USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 823 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.111 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.299 K(o=-0.3,f=-1.3) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HE2:sc= 0.0438 K(o=0.044,f=-1.9!) USER MOD Single : A 20 HIS : no HD1:sc= -2.87! K(o=-2.9!,f=-1.9) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.128 K(o=-0.13,f=-0.97) USER MOD Single : A 34 GLN : amide:sc= 0.338 X(o=0.34,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -101:sc= 1.08 USER MOD Single : A 40 ASN : amide:sc= -1.3 K(o=-1.3,f=-3.2) USER MOD Single : A 41 SER OG : rot -108:sc= 0.345 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -151:sc= 0.643 (180deg=-0.467) USER MOD Single : A 49 LYS NZ :NH3+ -160:sc= -0.082 (180deg=-0.396) USER MOD Single : A 53 SER OG : rot -22:sc= 0.17 USER MOD Single : A 54 ASN : amide:sc= 0.419 X(o=0.42,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.385 USER MOD Single : A 57 SER OG : rot 180:sc= 0.00451 USER MOD Single : A 58 TYR OH : rot 180:sc= -0.256 USER MOD Single : A 61 THR OG1 : rot 144:sc= 0.74 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 MET CE :methyl -164:sc= -0.394 (180deg=-0.997) USER MOD Single : A 75 HIS : no HE2:sc= -3.22 K(o=-3.2,f=-8.3!) USER MOD Single : A 76 SER OG : rot -124:sc= 0.661 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0446 USER MOD Single : A 79 HIS : no HD1:sc= -0.0701 X(o=-0.07,f=-0.07) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0.0248 K(o=0.025,f=-1.7!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot -150:sc= -0.87 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= -0.332 K(o=-0.33,f=-0.94) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0.444 X(o=0.44,f=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.314 5.608 14.934 1.00 17.73 N ATOM 2 CA GLY A 1 -4.430 5.721 13.475 1.00 16.76 C ATOM 3 C GLY A 1 -3.626 6.912 12.992 1.00 16.39 C ATOM 4 O GLY A 1 -2.445 7.025 13.319 1.00 16.98 O ATOM 0 H1 GLY A 1 -4.866 4.791 15.264 1.00 17.73 H new ATOM 0 H2 GLY A 1 -3.315 5.479 15.194 1.00 17.73 H new ATOM 0 H3 GLY A 1 -4.678 6.474 15.379 1.00 17.73 H new ATOM 0 HA2 GLY A 1 -4.069 4.809 13.000 1.00 16.76 H new ATOM 0 HA3 GLY A 1 -5.476 5.836 13.191 1.00 16.76 H new ATOM 10 N SER A 2 -4.276 7.804 12.246 1.00 15.63 N ATOM 11 CA SER A 2 -3.656 8.934 11.580 1.00 15.32 C ATOM 12 C SER A 2 -3.098 9.951 12.580 1.00 16.06 C ATOM 13 O SER A 2 -3.642 10.112 13.672 1.00 17.04 O ATOM 14 CB SER A 2 -4.706 9.560 10.655 1.00 14.39 C ATOM 15 OG SER A 2 -5.982 9.539 11.271 1.00 14.32 O ATOM 0 H SER A 2 -5.282 7.753 12.087 1.00 15.63 H new ATOM 0 HA SER A 2 -2.799 8.598 10.997 1.00 15.32 H new ATOM 0 HB2 SER A 2 -4.426 10.587 10.419 1.00 14.39 H new ATOM 0 HB3 SER A 2 -4.741 9.014 9.712 1.00 14.39 H new ATOM 0 HG SER A 2 -6.642 9.943 10.670 1.00 14.32 H new ATOM 21 N LYS A 3 -2.009 10.633 12.203 1.00 15.74 N ATOM 22 CA LYS A 3 -1.482 11.834 12.856 1.00 16.25 C ATOM 23 C LYS A 3 -0.371 12.405 11.972 1.00 15.62 C ATOM 24 O LYS A 3 0.062 11.738 11.038 1.00 15.15 O ATOM 25 CB LYS A 3 -0.944 11.516 14.263 1.00 17.61 C ATOM 26 CG LYS A 3 0.323 10.652 14.224 1.00 18.78 C ATOM 27 CD LYS A 3 0.431 9.763 15.463 1.00 20.16 C ATOM 28 CE LYS A 3 -0.475 8.539 15.284 1.00 20.16 C ATOM 29 NZ LYS A 3 -0.258 7.548 16.357 1.00 21.57 N ATOM 0 H LYS A 3 -1.448 10.349 11.400 1.00 15.74 H new ATOM 0 HA LYS A 3 -2.282 12.564 12.978 1.00 16.25 H new ATOM 0 HB2 LYS A 3 -0.729 12.448 14.786 1.00 17.61 H new ATOM 0 HB3 LYS A 3 -1.715 11.000 14.836 1.00 17.61 H new ATOM 0 HG2 LYS A 3 0.314 10.031 13.328 1.00 18.78 H new ATOM 0 HG3 LYS A 3 1.201 11.294 14.158 1.00 18.78 H new ATOM 0 HD2 LYS A 3 1.464 9.448 15.610 1.00 20.16 H new ATOM 0 HD3 LYS A 3 0.138 10.321 16.352 1.00 20.16 H new ATOM 0 HE2 LYS A 3 -1.519 8.854 15.283 1.00 20.16 H new ATOM 0 HE3 LYS A 3 -0.280 8.078 14.316 1.00 20.16 H new ATOM 0 HZ1 LYS A 3 -0.885 6.732 16.208 1.00 21.57 H new ATOM 0 HZ2 LYS A 3 0.732 7.231 16.342 1.00 21.57 H new ATOM 0 HZ3 LYS A 3 -0.468 7.982 17.278 1.00 21.57 H new ATOM 43 N GLY A 4 0.128 13.603 12.274 1.00 15.83 N ATOM 44 CA GLY A 4 1.284 14.165 11.591 1.00 15.49 C ATOM 45 C GLY A 4 1.175 15.675 11.539 1.00 14.89 C ATOM 46 O GLY A 4 0.179 16.235 11.995 1.00 14.94 O ATOM 0 H GLY A 4 -0.260 14.208 12.998 1.00 15.83 H new ATOM 0 HA2 GLY A 4 2.198 13.876 12.110 1.00 15.49 H new ATOM 0 HA3 GLY A 4 1.350 13.762 10.580 1.00 15.49 H new ATOM 50 N VAL A 5 2.199 16.328 10.992 1.00 14.56 N ATOM 51 CA VAL A 5 2.143 17.743 10.706 1.00 13.95 C ATOM 52 C VAL A 5 1.464 17.948 9.355 1.00 11.85 C ATOM 53 O VAL A 5 0.762 17.060 8.863 1.00 10.98 O ATOM 54 CB VAL A 5 3.556 18.341 10.777 1.00 14.76 C ATOM 55 CG1 VAL A 5 4.163 18.064 12.154 1.00 16.89 C ATOM 56 CG2 VAL A 5 4.542 17.844 9.713 1.00 14.17 C ATOM 0 H VAL A 5 3.082 15.885 10.739 1.00 14.56 H new ATOM 0 HA VAL A 5 1.547 18.272 11.450 1.00 13.95 H new ATOM 0 HB VAL A 5 3.414 19.405 10.587 1.00 14.76 H new ATOM 0 HG11 VAL A 5 5.165 18.489 12.202 1.00 16.89 H new ATOM 0 HG12 VAL A 5 3.539 18.517 12.924 1.00 16.89 H new ATOM 0 HG13 VAL A 5 4.217 16.988 12.318 1.00 16.89 H new ATOM 0 HG21 VAL A 5 5.507 18.330 9.856 1.00 14.17 H new ATOM 0 HG22 VAL A 5 4.662 16.765 9.804 1.00 14.17 H new ATOM 0 HG23 VAL A 5 4.158 18.084 8.721 1.00 14.17 H new ATOM 66 N GLU A 6 1.665 19.106 8.729 1.00 11.18 N ATOM 67 CA GLU A 6 1.174 19.316 7.385 1.00 9.28 C ATOM 68 C GLU A 6 2.166 18.791 6.354 1.00 8.35 C ATOM 69 O GLU A 6 3.291 19.261 6.221 1.00 8.86 O ATOM 70 CB GLU A 6 0.781 20.786 7.173 1.00 9.47 C ATOM 71 CG GLU A 6 1.964 21.764 7.214 1.00 10.62 C ATOM 72 CD GLU A 6 1.471 23.202 7.348 1.00 11.27 C ATOM 73 OE1 GLU A 6 1.298 23.637 8.508 1.00 12.34 O ATOM 74 OE2 GLU A 6 1.259 23.838 6.292 1.00 11.06 O ATOM 0 H GLU A 6 2.160 19.901 9.133 1.00 11.18 H new ATOM 0 HA GLU A 6 0.262 18.736 7.242 1.00 9.28 H new ATOM 0 HB2 GLU A 6 0.278 20.881 6.211 1.00 9.47 H new ATOM 0 HB3 GLU A 6 0.060 21.072 7.939 1.00 9.47 H new ATOM 0 HG2 GLU A 6 2.616 21.518 8.052 1.00 10.62 H new ATOM 0 HG3 GLU A 6 2.559 21.661 6.306 1.00 10.62 H new ATOM 81 N LEU A 7 1.718 17.774 5.624 1.00 7.25 N ATOM 82 CA LEU A 7 2.393 17.169 4.496 1.00 6.66 C ATOM 83 C LEU A 7 1.320 16.704 3.516 1.00 4.98 C ATOM 84 O LEU A 7 1.292 15.561 3.075 1.00 5.29 O ATOM 85 CB LEU A 7 3.325 16.037 4.954 1.00 8.19 C ATOM 86 CG LEU A 7 2.863 15.107 6.097 1.00 9.73 C ATOM 87 CD1 LEU A 7 3.430 15.566 7.439 1.00 10.95 C ATOM 88 CD2 LEU A 7 1.369 14.820 6.264 1.00 9.58 C ATOM 0 H LEU A 7 0.821 17.329 5.821 1.00 7.25 H new ATOM 0 HA LEU A 7 3.042 17.887 3.995 1.00 6.66 H new ATOM 0 HB2 LEU A 7 3.536 15.413 4.086 1.00 8.19 H new ATOM 0 HB3 LEU A 7 4.269 16.490 5.258 1.00 8.19 H new ATOM 0 HG LEU A 7 3.271 14.152 5.766 1.00 9.73 H new ATOM 0 HD11 LEU A 7 3.089 14.894 8.227 1.00 10.95 H new ATOM 0 HD12 LEU A 7 4.519 15.554 7.397 1.00 10.95 H new ATOM 0 HD13 LEU A 7 3.087 16.578 7.652 1.00 10.95 H new ATOM 0 HD21 LEU A 7 1.220 14.151 7.111 1.00 9.58 H new ATOM 0 HD22 LEU A 7 0.837 15.754 6.441 1.00 9.58 H new ATOM 0 HD23 LEU A 7 0.985 14.350 5.359 1.00 9.58 H new ATOM 100 N ARG A 8 0.403 17.619 3.192 1.00 3.79 N ATOM 101 CA ARG A 8 -0.765 17.349 2.358 1.00 2.53 C ATOM 102 C ARG A 8 -1.586 16.172 2.886 1.00 2.18 C ATOM 103 O ARG A 8 -2.125 15.415 2.087 1.00 1.84 O ATOM 104 CB ARG A 8 -0.347 17.106 0.896 1.00 2.64 C ATOM 105 CG ARG A 8 0.703 18.105 0.398 1.00 3.10 C ATOM 106 CD ARG A 8 0.781 18.088 -1.131 1.00 3.71 C ATOM 107 NE ARG A 8 -0.403 18.725 -1.729 1.00 4.23 N ATOM 108 CZ ARG A 8 -0.578 18.962 -3.034 1.00 5.33 C ATOM 109 NH1 ARG A 8 0.343 18.568 -3.913 1.00 6.04 N ATOM 110 NH2 ARG A 8 -1.673 19.598 -3.452 1.00 6.37 N ATOM 0 H ARG A 8 0.455 18.587 3.510 1.00 3.79 H new ATOM 0 HA ARG A 8 -1.401 18.233 2.397 1.00 2.53 H new ATOM 0 HB2 ARG A 8 0.048 16.095 0.800 1.00 2.64 H new ATOM 0 HB3 ARG A 8 -1.228 17.166 0.257 1.00 2.64 H new ATOM 0 HG2 ARG A 8 0.451 19.108 0.743 1.00 3.10 H new ATOM 0 HG3 ARG A 8 1.677 17.858 0.820 1.00 3.10 H new ATOM 0 HD2 ARG A 8 1.682 18.608 -1.458 1.00 3.71 H new ATOM 0 HD3 ARG A 8 0.861 17.059 -1.483 1.00 3.71 H new ATOM 0 HE ARG A 8 -1.151 19.009 -1.097 1.00 4.23 H new ATOM 0 HH11 ARG A 8 1.182 18.085 -3.591 1.00 6.04 H new ATOM 0 HH12 ARG A 8 0.209 18.749 -4.908 1.00 6.04 H new ATOM 0 HH21 ARG A 8 -2.375 19.903 -2.777 1.00 6.37 H new ATOM 0 HH22 ARG A 8 -1.809 19.780 -4.446 1.00 6.37 H new ATOM 124 N ASN A 9 -1.751 16.056 4.209 1.00 2.33 N ATOM 125 CA ASN A 9 -2.502 14.958 4.825 1.00 2.22 C ATOM 126 C ASN A 9 -3.891 14.807 4.236 1.00 1.77 C ATOM 127 O ASN A 9 -4.430 13.714 4.211 1.00 1.73 O ATOM 128 CB ASN A 9 -2.654 15.154 6.344 1.00 2.62 C ATOM 129 CG ASN A 9 -1.740 14.231 7.145 1.00 3.29 C ATOM 130 OD1 ASN A 9 -1.464 13.113 6.733 1.00 4.26 O ATOM 131 ND2 ASN A 9 -1.263 14.653 8.308 1.00 3.28 N ATOM 0 H ASN A 9 -1.368 16.720 4.881 1.00 2.33 H new ATOM 0 HA ASN A 9 -1.921 14.059 4.619 1.00 2.22 H new ATOM 0 HB2 ASN A 9 -2.431 16.190 6.598 1.00 2.62 H new ATOM 0 HB3 ASN A 9 -3.690 14.971 6.629 1.00 2.62 H new ATOM 0 HD21 ASN A 9 -0.663 14.044 8.864 1.00 3.28 H new ATOM 0 HD22 ASN A 9 -1.497 15.586 8.647 1.00 3.28 H new ATOM 138 N ASP A 10 -4.495 15.904 3.807 1.00 1.53 N ATOM 139 CA ASP A 10 -5.777 15.888 3.133 1.00 1.12 C ATOM 140 C ASP A 10 -5.702 15.113 1.816 1.00 0.87 C ATOM 141 O ASP A 10 -6.439 14.154 1.603 1.00 0.81 O ATOM 142 CB ASP A 10 -6.179 17.349 2.941 1.00 1.12 C ATOM 143 CG ASP A 10 -7.259 17.512 1.876 1.00 1.30 C ATOM 144 OD1 ASP A 10 -8.446 17.364 2.231 1.00 1.56 O ATOM 145 OD2 ASP A 10 -6.859 17.781 0.721 1.00 2.34 O ATOM 0 H ASP A 10 -4.102 16.839 3.920 1.00 1.53 H new ATOM 0 HA ASP A 10 -6.534 15.368 3.721 1.00 1.12 H new ATOM 0 HB2 ASP A 10 -6.540 17.753 3.887 1.00 1.12 H new ATOM 0 HB3 ASP A 10 -5.302 17.932 2.659 1.00 1.12 H new ATOM 150 N SER A 11 -4.789 15.504 0.931 1.00 0.92 N ATOM 151 CA SER A 11 -4.747 14.960 -0.417 1.00 0.78 C ATOM 152 C SER A 11 -4.266 13.511 -0.363 1.00 0.62 C ATOM 153 O SER A 11 -4.851 12.626 -0.984 1.00 0.49 O ATOM 154 CB SER A 11 -3.824 15.825 -1.281 1.00 1.10 C ATOM 155 OG SER A 11 -3.930 15.508 -2.656 1.00 1.90 O ATOM 0 H SER A 11 -4.068 16.198 1.127 1.00 0.92 H new ATOM 0 HA SER A 11 -5.742 14.971 -0.863 1.00 0.78 H new ATOM 0 HB2 SER A 11 -4.069 16.877 -1.132 1.00 1.10 H new ATOM 0 HB3 SER A 11 -2.792 15.689 -0.957 1.00 1.10 H new ATOM 0 HG SER A 11 -3.327 16.083 -3.172 1.00 1.90 H new ATOM 161 N GLU A 12 -3.164 13.286 0.354 1.00 0.86 N ATOM 162 CA GLU A 12 -2.561 11.973 0.527 1.00 0.95 C ATOM 163 C GLU A 12 -3.516 11.123 1.356 1.00 0.97 C ATOM 164 O GLU A 12 -3.648 9.933 1.118 1.00 1.11 O ATOM 165 CB GLU A 12 -1.150 12.108 1.145 1.00 1.35 C ATOM 166 CG GLU A 12 -0.941 11.726 2.629 1.00 2.98 C ATOM 167 CD GLU A 12 -0.361 10.312 2.824 1.00 4.25 C ATOM 168 OE1 GLU A 12 0.882 10.206 2.792 1.00 4.21 O ATOM 169 OE2 GLU A 12 -1.126 9.327 2.980 1.00 5.86 O ATOM 0 H GLU A 12 -2.660 14.029 0.838 1.00 0.86 H new ATOM 0 HA GLU A 12 -2.412 11.472 -0.430 1.00 0.95 H new ATOM 0 HB2 GLU A 12 -0.470 11.498 0.550 1.00 1.35 H new ATOM 0 HB3 GLU A 12 -0.836 13.145 1.025 1.00 1.35 H new ATOM 0 HG2 GLU A 12 -0.272 12.451 3.092 1.00 2.98 H new ATOM 0 HG3 GLU A 12 -1.895 11.794 3.151 1.00 2.98 H new ATOM 176 N GLY A 13 -4.228 11.738 2.300 1.00 1.03 N ATOM 177 CA GLY A 13 -5.189 11.062 3.145 1.00 1.17 C ATOM 178 C GLY A 13 -6.277 10.451 2.292 1.00 1.03 C ATOM 179 O GLY A 13 -6.596 9.287 2.473 1.00 1.11 O ATOM 0 H GLY A 13 -4.146 12.736 2.495 1.00 1.03 H new ATOM 0 HA2 GLY A 13 -4.693 10.287 3.728 1.00 1.17 H new ATOM 0 HA3 GLY A 13 -5.623 11.767 3.855 1.00 1.17 H new ATOM 183 N PHE A 14 -6.823 11.196 1.330 1.00 0.91 N ATOM 184 CA PHE A 14 -7.915 10.698 0.510 1.00 0.98 C ATOM 185 C PHE A 14 -7.501 9.410 -0.199 1.00 0.85 C ATOM 186 O PHE A 14 -8.147 8.376 -0.055 1.00 0.97 O ATOM 187 CB PHE A 14 -8.369 11.786 -0.476 1.00 0.98 C ATOM 188 CG PHE A 14 -9.825 11.696 -0.902 1.00 1.29 C ATOM 189 CD1 PHE A 14 -10.373 10.494 -1.395 1.00 2.67 C ATOM 190 CD2 PHE A 14 -10.647 12.836 -0.796 1.00 1.91 C ATOM 191 CE1 PHE A 14 -11.731 10.429 -1.755 1.00 3.03 C ATOM 192 CE2 PHE A 14 -12.001 12.773 -1.165 1.00 2.23 C ATOM 193 CZ PHE A 14 -12.546 11.568 -1.639 1.00 2.24 C ATOM 0 H PHE A 14 -6.524 12.144 1.104 1.00 0.91 H new ATOM 0 HA PHE A 14 -8.767 10.455 1.145 1.00 0.98 H new ATOM 0 HB2 PHE A 14 -8.198 12.762 -0.022 1.00 0.98 H new ATOM 0 HB3 PHE A 14 -7.741 11.734 -1.366 1.00 0.98 H new ATOM 0 HD1 PHE A 14 -9.747 9.620 -1.497 1.00 2.67 H new ATOM 0 HD2 PHE A 14 -10.233 13.764 -0.429 1.00 1.91 H new ATOM 0 HE1 PHE A 14 -12.148 9.502 -2.121 1.00 3.03 H new ATOM 0 HE2 PHE A 14 -12.624 13.652 -1.084 1.00 2.23 H new ATOM 0 HZ PHE A 14 -13.589 11.517 -1.914 1.00 2.24 H new ATOM 203 N ILE A 15 -6.425 9.450 -0.986 1.00 0.66 N ATOM 204 CA ILE A 15 -6.005 8.276 -1.750 1.00 0.63 C ATOM 205 C ILE A 15 -5.522 7.143 -0.836 1.00 0.62 C ATOM 206 O ILE A 15 -5.663 5.970 -1.175 1.00 0.67 O ATOM 207 CB ILE A 15 -4.942 8.653 -2.787 1.00 0.52 C ATOM 208 CG1 ILE A 15 -3.652 9.094 -2.079 1.00 0.40 C ATOM 209 CG2 ILE A 15 -5.509 9.700 -3.752 1.00 0.55 C ATOM 210 CD1 ILE A 15 -2.950 10.309 -2.665 1.00 0.36 C ATOM 0 H ILE A 15 -5.835 10.273 -1.110 1.00 0.66 H new ATOM 0 HA ILE A 15 -6.878 7.901 -2.284 1.00 0.63 H new ATOM 0 HB ILE A 15 -4.674 7.788 -3.394 1.00 0.52 H new ATOM 0 HG12 ILE A 15 -3.888 9.304 -1.036 1.00 0.40 H new ATOM 0 HG13 ILE A 15 -2.953 8.257 -2.086 1.00 0.40 H new ATOM 0 HG21 ILE A 15 -4.750 9.965 -4.488 1.00 0.55 H new ATOM 0 HG22 ILE A 15 -6.381 9.290 -4.262 1.00 0.55 H new ATOM 0 HG23 ILE A 15 -5.800 10.590 -3.194 1.00 0.55 H new ATOM 0 HD11 ILE A 15 -2.054 10.526 -2.084 1.00 0.36 H new ATOM 0 HD12 ILE A 15 -2.672 10.105 -3.699 1.00 0.36 H new ATOM 0 HD13 ILE A 15 -3.621 11.168 -2.632 1.00 0.36 H new ATOM 222 N HIS A 16 -4.935 7.482 0.313 1.00 0.60 N ATOM 223 CA HIS A 16 -4.417 6.526 1.272 1.00 0.55 C ATOM 224 C HIS A 16 -5.607 5.715 1.776 1.00 0.66 C ATOM 225 O HIS A 16 -5.662 4.492 1.667 1.00 0.68 O ATOM 226 CB HIS A 16 -3.699 7.319 2.381 1.00 0.59 C ATOM 227 CG HIS A 16 -3.095 6.561 3.532 1.00 0.51 C ATOM 228 ND1 HIS A 16 -1.832 6.800 4.039 1.00 0.64 N ATOM 229 CD2 HIS A 16 -3.720 5.657 4.343 1.00 0.77 C ATOM 230 CE1 HIS A 16 -1.661 5.975 5.093 1.00 0.55 C ATOM 231 NE2 HIS A 16 -2.802 5.291 5.311 1.00 0.69 N ATOM 0 H HIS A 16 -4.808 8.452 0.602 1.00 0.60 H new ATOM 0 HA HIS A 16 -3.691 5.831 0.851 1.00 0.55 H new ATOM 0 HB2 HIS A 16 -2.903 7.898 1.912 1.00 0.59 H new ATOM 0 HB3 HIS A 16 -4.413 8.033 2.793 1.00 0.59 H new ATOM 0 HD1 HIS A 16 -1.155 7.475 3.683 1.00 0.64 H new ATOM 0 HD2 HIS A 16 -4.734 5.298 4.247 1.00 0.77 H new ATOM 0 HE1 HIS A 16 -0.754 5.878 5.671 1.00 0.55 H new ATOM 240 N GLU A 17 -6.589 6.418 2.332 1.00 0.75 N ATOM 241 CA GLU A 17 -7.826 5.853 2.824 1.00 0.86 C ATOM 242 C GLU A 17 -8.551 5.112 1.716 1.00 0.88 C ATOM 243 O GLU A 17 -9.166 4.105 2.016 1.00 0.93 O ATOM 244 CB GLU A 17 -8.718 6.931 3.449 1.00 0.92 C ATOM 245 CG GLU A 17 -8.147 7.348 4.808 1.00 1.01 C ATOM 246 CD GLU A 17 -9.091 8.296 5.544 1.00 1.45 C ATOM 247 OE1 GLU A 17 -9.055 9.507 5.232 1.00 1.81 O ATOM 248 OE2 GLU A 17 -9.827 7.793 6.421 1.00 2.96 O ATOM 0 H GLU A 17 -6.537 7.429 2.453 1.00 0.75 H new ATOM 0 HA GLU A 17 -7.584 5.136 3.608 1.00 0.86 H new ATOM 0 HB2 GLU A 17 -8.778 7.796 2.788 1.00 0.92 H new ATOM 0 HB3 GLU A 17 -9.733 6.552 3.571 1.00 0.92 H new ATOM 0 HG2 GLU A 17 -7.971 6.462 5.418 1.00 1.01 H new ATOM 0 HG3 GLU A 17 -7.181 7.833 4.665 1.00 1.01 H new ATOM 255 N PHE A 18 -8.459 5.529 0.454 1.00 0.86 N ATOM 256 CA PHE A 18 -9.041 4.781 -0.655 1.00 0.91 C ATOM 257 C PHE A 18 -8.501 3.354 -0.663 1.00 0.84 C ATOM 258 O PHE A 18 -9.277 2.401 -0.697 1.00 0.88 O ATOM 259 CB PHE A 18 -8.764 5.510 -1.979 1.00 0.95 C ATOM 260 CG PHE A 18 -9.772 5.237 -3.074 1.00 1.41 C ATOM 261 CD1 PHE A 18 -9.749 4.021 -3.782 1.00 2.72 C ATOM 262 CD2 PHE A 18 -10.733 6.215 -3.393 1.00 1.77 C ATOM 263 CE1 PHE A 18 -10.687 3.786 -4.803 1.00 3.21 C ATOM 264 CE2 PHE A 18 -11.671 5.978 -4.412 1.00 2.09 C ATOM 265 CZ PHE A 18 -11.651 4.762 -5.116 1.00 2.48 C ATOM 0 H PHE A 18 -7.983 6.387 0.175 1.00 0.86 H new ATOM 0 HA PHE A 18 -10.122 4.721 -0.531 1.00 0.91 H new ATOM 0 HB2 PHE A 18 -8.737 6.583 -1.788 1.00 0.95 H new ATOM 0 HB3 PHE A 18 -7.774 5.224 -2.335 1.00 0.95 H new ATOM 0 HD1 PHE A 18 -9.012 3.269 -3.542 1.00 2.72 H new ATOM 0 HD2 PHE A 18 -10.749 7.150 -2.853 1.00 1.77 H new ATOM 0 HE1 PHE A 18 -10.667 2.854 -5.348 1.00 3.21 H new ATOM 0 HE2 PHE A 18 -12.407 6.730 -4.654 1.00 2.09 H new ATOM 0 HZ PHE A 18 -12.374 4.577 -5.896 1.00 2.48 H new ATOM 275 N GLY A 19 -7.178 3.196 -0.582 1.00 0.76 N ATOM 276 CA GLY A 19 -6.576 1.880 -0.442 1.00 0.71 C ATOM 277 C GLY A 19 -7.200 1.105 0.715 1.00 0.65 C ATOM 278 O GLY A 19 -7.555 -0.065 0.583 1.00 0.64 O ATOM 0 H GLY A 19 -6.509 3.965 -0.611 1.00 0.76 H new ATOM 0 HA2 GLY A 19 -6.703 1.319 -1.368 1.00 0.71 H new ATOM 0 HA3 GLY A 19 -5.504 1.984 -0.276 1.00 0.71 H new ATOM 282 N HIS A 20 -7.341 1.752 1.873 1.00 0.64 N ATOM 283 CA HIS A 20 -7.810 1.077 3.070 1.00 0.59 C ATOM 284 C HIS A 20 -9.253 0.614 2.926 1.00 0.57 C ATOM 285 O HIS A 20 -9.555 -0.535 3.215 1.00 0.61 O ATOM 286 CB HIS A 20 -7.630 1.992 4.287 1.00 0.65 C ATOM 287 CG HIS A 20 -7.499 1.247 5.590 1.00 0.77 C ATOM 288 ND1 HIS A 20 -6.562 1.515 6.569 1.00 0.57 N ATOM 289 CD2 HIS A 20 -8.254 0.183 6.004 1.00 1.84 C ATOM 290 CE1 HIS A 20 -6.758 0.636 7.567 1.00 1.00 C ATOM 291 NE2 HIS A 20 -7.778 -0.187 7.246 1.00 1.96 N ATOM 0 H HIS A 20 -7.135 2.743 2.001 1.00 0.64 H new ATOM 0 HA HIS A 20 -7.209 0.180 3.218 1.00 0.59 H new ATOM 0 HB2 HIS A 20 -6.743 2.608 4.140 1.00 0.65 H new ATOM 0 HB3 HIS A 20 -8.481 2.670 4.350 1.00 0.65 H new ATOM 0 HD2 HIS A 20 -9.067 -0.279 5.463 1.00 1.84 H new ATOM 0 HE1 HIS A 20 -6.188 0.595 8.483 1.00 1.00 H new ATOM 0 HE2 HIS A 20 -8.135 -0.950 7.821 1.00 1.96 H new ATOM 300 N ALA A 21 -10.157 1.496 2.514 1.00 0.58 N ATOM 301 CA ALA A 21 -11.565 1.213 2.345 1.00 0.60 C ATOM 302 C ALA A 21 -11.741 0.060 1.366 1.00 0.62 C ATOM 303 O ALA A 21 -12.677 -0.723 1.499 1.00 0.66 O ATOM 304 CB ALA A 21 -12.287 2.472 1.861 1.00 0.68 C ATOM 0 H ALA A 21 -9.914 2.459 2.282 1.00 0.58 H new ATOM 0 HA ALA A 21 -12.002 0.917 3.299 1.00 0.60 H new ATOM 0 HB1 ALA A 21 -13.348 2.257 1.734 1.00 0.68 H new ATOM 0 HB2 ALA A 21 -12.163 3.268 2.596 1.00 0.68 H new ATOM 0 HB3 ALA A 21 -11.865 2.790 0.908 1.00 0.68 H new ATOM 310 N VAL A 22 -10.837 -0.081 0.393 1.00 0.64 N ATOM 311 CA VAL A 22 -10.908 -1.258 -0.461 1.00 0.72 C ATOM 312 C VAL A 22 -10.576 -2.517 0.321 1.00 0.64 C ATOM 313 O VAL A 22 -11.309 -3.502 0.232 1.00 0.71 O ATOM 314 CB VAL A 22 -10.045 -1.082 -1.723 1.00 0.86 C ATOM 315 CG1 VAL A 22 -9.969 -2.366 -2.558 1.00 0.97 C ATOM 316 CG2 VAL A 22 -10.653 0.010 -2.604 1.00 1.05 C ATOM 0 H VAL A 22 -10.083 0.574 0.186 1.00 0.64 H new ATOM 0 HA VAL A 22 -11.934 -1.374 -0.810 1.00 0.72 H new ATOM 0 HB VAL A 22 -9.041 -0.819 -1.391 1.00 0.86 H new ATOM 0 HG11 VAL A 22 -9.349 -2.192 -3.438 1.00 0.97 H new ATOM 0 HG12 VAL A 22 -9.532 -3.165 -1.959 1.00 0.97 H new ATOM 0 HG13 VAL A 22 -10.972 -2.656 -2.872 1.00 0.97 H new ATOM 0 HG21 VAL A 22 -10.044 0.137 -3.499 1.00 1.05 H new ATOM 0 HG22 VAL A 22 -11.665 -0.276 -2.892 1.00 1.05 H new ATOM 0 HG23 VAL A 22 -10.685 0.948 -2.051 1.00 1.05 H new ATOM 326 N ASP A 23 -9.514 -2.486 1.119 1.00 0.58 N ATOM 327 CA ASP A 23 -9.181 -3.609 1.982 1.00 0.56 C ATOM 328 C ASP A 23 -10.309 -3.915 2.966 1.00 0.44 C ATOM 329 O ASP A 23 -10.488 -5.054 3.394 1.00 0.47 O ATOM 330 CB ASP A 23 -7.879 -3.316 2.736 1.00 0.70 C ATOM 331 CG ASP A 23 -7.161 -4.616 3.078 1.00 0.97 C ATOM 332 OD1 ASP A 23 -6.600 -5.213 2.137 1.00 2.18 O ATOM 333 OD2 ASP A 23 -7.205 -5.016 4.262 1.00 1.79 O ATOM 0 H ASP A 23 -8.872 -1.696 1.185 1.00 0.58 H new ATOM 0 HA ASP A 23 -9.045 -4.490 1.355 1.00 0.56 H new ATOM 0 HB2 ASP A 23 -7.232 -2.685 2.127 1.00 0.70 H new ATOM 0 HB3 ASP A 23 -8.096 -2.762 3.649 1.00 0.70 H new ATOM 338 N ASP A 24 -11.081 -2.888 3.318 1.00 0.46 N ATOM 339 CA ASP A 24 -12.101 -2.951 4.349 1.00 0.65 C ATOM 340 C ASP A 24 -13.286 -3.724 3.793 1.00 0.75 C ATOM 341 O ASP A 24 -13.739 -4.711 4.370 1.00 0.85 O ATOM 342 CB ASP A 24 -12.506 -1.535 4.775 1.00 0.94 C ATOM 343 CG ASP A 24 -13.508 -1.548 5.925 1.00 1.20 C ATOM 344 OD1 ASP A 24 -14.688 -1.860 5.656 1.00 1.55 O ATOM 345 OD2 ASP A 24 -13.082 -1.206 7.050 1.00 2.22 O ATOM 0 H ASP A 24 -11.008 -1.970 2.880 1.00 0.46 H new ATOM 0 HA ASP A 24 -11.722 -3.460 5.235 1.00 0.65 H new ATOM 0 HB2 ASP A 24 -11.618 -0.979 5.075 1.00 0.94 H new ATOM 0 HB3 ASP A 24 -12.939 -1.010 3.923 1.00 0.94 H new ATOM 350 N TYR A 25 -13.725 -3.318 2.603 1.00 0.83 N ATOM 351 CA TYR A 25 -14.810 -3.970 1.899 1.00 1.11 C ATOM 352 C TYR A 25 -14.440 -5.424 1.658 1.00 1.11 C ATOM 353 O TYR A 25 -15.195 -6.328 2.006 1.00 1.32 O ATOM 354 CB TYR A 25 -15.103 -3.216 0.599 1.00 1.30 C ATOM 355 CG TYR A 25 -16.431 -3.617 -0.001 1.00 1.55 C ATOM 356 CD1 TYR A 25 -17.607 -3.350 0.721 1.00 2.25 C ATOM 357 CD2 TYR A 25 -16.496 -4.292 -1.233 1.00 2.07 C ATOM 358 CE1 TYR A 25 -18.852 -3.770 0.230 1.00 2.39 C ATOM 359 CE2 TYR A 25 -17.742 -4.700 -1.742 1.00 2.51 C ATOM 360 CZ TYR A 25 -18.925 -4.444 -1.011 1.00 2.26 C ATOM 361 OH TYR A 25 -20.123 -4.867 -1.503 1.00 2.65 O ATOM 0 H TYR A 25 -13.330 -2.521 2.103 1.00 0.83 H new ATOM 0 HA TYR A 25 -15.723 -3.954 2.494 1.00 1.11 H new ATOM 0 HB2 TYR A 25 -15.102 -2.144 0.794 1.00 1.30 H new ATOM 0 HB3 TYR A 25 -14.307 -3.410 -0.120 1.00 1.30 H new ATOM 0 HD1 TYR A 25 -17.552 -2.818 1.659 1.00 2.25 H new ATOM 0 HD2 TYR A 25 -15.592 -4.497 -1.787 1.00 2.07 H new ATOM 0 HE1 TYR A 25 -19.751 -3.579 0.797 1.00 2.39 H new ATOM 0 HE2 TYR A 25 -17.795 -5.210 -2.693 1.00 2.51 H new ATOM 0 HH TYR A 25 -19.984 -5.309 -2.366 1.00 2.65 H new ATOM 371 N ALA A 26 -13.244 -5.659 1.120 1.00 0.99 N ATOM 372 CA ALA A 26 -12.724 -7.003 0.964 1.00 1.13 C ATOM 373 C ALA A 26 -12.796 -7.778 2.280 1.00 1.10 C ATOM 374 O ALA A 26 -13.151 -8.946 2.265 1.00 1.33 O ATOM 375 CB ALA A 26 -11.307 -6.935 0.401 1.00 1.15 C ATOM 0 H ALA A 26 -12.619 -4.926 0.785 1.00 0.99 H new ATOM 0 HA ALA A 26 -13.342 -7.553 0.255 1.00 1.13 H new ATOM 0 HB1 ALA A 26 -10.914 -7.945 0.283 1.00 1.15 H new ATOM 0 HB2 ALA A 26 -11.324 -6.436 -0.568 1.00 1.15 H new ATOM 0 HB3 ALA A 26 -10.670 -6.375 1.086 1.00 1.15 H new ATOM 381 N GLY A 27 -12.500 -7.148 3.415 1.00 0.90 N ATOM 382 CA GLY A 27 -12.461 -7.811 4.708 1.00 0.94 C ATOM 383 C GLY A 27 -13.842 -8.102 5.282 1.00 1.27 C ATOM 384 O GLY A 27 -13.984 -8.986 6.121 1.00 1.77 O ATOM 0 H GLY A 27 -12.279 -6.153 3.459 1.00 0.90 H new ATOM 0 HA2 GLY A 27 -11.912 -8.747 4.611 1.00 0.94 H new ATOM 0 HA3 GLY A 27 -11.908 -7.188 5.411 1.00 0.94 H new ATOM 388 N TYR A 28 -14.865 -7.340 4.889 1.00 1.20 N ATOM 389 CA TYR A 28 -16.213 -7.599 5.373 1.00 1.52 C ATOM 390 C TYR A 28 -16.852 -8.714 4.544 1.00 1.66 C ATOM 391 O TYR A 28 -17.577 -9.553 5.072 1.00 1.85 O ATOM 392 CB TYR A 28 -17.047 -6.308 5.373 1.00 1.79 C ATOM 393 CG TYR A 28 -18.028 -6.264 6.532 1.00 2.04 C ATOM 394 CD1 TYR A 28 -19.145 -7.120 6.552 1.00 2.18 C ATOM 395 CD2 TYR A 28 -17.781 -5.412 7.626 1.00 2.28 C ATOM 396 CE1 TYR A 28 -20.015 -7.130 7.657 1.00 2.47 C ATOM 397 CE2 TYR A 28 -18.645 -5.415 8.735 1.00 2.62 C ATOM 398 CZ TYR A 28 -19.765 -6.276 8.757 1.00 2.68 C ATOM 399 OH TYR A 28 -20.589 -6.281 9.843 1.00 3.04 O ATOM 0 H TYR A 28 -14.784 -6.552 4.247 1.00 1.20 H new ATOM 0 HA TYR A 28 -16.172 -7.941 6.407 1.00 1.52 H new ATOM 0 HB2 TYR A 28 -16.381 -5.447 5.428 1.00 1.79 H new ATOM 0 HB3 TYR A 28 -17.593 -6.229 4.433 1.00 1.79 H new ATOM 0 HD1 TYR A 28 -19.335 -7.773 5.713 1.00 2.18 H new ATOM 0 HD2 TYR A 28 -16.925 -4.754 7.613 1.00 2.28 H new ATOM 0 HE1 TYR A 28 -20.872 -7.788 7.666 1.00 2.47 H new ATOM 0 HE2 TYR A 28 -18.452 -4.759 9.571 1.00 2.62 H new ATOM 0 HH TYR A 28 -20.265 -5.633 10.503 1.00 3.04 H new ATOM 409 N LEU A 29 -16.618 -8.699 3.230 1.00 1.66 N ATOM 410 CA LEU A 29 -17.185 -9.644 2.285 1.00 1.90 C ATOM 411 C LEU A 29 -16.439 -10.969 2.252 1.00 1.90 C ATOM 412 O LEU A 29 -17.038 -11.985 1.905 1.00 2.09 O ATOM 413 CB LEU A 29 -17.143 -9.032 0.883 1.00 2.00 C ATOM 414 CG LEU A 29 -18.254 -7.999 0.613 1.00 2.14 C ATOM 415 CD1 LEU A 29 -19.611 -8.691 0.698 1.00 2.54 C ATOM 416 CD2 LEU A 29 -18.352 -6.804 1.559 1.00 1.99 C ATOM 0 H LEU A 29 -16.011 -8.008 2.789 1.00 1.66 H new ATOM 0 HA LEU A 29 -18.206 -9.846 2.608 1.00 1.90 H new ATOM 0 HB2 LEU A 29 -16.174 -8.554 0.736 1.00 2.00 H new ATOM 0 HB3 LEU A 29 -17.219 -9.832 0.147 1.00 2.00 H new ATOM 0 HG LEU A 29 -17.986 -7.605 -0.367 1.00 2.14 H new ATOM 0 HD11 LEU A 29 -20.402 -7.965 0.508 1.00 2.54 H new ATOM 0 HD12 LEU A 29 -19.661 -9.486 -0.046 1.00 2.54 H new ATOM 0 HD13 LEU A 29 -19.741 -9.117 1.693 1.00 2.54 H new ATOM 0 HD21 LEU A 29 -19.176 -6.162 1.250 1.00 1.99 H new ATOM 0 HD22 LEU A 29 -18.529 -7.158 2.575 1.00 1.99 H new ATOM 0 HD23 LEU A 29 -17.421 -6.239 1.529 1.00 1.99 H new ATOM 428 N LEU A 30 -15.133 -10.961 2.515 1.00 1.74 N ATOM 429 CA LEU A 30 -14.285 -12.119 2.313 1.00 1.83 C ATOM 430 C LEU A 30 -13.623 -12.415 3.654 1.00 1.77 C ATOM 431 O LEU A 30 -13.101 -11.499 4.284 1.00 2.22 O ATOM 432 CB LEU A 30 -13.225 -11.868 1.229 1.00 1.84 C ATOM 433 CG LEU A 30 -13.804 -11.364 -0.103 1.00 2.01 C ATOM 434 CD1 LEU A 30 -12.741 -10.571 -0.855 1.00 1.93 C ATOM 435 CD2 LEU A 30 -14.275 -12.527 -0.981 1.00 2.37 C ATOM 0 H LEU A 30 -14.638 -10.145 2.875 1.00 1.74 H new ATOM 0 HA LEU A 30 -14.879 -12.965 1.967 1.00 1.83 H new ATOM 0 HB2 LEU A 30 -12.505 -11.138 1.600 1.00 1.84 H new ATOM 0 HB3 LEU A 30 -12.677 -12.793 1.049 1.00 1.84 H new ATOM 0 HG LEU A 30 -14.661 -10.729 0.121 1.00 2.01 H new ATOM 0 HD11 LEU A 30 -13.153 -10.214 -1.799 1.00 1.93 H new ATOM 0 HD12 LEU A 30 -12.427 -9.719 -0.251 1.00 1.93 H new ATOM 0 HD13 LEU A 30 -11.882 -11.211 -1.053 1.00 1.93 H new ATOM 0 HD21 LEU A 30 -14.679 -12.137 -1.915 1.00 2.37 H new ATOM 0 HD22 LEU A 30 -13.433 -13.185 -1.196 1.00 2.37 H new ATOM 0 HD23 LEU A 30 -15.049 -13.088 -0.457 1.00 2.37 H new ATOM 447 N ASP A 31 -13.632 -13.679 4.081 1.00 2.02 N ATOM 448 CA ASP A 31 -13.235 -14.068 5.434 1.00 2.20 C ATOM 449 C ASP A 31 -14.251 -13.502 6.438 1.00 2.51 C ATOM 450 O ASP A 31 -15.410 -13.296 6.075 1.00 3.23 O ATOM 451 CB ASP A 31 -11.768 -13.684 5.707 1.00 2.73 C ATOM 452 CG ASP A 31 -11.102 -14.707 6.624 1.00 3.67 C ATOM 453 OD1 ASP A 31 -11.424 -14.688 7.832 1.00 4.19 O ATOM 454 OD2 ASP A 31 -10.318 -15.525 6.098 1.00 4.55 O ATOM 0 H ASP A 31 -13.916 -14.464 3.495 1.00 2.02 H new ATOM 0 HA ASP A 31 -13.259 -15.152 5.550 1.00 2.20 H new ATOM 0 HB2 ASP A 31 -11.222 -13.623 4.766 1.00 2.73 H new ATOM 0 HB3 ASP A 31 -11.725 -12.696 6.165 1.00 2.73 H new ATOM 459 N LYS A 32 -13.882 -13.282 7.702 1.00 3.14 N ATOM 460 CA LYS A 32 -14.735 -12.597 8.665 1.00 4.49 C ATOM 461 C LYS A 32 -13.824 -11.852 9.635 1.00 4.57 C ATOM 462 O LYS A 32 -12.606 -11.987 9.575 1.00 4.76 O ATOM 463 CB LYS A 32 -15.662 -13.616 9.358 1.00 5.90 C ATOM 464 CG LYS A 32 -16.867 -12.948 10.045 1.00 7.65 C ATOM 465 CD LYS A 32 -16.791 -12.987 11.578 1.00 9.13 C ATOM 466 CE LYS A 32 -17.728 -11.919 12.152 1.00 10.56 C ATOM 467 NZ LYS A 32 -17.705 -11.899 13.630 1.00 11.96 N ATOM 0 H LYS A 32 -12.982 -13.575 8.083 1.00 3.14 H new ATOM 0 HA LYS A 32 -15.392 -11.871 8.185 1.00 4.49 H new ATOM 0 HB2 LYS A 32 -16.021 -14.335 8.621 1.00 5.90 H new ATOM 0 HB3 LYS A 32 -15.091 -14.176 10.098 1.00 5.90 H new ATOM 0 HG2 LYS A 32 -16.934 -11.910 9.718 1.00 7.65 H new ATOM 0 HG3 LYS A 32 -17.782 -13.444 9.721 1.00 7.65 H new ATOM 0 HD2 LYS A 32 -17.076 -13.973 11.944 1.00 9.13 H new ATOM 0 HD3 LYS A 32 -15.768 -12.807 11.909 1.00 9.13 H new ATOM 0 HE2 LYS A 32 -17.438 -10.940 11.772 1.00 10.56 H new ATOM 0 HE3 LYS A 32 -18.745 -12.106 11.808 1.00 10.56 H new ATOM 0 HZ1 LYS A 32 -18.352 -11.163 13.977 1.00 11.96 H new ATOM 0 HZ2 LYS A 32 -18.007 -12.825 13.994 1.00 11.96 H new ATOM 0 HZ3 LYS A 32 -16.740 -11.695 13.959 1.00 11.96 H new ATOM 481 N ASN A 33 -14.387 -11.065 10.552 1.00 5.16 N ATOM 482 CA ASN A 33 -13.564 -10.364 11.524 1.00 5.40 C ATOM 483 C ASN A 33 -12.819 -11.376 12.397 1.00 4.40 C ATOM 484 O ASN A 33 -13.412 -11.970 13.300 1.00 5.05 O ATOM 485 CB ASN A 33 -14.399 -9.403 12.380 1.00 7.17 C ATOM 486 CG ASN A 33 -13.472 -8.395 13.048 1.00 7.84 C ATOM 487 OD1 ASN A 33 -12.609 -7.831 12.391 1.00 7.87 O ATOM 488 ND2 ASN A 33 -13.618 -8.142 14.341 1.00 8.86 N ATOM 0 H ASN A 33 -15.390 -10.902 10.638 1.00 5.16 H new ATOM 0 HA ASN A 33 -12.834 -9.759 10.986 1.00 5.40 H new ATOM 0 HB2 ASN A 33 -15.131 -8.886 11.759 1.00 7.17 H new ATOM 0 HB3 ASN A 33 -14.956 -9.959 13.134 1.00 7.17 H new ATOM 0 HD21 ASN A 33 -13.006 -7.469 14.801 1.00 8.86 H new ATOM 0 HD22 ASN A 33 -14.343 -8.621 14.876 1.00 8.86 H new ATOM 495 N GLN A 34 -11.537 -11.590 12.103 1.00 4.10 N ATOM 496 CA GLN A 34 -10.670 -12.555 12.767 1.00 4.58 C ATOM 497 C GLN A 34 -9.357 -11.884 13.174 1.00 4.74 C ATOM 498 O GLN A 34 -8.834 -12.170 14.247 1.00 5.70 O ATOM 499 CB GLN A 34 -10.406 -13.759 11.842 1.00 5.53 C ATOM 500 CG GLN A 34 -10.620 -15.106 12.546 1.00 6.77 C ATOM 501 CD GLN A 34 -12.047 -15.639 12.409 1.00 7.25 C ATOM 502 OE1 GLN A 34 -12.258 -16.764 11.977 1.00 7.97 O ATOM 503 NE2 GLN A 34 -13.063 -14.876 12.793 1.00 7.47 N ATOM 0 H GLN A 34 -11.058 -11.074 11.366 1.00 4.10 H new ATOM 0 HA GLN A 34 -11.165 -12.919 13.667 1.00 4.58 H new ATOM 0 HB2 GLN A 34 -11.065 -13.698 10.976 1.00 5.53 H new ATOM 0 HB3 GLN A 34 -9.383 -13.707 11.469 1.00 5.53 H new ATOM 0 HG2 GLN A 34 -9.925 -15.838 12.134 1.00 6.77 H new ATOM 0 HG3 GLN A 34 -10.380 -14.998 13.604 1.00 6.77 H new ATOM 0 HE21 GLN A 34 -12.889 -13.938 13.153 1.00 7.47 H new ATOM 0 HE22 GLN A 34 -14.018 -15.228 12.728 1.00 7.47 H new ATOM 512 N SER A 35 -8.822 -11.000 12.325 1.00 4.34 N ATOM 513 CA SER A 35 -7.605 -10.259 12.613 1.00 4.88 C ATOM 514 C SER A 35 -7.845 -8.784 12.280 1.00 4.54 C ATOM 515 O SER A 35 -8.247 -8.032 13.164 1.00 5.46 O ATOM 516 CB SER A 35 -6.424 -10.912 11.880 1.00 5.73 C ATOM 517 OG SER A 35 -5.196 -10.508 12.446 1.00 6.90 O ATOM 0 H SER A 35 -9.229 -10.783 11.415 1.00 4.34 H new ATOM 0 HA SER A 35 -7.339 -10.293 13.669 1.00 4.88 H new ATOM 0 HB2 SER A 35 -6.514 -11.997 11.932 1.00 5.73 H new ATOM 0 HB3 SER A 35 -6.450 -10.640 10.825 1.00 5.73 H new ATOM 0 HG SER A 35 -4.457 -10.937 11.965 1.00 6.90 H new ATOM 523 N ASP A 36 -7.669 -8.367 11.024 1.00 4.01 N ATOM 524 CA ASP A 36 -7.945 -7.006 10.580 1.00 4.01 C ATOM 525 C ASP A 36 -8.326 -7.106 9.106 1.00 2.95 C ATOM 526 O ASP A 36 -7.473 -7.441 8.292 1.00 3.86 O ATOM 527 CB ASP A 36 -6.692 -6.134 10.791 1.00 5.59 C ATOM 528 CG ASP A 36 -6.881 -4.659 10.416 1.00 6.52 C ATOM 529 OD1 ASP A 36 -7.955 -4.319 9.874 1.00 6.65 O ATOM 530 OD2 ASP A 36 -5.947 -3.871 10.709 1.00 7.62 O ATOM 0 H ASP A 36 -7.326 -8.975 10.280 1.00 4.01 H new ATOM 0 HA ASP A 36 -8.754 -6.541 11.144 1.00 4.01 H new ATOM 0 HB2 ASP A 36 -6.392 -6.196 11.837 1.00 5.59 H new ATOM 0 HB3 ASP A 36 -5.873 -6.545 10.200 1.00 5.59 H new ATOM 535 N LEU A 37 -9.603 -6.890 8.772 1.00 2.08 N ATOM 536 CA LEU A 37 -10.132 -6.906 7.405 1.00 1.72 C ATOM 537 C LEU A 37 -9.583 -8.083 6.571 1.00 1.74 C ATOM 538 O LEU A 37 -9.482 -9.189 7.097 1.00 2.10 O ATOM 539 CB LEU A 37 -9.894 -5.529 6.770 1.00 1.59 C ATOM 540 CG LEU A 37 -10.569 -4.386 7.540 1.00 1.69 C ATOM 541 CD1 LEU A 37 -10.005 -3.047 7.050 1.00 2.36 C ATOM 542 CD2 LEU A 37 -12.098 -4.521 7.522 1.00 3.78 C ATOM 0 H LEU A 37 -10.320 -6.693 9.470 1.00 2.08 H new ATOM 0 HA LEU A 37 -11.207 -7.085 7.432 1.00 1.72 H new ATOM 0 HB2 LEU A 37 -8.822 -5.340 6.718 1.00 1.59 H new ATOM 0 HB3 LEU A 37 -10.266 -5.539 5.746 1.00 1.59 H new ATOM 0 HG LEU A 37 -10.329 -4.438 8.602 1.00 1.69 H new ATOM 0 HD11 LEU A 37 -10.481 -2.231 7.594 1.00 2.36 H new ATOM 0 HD12 LEU A 37 -8.929 -3.020 7.224 1.00 2.36 H new ATOM 0 HD13 LEU A 37 -10.203 -2.937 5.984 1.00 2.36 H new ATOM 0 HD21 LEU A 37 -12.543 -3.695 8.077 1.00 3.78 H new ATOM 0 HD22 LEU A 37 -12.453 -4.499 6.492 1.00 3.78 H new ATOM 0 HD23 LEU A 37 -12.385 -5.465 7.985 1.00 3.78 H new ATOM 554 N VAL A 38 -9.292 -7.893 5.275 1.00 1.58 N ATOM 555 CA VAL A 38 -8.736 -8.967 4.449 1.00 1.69 C ATOM 556 C VAL A 38 -7.212 -9.008 4.605 1.00 1.83 C ATOM 557 O VAL A 38 -6.634 -10.098 4.642 1.00 2.72 O ATOM 558 CB VAL A 38 -9.181 -8.830 2.975 1.00 1.66 C ATOM 559 CG1 VAL A 38 -8.445 -7.723 2.217 1.00 1.73 C ATOM 560 CG2 VAL A 38 -8.998 -10.150 2.222 1.00 1.90 C ATOM 0 H VAL A 38 -9.432 -7.011 4.782 1.00 1.58 H new ATOM 0 HA VAL A 38 -9.129 -9.923 4.795 1.00 1.69 H new ATOM 0 HB VAL A 38 -10.236 -8.560 3.015 1.00 1.66 H new ATOM 0 HG11 VAL A 38 -8.807 -7.683 1.190 1.00 1.73 H new ATOM 0 HG12 VAL A 38 -8.628 -6.765 2.704 1.00 1.73 H new ATOM 0 HG13 VAL A 38 -7.375 -7.931 2.217 1.00 1.73 H new ATOM 0 HG21 VAL A 38 -9.318 -10.026 1.188 1.00 1.90 H new ATOM 0 HG22 VAL A 38 -7.947 -10.439 2.244 1.00 1.90 H new ATOM 0 HG23 VAL A 38 -9.598 -10.926 2.697 1.00 1.90 H new ATOM 570 N THR A 39 -6.590 -7.821 4.677 1.00 1.61 N ATOM 571 CA THR A 39 -5.158 -7.547 4.756 1.00 1.76 C ATOM 572 C THR A 39 -4.299 -8.445 3.851 1.00 2.33 C ATOM 573 O THR A 39 -4.790 -9.080 2.912 1.00 3.60 O ATOM 574 CB THR A 39 -4.725 -7.503 6.233 1.00 2.03 C ATOM 575 OG1 THR A 39 -5.277 -8.569 6.973 1.00 3.41 O ATOM 576 CG2 THR A 39 -5.143 -6.167 6.854 1.00 2.04 C ATOM 0 H THR A 39 -7.130 -6.956 4.681 1.00 1.61 H new ATOM 0 HA THR A 39 -4.971 -6.559 4.335 1.00 1.76 H new ATOM 0 HB THR A 39 -3.640 -7.604 6.266 1.00 2.03 H new ATOM 0 HG1 THR A 39 -6.050 -8.248 7.483 1.00 3.41 H new ATOM 0 HG21 THR A 39 -4.835 -6.139 7.899 1.00 2.04 H new ATOM 0 HG22 THR A 39 -4.666 -5.349 6.313 1.00 2.04 H new ATOM 0 HG23 THR A 39 -6.226 -6.060 6.792 1.00 2.04 H new ATOM 584 N ASN A 40 -2.978 -8.456 4.050 1.00 2.59 N ATOM 585 CA ASN A 40 -2.088 -9.288 3.258 1.00 3.62 C ATOM 586 C ASN A 40 -2.218 -10.743 3.700 1.00 2.89 C ATOM 587 O ASN A 40 -1.448 -11.271 4.507 1.00 3.32 O ATOM 588 CB ASN A 40 -0.649 -8.784 3.339 1.00 5.19 C ATOM 589 CG ASN A 40 0.359 -9.828 2.884 1.00 6.21 C ATOM 590 OD1 ASN A 40 0.101 -10.680 2.037 1.00 6.60 O ATOM 591 ND2 ASN A 40 1.546 -9.790 3.468 1.00 7.08 N ATOM 0 H ASN A 40 -2.506 -7.893 4.758 1.00 2.59 H new ATOM 0 HA ASN A 40 -2.377 -9.228 2.209 1.00 3.62 H new ATOM 0 HB2 ASN A 40 -0.545 -7.890 2.724 1.00 5.19 H new ATOM 0 HB3 ASN A 40 -0.427 -8.492 4.365 1.00 5.19 H new ATOM 0 HD21 ASN A 40 2.260 -10.473 3.217 1.00 7.08 H new ATOM 0 HD22 ASN A 40 1.747 -9.077 4.169 1.00 7.08 H new ATOM 598 N SER A 41 -3.170 -11.418 3.073 1.00 2.44 N ATOM 599 CA SER A 41 -3.483 -12.812 3.302 1.00 2.01 C ATOM 600 C SER A 41 -2.809 -13.698 2.243 1.00 2.22 C ATOM 601 O SER A 41 -3.248 -14.820 2.011 1.00 2.99 O ATOM 602 CB SER A 41 -5.017 -12.933 3.335 1.00 2.19 C ATOM 603 OG SER A 41 -5.631 -11.985 2.474 1.00 3.40 O ATOM 0 H SER A 41 -3.766 -10.989 2.365 1.00 2.44 H new ATOM 0 HA SER A 41 -3.089 -13.167 4.254 1.00 2.01 H new ATOM 0 HB2 SER A 41 -5.310 -13.940 3.038 1.00 2.19 H new ATOM 0 HB3 SER A 41 -5.373 -12.785 4.354 1.00 2.19 H new ATOM 0 HG SER A 41 -6.058 -11.284 3.010 1.00 3.40 H new ATOM 609 N LYS A 42 -1.719 -13.237 1.607 1.00 2.91 N ATOM 610 CA LYS A 42 -1.056 -14.013 0.556 1.00 3.29 C ATOM 611 C LYS A 42 -0.106 -15.044 1.158 1.00 2.86 C ATOM 612 O LYS A 42 -0.407 -16.231 1.188 1.00 3.16 O ATOM 613 CB LYS A 42 -0.347 -13.080 -0.438 1.00 4.05 C ATOM 614 CG LYS A 42 0.279 -13.849 -1.613 1.00 5.04 C ATOM 615 CD LYS A 42 1.790 -13.607 -1.719 1.00 6.16 C ATOM 616 CE LYS A 42 2.403 -14.636 -2.675 1.00 7.04 C ATOM 617 NZ LYS A 42 3.876 -14.519 -2.750 1.00 8.28 N ATOM 0 H LYS A 42 -1.284 -12.336 1.804 1.00 2.91 H new ATOM 0 HA LYS A 42 -1.813 -14.565 -0.001 1.00 3.29 H new ATOM 0 HB2 LYS A 42 -1.061 -12.352 -0.822 1.00 4.05 H new ATOM 0 HB3 LYS A 42 0.430 -12.521 0.083 1.00 4.05 H new ATOM 0 HG2 LYS A 42 0.091 -14.915 -1.490 1.00 5.04 H new ATOM 0 HG3 LYS A 42 -0.203 -13.546 -2.542 1.00 5.04 H new ATOM 0 HD2 LYS A 42 1.983 -12.597 -2.081 1.00 6.16 H new ATOM 0 HD3 LYS A 42 2.252 -13.687 -0.735 1.00 6.16 H new ATOM 0 HE2 LYS A 42 2.136 -15.640 -2.346 1.00 7.04 H new ATOM 0 HE3 LYS A 42 1.978 -14.504 -3.670 1.00 7.04 H new ATOM 0 HZ1 LYS A 42 4.248 -15.234 -3.408 1.00 8.28 H new ATOM 0 HZ2 LYS A 42 4.132 -13.570 -3.089 1.00 8.28 H new ATOM 0 HZ3 LYS A 42 4.285 -14.671 -1.806 1.00 8.28 H new ATOM 631 N LYS A 43 1.076 -14.616 1.612 1.00 3.03 N ATOM 632 CA LYS A 43 2.072 -15.535 2.166 1.00 2.94 C ATOM 633 C LYS A 43 1.990 -15.559 3.696 1.00 2.36 C ATOM 634 O LYS A 43 2.785 -16.254 4.324 1.00 3.22 O ATOM 635 CB LYS A 43 3.460 -15.171 1.607 1.00 3.58 C ATOM 636 CG LYS A 43 4.642 -16.083 1.975 1.00 4.47 C ATOM 637 CD LYS A 43 4.456 -17.555 1.570 1.00 5.03 C ATOM 638 CE LYS A 43 3.755 -18.427 2.623 1.00 5.90 C ATOM 639 NZ LYS A 43 4.469 -18.421 3.919 1.00 6.88 N ATOM 0 H LYS A 43 1.366 -13.638 1.606 1.00 3.03 H new ATOM 0 HA LYS A 43 1.870 -16.560 1.855 1.00 2.94 H new ATOM 0 HB2 LYS A 43 3.386 -15.141 0.520 1.00 3.58 H new ATOM 0 HB3 LYS A 43 3.700 -14.161 1.938 1.00 3.58 H new ATOM 0 HG2 LYS A 43 5.544 -15.699 1.499 1.00 4.47 H new ATOM 0 HG3 LYS A 43 4.803 -16.032 3.052 1.00 4.47 H new ATOM 0 HD2 LYS A 43 3.881 -17.593 0.645 1.00 5.03 H new ATOM 0 HD3 LYS A 43 5.434 -17.985 1.355 1.00 5.03 H new ATOM 0 HE2 LYS A 43 2.736 -18.068 2.770 1.00 5.90 H new ATOM 0 HE3 LYS A 43 3.682 -19.450 2.255 1.00 5.90 H new ATOM 0 HZ1 LYS A 43 4.302 -19.322 4.412 1.00 6.88 H new ATOM 0 HZ2 LYS A 43 5.489 -18.301 3.753 1.00 6.88 H new ATOM 0 HZ3 LYS A 43 4.119 -17.636 4.505 1.00 6.88 H new ATOM 653 N PHE A 44 0.997 -14.866 4.274 1.00 1.82 N ATOM 654 CA PHE A 44 0.636 -14.865 5.685 1.00 1.62 C ATOM 655 C PHE A 44 1.515 -13.839 6.405 1.00 1.36 C ATOM 656 O PHE A 44 2.575 -14.188 6.910 1.00 1.97 O ATOM 657 CB PHE A 44 0.701 -16.288 6.286 1.00 2.30 C ATOM 658 CG PHE A 44 -0.270 -16.608 7.410 1.00 2.78 C ATOM 659 CD1 PHE A 44 -0.833 -15.604 8.223 1.00 3.65 C ATOM 660 CD2 PHE A 44 -0.626 -17.954 7.630 1.00 3.57 C ATOM 661 CE1 PHE A 44 -1.744 -15.946 9.237 1.00 4.65 C ATOM 662 CE2 PHE A 44 -1.538 -18.294 8.643 1.00 4.43 C ATOM 663 CZ PHE A 44 -2.101 -17.289 9.447 1.00 4.79 C ATOM 0 H PHE A 44 0.391 -14.255 3.726 1.00 1.82 H new ATOM 0 HA PHE A 44 -0.403 -14.563 5.817 1.00 1.62 H new ATOM 0 HB2 PHE A 44 0.534 -17.004 5.481 1.00 2.30 H new ATOM 0 HB3 PHE A 44 1.713 -16.454 6.655 1.00 2.30 H new ATOM 0 HD1 PHE A 44 -0.564 -14.570 8.067 1.00 3.65 H new ATOM 0 HD2 PHE A 44 -0.194 -18.730 7.015 1.00 3.57 H new ATOM 0 HE1 PHE A 44 -2.172 -15.173 9.858 1.00 4.65 H new ATOM 0 HE2 PHE A 44 -1.806 -19.328 8.804 1.00 4.43 H new ATOM 0 HZ PHE A 44 -2.806 -17.547 10.224 1.00 4.79 H new ATOM 673 N ILE A 45 1.071 -12.573 6.423 1.00 0.91 N ATOM 674 CA ILE A 45 1.766 -11.425 7.015 1.00 0.91 C ATOM 675 C ILE A 45 3.288 -11.478 6.790 1.00 1.03 C ATOM 676 O ILE A 45 4.083 -11.674 7.702 1.00 1.82 O ATOM 677 CB ILE A 45 1.305 -11.194 8.472 1.00 1.30 C ATOM 678 CG1 ILE A 45 1.930 -9.897 9.014 1.00 1.83 C ATOM 679 CG2 ILE A 45 1.574 -12.382 9.412 1.00 2.09 C ATOM 680 CD1 ILE A 45 1.163 -9.319 10.207 1.00 2.49 C ATOM 0 H ILE A 45 0.177 -12.312 6.006 1.00 0.91 H new ATOM 0 HA ILE A 45 1.473 -10.520 6.483 1.00 0.91 H new ATOM 0 HB ILE A 45 0.220 -11.097 8.447 1.00 1.30 H new ATOM 0 HG12 ILE A 45 2.960 -10.093 9.311 1.00 1.83 H new ATOM 0 HG13 ILE A 45 1.964 -9.155 8.216 1.00 1.83 H new ATOM 0 HG21 ILE A 45 1.222 -12.140 10.415 1.00 2.09 H new ATOM 0 HG22 ILE A 45 1.047 -13.263 9.045 1.00 2.09 H new ATOM 0 HG23 ILE A 45 2.644 -12.586 9.443 1.00 2.09 H new ATOM 0 HD11 ILE A 45 1.651 -8.405 10.545 1.00 2.49 H new ATOM 0 HD12 ILE A 45 0.140 -9.094 9.907 1.00 2.49 H new ATOM 0 HD13 ILE A 45 1.151 -10.046 11.019 1.00 2.49 H new ATOM 692 N ASP A 46 3.684 -11.267 5.533 1.00 0.78 N ATOM 693 CA ASP A 46 5.016 -11.598 5.023 1.00 0.68 C ATOM 694 C ASP A 46 5.599 -10.414 4.248 1.00 0.49 C ATOM 695 O ASP A 46 6.584 -9.817 4.669 1.00 0.51 O ATOM 696 CB ASP A 46 4.865 -12.835 4.144 1.00 0.81 C ATOM 697 CG ASP A 46 6.148 -13.176 3.396 1.00 1.09 C ATOM 698 OD1 ASP A 46 7.143 -13.487 4.081 1.00 2.14 O ATOM 699 OD2 ASP A 46 6.084 -13.145 2.147 1.00 1.99 O ATOM 0 H ASP A 46 3.075 -10.853 4.827 1.00 0.78 H new ATOM 0 HA ASP A 46 5.711 -11.807 5.836 1.00 0.68 H new ATOM 0 HB2 ASP A 46 4.572 -13.683 4.762 1.00 0.81 H new ATOM 0 HB3 ASP A 46 4.062 -12.671 3.426 1.00 0.81 H new ATOM 704 N ILE A 47 4.921 -10.000 3.174 1.00 0.42 N ATOM 705 CA ILE A 47 5.192 -8.760 2.444 1.00 0.41 C ATOM 706 C ILE A 47 5.383 -7.603 3.441 1.00 0.36 C ATOM 707 O ILE A 47 6.321 -6.819 3.374 1.00 0.37 O ATOM 708 CB ILE A 47 4.021 -8.460 1.477 1.00 0.46 C ATOM 709 CG1 ILE A 47 3.652 -9.592 0.498 1.00 0.45 C ATOM 710 CG2 ILE A 47 4.284 -7.158 0.720 1.00 0.62 C ATOM 711 CD1 ILE A 47 4.371 -9.472 -0.841 1.00 0.42 C ATOM 0 H ILE A 47 4.147 -10.533 2.778 1.00 0.42 H new ATOM 0 HA ILE A 47 6.106 -8.870 1.861 1.00 0.41 H new ATOM 0 HB ILE A 47 3.146 -8.363 2.119 1.00 0.46 H new ATOM 0 HG12 ILE A 47 3.896 -10.553 0.952 1.00 0.45 H new ATOM 0 HG13 ILE A 47 2.575 -9.584 0.329 1.00 0.45 H new ATOM 0 HG21 ILE A 47 3.454 -6.957 0.043 1.00 0.62 H new ATOM 0 HG22 ILE A 47 4.380 -6.337 1.431 1.00 0.62 H new ATOM 0 HG23 ILE A 47 5.206 -7.251 0.146 1.00 0.62 H new ATOM 0 HD11 ILE A 47 4.072 -10.296 -1.489 1.00 0.42 H new ATOM 0 HD12 ILE A 47 4.107 -8.525 -1.312 1.00 0.42 H new ATOM 0 HD13 ILE A 47 5.448 -9.509 -0.680 1.00 0.42 H new ATOM 723 N PHE A 48 4.460 -7.469 4.390 1.00 0.33 N ATOM 724 CA PHE A 48 4.529 -6.413 5.384 1.00 0.31 C ATOM 725 C PHE A 48 5.730 -6.568 6.315 1.00 0.36 C ATOM 726 O PHE A 48 6.219 -5.583 6.851 1.00 0.39 O ATOM 727 CB PHE A 48 3.222 -6.398 6.176 1.00 0.36 C ATOM 728 CG PHE A 48 3.296 -5.528 7.411 1.00 0.37 C ATOM 729 CD1 PHE A 48 3.570 -4.163 7.274 1.00 0.35 C ATOM 730 CD2 PHE A 48 3.216 -6.098 8.692 1.00 0.42 C ATOM 731 CE1 PHE A 48 3.779 -3.369 8.406 1.00 0.37 C ATOM 732 CE2 PHE A 48 3.373 -5.294 9.835 1.00 0.45 C ATOM 733 CZ PHE A 48 3.670 -3.928 9.690 1.00 0.42 C ATOM 0 H PHE A 48 3.653 -8.085 4.488 1.00 0.33 H new ATOM 0 HA PHE A 48 4.664 -5.462 4.869 1.00 0.31 H new ATOM 0 HB2 PHE A 48 2.417 -6.041 5.533 1.00 0.36 H new ATOM 0 HB3 PHE A 48 2.968 -7.417 6.469 1.00 0.36 H new ATOM 0 HD1 PHE A 48 3.620 -3.721 6.290 1.00 0.35 H new ATOM 0 HD2 PHE A 48 3.033 -7.157 8.800 1.00 0.42 H new ATOM 0 HE1 PHE A 48 4.025 -2.323 8.293 1.00 0.37 H new ATOM 0 HE2 PHE A 48 3.266 -5.724 10.820 1.00 0.45 H new ATOM 0 HZ PHE A 48 3.814 -3.310 10.564 1.00 0.42 H new ATOM 743 N LYS A 49 6.225 -7.777 6.565 1.00 0.41 N ATOM 744 CA LYS A 49 7.437 -7.873 7.362 1.00 0.46 C ATOM 745 C LYS A 49 8.597 -7.236 6.614 1.00 0.45 C ATOM 746 O LYS A 49 9.277 -6.371 7.159 1.00 0.64 O ATOM 747 CB LYS A 49 7.767 -9.326 7.741 1.00 0.56 C ATOM 748 CG LYS A 49 7.239 -9.750 9.113 1.00 0.92 C ATOM 749 CD LYS A 49 5.726 -9.557 9.275 1.00 0.88 C ATOM 750 CE LYS A 49 5.321 -8.215 9.894 1.00 0.72 C ATOM 751 NZ LYS A 49 5.871 -8.023 11.253 1.00 0.91 N ATOM 0 H LYS A 49 5.828 -8.661 6.245 1.00 0.41 H new ATOM 0 HA LYS A 49 7.268 -7.333 8.294 1.00 0.46 H new ATOM 0 HB2 LYS A 49 7.353 -9.991 6.983 1.00 0.56 H new ATOM 0 HB3 LYS A 49 8.849 -9.458 7.724 1.00 0.56 H new ATOM 0 HG2 LYS A 49 7.483 -10.799 9.278 1.00 0.92 H new ATOM 0 HG3 LYS A 49 7.755 -9.178 9.884 1.00 0.92 H new ATOM 0 HD2 LYS A 49 5.254 -9.649 8.297 1.00 0.88 H new ATOM 0 HD3 LYS A 49 5.334 -10.363 9.896 1.00 0.88 H new ATOM 0 HE2 LYS A 49 5.664 -7.405 9.250 1.00 0.72 H new ATOM 0 HE3 LYS A 49 4.234 -8.152 9.935 1.00 0.72 H new ATOM 0 HZ1 LYS A 49 5.319 -7.296 11.752 1.00 0.91 H new ATOM 0 HZ2 LYS A 49 5.818 -8.919 11.779 1.00 0.91 H new ATOM 0 HZ3 LYS A 49 6.863 -7.719 11.186 1.00 0.91 H new ATOM 765 N GLU A 50 8.839 -7.699 5.394 1.00 0.35 N ATOM 766 CA GLU A 50 10.005 -7.267 4.647 1.00 0.39 C ATOM 767 C GLU A 50 9.770 -5.838 4.155 1.00 0.35 C ATOM 768 O GLU A 50 10.369 -4.877 4.640 1.00 0.38 O ATOM 769 CB GLU A 50 10.247 -8.251 3.489 1.00 0.50 C ATOM 770 CG GLU A 50 10.726 -9.627 3.976 1.00 1.83 C ATOM 771 CD GLU A 50 12.218 -9.625 4.310 1.00 1.63 C ATOM 772 OE1 GLU A 50 12.568 -9.033 5.355 1.00 2.12 O ATOM 773 OE2 GLU A 50 12.987 -10.213 3.517 1.00 2.24 O ATOM 0 H GLU A 50 8.245 -8.370 4.906 1.00 0.35 H new ATOM 0 HA GLU A 50 10.898 -7.264 5.271 1.00 0.39 H new ATOM 0 HB2 GLU A 50 9.325 -8.371 2.920 1.00 0.50 H new ATOM 0 HB3 GLU A 50 10.989 -7.832 2.809 1.00 0.50 H new ATOM 0 HG2 GLU A 50 10.157 -9.918 4.859 1.00 1.83 H new ATOM 0 HG3 GLU A 50 10.527 -10.374 3.207 1.00 1.83 H new ATOM 780 N GLU A 51 8.869 -5.681 3.190 1.00 0.34 N ATOM 781 CA GLU A 51 8.669 -4.413 2.501 1.00 0.32 C ATOM 782 C GLU A 51 8.023 -3.390 3.431 1.00 0.28 C ATOM 783 O GLU A 51 8.319 -2.194 3.345 1.00 0.29 O ATOM 784 CB GLU A 51 7.838 -4.603 1.229 1.00 0.36 C ATOM 785 CG GLU A 51 8.633 -5.325 0.133 1.00 0.86 C ATOM 786 CD GLU A 51 8.834 -6.815 0.392 1.00 1.03 C ATOM 787 OE1 GLU A 51 7.837 -7.482 0.745 1.00 2.56 O ATOM 788 OE2 GLU A 51 9.959 -7.295 0.139 1.00 1.86 O ATOM 0 H GLU A 51 8.258 -6.430 2.865 1.00 0.34 H new ATOM 0 HA GLU A 51 9.646 -4.031 2.204 1.00 0.32 H new ATOM 0 HB2 GLU A 51 6.940 -5.175 1.463 1.00 0.36 H new ATOM 0 HB3 GLU A 51 7.510 -3.631 0.860 1.00 0.36 H new ATOM 0 HG2 GLU A 51 8.117 -5.198 -0.819 1.00 0.86 H new ATOM 0 HG3 GLU A 51 9.609 -4.849 0.033 1.00 0.86 H new ATOM 795 N GLY A 52 7.189 -3.845 4.371 1.00 0.29 N ATOM 796 CA GLY A 52 6.651 -3.042 5.454 1.00 0.28 C ATOM 797 C GLY A 52 7.684 -2.641 6.509 1.00 0.26 C ATOM 798 O GLY A 52 7.364 -2.488 7.686 1.00 0.30 O ATOM 0 H GLY A 52 6.865 -4.812 4.393 1.00 0.29 H new ATOM 0 HA2 GLY A 52 6.206 -2.139 5.036 1.00 0.28 H new ATOM 0 HA3 GLY A 52 5.849 -3.598 5.940 1.00 0.28 H new ATOM 802 N SER A 53 8.922 -2.368 6.097 1.00 0.29 N ATOM 803 CA SER A 53 9.836 -1.554 6.872 1.00 0.34 C ATOM 804 C SER A 53 10.690 -0.653 5.971 1.00 0.34 C ATOM 805 O SER A 53 11.722 -0.153 6.412 1.00 0.53 O ATOM 806 CB SER A 53 10.667 -2.477 7.766 1.00 0.45 C ATOM 807 OG SER A 53 11.285 -3.514 7.028 1.00 2.01 O ATOM 0 H SER A 53 9.311 -2.708 5.218 1.00 0.29 H new ATOM 0 HA SER A 53 9.279 -0.868 7.511 1.00 0.34 H new ATOM 0 HB2 SER A 53 11.431 -1.893 8.280 1.00 0.45 H new ATOM 0 HB3 SER A 53 10.027 -2.911 8.534 1.00 0.45 H new ATOM 0 HG SER A 53 10.801 -3.650 6.187 1.00 2.01 H new ATOM 813 N ASN A 54 10.258 -0.397 4.727 1.00 0.34 N ATOM 814 CA ASN A 54 11.085 0.298 3.743 1.00 0.39 C ATOM 815 C ASN A 54 10.328 1.392 3.000 1.00 0.38 C ATOM 816 O ASN A 54 10.930 2.404 2.650 1.00 0.50 O ATOM 817 CB ASN A 54 11.681 -0.724 2.759 1.00 0.59 C ATOM 818 CG ASN A 54 13.009 -0.298 2.127 1.00 0.79 C ATOM 819 OD1 ASN A 54 13.940 -1.087 2.060 1.00 1.66 O ATOM 820 ND2 ASN A 54 13.152 0.927 1.637 1.00 2.58 N ATOM 0 H ASN A 54 9.336 -0.664 4.383 1.00 0.34 H new ATOM 0 HA ASN A 54 11.888 0.800 4.283 1.00 0.39 H new ATOM 0 HB2 ASN A 54 11.829 -1.669 3.282 1.00 0.59 H new ATOM 0 HB3 ASN A 54 10.958 -0.909 1.965 1.00 0.59 H new ATOM 0 HD21 ASN A 54 14.035 1.205 1.208 1.00 2.58 H new ATOM 0 HD22 ASN A 54 12.379 1.591 1.689 1.00 2.58 H new ATOM 827 N LEU A 55 9.038 1.214 2.714 1.00 0.31 N ATOM 828 CA LEU A 55 8.319 2.214 1.921 1.00 0.32 C ATOM 829 C LEU A 55 8.294 3.563 2.637 1.00 0.33 C ATOM 830 O LEU A 55 8.407 4.612 2.009 1.00 0.41 O ATOM 831 CB LEU A 55 6.888 1.760 1.604 1.00 0.30 C ATOM 832 CG LEU A 55 6.837 0.382 0.942 1.00 0.34 C ATOM 833 CD1 LEU A 55 5.419 0.082 0.455 1.00 0.39 C ATOM 834 CD2 LEU A 55 7.810 0.324 -0.236 1.00 0.38 C ATOM 0 H LEU A 55 8.482 0.412 3.009 1.00 0.31 H new ATOM 0 HA LEU A 55 8.856 2.326 0.979 1.00 0.32 H new ATOM 0 HB2 LEU A 55 6.306 1.737 2.526 1.00 0.30 H new ATOM 0 HB3 LEU A 55 6.417 2.491 0.947 1.00 0.30 H new ATOM 0 HG LEU A 55 7.126 -0.367 1.679 1.00 0.34 H new ATOM 0 HD11 LEU A 55 5.396 -0.902 -0.014 1.00 0.39 H new ATOM 0 HD12 LEU A 55 4.733 0.096 1.302 1.00 0.39 H new ATOM 0 HD13 LEU A 55 5.116 0.837 -0.270 1.00 0.39 H new ATOM 0 HD21 LEU A 55 7.764 -0.662 -0.698 1.00 0.38 H new ATOM 0 HD22 LEU A 55 7.538 1.082 -0.970 1.00 0.38 H new ATOM 0 HD23 LEU A 55 8.823 0.511 0.120 1.00 0.38 H new ATOM 846 N THR A 56 8.120 3.520 3.957 1.00 0.29 N ATOM 847 CA THR A 56 8.046 4.678 4.838 1.00 0.33 C ATOM 848 C THR A 56 7.796 4.163 6.258 1.00 0.29 C ATOM 849 O THR A 56 7.537 2.973 6.453 1.00 0.27 O ATOM 850 CB THR A 56 6.984 5.698 4.362 1.00 0.41 C ATOM 851 OG1 THR A 56 6.691 6.650 5.368 1.00 0.50 O ATOM 852 CG2 THR A 56 5.669 5.048 3.958 1.00 0.37 C ATOM 0 H THR A 56 8.023 2.638 4.460 1.00 0.29 H new ATOM 0 HA THR A 56 8.984 5.233 4.820 1.00 0.33 H new ATOM 0 HB THR A 56 7.430 6.177 3.490 1.00 0.41 H new ATOM 0 HG1 THR A 56 6.019 7.281 5.036 1.00 0.50 H new ATOM 0 HG21 THR A 56 4.967 5.817 3.634 1.00 0.37 H new ATOM 0 HG22 THR A 56 5.845 4.349 3.140 1.00 0.37 H new ATOM 0 HG23 THR A 56 5.252 4.511 4.810 1.00 0.37 H new ATOM 860 N SER A 57 7.821 5.047 7.255 1.00 0.34 N ATOM 861 CA SER A 57 7.367 4.742 8.601 1.00 0.38 C ATOM 862 C SER A 57 5.902 4.302 8.594 1.00 0.38 C ATOM 863 O SER A 57 5.538 3.400 9.343 1.00 0.39 O ATOM 864 CB SER A 57 7.560 5.973 9.484 1.00 0.48 C ATOM 865 OG SER A 57 8.884 6.448 9.346 1.00 0.92 O ATOM 0 H SER A 57 8.161 6.002 7.145 1.00 0.34 H new ATOM 0 HA SER A 57 7.955 3.916 9.001 1.00 0.38 H new ATOM 0 HB2 SER A 57 6.851 6.752 9.201 1.00 0.48 H new ATOM 0 HB3 SER A 57 7.359 5.722 10.525 1.00 0.48 H new ATOM 0 HG SER A 57 9.008 7.239 9.911 1.00 0.92 H new ATOM 871 N TYR A 58 5.063 4.893 7.732 1.00 0.42 N ATOM 872 CA TYR A 58 3.669 4.464 7.578 1.00 0.47 C ATOM 873 C TYR A 58 3.558 3.078 6.938 1.00 0.48 C ATOM 874 O TYR A 58 2.494 2.470 6.956 1.00 0.69 O ATOM 875 CB TYR A 58 2.867 5.488 6.749 1.00 0.54 C ATOM 876 CG TYR A 58 1.918 6.334 7.573 1.00 0.58 C ATOM 877 CD1 TYR A 58 1.046 5.701 8.476 1.00 0.62 C ATOM 878 CD2 TYR A 58 1.889 7.736 7.439 1.00 0.70 C ATOM 879 CE1 TYR A 58 0.207 6.461 9.302 1.00 0.70 C ATOM 880 CE2 TYR A 58 1.026 8.505 8.245 1.00 0.86 C ATOM 881 CZ TYR A 58 0.200 7.868 9.198 1.00 0.83 C ATOM 882 OH TYR A 58 -0.597 8.588 10.035 1.00 1.02 O ATOM 0 H TYR A 58 5.328 5.672 7.129 1.00 0.42 H new ATOM 0 HA TYR A 58 3.247 4.404 8.581 1.00 0.47 H new ATOM 0 HB2 TYR A 58 3.564 6.144 6.227 1.00 0.54 H new ATOM 0 HB3 TYR A 58 2.297 4.957 5.987 1.00 0.54 H new ATOM 0 HD1 TYR A 58 1.023 4.623 8.533 1.00 0.62 H new ATOM 0 HD2 TYR A 58 2.529 8.222 6.718 1.00 0.70 H new ATOM 0 HE1 TYR A 58 -0.434 5.969 10.018 1.00 0.70 H new ATOM 0 HE2 TYR A 58 0.996 9.579 8.135 1.00 0.86 H new ATOM 0 HH TYR A 58 -0.493 9.544 9.844 1.00 1.02 H new ATOM 892 N GLY A 59 4.653 2.562 6.383 1.00 0.36 N ATOM 893 CA GLY A 59 4.716 1.210 5.879 1.00 0.35 C ATOM 894 C GLY A 59 5.087 0.234 6.986 1.00 0.32 C ATOM 895 O GLY A 59 5.076 -0.961 6.739 1.00 0.36 O ATOM 0 H GLY A 59 5.523 3.082 6.274 1.00 0.36 H new ATOM 0 HA2 GLY A 59 3.753 0.932 5.451 1.00 0.35 H new ATOM 0 HA3 GLY A 59 5.450 1.151 5.076 1.00 0.35 H new ATOM 899 N ARG A 60 5.399 0.704 8.198 1.00 0.32 N ATOM 900 CA ARG A 60 5.800 -0.143 9.318 1.00 0.33 C ATOM 901 C ARG A 60 4.859 0.001 10.515 1.00 0.40 C ATOM 902 O ARG A 60 5.134 -0.527 11.592 1.00 0.66 O ATOM 903 CB ARG A 60 7.205 0.271 9.755 1.00 0.37 C ATOM 904 CG ARG A 60 7.961 -0.839 10.512 1.00 0.44 C ATOM 905 CD ARG A 60 9.092 -0.254 11.371 1.00 1.11 C ATOM 906 NE ARG A 60 9.139 -0.845 12.720 1.00 1.08 N ATOM 907 CZ ARG A 60 8.304 -0.544 13.725 1.00 2.00 C ATOM 908 NH1 ARG A 60 7.232 0.217 13.508 1.00 3.16 N ATOM 909 NH2 ARG A 60 8.540 -1.009 14.954 1.00 2.40 N ATOM 0 H ARG A 60 5.379 1.697 8.428 1.00 0.32 H new ATOM 0 HA ARG A 60 5.768 -1.181 8.987 1.00 0.33 H new ATOM 0 HB2 ARG A 60 7.781 0.559 8.876 1.00 0.37 H new ATOM 0 HB3 ARG A 60 7.135 1.152 10.392 1.00 0.37 H new ATOM 0 HG2 ARG A 60 7.266 -1.388 11.147 1.00 0.44 H new ATOM 0 HG3 ARG A 60 8.374 -1.553 9.799 1.00 0.44 H new ATOM 0 HD2 ARG A 60 10.046 -0.420 10.872 1.00 1.11 H new ATOM 0 HD3 ARG A 60 8.960 0.825 11.455 1.00 1.11 H new ATOM 0 HE ARG A 60 9.864 -1.538 12.904 1.00 1.08 H new ATOM 0 HH11 ARG A 60 7.042 0.575 12.572 1.00 3.16 H new ATOM 0 HH12 ARG A 60 6.602 0.441 14.278 1.00 3.16 H new ATOM 0 HH21 ARG A 60 9.357 -1.594 15.130 1.00 2.40 H new ATOM 0 HH22 ARG A 60 7.904 -0.779 15.717 1.00 2.40 H new ATOM 923 N THR A 61 3.815 0.810 10.384 1.00 0.40 N ATOM 924 CA THR A 61 2.737 0.894 11.362 1.00 0.43 C ATOM 925 C THR A 61 1.829 -0.338 11.199 1.00 0.44 C ATOM 926 O THR A 61 2.336 -1.421 10.919 1.00 0.69 O ATOM 927 CB THR A 61 2.024 2.237 11.175 1.00 0.47 C ATOM 928 OG1 THR A 61 1.780 2.460 9.817 1.00 0.77 O ATOM 929 CG2 THR A 61 2.836 3.415 11.682 1.00 0.79 C ATOM 0 H THR A 61 3.691 1.434 9.586 1.00 0.40 H new ATOM 0 HA THR A 61 3.098 0.873 12.390 1.00 0.43 H new ATOM 0 HB THR A 61 1.101 2.171 11.751 1.00 0.47 H new ATOM 0 HG1 THR A 61 0.919 2.916 9.710 1.00 0.77 H new ATOM 0 HG21 THR A 61 2.278 4.337 11.522 1.00 0.79 H new ATOM 0 HG22 THR A 61 3.032 3.290 12.747 1.00 0.79 H new ATOM 0 HG23 THR A 61 3.782 3.464 11.142 1.00 0.79 H new ATOM 937 N ASN A 62 0.509 -0.244 11.412 1.00 0.43 N ATOM 938 CA ASN A 62 -0.354 -1.401 11.197 1.00 0.42 C ATOM 939 C ASN A 62 -0.208 -1.871 9.752 1.00 0.35 C ATOM 940 O ASN A 62 -0.015 -1.063 8.847 1.00 0.35 O ATOM 941 CB ASN A 62 -1.830 -1.072 11.498 1.00 0.52 C ATOM 942 CG ASN A 62 -2.258 -1.557 12.874 1.00 0.78 C ATOM 943 OD1 ASN A 62 -1.614 -1.239 13.866 1.00 1.75 O ATOM 944 ND2 ASN A 62 -3.341 -2.321 12.970 1.00 1.51 N ATOM 0 H ASN A 62 0.030 0.601 11.725 1.00 0.43 H new ATOM 0 HA ASN A 62 -0.048 -2.192 11.881 1.00 0.42 H new ATOM 0 HB2 ASN A 62 -1.981 0.005 11.431 1.00 0.52 H new ATOM 0 HB3 ASN A 62 -2.465 -1.530 10.740 1.00 0.52 H new ATOM 0 HD21 ASN A 62 -3.651 -2.654 13.883 1.00 1.51 H new ATOM 0 HD22 ASN A 62 -3.863 -2.574 12.131 1.00 1.51 H new ATOM 951 N GLU A 63 -0.376 -3.173 9.519 1.00 0.36 N ATOM 952 CA GLU A 63 -0.293 -3.732 8.176 1.00 0.35 C ATOM 953 C GLU A 63 -1.328 -3.071 7.258 1.00 0.36 C ATOM 954 O GLU A 63 -1.078 -2.810 6.089 1.00 0.41 O ATOM 955 CB GLU A 63 -0.486 -5.248 8.259 1.00 0.40 C ATOM 956 CG GLU A 63 -0.019 -5.930 6.972 1.00 0.73 C ATOM 957 CD GLU A 63 -1.125 -6.724 6.294 1.00 1.69 C ATOM 958 OE1 GLU A 63 -1.869 -6.134 5.482 1.00 2.89 O ATOM 959 OE2 GLU A 63 -1.191 -7.944 6.549 1.00 2.36 O ATOM 0 H GLU A 63 -0.571 -3.860 10.248 1.00 0.36 H new ATOM 0 HA GLU A 63 0.688 -3.531 7.745 1.00 0.35 H new ATOM 0 HB2 GLU A 63 0.072 -5.644 9.108 1.00 0.40 H new ATOM 0 HB3 GLU A 63 -1.537 -5.476 8.435 1.00 0.40 H new ATOM 0 HG2 GLU A 63 0.357 -5.175 6.281 1.00 0.73 H new ATOM 0 HG3 GLU A 63 0.813 -6.596 7.200 1.00 0.73 H new ATOM 966 N ALA A 64 -2.486 -2.726 7.816 1.00 0.37 N ATOM 967 CA ALA A 64 -3.524 -2.004 7.105 1.00 0.42 C ATOM 968 C ALA A 64 -3.053 -0.645 6.581 1.00 0.36 C ATOM 969 O ALA A 64 -3.505 -0.180 5.536 1.00 0.39 O ATOM 970 CB ALA A 64 -4.720 -1.867 8.039 1.00 0.52 C ATOM 0 H ALA A 64 -2.727 -2.944 8.783 1.00 0.37 H new ATOM 0 HA ALA A 64 -3.803 -2.566 6.214 1.00 0.42 H new ATOM 0 HB1 ALA A 64 -5.519 -1.327 7.531 1.00 0.52 H new ATOM 0 HB2 ALA A 64 -5.075 -2.858 8.323 1.00 0.52 H new ATOM 0 HB3 ALA A 64 -4.423 -1.318 8.933 1.00 0.52 H new ATOM 976 N GLU A 65 -2.166 0.028 7.310 1.00 0.34 N ATOM 977 CA GLU A 65 -1.585 1.270 6.837 1.00 0.34 C ATOM 978 C GLU A 65 -0.565 0.996 5.749 1.00 0.30 C ATOM 979 O GLU A 65 -0.578 1.697 4.749 1.00 0.35 O ATOM 980 CB GLU A 65 -0.942 2.058 7.970 1.00 0.37 C ATOM 981 CG GLU A 65 -1.968 2.265 9.078 1.00 0.46 C ATOM 982 CD GLU A 65 -1.685 3.532 9.875 1.00 0.69 C ATOM 983 OE1 GLU A 65 -0.680 3.525 10.620 1.00 1.85 O ATOM 984 OE2 GLU A 65 -2.449 4.508 9.708 1.00 1.46 O ATOM 0 H GLU A 65 -1.838 -0.270 8.229 1.00 0.34 H new ATOM 0 HA GLU A 65 -2.394 1.875 6.426 1.00 0.34 H new ATOM 0 HB2 GLU A 65 -0.075 1.522 8.356 1.00 0.37 H new ATOM 0 HB3 GLU A 65 -0.585 3.020 7.603 1.00 0.37 H new ATOM 0 HG2 GLU A 65 -2.966 2.323 8.644 1.00 0.46 H new ATOM 0 HG3 GLU A 65 -1.961 1.404 9.747 1.00 0.46 H new ATOM 991 N PHE A 66 0.279 -0.023 5.914 1.00 0.27 N ATOM 992 CA PHE A 66 1.208 -0.462 4.884 1.00 0.26 C ATOM 993 C PHE A 66 0.494 -0.658 3.545 1.00 0.25 C ATOM 994 O PHE A 66 0.920 -0.128 2.524 1.00 0.25 O ATOM 995 CB PHE A 66 1.921 -1.727 5.374 1.00 0.31 C ATOM 996 CG PHE A 66 2.701 -2.450 4.308 1.00 0.34 C ATOM 997 CD1 PHE A 66 3.985 -2.003 3.970 1.00 0.35 C ATOM 998 CD2 PHE A 66 2.160 -3.580 3.669 1.00 0.41 C ATOM 999 CE1 PHE A 66 4.710 -2.641 2.961 1.00 0.42 C ATOM 1000 CE2 PHE A 66 2.912 -4.260 2.698 1.00 0.47 C ATOM 1001 CZ PHE A 66 4.192 -3.789 2.353 1.00 0.47 C ATOM 0 H PHE A 66 0.334 -0.568 6.774 1.00 0.27 H new ATOM 0 HA PHE A 66 1.961 0.305 4.704 1.00 0.26 H new ATOM 0 HB2 PHE A 66 2.599 -1.457 6.184 1.00 0.31 H new ATOM 0 HB3 PHE A 66 1.180 -2.409 5.792 1.00 0.31 H new ATOM 0 HD1 PHE A 66 4.416 -1.161 4.492 1.00 0.35 H new ATOM 0 HD2 PHE A 66 1.169 -3.924 3.925 1.00 0.41 H new ATOM 0 HE1 PHE A 66 5.668 -2.249 2.651 1.00 0.42 H new ATOM 0 HE2 PHE A 66 2.510 -5.140 2.218 1.00 0.47 H new ATOM 0 HZ PHE A 66 4.778 -4.317 1.615 1.00 0.47 H new ATOM 1011 N PHE A 67 -0.611 -1.397 3.537 1.00 0.28 N ATOM 1012 CA PHE A 67 -1.389 -1.619 2.330 1.00 0.29 C ATOM 1013 C PHE A 67 -1.973 -0.303 1.793 1.00 0.29 C ATOM 1014 O PHE A 67 -1.981 -0.062 0.586 1.00 0.31 O ATOM 1015 CB PHE A 67 -2.486 -2.637 2.653 1.00 0.34 C ATOM 1016 CG PHE A 67 -3.347 -2.998 1.465 1.00 0.40 C ATOM 1017 CD1 PHE A 67 -2.935 -4.007 0.576 1.00 0.46 C ATOM 1018 CD2 PHE A 67 -4.562 -2.322 1.253 1.00 0.46 C ATOM 1019 CE1 PHE A 67 -3.749 -4.360 -0.514 1.00 0.56 C ATOM 1020 CE2 PHE A 67 -5.369 -2.667 0.152 1.00 0.57 C ATOM 1021 CZ PHE A 67 -4.970 -3.697 -0.718 1.00 0.60 C ATOM 0 H PHE A 67 -0.989 -1.856 4.366 1.00 0.28 H new ATOM 0 HA PHE A 67 -0.749 -2.012 1.540 1.00 0.29 H new ATOM 0 HB2 PHE A 67 -2.025 -3.543 3.045 1.00 0.34 H new ATOM 0 HB3 PHE A 67 -3.121 -2.235 3.443 1.00 0.34 H new ATOM 0 HD1 PHE A 67 -1.992 -4.511 0.731 1.00 0.46 H new ATOM 0 HD2 PHE A 67 -4.874 -1.542 1.931 1.00 0.46 H new ATOM 0 HE1 PHE A 67 -3.436 -5.139 -1.193 1.00 0.56 H new ATOM 0 HE2 PHE A 67 -6.295 -2.140 -0.024 1.00 0.57 H new ATOM 0 HZ PHE A 67 -5.604 -3.979 -1.545 1.00 0.60 H new ATOM 1031 N ALA A 68 -2.493 0.557 2.671 1.00 0.29 N ATOM 1032 CA ALA A 68 -3.207 1.750 2.250 1.00 0.34 C ATOM 1033 C ALA A 68 -2.261 2.797 1.645 1.00 0.27 C ATOM 1034 O ALA A 68 -2.580 3.477 0.669 1.00 0.28 O ATOM 1035 CB ALA A 68 -3.936 2.275 3.482 1.00 0.42 C ATOM 0 H ALA A 68 -2.429 0.443 3.683 1.00 0.29 H new ATOM 0 HA ALA A 68 -3.917 1.519 1.456 1.00 0.34 H new ATOM 0 HB1 ALA A 68 -4.491 3.176 3.220 1.00 0.42 H new ATOM 0 HB2 ALA A 68 -4.628 1.516 3.847 1.00 0.42 H new ATOM 0 HB3 ALA A 68 -3.211 2.510 4.261 1.00 0.42 H new ATOM 1041 N GLU A 69 -1.082 2.948 2.234 1.00 0.31 N ATOM 1042 CA GLU A 69 -0.066 3.877 1.781 1.00 0.28 C ATOM 1043 C GLU A 69 0.629 3.301 0.549 1.00 0.28 C ATOM 1044 O GLU A 69 0.962 4.047 -0.367 1.00 0.35 O ATOM 1045 CB GLU A 69 0.845 4.247 2.962 1.00 0.64 C ATOM 1046 CG GLU A 69 2.052 3.323 3.176 1.00 1.13 C ATOM 1047 CD GLU A 69 3.209 3.650 2.231 1.00 2.33 C ATOM 1048 OE1 GLU A 69 3.352 4.852 1.909 1.00 3.16 O ATOM 1049 OE2 GLU A 69 3.949 2.713 1.869 1.00 3.27 O ATOM 0 H GLU A 69 -0.804 2.414 3.058 1.00 0.31 H new ATOM 0 HA GLU A 69 -0.489 4.824 1.447 1.00 0.28 H new ATOM 0 HB2 GLU A 69 1.209 5.264 2.814 1.00 0.64 H new ATOM 0 HB3 GLU A 69 0.247 4.252 3.873 1.00 0.64 H new ATOM 0 HG2 GLU A 69 2.393 3.408 4.208 1.00 1.13 H new ATOM 0 HG3 GLU A 69 1.745 2.288 3.026 1.00 1.13 H new ATOM 1056 N ALA A 70 0.749 1.973 0.452 1.00 0.30 N ATOM 1057 CA ALA A 70 1.158 1.345 -0.793 1.00 0.36 C ATOM 1058 C ALA A 70 0.224 1.791 -1.917 1.00 0.39 C ATOM 1059 O ALA A 70 0.707 2.219 -2.955 1.00 0.50 O ATOM 1060 CB ALA A 70 1.211 -0.178 -0.660 1.00 0.38 C ATOM 0 H ALA A 70 0.569 1.323 1.217 1.00 0.30 H new ATOM 0 HA ALA A 70 2.170 1.665 -1.039 1.00 0.36 H new ATOM 0 HB1 ALA A 70 1.520 -0.616 -1.609 1.00 0.38 H new ATOM 0 HB2 ALA A 70 1.927 -0.451 0.116 1.00 0.38 H new ATOM 0 HB3 ALA A 70 0.224 -0.554 -0.392 1.00 0.38 H new ATOM 1066 N PHE A 71 -1.099 1.762 -1.719 1.00 0.34 N ATOM 1067 CA PHE A 71 -2.066 2.325 -2.669 1.00 0.38 C ATOM 1068 C PHE A 71 -1.716 3.753 -3.069 1.00 0.38 C ATOM 1069 O PHE A 71 -1.732 4.074 -4.258 1.00 0.40 O ATOM 1070 CB PHE A 71 -3.490 2.245 -2.104 1.00 0.41 C ATOM 1071 CG PHE A 71 -4.380 1.268 -2.835 1.00 1.05 C ATOM 1072 CD1 PHE A 71 -4.403 -0.084 -2.449 1.00 2.65 C ATOM 1073 CD2 PHE A 71 -5.198 1.709 -3.892 1.00 1.43 C ATOM 1074 CE1 PHE A 71 -5.235 -0.992 -3.124 1.00 3.54 C ATOM 1075 CE2 PHE A 71 -6.036 0.801 -4.560 1.00 2.15 C ATOM 1076 CZ PHE A 71 -6.053 -0.552 -4.180 1.00 3.03 C ATOM 0 H PHE A 71 -1.530 1.346 -0.893 1.00 0.34 H new ATOM 0 HA PHE A 71 -2.018 1.721 -3.575 1.00 0.38 H new ATOM 0 HB2 PHE A 71 -3.439 1.960 -1.053 1.00 0.41 H new ATOM 0 HB3 PHE A 71 -3.943 3.236 -2.144 1.00 0.41 H new ATOM 0 HD1 PHE A 71 -3.781 -0.424 -1.634 1.00 2.65 H new ATOM 0 HD2 PHE A 71 -5.181 2.747 -4.190 1.00 1.43 H new ATOM 0 HE1 PHE A 71 -5.247 -2.031 -2.831 1.00 3.54 H new ATOM 0 HE2 PHE A 71 -6.668 1.143 -5.366 1.00 2.15 H new ATOM 0 HZ PHE A 71 -6.692 -1.252 -4.697 1.00 3.03 H new ATOM 1086 N ARG A 72 -1.402 4.627 -2.113 1.00 0.40 N ATOM 1087 CA ARG A 72 -0.989 5.987 -2.449 1.00 0.41 C ATOM 1088 C ARG A 72 0.171 5.949 -3.452 1.00 0.42 C ATOM 1089 O ARG A 72 0.102 6.574 -4.510 1.00 0.51 O ATOM 1090 CB ARG A 72 -0.662 6.763 -1.163 1.00 0.39 C ATOM 1091 CG ARG A 72 -0.005 8.122 -1.425 1.00 0.46 C ATOM 1092 CD ARG A 72 0.178 8.879 -0.108 1.00 0.57 C ATOM 1093 NE ARG A 72 1.061 8.157 0.821 1.00 1.46 N ATOM 1094 CZ ARG A 72 2.363 8.387 1.037 1.00 1.70 C ATOM 1095 NH1 ARG A 72 2.992 9.397 0.434 1.00 2.37 N ATOM 1096 NH2 ARG A 72 3.068 7.560 1.807 1.00 3.03 N ATOM 0 H ARG A 72 -1.425 4.421 -1.114 1.00 0.40 H new ATOM 0 HA ARG A 72 -1.803 6.522 -2.939 1.00 0.41 H new ATOM 0 HB2 ARG A 72 -1.580 6.915 -0.595 1.00 0.39 H new ATOM 0 HB3 ARG A 72 0.001 6.160 -0.542 1.00 0.39 H new ATOM 0 HG2 ARG A 72 0.961 7.980 -1.910 1.00 0.46 H new ATOM 0 HG3 ARG A 72 -0.621 8.707 -2.108 1.00 0.46 H new ATOM 0 HD2 ARG A 72 0.594 9.866 -0.311 1.00 0.57 H new ATOM 0 HD3 ARG A 72 -0.794 9.033 0.361 1.00 0.57 H new ATOM 0 HE ARG A 72 0.637 7.401 1.358 1.00 1.46 H new ATOM 0 HH11 ARG A 72 2.481 10.008 -0.203 1.00 2.37 H new ATOM 0 HH12 ARG A 72 3.984 9.558 0.610 1.00 2.37 H new ATOM 0 HH21 ARG A 72 2.617 6.751 2.233 1.00 3.03 H new ATOM 0 HH22 ARG A 72 4.059 7.736 1.971 1.00 3.03 H new ATOM 1110 N LEU A 73 1.220 5.199 -3.137 1.00 0.35 N ATOM 1111 CA LEU A 73 2.450 5.156 -3.915 1.00 0.36 C ATOM 1112 C LEU A 73 2.253 4.428 -5.245 1.00 0.42 C ATOM 1113 O LEU A 73 2.969 4.702 -6.200 1.00 0.59 O ATOM 1114 CB LEU A 73 3.548 4.501 -3.086 1.00 0.37 C ATOM 1115 CG LEU A 73 3.962 5.219 -1.775 1.00 0.28 C ATOM 1116 CD1 LEU A 73 5.455 5.573 -1.770 1.00 0.53 C ATOM 1117 CD2 LEU A 73 3.238 6.529 -1.481 1.00 0.38 C ATOM 0 H LEU A 73 1.239 4.592 -2.317 1.00 0.35 H new ATOM 0 HA LEU A 73 2.745 6.177 -4.158 1.00 0.36 H new ATOM 0 HB2 LEU A 73 3.225 3.492 -2.832 1.00 0.37 H new ATOM 0 HB3 LEU A 73 4.434 4.403 -3.713 1.00 0.37 H new ATOM 0 HG LEU A 73 3.691 4.486 -1.015 1.00 0.28 H new ATOM 0 HD11 LEU A 73 5.707 6.075 -0.836 1.00 0.53 H new ATOM 0 HD12 LEU A 73 6.045 4.661 -1.863 1.00 0.53 H new ATOM 0 HD13 LEU A 73 5.675 6.235 -2.608 1.00 0.53 H new ATOM 0 HD21 LEU A 73 3.604 6.945 -0.542 1.00 0.38 H new ATOM 0 HD22 LEU A 73 3.424 7.237 -2.289 1.00 0.38 H new ATOM 0 HD23 LEU A 73 2.167 6.343 -1.402 1.00 0.38 H new ATOM 1129 N MET A 74 1.279 3.524 -5.340 1.00 0.37 N ATOM 1130 CA MET A 74 0.958 2.771 -6.548 1.00 0.39 C ATOM 1131 C MET A 74 0.526 3.711 -7.664 1.00 0.46 C ATOM 1132 O MET A 74 0.811 3.464 -8.839 1.00 0.47 O ATOM 1133 CB MET A 74 -0.185 1.786 -6.262 1.00 0.55 C ATOM 1134 CG MET A 74 0.287 0.503 -5.586 1.00 1.49 C ATOM 1135 SD MET A 74 1.195 -0.647 -6.638 1.00 3.09 S ATOM 1136 CE MET A 74 0.145 -0.773 -8.109 1.00 2.84 C ATOM 0 H MET A 74 0.674 3.289 -4.553 1.00 0.37 H new ATOM 0 HA MET A 74 1.850 2.227 -6.858 1.00 0.39 H new ATOM 0 HB2 MET A 74 -0.926 2.273 -5.628 1.00 0.55 H new ATOM 0 HB3 MET A 74 -0.683 1.534 -7.198 1.00 0.55 H new ATOM 0 HG2 MET A 74 0.921 0.771 -4.741 1.00 1.49 H new ATOM 0 HG3 MET A 74 -0.583 -0.014 -5.181 1.00 1.49 H new ATOM 0 HE1 MET A 74 0.439 -1.646 -8.692 1.00 2.84 H new ATOM 0 HE2 MET A 74 -0.897 -0.873 -7.805 1.00 2.84 H new ATOM 0 HE3 MET A 74 0.261 0.125 -8.717 1.00 2.84 H new ATOM 1146 N HIS A 75 -0.251 4.740 -7.318 1.00 0.54 N ATOM 1147 CA HIS A 75 -0.769 5.684 -8.297 1.00 0.65 C ATOM 1148 C HIS A 75 0.068 6.951 -8.408 1.00 0.68 C ATOM 1149 O HIS A 75 -0.320 7.789 -9.218 1.00 0.92 O ATOM 1150 CB HIS A 75 -2.231 6.044 -8.004 1.00 0.73 C ATOM 1151 CG HIS A 75 -2.358 7.056 -6.899 1.00 0.80 C ATOM 1152 ND1 HIS A 75 -1.999 8.393 -6.993 1.00 0.94 N ATOM 1153 CD2 HIS A 75 -2.652 6.769 -5.599 1.00 0.95 C ATOM 1154 CE1 HIS A 75 -2.031 8.904 -5.748 1.00 1.14 C ATOM 1155 NE2 HIS A 75 -2.454 7.945 -4.904 1.00 1.14 N ATOM 0 H HIS A 75 -0.534 4.937 -6.358 1.00 0.54 H new ATOM 0 HA HIS A 75 -0.711 5.175 -9.259 1.00 0.65 H new ATOM 0 HB2 HIS A 75 -2.695 6.437 -8.909 1.00 0.73 H new ATOM 0 HB3 HIS A 75 -2.778 5.141 -7.732 1.00 0.73 H new ATOM 0 HD1 HIS A 75 -1.756 8.895 -7.847 1.00 0.94 H new ATOM 0 HD2 HIS A 75 -2.973 5.819 -5.197 1.00 0.95 H new ATOM 0 HE1 HIS A 75 -1.763 9.913 -5.473 1.00 1.14 H new ATOM 1164 N SER A 76 1.056 7.179 -7.526 1.00 0.72 N ATOM 1165 CA SER A 76 1.789 8.431 -7.406 1.00 0.77 C ATOM 1166 C SER A 76 1.948 9.102 -8.757 1.00 0.71 C ATOM 1167 O SER A 76 2.455 8.535 -9.719 1.00 0.63 O ATOM 1168 CB SER A 76 3.115 8.220 -6.677 1.00 0.84 C ATOM 1169 OG SER A 76 2.882 8.309 -5.290 1.00 1.19 O ATOM 0 H SER A 76 1.368 6.471 -6.862 1.00 0.72 H new ATOM 0 HA SER A 76 1.208 9.119 -6.792 1.00 0.77 H new ATOM 0 HB2 SER A 76 3.535 7.246 -6.929 1.00 0.84 H new ATOM 0 HB3 SER A 76 3.842 8.970 -6.988 1.00 0.84 H new ATOM 0 HG SER A 76 3.463 8.997 -4.904 1.00 1.19 H new ATOM 1175 N THR A 77 1.396 10.307 -8.817 1.00 0.83 N ATOM 1176 CA THR A 77 1.365 11.147 -9.999 1.00 0.86 C ATOM 1177 C THR A 77 2.774 11.256 -10.562 1.00 0.78 C ATOM 1178 O THR A 77 2.988 11.128 -11.767 1.00 0.79 O ATOM 1179 CB THR A 77 0.791 12.511 -9.604 1.00 1.06 C ATOM 1180 OG1 THR A 77 1.228 12.843 -8.299 1.00 1.12 O ATOM 1181 CG2 THR A 77 -0.736 12.454 -9.584 1.00 1.21 C ATOM 0 H THR A 77 0.942 10.739 -8.012 1.00 0.83 H new ATOM 0 HA THR A 77 0.731 10.723 -10.777 1.00 0.86 H new ATOM 0 HB THR A 77 1.129 13.252 -10.328 1.00 1.06 H new ATOM 0 HG1 THR A 77 0.864 13.716 -8.044 1.00 1.12 H new ATOM 0 HG21 THR A 77 -1.133 13.429 -9.302 1.00 1.21 H new ATOM 0 HG22 THR A 77 -1.103 12.186 -10.575 1.00 1.21 H new ATOM 0 HG23 THR A 77 -1.063 11.706 -8.861 1.00 1.21 H new ATOM 1189 N ASP A 78 3.749 11.426 -9.673 1.00 0.78 N ATOM 1190 CA ASP A 78 5.124 11.207 -10.066 1.00 0.72 C ATOM 1191 C ASP A 78 5.362 9.710 -10.263 1.00 0.62 C ATOM 1192 O ASP A 78 5.423 8.929 -9.314 1.00 0.59 O ATOM 1193 CB ASP A 78 6.092 11.785 -9.043 1.00 0.85 C ATOM 1194 CG ASP A 78 7.502 11.364 -9.434 1.00 0.89 C ATOM 1195 OD1 ASP A 78 7.758 11.263 -10.659 1.00 1.91 O ATOM 1196 OD2 ASP A 78 8.268 11.030 -8.509 1.00 1.79 O ATOM 0 H ASP A 78 3.612 11.707 -8.702 1.00 0.78 H new ATOM 0 HA ASP A 78 5.308 11.725 -11.007 1.00 0.72 H new ATOM 0 HB2 ASP A 78 6.013 12.872 -9.016 1.00 0.85 H new ATOM 0 HB3 ASP A 78 5.850 11.423 -8.044 1.00 0.85 H new ATOM 1201 N HIS A 79 5.550 9.312 -11.520 1.00 0.59 N ATOM 1202 CA HIS A 79 5.940 7.954 -11.855 1.00 0.56 C ATOM 1203 C HIS A 79 7.148 7.492 -11.042 1.00 0.54 C ATOM 1204 O HIS A 79 7.228 6.322 -10.685 1.00 0.50 O ATOM 1205 CB HIS A 79 6.200 7.817 -13.357 1.00 0.62 C ATOM 1206 CG HIS A 79 7.492 8.449 -13.818 1.00 2.01 C ATOM 1207 ND1 HIS A 79 8.617 7.761 -14.234 1.00 3.39 N ATOM 1208 CD2 HIS A 79 7.777 9.787 -13.835 1.00 3.43 C ATOM 1209 CE1 HIS A 79 9.569 8.673 -14.509 1.00 4.49 C ATOM 1210 NE2 HIS A 79 9.081 9.909 -14.275 1.00 4.55 N ATOM 0 H HIS A 79 5.435 9.923 -12.328 1.00 0.59 H new ATOM 0 HA HIS A 79 5.108 7.301 -11.592 1.00 0.56 H new ATOM 0 HB2 HIS A 79 6.212 6.759 -13.618 1.00 0.62 H new ATOM 0 HB3 HIS A 79 5.372 8.270 -13.901 1.00 0.62 H new ATOM 0 HD2 HIS A 79 7.112 10.592 -13.558 1.00 3.43 H new ATOM 0 HE1 HIS A 79 10.565 8.450 -14.861 1.00 4.49 H new ATOM 0 HE2 HIS A 79 9.589 10.785 -14.401 1.00 4.55 H new ATOM 1219 N ALA A 80 8.110 8.374 -10.780 1.00 0.61 N ATOM 1220 CA ALA A 80 9.311 7.981 -10.061 1.00 0.68 C ATOM 1221 C ALA A 80 8.949 7.456 -8.680 1.00 0.67 C ATOM 1222 O ALA A 80 9.425 6.395 -8.297 1.00 0.64 O ATOM 1223 CB ALA A 80 10.291 9.138 -9.933 1.00 0.83 C ATOM 0 H ALA A 80 8.079 9.356 -11.054 1.00 0.61 H new ATOM 0 HA ALA A 80 9.795 7.191 -10.635 1.00 0.68 H new ATOM 0 HB1 ALA A 80 11.176 8.807 -9.390 1.00 0.83 H new ATOM 0 HB2 ALA A 80 10.581 9.480 -10.926 1.00 0.83 H new ATOM 0 HB3 ALA A 80 9.818 9.957 -9.391 1.00 0.83 H new ATOM 1229 N GLU A 81 8.102 8.173 -7.938 1.00 0.72 N ATOM 1230 CA GLU A 81 7.599 7.752 -6.641 1.00 0.72 C ATOM 1231 C GLU A 81 7.100 6.316 -6.684 1.00 0.63 C ATOM 1232 O GLU A 81 7.384 5.518 -5.789 1.00 0.64 O ATOM 1233 CB GLU A 81 6.514 8.714 -6.154 1.00 0.80 C ATOM 1234 CG GLU A 81 7.051 9.764 -5.179 1.00 1.18 C ATOM 1235 CD GLU A 81 5.954 10.745 -4.752 1.00 1.71 C ATOM 1236 OE1 GLU A 81 4.763 10.357 -4.831 1.00 2.31 O ATOM 1237 OE2 GLU A 81 6.316 11.862 -4.324 1.00 2.87 O ATOM 0 H GLU A 81 7.743 9.081 -8.234 1.00 0.72 H new ATOM 0 HA GLU A 81 8.421 7.782 -5.925 1.00 0.72 H new ATOM 0 HB2 GLU A 81 6.067 9.216 -7.012 1.00 0.80 H new ATOM 0 HB3 GLU A 81 5.721 8.145 -5.669 1.00 0.80 H new ATOM 0 HG2 GLU A 81 7.461 9.269 -4.299 1.00 1.18 H new ATOM 0 HG3 GLU A 81 7.869 10.312 -5.647 1.00 1.18 H new ATOM 1244 N ARG A 82 6.407 5.959 -7.760 1.00 0.57 N ATOM 1245 CA ARG A 82 5.919 4.595 -7.894 1.00 0.51 C ATOM 1246 C ARG A 82 7.107 3.650 -7.964 1.00 0.50 C ATOM 1247 O ARG A 82 7.139 2.642 -7.268 1.00 0.48 O ATOM 1248 CB ARG A 82 5.081 4.437 -9.156 1.00 0.47 C ATOM 1249 CG ARG A 82 3.883 5.377 -9.130 1.00 0.54 C ATOM 1250 CD ARG A 82 3.403 5.639 -10.548 1.00 0.54 C ATOM 1251 NE ARG A 82 2.155 4.923 -10.814 1.00 0.57 N ATOM 1252 CZ ARG A 82 1.166 5.308 -11.621 1.00 1.40 C ATOM 1253 NH1 ARG A 82 1.232 6.470 -12.270 1.00 2.62 N ATOM 1254 NH2 ARG A 82 0.107 4.509 -11.761 1.00 1.47 N ATOM 0 H ARG A 82 6.175 6.580 -8.535 1.00 0.57 H new ATOM 0 HA ARG A 82 5.294 4.361 -7.032 1.00 0.51 H new ATOM 0 HB2 ARG A 82 5.694 4.645 -10.033 1.00 0.47 H new ATOM 0 HB3 ARG A 82 4.738 3.406 -9.244 1.00 0.47 H new ATOM 0 HG2 ARG A 82 3.078 4.939 -8.539 1.00 0.54 H new ATOM 0 HG3 ARG A 82 4.157 6.316 -8.650 1.00 0.54 H new ATOM 0 HD2 ARG A 82 3.252 6.709 -10.694 1.00 0.54 H new ATOM 0 HD3 ARG A 82 4.167 5.325 -11.259 1.00 0.54 H new ATOM 0 HE ARG A 82 2.028 4.034 -10.330 1.00 0.57 H new ATOM 0 HH11 ARG A 82 2.045 7.075 -12.152 1.00 2.62 H new ATOM 0 HH12 ARG A 82 0.470 6.755 -12.885 1.00 2.62 H new ATOM 0 HH21 ARG A 82 0.066 3.624 -11.256 1.00 1.47 H new ATOM 0 HH22 ARG A 82 -0.661 4.783 -12.373 1.00 1.47 H new ATOM 1268 N LEU A 83 8.090 3.969 -8.808 1.00 0.53 N ATOM 1269 CA LEU A 83 9.312 3.189 -8.895 1.00 0.54 C ATOM 1270 C LEU A 83 10.107 3.184 -7.595 1.00 0.52 C ATOM 1271 O LEU A 83 10.862 2.242 -7.398 1.00 0.49 O ATOM 1272 CB LEU A 83 10.217 3.618 -10.055 1.00 0.60 C ATOM 1273 CG LEU A 83 9.790 3.102 -11.437 1.00 0.63 C ATOM 1274 CD1 LEU A 83 9.238 1.676 -11.427 1.00 0.60 C ATOM 1275 CD2 LEU A 83 8.752 4.014 -12.090 1.00 0.67 C ATOM 0 H LEU A 83 8.057 4.768 -9.441 1.00 0.53 H new ATOM 0 HA LEU A 83 8.973 2.171 -9.090 1.00 0.54 H new ATOM 0 HB2 LEU A 83 10.252 4.707 -10.085 1.00 0.60 H new ATOM 0 HB3 LEU A 83 11.231 3.272 -9.852 1.00 0.60 H new ATOM 0 HG LEU A 83 10.713 3.102 -12.017 1.00 0.63 H new ATOM 0 HD11 LEU A 83 8.959 1.387 -12.440 1.00 0.60 H new ATOM 0 HD12 LEU A 83 10.000 0.993 -11.051 1.00 0.60 H new ATOM 0 HD13 LEU A 83 8.360 1.630 -10.782 1.00 0.60 H new ATOM 0 HD21 LEU A 83 8.477 3.613 -13.066 1.00 0.67 H new ATOM 0 HD22 LEU A 83 7.866 4.068 -11.457 1.00 0.67 H new ATOM 0 HD23 LEU A 83 9.171 5.013 -12.213 1.00 0.67 H new ATOM 1287 N LYS A 84 9.979 4.161 -6.689 1.00 0.55 N ATOM 1288 CA LYS A 84 10.624 3.998 -5.387 1.00 0.55 C ATOM 1289 C LYS A 84 9.990 2.802 -4.691 1.00 0.50 C ATOM 1290 O LYS A 84 10.709 1.988 -4.118 1.00 0.52 O ATOM 1291 CB LYS A 84 10.536 5.255 -4.504 1.00 0.58 C ATOM 1292 CG LYS A 84 11.672 6.270 -4.736 1.00 0.68 C ATOM 1293 CD LYS A 84 11.220 7.462 -5.586 1.00 0.85 C ATOM 1294 CE LYS A 84 12.328 8.497 -5.801 1.00 0.94 C ATOM 1295 NZ LYS A 84 12.563 9.328 -4.599 1.00 1.51 N ATOM 0 H LYS A 84 9.462 5.030 -6.824 1.00 0.55 H new ATOM 0 HA LYS A 84 11.689 3.832 -5.551 1.00 0.55 H new ATOM 0 HB2 LYS A 84 9.581 5.747 -4.686 1.00 0.58 H new ATOM 0 HB3 LYS A 84 10.543 4.951 -3.457 1.00 0.58 H new ATOM 0 HG2 LYS A 84 12.037 6.630 -3.774 1.00 0.68 H new ATOM 0 HG3 LYS A 84 12.507 5.771 -5.228 1.00 0.68 H new ATOM 0 HD2 LYS A 84 10.875 7.101 -6.555 1.00 0.85 H new ATOM 0 HD3 LYS A 84 10.369 7.943 -5.104 1.00 0.85 H new ATOM 0 HE2 LYS A 84 13.252 7.986 -6.072 1.00 0.94 H new ATOM 0 HE3 LYS A 84 12.062 9.141 -6.639 1.00 0.94 H new ATOM 0 HZ1 LYS A 84 13.321 10.013 -4.793 1.00 1.51 H new ATOM 0 HZ2 LYS A 84 11.690 9.838 -4.353 1.00 1.51 H new ATOM 0 HZ3 LYS A 84 12.843 8.718 -3.805 1.00 1.51 H new ATOM 1309 N VAL A 85 8.663 2.672 -4.745 1.00 0.48 N ATOM 1310 CA VAL A 85 8.019 1.481 -4.217 1.00 0.44 C ATOM 1311 C VAL A 85 8.473 0.247 -4.975 1.00 0.45 C ATOM 1312 O VAL A 85 9.083 -0.602 -4.350 1.00 0.59 O ATOM 1313 CB VAL A 85 6.497 1.637 -4.135 1.00 0.45 C ATOM 1314 CG1 VAL A 85 5.785 0.373 -3.634 1.00 0.46 C ATOM 1315 CG2 VAL A 85 6.269 2.739 -3.115 1.00 0.53 C ATOM 0 H VAL A 85 8.029 3.365 -5.142 1.00 0.48 H new ATOM 0 HA VAL A 85 8.339 1.343 -3.184 1.00 0.44 H new ATOM 0 HB VAL A 85 6.098 1.847 -5.128 1.00 0.45 H new ATOM 0 HG11 VAL A 85 4.710 0.550 -3.599 1.00 0.46 H new ATOM 0 HG12 VAL A 85 5.994 -0.455 -4.311 1.00 0.46 H new ATOM 0 HG13 VAL A 85 6.144 0.125 -2.635 1.00 0.46 H new ATOM 0 HG21 VAL A 85 5.199 2.911 -2.999 1.00 0.53 H new ATOM 0 HG22 VAL A 85 6.695 2.442 -2.157 1.00 0.53 H new ATOM 0 HG23 VAL A 85 6.749 3.656 -3.457 1.00 0.53 H new ATOM 1325 N GLN A 86 8.227 0.114 -6.281 1.00 0.38 N ATOM 1326 CA GLN A 86 8.579 -1.115 -6.995 1.00 0.42 C ATOM 1327 C GLN A 86 10.014 -1.542 -6.698 1.00 0.42 C ATOM 1328 O GLN A 86 10.264 -2.690 -6.352 1.00 0.46 O ATOM 1329 CB GLN A 86 8.413 -0.959 -8.521 1.00 0.53 C ATOM 1330 CG GLN A 86 7.149 -1.639 -9.054 1.00 0.71 C ATOM 1331 CD GLN A 86 7.272 -2.153 -10.489 1.00 1.15 C ATOM 1332 OE1 GLN A 86 8.356 -2.286 -11.041 1.00 1.66 O ATOM 1333 NE2 GLN A 86 6.151 -2.482 -11.115 1.00 1.95 N ATOM 0 H GLN A 86 7.791 0.832 -6.859 1.00 0.38 H new ATOM 0 HA GLN A 86 7.891 -1.882 -6.639 1.00 0.42 H new ATOM 0 HB2 GLN A 86 8.383 0.101 -8.772 1.00 0.53 H new ATOM 0 HB3 GLN A 86 9.285 -1.380 -9.021 1.00 0.53 H new ATOM 0 HG2 GLN A 86 6.896 -2.474 -8.401 1.00 0.71 H new ATOM 0 HG3 GLN A 86 6.321 -0.932 -9.003 1.00 0.71 H new ATOM 0 HE21 GLN A 86 5.252 -2.367 -10.646 1.00 1.95 H new ATOM 0 HE22 GLN A 86 6.187 -2.850 -12.066 1.00 1.95 H new ATOM 1342 N LYS A 87 10.962 -0.615 -6.822 1.00 0.43 N ATOM 1343 CA LYS A 87 12.359 -0.864 -6.550 1.00 0.47 C ATOM 1344 C LYS A 87 12.556 -1.410 -5.139 1.00 0.42 C ATOM 1345 O LYS A 87 13.227 -2.422 -4.961 1.00 0.46 O ATOM 1346 CB LYS A 87 13.127 0.441 -6.780 1.00 0.59 C ATOM 1347 CG LYS A 87 14.608 0.184 -6.540 1.00 0.94 C ATOM 1348 CD LYS A 87 15.477 1.366 -6.957 1.00 1.01 C ATOM 1349 CE LYS A 87 16.844 0.760 -7.264 1.00 2.02 C ATOM 1350 NZ LYS A 87 17.899 1.781 -7.424 1.00 2.14 N ATOM 0 H LYS A 87 10.769 0.341 -7.119 1.00 0.43 H new ATOM 0 HA LYS A 87 12.745 -1.629 -7.223 1.00 0.47 H new ATOM 0 HB2 LYS A 87 12.966 0.800 -7.796 1.00 0.59 H new ATOM 0 HB3 LYS A 87 12.764 1.217 -6.106 1.00 0.59 H new ATOM 0 HG2 LYS A 87 14.771 -0.029 -5.483 1.00 0.94 H new ATOM 0 HG3 LYS A 87 14.915 -0.703 -7.094 1.00 0.94 H new ATOM 0 HD2 LYS A 87 15.064 1.871 -7.830 1.00 1.01 H new ATOM 0 HD3 LYS A 87 15.543 2.108 -6.161 1.00 1.01 H new ATOM 0 HE2 LYS A 87 17.123 0.078 -6.460 1.00 2.02 H new ATOM 0 HE3 LYS A 87 16.777 0.167 -8.176 1.00 2.02 H new ATOM 0 HZ1 LYS A 87 18.805 1.314 -7.631 1.00 2.14 H new ATOM 0 HZ2 LYS A 87 17.650 2.417 -8.208 1.00 2.14 H new ATOM 0 HZ3 LYS A 87 17.986 2.331 -6.546 1.00 2.14 H new ATOM 1364 N ASN A 88 12.006 -0.731 -4.134 1.00 0.39 N ATOM 1365 CA ASN A 88 12.190 -1.123 -2.742 1.00 0.39 C ATOM 1366 C ASN A 88 11.254 -2.269 -2.348 1.00 0.43 C ATOM 1367 O ASN A 88 11.324 -2.745 -1.219 1.00 0.73 O ATOM 1368 CB ASN A 88 11.946 0.083 -1.821 1.00 0.44 C ATOM 1369 CG ASN A 88 12.951 1.208 -2.043 1.00 0.50 C ATOM 1370 OD1 ASN A 88 14.053 0.995 -2.538 1.00 1.13 O ATOM 1371 ND2 ASN A 88 12.602 2.432 -1.669 1.00 0.85 N ATOM 0 H ASN A 88 11.426 0.098 -4.262 1.00 0.39 H new ATOM 0 HA ASN A 88 13.216 -1.472 -2.629 1.00 0.39 H new ATOM 0 HB2 ASN A 88 10.938 0.464 -1.988 1.00 0.44 H new ATOM 0 HB3 ASN A 88 11.996 -0.243 -0.782 1.00 0.44 H new ATOM 0 HD21 ASN A 88 13.253 3.208 -1.792 1.00 0.85 H new ATOM 0 HD22 ASN A 88 11.683 2.597 -1.259 1.00 0.85 H new ATOM 1378 N ALA A 89 10.340 -2.677 -3.231 1.00 0.38 N ATOM 1379 CA ALA A 89 9.233 -3.554 -2.911 1.00 0.36 C ATOM 1380 C ALA A 89 8.625 -4.135 -4.190 1.00 0.38 C ATOM 1381 O ALA A 89 7.461 -3.878 -4.514 1.00 0.34 O ATOM 1382 CB ALA A 89 8.176 -2.745 -2.164 1.00 0.38 C ATOM 0 H ALA A 89 10.358 -2.394 -4.211 1.00 0.38 H new ATOM 0 HA ALA A 89 9.588 -4.379 -2.293 1.00 0.36 H new ATOM 0 HB1 ALA A 89 7.333 -3.390 -1.914 1.00 0.38 H new ATOM 0 HB2 ALA A 89 8.607 -2.341 -1.248 1.00 0.38 H new ATOM 0 HB3 ALA A 89 7.831 -1.926 -2.795 1.00 0.38 H new ATOM 1388 N PRO A 90 9.367 -4.999 -4.894 1.00 0.51 N ATOM 1389 CA PRO A 90 8.953 -5.535 -6.184 1.00 0.63 C ATOM 1390 C PRO A 90 7.784 -6.523 -6.069 1.00 0.81 C ATOM 1391 O PRO A 90 7.317 -7.048 -7.074 1.00 1.70 O ATOM 1392 CB PRO A 90 10.216 -6.183 -6.761 1.00 0.73 C ATOM 1393 CG PRO A 90 11.026 -6.561 -5.521 1.00 0.73 C ATOM 1394 CD PRO A 90 10.715 -5.421 -4.558 1.00 0.61 C ATOM 0 HA PRO A 90 8.565 -4.753 -6.837 1.00 0.63 H new ATOM 0 HB2 PRO A 90 9.977 -7.058 -7.366 1.00 0.73 H new ATOM 0 HB3 PRO A 90 10.764 -5.492 -7.402 1.00 0.73 H new ATOM 0 HG2 PRO A 90 10.722 -7.527 -5.117 1.00 0.73 H new ATOM 0 HG3 PRO A 90 12.092 -6.628 -5.738 1.00 0.73 H new ATOM 0 HD2 PRO A 90 10.777 -5.752 -3.521 1.00 0.61 H new ATOM 0 HD3 PRO A 90 11.425 -4.602 -4.674 1.00 0.61 H new ATOM 1402 N LYS A 91 7.290 -6.768 -4.852 1.00 0.41 N ATOM 1403 CA LYS A 91 6.206 -7.689 -4.557 1.00 0.42 C ATOM 1404 C LYS A 91 5.007 -6.928 -3.998 1.00 0.38 C ATOM 1405 O LYS A 91 3.885 -7.190 -4.418 1.00 0.42 O ATOM 1406 CB LYS A 91 6.696 -8.833 -3.654 1.00 0.48 C ATOM 1407 CG LYS A 91 7.845 -8.439 -2.713 1.00 1.09 C ATOM 1408 CD LYS A 91 8.185 -9.572 -1.737 1.00 1.11 C ATOM 1409 CE LYS A 91 9.683 -9.583 -1.419 1.00 2.07 C ATOM 1410 NZ LYS A 91 10.459 -10.394 -2.375 1.00 2.95 N ATOM 0 H LYS A 91 7.654 -6.308 -4.017 1.00 0.41 H new ATOM 0 HA LYS A 91 5.864 -8.165 -5.476 1.00 0.42 H new ATOM 0 HB2 LYS A 91 5.859 -9.195 -3.057 1.00 0.48 H new ATOM 0 HB3 LYS A 91 7.022 -9.663 -4.281 1.00 0.48 H new ATOM 0 HG2 LYS A 91 8.728 -8.186 -3.301 1.00 1.09 H new ATOM 0 HG3 LYS A 91 7.568 -7.546 -2.153 1.00 1.09 H new ATOM 0 HD2 LYS A 91 7.614 -9.449 -0.817 1.00 1.11 H new ATOM 0 HD3 LYS A 91 7.893 -10.530 -2.168 1.00 1.11 H new ATOM 0 HE2 LYS A 91 10.060 -8.560 -1.426 1.00 2.07 H new ATOM 0 HE3 LYS A 91 9.834 -9.972 -0.412 1.00 2.07 H new ATOM 0 HZ1 LYS A 91 11.466 -10.368 -2.115 1.00 2.95 H new ATOM 0 HZ2 LYS A 91 10.120 -11.377 -2.351 1.00 2.95 H new ATOM 0 HZ3 LYS A 91 10.339 -10.010 -3.334 1.00 2.95 H new ATOM 1424 N THR A 92 5.202 -5.953 -3.108 1.00 0.35 N ATOM 1425 CA THR A 92 4.105 -5.117 -2.627 1.00 0.36 C ATOM 1426 C THR A 92 3.412 -4.416 -3.788 1.00 0.43 C ATOM 1427 O THR A 92 2.188 -4.387 -3.858 1.00 0.49 O ATOM 1428 CB THR A 92 4.647 -4.076 -1.650 1.00 0.33 C ATOM 1429 OG1 THR A 92 5.638 -4.686 -0.862 1.00 0.36 O ATOM 1430 CG2 THR A 92 3.566 -3.517 -0.727 1.00 0.34 C ATOM 0 H THR A 92 6.111 -5.724 -2.706 1.00 0.35 H new ATOM 0 HA THR A 92 3.378 -5.753 -2.122 1.00 0.36 H new ATOM 0 HB THR A 92 5.044 -3.244 -2.233 1.00 0.33 H new ATOM 0 HG1 THR A 92 5.662 -4.261 0.021 1.00 0.36 H new ATOM 0 HG21 THR A 92 4.007 -2.782 -0.054 1.00 0.34 H new ATOM 0 HG22 THR A 92 2.788 -3.042 -1.324 1.00 0.34 H new ATOM 0 HG23 THR A 92 3.131 -4.328 -0.143 1.00 0.34 H new ATOM 1438 N PHE A 93 4.185 -3.857 -4.719 1.00 0.44 N ATOM 1439 CA PHE A 93 3.587 -3.181 -5.859 1.00 0.52 C ATOM 1440 C PHE A 93 2.742 -4.140 -6.664 1.00 0.56 C ATOM 1441 O PHE A 93 1.596 -3.860 -7.008 1.00 0.60 O ATOM 1442 CB PHE A 93 4.683 -2.601 -6.745 1.00 0.55 C ATOM 1443 CG PHE A 93 4.233 -1.442 -7.608 1.00 0.73 C ATOM 1444 CD1 PHE A 93 3.572 -1.670 -8.830 1.00 1.61 C ATOM 1445 CD2 PHE A 93 4.474 -0.123 -7.182 1.00 1.81 C ATOM 1446 CE1 PHE A 93 3.156 -0.581 -9.619 1.00 1.68 C ATOM 1447 CE2 PHE A 93 4.051 0.964 -7.961 1.00 1.96 C ATOM 1448 CZ PHE A 93 3.391 0.736 -9.182 1.00 1.15 C ATOM 0 H PHE A 93 5.205 -3.860 -4.705 1.00 0.44 H new ATOM 0 HA PHE A 93 2.949 -2.378 -5.490 1.00 0.52 H new ATOM 0 HB2 PHE A 93 5.508 -2.271 -6.114 1.00 0.55 H new ATOM 0 HB3 PHE A 93 5.070 -3.391 -7.389 1.00 0.55 H new ATOM 0 HD1 PHE A 93 3.384 -2.680 -9.162 1.00 1.61 H new ATOM 0 HD2 PHE A 93 4.988 0.054 -6.249 1.00 1.81 H new ATOM 0 HE1 PHE A 93 2.656 -0.756 -10.560 1.00 1.68 H new ATOM 0 HE2 PHE A 93 4.232 1.974 -7.624 1.00 1.96 H new ATOM 0 HZ PHE A 93 3.065 1.571 -9.784 1.00 1.15 H new ATOM 1458 N GLN A 94 3.331 -5.293 -6.951 1.00 0.56 N ATOM 1459 CA GLN A 94 2.631 -6.331 -7.663 1.00 0.58 C ATOM 1460 C GLN A 94 1.324 -6.683 -6.944 1.00 0.56 C ATOM 1461 O GLN A 94 0.337 -6.996 -7.596 1.00 0.60 O ATOM 1462 CB GLN A 94 3.561 -7.534 -7.843 1.00 0.61 C ATOM 1463 CG GLN A 94 2.791 -8.764 -8.318 1.00 0.97 C ATOM 1464 CD GLN A 94 3.746 -9.873 -8.743 1.00 0.97 C ATOM 1465 OE1 GLN A 94 4.277 -10.604 -7.915 1.00 1.37 O ATOM 1466 NE2 GLN A 94 3.999 -10.004 -10.039 1.00 1.57 N ATOM 0 H GLN A 94 4.292 -5.524 -6.698 1.00 0.56 H new ATOM 0 HA GLN A 94 2.348 -5.985 -8.657 1.00 0.58 H new ATOM 0 HB2 GLN A 94 4.340 -7.289 -8.565 1.00 0.61 H new ATOM 0 HB3 GLN A 94 4.059 -7.756 -6.899 1.00 0.61 H new ATOM 0 HG2 GLN A 94 2.143 -9.123 -7.519 1.00 0.97 H new ATOM 0 HG3 GLN A 94 2.146 -8.494 -9.154 1.00 0.97 H new ATOM 0 HE21 GLN A 94 3.547 -9.385 -10.712 1.00 1.57 H new ATOM 0 HE22 GLN A 94 4.646 -10.723 -10.362 1.00 1.57 H new ATOM 1475 N PHE A 95 1.311 -6.625 -5.612 1.00 0.54 N ATOM 1476 CA PHE A 95 0.192 -7.044 -4.783 1.00 0.55 C ATOM 1477 C PHE A 95 -1.058 -6.236 -5.121 1.00 0.54 C ATOM 1478 O PHE A 95 -2.084 -6.788 -5.515 1.00 0.58 O ATOM 1479 CB PHE A 95 0.587 -6.884 -3.309 1.00 0.60 C ATOM 1480 CG PHE A 95 -0.225 -7.716 -2.356 1.00 0.67 C ATOM 1481 CD1 PHE A 95 -1.566 -7.388 -2.091 1.00 0.68 C ATOM 1482 CD2 PHE A 95 0.378 -8.809 -1.715 1.00 0.86 C ATOM 1483 CE1 PHE A 95 -2.314 -8.172 -1.195 1.00 0.80 C ATOM 1484 CE2 PHE A 95 -0.366 -9.580 -0.817 1.00 1.00 C ATOM 1485 CZ PHE A 95 -1.714 -9.276 -0.563 1.00 0.94 C ATOM 0 H PHE A 95 2.101 -6.275 -5.070 1.00 0.54 H new ATOM 0 HA PHE A 95 -0.044 -8.091 -4.975 1.00 0.55 H new ATOM 0 HB2 PHE A 95 1.639 -7.147 -3.197 1.00 0.60 H new ATOM 0 HB3 PHE A 95 0.489 -5.835 -3.031 1.00 0.60 H new ATOM 0 HD1 PHE A 95 -2.021 -6.536 -2.574 1.00 0.68 H new ATOM 0 HD2 PHE A 95 1.411 -9.053 -1.914 1.00 0.86 H new ATOM 0 HE1 PHE A 95 -3.346 -7.927 -0.993 1.00 0.80 H new ATOM 0 HE2 PHE A 95 0.099 -10.416 -0.315 1.00 1.00 H new ATOM 0 HZ PHE A 95 -2.288 -9.889 0.116 1.00 0.94 H new ATOM 1495 N ILE A 96 -0.981 -4.914 -4.965 1.00 0.53 N ATOM 1496 CA ILE A 96 -2.083 -4.035 -5.323 1.00 0.58 C ATOM 1497 C ILE A 96 -2.372 -4.181 -6.814 1.00 0.63 C ATOM 1498 O ILE A 96 -3.527 -4.150 -7.222 1.00 0.75 O ATOM 1499 CB ILE A 96 -1.777 -2.573 -4.948 1.00 0.60 C ATOM 1500 CG1 ILE A 96 -1.788 -2.348 -3.427 1.00 0.76 C ATOM 1501 CG2 ILE A 96 -2.833 -1.638 -5.544 1.00 0.69 C ATOM 1502 CD1 ILE A 96 -0.416 -2.577 -2.812 1.00 0.91 C ATOM 0 H ILE A 96 -0.163 -4.432 -4.592 1.00 0.53 H new ATOM 0 HA ILE A 96 -2.970 -4.323 -4.759 1.00 0.58 H new ATOM 0 HB ILE A 96 -0.784 -2.360 -5.343 1.00 0.60 H new ATOM 0 HG12 ILE A 96 -2.117 -1.331 -3.212 1.00 0.76 H new ATOM 0 HG13 ILE A 96 -2.510 -3.021 -2.965 1.00 0.76 H new ATOM 0 HG21 ILE A 96 -2.603 -0.608 -5.270 1.00 0.69 H new ATOM 0 HG22 ILE A 96 -2.832 -1.734 -6.630 1.00 0.69 H new ATOM 0 HG23 ILE A 96 -3.816 -1.906 -5.157 1.00 0.69 H new ATOM 0 HD11 ILE A 96 -0.467 -2.408 -1.736 1.00 0.91 H new ATOM 0 HD12 ILE A 96 -0.098 -3.602 -3.004 1.00 0.91 H new ATOM 0 HD13 ILE A 96 0.301 -1.886 -3.255 1.00 0.91 H new ATOM 1514 N ASN A 97 -1.336 -4.322 -7.645 1.00 0.60 N ATOM 1515 CA ASN A 97 -1.547 -4.443 -9.079 1.00 0.66 C ATOM 1516 C ASN A 97 -2.398 -5.670 -9.424 1.00 0.71 C ATOM 1517 O ASN A 97 -3.079 -5.674 -10.446 1.00 0.86 O ATOM 1518 CB ASN A 97 -0.207 -4.489 -9.817 1.00 0.66 C ATOM 1519 CG ASN A 97 -0.374 -4.004 -11.247 1.00 0.78 C ATOM 1520 OD1 ASN A 97 -0.323 -2.806 -11.500 1.00 1.41 O ATOM 1521 ND2 ASN A 97 -0.557 -4.904 -12.203 1.00 1.32 N ATOM 0 H ASN A 97 -0.360 -4.354 -7.350 1.00 0.60 H new ATOM 0 HA ASN A 97 -2.096 -3.561 -9.408 1.00 0.66 H new ATOM 0 HB2 ASN A 97 0.523 -3.867 -9.298 1.00 0.66 H new ATOM 0 HB3 ASN A 97 0.182 -5.507 -9.815 1.00 0.66 H new ATOM 0 HD21 ASN A 97 -0.659 -4.604 -13.173 1.00 1.32 H new ATOM 0 HD22 ASN A 97 -0.596 -5.896 -11.969 1.00 1.32 H new ATOM 1528 N ASP A 98 -2.333 -6.714 -8.593 1.00 0.63 N ATOM 1529 CA ASP A 98 -3.147 -7.916 -8.706 1.00 0.68 C ATOM 1530 C ASP A 98 -4.598 -7.568 -8.384 1.00 0.75 C ATOM 1531 O ASP A 98 -5.505 -7.784 -9.188 1.00 0.96 O ATOM 1532 CB ASP A 98 -2.626 -8.986 -7.731 1.00 0.66 C ATOM 1533 CG ASP A 98 -2.667 -10.380 -8.345 1.00 0.92 C ATOM 1534 OD1 ASP A 98 -1.669 -10.737 -9.012 1.00 2.21 O ATOM 1535 OD2 ASP A 98 -3.682 -11.075 -8.124 1.00 1.66 O ATOM 0 H ASP A 98 -1.691 -6.742 -7.801 1.00 0.63 H new ATOM 0 HA ASP A 98 -3.089 -8.310 -9.721 1.00 0.68 H new ATOM 0 HB2 ASP A 98 -1.603 -8.746 -7.442 1.00 0.66 H new ATOM 0 HB3 ASP A 98 -3.226 -8.972 -6.821 1.00 0.66 H new ATOM 1540 N GLN A 99 -4.828 -7.025 -7.185 1.00 0.64 N ATOM 1541 CA GLN A 99 -6.174 -6.712 -6.744 1.00 0.75 C ATOM 1542 C GLN A 99 -6.642 -5.388 -7.349 1.00 0.82 C ATOM 1543 O GLN A 99 -6.480 -4.319 -6.757 1.00 1.63 O ATOM 1544 CB GLN A 99 -6.268 -6.708 -5.211 1.00 0.84 C ATOM 1545 CG GLN A 99 -6.595 -8.110 -4.677 1.00 1.36 C ATOM 1546 CD GLN A 99 -7.977 -8.589 -5.129 1.00 1.93 C ATOM 1547 OE1 GLN A 99 -8.860 -7.797 -5.428 1.00 2.55 O ATOM 1548 NE2 GLN A 99 -8.193 -9.896 -5.206 1.00 2.79 N ATOM 0 H GLN A 99 -4.097 -6.797 -6.511 1.00 0.64 H new ATOM 0 HA GLN A 99 -6.845 -7.493 -7.101 1.00 0.75 H new ATOM 0 HB2 GLN A 99 -5.325 -6.364 -4.786 1.00 0.84 H new ATOM 0 HB3 GLN A 99 -7.037 -6.005 -4.892 1.00 0.84 H new ATOM 0 HG2 GLN A 99 -5.837 -8.814 -5.020 1.00 1.36 H new ATOM 0 HG3 GLN A 99 -6.553 -8.102 -3.588 1.00 1.36 H new ATOM 0 HE21 GLN A 99 -7.452 -10.551 -4.955 1.00 2.79 H new ATOM 0 HE22 GLN A 99 -9.100 -10.246 -5.516 1.00 2.79 H new ATOM 1557 N ILE A 100 -7.256 -5.474 -8.530 1.00 1.21 N ATOM 1558 CA ILE A 100 -7.768 -4.324 -9.261 1.00 1.27 C ATOM 1559 C ILE A 100 -8.666 -3.431 -8.392 1.00 1.70 C ATOM 1560 O ILE A 100 -9.487 -3.904 -7.608 1.00 2.95 O ATOM 1561 CB ILE A 100 -8.493 -4.783 -10.537 1.00 2.59 C ATOM 1562 CG1 ILE A 100 -9.735 -5.658 -10.244 1.00 4.02 C ATOM 1563 CG2 ILE A 100 -7.507 -5.507 -11.471 1.00 3.43 C ATOM 1564 CD1 ILE A 100 -11.003 -5.039 -10.834 1.00 5.18 C ATOM 0 H ILE A 100 -7.412 -6.361 -9.009 1.00 1.21 H new ATOM 0 HA ILE A 100 -6.915 -3.710 -9.549 1.00 1.27 H new ATOM 0 HB ILE A 100 -8.868 -3.890 -11.037 1.00 2.59 H new ATOM 0 HG12 ILE A 100 -9.587 -6.654 -10.660 1.00 4.02 H new ATOM 0 HG13 ILE A 100 -9.853 -5.777 -9.167 1.00 4.02 H new ATOM 0 HG21 ILE A 100 -8.029 -5.829 -12.372 1.00 3.43 H new ATOM 0 HG22 ILE A 100 -6.698 -4.829 -11.743 1.00 3.43 H new ATOM 0 HG23 ILE A 100 -7.094 -6.377 -10.960 1.00 3.43 H new ATOM 0 HD11 ILE A 100 -11.858 -5.678 -10.611 1.00 5.18 H new ATOM 0 HD12 ILE A 100 -11.163 -4.053 -10.398 1.00 5.18 H new ATOM 0 HD13 ILE A 100 -10.893 -4.944 -11.914 1.00 5.18 H new ATOM 1576 N LYS A 101 -8.531 -2.110 -8.542 1.00 2.37 N ATOM 1577 CA LYS A 101 -9.280 -1.173 -7.718 1.00 3.70 C ATOM 1578 C LYS A 101 -10.633 -0.886 -8.363 1.00 3.32 C ATOM 1579 O LYS A 101 -10.691 -0.351 -9.469 1.00 3.81 O ATOM 1580 CB LYS A 101 -8.437 0.089 -7.469 1.00 5.62 C ATOM 1581 CG LYS A 101 -8.222 0.988 -8.698 1.00 7.06 C ATOM 1582 CD LYS A 101 -9.181 2.186 -8.708 1.00 8.46 C ATOM 1583 CE LYS A 101 -9.181 2.829 -10.100 1.00 9.39 C ATOM 1584 NZ LYS A 101 -9.225 4.306 -10.033 1.00 11.21 N ATOM 0 H LYS A 101 -7.912 -1.673 -9.224 1.00 2.37 H new ATOM 0 HA LYS A 101 -9.489 -1.605 -6.739 1.00 3.70 H new ATOM 0 HB2 LYS A 101 -8.917 0.678 -6.688 1.00 5.62 H new ATOM 0 HB3 LYS A 101 -7.463 -0.214 -7.086 1.00 5.62 H new ATOM 0 HG2 LYS A 101 -7.193 1.347 -8.709 1.00 7.06 H new ATOM 0 HG3 LYS A 101 -8.365 0.402 -9.606 1.00 7.06 H new ATOM 0 HD2 LYS A 101 -10.188 1.862 -8.446 1.00 8.46 H new ATOM 0 HD3 LYS A 101 -8.876 2.916 -7.958 1.00 8.46 H new ATOM 0 HE2 LYS A 101 -8.288 2.518 -10.642 1.00 9.39 H new ATOM 0 HE3 LYS A 101 -10.039 2.467 -10.666 1.00 9.39 H new ATOM 0 HZ1 LYS A 101 -9.223 4.697 -10.997 1.00 11.21 H new ATOM 0 HZ2 LYS A 101 -10.090 4.605 -9.539 1.00 11.21 H new ATOM 0 HZ3 LYS A 101 -8.393 4.655 -9.516 1.00 11.21 H new ATOM 1598 N PHE A 102 -11.729 -1.203 -7.675 1.00 3.21 N ATOM 1599 CA PHE A 102 -13.058 -0.839 -8.139 1.00 3.33 C ATOM 1600 C PHE A 102 -13.965 -0.737 -6.913 1.00 3.12 C ATOM 1601 O PHE A 102 -14.388 -1.756 -6.376 1.00 3.23 O ATOM 1602 CB PHE A 102 -13.546 -1.887 -9.155 1.00 3.81 C ATOM 1603 CG PHE A 102 -14.494 -1.343 -10.203 1.00 4.49 C ATOM 1604 CD1 PHE A 102 -13.985 -0.543 -11.243 1.00 4.94 C ATOM 1605 CD2 PHE A 102 -15.863 -1.669 -10.177 1.00 5.62 C ATOM 1606 CE1 PHE A 102 -14.839 -0.073 -12.257 1.00 5.95 C ATOM 1607 CE2 PHE A 102 -16.715 -1.201 -11.192 1.00 6.60 C ATOM 1608 CZ PHE A 102 -16.205 -0.405 -12.233 1.00 6.57 C ATOM 0 H PHE A 102 -11.718 -1.713 -6.792 1.00 3.21 H new ATOM 0 HA PHE A 102 -13.062 0.123 -8.652 1.00 3.33 H new ATOM 0 HB2 PHE A 102 -12.681 -2.322 -9.655 1.00 3.81 H new ATOM 0 HB3 PHE A 102 -14.042 -2.695 -8.617 1.00 3.81 H new ATOM 0 HD1 PHE A 102 -12.935 -0.289 -11.263 1.00 4.94 H new ATOM 0 HD2 PHE A 102 -16.258 -2.278 -9.378 1.00 5.62 H new ATOM 0 HE1 PHE A 102 -14.446 0.542 -13.053 1.00 5.95 H new ATOM 0 HE2 PHE A 102 -17.765 -1.454 -11.172 1.00 6.60 H new ATOM 0 HZ PHE A 102 -16.862 -0.049 -13.013 1.00 6.57 H new ATOM 1618 N ILE A 103 -14.220 0.477 -6.420 1.00 3.25 N ATOM 1619 CA ILE A 103 -15.069 0.685 -5.259 1.00 3.14 C ATOM 1620 C ILE A 103 -15.807 2.000 -5.486 1.00 3.30 C ATOM 1621 O ILE A 103 -15.179 2.996 -5.843 1.00 3.73 O ATOM 1622 CB ILE A 103 -14.227 0.610 -3.971 1.00 3.15 C ATOM 1623 CG1 ILE A 103 -14.996 0.016 -2.781 1.00 2.98 C ATOM 1624 CG2 ILE A 103 -13.583 1.947 -3.612 1.00 3.52 C ATOM 1625 CD1 ILE A 103 -16.042 0.930 -2.133 1.00 4.33 C ATOM 0 H ILE A 103 -13.842 1.337 -6.817 1.00 3.25 H new ATOM 0 HA ILE A 103 -15.820 -0.094 -5.129 1.00 3.14 H new ATOM 0 HB ILE A 103 -13.418 -0.085 -4.196 1.00 3.15 H new ATOM 0 HG12 ILE A 103 -15.494 -0.894 -3.114 1.00 2.98 H new ATOM 0 HG13 ILE A 103 -14.275 -0.276 -2.018 1.00 2.98 H new ATOM 0 HG21 ILE A 103 -13.002 1.837 -2.697 1.00 3.52 H new ATOM 0 HG22 ILE A 103 -12.927 2.264 -4.423 1.00 3.52 H new ATOM 0 HG23 ILE A 103 -14.360 2.696 -3.460 1.00 3.52 H new ATOM 0 HD11 ILE A 103 -16.520 0.406 -1.306 1.00 4.33 H new ATOM 0 HD12 ILE A 103 -15.556 1.831 -1.759 1.00 4.33 H new ATOM 0 HD13 ILE A 103 -16.794 1.204 -2.873 1.00 4.33 H new ATOM 1637 N ILE A 104 -17.131 1.976 -5.312 1.00 3.49 N ATOM 1638 CA ILE A 104 -18.031 3.071 -5.647 1.00 3.70 C ATOM 1639 C ILE A 104 -17.943 3.414 -7.141 1.00 3.47 C ATOM 1640 O ILE A 104 -17.166 2.826 -7.892 1.00 3.78 O ATOM 1641 CB ILE A 104 -17.819 4.247 -4.655 1.00 4.84 C ATOM 1642 CG1 ILE A 104 -19.142 4.608 -3.961 1.00 6.02 C ATOM 1643 CG2 ILE A 104 -17.211 5.524 -5.257 1.00 5.44 C ATOM 1644 CD1 ILE A 104 -19.530 3.556 -2.914 1.00 6.84 C ATOM 0 H ILE A 104 -17.616 1.168 -4.922 1.00 3.49 H new ATOM 0 HA ILE A 104 -19.072 2.778 -5.513 1.00 3.70 H new ATOM 0 HB ILE A 104 -17.082 3.869 -3.946 1.00 4.84 H new ATOM 0 HG12 ILE A 104 -19.049 5.583 -3.482 1.00 6.02 H new ATOM 0 HG13 ILE A 104 -19.934 4.692 -4.705 1.00 6.02 H new ATOM 0 HG21 ILE A 104 -17.107 6.279 -4.478 1.00 5.44 H new ATOM 0 HG22 ILE A 104 -16.231 5.298 -5.676 1.00 5.44 H new ATOM 0 HG23 ILE A 104 -17.864 5.902 -6.044 1.00 5.44 H new ATOM 0 HD11 ILE A 104 -20.470 3.842 -2.442 1.00 6.84 H new ATOM 0 HD12 ILE A 104 -19.647 2.587 -3.398 1.00 6.84 H new ATOM 0 HD13 ILE A 104 -18.749 3.491 -2.157 1.00 6.84 H new ATOM 1656 N ASN A 105 -18.784 4.338 -7.600 1.00 3.96 N ATOM 1657 CA ASN A 105 -18.595 5.040 -8.862 1.00 4.75 C ATOM 1658 C ASN A 105 -19.340 6.370 -8.757 1.00 5.59 C ATOM 1659 O ASN A 105 -20.008 6.613 -7.750 1.00 5.87 O ATOM 1660 CB ASN A 105 -19.081 4.197 -10.053 1.00 5.37 C ATOM 1661 CG ASN A 105 -17.942 3.959 -11.036 1.00 6.14 C ATOM 1662 OD1 ASN A 105 -17.826 4.637 -12.047 1.00 7.08 O ATOM 1663 ND2 ASN A 105 -17.060 3.016 -10.739 1.00 6.57 N ATOM 0 H ASN A 105 -19.625 4.622 -7.098 1.00 3.96 H new ATOM 0 HA ASN A 105 -17.536 5.221 -9.045 1.00 4.75 H new ATOM 0 HB2 ASN A 105 -19.468 3.242 -9.697 1.00 5.37 H new ATOM 0 HB3 ASN A 105 -19.903 4.706 -10.556 1.00 5.37 H new ATOM 0 HD21 ASN A 105 -16.268 2.846 -11.358 1.00 6.57 H new ATOM 0 HD22 ASN A 105 -17.173 2.460 -9.891 1.00 6.57 H new ATOM 1670 N SER A 106 -19.208 7.235 -9.760 1.00 6.51 N ATOM 1671 CA SER A 106 -20.066 8.405 -9.872 1.00 7.57 C ATOM 1672 C SER A 106 -21.332 8.030 -10.631 1.00 8.32 C ATOM 1673 O SER A 106 -21.340 6.925 -11.219 1.00 8.44 O ATOM 1674 CB SER A 106 -19.329 9.520 -10.605 1.00 8.35 C ATOM 1675 OG SER A 106 -18.077 9.740 -9.982 1.00 8.44 O ATOM 1676 OXT SER A 106 -22.251 8.874 -10.623 1.00 9.28 O ATOM 0 H SER A 106 -18.516 7.145 -10.504 1.00 6.51 H new ATOM 0 HA SER A 106 -20.333 8.757 -8.876 1.00 7.57 H new ATOM 0 HB2 SER A 106 -19.185 9.250 -11.651 1.00 8.35 H new ATOM 0 HB3 SER A 106 -19.922 10.435 -10.590 1.00 8.35 H new ATOM 0 HG SER A 106 -17.599 10.455 -10.452 1.00 8.44 H new TER 1682 SER A 106