USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 914 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 32 TYR OH : rot 180:sc= 0.0353 USER MOD Set 1.2: A 64 LYS NZ :NH3+ -175:sc= -0.347 (180deg=-0.506) USER MOD Single : A 1 ASP N :NH3+ -114:sc= 0.533 (180deg=-0.66!) USER MOD Single : A 8 HIS : no HD1:sc= -0.551 K(o=-0.55,f=-2) USER MOD Single : A 14 LYS NZ :NH3+ -117:sc= -0.133 (180deg=-0.279) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.37 K(o=-0.37,f=-3.4!) USER MOD Single : A 24 HIS : no HD1:sc= -0.742 X(o=-0.74,f=-0.45) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.316 USER MOD Single : A 38 HIS : no HD1:sc= -0.0572 X(o=-0.057,f=-0.37) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot -131:sc= -4! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 160:sc= 0.00687 USER MOD Single : A 71 SER OG : rot 80:sc= 1.33 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.336 K(o=-0.34,f=-0.88) USER MOD Single : A 77 TYR OH : rot -84:sc= 1.05 USER MOD Single : A 82 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 84 THR OG1 : rot 84:sc= 0.528 USER MOD Single : A 86 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0149) USER MOD Single : A 90 ASN : amide:sc= -1.05 X(o=-1,f=-0.73) USER MOD Single : A 93 THR OG1 : rot 14:sc= -0.023 USER MOD Single : A 95 SER OG : rot -57:sc= 0.663 USER MOD Single : A 97 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.286) USER MOD Single : A 99 TYR OH : rot -178:sc= -5.32! USER MOD Single : A 100 THR OG1 : rot 44:sc= 0.875 USER MOD Single : A 110 ASN : amide:sc= -0.0055 X(o=-0.0055,f=-0.11) USER MOD Single : A 113 LYS NZ :NH3+ -152:sc= -0.0346 (180deg=-0.296) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.325 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -13.918 7.603 17.259 1.00 7.08 N ATOM 2 CA ASP A 1 -13.103 7.486 16.017 1.00 6.65 C ATOM 3 C ASP A 1 -11.623 7.309 16.369 1.00 5.96 C ATOM 4 O ASP A 1 -11.131 7.873 17.325 1.00 6.16 O ATOM 5 CB ASP A 1 -13.323 8.803 15.273 1.00 7.15 C ATOM 6 CG ASP A 1 -13.265 9.966 16.266 1.00 7.15 C ATOM 7 OD1 ASP A 1 -14.055 9.964 17.196 1.00 7.37 O ATOM 8 OD2 ASP A 1 -12.433 10.838 16.080 1.00 7.22 O ATOM 0 H1 ASP A 1 -14.547 6.779 17.340 1.00 7.08 H new ATOM 0 H2 ASP A 1 -13.288 7.640 18.086 1.00 7.08 H new ATOM 0 H3 ASP A 1 -14.489 8.472 17.219 1.00 7.08 H new ATOM 0 HA ASP A 1 -13.391 6.624 15.415 1.00 6.65 H new ATOM 0 HB2 ASP A 1 -12.562 8.930 14.503 1.00 7.15 H new ATOM 0 HB3 ASP A 1 -14.289 8.790 14.767 1.00 7.15 H new ATOM 15 N ALA A 2 -10.912 6.527 15.603 1.00 5.41 N ATOM 16 CA ALA A 2 -9.465 6.313 15.892 1.00 4.78 C ATOM 17 C ALA A 2 -8.809 5.535 14.744 1.00 3.77 C ATOM 18 O ALA A 2 -9.423 4.664 14.162 1.00 3.42 O ATOM 19 CB ALA A 2 -9.435 5.490 17.181 1.00 5.00 C ATOM 0 H ALA A 2 -11.270 6.027 14.789 1.00 5.41 H new ATOM 0 HA ALA A 2 -8.920 7.251 15.996 1.00 4.78 H new ATOM 0 HB1 ALA A 2 -8.401 5.290 17.461 1.00 5.00 H new ATOM 0 HB2 ALA A 2 -9.926 6.046 17.979 1.00 5.00 H new ATOM 0 HB3 ALA A 2 -9.957 4.546 17.022 1.00 5.00 H new ATOM 25 N PRO A 3 -7.577 5.875 14.450 1.00 3.56 N ATOM 26 CA PRO A 3 -6.848 5.189 13.355 1.00 2.78 C ATOM 27 C PRO A 3 -6.447 3.774 13.784 1.00 2.04 C ATOM 28 O PRO A 3 -6.542 3.414 14.940 1.00 2.31 O ATOM 29 CB PRO A 3 -5.616 6.060 13.141 1.00 3.38 C ATOM 30 CG PRO A 3 -5.404 6.761 14.446 1.00 4.09 C ATOM 31 CD PRO A 3 -6.756 6.912 15.093 1.00 4.30 C ATOM 0 HA PRO A 3 -7.445 5.075 12.450 1.00 2.78 H new ATOM 0 HB2 PRO A 3 -4.749 5.457 12.872 1.00 3.38 H new ATOM 0 HB3 PRO A 3 -5.773 6.773 12.331 1.00 3.38 H new ATOM 0 HG2 PRO A 3 -4.733 6.189 15.086 1.00 4.09 H new ATOM 0 HG3 PRO A 3 -4.941 7.735 14.289 1.00 4.09 H new ATOM 0 HD2 PRO A 3 -6.701 6.765 16.172 1.00 4.30 H new ATOM 0 HD3 PRO A 3 -7.169 7.907 14.927 1.00 4.30 H new ATOM 39 N GLU A 4 -5.998 2.971 12.859 1.00 1.37 N ATOM 40 CA GLU A 4 -5.591 1.580 13.212 1.00 1.14 C ATOM 41 C GLU A 4 -4.368 1.163 12.393 1.00 0.89 C ATOM 42 O GLU A 4 -4.190 1.582 11.267 1.00 1.30 O ATOM 43 CB GLU A 4 -6.797 0.711 12.855 1.00 1.67 C ATOM 44 CG GLU A 4 -6.831 -0.515 13.768 1.00 2.39 C ATOM 45 CD GLU A 4 -5.432 -0.767 14.335 1.00 2.65 C ATOM 46 OE1 GLU A 4 -5.113 -0.180 15.356 1.00 3.05 O ATOM 47 OE2 GLU A 4 -4.703 -1.543 13.737 1.00 3.09 O ATOM 0 H GLU A 4 -5.895 3.217 11.874 1.00 1.37 H new ATOM 0 HA GLU A 4 -5.317 1.484 14.263 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -7.717 1.285 12.965 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -6.738 0.399 11.812 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -7.541 -0.358 14.580 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -7.172 -1.388 13.211 1.00 2.39 H new ATOM 54 N GLU A 5 -3.524 0.339 12.950 1.00 1.00 N ATOM 55 CA GLU A 5 -2.312 -0.107 12.203 1.00 0.81 C ATOM 56 C GLU A 5 -2.065 -1.598 12.445 1.00 0.87 C ATOM 57 O GLU A 5 -2.306 -2.110 13.521 1.00 1.15 O ATOM 58 CB GLU A 5 -1.167 0.729 12.772 1.00 0.95 C ATOM 59 CG GLU A 5 -1.236 2.145 12.196 1.00 1.46 C ATOM 60 CD GLU A 5 -0.100 2.990 12.779 1.00 1.82 C ATOM 61 OE1 GLU A 5 -0.294 3.554 13.843 1.00 2.50 O ATOM 62 OE2 GLU A 5 0.942 3.060 12.149 1.00 2.19 O ATOM 0 H GLU A 5 -3.620 -0.045 13.890 1.00 1.00 H new ATOM 0 HA GLU A 5 -2.415 0.027 11.126 1.00 0.81 H new ATOM 0 HB2 GLU A 5 -1.233 0.763 13.859 1.00 0.95 H new ATOM 0 HB3 GLU A 5 -0.210 0.270 12.525 1.00 0.95 H new ATOM 0 HG2 GLU A 5 -1.157 2.111 11.109 1.00 1.46 H new ATOM 0 HG3 GLU A 5 -2.199 2.598 12.432 1.00 1.46 H new ATOM 69 N GLU A 6 -1.592 -2.300 11.452 1.00 0.79 N ATOM 70 CA GLU A 6 -1.338 -3.760 11.632 1.00 1.04 C ATOM 71 C GLU A 6 0.166 -4.055 11.629 1.00 1.10 C ATOM 72 O GLU A 6 0.862 -3.779 10.672 1.00 1.76 O ATOM 73 CB GLU A 6 -2.018 -4.429 10.437 1.00 1.28 C ATOM 74 CG GLU A 6 -3.364 -5.013 10.878 1.00 1.68 C ATOM 75 CD GLU A 6 -3.198 -6.501 11.189 1.00 1.97 C ATOM 76 OE1 GLU A 6 -2.476 -7.162 10.460 1.00 2.63 O ATOM 77 OE2 GLU A 6 -3.797 -6.956 12.150 1.00 2.24 O ATOM 0 H GLU A 6 -1.371 -1.929 10.528 1.00 0.79 H new ATOM 0 HA GLU A 6 -1.724 -4.126 12.583 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -2.168 -3.704 9.637 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -1.381 -5.217 10.037 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -3.730 -4.485 11.759 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -4.107 -4.876 10.092 1.00 1.68 H new ATOM 84 N ASP A 7 0.666 -4.623 12.694 1.00 1.27 N ATOM 85 CA ASP A 7 2.122 -4.951 12.768 1.00 1.35 C ATOM 86 C ASP A 7 2.977 -3.718 12.443 1.00 1.28 C ATOM 87 O ASP A 7 3.335 -2.958 13.320 1.00 2.01 O ATOM 88 CB ASP A 7 2.330 -6.056 11.731 1.00 1.53 C ATOM 89 CG ASP A 7 1.987 -7.410 12.355 1.00 1.92 C ATOM 90 OD1 ASP A 7 1.048 -7.461 13.132 1.00 2.57 O ATOM 91 OD2 ASP A 7 2.669 -8.374 12.047 1.00 2.36 O ATOM 0 H ASP A 7 0.126 -4.876 13.522 1.00 1.27 H new ATOM 0 HA ASP A 7 2.421 -5.270 13.766 1.00 1.35 H new ATOM 0 HB2 ASP A 7 1.701 -5.875 10.859 1.00 1.53 H new ATOM 0 HB3 ASP A 7 3.363 -6.054 11.384 1.00 1.53 H new ATOM 96 N HIS A 8 3.315 -3.510 11.196 1.00 1.21 N ATOM 97 CA HIS A 8 4.148 -2.325 10.842 1.00 1.11 C ATOM 98 C HIS A 8 3.540 -1.590 9.645 1.00 0.81 C ATOM 99 O HIS A 8 4.206 -0.834 8.964 1.00 0.87 O ATOM 100 CB HIS A 8 5.518 -2.900 10.481 1.00 1.32 C ATOM 101 CG HIS A 8 6.145 -3.504 11.709 1.00 1.61 C ATOM 102 ND1 HIS A 8 5.858 -4.793 12.127 1.00 2.30 N ATOM 103 CD2 HIS A 8 7.048 -3.007 12.616 1.00 2.02 C ATOM 104 CE1 HIS A 8 6.575 -5.026 13.242 1.00 2.53 C ATOM 105 NE2 HIS A 8 7.317 -3.970 13.584 1.00 2.33 N ATOM 0 H HIS A 8 3.051 -4.107 10.412 1.00 1.21 H new ATOM 0 HA HIS A 8 4.211 -1.604 11.657 1.00 1.11 H new ATOM 0 HB2 HIS A 8 5.414 -3.656 9.703 1.00 1.32 H new ATOM 0 HB3 HIS A 8 6.160 -2.116 10.080 1.00 1.32 H new ATOM 0 HD2 HIS A 8 7.483 -2.019 12.583 1.00 2.02 H new ATOM 0 HE1 HIS A 8 6.553 -5.955 13.793 1.00 2.53 H new ATOM 0 HE2 HIS A 8 7.946 -3.887 14.383 1.00 2.33 H new ATOM 113 N VAL A 9 2.279 -1.802 9.386 1.00 0.69 N ATOM 114 CA VAL A 9 1.626 -1.112 8.234 1.00 0.49 C ATOM 115 C VAL A 9 0.399 -0.348 8.738 1.00 0.41 C ATOM 116 O VAL A 9 -0.023 -0.522 9.864 1.00 0.54 O ATOM 117 CB VAL A 9 1.213 -2.226 7.261 1.00 0.68 C ATOM 118 CG1 VAL A 9 0.859 -1.603 5.912 1.00 0.88 C ATOM 119 CG2 VAL A 9 2.367 -3.217 7.062 1.00 0.89 C ATOM 0 H VAL A 9 1.672 -2.423 9.921 1.00 0.69 H new ATOM 0 HA VAL A 9 2.286 -0.394 7.747 1.00 0.49 H new ATOM 0 HB VAL A 9 0.354 -2.756 7.673 1.00 0.68 H new ATOM 0 HG11 VAL A 9 0.565 -2.388 5.215 1.00 0.88 H new ATOM 0 HG12 VAL A 9 0.034 -0.903 6.040 1.00 0.88 H new ATOM 0 HG13 VAL A 9 1.726 -1.073 5.517 1.00 0.88 H new ATOM 0 HG21 VAL A 9 2.059 -4.000 6.370 1.00 0.89 H new ATOM 0 HG22 VAL A 9 3.231 -2.692 6.654 1.00 0.89 H new ATOM 0 HG23 VAL A 9 2.633 -3.663 8.020 1.00 0.89 H new ATOM 129 N LEU A 10 -0.174 0.508 7.933 1.00 0.41 N ATOM 130 CA LEU A 10 -1.356 1.277 8.404 1.00 0.54 C ATOM 131 C LEU A 10 -2.529 1.131 7.440 1.00 0.42 C ATOM 132 O LEU A 10 -2.426 0.521 6.395 1.00 0.59 O ATOM 133 CB LEU A 10 -0.901 2.736 8.453 1.00 0.83 C ATOM 134 CG LEU A 10 -0.186 3.120 7.151 1.00 0.96 C ATOM 135 CD1 LEU A 10 -0.650 4.508 6.704 1.00 1.30 C ATOM 136 CD2 LEU A 10 1.325 3.141 7.385 1.00 1.49 C ATOM 0 H LEU A 10 0.125 0.705 6.978 1.00 0.41 H new ATOM 0 HA LEU A 10 -1.698 0.916 9.374 1.00 0.54 H new ATOM 0 HB2 LEU A 10 -1.762 3.387 8.608 1.00 0.83 H new ATOM 0 HB3 LEU A 10 -0.232 2.886 9.300 1.00 0.83 H new ATOM 0 HG LEU A 10 -0.424 2.390 6.378 1.00 0.96 H new ATOM 0 HD11 LEU A 10 -0.142 4.781 5.779 1.00 1.30 H new ATOM 0 HD12 LEU A 10 -1.727 4.495 6.536 1.00 1.30 H new ATOM 0 HD13 LEU A 10 -0.412 5.238 7.478 1.00 1.30 H new ATOM 0 HD21 LEU A 10 1.833 3.414 6.460 1.00 1.49 H new ATOM 0 HD22 LEU A 10 1.563 3.871 8.159 1.00 1.49 H new ATOM 0 HD23 LEU A 10 1.658 2.153 7.704 1.00 1.49 H new ATOM 148 N VAL A 11 -3.643 1.701 7.795 1.00 0.54 N ATOM 149 CA VAL A 11 -4.846 1.623 6.917 1.00 0.46 C ATOM 150 C VAL A 11 -5.281 3.037 6.517 1.00 0.43 C ATOM 151 O VAL A 11 -4.991 3.998 7.201 1.00 0.54 O ATOM 152 CB VAL A 11 -5.924 0.953 7.772 1.00 0.61 C ATOM 153 CG1 VAL A 11 -7.167 0.693 6.916 1.00 1.04 C ATOM 154 CG2 VAL A 11 -5.396 -0.376 8.320 1.00 1.39 C ATOM 0 H VAL A 11 -3.776 2.222 8.662 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.658 1.067 5.999 1.00 0.46 H new ATOM 0 HB VAL A 11 -6.184 1.609 8.603 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -7.935 0.216 7.525 1.00 1.04 H new ATOM 0 HG12 VAL A 11 -7.547 1.639 6.529 1.00 1.04 H new ATOM 0 HG13 VAL A 11 -6.906 0.039 6.084 1.00 1.04 H new ATOM 0 HG21 VAL A 11 -6.166 -0.850 8.928 1.00 1.39 H new ATOM 0 HG22 VAL A 11 -5.133 -1.033 7.491 1.00 1.39 H new ATOM 0 HG23 VAL A 11 -4.513 -0.192 8.932 1.00 1.39 H new ATOM 164 N LEU A 12 -5.970 3.175 5.418 1.00 0.40 N ATOM 165 CA LEU A 12 -6.411 4.534 4.990 1.00 0.45 C ATOM 166 C LEU A 12 -7.932 4.658 5.105 1.00 0.44 C ATOM 167 O LEU A 12 -8.666 3.751 4.770 1.00 0.58 O ATOM 168 CB LEU A 12 -5.969 4.656 3.531 1.00 0.63 C ATOM 169 CG LEU A 12 -4.443 4.759 3.470 1.00 0.76 C ATOM 170 CD1 LEU A 12 -3.996 4.900 2.014 1.00 1.16 C ATOM 171 CD2 LEU A 12 -3.984 5.985 4.262 1.00 0.82 C ATOM 0 H LEU A 12 -6.246 2.411 4.801 1.00 0.40 H new ATOM 0 HA LEU A 12 -5.982 5.321 5.611 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -6.309 3.790 2.963 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -6.423 5.536 3.074 1.00 0.63 H new ATOM 0 HG LEU A 12 -4.002 3.859 3.899 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -2.909 4.973 1.972 1.00 1.16 H new ATOM 0 HD12 LEU A 12 -4.323 4.028 1.447 1.00 1.16 H new ATOM 0 HD13 LEU A 12 -4.437 5.799 1.583 1.00 1.16 H new ATOM 0 HD21 LEU A 12 -2.897 6.060 4.220 1.00 0.82 H new ATOM 0 HD22 LEU A 12 -4.427 6.883 3.831 1.00 0.82 H new ATOM 0 HD23 LEU A 12 -4.301 5.887 5.300 1.00 0.82 H new ATOM 183 N ARG A 13 -8.409 5.778 5.578 1.00 0.47 N ATOM 184 CA ARG A 13 -9.882 5.959 5.714 1.00 0.55 C ATOM 185 C ARG A 13 -10.370 7.065 4.772 1.00 0.54 C ATOM 186 O ARG A 13 -9.678 7.465 3.858 1.00 0.73 O ATOM 187 CB ARG A 13 -10.103 6.348 7.178 1.00 0.69 C ATOM 188 CG ARG A 13 -10.355 5.085 8.007 1.00 1.19 C ATOM 189 CD ARG A 13 -11.651 5.243 8.803 1.00 1.28 C ATOM 190 NE ARG A 13 -11.665 4.086 9.742 1.00 1.86 N ATOM 191 CZ ARG A 13 -12.547 4.036 10.703 1.00 2.30 C ATOM 192 NH1 ARG A 13 -12.529 4.932 11.652 1.00 2.68 N ATOM 193 NH2 ARG A 13 -13.445 3.089 10.715 1.00 2.84 N ATOM 0 H ARG A 13 -7.844 6.573 5.875 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.436 5.058 5.450 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -9.231 6.879 7.560 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -10.952 7.027 7.261 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -10.422 4.216 7.353 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -9.519 4.910 8.685 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -11.671 6.190 9.342 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -12.522 5.231 8.147 1.00 1.28 H new ATOM 0 HE ARG A 13 -10.985 3.333 9.634 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -11.826 5.671 11.642 1.00 2.68 H new ATOM 0 HH12 ARG A 13 -13.218 4.893 12.403 1.00 2.68 H new ATOM 0 HH21 ARG A 13 -13.457 2.388 9.974 1.00 2.84 H new ATOM 0 HH22 ARG A 13 -14.134 3.049 11.466 1.00 2.84 H new ATOM 207 N LYS A 14 -11.563 7.548 4.981 1.00 0.58 N ATOM 208 CA LYS A 14 -12.111 8.615 4.094 1.00 0.63 C ATOM 209 C LYS A 14 -11.181 9.827 4.040 1.00 0.65 C ATOM 210 O LYS A 14 -10.951 10.404 2.996 1.00 0.83 O ATOM 211 CB LYS A 14 -13.447 8.995 4.731 1.00 0.74 C ATOM 212 CG LYS A 14 -13.232 9.619 6.110 1.00 1.26 C ATOM 213 CD LYS A 14 -14.564 9.674 6.859 1.00 1.92 C ATOM 214 CE LYS A 14 -14.620 8.534 7.881 1.00 2.26 C ATOM 215 NZ LYS A 14 -15.405 7.460 7.212 1.00 2.80 N ATOM 0 H LYS A 14 -12.186 7.249 5.731 1.00 0.58 H new ATOM 0 HA LYS A 14 -12.218 8.271 3.065 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -13.975 9.698 4.087 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -14.077 8.110 4.821 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -12.508 9.034 6.677 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -12.819 10.623 6.006 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -14.671 10.635 7.363 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -15.393 9.588 6.156 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -13.620 8.188 8.143 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -15.098 8.856 8.806 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -16.280 7.285 7.747 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -15.644 7.756 6.244 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -14.840 6.588 7.177 1.00 2.80 H new ATOM 229 N SER A 15 -10.663 10.227 5.160 1.00 0.68 N ATOM 230 CA SER A 15 -9.764 11.421 5.185 1.00 0.88 C ATOM 231 C SER A 15 -8.296 11.014 5.352 1.00 0.81 C ATOM 232 O SER A 15 -7.406 11.662 4.837 1.00 1.05 O ATOM 233 CB SER A 15 -10.230 12.237 6.392 1.00 1.10 C ATOM 234 OG SER A 15 -11.018 13.330 5.946 1.00 1.68 O ATOM 0 H SER A 15 -10.819 9.783 6.065 1.00 0.68 H new ATOM 0 HA SER A 15 -9.819 11.983 4.253 1.00 0.88 H new ATOM 0 HB2 SER A 15 -10.810 11.608 7.068 1.00 1.10 H new ATOM 0 HB3 SER A 15 -9.369 12.600 6.954 1.00 1.10 H new ATOM 0 HG SER A 15 -11.319 13.853 6.718 1.00 1.68 H new ATOM 240 N ASN A 16 -8.029 9.960 6.071 1.00 0.65 N ATOM 241 CA ASN A 16 -6.610 9.539 6.266 1.00 0.68 C ATOM 242 C ASN A 16 -5.947 9.259 4.914 1.00 0.55 C ATOM 243 O ASN A 16 -4.749 9.386 4.760 1.00 0.56 O ATOM 244 CB ASN A 16 -6.685 8.259 7.098 1.00 0.87 C ATOM 245 CG ASN A 16 -5.916 8.439 8.410 1.00 0.91 C ATOM 246 OD1 ASN A 16 -5.249 9.435 8.609 1.00 1.74 O ATOM 247 ND2 ASN A 16 -5.982 7.507 9.320 1.00 0.98 N ATOM 0 H ASN A 16 -8.726 9.374 6.530 1.00 0.65 H new ATOM 0 HA ASN A 16 -6.017 10.311 6.757 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -7.726 8.013 7.308 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -6.268 7.425 6.534 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -5.474 7.615 10.198 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -6.542 6.671 9.154 1.00 0.98 H new ATOM 254 N PHE A 17 -6.719 8.876 3.938 1.00 0.55 N ATOM 255 CA PHE A 17 -6.138 8.581 2.595 1.00 0.51 C ATOM 256 C PHE A 17 -5.422 9.813 2.035 1.00 0.46 C ATOM 257 O PHE A 17 -4.229 9.799 1.803 1.00 0.52 O ATOM 258 CB PHE A 17 -7.340 8.226 1.722 1.00 0.56 C ATOM 259 CG PHE A 17 -6.858 7.766 0.368 1.00 0.62 C ATOM 260 CD1 PHE A 17 -6.530 8.708 -0.613 1.00 0.79 C ATOM 261 CD2 PHE A 17 -6.739 6.399 0.095 1.00 0.78 C ATOM 262 CE1 PHE A 17 -6.082 8.283 -1.870 1.00 0.90 C ATOM 263 CE2 PHE A 17 -6.292 5.973 -1.162 1.00 0.89 C ATOM 264 CZ PHE A 17 -5.963 6.911 -2.142 1.00 0.87 C ATOM 0 H PHE A 17 -7.729 8.753 4.010 1.00 0.55 H new ATOM 0 HA PHE A 17 -5.400 7.779 2.634 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -7.929 7.441 2.197 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -7.993 9.092 1.613 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -6.622 9.763 -0.401 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -6.992 5.673 0.853 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -5.829 9.009 -2.628 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -6.202 4.918 -1.373 1.00 0.89 H new ATOM 0 HZ PHE A 17 -5.617 6.581 -3.110 1.00 0.87 H new ATOM 274 N ALA A 18 -6.144 10.875 1.809 1.00 0.52 N ATOM 275 CA ALA A 18 -5.514 12.108 1.253 1.00 0.66 C ATOM 276 C ALA A 18 -4.373 12.589 2.153 1.00 0.59 C ATOM 277 O ALA A 18 -3.524 13.353 1.737 1.00 0.75 O ATOM 278 CB ALA A 18 -6.640 13.142 1.219 1.00 0.84 C ATOM 0 H ALA A 18 -7.146 10.944 1.986 1.00 0.52 H new ATOM 0 HA ALA A 18 -5.080 11.936 0.268 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -6.259 14.082 0.821 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -7.448 12.780 0.583 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -7.018 13.302 2.229 1.00 0.84 H new ATOM 284 N GLU A 19 -4.343 12.154 3.381 1.00 0.46 N ATOM 285 CA GLU A 19 -3.256 12.590 4.299 1.00 0.49 C ATOM 286 C GLU A 19 -2.014 11.722 4.093 1.00 0.48 C ATOM 287 O GLU A 19 -0.974 12.193 3.677 1.00 0.56 O ATOM 288 CB GLU A 19 -3.827 12.396 5.703 1.00 0.55 C ATOM 289 CG GLU A 19 -2.853 12.969 6.736 1.00 0.69 C ATOM 290 CD GLU A 19 -3.617 13.853 7.723 1.00 1.04 C ATOM 291 OE1 GLU A 19 -3.979 14.955 7.344 1.00 1.78 O ATOM 292 OE2 GLU A 19 -3.828 13.413 8.841 1.00 1.66 O ATOM 0 H GLU A 19 -5.025 11.515 3.789 1.00 0.46 H new ATOM 0 HA GLU A 19 -2.951 13.622 4.124 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -4.794 12.892 5.785 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -3.995 11.336 5.895 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -2.353 12.160 7.268 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -2.077 13.549 6.237 1.00 0.69 H new ATOM 299 N ALA A 20 -2.116 10.453 4.381 1.00 0.45 N ATOM 300 CA ALA A 20 -0.943 9.548 4.204 1.00 0.53 C ATOM 301 C ALA A 20 -0.357 9.698 2.798 1.00 0.57 C ATOM 302 O ALA A 20 0.844 9.699 2.612 1.00 0.71 O ATOM 303 CB ALA A 20 -1.497 8.138 4.401 1.00 0.57 C ATOM 0 H ALA A 20 -2.961 10.003 4.732 1.00 0.45 H new ATOM 0 HA ALA A 20 -0.141 9.777 4.906 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -0.692 7.412 4.286 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -1.924 8.051 5.400 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.270 7.944 3.658 1.00 0.57 H new ATOM 309 N LEU A 21 -1.197 9.826 1.811 1.00 0.55 N ATOM 310 CA LEU A 21 -0.691 9.975 0.415 1.00 0.69 C ATOM 311 C LEU A 21 0.185 11.223 0.302 1.00 0.75 C ATOM 312 O LEU A 21 1.266 11.190 -0.251 1.00 0.92 O ATOM 313 CB LEU A 21 -1.944 10.119 -0.447 1.00 0.74 C ATOM 314 CG LEU A 21 -2.087 8.889 -1.346 1.00 0.84 C ATOM 315 CD1 LEU A 21 -2.803 7.775 -0.578 1.00 0.90 C ATOM 316 CD2 LEU A 21 -2.899 9.257 -2.589 1.00 1.44 C ATOM 0 H LEU A 21 -2.212 9.834 1.908 1.00 0.55 H new ATOM 0 HA LEU A 21 -0.079 9.128 0.105 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -2.825 10.224 0.187 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -1.879 11.022 -1.055 1.00 0.74 H new ATOM 0 HG LEU A 21 -1.098 8.543 -1.648 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -2.905 6.899 -1.218 1.00 0.90 H new ATOM 0 HD12 LEU A 21 -2.223 7.512 0.307 1.00 0.90 H new ATOM 0 HD13 LEU A 21 -3.792 8.120 -0.275 1.00 0.90 H new ATOM 0 HD21 LEU A 21 -3.001 8.381 -3.230 1.00 1.44 H new ATOM 0 HD22 LEU A 21 -3.888 9.604 -2.288 1.00 1.44 H new ATOM 0 HD23 LEU A 21 -2.388 10.049 -3.136 1.00 1.44 H new ATOM 328 N ALA A 22 -0.276 12.321 0.826 1.00 0.71 N ATOM 329 CA ALA A 22 0.523 13.577 0.757 1.00 0.85 C ATOM 330 C ALA A 22 1.237 13.818 2.089 1.00 0.89 C ATOM 331 O ALA A 22 1.575 14.934 2.432 1.00 1.08 O ATOM 332 CB ALA A 22 -0.499 14.682 0.488 1.00 1.00 C ATOM 0 H ALA A 22 -1.175 12.405 1.301 1.00 0.71 H new ATOM 0 HA ALA A 22 1.292 13.538 -0.015 1.00 0.85 H new ATOM 0 HB1 ALA A 22 0.012 15.643 0.423 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -1.014 14.481 -0.452 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -1.225 14.712 1.300 1.00 1.00 H new ATOM 338 N ALA A 23 1.466 12.778 2.844 1.00 0.86 N ATOM 339 CA ALA A 23 2.155 12.946 4.156 1.00 0.93 C ATOM 340 C ALA A 23 3.550 12.313 4.114 1.00 0.85 C ATOM 341 O ALA A 23 4.546 12.976 4.329 1.00 0.95 O ATOM 342 CB ALA A 23 1.266 12.218 5.166 1.00 1.05 C ATOM 0 H ALA A 23 1.206 11.820 2.610 1.00 0.86 H new ATOM 0 HA ALA A 23 2.294 13.996 4.415 1.00 0.93 H new ATOM 0 HB1 ALA A 23 1.706 12.296 6.160 1.00 1.05 H new ATOM 0 HB2 ALA A 23 0.275 12.671 5.171 1.00 1.05 H new ATOM 0 HB3 ALA A 23 1.183 11.168 4.887 1.00 1.05 H new ATOM 348 N HIS A 24 3.635 11.037 3.843 1.00 0.83 N ATOM 349 CA HIS A 24 4.972 10.377 3.796 1.00 0.84 C ATOM 350 C HIS A 24 5.407 10.146 2.345 1.00 0.82 C ATOM 351 O HIS A 24 6.105 9.200 2.041 1.00 1.30 O ATOM 352 CB HIS A 24 4.784 9.045 4.521 1.00 0.95 C ATOM 353 CG HIS A 24 5.299 9.168 5.930 1.00 1.22 C ATOM 354 ND1 HIS A 24 6.629 9.443 6.209 1.00 1.80 N ATOM 355 CD2 HIS A 24 4.675 9.056 7.148 1.00 1.84 C ATOM 356 CE1 HIS A 24 6.762 9.487 7.547 1.00 2.04 C ATOM 357 NE2 HIS A 24 5.601 9.259 8.168 1.00 2.00 N ATOM 0 H HIS A 24 2.840 10.426 3.653 1.00 0.83 H new ATOM 0 HA HIS A 24 5.746 10.988 4.260 1.00 0.84 H new ATOM 0 HB2 HIS A 24 3.730 8.768 4.530 1.00 0.95 H new ATOM 0 HB3 HIS A 24 5.317 8.253 3.995 1.00 0.95 H new ATOM 0 HD2 HIS A 24 3.626 8.843 7.293 1.00 1.84 H new ATOM 0 HE1 HIS A 24 7.694 9.683 8.057 1.00 2.04 H new ATOM 0 HE2 HIS A 24 5.430 9.238 9.173 1.00 2.00 H new ATOM 365 N LYS A 25 5.006 11.009 1.451 1.00 0.72 N ATOM 366 CA LYS A 25 5.401 10.846 0.020 1.00 0.69 C ATOM 367 C LYS A 25 5.072 9.428 -0.475 1.00 0.59 C ATOM 368 O LYS A 25 3.979 9.170 -0.941 1.00 0.68 O ATOM 369 CB LYS A 25 6.909 11.105 -0.003 1.00 0.81 C ATOM 370 CG LYS A 25 7.167 12.597 -0.222 1.00 1.20 C ATOM 371 CD LYS A 25 8.637 12.908 0.069 1.00 1.51 C ATOM 372 CE LYS A 25 9.359 13.234 -1.240 1.00 2.06 C ATOM 373 NZ LYS A 25 10.381 14.253 -0.870 1.00 2.47 N ATOM 0 H LYS A 25 4.421 11.821 1.649 1.00 0.72 H new ATOM 0 HA LYS A 25 4.864 11.528 -0.638 1.00 0.69 H new ATOM 0 HB2 LYS A 25 7.359 10.781 0.936 1.00 0.81 H new ATOM 0 HB3 LYS A 25 7.377 10.524 -0.798 1.00 0.81 H new ATOM 0 HG2 LYS A 25 6.922 12.873 -1.248 1.00 1.20 H new ATOM 0 HG3 LYS A 25 6.523 13.188 0.429 1.00 1.20 H new ATOM 0 HD2 LYS A 25 8.712 13.750 0.757 1.00 1.51 H new ATOM 0 HD3 LYS A 25 9.111 12.055 0.555 1.00 1.51 H new ATOM 0 HE2 LYS A 25 9.824 12.345 -1.667 1.00 2.06 H new ATOM 0 HE3 LYS A 25 8.667 13.622 -1.987 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 10.919 14.528 -1.716 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 9.909 15.090 -0.473 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 11.030 13.853 -0.162 1.00 2.47 H new ATOM 387 N TYR A 26 5.997 8.506 -0.385 1.00 0.52 N ATOM 388 CA TYR A 26 5.710 7.119 -0.858 1.00 0.48 C ATOM 389 C TYR A 26 4.680 6.458 0.060 1.00 0.46 C ATOM 390 O TYR A 26 4.870 6.369 1.257 1.00 0.53 O ATOM 391 CB TYR A 26 7.049 6.384 -0.779 1.00 0.56 C ATOM 392 CG TYR A 26 8.041 7.008 -1.736 1.00 0.65 C ATOM 393 CD1 TYR A 26 7.639 7.393 -3.024 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.369 7.197 -1.333 1.00 1.08 C ATOM 395 CE1 TYR A 26 8.565 7.967 -3.903 1.00 0.87 C ATOM 396 CE2 TYR A 26 10.294 7.772 -2.215 1.00 1.31 C ATOM 397 CZ TYR A 26 9.892 8.156 -3.499 1.00 1.08 C ATOM 398 OH TYR A 26 10.804 8.721 -4.366 1.00 1.33 O ATOM 0 H TYR A 26 6.933 8.653 -0.007 1.00 0.52 H new ATOM 0 HA TYR A 26 5.299 7.102 -1.867 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.437 6.427 0.239 1.00 0.56 H new ATOM 0 HB3 TYR A 26 6.910 5.331 -1.023 1.00 0.56 H new ATOM 0 HD1 TYR A 26 6.616 7.247 -3.337 1.00 0.75 H new ATOM 0 HD2 TYR A 26 9.680 6.900 -0.342 1.00 1.08 H new ATOM 0 HE1 TYR A 26 8.255 8.264 -4.894 1.00 0.87 H new ATOM 0 HE2 TYR A 26 11.318 7.919 -1.903 1.00 1.31 H new ATOM 0 HH TYR A 26 11.678 8.781 -3.928 1.00 1.33 H new ATOM 408 N LEU A 27 3.588 6.002 -0.487 1.00 0.46 N ATOM 409 CA LEU A 27 2.542 5.361 0.360 1.00 0.45 C ATOM 410 C LEU A 27 1.807 4.273 -0.428 1.00 0.40 C ATOM 411 O LEU A 27 1.162 4.547 -1.421 1.00 0.50 O ATOM 412 CB LEU A 27 1.585 6.507 0.707 1.00 0.51 C ATOM 413 CG LEU A 27 1.358 6.574 2.220 1.00 0.77 C ATOM 414 CD1 LEU A 27 0.654 5.303 2.690 1.00 1.93 C ATOM 415 CD2 LEU A 27 2.699 6.707 2.941 1.00 0.66 C ATOM 0 H LEU A 27 3.374 6.045 -1.483 1.00 0.46 H new ATOM 0 HA LEU A 27 2.958 4.879 1.245 1.00 0.45 H new ATOM 0 HB2 LEU A 27 1.996 7.452 0.352 1.00 0.51 H new ATOM 0 HB3 LEU A 27 0.633 6.362 0.196 1.00 0.51 H new ATOM 0 HG LEU A 27 0.738 7.441 2.449 1.00 0.77 H new ATOM 0 HD11 LEU A 27 0.494 5.353 3.767 1.00 1.93 H new ATOM 0 HD12 LEU A 27 -0.307 5.211 2.184 1.00 1.93 H new ATOM 0 HD13 LEU A 27 1.272 4.437 2.455 1.00 1.93 H new ATOM 0 HD21 LEU A 27 2.531 6.754 4.017 1.00 0.66 H new ATOM 0 HD22 LEU A 27 3.324 5.845 2.709 1.00 0.66 H new ATOM 0 HD23 LEU A 27 3.200 7.617 2.612 1.00 0.66 H new ATOM 427 N LEU A 28 1.881 3.040 0.007 1.00 0.33 N ATOM 428 CA LEU A 28 1.156 1.960 -0.735 1.00 0.32 C ATOM 429 C LEU A 28 -0.286 1.903 -0.248 1.00 0.29 C ATOM 430 O LEU A 28 -0.574 2.217 0.888 1.00 0.35 O ATOM 431 CB LEU A 28 1.852 0.630 -0.406 1.00 0.40 C ATOM 432 CG LEU A 28 3.268 0.576 -0.992 1.00 0.53 C ATOM 433 CD1 LEU A 28 3.240 0.942 -2.476 1.00 0.73 C ATOM 434 CD2 LEU A 28 4.167 1.545 -0.231 1.00 1.12 C ATOM 0 H LEU A 28 2.402 2.736 0.829 1.00 0.33 H new ATOM 0 HA LEU A 28 1.166 2.149 -1.808 1.00 0.32 H new ATOM 0 HB2 LEU A 28 1.900 0.501 0.675 1.00 0.40 H new ATOM 0 HB3 LEU A 28 1.262 -0.198 -0.800 1.00 0.40 H new ATOM 0 HG LEU A 28 3.660 -0.436 -0.892 1.00 0.53 H new ATOM 0 HD11 LEU A 28 4.251 0.900 -2.880 1.00 0.73 H new ATOM 0 HD12 LEU A 28 2.605 0.237 -3.013 1.00 0.73 H new ATOM 0 HD13 LEU A 28 2.843 1.950 -2.595 1.00 0.73 H new ATOM 0 HD21 LEU A 28 5.174 1.509 -0.646 1.00 1.12 H new ATOM 0 HD22 LEU A 28 3.773 2.557 -0.324 1.00 1.12 H new ATOM 0 HD23 LEU A 28 4.197 1.263 0.821 1.00 1.12 H new ATOM 446 N VAL A 29 -1.193 1.497 -1.085 1.00 0.32 N ATOM 447 CA VAL A 29 -2.612 1.417 -0.640 1.00 0.32 C ATOM 448 C VAL A 29 -3.311 0.264 -1.362 1.00 0.34 C ATOM 449 O VAL A 29 -3.516 0.303 -2.559 1.00 0.47 O ATOM 450 CB VAL A 29 -3.251 2.756 -1.021 1.00 0.40 C ATOM 451 CG1 VAL A 29 -4.619 2.861 -0.347 1.00 0.37 C ATOM 452 CG2 VAL A 29 -2.371 3.918 -0.549 1.00 0.77 C ATOM 0 H VAL A 29 -1.019 1.219 -2.051 1.00 0.32 H new ATOM 0 HA VAL A 29 -2.695 1.234 0.431 1.00 0.32 H new ATOM 0 HB VAL A 29 -3.356 2.807 -2.105 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -5.083 3.811 -0.612 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -5.254 2.041 -0.683 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -4.497 2.806 0.735 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -2.837 4.863 -0.826 1.00 0.77 H new ATOM 0 HG22 VAL A 29 -2.259 3.873 0.534 1.00 0.77 H new ATOM 0 HG23 VAL A 29 -1.390 3.846 -1.019 1.00 0.77 H new ATOM 462 N GLU A 30 -3.669 -0.764 -0.647 1.00 0.32 N ATOM 463 CA GLU A 30 -4.344 -1.920 -1.301 1.00 0.39 C ATOM 464 C GLU A 30 -5.828 -1.959 -0.924 1.00 0.36 C ATOM 465 O GLU A 30 -6.188 -1.931 0.236 1.00 0.42 O ATOM 466 CB GLU A 30 -3.612 -3.153 -0.765 1.00 0.52 C ATOM 467 CG GLU A 30 -4.325 -4.425 -1.232 1.00 0.64 C ATOM 468 CD GLU A 30 -3.671 -5.644 -0.581 1.00 0.89 C ATOM 469 OE1 GLU A 30 -2.453 -5.707 -0.574 1.00 1.60 O ATOM 470 OE2 GLU A 30 -4.400 -6.495 -0.097 1.00 1.48 O ATOM 0 H GLU A 30 -3.525 -0.855 0.359 1.00 0.32 H new ATOM 0 HA GLU A 30 -4.304 -1.862 -2.389 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -2.580 -3.155 -1.115 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -3.579 -3.123 0.324 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -5.381 -4.381 -0.967 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -4.272 -4.507 -2.318 1.00 0.64 H new ATOM 477 N PHE A 31 -6.689 -2.031 -1.902 1.00 0.35 N ATOM 478 CA PHE A 31 -8.149 -2.080 -1.616 1.00 0.36 C ATOM 479 C PHE A 31 -8.631 -3.532 -1.617 1.00 0.39 C ATOM 480 O PHE A 31 -8.779 -4.141 -2.659 1.00 0.49 O ATOM 481 CB PHE A 31 -8.794 -1.309 -2.767 1.00 0.41 C ATOM 482 CG PHE A 31 -8.415 0.150 -2.682 1.00 0.38 C ATOM 483 CD1 PHE A 31 -7.227 0.600 -3.271 1.00 0.45 C ATOM 484 CD2 PHE A 31 -9.248 1.053 -2.011 1.00 0.53 C ATOM 485 CE1 PHE A 31 -6.873 1.951 -3.190 1.00 0.52 C ATOM 486 CE2 PHE A 31 -8.894 2.405 -1.929 1.00 0.59 C ATOM 487 CZ PHE A 31 -7.718 2.857 -2.531 1.00 0.53 C ATOM 0 H PHE A 31 -6.442 -2.058 -2.891 1.00 0.35 H new ATOM 0 HA PHE A 31 -8.400 -1.657 -0.643 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -8.469 -1.723 -3.721 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.878 -1.415 -2.726 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -6.584 -0.096 -3.788 1.00 0.45 H new ATOM 0 HD2 PHE A 31 -10.164 0.706 -1.556 1.00 0.53 H new ATOM 0 HE1 PHE A 31 -5.951 2.296 -3.634 1.00 0.52 H new ATOM 0 HE2 PHE A 31 -9.531 3.099 -1.400 1.00 0.59 H new ATOM 0 HZ PHE A 31 -7.459 3.905 -2.489 1.00 0.53 H new ATOM 497 N TYR A 32 -8.876 -4.098 -0.468 1.00 0.37 N ATOM 498 CA TYR A 32 -9.344 -5.515 -0.433 1.00 0.44 C ATOM 499 C TYR A 32 -10.474 -5.689 0.592 1.00 0.40 C ATOM 500 O TYR A 32 -10.968 -4.733 1.157 1.00 0.45 O ATOM 501 CB TYR A 32 -8.101 -6.340 -0.054 1.00 0.54 C ATOM 502 CG TYR A 32 -7.774 -6.176 1.415 1.00 0.54 C ATOM 503 CD1 TYR A 32 -7.262 -4.959 1.883 1.00 0.58 C ATOM 504 CD2 TYR A 32 -7.978 -7.236 2.305 1.00 0.66 C ATOM 505 CE1 TYR A 32 -6.955 -4.803 3.239 1.00 0.67 C ATOM 506 CE2 TYR A 32 -7.671 -7.080 3.662 1.00 0.79 C ATOM 507 CZ TYR A 32 -7.180 -5.879 4.136 1.00 0.77 C ATOM 508 OH TYR A 32 -6.856 -5.710 5.467 1.00 0.94 O ATOM 0 H TYR A 32 -8.774 -3.647 0.441 1.00 0.37 H new ATOM 0 HA TYR A 32 -9.757 -5.837 -1.389 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -8.276 -7.393 -0.277 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -7.251 -6.023 -0.658 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -7.104 -4.140 1.196 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -8.372 -8.175 1.945 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -6.549 -3.870 3.601 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -7.819 -7.905 4.343 1.00 0.79 H new ATOM 0 HH TYR A 32 -7.066 -6.530 5.961 1.00 0.94 H new ATOM 518 N ALA A 33 -10.882 -6.905 0.833 1.00 0.40 N ATOM 519 CA ALA A 33 -11.976 -7.147 1.818 1.00 0.44 C ATOM 520 C ALA A 33 -11.540 -8.206 2.838 1.00 0.53 C ATOM 521 O ALA A 33 -10.615 -8.954 2.591 1.00 0.56 O ATOM 522 CB ALA A 33 -13.153 -7.655 0.985 1.00 0.49 C ATOM 0 H ALA A 33 -10.505 -7.743 0.390 1.00 0.40 H new ATOM 0 HA ALA A 33 -12.234 -6.250 2.381 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -14.001 -7.857 1.639 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -13.433 -6.899 0.251 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.866 -8.572 0.470 1.00 0.49 H new ATOM 528 N PRO A 34 -12.221 -8.240 3.957 1.00 0.63 N ATOM 529 CA PRO A 34 -11.888 -9.227 5.017 1.00 0.78 C ATOM 530 C PRO A 34 -12.267 -10.648 4.578 1.00 0.82 C ATOM 531 O PRO A 34 -11.940 -11.614 5.238 1.00 0.96 O ATOM 532 CB PRO A 34 -12.734 -8.778 6.205 1.00 0.90 C ATOM 533 CG PRO A 34 -13.874 -8.024 5.598 1.00 0.81 C ATOM 534 CD PRO A 34 -13.351 -7.381 4.343 1.00 0.66 C ATOM 0 HA PRO A 34 -10.823 -9.261 5.246 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -13.087 -9.631 6.784 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -12.160 -8.148 6.884 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -14.704 -8.694 5.372 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -14.251 -7.271 6.290 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -14.112 -7.346 3.564 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -13.031 -6.355 4.522 1.00 0.66 H new ATOM 542 N TRP A 35 -12.948 -10.788 3.471 1.00 0.74 N ATOM 543 CA TRP A 35 -13.335 -12.152 3.003 1.00 0.83 C ATOM 544 C TRP A 35 -12.814 -12.408 1.581 1.00 0.78 C ATOM 545 O TRP A 35 -13.077 -13.440 0.996 1.00 0.92 O ATOM 546 CB TRP A 35 -14.866 -12.159 3.018 1.00 0.91 C ATOM 547 CG TRP A 35 -15.381 -11.044 2.165 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.736 -9.820 2.619 1.00 0.84 C ATOM 549 CD2 TRP A 35 -15.604 -11.029 0.725 1.00 1.25 C ATOM 550 NE1 TRP A 35 -16.162 -9.054 1.549 1.00 0.85 N ATOM 551 CE2 TRP A 35 -16.100 -9.754 0.361 1.00 1.19 C ATOM 552 CE3 TRP A 35 -15.427 -11.986 -0.290 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -16.409 -9.441 -0.964 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -15.737 -11.674 -1.624 1.00 2.36 C ATOM 555 CH2 TRP A 35 -16.227 -10.404 -1.959 1.00 2.26 C ATOM 0 H TRP A 35 -13.252 -10.020 2.873 1.00 0.74 H new ATOM 0 HA TRP A 35 -12.913 -12.932 3.636 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.239 -13.115 2.649 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -15.230 -12.047 4.039 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -15.694 -9.494 3.648 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -16.483 -8.089 1.628 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -15.050 -12.967 -0.042 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -16.786 -8.461 -1.218 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -15.597 -12.416 -2.396 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -16.464 -10.170 -2.986 1.00 2.26 H new ATOM 566 N CYS A 36 -12.079 -11.484 1.017 1.00 0.65 N ATOM 567 CA CYS A 36 -11.554 -11.693 -0.363 1.00 0.67 C ATOM 568 C CYS A 36 -10.727 -12.981 -0.427 1.00 0.84 C ATOM 569 O CYS A 36 -10.283 -13.496 0.580 1.00 1.63 O ATOM 570 CB CYS A 36 -10.675 -10.470 -0.642 1.00 0.58 C ATOM 571 SG CYS A 36 -9.298 -10.421 0.533 1.00 1.07 S ATOM 0 H CYS A 36 -11.821 -10.598 1.451 1.00 0.65 H new ATOM 0 HA CYS A 36 -12.352 -11.796 -1.098 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.293 -10.511 -1.662 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -11.268 -9.559 -0.560 1.00 0.58 H new ATOM 576 N GLY A 37 -10.517 -13.504 -1.603 1.00 0.96 N ATOM 577 CA GLY A 37 -9.718 -14.755 -1.730 1.00 1.08 C ATOM 578 C GLY A 37 -8.332 -14.416 -2.285 1.00 1.00 C ATOM 579 O GLY A 37 -8.086 -13.309 -2.725 1.00 1.83 O ATOM 0 H GLY A 37 -10.864 -13.119 -2.482 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -9.625 -15.241 -0.759 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -10.225 -15.458 -2.391 1.00 1.08 H new ATOM 583 N HIS A 38 -7.427 -15.358 -2.268 1.00 0.89 N ATOM 584 CA HIS A 38 -6.055 -15.091 -2.796 1.00 0.97 C ATOM 585 C HIS A 38 -5.454 -13.848 -2.136 1.00 0.88 C ATOM 586 O HIS A 38 -4.547 -13.231 -2.661 1.00 1.13 O ATOM 587 CB HIS A 38 -6.249 -14.852 -4.290 1.00 1.32 C ATOM 588 CG HIS A 38 -6.696 -16.126 -4.953 1.00 1.72 C ATOM 589 ND1 HIS A 38 -6.549 -17.366 -4.351 1.00 2.39 N ATOM 590 CD2 HIS A 38 -7.289 -16.368 -6.167 1.00 2.35 C ATOM 591 CE1 HIS A 38 -7.042 -18.289 -5.197 1.00 2.85 C ATOM 592 NE2 HIS A 38 -7.505 -17.734 -6.320 1.00 2.87 N ATOM 0 H HIS A 38 -7.578 -16.302 -1.911 1.00 0.89 H new ATOM 0 HA HIS A 38 -5.373 -15.917 -2.593 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -6.990 -14.068 -4.450 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -5.317 -14.506 -4.737 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -7.549 -15.612 -6.894 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -7.061 -19.349 -4.993 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -7.926 -18.209 -7.118 1.00 2.87 H new ATOM 600 N CYS A 39 -5.945 -13.482 -0.989 1.00 0.79 N ATOM 601 CA CYS A 39 -5.397 -12.285 -0.290 1.00 0.88 C ATOM 602 C CYS A 39 -4.271 -12.713 0.646 1.00 0.82 C ATOM 603 O CYS A 39 -3.266 -12.044 0.784 1.00 1.00 O ATOM 604 CB CYS A 39 -6.572 -11.716 0.507 1.00 1.08 C ATOM 605 SG CYS A 39 -7.672 -10.798 -0.599 1.00 1.00 S ATOM 0 H CYS A 39 -6.704 -13.959 -0.502 1.00 0.79 H new ATOM 0 HA CYS A 39 -4.985 -11.548 -0.979 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -7.120 -12.524 0.992 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -6.205 -11.061 1.297 1.00 1.08 H new ATOM 610 N LYS A 40 -4.436 -13.833 1.288 1.00 0.78 N ATOM 611 CA LYS A 40 -3.386 -14.332 2.220 1.00 0.94 C ATOM 612 C LYS A 40 -2.084 -14.597 1.459 1.00 0.84 C ATOM 613 O LYS A 40 -1.007 -14.569 2.022 1.00 0.94 O ATOM 614 CB LYS A 40 -3.952 -15.637 2.783 1.00 1.21 C ATOM 615 CG LYS A 40 -4.272 -16.599 1.634 1.00 1.56 C ATOM 616 CD LYS A 40 -5.545 -17.382 1.962 1.00 2.11 C ATOM 617 CE LYS A 40 -5.186 -18.628 2.775 1.00 2.72 C ATOM 618 NZ LYS A 40 -5.334 -19.764 1.822 1.00 3.29 N ATOM 0 H LYS A 40 -5.259 -14.430 1.208 1.00 0.78 H new ATOM 0 HA LYS A 40 -3.153 -13.613 3.005 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -3.232 -16.093 3.463 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -4.853 -15.434 3.362 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -4.404 -16.043 0.706 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -3.440 -17.286 1.478 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -6.235 -16.754 2.525 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -6.054 -17.670 1.042 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -4.169 -18.567 3.162 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -5.848 -18.744 3.633 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -5.105 -20.655 2.306 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -6.314 -19.801 1.475 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -4.687 -19.630 1.019 1.00 3.29 H new ATOM 632 N ALA A 41 -2.173 -14.858 0.183 1.00 0.77 N ATOM 633 CA ALA A 41 -0.943 -15.131 -0.614 1.00 0.86 C ATOM 634 C ALA A 41 0.062 -13.983 -0.467 1.00 0.75 C ATOM 635 O ALA A 41 1.244 -14.152 -0.688 1.00 0.90 O ATOM 636 CB ALA A 41 -1.425 -15.237 -2.060 1.00 0.93 C ATOM 0 H ALA A 41 -3.046 -14.894 -0.343 1.00 0.77 H new ATOM 0 HA ALA A 41 -0.434 -16.036 -0.283 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -0.576 -15.438 -2.713 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -2.147 -16.049 -2.144 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -1.896 -14.300 -2.356 1.00 0.93 H new ATOM 642 N LEU A 42 -0.395 -12.818 -0.098 1.00 0.65 N ATOM 643 CA LEU A 42 0.542 -11.668 0.059 1.00 0.67 C ATOM 644 C LEU A 42 0.236 -10.907 1.351 1.00 0.63 C ATOM 645 O LEU A 42 0.566 -9.747 1.493 1.00 0.70 O ATOM 646 CB LEU A 42 0.288 -10.780 -1.160 1.00 0.82 C ATOM 647 CG LEU A 42 1.503 -9.881 -1.398 1.00 0.86 C ATOM 648 CD1 LEU A 42 2.626 -10.700 -2.039 1.00 1.24 C ATOM 649 CD2 LEU A 42 1.114 -8.732 -2.331 1.00 1.37 C ATOM 0 H LEU A 42 -1.374 -12.612 0.101 1.00 0.65 H new ATOM 0 HA LEU A 42 1.582 -11.989 0.120 1.00 0.67 H new ATOM 0 HB2 LEU A 42 0.100 -11.396 -2.039 1.00 0.82 H new ATOM 0 HB3 LEU A 42 -0.602 -10.172 -1.001 1.00 0.82 H new ATOM 0 HG LEU A 42 1.846 -9.476 -0.446 1.00 0.86 H new ATOM 0 HD11 LEU A 42 3.492 -10.060 -2.209 1.00 1.24 H new ATOM 0 HD12 LEU A 42 2.904 -11.518 -1.375 1.00 1.24 H new ATOM 0 HD13 LEU A 42 2.283 -11.106 -2.991 1.00 1.24 H new ATOM 0 HD21 LEU A 42 1.980 -8.092 -2.500 1.00 1.37 H new ATOM 0 HD22 LEU A 42 0.770 -9.137 -3.283 1.00 1.37 H new ATOM 0 HD23 LEU A 42 0.314 -8.148 -1.875 1.00 1.37 H new ATOM 661 N ALA A 43 -0.392 -11.553 2.295 1.00 0.71 N ATOM 662 CA ALA A 43 -0.719 -10.869 3.579 1.00 0.73 C ATOM 663 C ALA A 43 0.541 -10.728 4.446 1.00 0.67 C ATOM 664 O ALA A 43 0.903 -9.633 4.828 1.00 0.65 O ATOM 665 CB ALA A 43 -1.743 -11.774 4.262 1.00 0.88 C ATOM 0 H ALA A 43 -0.693 -12.526 2.233 1.00 0.71 H new ATOM 0 HA ALA A 43 -1.107 -9.863 3.421 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -2.035 -11.337 5.217 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -2.622 -11.874 3.625 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -1.304 -12.757 4.431 1.00 0.88 H new ATOM 671 N PRO A 44 1.172 -11.841 4.733 1.00 0.69 N ATOM 672 CA PRO A 44 2.399 -11.815 5.566 1.00 0.70 C ATOM 673 C PRO A 44 3.589 -11.252 4.776 1.00 0.59 C ATOM 674 O PRO A 44 4.659 -11.056 5.315 1.00 0.65 O ATOM 675 CB PRO A 44 2.626 -13.281 5.920 1.00 0.83 C ATOM 676 CG PRO A 44 1.952 -14.054 4.831 1.00 0.84 C ATOM 677 CD PRO A 44 0.815 -13.209 4.321 1.00 0.76 C ATOM 0 HA PRO A 44 2.298 -11.178 6.445 1.00 0.70 H new ATOM 0 HB2 PRO A 44 3.690 -13.515 5.969 1.00 0.83 H new ATOM 0 HB3 PRO A 44 2.202 -13.521 6.895 1.00 0.83 H new ATOM 0 HG2 PRO A 44 2.654 -14.279 4.028 1.00 0.84 H new ATOM 0 HG3 PRO A 44 1.583 -15.008 5.208 1.00 0.84 H new ATOM 0 HD2 PRO A 44 0.715 -13.286 3.238 1.00 0.76 H new ATOM 0 HD3 PRO A 44 -0.137 -13.520 4.752 1.00 0.76 H new ATOM 685 N GLU A 45 3.413 -10.981 3.508 1.00 0.53 N ATOM 686 CA GLU A 45 4.539 -10.424 2.706 1.00 0.46 C ATOM 687 C GLU A 45 4.402 -8.905 2.630 1.00 0.41 C ATOM 688 O GLU A 45 5.371 -8.184 2.505 1.00 0.47 O ATOM 689 CB GLU A 45 4.388 -11.051 1.317 1.00 0.48 C ATOM 690 CG GLU A 45 4.326 -12.576 1.443 1.00 0.61 C ATOM 691 CD GLU A 45 2.908 -13.067 1.131 1.00 1.12 C ATOM 692 OE1 GLU A 45 2.071 -12.243 0.801 1.00 1.90 O ATOM 693 OE2 GLU A 45 2.685 -14.263 1.226 1.00 1.83 O ATOM 0 H GLU A 45 2.542 -11.121 2.997 1.00 0.53 H new ATOM 0 HA GLU A 45 5.515 -10.643 3.139 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.483 -10.679 0.836 1.00 0.48 H new ATOM 0 HB3 GLU A 45 5.227 -10.763 0.684 1.00 0.48 H new ATOM 0 HG2 GLU A 45 5.038 -13.036 0.758 1.00 0.61 H new ATOM 0 HG3 GLU A 45 4.612 -12.878 2.450 1.00 0.61 H new ATOM 700 N TYR A 46 3.197 -8.419 2.718 1.00 0.43 N ATOM 701 CA TYR A 46 2.970 -6.950 2.666 1.00 0.48 C ATOM 702 C TYR A 46 3.150 -6.359 4.077 1.00 0.52 C ATOM 703 O TYR A 46 3.387 -5.178 4.240 1.00 0.69 O ATOM 704 CB TYR A 46 1.523 -6.823 2.128 1.00 0.64 C ATOM 705 CG TYR A 46 0.746 -5.713 2.810 1.00 0.72 C ATOM 706 CD1 TYR A 46 1.008 -4.380 2.473 1.00 1.02 C ATOM 707 CD2 TYR A 46 -0.225 -6.012 3.775 1.00 1.03 C ATOM 708 CE1 TYR A 46 0.299 -3.348 3.096 1.00 1.38 C ATOM 709 CE2 TYR A 46 -0.931 -4.980 4.398 1.00 1.39 C ATOM 710 CZ TYR A 46 -0.702 -3.682 4.078 1.00 1.50 C ATOM 711 OH TYR A 46 -1.371 -2.630 4.669 1.00 1.95 O ATOM 0 H TYR A 46 2.353 -8.981 2.825 1.00 0.43 H new ATOM 0 HA TYR A 46 3.668 -6.402 2.032 1.00 0.48 H new ATOM 0 HB2 TYR A 46 1.553 -6.635 1.055 1.00 0.64 H new ATOM 0 HB3 TYR A 46 1.001 -7.769 2.272 1.00 0.64 H new ATOM 0 HD1 TYR A 46 1.758 -4.148 1.731 1.00 1.02 H new ATOM 0 HD2 TYR A 46 -0.428 -7.040 4.037 1.00 1.03 H new ATOM 0 HE1 TYR A 46 0.498 -2.317 2.845 1.00 1.38 H new ATOM 0 HE2 TYR A 46 -1.671 -5.220 5.147 1.00 1.39 H new ATOM 0 HH TYR A 46 -1.370 -2.747 5.642 1.00 1.95 H new ATOM 721 N ALA A 47 3.039 -7.172 5.094 1.00 0.53 N ATOM 722 CA ALA A 47 3.202 -6.656 6.484 1.00 0.62 C ATOM 723 C ALA A 47 4.638 -6.871 6.978 1.00 0.58 C ATOM 724 O ALA A 47 5.037 -6.335 7.993 1.00 0.68 O ATOM 725 CB ALA A 47 2.221 -7.474 7.325 1.00 0.73 C ATOM 0 H ALA A 47 2.843 -8.170 5.022 1.00 0.53 H new ATOM 0 HA ALA A 47 3.007 -5.585 6.547 1.00 0.62 H new ATOM 0 HB1 ALA A 47 2.279 -7.154 8.365 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.208 -7.320 6.954 1.00 0.73 H new ATOM 0 HB3 ALA A 47 2.476 -8.531 7.255 1.00 0.73 H new ATOM 731 N LYS A 48 5.420 -7.652 6.278 1.00 0.51 N ATOM 732 CA LYS A 48 6.822 -7.892 6.728 1.00 0.55 C ATOM 733 C LYS A 48 7.777 -6.891 6.071 1.00 0.53 C ATOM 734 O LYS A 48 8.819 -6.571 6.608 1.00 0.65 O ATOM 735 CB LYS A 48 7.144 -9.317 6.275 1.00 0.60 C ATOM 736 CG LYS A 48 7.271 -10.226 7.498 1.00 1.03 C ATOM 737 CD LYS A 48 5.876 -10.565 8.030 1.00 1.41 C ATOM 738 CE LYS A 48 5.601 -12.059 7.835 1.00 1.92 C ATOM 739 NZ LYS A 48 5.321 -12.578 9.203 1.00 2.47 N ATOM 0 H LYS A 48 5.150 -8.131 5.419 1.00 0.51 H new ATOM 0 HA LYS A 48 6.933 -7.769 7.805 1.00 0.55 H new ATOM 0 HB2 LYS A 48 6.359 -9.686 5.615 1.00 0.60 H new ATOM 0 HB3 LYS A 48 8.072 -9.327 5.704 1.00 0.60 H new ATOM 0 HG2 LYS A 48 7.802 -11.140 7.231 1.00 1.03 H new ATOM 0 HG3 LYS A 48 7.857 -9.731 8.273 1.00 1.03 H new ATOM 0 HD2 LYS A 48 5.806 -10.307 9.087 1.00 1.41 H new ATOM 0 HD3 LYS A 48 5.123 -9.975 7.507 1.00 1.41 H new ATOM 0 HE2 LYS A 48 4.753 -12.221 7.170 1.00 1.92 H new ATOM 0 HE3 LYS A 48 6.458 -12.564 7.388 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 5.123 -13.598 9.154 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 6.148 -12.415 9.812 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 4.496 -12.084 9.600 1.00 2.47 H new ATOM 753 N ALA A 49 7.434 -6.396 4.915 1.00 0.47 N ATOM 754 CA ALA A 49 8.326 -5.420 4.227 1.00 0.50 C ATOM 755 C ALA A 49 8.459 -4.141 5.058 1.00 0.53 C ATOM 756 O ALA A 49 9.480 -3.480 5.042 1.00 0.65 O ATOM 757 CB ALA A 49 7.637 -5.125 2.895 1.00 0.55 C ATOM 0 H ALA A 49 6.574 -6.625 4.416 1.00 0.47 H new ATOM 0 HA ALA A 49 9.334 -5.811 4.088 1.00 0.50 H new ATOM 0 HB1 ALA A 49 8.234 -4.411 2.327 1.00 0.55 H new ATOM 0 HB2 ALA A 49 7.536 -6.049 2.325 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.649 -4.704 3.082 1.00 0.55 H new ATOM 763 N ALA A 50 7.436 -3.786 5.783 1.00 0.54 N ATOM 764 CA ALA A 50 7.499 -2.548 6.615 1.00 0.65 C ATOM 765 C ALA A 50 8.471 -2.736 7.786 1.00 0.65 C ATOM 766 O ALA A 50 8.914 -1.780 8.394 1.00 0.77 O ATOM 767 CB ALA A 50 6.073 -2.348 7.130 1.00 0.76 C ATOM 0 H ALA A 50 6.556 -4.299 5.837 1.00 0.54 H new ATOM 0 HA ALA A 50 7.856 -1.689 6.047 1.00 0.65 H new ATOM 0 HB1 ALA A 50 6.033 -1.455 7.753 1.00 0.76 H new ATOM 0 HB2 ALA A 50 5.394 -2.232 6.285 1.00 0.76 H new ATOM 0 HB3 ALA A 50 5.774 -3.215 7.719 1.00 0.76 H new ATOM 773 N GLY A 51 8.803 -3.955 8.110 1.00 0.59 N ATOM 774 CA GLY A 51 9.740 -4.193 9.244 1.00 0.69 C ATOM 775 C GLY A 51 11.179 -4.248 8.725 1.00 0.78 C ATOM 776 O GLY A 51 12.122 -4.028 9.460 1.00 0.90 O ATOM 0 H GLY A 51 8.467 -4.795 7.640 1.00 0.59 H new ATOM 0 HA2 GLY A 51 9.640 -3.398 9.983 1.00 0.69 H new ATOM 0 HA3 GLY A 51 9.489 -5.128 9.745 1.00 0.69 H new ATOM 780 N LYS A 52 11.359 -4.543 7.467 1.00 0.80 N ATOM 781 CA LYS A 52 12.740 -4.615 6.908 1.00 1.01 C ATOM 782 C LYS A 52 13.298 -3.208 6.670 1.00 1.12 C ATOM 783 O LYS A 52 14.488 -2.981 6.756 1.00 1.31 O ATOM 784 CB LYS A 52 12.591 -5.365 5.585 1.00 1.15 C ATOM 785 CG LYS A 52 12.174 -6.809 5.863 1.00 1.49 C ATOM 786 CD LYS A 52 13.320 -7.543 6.563 1.00 1.97 C ATOM 787 CE LYS A 52 13.518 -8.916 5.916 1.00 2.64 C ATOM 788 NZ LYS A 52 14.986 -9.160 5.977 1.00 3.08 N ATOM 0 H LYS A 52 10.611 -4.737 6.802 1.00 0.80 H new ATOM 0 HA LYS A 52 13.432 -5.114 7.586 1.00 1.01 H new ATOM 0 HB2 LYS A 52 11.846 -4.874 4.958 1.00 1.15 H new ATOM 0 HB3 LYS A 52 13.532 -5.346 5.036 1.00 1.15 H new ATOM 0 HG2 LYS A 52 11.281 -6.827 6.487 1.00 1.49 H new ATOM 0 HG3 LYS A 52 11.921 -7.312 4.930 1.00 1.49 H new ATOM 0 HD2 LYS A 52 14.238 -6.959 6.491 1.00 1.97 H new ATOM 0 HD3 LYS A 52 13.098 -7.658 7.624 1.00 1.97 H new ATOM 0 HE2 LYS A 52 12.966 -9.689 6.452 1.00 2.64 H new ATOM 0 HE3 LYS A 52 13.159 -8.923 4.887 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 15.202 -10.084 5.552 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 15.484 -8.413 5.453 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 15.298 -9.154 6.969 1.00 3.08 H new ATOM 802 N LEU A 53 12.449 -2.263 6.371 1.00 1.12 N ATOM 803 CA LEU A 53 12.940 -0.875 6.126 1.00 1.33 C ATOM 804 C LEU A 53 12.840 -0.028 7.405 1.00 1.30 C ATOM 805 O LEU A 53 13.348 1.074 7.466 1.00 1.50 O ATOM 806 CB LEU A 53 12.031 -0.315 5.026 1.00 1.55 C ATOM 807 CG LEU A 53 10.602 -0.153 5.556 1.00 1.47 C ATOM 808 CD1 LEU A 53 10.406 1.278 6.060 1.00 2.07 C ATOM 809 CD2 LEU A 53 9.606 -0.435 4.429 1.00 1.82 C ATOM 0 H LEU A 53 11.441 -2.390 6.286 1.00 1.12 H new ATOM 0 HA LEU A 53 13.989 -0.860 5.830 1.00 1.33 H new ATOM 0 HB2 LEU A 53 12.412 0.647 4.684 1.00 1.55 H new ATOM 0 HB3 LEU A 53 12.034 -0.984 4.165 1.00 1.55 H new ATOM 0 HG LEU A 53 10.435 -0.854 6.374 1.00 1.47 H new ATOM 0 HD11 LEU A 53 9.390 1.395 6.437 1.00 2.07 H new ATOM 0 HD12 LEU A 53 11.116 1.482 6.861 1.00 2.07 H new ATOM 0 HD13 LEU A 53 10.572 1.978 5.241 1.00 2.07 H new ATOM 0 HD21 LEU A 53 8.589 -0.320 4.805 1.00 1.82 H new ATOM 0 HD22 LEU A 53 9.772 0.267 3.612 1.00 1.82 H new ATOM 0 HD23 LEU A 53 9.746 -1.453 4.066 1.00 1.82 H new ATOM 821 N LYS A 54 12.192 -0.528 8.424 1.00 1.20 N ATOM 822 CA LYS A 54 12.070 0.258 9.685 1.00 1.35 C ATOM 823 C LYS A 54 13.442 0.427 10.340 1.00 1.40 C ATOM 824 O LYS A 54 13.713 1.417 10.992 1.00 1.67 O ATOM 825 CB LYS A 54 11.148 -0.569 10.580 1.00 1.46 C ATOM 826 CG LYS A 54 10.896 0.181 11.891 1.00 1.91 C ATOM 827 CD LYS A 54 9.965 -0.644 12.780 1.00 2.50 C ATOM 828 CE LYS A 54 9.944 -0.050 14.190 1.00 2.87 C ATOM 829 NZ LYS A 54 8.635 0.654 14.291 1.00 3.88 N ATOM 0 H LYS A 54 11.743 -1.444 8.437 1.00 1.20 H new ATOM 0 HA LYS A 54 11.678 1.260 9.509 1.00 1.35 H new ATOM 0 HB2 LYS A 54 10.203 -0.758 10.070 1.00 1.46 H new ATOM 0 HB3 LYS A 54 11.599 -1.540 10.786 1.00 1.46 H new ATOM 0 HG2 LYS A 54 11.840 0.363 12.405 1.00 1.91 H new ATOM 0 HG3 LYS A 54 10.451 1.155 11.686 1.00 1.91 H new ATOM 0 HD2 LYS A 54 8.958 -0.651 12.362 1.00 2.50 H new ATOM 0 HD3 LYS A 54 10.303 -1.680 12.816 1.00 2.50 H new ATOM 0 HE2 LYS A 54 10.033 -0.828 14.948 1.00 2.87 H new ATOM 0 HE3 LYS A 54 10.775 0.639 14.341 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 8.546 1.088 15.232 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 8.581 1.394 13.562 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 7.862 -0.028 14.150 1.00 3.88 H new ATOM 843 N ALA A 55 14.311 -0.533 10.178 1.00 1.63 N ATOM 844 CA ALA A 55 15.663 -0.426 10.796 1.00 2.20 C ATOM 845 C ALA A 55 16.383 0.825 10.289 1.00 2.03 C ATOM 846 O ALA A 55 17.088 1.489 11.023 1.00 2.38 O ATOM 847 CB ALA A 55 16.403 -1.689 10.353 1.00 2.78 C ATOM 0 H ALA A 55 14.143 -1.386 9.645 1.00 1.63 H new ATOM 0 HA ALA A 55 15.613 -0.342 11.882 1.00 2.20 H new ATOM 0 HB1 ALA A 55 17.411 -1.685 10.769 1.00 2.78 H new ATOM 0 HB2 ALA A 55 15.867 -2.569 10.709 1.00 2.78 H new ATOM 0 HB3 ALA A 55 16.460 -1.715 9.265 1.00 2.78 H new ATOM 853 N GLU A 56 16.211 1.151 9.039 1.00 1.67 N ATOM 854 CA GLU A 56 16.886 2.360 8.483 1.00 1.70 C ATOM 855 C GLU A 56 15.920 3.549 8.442 1.00 1.53 C ATOM 856 O GLU A 56 16.323 4.677 8.233 1.00 1.98 O ATOM 857 CB GLU A 56 17.313 1.964 7.069 1.00 1.99 C ATOM 858 CG GLU A 56 16.078 1.625 6.234 1.00 2.69 C ATOM 859 CD GLU A 56 16.453 1.612 4.751 1.00 3.21 C ATOM 860 OE1 GLU A 56 17.234 2.460 4.350 1.00 3.64 O ATOM 861 OE2 GLU A 56 15.954 0.755 4.041 1.00 3.63 O ATOM 0 H GLU A 56 15.633 0.634 8.377 1.00 1.67 H new ATOM 0 HA GLU A 56 17.734 2.670 9.094 1.00 1.70 H new ATOM 0 HB2 GLU A 56 17.866 2.780 6.604 1.00 1.99 H new ATOM 0 HB3 GLU A 56 17.984 1.106 7.108 1.00 1.99 H new ATOM 0 HG2 GLU A 56 15.682 0.653 6.529 1.00 2.69 H new ATOM 0 HG3 GLU A 56 15.291 2.358 6.415 1.00 2.69 H new ATOM 868 N GLY A 57 14.649 3.313 8.636 1.00 1.58 N ATOM 869 CA GLY A 57 13.672 4.439 8.605 1.00 2.25 C ATOM 870 C GLY A 57 13.538 4.955 7.172 1.00 1.97 C ATOM 871 O GLY A 57 13.492 6.146 6.932 1.00 2.50 O ATOM 0 H GLY A 57 14.247 2.393 8.814 1.00 1.58 H new ATOM 0 HA2 GLY A 57 12.703 4.105 8.975 1.00 2.25 H new ATOM 0 HA3 GLY A 57 14.005 5.242 9.263 1.00 2.25 H new ATOM 875 N SER A 58 13.476 4.068 6.217 1.00 1.30 N ATOM 876 CA SER A 58 13.346 4.503 4.793 1.00 1.23 C ATOM 877 C SER A 58 12.207 5.517 4.643 1.00 1.03 C ATOM 878 O SER A 58 11.466 5.775 5.569 1.00 1.27 O ATOM 879 CB SER A 58 13.025 3.223 4.021 1.00 1.53 C ATOM 880 OG SER A 58 13.146 3.471 2.628 1.00 2.13 O ATOM 0 H SER A 58 13.510 3.059 6.359 1.00 1.30 H new ATOM 0 HA SER A 58 14.250 4.990 4.428 1.00 1.23 H new ATOM 0 HB2 SER A 58 13.704 2.425 4.320 1.00 1.53 H new ATOM 0 HB3 SER A 58 12.015 2.887 4.256 1.00 1.53 H new ATOM 0 HG SER A 58 12.942 2.651 2.131 1.00 2.13 H new ATOM 886 N GLU A 59 12.066 6.092 3.480 1.00 0.85 N ATOM 887 CA GLU A 59 10.975 7.089 3.269 1.00 0.87 C ATOM 888 C GLU A 59 9.776 6.421 2.589 1.00 0.76 C ATOM 889 O GLU A 59 9.024 7.051 1.873 1.00 1.06 O ATOM 890 CB GLU A 59 11.584 8.166 2.367 1.00 1.10 C ATOM 891 CG GLU A 59 11.944 7.562 1.006 1.00 1.05 C ATOM 892 CD GLU A 59 10.780 6.706 0.504 1.00 1.58 C ATOM 893 OE1 GLU A 59 9.645 7.111 0.697 1.00 2.22 O ATOM 894 OE2 GLU A 59 11.043 5.657 -0.063 1.00 2.13 O ATOM 0 H GLU A 59 12.657 5.916 2.668 1.00 0.85 H new ATOM 0 HA GLU A 59 10.612 7.510 4.206 1.00 0.87 H new ATOM 0 HB2 GLU A 59 10.877 8.985 2.236 1.00 1.10 H new ATOM 0 HB3 GLU A 59 12.474 8.585 2.836 1.00 1.10 H new ATOM 0 HG2 GLU A 59 12.161 8.355 0.290 1.00 1.05 H new ATOM 0 HG3 GLU A 59 12.845 6.955 1.092 1.00 1.05 H new ATOM 901 N ILE A 60 9.593 5.148 2.812 1.00 0.59 N ATOM 902 CA ILE A 60 8.444 4.434 2.184 1.00 0.57 C ATOM 903 C ILE A 60 7.486 3.924 3.264 1.00 0.52 C ATOM 904 O ILE A 60 7.903 3.452 4.303 1.00 0.63 O ATOM 905 CB ILE A 60 9.072 3.267 1.417 1.00 0.68 C ATOM 906 CG1 ILE A 60 9.763 2.315 2.400 1.00 1.46 C ATOM 907 CG2 ILE A 60 10.100 3.808 0.421 1.00 1.34 C ATOM 908 CD1 ILE A 60 10.412 1.166 1.629 1.00 1.60 C ATOM 0 H ILE A 60 10.191 4.570 3.403 1.00 0.59 H new ATOM 0 HA ILE A 60 7.862 5.081 1.528 1.00 0.57 H new ATOM 0 HB ILE A 60 8.293 2.726 0.880 1.00 0.68 H new ATOM 0 HG12 ILE A 60 10.517 2.853 2.974 1.00 1.46 H new ATOM 0 HG13 ILE A 60 9.038 1.924 3.114 1.00 1.46 H new ATOM 0 HG21 ILE A 60 10.548 2.979 -0.126 1.00 1.34 H new ATOM 0 HG22 ILE A 60 9.608 4.481 -0.281 1.00 1.34 H new ATOM 0 HG23 ILE A 60 10.878 4.350 0.959 1.00 1.34 H new ATOM 0 HD11 ILE A 60 10.903 0.490 2.329 1.00 1.60 H new ATOM 0 HD12 ILE A 60 9.647 0.622 1.075 1.00 1.60 H new ATOM 0 HD13 ILE A 60 11.149 1.566 0.933 1.00 1.60 H new ATOM 920 N ARG A 61 6.204 4.014 3.031 1.00 0.45 N ATOM 921 CA ARG A 61 5.225 3.535 4.050 1.00 0.45 C ATOM 922 C ARG A 61 4.121 2.713 3.385 1.00 0.41 C ATOM 923 O ARG A 61 3.601 3.077 2.349 1.00 0.55 O ATOM 924 CB ARG A 61 4.660 4.805 4.686 1.00 0.51 C ATOM 925 CG ARG A 61 5.386 5.080 6.005 1.00 0.75 C ATOM 926 CD ARG A 61 4.697 4.318 7.139 1.00 0.97 C ATOM 927 NE ARG A 61 5.483 4.654 8.359 1.00 1.30 N ATOM 928 CZ ARG A 61 4.989 5.470 9.250 1.00 1.66 C ATOM 929 NH1 ARG A 61 4.344 6.539 8.869 1.00 2.21 N ATOM 930 NH2 ARG A 61 5.141 5.219 10.521 1.00 2.19 N ATOM 0 H ARG A 61 5.792 4.398 2.180 1.00 0.45 H new ATOM 0 HA ARG A 61 5.686 2.885 4.793 1.00 0.45 H new ATOM 0 HB2 ARG A 61 4.782 5.650 4.008 1.00 0.51 H new ATOM 0 HB3 ARG A 61 3.591 4.691 4.864 1.00 0.51 H new ATOM 0 HG2 ARG A 61 6.429 4.773 5.928 1.00 0.75 H new ATOM 0 HG3 ARG A 61 5.383 6.149 6.217 1.00 0.75 H new ATOM 0 HD2 ARG A 61 3.656 4.622 7.244 1.00 0.97 H new ATOM 0 HD3 ARG A 61 4.698 3.244 6.951 1.00 0.97 H new ATOM 0 HE ARG A 61 6.408 4.246 8.498 1.00 1.30 H new ATOM 0 HH11 ARG A 61 4.226 6.736 7.875 1.00 2.21 H new ATOM 0 HH12 ARG A 61 3.958 7.177 9.565 1.00 2.21 H new ATOM 0 HH21 ARG A 61 5.646 4.385 10.819 1.00 2.19 H new ATOM 0 HH22 ARG A 61 4.755 5.857 11.217 1.00 2.19 H new ATOM 944 N LEU A 62 3.767 1.599 3.970 1.00 0.35 N ATOM 945 CA LEU A 62 2.707 0.741 3.365 1.00 0.36 C ATOM 946 C LEU A 62 1.336 1.064 3.968 1.00 0.32 C ATOM 947 O LEU A 62 1.219 1.356 5.142 1.00 0.38 O ATOM 948 CB LEU A 62 3.092 -0.707 3.713 1.00 0.48 C ATOM 949 CG LEU A 62 4.453 -1.104 3.108 1.00 0.73 C ATOM 950 CD1 LEU A 62 4.554 -0.653 1.649 1.00 1.59 C ATOM 951 CD2 LEU A 62 5.585 -0.471 3.918 1.00 1.22 C ATOM 0 H LEU A 62 4.166 1.247 4.840 1.00 0.35 H new ATOM 0 HA LEU A 62 2.638 0.904 2.289 1.00 0.36 H new ATOM 0 HB2 LEU A 62 3.130 -0.822 4.796 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.321 -1.385 3.347 1.00 0.48 H new ATOM 0 HG LEU A 62 4.539 -2.190 3.143 1.00 0.73 H new ATOM 0 HD11 LEU A 62 5.523 -0.945 1.244 1.00 1.59 H new ATOM 0 HD12 LEU A 62 3.761 -1.123 1.067 1.00 1.59 H new ATOM 0 HD13 LEU A 62 4.449 0.431 1.595 1.00 1.59 H new ATOM 0 HD21 LEU A 62 6.545 -0.755 3.486 1.00 1.22 H new ATOM 0 HD22 LEU A 62 5.485 0.614 3.897 1.00 1.22 H new ATOM 0 HD23 LEU A 62 5.534 -0.820 4.949 1.00 1.22 H new ATOM 963 N ALA A 63 0.292 0.998 3.181 1.00 0.30 N ATOM 964 CA ALA A 63 -1.067 1.283 3.734 1.00 0.32 C ATOM 965 C ALA A 63 -2.109 0.366 3.079 1.00 0.31 C ATOM 966 O ALA A 63 -1.937 -0.091 1.965 1.00 0.37 O ATOM 967 CB ALA A 63 -1.343 2.747 3.388 1.00 0.37 C ATOM 0 H ALA A 63 0.320 0.762 2.189 1.00 0.30 H new ATOM 0 HA ALA A 63 -1.119 1.105 4.808 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.326 3.030 3.763 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.583 3.379 3.848 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.316 2.876 2.306 1.00 0.37 H new ATOM 973 N LYS A 64 -3.189 0.086 3.761 1.00 0.30 N ATOM 974 CA LYS A 64 -4.231 -0.808 3.166 1.00 0.32 C ATOM 975 C LYS A 64 -5.623 -0.193 3.296 1.00 0.32 C ATOM 976 O LYS A 64 -5.815 0.821 3.936 1.00 0.40 O ATOM 977 CB LYS A 64 -4.171 -2.122 3.952 1.00 0.38 C ATOM 978 CG LYS A 64 -4.118 -1.841 5.460 1.00 1.39 C ATOM 979 CD LYS A 64 -4.807 -2.977 6.219 1.00 1.60 C ATOM 980 CE LYS A 64 -3.751 -3.941 6.765 1.00 2.04 C ATOM 981 NZ LYS A 64 -4.516 -4.910 7.601 1.00 2.26 N ATOM 0 H LYS A 64 -3.395 0.434 4.697 1.00 0.30 H new ATOM 0 HA LYS A 64 -4.043 -0.960 2.103 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -5.044 -2.732 3.720 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -3.293 -2.694 3.651 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -3.082 -1.748 5.786 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -4.608 -0.893 5.681 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -5.403 -2.573 7.037 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -5.492 -3.508 5.557 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -3.222 -4.447 5.957 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -3.002 -3.414 7.356 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -3.854 -5.554 8.080 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -5.071 -4.392 8.312 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -5.157 -5.461 6.995 1.00 2.26 H new ATOM 995 N VAL A 65 -6.594 -0.815 2.691 1.00 0.30 N ATOM 996 CA VAL A 65 -7.987 -0.287 2.771 1.00 0.32 C ATOM 997 C VAL A 65 -8.990 -1.442 2.810 1.00 0.31 C ATOM 998 O VAL A 65 -8.775 -2.485 2.225 1.00 0.36 O ATOM 999 CB VAL A 65 -8.178 0.537 1.496 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.624 1.038 1.424 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -7.223 1.731 1.515 1.00 0.70 C ATOM 0 H VAL A 65 -6.485 -1.668 2.143 1.00 0.30 H new ATOM 0 HA VAL A 65 -8.147 0.308 3.670 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.966 -0.084 0.625 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.761 1.625 0.516 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -10.304 0.186 1.411 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.837 1.660 2.294 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -7.358 2.319 0.607 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -7.435 2.353 2.385 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -6.195 1.374 1.566 1.00 0.70 H new ATOM 1011 N ASP A 66 -10.089 -1.258 3.485 1.00 0.35 N ATOM 1012 CA ASP A 66 -11.110 -2.340 3.552 1.00 0.39 C ATOM 1013 C ASP A 66 -12.279 -2.007 2.621 1.00 0.40 C ATOM 1014 O ASP A 66 -13.149 -1.228 2.955 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.570 -2.366 5.009 1.00 0.47 C ATOM 1016 CG ASP A 66 -11.778 -3.815 5.453 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -10.976 -4.651 5.072 1.00 1.38 O ATOM 1018 OD2 ASP A 66 -12.736 -4.064 6.168 1.00 1.30 O ATOM 0 H ASP A 66 -10.325 -0.406 3.993 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.715 -3.306 3.239 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -10.828 -1.883 5.644 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.498 -1.804 5.119 1.00 0.47 H new ATOM 1023 N ALA A 67 -12.300 -2.588 1.452 1.00 0.40 N ATOM 1024 CA ALA A 67 -13.407 -2.308 0.488 1.00 0.46 C ATOM 1025 C ALA A 67 -14.770 -2.415 1.179 1.00 0.51 C ATOM 1026 O ALA A 67 -15.738 -1.810 0.761 1.00 0.57 O ATOM 1027 CB ALA A 67 -13.269 -3.382 -0.590 1.00 0.51 C ATOM 0 H ALA A 67 -11.596 -3.247 1.120 1.00 0.40 H new ATOM 0 HA ALA A 67 -13.345 -1.300 0.078 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -14.048 -3.247 -1.340 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -12.291 -3.298 -1.064 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -13.369 -4.368 -0.136 1.00 0.51 H new ATOM 1033 N THR A 68 -14.854 -3.177 2.235 1.00 0.53 N ATOM 1034 CA THR A 68 -16.154 -3.319 2.949 1.00 0.62 C ATOM 1035 C THR A 68 -16.308 -2.218 4.003 1.00 0.64 C ATOM 1036 O THR A 68 -17.391 -1.962 4.491 1.00 0.86 O ATOM 1037 CB THR A 68 -16.093 -4.695 3.617 1.00 0.66 C ATOM 1038 OG1 THR A 68 -14.992 -4.735 4.514 1.00 1.29 O ATOM 1039 CG2 THR A 68 -15.925 -5.775 2.549 1.00 1.35 C ATOM 0 H THR A 68 -14.079 -3.707 2.634 1.00 0.53 H new ATOM 0 HA THR A 68 -17.004 -3.230 2.273 1.00 0.62 H new ATOM 0 HB THR A 68 -17.016 -4.874 4.168 1.00 0.66 H new ATOM 0 HG1 THR A 68 -15.125 -5.457 5.163 1.00 1.29 H new ATOM 0 HG21 THR A 68 -15.882 -6.754 3.026 1.00 1.35 H new ATOM 0 HG22 THR A 68 -16.771 -5.743 1.863 1.00 1.35 H new ATOM 0 HG23 THR A 68 -15.002 -5.599 1.996 1.00 1.35 H new ATOM 1047 N GLU A 69 -15.235 -1.564 4.362 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.331 -0.484 5.386 1.00 0.61 C ATOM 1049 C GLU A 69 -15.016 0.878 4.758 1.00 0.57 C ATOM 1050 O GLU A 69 -15.789 1.810 4.859 1.00 0.66 O ATOM 1051 CB GLU A 69 -14.283 -0.846 6.438 1.00 0.63 C ATOM 1052 CG GLU A 69 -14.842 -0.559 7.833 1.00 0.83 C ATOM 1053 CD GLU A 69 -14.590 0.907 8.191 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -13.537 1.189 8.739 1.00 2.22 O ATOM 1055 OE2 GLU A 69 -15.452 1.722 7.911 1.00 2.10 O ATOM 0 H GLU A 69 -14.299 -1.731 3.992 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.331 -0.408 5.813 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -14.014 -1.899 6.352 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -13.373 -0.270 6.273 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -15.911 -0.773 7.859 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -14.369 -1.211 8.567 1.00 0.83 H new ATOM 1062 N GLU A 70 -13.888 1.003 4.113 1.00 0.52 N ATOM 1063 CA GLU A 70 -13.531 2.307 3.486 1.00 0.57 C ATOM 1064 C GLU A 70 -13.710 2.234 1.968 1.00 0.72 C ATOM 1065 O GLU A 70 -12.830 2.596 1.211 1.00 1.34 O ATOM 1066 CB GLU A 70 -12.062 2.527 3.846 1.00 0.71 C ATOM 1067 CG GLU A 70 -11.905 2.514 5.368 1.00 1.05 C ATOM 1068 CD GLU A 70 -10.966 1.378 5.774 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -11.327 0.234 5.563 1.00 1.89 O ATOM 1070 OE2 GLU A 70 -9.900 1.672 6.290 1.00 1.97 O ATOM 0 H GLU A 70 -13.200 0.260 3.993 1.00 0.52 H new ATOM 0 HA GLU A 70 -14.164 3.122 3.837 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -11.446 1.747 3.399 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -11.715 3.478 3.442 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -11.507 3.469 5.711 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -12.877 2.384 5.843 1.00 1.05 H new ATOM 1077 N SER A 71 -14.843 1.770 1.517 1.00 0.55 N ATOM 1078 CA SER A 71 -15.077 1.677 0.047 1.00 0.66 C ATOM 1079 C SER A 71 -15.221 3.078 -0.556 1.00 0.70 C ATOM 1080 O SER A 71 -15.058 3.272 -1.745 1.00 0.94 O ATOM 1081 CB SER A 71 -16.382 0.894 -0.096 1.00 0.79 C ATOM 1082 OG SER A 71 -16.218 -0.113 -1.086 1.00 1.48 O ATOM 0 H SER A 71 -15.616 1.452 2.101 1.00 0.55 H new ATOM 0 HA SER A 71 -14.251 1.192 -0.474 1.00 0.66 H new ATOM 0 HB2 SER A 71 -16.655 0.442 0.858 1.00 0.79 H new ATOM 0 HB3 SER A 71 -17.194 1.566 -0.375 1.00 0.79 H new ATOM 0 HG SER A 71 -15.748 -0.880 -0.697 1.00 1.48 H new ATOM 1088 N ASP A 72 -15.523 4.058 0.253 1.00 0.67 N ATOM 1089 CA ASP A 72 -15.676 5.444 -0.276 1.00 0.71 C ATOM 1090 C ASP A 72 -14.423 5.853 -1.057 1.00 0.68 C ATOM 1091 O ASP A 72 -14.463 6.730 -1.897 1.00 0.77 O ATOM 1092 CB ASP A 72 -15.850 6.324 0.961 1.00 0.78 C ATOM 1093 CG ASP A 72 -17.313 6.760 1.074 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -17.815 7.331 0.119 1.00 1.83 O ATOM 1095 OD2 ASP A 72 -17.905 6.515 2.112 1.00 1.57 O ATOM 0 H ASP A 72 -15.670 3.959 1.257 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.519 5.534 -0.960 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -15.552 5.776 1.855 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -15.203 7.198 0.893 1.00 0.78 H new ATOM 1100 N LEU A 73 -13.313 5.220 -0.793 1.00 0.63 N ATOM 1101 CA LEU A 73 -12.064 5.568 -1.529 1.00 0.68 C ATOM 1102 C LEU A 73 -11.860 4.585 -2.681 1.00 0.60 C ATOM 1103 O LEU A 73 -11.210 4.883 -3.663 1.00 0.64 O ATOM 1104 CB LEU A 73 -10.939 5.434 -0.499 1.00 0.83 C ATOM 1105 CG LEU A 73 -11.223 6.347 0.696 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -10.917 5.600 1.996 1.00 1.22 C ATOM 1107 CD2 LEU A 73 -10.340 7.593 0.608 1.00 0.97 C ATOM 0 H LEU A 73 -13.217 4.478 -0.100 1.00 0.63 H new ATOM 0 HA LEU A 73 -12.096 6.570 -1.958 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -10.858 4.399 -0.167 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -9.984 5.699 -0.953 1.00 0.83 H new ATOM 0 HG LEU A 73 -12.272 6.641 0.684 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -11.120 6.251 2.846 1.00 1.22 H new ATOM 0 HD12 LEU A 73 -11.545 4.712 2.062 1.00 1.22 H new ATOM 0 HD13 LEU A 73 -9.868 5.304 2.007 1.00 1.22 H new ATOM 0 HD21 LEU A 73 -10.542 8.243 1.459 1.00 0.97 H new ATOM 0 HD22 LEU A 73 -9.291 7.297 0.619 1.00 0.97 H new ATOM 0 HD23 LEU A 73 -10.557 8.128 -0.317 1.00 0.97 H new ATOM 1119 N ALA A 74 -12.422 3.413 -2.567 1.00 0.57 N ATOM 1120 CA ALA A 74 -12.277 2.402 -3.649 1.00 0.56 C ATOM 1121 C ALA A 74 -13.128 2.806 -4.854 1.00 0.59 C ATOM 1122 O ALA A 74 -12.702 2.708 -5.988 1.00 0.65 O ATOM 1123 CB ALA A 74 -12.794 1.102 -3.033 1.00 0.60 C ATOM 0 H ALA A 74 -12.978 3.112 -1.766 1.00 0.57 H new ATOM 0 HA ALA A 74 -11.251 2.306 -4.003 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -12.723 0.299 -3.766 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -12.194 0.850 -2.159 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -13.834 1.230 -2.734 1.00 0.60 H new ATOM 1129 N GLN A 75 -14.325 3.266 -4.614 1.00 0.64 N ATOM 1130 CA GLN A 75 -15.200 3.686 -5.744 1.00 0.76 C ATOM 1131 C GLN A 75 -14.524 4.810 -6.530 1.00 0.78 C ATOM 1132 O GLN A 75 -14.677 4.925 -7.729 1.00 0.86 O ATOM 1133 CB GLN A 75 -16.485 4.188 -5.084 1.00 0.87 C ATOM 1134 CG GLN A 75 -17.548 3.089 -5.136 1.00 1.42 C ATOM 1135 CD GLN A 75 -18.812 3.632 -5.808 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -18.807 3.933 -6.985 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -19.903 3.770 -5.105 1.00 2.40 N ATOM 0 H GLN A 75 -14.734 3.369 -3.685 1.00 0.64 H new ATOM 0 HA GLN A 75 -15.396 2.875 -6.446 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -16.289 4.470 -4.050 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -16.844 5.081 -5.596 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -17.170 2.229 -5.689 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -17.779 2.744 -4.128 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -19.908 3.518 -4.117 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -20.750 4.130 -5.544 1.00 2.40 H new ATOM 1146 N GLN A 76 -13.771 5.638 -5.858 1.00 0.76 N ATOM 1147 CA GLN A 76 -13.078 6.753 -6.563 1.00 0.84 C ATOM 1148 C GLN A 76 -12.163 6.194 -7.653 1.00 0.83 C ATOM 1149 O GLN A 76 -12.012 6.774 -8.710 1.00 0.94 O ATOM 1150 CB GLN A 76 -12.257 7.452 -5.480 1.00 0.89 C ATOM 1151 CG GLN A 76 -13.060 8.620 -4.903 1.00 1.14 C ATOM 1152 CD GLN A 76 -13.206 9.712 -5.965 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -14.191 9.754 -6.677 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -12.264 10.602 -6.103 1.00 1.97 N ATOM 0 H GLN A 76 -13.606 5.590 -4.853 1.00 0.76 H new ATOM 0 HA GLN A 76 -13.775 7.435 -7.050 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -12.003 6.746 -4.689 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -11.318 7.814 -5.898 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -14.043 8.276 -4.582 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -12.559 9.020 -4.021 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -11.438 10.567 -5.506 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -12.353 11.334 -6.808 1.00 1.97 H new ATOM 1163 N TYR A 77 -11.552 5.071 -7.402 1.00 0.74 N ATOM 1164 CA TYR A 77 -10.648 4.468 -8.418 1.00 0.81 C ATOM 1165 C TYR A 77 -11.412 3.447 -9.259 1.00 0.83 C ATOM 1166 O TYR A 77 -11.359 3.458 -10.472 1.00 1.00 O ATOM 1167 CB TYR A 77 -9.550 3.786 -7.604 1.00 0.80 C ATOM 1168 CG TYR A 77 -8.719 4.834 -6.903 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -8.151 5.884 -7.636 1.00 1.42 C ATOM 1170 CD2 TYR A 77 -8.514 4.756 -5.522 1.00 1.18 C ATOM 1171 CE1 TYR A 77 -7.381 6.855 -6.986 1.00 1.56 C ATOM 1172 CE2 TYR A 77 -7.743 5.727 -4.871 1.00 1.19 C ATOM 1173 CZ TYR A 77 -7.183 6.782 -5.605 1.00 1.05 C ATOM 1174 OH TYR A 77 -6.415 7.732 -4.963 1.00 1.22 O ATOM 0 H TYR A 77 -11.640 4.543 -6.534 1.00 0.74 H new ATOM 0 HA TYR A 77 -10.243 5.206 -9.110 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -9.992 3.108 -6.874 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -8.919 3.183 -8.257 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -8.307 5.944 -8.703 1.00 1.42 H new ATOM 0 HD2 TYR A 77 -8.951 3.946 -4.957 1.00 1.18 H new ATOM 0 HE1 TYR A 77 -6.939 7.662 -7.552 1.00 1.56 H new ATOM 0 HE2 TYR A 77 -7.580 5.663 -3.805 1.00 1.19 H new ATOM 0 HH TYR A 77 -5.468 7.488 -5.031 1.00 1.22 H new ATOM 1184 N GLY A 78 -12.121 2.563 -8.618 1.00 0.78 N ATOM 1185 CA GLY A 78 -12.891 1.534 -9.370 1.00 0.87 C ATOM 1186 C GLY A 78 -12.580 0.158 -8.785 1.00 0.88 C ATOM 1187 O GLY A 78 -13.462 -0.566 -8.374 1.00 1.52 O ATOM 0 H GLY A 78 -12.201 2.508 -7.603 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -13.959 1.739 -9.303 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -12.626 1.563 -10.427 1.00 0.87 H new ATOM 1191 N VAL A 79 -11.325 -0.199 -8.736 1.00 0.80 N ATOM 1192 CA VAL A 79 -10.943 -1.525 -8.166 1.00 0.79 C ATOM 1193 C VAL A 79 -11.697 -2.650 -8.885 1.00 1.13 C ATOM 1194 O VAL A 79 -12.861 -2.891 -8.634 1.00 1.54 O ATOM 1195 CB VAL A 79 -11.349 -1.457 -6.690 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -10.828 -2.694 -5.962 1.00 1.30 C ATOM 1197 CG2 VAL A 79 -10.750 -0.202 -6.044 1.00 0.72 C ATOM 0 H VAL A 79 -10.546 0.371 -9.066 1.00 0.80 H new ATOM 0 HA VAL A 79 -9.880 -1.734 -8.284 1.00 0.79 H new ATOM 0 HB VAL A 79 -12.436 -1.418 -6.619 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -11.116 -2.647 -4.912 1.00 1.30 H new ATOM 0 HG12 VAL A 79 -11.254 -3.589 -6.415 1.00 1.30 H new ATOM 0 HG13 VAL A 79 -9.741 -2.731 -6.039 1.00 1.30 H new ATOM 0 HG21 VAL A 79 -11.042 -0.158 -4.995 1.00 0.72 H new ATOM 0 HG22 VAL A 79 -9.663 -0.239 -6.117 1.00 0.72 H new ATOM 0 HG23 VAL A 79 -11.119 0.684 -6.560 1.00 0.72 H new ATOM 1207 N ARG A 80 -11.042 -3.339 -9.779 1.00 1.27 N ATOM 1208 CA ARG A 80 -11.706 -4.438 -10.515 1.00 1.72 C ATOM 1209 C ARG A 80 -11.562 -5.749 -9.729 1.00 1.38 C ATOM 1210 O ARG A 80 -10.993 -6.715 -10.196 1.00 1.87 O ATOM 1211 CB ARG A 80 -10.950 -4.482 -11.845 1.00 2.38 C ATOM 1212 CG ARG A 80 -11.340 -5.728 -12.624 1.00 2.85 C ATOM 1213 CD ARG A 80 -11.622 -5.361 -14.083 1.00 3.49 C ATOM 1214 NE ARG A 80 -11.889 -6.658 -14.763 1.00 4.06 N ATOM 1215 CZ ARG A 80 -11.652 -6.786 -16.040 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -12.354 -6.105 -16.905 1.00 5.09 N ATOM 1217 NH2 ARG A 80 -10.714 -7.595 -16.453 1.00 5.25 N ATOM 0 H ARG A 80 -10.066 -3.182 -10.029 1.00 1.27 H new ATOM 0 HA ARG A 80 -12.777 -4.293 -10.660 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -11.176 -3.591 -12.431 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -9.875 -4.479 -11.662 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -10.539 -6.465 -12.573 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -12.223 -6.186 -12.177 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -12.478 -4.690 -14.163 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -10.772 -4.848 -14.532 1.00 3.49 H new ATOM 0 HE ARG A 80 -12.257 -7.447 -14.231 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -13.087 -5.473 -16.583 1.00 5.09 H new ATOM 0 HH12 ARG A 80 -12.169 -6.205 -17.903 1.00 5.09 H new ATOM 0 HH21 ARG A 80 -10.166 -8.128 -15.777 1.00 5.25 H new ATOM 0 HH22 ARG A 80 -10.529 -7.694 -17.451 1.00 5.25 H new ATOM 1231 N GLY A 81 -12.078 -5.786 -8.532 1.00 0.87 N ATOM 1232 CA GLY A 81 -11.975 -7.029 -7.715 1.00 0.81 C ATOM 1233 C GLY A 81 -10.831 -6.893 -6.708 1.00 0.74 C ATOM 1234 O GLY A 81 -10.066 -5.950 -6.746 1.00 1.17 O ATOM 0 H GLY A 81 -12.566 -5.011 -8.084 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -12.914 -7.210 -7.191 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -11.801 -7.888 -8.363 1.00 0.81 H new ATOM 1238 N TYR A 82 -10.709 -7.830 -5.808 1.00 0.61 N ATOM 1239 CA TYR A 82 -9.614 -7.757 -4.795 1.00 0.52 C ATOM 1240 C TYR A 82 -8.665 -8.957 -4.965 1.00 0.54 C ATOM 1241 O TYR A 82 -9.059 -9.969 -5.508 1.00 0.61 O ATOM 1242 CB TYR A 82 -10.304 -7.828 -3.424 1.00 0.59 C ATOM 1243 CG TYR A 82 -11.479 -6.873 -3.368 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -11.368 -5.602 -3.943 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -12.672 -7.257 -2.743 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -12.448 -4.714 -3.895 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -13.753 -6.368 -2.695 1.00 1.04 C ATOM 1248 CZ TYR A 82 -13.660 -5.121 -3.259 1.00 0.75 C ATOM 1249 OH TYR A 82 -14.705 -4.220 -3.222 1.00 0.85 O ATOM 0 H TYR A 82 -11.319 -8.643 -5.729 1.00 0.61 H new ATOM 0 HA TYR A 82 -9.025 -6.846 -4.903 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -10.646 -8.846 -3.235 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -9.590 -7.581 -2.638 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -10.448 -5.306 -4.424 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -12.758 -8.238 -2.299 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -12.366 -3.731 -4.334 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -14.670 -6.667 -2.209 1.00 1.04 H new ATOM 0 HH TYR A 82 -15.470 -4.625 -2.762 1.00 0.85 H new ATOM 1259 N PRO A 83 -7.436 -8.821 -4.496 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.958 -7.586 -3.833 1.00 0.51 C ATOM 1261 C PRO A 83 -6.313 -6.648 -4.860 1.00 0.51 C ATOM 1262 O PRO A 83 -5.521 -7.067 -5.680 1.00 0.63 O ATOM 1263 CB PRO A 83 -5.911 -8.109 -2.858 1.00 0.59 C ATOM 1264 CG PRO A 83 -5.428 -9.412 -3.437 1.00 0.66 C ATOM 1265 CD PRO A 83 -6.376 -9.825 -4.543 1.00 0.64 C ATOM 0 HA PRO A 83 -7.751 -7.015 -3.351 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -5.090 -7.401 -2.749 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -6.339 -8.256 -1.866 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -4.416 -9.302 -3.827 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -5.390 -10.179 -2.664 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -5.878 -9.834 -5.512 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -6.769 -10.828 -4.377 1.00 0.64 H new ATOM 1273 N THR A 84 -6.642 -5.386 -4.824 1.00 0.45 N ATOM 1274 CA THR A 84 -6.039 -4.435 -5.800 1.00 0.45 C ATOM 1275 C THR A 84 -5.001 -3.550 -5.103 1.00 0.43 C ATOM 1276 O THR A 84 -5.334 -2.573 -4.462 1.00 0.52 O ATOM 1277 CB THR A 84 -7.211 -3.594 -6.308 1.00 0.48 C ATOM 1278 OG1 THR A 84 -8.166 -4.445 -6.928 1.00 0.67 O ATOM 1279 CG2 THR A 84 -6.706 -2.566 -7.321 1.00 0.56 C ATOM 0 H THR A 84 -7.300 -4.973 -4.163 1.00 0.45 H new ATOM 0 HA THR A 84 -5.523 -4.946 -6.613 1.00 0.45 H new ATOM 0 HB THR A 84 -7.675 -3.074 -5.470 1.00 0.48 H new ATOM 0 HG1 THR A 84 -8.754 -4.830 -6.245 1.00 0.67 H new ATOM 0 HG21 THR A 84 -7.543 -1.968 -7.681 1.00 0.56 H new ATOM 0 HG22 THR A 84 -5.974 -1.914 -6.844 1.00 0.56 H new ATOM 0 HG23 THR A 84 -6.240 -3.081 -8.161 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.744 -3.886 -5.221 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.687 -3.063 -4.563 1.00 0.41 C ATOM 1289 C ILE A 85 -2.346 -1.849 -5.430 1.00 0.41 C ATOM 1290 O ILE A 85 -2.297 -1.933 -6.640 1.00 0.54 O ATOM 1291 CB ILE A 85 -1.476 -3.990 -4.442 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.851 -5.211 -3.600 1.00 0.89 C ATOM 1293 CG2 ILE A 85 -0.324 -3.243 -3.768 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -1.334 -6.479 -4.281 1.00 1.27 C ATOM 0 H ILE A 85 -3.404 -4.693 -5.743 1.00 0.41 H new ATOM 0 HA ILE A 85 -3.007 -2.683 -3.593 1.00 0.41 H new ATOM 0 HB ILE A 85 -1.167 -4.313 -5.436 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -1.424 -5.122 -2.601 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -2.933 -5.265 -3.480 1.00 0.89 H new ATOM 0 HG21 ILE A 85 0.538 -3.905 -3.682 1.00 0.80 H new ATOM 0 HG22 ILE A 85 -0.055 -2.372 -4.366 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.633 -2.919 -2.774 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -1.601 -7.349 -3.681 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -1.782 -6.569 -5.271 1.00 1.27 H new ATOM 0 HD13 ILE A 85 -0.250 -6.424 -4.377 1.00 1.27 H new ATOM 1306 N LYS A 86 -2.111 -0.718 -4.822 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.774 0.498 -5.619 1.00 0.40 C ATOM 1308 C LYS A 86 -0.705 1.329 -4.901 1.00 0.38 C ATOM 1309 O LYS A 86 -0.619 1.336 -3.690 1.00 0.49 O ATOM 1310 CB LYS A 86 -3.084 1.280 -5.721 1.00 0.48 C ATOM 1311 CG LYS A 86 -3.459 1.455 -7.194 1.00 0.94 C ATOM 1312 CD LYS A 86 -4.945 1.806 -7.303 1.00 1.03 C ATOM 1313 CE LYS A 86 -5.769 0.519 -7.362 1.00 1.37 C ATOM 1314 NZ LYS A 86 -7.149 0.966 -7.707 1.00 1.73 N ATOM 0 H LYS A 86 -2.137 -0.583 -3.811 1.00 0.37 H new ATOM 0 HA LYS A 86 -1.370 0.248 -6.600 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -3.878 0.752 -5.193 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.977 2.254 -5.244 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -2.854 2.243 -7.643 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -3.249 0.538 -7.745 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -5.251 2.408 -6.447 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -5.124 2.406 -8.195 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -5.377 -0.168 -8.112 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -5.750 -0.007 -6.407 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -7.816 0.183 -7.552 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -7.414 1.771 -7.104 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -7.181 1.256 -8.705 1.00 1.73 H new ATOM 1328 N PHE A 87 0.109 2.030 -5.643 1.00 0.37 N ATOM 1329 CA PHE A 87 1.173 2.862 -5.009 1.00 0.36 C ATOM 1330 C PHE A 87 0.960 4.341 -5.350 1.00 0.33 C ATOM 1331 O PHE A 87 0.882 4.716 -6.502 1.00 0.37 O ATOM 1332 CB PHE A 87 2.487 2.347 -5.612 1.00 0.42 C ATOM 1333 CG PHE A 87 3.648 3.246 -5.220 1.00 0.46 C ATOM 1334 CD1 PHE A 87 3.662 3.895 -3.975 1.00 0.44 C ATOM 1335 CD2 PHE A 87 4.716 3.423 -6.109 1.00 0.81 C ATOM 1336 CE1 PHE A 87 4.740 4.715 -3.624 1.00 0.46 C ATOM 1337 CE2 PHE A 87 5.794 4.245 -5.756 1.00 0.97 C ATOM 1338 CZ PHE A 87 5.806 4.891 -4.515 1.00 0.72 C ATOM 0 H PHE A 87 0.083 2.063 -6.662 1.00 0.37 H new ATOM 0 HA PHE A 87 1.169 2.787 -3.922 1.00 0.36 H new ATOM 0 HB2 PHE A 87 2.676 1.330 -5.269 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.403 2.306 -6.698 1.00 0.42 H new ATOM 0 HD1 PHE A 87 2.840 3.761 -3.288 1.00 0.44 H new ATOM 0 HD2 PHE A 87 4.708 2.925 -7.067 1.00 0.81 H new ATOM 0 HE1 PHE A 87 4.750 5.212 -2.665 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.617 4.380 -6.443 1.00 0.97 H new ATOM 0 HZ PHE A 87 6.637 5.525 -4.244 1.00 0.72 H new ATOM 1348 N PHE A 88 0.864 5.182 -4.356 1.00 0.33 N ATOM 1349 CA PHE A 88 0.656 6.630 -4.623 1.00 0.35 C ATOM 1350 C PHE A 88 1.912 7.423 -4.250 1.00 0.42 C ATOM 1351 O PHE A 88 2.558 7.151 -3.257 1.00 0.61 O ATOM 1352 CB PHE A 88 -0.516 7.026 -3.729 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.809 6.578 -4.368 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -2.409 7.366 -5.357 1.00 0.54 C ATOM 1355 CD2 PHE A 88 -2.407 5.376 -3.972 1.00 0.63 C ATOM 1356 CE1 PHE A 88 -3.608 6.951 -5.950 1.00 0.62 C ATOM 1357 CE2 PHE A 88 -3.604 4.961 -4.565 1.00 0.73 C ATOM 1358 CZ PHE A 88 -4.205 5.748 -5.554 1.00 0.62 C ATOM 0 H PHE A 88 0.921 4.926 -3.370 1.00 0.33 H new ATOM 0 HA PHE A 88 0.456 6.835 -5.675 1.00 0.35 H new ATOM 0 HB2 PHE A 88 -0.407 6.570 -2.745 1.00 0.39 H new ATOM 0 HB3 PHE A 88 -0.526 8.106 -3.581 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.948 8.293 -5.663 1.00 0.54 H new ATOM 0 HD2 PHE A 88 -1.944 4.769 -3.208 1.00 0.63 H new ATOM 0 HE1 PHE A 88 -4.072 7.559 -6.713 1.00 0.62 H new ATOM 0 HE2 PHE A 88 -4.064 4.033 -4.260 1.00 0.73 H new ATOM 0 HZ PHE A 88 -5.129 5.427 -6.012 1.00 0.62 H new ATOM 1368 N ARG A 89 2.261 8.404 -5.037 1.00 0.47 N ATOM 1369 CA ARG A 89 3.475 9.213 -4.724 1.00 0.55 C ATOM 1370 C ARG A 89 3.087 10.670 -4.460 1.00 0.64 C ATOM 1371 O ARG A 89 2.474 11.318 -5.284 1.00 1.05 O ATOM 1372 CB ARG A 89 4.352 9.109 -5.972 1.00 0.73 C ATOM 1373 CG ARG A 89 5.596 9.983 -5.797 1.00 1.15 C ATOM 1374 CD ARG A 89 6.421 9.962 -7.085 1.00 1.42 C ATOM 1375 NE ARG A 89 5.599 10.704 -8.081 1.00 1.73 N ATOM 1376 CZ ARG A 89 5.624 12.008 -8.106 1.00 2.07 C ATOM 1377 NH1 ARG A 89 6.763 12.641 -8.031 1.00 2.43 N ATOM 1378 NH2 ARG A 89 4.511 12.681 -8.204 1.00 2.56 N ATOM 0 H ARG A 89 1.760 8.680 -5.881 1.00 0.47 H new ATOM 0 HA ARG A 89 3.990 8.856 -3.832 1.00 0.55 H new ATOM 0 HB2 ARG A 89 4.644 8.072 -6.139 1.00 0.73 H new ATOM 0 HB3 ARG A 89 3.791 9.428 -6.851 1.00 0.73 H new ATOM 0 HG2 ARG A 89 5.304 11.005 -5.556 1.00 1.15 H new ATOM 0 HG3 ARG A 89 6.195 9.618 -4.963 1.00 1.15 H new ATOM 0 HD2 ARG A 89 7.391 10.438 -6.940 1.00 1.42 H new ATOM 0 HD3 ARG A 89 6.613 8.941 -7.414 1.00 1.42 H new ATOM 0 HE ARG A 89 5.016 10.192 -8.744 1.00 1.73 H new ATOM 0 HH11 ARG A 89 7.634 12.116 -7.953 1.00 2.43 H new ATOM 0 HH12 ARG A 89 6.782 13.661 -8.051 1.00 2.43 H new ATOM 0 HH21 ARG A 89 3.620 12.188 -8.261 1.00 2.56 H new ATOM 0 HH22 ARG A 89 4.532 13.701 -8.223 1.00 2.56 H new ATOM 1392 N ASN A 90 3.442 11.190 -3.317 1.00 0.57 N ATOM 1393 CA ASN A 90 3.097 12.607 -3.001 1.00 0.68 C ATOM 1394 C ASN A 90 1.601 12.854 -3.220 1.00 0.69 C ATOM 1395 O ASN A 90 1.186 13.940 -3.575 1.00 0.98 O ATOM 1396 CB ASN A 90 3.928 13.440 -3.977 1.00 0.87 C ATOM 1397 CG ASN A 90 3.691 14.927 -3.707 1.00 1.10 C ATOM 1398 OD1 ASN A 90 3.483 15.698 -4.624 1.00 1.65 O ATOM 1399 ND2 ASN A 90 3.716 15.368 -2.478 1.00 1.74 N ATOM 0 H ASN A 90 3.956 10.696 -2.588 1.00 0.57 H new ATOM 0 HA ASN A 90 3.308 12.862 -1.962 1.00 0.68 H new ATOM 0 HB2 ASN A 90 4.986 13.203 -3.865 1.00 0.87 H new ATOM 0 HB3 ASN A 90 3.654 13.198 -5.004 1.00 0.87 H new ATOM 0 HD21 ASN A 90 3.561 16.358 -2.288 1.00 1.74 H new ATOM 0 HD22 ASN A 90 3.890 14.722 -1.708 1.00 1.74 H new ATOM 1406 N GLY A 91 0.788 11.853 -3.012 1.00 0.65 N ATOM 1407 CA GLY A 91 -0.678 12.033 -3.210 1.00 0.75 C ATOM 1408 C GLY A 91 -0.964 12.280 -4.692 1.00 0.79 C ATOM 1409 O GLY A 91 -0.973 13.403 -5.155 1.00 1.19 O ATOM 0 H GLY A 91 1.076 10.921 -2.714 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -1.214 11.148 -2.868 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -1.036 12.873 -2.614 1.00 0.75 H new ATOM 1413 N ASP A 92 -1.194 11.237 -5.442 1.00 0.90 N ATOM 1414 CA ASP A 92 -1.477 11.411 -6.896 1.00 1.27 C ATOM 1415 C ASP A 92 -2.985 11.376 -7.149 1.00 1.14 C ATOM 1416 O ASP A 92 -3.513 12.166 -7.905 1.00 1.70 O ATOM 1417 CB ASP A 92 -0.791 10.227 -7.576 1.00 1.93 C ATOM 1418 CG ASP A 92 -0.331 10.640 -8.976 1.00 2.15 C ATOM 1419 OD1 ASP A 92 -1.146 10.595 -9.882 1.00 2.41 O ATOM 1420 OD2 ASP A 92 0.827 10.996 -9.116 1.00 2.68 O ATOM 0 H ASP A 92 -1.198 10.272 -5.111 1.00 0.90 H new ATOM 0 HA ASP A 92 -1.114 12.366 -7.277 1.00 1.27 H new ATOM 0 HB2 ASP A 92 0.063 9.898 -6.983 1.00 1.93 H new ATOM 0 HB3 ASP A 92 -1.478 9.383 -7.641 1.00 1.93 H new ATOM 1425 N THR A 93 -3.679 10.457 -6.523 1.00 0.96 N ATOM 1426 CA THR A 93 -5.161 10.349 -6.714 1.00 1.33 C ATOM 1427 C THR A 93 -5.530 10.458 -8.198 1.00 1.26 C ATOM 1428 O THR A 93 -6.451 11.157 -8.571 1.00 1.90 O ATOM 1429 CB THR A 93 -5.763 11.515 -5.920 1.00 1.74 C ATOM 1430 OG1 THR A 93 -5.405 12.746 -6.531 1.00 2.10 O ATOM 1431 CG2 THR A 93 -5.238 11.485 -4.482 1.00 1.92 C ATOM 0 H THR A 93 -3.280 9.771 -5.882 1.00 0.96 H new ATOM 0 HA THR A 93 -5.540 9.387 -6.370 1.00 1.33 H new ATOM 0 HB THR A 93 -6.849 11.419 -5.910 1.00 1.74 H new ATOM 0 HG1 THR A 93 -5.052 12.575 -7.429 1.00 2.10 H new ATOM 0 HG21 THR A 93 -5.668 12.315 -3.920 1.00 1.92 H new ATOM 0 HG22 THR A 93 -5.520 10.543 -4.011 1.00 1.92 H new ATOM 0 HG23 THR A 93 -4.152 11.576 -4.489 1.00 1.92 H new ATOM 1439 N ALA A 94 -4.816 9.770 -9.046 1.00 1.18 N ATOM 1440 CA ALA A 94 -5.122 9.831 -10.503 1.00 1.18 C ATOM 1441 C ALA A 94 -4.448 8.668 -11.233 1.00 1.14 C ATOM 1442 O ALA A 94 -5.074 7.680 -11.561 1.00 1.48 O ATOM 1443 CB ALA A 94 -4.543 11.166 -10.974 1.00 1.24 C ATOM 0 H ALA A 94 -4.033 9.168 -8.792 1.00 1.18 H new ATOM 0 HA ALA A 94 -6.191 9.756 -10.704 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -4.728 11.287 -12.041 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -5.019 11.981 -10.429 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -3.469 11.183 -10.788 1.00 1.24 H new ATOM 1449 N SER A 95 -3.176 8.782 -11.489 1.00 1.20 N ATOM 1450 CA SER A 95 -2.455 7.685 -12.199 1.00 1.22 C ATOM 1451 C SER A 95 -1.476 6.989 -11.244 1.00 0.98 C ATOM 1452 O SER A 95 -0.286 7.228 -11.301 1.00 0.98 O ATOM 1453 CB SER A 95 -1.697 8.380 -13.331 1.00 1.48 C ATOM 1454 OG SER A 95 -0.717 7.497 -13.857 1.00 2.01 O ATOM 0 H SER A 95 -2.602 9.587 -11.238 1.00 1.20 H new ATOM 0 HA SER A 95 -3.133 6.918 -12.572 1.00 1.22 H new ATOM 0 HB2 SER A 95 -2.390 8.680 -14.117 1.00 1.48 H new ATOM 0 HB3 SER A 95 -1.222 9.289 -12.961 1.00 1.48 H new ATOM 0 HG SER A 95 -0.113 7.213 -13.139 1.00 2.01 H new ATOM 1460 N PRO A 96 -2.008 6.147 -10.391 1.00 0.87 N ATOM 1461 CA PRO A 96 -1.157 5.418 -9.418 1.00 0.72 C ATOM 1462 C PRO A 96 -0.359 4.320 -10.127 1.00 0.65 C ATOM 1463 O PRO A 96 -0.773 3.794 -11.140 1.00 0.79 O ATOM 1464 CB PRO A 96 -2.160 4.813 -8.442 1.00 0.79 C ATOM 1465 CG PRO A 96 -3.435 4.699 -9.218 1.00 0.97 C ATOM 1466 CD PRO A 96 -3.431 5.798 -10.249 1.00 1.02 C ATOM 0 HA PRO A 96 -0.426 6.059 -8.925 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -1.826 3.838 -8.086 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -2.288 5.446 -7.564 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -3.507 3.723 -9.697 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -4.297 4.795 -8.558 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -3.855 5.460 -11.194 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -4.021 6.654 -9.922 1.00 1.02 H new ATOM 1474 N LYS A 97 0.784 3.972 -9.601 1.00 0.55 N ATOM 1475 CA LYS A 97 1.606 2.910 -10.245 1.00 0.57 C ATOM 1476 C LYS A 97 1.281 1.546 -9.630 1.00 0.53 C ATOM 1477 O LYS A 97 1.652 1.255 -8.509 1.00 0.89 O ATOM 1478 CB LYS A 97 3.051 3.304 -9.948 1.00 0.68 C ATOM 1479 CG LYS A 97 3.411 4.560 -10.744 1.00 0.85 C ATOM 1480 CD LYS A 97 4.476 4.217 -11.788 1.00 1.63 C ATOM 1481 CE LYS A 97 5.055 5.509 -12.368 1.00 2.05 C ATOM 1482 NZ LYS A 97 3.972 6.063 -13.228 1.00 2.61 N ATOM 0 H LYS A 97 1.183 4.377 -8.754 1.00 0.55 H new ATOM 0 HA LYS A 97 1.416 2.827 -11.315 1.00 0.57 H new ATOM 0 HB2 LYS A 97 3.177 3.488 -8.881 1.00 0.68 H new ATOM 0 HB3 LYS A 97 3.723 2.488 -10.212 1.00 0.68 H new ATOM 0 HG2 LYS A 97 2.523 4.960 -11.233 1.00 0.85 H new ATOM 0 HG3 LYS A 97 3.781 5.335 -10.073 1.00 0.85 H new ATOM 0 HD2 LYS A 97 5.268 3.623 -11.333 1.00 1.63 H new ATOM 0 HD3 LYS A 97 4.040 3.612 -12.583 1.00 1.63 H new ATOM 0 HE2 LYS A 97 5.329 6.208 -11.578 1.00 2.05 H new ATOM 0 HE3 LYS A 97 5.957 5.312 -12.947 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 4.358 6.819 -13.828 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 3.585 5.307 -13.829 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 3.216 6.450 -12.628 1.00 2.61 H new ATOM 1496 N GLU A 98 0.589 0.710 -10.353 1.00 0.51 N ATOM 1497 CA GLU A 98 0.238 -0.634 -9.812 1.00 0.48 C ATOM 1498 C GLU A 98 1.504 -1.375 -9.373 1.00 0.45 C ATOM 1499 O GLU A 98 2.602 -1.038 -9.768 1.00 0.61 O ATOM 1500 CB GLU A 98 -0.436 -1.362 -10.974 1.00 0.61 C ATOM 1501 CG GLU A 98 0.548 -1.482 -12.139 1.00 1.33 C ATOM 1502 CD GLU A 98 -0.134 -1.028 -13.432 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -0.613 0.093 -13.463 1.00 2.79 O ATOM 1504 OE2 GLU A 98 -0.165 -1.810 -14.368 1.00 2.61 O ATOM 0 H GLU A 98 0.251 0.899 -11.296 1.00 0.51 H new ATOM 0 HA GLU A 98 -0.411 -0.573 -8.938 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -0.763 -2.352 -10.656 1.00 0.61 H new ATOM 0 HB3 GLU A 98 -1.326 -0.819 -11.290 1.00 0.61 H new ATOM 0 HG2 GLU A 98 1.431 -0.872 -11.947 1.00 1.33 H new ATOM 0 HG3 GLU A 98 0.888 -2.513 -12.237 1.00 1.33 H new ATOM 1511 N TYR A 99 1.358 -2.385 -8.559 1.00 0.45 N ATOM 1512 CA TYR A 99 2.552 -3.149 -8.097 1.00 0.46 C ATOM 1513 C TYR A 99 2.661 -4.470 -8.867 1.00 0.53 C ATOM 1514 O TYR A 99 1.688 -5.170 -9.062 1.00 0.67 O ATOM 1515 CB TYR A 99 2.301 -3.404 -6.608 1.00 0.52 C ATOM 1516 CG TYR A 99 3.370 -4.319 -6.054 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.718 -3.957 -6.159 1.00 1.58 C ATOM 1518 CD2 TYR A 99 3.013 -5.525 -5.437 1.00 1.20 C ATOM 1519 CE1 TYR A 99 5.710 -4.799 -5.648 1.00 2.05 C ATOM 1520 CE2 TYR A 99 4.008 -6.369 -4.924 1.00 1.49 C ATOM 1521 CZ TYR A 99 5.342 -6.022 -5.030 1.00 1.70 C ATOM 1522 OH TYR A 99 6.336 -6.837 -4.525 1.00 2.27 O ATOM 0 H TYR A 99 0.464 -2.714 -8.194 1.00 0.45 H new ATOM 0 HA TYR A 99 3.485 -2.611 -8.264 1.00 0.46 H new ATOM 0 HB2 TYR A 99 2.301 -2.460 -6.064 1.00 0.52 H new ATOM 0 HB3 TYR A 99 1.318 -3.853 -6.468 1.00 0.52 H new ATOM 0 HD1 TYR A 99 4.992 -3.027 -6.635 1.00 1.58 H new ATOM 0 HD2 TYR A 99 1.973 -5.804 -5.357 1.00 1.20 H new ATOM 0 HE1 TYR A 99 6.751 -4.520 -5.723 1.00 2.05 H new ATOM 0 HE2 TYR A 99 3.731 -7.296 -4.443 1.00 1.49 H new ATOM 0 HH TYR A 99 5.935 -7.653 -4.159 1.00 2.27 H new ATOM 1532 N THR A 100 3.841 -4.812 -9.307 1.00 0.60 N ATOM 1533 CA THR A 100 4.016 -6.083 -10.065 1.00 0.72 C ATOM 1534 C THR A 100 5.447 -6.604 -9.901 1.00 0.83 C ATOM 1535 O THR A 100 6.347 -6.210 -10.616 1.00 1.71 O ATOM 1536 CB THR A 100 3.746 -5.710 -11.524 1.00 0.93 C ATOM 1537 OG1 THR A 100 4.619 -4.659 -11.912 1.00 1.36 O ATOM 1538 CG2 THR A 100 2.294 -5.251 -11.674 1.00 1.13 C ATOM 0 H THR A 100 4.692 -4.266 -9.174 1.00 0.60 H new ATOM 0 HA THR A 100 3.349 -6.870 -9.713 1.00 0.72 H new ATOM 0 HB THR A 100 3.918 -6.579 -12.159 1.00 0.93 H new ATOM 0 HG1 THR A 100 5.524 -4.848 -11.586 1.00 1.36 H new ATOM 0 HG21 THR A 100 2.102 -4.985 -12.714 1.00 1.13 H new ATOM 0 HG22 THR A 100 1.625 -6.058 -11.376 1.00 1.13 H new ATOM 0 HG23 THR A 100 2.120 -4.382 -11.039 1.00 1.13 H new ATOM 1546 N ALA A 101 5.667 -7.485 -8.962 1.00 0.83 N ATOM 1547 CA ALA A 101 7.041 -8.025 -8.756 1.00 1.01 C ATOM 1548 C ALA A 101 7.005 -9.553 -8.644 1.00 1.36 C ATOM 1549 O ALA A 101 7.252 -10.260 -9.600 1.00 1.98 O ATOM 1550 CB ALA A 101 7.521 -7.399 -7.446 1.00 0.87 C ATOM 0 H ALA A 101 4.956 -7.853 -8.330 1.00 0.83 H new ATOM 0 HA ALA A 101 7.704 -7.788 -9.588 1.00 1.01 H new ATOM 0 HB1 ALA A 101 8.529 -7.748 -7.224 1.00 0.87 H new ATOM 0 HB2 ALA A 101 7.526 -6.313 -7.542 1.00 0.87 H new ATOM 0 HB3 ALA A 101 6.850 -7.688 -6.637 1.00 0.87 H new ATOM 1556 N GLY A 102 6.704 -10.067 -7.483 1.00 1.17 N ATOM 1557 CA GLY A 102 6.656 -11.547 -7.313 1.00 1.71 C ATOM 1558 C GLY A 102 5.534 -11.918 -6.342 1.00 1.08 C ATOM 1559 O GLY A 102 4.379 -11.986 -6.711 1.00 1.27 O ATOM 0 H GLY A 102 6.489 -9.526 -6.645 1.00 1.17 H new ATOM 0 HA2 GLY A 102 6.490 -12.028 -8.277 1.00 1.71 H new ATOM 0 HA3 GLY A 102 7.612 -11.911 -6.936 1.00 1.71 H new ATOM 1563 N ARG A 103 5.866 -12.161 -5.103 1.00 0.90 N ATOM 1564 CA ARG A 103 4.817 -12.529 -4.108 1.00 1.11 C ATOM 1565 C ARG A 103 5.417 -12.585 -2.700 1.00 0.94 C ATOM 1566 O ARG A 103 5.065 -13.426 -1.897 1.00 1.04 O ATOM 1567 CB ARG A 103 4.330 -13.912 -4.542 1.00 1.71 C ATOM 1568 CG ARG A 103 2.861 -14.084 -4.149 1.00 2.44 C ATOM 1569 CD ARG A 103 1.974 -13.874 -5.377 1.00 3.16 C ATOM 1570 NE ARG A 103 0.756 -14.692 -5.116 1.00 3.73 N ATOM 1571 CZ ARG A 103 -0.292 -14.564 -5.884 1.00 4.34 C ATOM 1572 NH1 ARG A 103 -0.234 -14.934 -7.134 1.00 4.81 N ATOM 1573 NH2 ARG A 103 -1.397 -14.066 -5.401 1.00 4.84 N ATOM 0 H ARG A 103 6.817 -12.121 -4.737 1.00 0.90 H new ATOM 0 HA ARG A 103 4.005 -11.803 -4.075 1.00 1.11 H new ATOM 0 HB2 ARG A 103 4.445 -14.028 -5.620 1.00 1.71 H new ATOM 0 HB3 ARG A 103 4.936 -14.686 -4.072 1.00 1.71 H new ATOM 0 HG2 ARG A 103 2.699 -15.080 -3.736 1.00 2.44 H new ATOM 0 HG3 ARG A 103 2.596 -13.369 -3.370 1.00 2.44 H new ATOM 0 HD2 ARG A 103 1.722 -12.821 -5.507 1.00 3.16 H new ATOM 0 HD3 ARG A 103 2.478 -14.196 -6.288 1.00 3.16 H new ATOM 0 HE ARG A 103 0.741 -15.351 -4.338 1.00 3.73 H new ATOM 0 HH11 ARG A 103 0.630 -15.323 -7.511 1.00 4.81 H new ATOM 0 HH12 ARG A 103 -1.053 -14.834 -7.734 1.00 4.81 H new ATOM 0 HH21 ARG A 103 -1.442 -13.777 -4.424 1.00 4.84 H new ATOM 0 HH22 ARG A 103 -2.216 -13.966 -6.001 1.00 4.84 H new ATOM 1587 N GLU A 104 6.321 -11.693 -2.396 1.00 0.75 N ATOM 1588 CA GLU A 104 6.945 -11.690 -1.040 1.00 0.66 C ATOM 1589 C GLU A 104 7.303 -10.259 -0.627 1.00 0.56 C ATOM 1590 O GLU A 104 7.502 -9.394 -1.456 1.00 0.57 O ATOM 1591 CB GLU A 104 8.207 -12.545 -1.178 1.00 0.79 C ATOM 1592 CG GLU A 104 9.113 -11.956 -2.262 1.00 1.59 C ATOM 1593 CD GLU A 104 9.974 -13.068 -2.865 1.00 1.87 C ATOM 1594 OE1 GLU A 104 9.508 -14.194 -2.908 1.00 2.04 O ATOM 1595 OE2 GLU A 104 11.085 -12.774 -3.275 1.00 2.51 O ATOM 0 H GLU A 104 6.655 -10.965 -3.028 1.00 0.75 H new ATOM 0 HA GLU A 104 6.274 -12.082 -0.276 1.00 0.66 H new ATOM 0 HB2 GLU A 104 8.738 -12.582 -0.227 1.00 0.79 H new ATOM 0 HB3 GLU A 104 7.938 -13.570 -1.433 1.00 0.79 H new ATOM 0 HG2 GLU A 104 8.510 -11.486 -3.039 1.00 1.59 H new ATOM 0 HG3 GLU A 104 9.748 -11.179 -1.837 1.00 1.59 H new ATOM 1602 N ALA A 105 7.382 -10.002 0.652 1.00 0.50 N ATOM 1603 CA ALA A 105 7.723 -8.625 1.120 1.00 0.44 C ATOM 1604 C ALA A 105 8.980 -8.110 0.411 1.00 0.45 C ATOM 1605 O ALA A 105 9.085 -6.945 0.083 1.00 0.47 O ATOM 1606 CB ALA A 105 7.980 -8.772 2.620 1.00 0.47 C ATOM 0 H ALA A 105 7.225 -10.685 1.393 1.00 0.50 H new ATOM 0 HA ALA A 105 6.927 -7.911 0.905 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.238 -7.801 3.042 1.00 0.47 H new ATOM 0 HB2 ALA A 105 7.082 -9.152 3.107 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.803 -9.468 2.782 1.00 0.47 H new ATOM 1612 N ASP A 106 9.934 -8.967 0.175 1.00 0.51 N ATOM 1613 CA ASP A 106 11.182 -8.522 -0.509 1.00 0.56 C ATOM 1614 C ASP A 106 10.872 -8.036 -1.927 1.00 0.54 C ATOM 1615 O ASP A 106 11.582 -7.219 -2.479 1.00 0.64 O ATOM 1616 CB ASP A 106 12.076 -9.763 -0.549 1.00 0.67 C ATOM 1617 CG ASP A 106 11.310 -10.926 -1.182 1.00 1.18 C ATOM 1618 OD1 ASP A 106 10.164 -11.125 -0.814 1.00 2.02 O ATOM 1619 OD2 ASP A 106 11.882 -11.597 -2.025 1.00 1.82 O ATOM 0 H ASP A 106 9.904 -9.955 0.426 1.00 0.51 H new ATOM 0 HA ASP A 106 11.660 -7.691 0.009 1.00 0.56 H new ATOM 0 HB2 ASP A 106 12.980 -9.555 -1.122 1.00 0.67 H new ATOM 0 HB3 ASP A 106 12.392 -10.029 0.460 1.00 0.67 H new ATOM 1624 N ASP A 107 9.819 -8.524 -2.519 1.00 0.50 N ATOM 1625 CA ASP A 107 9.476 -8.076 -3.898 1.00 0.52 C ATOM 1626 C ASP A 107 8.889 -6.664 -3.852 1.00 0.51 C ATOM 1627 O ASP A 107 9.070 -5.875 -4.758 1.00 0.63 O ATOM 1628 CB ASP A 107 8.436 -9.079 -4.401 1.00 0.55 C ATOM 1629 CG ASP A 107 9.100 -10.053 -5.376 1.00 0.76 C ATOM 1630 OD1 ASP A 107 9.746 -9.588 -6.300 1.00 1.39 O ATOM 1631 OD2 ASP A 107 8.950 -11.248 -5.183 1.00 1.41 O ATOM 0 H ASP A 107 9.184 -9.210 -2.111 1.00 0.50 H new ATOM 0 HA ASP A 107 10.347 -8.041 -4.553 1.00 0.52 H new ATOM 0 HB2 ASP A 107 8.005 -9.625 -3.562 1.00 0.55 H new ATOM 0 HB3 ASP A 107 7.618 -8.555 -4.894 1.00 0.55 H new ATOM 1636 N ILE A 108 8.193 -6.339 -2.799 1.00 0.46 N ATOM 1637 CA ILE A 108 7.602 -4.976 -2.689 1.00 0.52 C ATOM 1638 C ILE A 108 8.709 -3.944 -2.469 1.00 0.50 C ATOM 1639 O ILE A 108 8.714 -2.886 -3.066 1.00 0.52 O ATOM 1640 CB ILE A 108 6.676 -5.034 -1.475 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.543 -6.028 -1.745 1.00 0.73 C ATOM 1642 CG2 ILE A 108 6.088 -3.645 -1.217 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.582 -6.047 -0.554 1.00 0.68 C ATOM 0 H ILE A 108 8.008 -6.958 -2.010 1.00 0.46 H new ATOM 0 HA ILE A 108 7.065 -4.686 -3.592 1.00 0.52 H new ATOM 0 HB ILE A 108 7.241 -5.357 -0.601 1.00 0.60 H new ATOM 0 HG12 ILE A 108 5.008 -5.747 -2.652 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.952 -7.025 -1.911 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.427 -3.685 -0.351 1.00 0.67 H new ATOM 0 HG22 ILE A 108 6.895 -2.938 -1.025 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.522 -3.321 -2.091 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.776 -6.755 -0.748 1.00 0.68 H new ATOM 0 HD12 ILE A 108 5.121 -6.348 0.344 1.00 0.68 H new ATOM 0 HD13 ILE A 108 4.163 -5.051 -0.409 1.00 0.68 H new ATOM 1655 N VAL A 109 9.651 -4.246 -1.617 1.00 0.51 N ATOM 1656 CA VAL A 109 10.758 -3.283 -1.363 1.00 0.56 C ATOM 1657 C VAL A 109 11.613 -3.130 -2.622 1.00 0.51 C ATOM 1658 O VAL A 109 12.061 -2.051 -2.952 1.00 0.55 O ATOM 1659 CB VAL A 109 11.572 -3.906 -0.228 1.00 0.67 C ATOM 1660 CG1 VAL A 109 12.738 -2.982 0.130 1.00 0.81 C ATOM 1661 CG2 VAL A 109 10.676 -4.094 0.998 1.00 0.86 C ATOM 0 H VAL A 109 9.701 -5.116 -1.087 1.00 0.51 H new ATOM 0 HA VAL A 109 10.396 -2.289 -1.101 1.00 0.56 H new ATOM 0 HB VAL A 109 11.960 -4.873 -0.547 1.00 0.67 H new ATOM 0 HG11 VAL A 109 13.319 -3.425 0.939 1.00 0.81 H new ATOM 0 HG12 VAL A 109 13.376 -2.847 -0.743 1.00 0.81 H new ATOM 0 HG13 VAL A 109 12.351 -2.015 0.450 1.00 0.81 H new ATOM 0 HG21 VAL A 109 11.255 -4.538 1.807 1.00 0.86 H new ATOM 0 HG22 VAL A 109 10.289 -3.126 1.317 1.00 0.86 H new ATOM 0 HG23 VAL A 109 9.845 -4.752 0.744 1.00 0.86 H new ATOM 1671 N ASN A 110 11.840 -4.202 -3.330 1.00 0.50 N ATOM 1672 CA ASN A 110 12.663 -4.117 -4.570 1.00 0.52 C ATOM 1673 C ASN A 110 11.981 -3.213 -5.595 1.00 0.50 C ATOM 1674 O ASN A 110 12.581 -2.303 -6.134 1.00 0.59 O ATOM 1675 CB ASN A 110 12.749 -5.553 -5.089 1.00 0.59 C ATOM 1676 CG ASN A 110 14.162 -6.092 -4.867 1.00 0.98 C ATOM 1677 OD1 ASN A 110 15.127 -5.502 -5.313 1.00 1.65 O ATOM 1678 ND2 ASN A 110 14.329 -7.197 -4.193 1.00 1.29 N ATOM 0 H ASN A 110 11.491 -5.133 -3.104 1.00 0.50 H new ATOM 0 HA ASN A 110 13.650 -3.694 -4.383 1.00 0.52 H new ATOM 0 HB2 ASN A 110 12.023 -6.182 -4.573 1.00 0.59 H new ATOM 0 HB3 ASN A 110 12.499 -5.583 -6.150 1.00 0.59 H new ATOM 0 HD21 ASN A 110 15.268 -7.565 -4.041 1.00 1.29 H new ATOM 0 HD22 ASN A 110 13.520 -7.693 -3.818 1.00 1.29 H new ATOM 1685 N TRP A 111 10.731 -3.454 -5.868 1.00 0.46 N ATOM 1686 CA TRP A 111 10.008 -2.607 -6.858 1.00 0.51 C ATOM 1687 C TRP A 111 9.956 -1.157 -6.371 1.00 0.55 C ATOM 1688 O TRP A 111 9.845 -0.233 -7.152 1.00 0.66 O ATOM 1689 CB TRP A 111 8.600 -3.201 -6.933 1.00 0.55 C ATOM 1690 CG TRP A 111 7.923 -2.727 -8.178 1.00 0.58 C ATOM 1691 CD1 TRP A 111 7.734 -3.473 -9.291 1.00 0.73 C ATOM 1692 CD2 TRP A 111 7.344 -1.419 -8.458 1.00 0.69 C ATOM 1693 NE1 TRP A 111 7.075 -2.706 -10.235 1.00 0.84 N ATOM 1694 CE2 TRP A 111 6.813 -1.433 -9.769 1.00 0.83 C ATOM 1695 CE3 TRP A 111 7.230 -0.235 -7.708 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 6.192 -0.312 -10.318 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 6.603 0.897 -8.258 1.00 1.07 C ATOM 1698 CH2 TRP A 111 6.086 0.858 -9.560 1.00 1.14 C ATOM 0 H TRP A 111 10.177 -4.201 -5.449 1.00 0.46 H new ATOM 0 HA TRP A 111 10.497 -2.597 -7.832 1.00 0.51 H new ATOM 0 HB2 TRP A 111 8.653 -4.290 -6.927 1.00 0.55 H new ATOM 0 HB3 TRP A 111 8.022 -2.905 -6.057 1.00 0.55 H new ATOM 0 HD1 TRP A 111 8.046 -4.499 -9.421 1.00 0.73 H new ATOM 0 HE1 TRP A 111 6.814 -3.040 -11.163 1.00 0.84 H new ATOM 0 HE3 TRP A 111 7.626 -0.195 -6.704 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 5.796 -0.347 -11.322 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 6.519 1.802 -7.674 1.00 1.07 H new ATOM 0 HH2 TRP A 111 5.606 1.731 -9.977 1.00 1.14 H new ATOM 1709 N LEU A 112 10.033 -0.952 -5.085 1.00 0.55 N ATOM 1710 CA LEU A 112 9.986 0.437 -4.547 1.00 0.65 C ATOM 1711 C LEU A 112 11.397 1.029 -4.471 1.00 0.65 C ATOM 1712 O LEU A 112 11.623 2.163 -4.844 1.00 0.75 O ATOM 1713 CB LEU A 112 9.384 0.299 -3.149 1.00 0.74 C ATOM 1714 CG LEU A 112 7.920 0.740 -3.179 1.00 0.86 C ATOM 1715 CD1 LEU A 112 7.091 -0.177 -2.278 1.00 1.49 C ATOM 1716 CD2 LEU A 112 7.811 2.181 -2.677 1.00 1.10 C ATOM 0 H LEU A 112 10.126 -1.686 -4.383 1.00 0.55 H new ATOM 0 HA LEU A 112 9.400 1.104 -5.180 1.00 0.65 H new ATOM 0 HB2 LEU A 112 9.457 -0.735 -2.810 1.00 0.74 H new ATOM 0 HB3 LEU A 112 9.944 0.907 -2.439 1.00 0.74 H new ATOM 0 HG LEU A 112 7.545 0.681 -4.201 1.00 0.86 H new ATOM 0 HD11 LEU A 112 6.048 0.138 -2.300 1.00 1.49 H new ATOM 0 HD12 LEU A 112 7.168 -1.204 -2.635 1.00 1.49 H new ATOM 0 HD13 LEU A 112 7.466 -0.119 -1.256 1.00 1.49 H new ATOM 0 HD21 LEU A 112 6.768 2.496 -2.698 1.00 1.10 H new ATOM 0 HD22 LEU A 112 8.187 2.240 -1.656 1.00 1.10 H new ATOM 0 HD23 LEU A 112 8.401 2.836 -3.319 1.00 1.10 H new ATOM 1728 N LYS A 113 12.348 0.274 -3.994 1.00 0.62 N ATOM 1729 CA LYS A 113 13.738 0.807 -3.901 1.00 0.70 C ATOM 1730 C LYS A 113 14.507 0.541 -5.203 1.00 0.75 C ATOM 1731 O LYS A 113 15.691 0.799 -5.293 1.00 1.01 O ATOM 1732 CB LYS A 113 14.380 0.054 -2.736 1.00 0.79 C ATOM 1733 CG LYS A 113 14.573 1.010 -1.558 1.00 1.42 C ATOM 1734 CD LYS A 113 14.418 0.241 -0.245 1.00 1.84 C ATOM 1735 CE LYS A 113 15.033 1.053 0.898 1.00 2.39 C ATOM 1736 NZ LYS A 113 16.500 0.818 0.788 1.00 2.86 N ATOM 0 H LYS A 113 12.225 -0.684 -3.666 1.00 0.62 H new ATOM 0 HA LYS A 113 13.750 1.886 -3.745 1.00 0.70 H new ATOM 0 HB2 LYS A 113 13.750 -0.784 -2.439 1.00 0.79 H new ATOM 0 HB3 LYS A 113 15.340 -0.362 -3.042 1.00 0.79 H new ATOM 0 HG2 LYS A 113 15.560 1.470 -1.608 1.00 1.42 H new ATOM 0 HG3 LYS A 113 13.842 1.817 -1.607 1.00 1.42 H new ATOM 0 HD2 LYS A 113 13.363 0.052 -0.044 1.00 1.84 H new ATOM 0 HD3 LYS A 113 14.908 -0.730 -0.320 1.00 1.84 H new ATOM 0 HE2 LYS A 113 14.794 2.112 0.803 1.00 2.39 H new ATOM 0 HE3 LYS A 113 14.652 0.726 1.865 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 16.938 0.910 1.727 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 16.672 -0.139 0.418 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 16.916 1.518 0.142 1.00 2.86 H new ATOM 1750 N LYS A 114 13.849 0.036 -6.213 1.00 0.71 N ATOM 1751 CA LYS A 114 14.555 -0.230 -7.498 1.00 0.89 C ATOM 1752 C LYS A 114 15.224 1.053 -7.995 1.00 1.07 C ATOM 1753 O LYS A 114 16.257 1.022 -8.633 1.00 1.31 O ATOM 1754 CB LYS A 114 13.461 -0.675 -8.469 1.00 0.92 C ATOM 1755 CG LYS A 114 13.915 -1.932 -9.211 1.00 1.45 C ATOM 1756 CD LYS A 114 12.730 -2.886 -9.369 1.00 1.77 C ATOM 1757 CE LYS A 114 13.121 -4.040 -10.297 1.00 2.49 C ATOM 1758 NZ LYS A 114 11.967 -4.981 -10.245 1.00 3.00 N ATOM 0 H LYS A 114 12.857 -0.203 -6.203 1.00 0.71 H new ATOM 0 HA LYS A 114 15.336 -0.984 -7.397 1.00 0.89 H new ATOM 0 HB2 LYS A 114 12.537 -0.875 -7.926 1.00 0.92 H new ATOM 0 HB3 LYS A 114 13.246 0.122 -9.181 1.00 0.92 H new ATOM 0 HG2 LYS A 114 14.314 -1.665 -10.190 1.00 1.45 H new ATOM 0 HG3 LYS A 114 14.719 -2.421 -8.661 1.00 1.45 H new ATOM 0 HD2 LYS A 114 12.430 -3.274 -8.396 1.00 1.77 H new ATOM 0 HD3 LYS A 114 11.872 -2.352 -9.777 1.00 1.77 H new ATOM 0 HE2 LYS A 114 13.298 -3.687 -11.313 1.00 2.49 H new ATOM 0 HE3 LYS A 114 14.040 -4.522 -9.963 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 12.159 -5.800 -10.857 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 11.827 -5.305 -9.267 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 11.108 -4.496 -10.575 1.00 3.00 H new ATOM 1772 N ARG A 115 14.639 2.182 -7.701 1.00 1.09 N ATOM 1773 CA ARG A 115 15.235 3.473 -8.150 1.00 1.40 C ATOM 1774 C ARG A 115 14.734 4.615 -7.264 1.00 1.25 C ATOM 1775 O ARG A 115 14.559 5.731 -7.712 1.00 1.55 O ATOM 1776 CB ARG A 115 14.750 3.655 -9.587 1.00 1.86 C ATOM 1777 CG ARG A 115 15.940 3.993 -10.488 1.00 2.43 C ATOM 1778 CD ARG A 115 15.800 3.250 -11.818 1.00 2.92 C ATOM 1779 NE ARG A 115 16.340 4.188 -12.841 1.00 3.45 N ATOM 1780 CZ ARG A 115 15.635 4.473 -13.903 1.00 3.99 C ATOM 1781 NH1 ARG A 115 15.374 3.543 -14.782 1.00 4.52 N ATOM 1782 NH2 ARG A 115 15.191 5.687 -14.085 1.00 4.34 N ATOM 0 H ARG A 115 13.773 2.266 -7.169 1.00 1.09 H new ATOM 0 HA ARG A 115 16.323 3.473 -8.087 1.00 1.40 H new ATOM 0 HB2 ARG A 115 14.263 2.744 -9.936 1.00 1.86 H new ATOM 0 HB3 ARG A 115 14.007 4.451 -9.633 1.00 1.86 H new ATOM 0 HG2 ARG A 115 15.984 5.068 -10.663 1.00 2.43 H new ATOM 0 HG3 ARG A 115 16.872 3.711 -9.998 1.00 2.43 H new ATOM 0 HD2 ARG A 115 16.357 2.313 -11.808 1.00 2.92 H new ATOM 0 HD3 ARG A 115 14.759 2.999 -12.023 1.00 2.92 H new ATOM 0 HE ARG A 115 17.261 4.608 -12.712 1.00 3.45 H new ATOM 0 HH11 ARG A 115 15.721 2.594 -14.639 1.00 4.52 H new ATOM 0 HH12 ARG A 115 14.823 3.765 -15.611 1.00 4.52 H new ATOM 0 HH21 ARG A 115 15.395 6.413 -13.398 1.00 4.34 H new ATOM 0 HH22 ARG A 115 14.640 5.910 -14.914 1.00 4.34 H new ATOM 1796 N THR A 116 14.500 4.344 -6.008 1.00 1.09 N ATOM 1797 CA THR A 116 14.008 5.411 -5.086 1.00 1.33 C ATOM 1798 C THR A 116 12.804 6.129 -5.702 1.00 1.97 C ATOM 1799 O THR A 116 12.873 7.291 -6.052 1.00 2.63 O ATOM 1800 CB THR A 116 15.182 6.385 -4.905 1.00 1.60 C ATOM 1801 OG1 THR A 116 16.396 5.779 -5.337 1.00 2.17 O ATOM 1802 CG2 THR A 116 15.301 6.758 -3.428 1.00 1.81 C ATOM 0 H THR A 116 14.628 3.428 -5.579 1.00 1.09 H new ATOM 0 HA THR A 116 13.682 4.999 -4.131 1.00 1.33 H new ATOM 0 HB THR A 116 15.000 7.278 -5.502 1.00 1.60 H new ATOM 0 HG1 THR A 116 17.137 6.410 -5.218 1.00 2.17 H new ATOM 0 HG21 THR A 116 16.133 7.449 -3.293 1.00 1.81 H new ATOM 0 HG22 THR A 116 14.377 7.233 -3.097 1.00 1.81 H new ATOM 0 HG23 THR A 116 15.478 5.858 -2.839 1.00 1.81 H new ATOM 1810 N GLY A 117 11.701 5.444 -5.839 1.00 2.26 N ATOM 1811 CA GLY A 117 10.494 6.084 -6.433 1.00 3.23 C ATOM 1812 C GLY A 117 10.770 6.427 -7.903 1.00 3.72 C ATOM 1813 O GLY A 117 11.894 6.331 -8.356 1.00 3.64 O ATOM 0 H GLY A 117 11.584 4.468 -5.565 1.00 2.26 H new ATOM 0 HA2 GLY A 117 9.639 5.412 -6.359 1.00 3.23 H new ATOM 0 HA3 GLY A 117 10.238 6.987 -5.879 1.00 3.23 H new ATOM 1817 N PRO A 118 9.734 6.819 -8.605 1.00 4.60 N ATOM 1818 CA PRO A 118 9.888 7.178 -10.035 1.00 5.37 C ATOM 1819 C PRO A 118 10.583 8.536 -10.184 1.00 5.55 C ATOM 1820 O PRO A 118 11.756 8.608 -10.492 1.00 5.89 O ATOM 1821 CB PRO A 118 8.453 7.217 -10.555 1.00 6.27 C ATOM 1822 CG PRO A 118 7.596 7.473 -9.351 1.00 6.17 C ATOM 1823 CD PRO A 118 8.345 6.968 -8.144 1.00 5.22 C ATOM 0 HA PRO A 118 10.509 6.474 -10.589 1.00 5.37 H new ATOM 0 HB2 PRO A 118 8.327 8.002 -11.300 1.00 6.27 H new ATOM 0 HB3 PRO A 118 8.184 6.276 -11.035 1.00 6.27 H new ATOM 0 HG2 PRO A 118 7.383 8.537 -9.252 1.00 6.17 H new ATOM 0 HG3 PRO A 118 6.637 6.963 -9.448 1.00 6.17 H new ATOM 0 HD2 PRO A 118 8.276 7.670 -7.313 1.00 5.22 H new ATOM 0 HD3 PRO A 118 7.939 6.019 -7.794 1.00 5.22 H new ATOM 1831 N ALA A 119 9.873 9.609 -9.969 1.00 5.74 N ATOM 1832 CA ALA A 119 10.488 10.965 -10.096 1.00 6.37 C ATOM 1833 C ALA A 119 11.095 11.153 -11.493 1.00 7.12 C ATOM 1834 O ALA A 119 10.454 11.666 -12.389 1.00 7.52 O ATOM 1835 CB ALA A 119 11.571 11.021 -9.015 1.00 6.62 C ATOM 0 H ALA A 119 8.887 9.607 -9.709 1.00 5.74 H new ATOM 0 HA ALA A 119 9.753 11.760 -9.969 1.00 6.37 H new ATOM 0 HB1 ALA A 119 12.068 11.991 -9.047 1.00 6.62 H new ATOM 0 HB2 ALA A 119 11.115 10.880 -8.035 1.00 6.62 H new ATOM 0 HB3 ALA A 119 12.303 10.233 -9.192 1.00 6.62 H new ATOM 1841 N ALA A 120 12.322 10.749 -11.689 1.00 7.64 N ATOM 1842 CA ALA A 120 12.953 10.914 -13.030 1.00 8.64 C ATOM 1843 C ALA A 120 12.841 9.615 -13.833 1.00 9.09 C ATOM 1844 O ALA A 120 12.701 9.700 -15.042 1.00 9.37 O ATOM 1845 CB ALA A 120 14.418 11.240 -12.738 1.00 9.17 C ATOM 1846 OXT ALA A 120 12.898 8.559 -13.225 1.00 9.38 O ATOM 0 H ALA A 120 12.913 10.313 -10.981 1.00 7.64 H new ATOM 0 HA ALA A 120 12.471 11.693 -13.621 1.00 8.64 H new ATOM 0 HB1 ALA A 120 14.954 11.377 -13.677 1.00 9.17 H new ATOM 0 HB2 ALA A 120 14.477 12.156 -12.150 1.00 9.17 H new ATOM 0 HB3 ALA A 120 14.869 10.420 -12.179 1.00 9.17 H new TER 1852 ALA A 120