4.042 1.00 0.95 N ATOM 1239 CA GLN A 113 7.785 -15.211 3.274 1.00 0.91 C ATOM 1240 C GLN A 113 8.242 -13.877 3.895 1.00 0.84 C ATOM 1241 O GLN A 113 9.452 -13.672 3.967 1.00 0.99 O ATOM 1242 CB GLN A 113 7.439 -15.129 1.776 1.00 0.91 C ATOM 1243 CG GLN A 113 6.063 -14.509 1.523 1.00 1.00 C ATOM 1244 CD GLN A 113 5.617 -14.496 0.065 1.00 1.34 C ATOM 1245 OE1 GLN A 113 5.145 -13.483 -0.429 1.00 1.60 O ATOM 1246 NE2 GLN A 113 5.684 -15.589 -0.665 1.00 2.41 N ATOM 0 H GLN A 113 5.774 -15.601 3.674 1.00 0.95 H new ATOM 0 HA GLN A 113 8.658 -15.861 3.335 1.00 0.91 H new ATOM 0 HB2 GLN A 113 8.199 -14.539 1.263 1.00 0.91 H new ATOM 0 HB3 GLN A 113 7.467 -16.130 1.345 1.00 0.91 H new ATOM 0 HG2 GLN A 113 5.323 -15.055 2.108 1.00 1.00 H new ATOM 0 HG3 GLN A 113 6.070 -13.484 1.894 1.00 1.00 H new ATOM 0 HE21 GLN A 113 6.075 -16.444 -0.269 1.00 2.41 H new ATOM 0 HE22 GLN A 113 5.345 -15.581 -1.627 1.00 2.41 H new ATOM 1255 N TRP A 114 7.354 -13.027 4.454 1.00 0.73 N ATOM 1256 CA TRP A 114 7.780 -11.886 5.307 1.00 0.75 C ATOM 1257 C TRP A 114 8.673 -12.329 6.483 1.00 0.89 C ATOM 1258 O TRP A 114 9.644 -11.645 6.824 1.00 1.02 O ATOM 1259 CB TRP A 114 6.581 -11.109 5.885 1.00 0.67 C ATOM 1260 CG TRP A 114 6.954 -9.844 6.590 1.00 0.71 C ATOM 1261 CD1 TRP A 114 7.076 -9.721 7.925 1.00 0.81 C ATOM 1262 CD2 TRP A 114 7.176 -8.496 6.061 1.00 0.75 C ATOM 1263 NE1 TRP A 114 7.540 -8.469 8.242 1.00 0.79 N ATOM 1264 CE2 TRP A 114 7.564 -7.649 7.143 1.00 0.76 C ATOM 1265 CE3 TRP A 114 7.008 -7.875 4.806 1.00 0.86 C ATOM 1266 CZ2 TRP A 114 7.797 -6.276 6.995 1.00 0.85 C ATOM 1267 CZ3 TRP A 114 7.154 -6.482 4.671 1.00 0.99 C ATOM 1268 CH2 TRP A 114 7.570 -5.683 5.747 1.00 0.97 C ATOM 0 H TRP A 114 6.344 -13.104 4.334 1.00 0.73 H new ATOM 0 HA TRP A 114 8.351 -11.238 4.643 1.00 0.75 H new ATOM 0 HB2 TRP A 114 5.892 -10.871 5.075 1.00 0.67 H new ATOM 0 HB3 TRP A 114 6.045 -11.755 6.580 1.00 0.67 H new ATOM 0 HD1 TRP A 114 6.843 -10.495 8.642 1.00 0.81 H new ATOM 0 HE1 TRP A 114 7.830 -8.184 9.177 1.00 0.79 H new ATOM 0 HE3 TRP A 114 6.765 -8.474 3.941 1.00 0.86 H new ATOM 0 HZ2 TRP A 114 8.146 -5.685 7.829 1.00 0.85 H new ATOM 0 HZ3 TRP A 114 6.941 -6.018 3.719 1.00 0.99 H new ATOM 0 HH2 TRP A 114 7.714 -4.621 5.614 1.00 0.97 H new ATOM 1279 N ARG A 115 8.368 -13.493 7.078 1.00 0.95 N ATOM 1280 CA ARG A 115 9.151 -14.071 8.193 1.00 1.19 C ATOM 1281 C ARG A 115 10.545 -14.512 7.725 1.00 1.33 C ATOM 1282 O ARG A 115 11.528 -14.346 8.448 1.00 1.52 O ATOM 1283 CB ARG A 115 8.411 -15.242 8.888 1.00 1.36 C ATOM 1284 CG ARG A 115 6.947 -14.965 9.300 1.00 1.36 C ATOM 1285 CD ARG A 115 6.520 -15.435 10.698 1.00 1.78 C ATOM 1286 NE ARG A 115 7.251 -14.731 11.767 1.00 2.56 N ATOM 1287 CZ ARG A 115 7.347 -15.039 13.049 1.00 3.41 C ATOM 1288 NH1 ARG A 115 6.701 -16.021 13.612 1.00 4.02 N ATOM 1289 NH2 ARG A 115 8.143 -14.322 13.784 1.00 4.23 N ATOM 0 H ARG A 115 7.570 -14.065 6.802 1.00 0.95 H new ATOM 0 HA ARG A 115 9.271 -13.280 8.933 1.00 1.19 H new ATOM 0 HB2 ARG A 115 8.423 -16.102 8.219 1.00 1.36 H new ATOM 0 HB3 ARG A 115 8.972 -15.523 9.779 1.00 1.36 H new ATOM 0 HG2 ARG A 115 6.773 -13.891 9.235 1.00 1.36 H new ATOM 0 HG3 ARG A 115 6.293 -15.438 8.568 1.00 1.36 H new ATOM 0 HD2 ARG A 115 5.450 -15.272 10.823 1.00 1.78 H new ATOM 0 HD3 ARG A 115 6.692 -16.508 10.788 1.00 1.78 H new ATOM 0 HE ARG A 115 7.752 -13.891 11.478 1.00 2.56 H new ATOM 0 HH11 ARG A 115 6.076 -16.605 13.057 1.00 4.02 H new ATOM 0 HH12 ARG A 115 6.820 -16.205 14.608 1.00 4.02 H new ATOM 0 HH21 ARG A 115 8.667 -13.552 13.367 1.00 4.23 H new ATOM 0 HH22 ARG A 115 8.244 -14.529 14.778 1.00 4.23 H new ATOM 1303 N GLU A 116 10.624 -15.034 6.501 1.00 1.30 N ATOM 1304 CA GLU A 116 11.822 -15.639 5.914 1.00 1.48 C ATOM 1305 C GLU A 116 12.769 -14.614 5.264 1.00 1.56 C ATOM 1306 O GLU A 116 13.882 -14.426 5.752 1.00 1.81 O ATOM 1307 CB GLU A 116 11.323 -16.667 4.877 1.00 1.60 C ATOM 1308 CG GLU A 116 12.389 -17.392 4.048 1.00 2.55 C ATOM 1309 CD GLU A 116 11.741 -18.074 2.841 1.00 3.40 C ATOM 1310 OE1 GLU A 116 10.965 -19.041 3.041 1.00 3.60 O ATOM 1311 OE2 GLU A 116 11.989 -17.644 1.685 1.00 4.66 O ATOM 0 H GLU A 116 9.826 -15.048 5.866 1.00 1.30 H new ATOM 0 HA GLU A 116 12.417 -16.106 6.699 1.00 1.48 H new ATOM 0 HB2 GLU A 116 10.733 -17.418 5.402 1.00 1.60 H new ATOM 0 HB3 GLU A 116 10.649 -16.155 4.190 1.00 1.60 H new ATOM 0 HG2 GLU A 116 13.145 -16.682 3.712 1.00 2.55 H new ATOM 0 HG3 GLU A 116 12.899 -18.133 4.664 1.00 2.55 H new ATOM 1318 N ASN A 117 12.362 -13.980 4.156 1.00 1.47 N ATOM 1319 CA ASN A 117 13.227 -13.072 3.380 1.00 1.77 C ATOM 1320 C ASN A 117 12.481 -11.924 2.652 1.00 1.79 C ATOM 1321 O ASN A 117 13.054 -11.243 1.797 1.00 2.34 O ATOM 1322 CB ASN A 117 14.108 -13.933 2.449 1.00 2.14 C ATOM 1323 CG ASN A 117 15.511 -13.404 2.225 1.00 2.65 C ATOM 1324 OD1 ASN A 117 15.909 -12.354 2.711 1.00 3.08 O ATOM 1325 ND2 ASN A 117 16.313 -14.137 1.495 1.00 3.45 N ATOM 0 H ASN A 117 11.423 -14.080 3.770 1.00 1.47 H new ATOM 0 HA ASN A 117 13.860 -12.521 4.075 1.00 1.77 H new ATOM 0 HB2 ASN A 117 14.177 -14.938 2.866 1.00 2.14 H new ATOM 0 HB3 ASN A 117 13.611 -14.022 1.483 1.00 2.14 H new ATOM 0 HD21 ASN A 117 17.273 -13.833 1.330 1.00 3.45 H new ATOM 0 HD22 ASN A 117 15.978 -15.012 1.091 1.00 3.45 H new ATOM 1332 N SER A 118 11.182 -11.765 2.923 1.00 1.80 N ATOM 1333 CA SER A 118 10.213 -10.831 2.311 1.00 2.25 C ATOM 1334 C SER A 118 9.980 -10.940 0.792 1.00 2.57 C ATOM 1335 O SER A 118 9.302 -10.084 0.220 1.00 3.57 O ATOM 1336 CB SER A 118 10.454 -9.391 2.779 1.00 2.93 C ATOM 1337 OG SER A 118 10.435 -9.351 4.196 1.00 3.79 O ATOM 0 H SER A 118 10.735 -12.335 3.641 1.00 1.80 H new ATOM 0 HA SER A 118 9.254 -11.174 2.698 1.00 2.25 H new ATOM 0 HB2 SER A 118 11.413 -9.031 2.406 1.00 2.93 H new ATOM 0 HB3 SER A 118 9.686 -8.731 2.375 1.00 2.93 H new ATOM 0 HG SER A 118 10.590 -8.432 4.499 1.00 3.79 H new TER 1343 SER A 118