USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 793 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 LYS NZ :NH3+ 165:sc= 0.715 (180deg=0) USER MOD Set 1.2: A 68 SER OG : rot 180:sc= 0.628 USER MOD Set 2.1: A 14 THR OG1 : rot -150:sc= 0.542 USER MOD Set 2.2: A 16 GLN : amide:sc= 0.499 X(o=1,f=0.82) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0654 (180deg=-0.465) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.155 (180deg=-1.22!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 CYS SG : rot -63:sc= 0.0401 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.235 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -136:sc= -1.59 (180deg=-4.16!) USER MOD Single : A 30 ASN : amide:sc= 0.598 K(o=0.6,f=-1.8!) USER MOD Single : A 31 LYS NZ :NH3+ -161:sc= -0.0611 (180deg=-0.434) USER MOD Single : A 35 SER OG : rot -29:sc= 0.068 USER MOD Single : A 37 THR OG1 : rot -43:sc= 0.722 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0.832 K(o=0.83,f=-4.5!) USER MOD Single : A 47 ASN :FLIP amide:sc=-0.000136 F(o=-1.2,f=-0.00014) USER MOD Single : A 48 GLN : amide:sc= -0.337 K(o=-0.34,f=-3.4!) USER MOD Single : A 49 SER OG : rot 47:sc= 0.321 USER MOD Single : A 51 HIS : no HD1:sc= -0.0678 X(o=-0.068,f=0) USER MOD Single : A 56 THR OG1 : rot -71:sc= 0.722 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot -146:sc= 0.914 USER MOD Single : A 82 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.035) USER MOD Single : A 85 ASN :FLIP amide:sc= -1.08 F(o=-2.7!,f=-1.1) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc=-0.00539 X(o=-0.0054,f=-0.0054) USER MOD Single : A 93 HIS : no HE2:sc= -0.104 K(o=-0.1,f=-3.1!) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc=-0.00487 X(o=-0.0049,f=-0.23) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.054 -13.969 20.148 1.00 22.42 N ATOM 2 CA MET A 1 -1.982 -13.847 19.119 1.00 21.03 C ATOM 3 C MET A 1 -2.412 -12.938 17.953 1.00 60.13 C ATOM 4 O MET A 1 -2.996 -13.395 16.967 1.00 43.22 O ATOM 5 CB MET A 1 -1.568 -15.240 18.607 1.00 32.32 C ATOM 6 CG MET A 1 -2.733 -16.125 18.170 1.00 2.32 C ATOM 7 SD MET A 1 -3.832 -16.551 19.537 1.00 12.12 S ATOM 8 CE MET A 1 -2.760 -17.590 20.530 1.00 44.04 C ATOM 0 H1 MET A 1 -2.736 -13.527 21.034 1.00 22.42 H new ATOM 0 H2 MET A 1 -3.914 -13.491 19.812 1.00 22.42 H new ATOM 0 H3 MET A 1 -3.260 -14.974 20.317 1.00 22.42 H new ATOM 0 HA MET A 1 -1.119 -13.379 19.592 1.00 21.03 H new ATOM 0 HB2 MET A 1 -0.886 -15.116 17.765 1.00 32.32 H new ATOM 0 HB3 MET A 1 -1.014 -15.752 19.393 1.00 32.32 H new ATOM 0 HG2 MET A 1 -3.304 -15.612 17.396 1.00 2.32 H new ATOM 0 HG3 MET A 1 -2.342 -17.040 17.724 1.00 2.32 H new ATOM 0 HE1 MET A 1 -3.363 -18.181 21.220 1.00 44.04 H new ATOM 0 HE2 MET A 1 -2.195 -18.257 19.879 1.00 44.04 H new ATOM 0 HE3 MET A 1 -2.069 -16.965 21.096 1.00 44.04 H new ATOM 20 N ASP A 2 -2.135 -11.643 18.087 1.00 72.35 N ATOM 21 CA ASP A 2 -2.487 -10.656 17.060 1.00 42.14 C ATOM 22 C ASP A 2 -1.381 -10.511 16.001 1.00 53.10 C ATOM 23 O ASP A 2 -0.256 -10.967 16.188 1.00 44.51 O ATOM 24 CB ASP A 2 -2.767 -9.296 17.720 1.00 50.44 C ATOM 25 CG ASP A 2 -3.175 -8.235 16.709 1.00 75.02 C ATOM 26 OD1 ASP A 2 -4.275 -8.357 16.129 1.00 62.34 O ATOM 27 OD2 ASP A 2 -2.376 -7.310 16.452 1.00 34.15 O ATOM 0 H ASP A 2 -1.665 -11.247 18.901 1.00 72.35 H new ATOM 0 HA ASP A 2 -3.384 -11.009 16.551 1.00 42.14 H new ATOM 0 HB2 ASP A 2 -3.558 -9.411 18.462 1.00 50.44 H new ATOM 0 HB3 ASP A 2 -1.876 -8.963 18.253 1.00 50.44 H new ATOM 32 N ARG A 3 -1.724 -9.845 14.896 1.00 64.43 N ATOM 33 CA ARG A 3 -0.788 -9.569 13.794 1.00 43.15 C ATOM 34 C ARG A 3 0.537 -8.994 14.321 1.00 44.11 C ATOM 35 O ARG A 3 1.626 -9.416 13.924 1.00 25.41 O ATOM 36 CB ARG A 3 -1.419 -8.553 12.829 1.00 74.14 C ATOM 37 CG ARG A 3 -2.853 -8.887 12.419 1.00 64.42 C ATOM 38 CD ARG A 3 -3.542 -7.698 11.761 1.00 21.11 C ATOM 39 NE ARG A 3 -4.998 -7.823 11.801 1.00 21.13 N ATOM 40 CZ ARG A 3 -5.747 -7.333 12.755 1.00 70.51 C ATOM 41 NH1 ARG A 3 -5.215 -6.743 13.778 1.00 1.42 N ATOM 42 NH2 ARG A 3 -7.032 -7.462 12.701 1.00 30.32 N ATOM 0 H ARG A 3 -2.662 -9.479 14.736 1.00 64.43 H new ATOM 0 HA ARG A 3 -0.583 -10.508 13.280 1.00 43.15 H new ATOM 0 HB2 ARG A 3 -1.406 -7.568 13.296 1.00 74.14 H new ATOM 0 HB3 ARG A 3 -0.802 -8.488 11.933 1.00 74.14 H new ATOM 0 HG2 ARG A 3 -2.847 -9.731 11.730 1.00 64.42 H new ATOM 0 HG3 ARG A 3 -3.420 -9.196 13.297 1.00 64.42 H new ATOM 0 HD2 ARG A 3 -3.242 -6.779 12.266 1.00 21.11 H new ATOM 0 HD3 ARG A 3 -3.213 -7.615 10.725 1.00 21.11 H new ATOM 0 HE ARG A 3 -5.457 -8.322 11.039 1.00 21.13 H new ATOM 0 HH11 ARG A 3 -4.201 -6.656 13.846 1.00 1.42 H new ATOM 0 HH12 ARG A 3 -5.810 -6.365 14.515 1.00 1.42 H new ATOM 0 HH21 ARG A 3 -7.463 -7.946 11.914 1.00 30.32 H new ATOM 0 HH22 ARG A 3 -7.615 -7.079 13.446 1.00 30.32 H new ATOM 56 N LYS A 4 0.422 -8.026 15.228 1.00 4.14 N ATOM 57 CA LYS A 4 1.588 -7.375 15.834 1.00 62.24 C ATOM 58 C LYS A 4 2.273 -8.293 16.858 1.00 12.12 C ATOM 59 O LYS A 4 3.473 -8.181 17.108 1.00 50.12 O ATOM 60 CB LYS A 4 1.151 -6.071 16.513 1.00 34.12 C ATOM 61 CG LYS A 4 0.492 -5.077 15.560 1.00 50.34 C ATOM 62 CD LYS A 4 -0.129 -3.899 16.311 1.00 71.41 C ATOM 63 CE LYS A 4 -0.738 -2.878 15.357 1.00 71.24 C ATOM 64 NZ LYS A 4 -1.482 -1.816 16.082 1.00 74.54 N ATOM 0 H LYS A 4 -0.473 -7.671 15.563 1.00 4.14 H new ATOM 0 HA LYS A 4 2.307 -7.158 15.044 1.00 62.24 H new ATOM 0 HB2 LYS A 4 0.455 -6.306 17.318 1.00 34.12 H new ATOM 0 HB3 LYS A 4 2.021 -5.600 16.971 1.00 34.12 H new ATOM 0 HG2 LYS A 4 1.233 -4.707 14.851 1.00 50.34 H new ATOM 0 HG3 LYS A 4 -0.278 -5.585 14.980 1.00 50.34 H new ATOM 0 HD2 LYS A 4 -0.898 -4.266 16.990 1.00 71.41 H new ATOM 0 HD3 LYS A 4 0.633 -3.416 16.923 1.00 71.41 H new ATOM 0 HE2 LYS A 4 0.052 -2.424 14.759 1.00 71.24 H new ATOM 0 HE3 LYS A 4 -1.411 -3.384 14.665 1.00 71.24 H new ATOM 0 HZ1 LYS A 4 -1.661 -1.018 15.440 1.00 74.54 H new ATOM 0 HZ2 LYS A 4 -2.388 -2.197 16.422 1.00 74.54 H new ATOM 0 HZ3 LYS A 4 -0.918 -1.489 16.893 1.00 74.54 H new ATOM 78 N LEU A 5 1.501 -9.206 17.437 1.00 55.33 N ATOM 79 CA LEU A 5 1.996 -10.120 18.480 1.00 73.10 C ATOM 80 C LEU A 5 2.522 -11.441 17.890 1.00 4.25 C ATOM 81 O LEU A 5 2.849 -12.375 18.626 1.00 63.25 O ATOM 82 CB LEU A 5 0.878 -10.395 19.504 1.00 2.14 C ATOM 83 CG LEU A 5 0.635 -9.285 20.548 1.00 53.22 C ATOM 84 CD1 LEU A 5 1.889 -9.052 21.392 1.00 14.30 C ATOM 85 CD2 LEU A 5 0.175 -7.985 19.885 1.00 21.42 C ATOM 0 H LEU A 5 0.517 -9.339 17.203 1.00 55.33 H new ATOM 0 HA LEU A 5 2.836 -9.635 18.978 1.00 73.10 H new ATOM 0 HB2 LEU A 5 -0.052 -10.567 18.961 1.00 2.14 H new ATOM 0 HB3 LEU A 5 1.114 -11.319 20.032 1.00 2.14 H new ATOM 0 HG LEU A 5 -0.165 -9.619 21.208 1.00 53.22 H new ATOM 0 HD11 LEU A 5 1.696 -8.266 22.122 1.00 14.30 H new ATOM 0 HD12 LEU A 5 2.154 -9.973 21.912 1.00 14.30 H new ATOM 0 HD13 LEU A 5 2.713 -8.752 20.744 1.00 14.30 H new ATOM 0 HD21 LEU A 5 0.013 -7.225 20.649 1.00 21.42 H new ATOM 0 HD22 LEU A 5 0.939 -7.642 19.188 1.00 21.42 H new ATOM 0 HD23 LEU A 5 -0.756 -8.161 19.345 1.00 21.42 H new ATOM 97 N LEU A 6 2.594 -11.520 16.564 1.00 23.44 N ATOM 98 CA LEU A 6 3.164 -12.692 15.880 1.00 63.21 C ATOM 99 C LEU A 6 4.580 -12.399 15.353 1.00 4.32 C ATOM 100 O LEU A 6 4.856 -11.304 14.853 1.00 22.15 O ATOM 101 CB LEU A 6 2.257 -13.133 14.721 1.00 51.21 C ATOM 102 CG LEU A 6 0.889 -13.702 15.135 1.00 62.20 C ATOM 103 CD1 LEU A 6 0.057 -14.072 13.907 1.00 54.30 C ATOM 104 CD2 LEU A 6 1.066 -14.909 16.052 1.00 52.42 C ATOM 0 H LEU A 6 2.266 -10.788 15.935 1.00 23.44 H new ATOM 0 HA LEU A 6 3.230 -13.499 16.609 1.00 63.21 H new ATOM 0 HB2 LEU A 6 2.093 -12.278 14.065 1.00 51.21 H new ATOM 0 HB3 LEU A 6 2.784 -13.887 14.136 1.00 51.21 H new ATOM 0 HG LEU A 6 0.352 -12.929 15.685 1.00 62.20 H new ATOM 0 HD11 LEU A 6 -0.905 -14.472 14.227 1.00 54.30 H new ATOM 0 HD12 LEU A 6 -0.104 -13.184 13.296 1.00 54.30 H new ATOM 0 HD13 LEU A 6 0.586 -14.824 13.322 1.00 54.30 H new ATOM 0 HD21 LEU A 6 0.088 -15.298 16.334 1.00 52.42 H new ATOM 0 HD22 LEU A 6 1.627 -15.684 15.530 1.00 52.42 H new ATOM 0 HD23 LEU A 6 1.610 -14.609 16.948 1.00 52.42 H new ATOM 116 N HIS A 7 5.476 -13.378 15.477 1.00 54.04 N ATOM 117 CA HIS A 7 6.850 -13.246 14.972 1.00 52.32 C ATOM 118 C HIS A 7 6.884 -13.258 13.434 1.00 24.22 C ATOM 119 O HIS A 7 7.764 -12.661 12.814 1.00 53.34 O ATOM 120 CB HIS A 7 7.737 -14.371 15.534 1.00 41.13 C ATOM 121 CG HIS A 7 9.157 -14.335 15.042 1.00 35.51 C ATOM 122 ND1 HIS A 7 9.927 -13.189 15.036 1.00 32.11 N ATOM 123 CD2 HIS A 7 9.949 -15.312 14.530 1.00 52.24 C ATOM 124 CE1 HIS A 7 11.119 -13.461 14.544 1.00 60.11 C ATOM 125 NE2 HIS A 7 11.160 -14.738 14.230 1.00 43.22 N ATOM 0 H HIS A 7 5.278 -14.274 15.923 1.00 54.04 H new ATOM 0 HA HIS A 7 7.240 -12.286 15.309 1.00 52.32 H new ATOM 0 HB2 HIS A 7 7.739 -14.309 16.622 1.00 41.13 H new ATOM 0 HB3 HIS A 7 7.297 -15.333 15.271 1.00 41.13 H new ATOM 0 HD2 HIS A 7 9.677 -16.347 14.386 1.00 52.24 H new ATOM 0 HE1 HIS A 7 11.926 -12.755 14.420 1.00 60.11 H new ATOM 0 HE2 HIS A 7 11.962 -15.224 13.828 1.00 43.22 H new ATOM 134 N LEU A 8 5.920 -13.947 12.829 1.00 12.25 N ATOM 135 CA LEU A 8 5.798 -14.006 11.367 1.00 74.02 C ATOM 136 C LEU A 8 4.324 -14.044 10.927 1.00 2.44 C ATOM 137 O LEU A 8 3.437 -14.357 11.726 1.00 21.14 O ATOM 138 CB LEU A 8 6.589 -15.208 10.805 1.00 24.43 C ATOM 139 CG LEU A 8 6.481 -16.531 11.590 1.00 63.01 C ATOM 140 CD1 LEU A 8 5.072 -17.108 11.524 1.00 22.24 C ATOM 141 CD2 LEU A 8 7.500 -17.542 11.074 1.00 61.33 C ATOM 0 H LEU A 8 5.206 -14.477 13.328 1.00 12.25 H new ATOM 0 HA LEU A 8 6.231 -13.095 10.954 1.00 74.02 H new ATOM 0 HB2 LEU A 8 6.254 -15.389 9.784 1.00 24.43 H new ATOM 0 HB3 LEU A 8 7.641 -14.929 10.751 1.00 24.43 H new ATOM 0 HG LEU A 8 6.700 -16.316 12.636 1.00 63.01 H new ATOM 0 HD11 LEU A 8 5.034 -18.040 12.088 1.00 22.24 H new ATOM 0 HD12 LEU A 8 4.367 -16.396 11.952 1.00 22.24 H new ATOM 0 HD13 LEU A 8 4.807 -17.302 10.485 1.00 22.24 H new ATOM 0 HD21 LEU A 8 7.410 -18.470 11.639 1.00 61.33 H new ATOM 0 HD22 LEU A 8 7.314 -17.740 10.019 1.00 61.33 H new ATOM 0 HD23 LEU A 8 8.506 -17.139 11.195 1.00 61.33 H new ATOM 153 N LEU A 9 4.072 -13.708 9.661 1.00 20.33 N ATOM 154 CA LEU A 9 2.704 -13.691 9.115 1.00 23.22 C ATOM 155 C LEU A 9 2.050 -15.088 9.156 1.00 33.11 C ATOM 156 O LEU A 9 2.696 -16.088 9.472 1.00 62.31 O ATOM 157 CB LEU A 9 2.705 -13.147 7.672 1.00 50.24 C ATOM 158 CG LEU A 9 3.168 -14.125 6.568 1.00 10.03 C ATOM 159 CD1 LEU A 9 3.116 -13.452 5.196 1.00 5.41 C ATOM 160 CD2 LEU A 9 4.570 -14.663 6.850 1.00 63.50 C ATOM 0 H LEU A 9 4.794 -13.443 8.991 1.00 20.33 H new ATOM 0 HA LEU A 9 2.111 -13.029 9.747 1.00 23.22 H new ATOM 0 HB2 LEU A 9 1.695 -12.814 7.432 1.00 50.24 H new ATOM 0 HB3 LEU A 9 3.347 -12.267 7.639 1.00 50.24 H new ATOM 0 HG LEU A 9 2.482 -14.972 6.566 1.00 10.03 H new ATOM 0 HD11 LEU A 9 3.446 -14.157 4.432 1.00 5.41 H new ATOM 0 HD12 LEU A 9 2.094 -13.138 4.983 1.00 5.41 H new ATOM 0 HD13 LEU A 9 3.771 -12.581 5.193 1.00 5.41 H new ATOM 0 HD21 LEU A 9 4.864 -15.347 6.054 1.00 63.50 H new ATOM 0 HD22 LEU A 9 5.276 -13.834 6.894 1.00 63.50 H new ATOM 0 HD23 LEU A 9 4.572 -15.192 7.803 1.00 63.50 H new ATOM 172 N CYS A 10 0.764 -15.148 8.832 1.00 3.51 N ATOM 173 CA CYS A 10 0.013 -16.414 8.869 1.00 23.12 C ATOM 174 C CYS A 10 -0.204 -16.981 7.460 1.00 53.32 C ATOM 175 O CYS A 10 -0.322 -16.233 6.488 1.00 1.34 O ATOM 176 CB CYS A 10 -1.347 -16.211 9.559 1.00 61.52 C ATOM 177 SG CYS A 10 -2.329 -17.723 9.738 1.00 50.54 S ATOM 0 H CYS A 10 0.213 -14.341 8.540 1.00 3.51 H new ATOM 0 HA CYS A 10 0.606 -17.130 9.438 1.00 23.12 H new ATOM 0 HB2 CYS A 10 -1.179 -15.782 10.547 1.00 61.52 H new ATOM 0 HB3 CYS A 10 -1.924 -15.483 8.990 1.00 61.52 H new ATOM 0 HG CYS A 10 -2.636 -18.183 8.561 1.00 50.54 H new ATOM 183 N SER A 11 -0.245 -18.308 7.355 1.00 15.33 N ATOM 184 CA SER A 11 -0.499 -18.980 6.071 1.00 21.00 C ATOM 185 C SER A 11 -1.944 -18.747 5.593 1.00 52.12 C ATOM 186 O SER A 11 -2.838 -18.483 6.398 1.00 13.45 O ATOM 187 CB SER A 11 -0.228 -20.486 6.187 1.00 5.10 C ATOM 188 OG SER A 11 1.143 -20.750 6.457 1.00 14.21 O ATOM 0 H SER A 11 -0.106 -18.944 8.141 1.00 15.33 H new ATOM 0 HA SER A 11 0.181 -18.549 5.335 1.00 21.00 H new ATOM 0 HB2 SER A 11 -0.844 -20.907 6.981 1.00 5.10 H new ATOM 0 HB3 SER A 11 -0.519 -20.982 5.261 1.00 5.10 H new ATOM 0 HG SER A 11 1.282 -21.718 6.527 1.00 14.21 H new ATOM 194 N PRO A 12 -2.202 -18.850 4.273 1.00 44.31 N ATOM 195 CA PRO A 12 -3.540 -18.593 3.702 1.00 44.03 C ATOM 196 C PRO A 12 -4.558 -19.730 3.947 1.00 14.50 C ATOM 197 O PRO A 12 -5.380 -20.026 3.080 1.00 12.30 O ATOM 198 CB PRO A 12 -3.241 -18.444 2.204 1.00 2.25 C ATOM 199 CG PRO A 12 -2.047 -19.307 1.972 1.00 51.41 C ATOM 200 CD PRO A 12 -1.215 -19.204 3.227 1.00 43.13 C ATOM 0 HA PRO A 12 -4.012 -17.725 4.162 1.00 44.03 H new ATOM 0 HB2 PRO A 12 -4.087 -18.766 1.597 1.00 2.25 H new ATOM 0 HB3 PRO A 12 -3.037 -17.406 1.942 1.00 2.25 H new ATOM 0 HG2 PRO A 12 -2.342 -20.339 1.782 1.00 51.41 H new ATOM 0 HG3 PRO A 12 -1.484 -18.970 1.101 1.00 51.41 H new ATOM 0 HD2 PRO A 12 -0.712 -20.144 3.453 1.00 43.13 H new ATOM 0 HD3 PRO A 12 -0.440 -18.443 3.133 1.00 43.13 H new ATOM 208 N ASP A 13 -4.530 -20.333 5.139 1.00 5.23 N ATOM 209 CA ASP A 13 -5.486 -21.389 5.500 1.00 23.33 C ATOM 210 C ASP A 13 -6.940 -20.875 5.463 1.00 13.00 C ATOM 211 O ASP A 13 -7.877 -21.647 5.248 1.00 74.02 O ATOM 212 CB ASP A 13 -5.156 -21.944 6.889 1.00 41.15 C ATOM 213 CG ASP A 13 -3.828 -22.682 6.913 1.00 61.12 C ATOM 214 OD1 ASP A 13 -2.785 -22.039 7.138 1.00 21.14 O ATOM 215 OD2 ASP A 13 -3.822 -23.912 6.698 1.00 0.25 O ATOM 0 H ASP A 13 -3.857 -20.109 5.872 1.00 5.23 H new ATOM 0 HA ASP A 13 -5.397 -22.187 4.763 1.00 23.33 H new ATOM 0 HB2 ASP A 13 -5.127 -21.125 7.608 1.00 41.15 H new ATOM 0 HB3 ASP A 13 -5.951 -22.619 7.206 1.00 41.15 H new ATOM 220 N THR A 14 -7.122 -19.572 5.681 1.00 35.32 N ATOM 221 CA THR A 14 -8.452 -18.950 5.566 1.00 73.02 C ATOM 222 C THR A 14 -8.942 -18.938 4.105 1.00 64.02 C ATOM 223 O THR A 14 -10.141 -18.836 3.842 1.00 63.34 O ATOM 224 CB THR A 14 -8.470 -17.503 6.116 1.00 21.43 C ATOM 225 OG1 THR A 14 -9.805 -16.975 6.070 1.00 0.10 O ATOM 226 CG2 THR A 14 -7.535 -16.593 5.321 1.00 25.12 C ATOM 0 H THR A 14 -6.375 -18.927 5.937 1.00 35.32 H new ATOM 0 HA THR A 14 -9.124 -19.560 6.169 1.00 73.02 H new ATOM 0 HB THR A 14 -8.122 -17.535 7.148 1.00 21.43 H new ATOM 0 HG1 THR A 14 -9.768 -16.003 5.947 1.00 0.10 H new ATOM 0 HG21 THR A 14 -7.571 -15.585 5.733 1.00 25.12 H new ATOM 0 HG22 THR A 14 -6.516 -16.974 5.384 1.00 25.12 H new ATOM 0 HG23 THR A 14 -7.850 -16.570 4.278 1.00 25.12 H new ATOM 234 N ARG A 15 -7.994 -19.033 3.169 1.00 11.44 N ATOM 235 CA ARG A 15 -8.289 -19.129 1.729 1.00 53.22 C ATOM 236 C ARG A 15 -8.982 -17.858 1.184 1.00 71.23 C ATOM 237 O ARG A 15 -9.616 -17.878 0.126 1.00 12.34 O ATOM 238 CB ARG A 15 -9.130 -20.393 1.460 1.00 75.14 C ATOM 239 CG ARG A 15 -9.071 -20.889 0.019 1.00 3.42 C ATOM 240 CD ARG A 15 -9.650 -22.296 -0.120 1.00 34.00 C ATOM 241 NE ARG A 15 -11.056 -22.365 0.284 1.00 42.43 N ATOM 242 CZ ARG A 15 -11.580 -23.345 0.975 1.00 45.44 C ATOM 243 NH1 ARG A 15 -10.846 -24.319 1.402 1.00 13.14 N ATOM 244 NH2 ARG A 15 -12.842 -23.345 1.246 1.00 51.31 N ATOM 0 H ARG A 15 -6.997 -19.046 3.384 1.00 11.44 H new ATOM 0 HA ARG A 15 -7.344 -19.209 1.192 1.00 53.22 H new ATOM 0 HB2 ARG A 15 -8.789 -21.190 2.121 1.00 75.14 H new ATOM 0 HB3 ARG A 15 -10.168 -20.187 1.719 1.00 75.14 H new ATOM 0 HG2 ARG A 15 -9.623 -20.204 -0.624 1.00 3.42 H new ATOM 0 HG3 ARG A 15 -8.037 -20.886 -0.325 1.00 3.42 H new ATOM 0 HD2 ARG A 15 -9.556 -22.624 -1.155 1.00 34.00 H new ATOM 0 HD3 ARG A 15 -9.066 -22.988 0.487 1.00 34.00 H new ATOM 0 HE ARG A 15 -11.668 -21.597 0.008 1.00 42.43 H new ATOM 0 HH11 ARG A 15 -9.846 -24.330 1.201 1.00 13.14 H new ATOM 0 HH12 ARG A 15 -11.267 -25.077 1.940 1.00 13.14 H new ATOM 0 HH21 ARG A 15 -13.433 -22.580 0.921 1.00 51.31 H new ATOM 0 HH22 ARG A 15 -13.248 -24.110 1.785 1.00 51.31 H new ATOM 258 N GLN A 16 -8.833 -16.745 1.906 1.00 30.11 N ATOM 259 CA GLN A 16 -9.351 -15.443 1.458 1.00 34.14 C ATOM 260 C GLN A 16 -8.405 -14.782 0.437 1.00 65.30 C ATOM 261 O GLN A 16 -7.203 -15.054 0.422 1.00 54.51 O ATOM 262 CB GLN A 16 -9.551 -14.504 2.664 1.00 62.40 C ATOM 263 CG GLN A 16 -10.743 -14.860 3.548 1.00 72.43 C ATOM 264 CD GLN A 16 -10.913 -13.896 4.711 1.00 24.50 C ATOM 265 OE1 GLN A 16 -10.401 -14.119 5.803 1.00 60.24 O ATOM 266 NE2 GLN A 16 -11.611 -12.801 4.481 1.00 5.24 N ATOM 0 H GLN A 16 -8.356 -16.716 2.807 1.00 30.11 H new ATOM 0 HA GLN A 16 -10.310 -15.619 0.971 1.00 34.14 H new ATOM 0 HB2 GLN A 16 -8.647 -14.516 3.272 1.00 62.40 H new ATOM 0 HB3 GLN A 16 -9.676 -13.485 2.299 1.00 62.40 H new ATOM 0 HG2 GLN A 16 -11.651 -14.861 2.945 1.00 72.43 H new ATOM 0 HG3 GLN A 16 -10.616 -15.871 3.934 1.00 72.43 H new ATOM 0 HE21 GLN A 16 -12.025 -12.644 3.562 1.00 5.24 H new ATOM 0 HE22 GLN A 16 -11.737 -12.111 5.222 1.00 5.24 H new ATOM 275 N PRO A 17 -8.933 -13.895 -0.435 1.00 63.13 N ATOM 276 CA PRO A 17 -8.113 -13.188 -1.439 1.00 15.51 C ATOM 277 C PRO A 17 -7.216 -12.094 -0.829 1.00 1.10 C ATOM 278 O PRO A 17 -6.410 -11.478 -1.529 1.00 51.01 O ATOM 279 CB PRO A 17 -9.165 -12.569 -2.369 1.00 45.22 C ATOM 280 CG PRO A 17 -10.364 -12.375 -1.502 1.00 32.45 C ATOM 281 CD PRO A 17 -10.362 -13.523 -0.526 1.00 31.23 C ATOM 0 HA PRO A 17 -7.415 -13.861 -1.937 1.00 15.51 H new ATOM 0 HB2 PRO A 17 -8.819 -11.623 -2.785 1.00 45.22 H new ATOM 0 HB3 PRO A 17 -9.386 -13.226 -3.211 1.00 45.22 H new ATOM 0 HG2 PRO A 17 -10.317 -11.419 -0.980 1.00 32.45 H new ATOM 0 HG3 PRO A 17 -11.278 -12.370 -2.096 1.00 32.45 H new ATOM 0 HD2 PRO A 17 -10.762 -13.227 0.444 1.00 31.23 H new ATOM 0 HD3 PRO A 17 -10.971 -14.354 -0.882 1.00 31.23 H new ATOM 289 N LEU A 18 -7.367 -11.856 0.472 1.00 41.54 N ATOM 290 CA LEU A 18 -6.553 -10.868 1.191 1.00 12.34 C ATOM 291 C LEU A 18 -5.748 -11.531 2.318 1.00 51.32 C ATOM 292 O LEU A 18 -6.299 -12.282 3.125 1.00 24.14 O ATOM 293 CB LEU A 18 -7.443 -9.760 1.776 1.00 1.04 C ATOM 294 CG LEU A 18 -8.206 -8.913 0.744 1.00 50.15 C ATOM 295 CD1 LEU A 18 -9.098 -7.886 1.436 1.00 72.24 C ATOM 296 CD2 LEU A 18 -7.235 -8.224 -0.210 1.00 75.22 C ATOM 0 H LEU A 18 -8.050 -12.336 1.057 1.00 41.54 H new ATOM 0 HA LEU A 18 -5.856 -10.429 0.477 1.00 12.34 H new ATOM 0 HB2 LEU A 18 -8.166 -10.217 2.452 1.00 1.04 H new ATOM 0 HB3 LEU A 18 -6.821 -9.097 2.377 1.00 1.04 H new ATOM 0 HG LEU A 18 -8.843 -9.580 0.164 1.00 50.15 H new ATOM 0 HD11 LEU A 18 -9.627 -7.299 0.685 1.00 72.24 H new ATOM 0 HD12 LEU A 18 -9.820 -8.400 2.070 1.00 72.24 H new ATOM 0 HD13 LEU A 18 -8.484 -7.224 2.047 1.00 72.24 H new ATOM 0 HD21 LEU A 18 -7.795 -7.630 -0.932 1.00 75.22 H new ATOM 0 HD22 LEU A 18 -6.568 -7.574 0.356 1.00 75.22 H new ATOM 0 HD23 LEU A 18 -6.647 -8.976 -0.737 1.00 75.22 H new ATOM 308 N SER A 19 -4.448 -11.249 2.366 1.00 55.24 N ATOM 309 CA SER A 19 -3.563 -11.794 3.411 1.00 22.43 C ATOM 310 C SER A 19 -2.587 -10.722 3.914 1.00 53.24 C ATOM 311 O SER A 19 -2.585 -9.599 3.416 1.00 64.41 O ATOM 312 CB SER A 19 -2.780 -13.005 2.886 1.00 33.51 C ATOM 313 OG SER A 19 -1.973 -13.578 3.908 1.00 20.44 O ATOM 0 H SER A 19 -3.976 -10.644 1.694 1.00 55.24 H new ATOM 0 HA SER A 19 -4.190 -12.115 4.243 1.00 22.43 H new ATOM 0 HB2 SER A 19 -3.475 -13.753 2.505 1.00 33.51 H new ATOM 0 HB3 SER A 19 -2.151 -12.700 2.050 1.00 33.51 H new ATOM 0 HG SER A 19 -1.486 -14.348 3.547 1.00 20.44 H new ATOM 319 N LEU A 20 -1.767 -11.066 4.904 1.00 34.35 N ATOM 320 CA LEU A 20 -0.809 -10.110 5.477 1.00 52.20 C ATOM 321 C LEU A 20 0.317 -9.810 4.467 1.00 11.24 C ATOM 322 O LEU A 20 0.968 -10.722 3.956 1.00 31.32 O ATOM 323 CB LEU A 20 -0.234 -10.672 6.794 1.00 71.22 C ATOM 324 CG LEU A 20 0.320 -9.638 7.804 1.00 64.23 C ATOM 325 CD1 LEU A 20 1.577 -8.943 7.282 1.00 1.25 C ATOM 326 CD2 LEU A 20 -0.751 -8.610 8.167 1.00 2.24 C ATOM 0 H LEU A 20 -1.742 -11.993 5.328 1.00 34.35 H new ATOM 0 HA LEU A 20 -1.324 -9.174 5.695 1.00 52.20 H new ATOM 0 HB2 LEU A 20 -1.016 -11.247 7.289 1.00 71.22 H new ATOM 0 HB3 LEU A 20 0.566 -11.369 6.546 1.00 71.22 H new ATOM 0 HG LEU A 20 0.601 -10.185 8.704 1.00 64.23 H new ATOM 0 HD11 LEU A 20 1.931 -8.226 8.023 1.00 1.25 H new ATOM 0 HD12 LEU A 20 2.353 -9.686 7.096 1.00 1.25 H new ATOM 0 HD13 LEU A 20 1.345 -8.421 6.354 1.00 1.25 H new ATOM 0 HD21 LEU A 20 -0.341 -7.893 8.878 1.00 2.24 H new ATOM 0 HD22 LEU A 20 -1.072 -8.086 7.267 1.00 2.24 H new ATOM 0 HD23 LEU A 20 -1.605 -9.117 8.615 1.00 2.24 H new ATOM 338 N LEU A 21 0.537 -8.525 4.185 1.00 53.43 N ATOM 339 CA LEU A 21 1.537 -8.098 3.197 1.00 73.33 C ATOM 340 C LEU A 21 2.970 -8.474 3.609 1.00 55.44 C ATOM 341 O LEU A 21 3.412 -8.177 4.720 1.00 61.44 O ATOM 342 CB LEU A 21 1.438 -6.583 2.961 1.00 73.13 C ATOM 343 CG LEU A 21 2.489 -5.985 1.997 1.00 21.43 C ATOM 344 CD1 LEU A 21 2.421 -6.645 0.619 1.00 64.14 C ATOM 345 CD2 LEU A 21 2.312 -4.472 1.877 1.00 12.02 C ATOM 0 H LEU A 21 0.035 -7.756 4.628 1.00 53.43 H new ATOM 0 HA LEU A 21 1.317 -8.629 2.271 1.00 73.33 H new ATOM 0 HB2 LEU A 21 0.445 -6.359 2.571 1.00 73.13 H new ATOM 0 HB3 LEU A 21 1.525 -6.077 3.923 1.00 73.13 H new ATOM 0 HG LEU A 21 3.475 -6.187 2.415 1.00 21.43 H new ATOM 0 HD11 LEU A 21 3.173 -6.202 -0.034 1.00 64.14 H new ATOM 0 HD12 LEU A 21 2.611 -7.714 0.718 1.00 64.14 H new ATOM 0 HD13 LEU A 21 1.431 -6.491 0.190 1.00 64.14 H new ATOM 0 HD21 LEU A 21 3.061 -4.071 1.194 1.00 12.02 H new ATOM 0 HD22 LEU A 21 1.316 -4.252 1.493 1.00 12.02 H new ATOM 0 HD23 LEU A 21 2.432 -4.013 2.858 1.00 12.02 H new ATOM 357 N GLU A 22 3.685 -9.129 2.692 1.00 3.45 N ATOM 358 CA GLU A 22 5.100 -9.465 2.876 1.00 74.40 C ATOM 359 C GLU A 22 5.921 -8.234 3.302 1.00 21.04 C ATOM 360 O GLU A 22 5.910 -7.206 2.622 1.00 24.33 O ATOM 361 CB GLU A 22 5.660 -10.052 1.567 1.00 12.44 C ATOM 362 CG GLU A 22 7.175 -10.249 1.546 1.00 12.21 C ATOM 363 CD GLU A 22 7.674 -11.198 2.623 1.00 23.33 C ATOM 364 OE1 GLU A 22 7.677 -12.424 2.387 1.00 72.33 O ATOM 365 OE2 GLU A 22 8.072 -10.721 3.705 1.00 60.34 O ATOM 0 H GLU A 22 3.300 -9.442 1.801 1.00 3.45 H new ATOM 0 HA GLU A 22 5.178 -10.204 3.673 1.00 74.40 H new ATOM 0 HB2 GLU A 22 5.181 -11.014 1.383 1.00 12.44 H new ATOM 0 HB3 GLU A 22 5.382 -9.395 0.743 1.00 12.44 H new ATOM 0 HG2 GLU A 22 7.471 -10.632 0.569 1.00 12.21 H new ATOM 0 HG3 GLU A 22 7.662 -9.282 1.670 1.00 12.21 H new ATOM 372 N SER A 23 6.651 -8.358 4.412 1.00 5.34 N ATOM 373 CA SER A 23 7.444 -7.245 4.960 1.00 21.54 C ATOM 374 C SER A 23 8.463 -6.723 3.939 1.00 31.43 C ATOM 375 O SER A 23 8.713 -5.522 3.859 1.00 35.52 O ATOM 376 CB SER A 23 8.163 -7.669 6.251 1.00 71.00 C ATOM 377 OG SER A 23 7.232 -7.992 7.280 1.00 53.15 O ATOM 0 H SER A 23 6.712 -9.220 4.954 1.00 5.34 H new ATOM 0 HA SER A 23 6.750 -6.437 5.191 1.00 21.54 H new ATOM 0 HB2 SER A 23 8.799 -8.531 6.049 1.00 71.00 H new ATOM 0 HB3 SER A 23 8.815 -6.863 6.588 1.00 71.00 H new ATOM 0 HG SER A 23 7.717 -8.260 8.088 1.00 53.15 H new ATOM 383 N LYS A 24 9.037 -7.638 3.154 1.00 1.52 N ATOM 384 CA LYS A 24 9.978 -7.271 2.087 1.00 24.43 C ATOM 385 C LYS A 24 9.357 -6.249 1.114 1.00 61.41 C ATOM 386 O LYS A 24 10.010 -5.300 0.690 1.00 71.04 O ATOM 387 CB LYS A 24 10.413 -8.530 1.322 1.00 14.21 C ATOM 388 CG LYS A 24 11.478 -8.282 0.255 1.00 64.53 C ATOM 389 CD LYS A 24 12.815 -7.822 0.848 1.00 5.32 C ATOM 390 CE LYS A 24 13.513 -8.920 1.658 1.00 32.55 C ATOM 391 NZ LYS A 24 12.898 -9.133 2.997 1.00 62.43 N ATOM 0 H LYS A 24 8.868 -8.641 3.236 1.00 1.52 H new ATOM 0 HA LYS A 24 10.849 -6.805 2.549 1.00 24.43 H new ATOM 0 HB2 LYS A 24 10.794 -9.261 2.035 1.00 14.21 H new ATOM 0 HB3 LYS A 24 9.537 -8.973 0.848 1.00 14.21 H new ATOM 0 HG2 LYS A 24 11.634 -9.197 -0.316 1.00 64.53 H new ATOM 0 HG3 LYS A 24 11.117 -7.528 -0.444 1.00 64.53 H new ATOM 0 HD2 LYS A 24 13.473 -7.498 0.042 1.00 5.32 H new ATOM 0 HD3 LYS A 24 12.645 -6.957 1.488 1.00 5.32 H new ATOM 0 HE2 LYS A 24 13.482 -9.854 1.097 1.00 32.55 H new ATOM 0 HE3 LYS A 24 14.564 -8.659 1.784 1.00 32.55 H new ATOM 0 HZ1 LYS A 24 13.647 -9.224 3.713 1.00 62.43 H new ATOM 0 HZ2 LYS A 24 12.291 -8.322 3.233 1.00 62.43 H new ATOM 0 HZ3 LYS A 24 12.326 -10.001 2.982 1.00 62.43 H new ATOM 405 N GLY A 25 8.096 -6.473 0.744 1.00 71.55 N ATOM 406 CA GLY A 25 7.365 -5.512 -0.075 1.00 55.23 C ATOM 407 C GLY A 25 6.889 -4.301 0.726 1.00 43.44 C ATOM 408 O GLY A 25 6.910 -3.170 0.241 1.00 13.22 O ATOM 0 H GLY A 25 7.564 -7.306 0.997 1.00 71.55 H new ATOM 0 HA2 GLY A 25 8.004 -5.175 -0.891 1.00 55.23 H new ATOM 0 HA3 GLY A 25 6.505 -6.005 -0.527 1.00 55.23 H new ATOM 412 N LEU A 26 6.471 -4.551 1.967 1.00 10.52 N ATOM 413 CA LEU A 26 5.907 -3.515 2.843 1.00 21.23 C ATOM 414 C LEU A 26 6.852 -2.312 3.007 1.00 71.30 C ATOM 415 O LEU A 26 6.411 -1.157 3.006 1.00 53.12 O ATOM 416 CB LEU A 26 5.583 -4.128 4.214 1.00 34.24 C ATOM 417 CG LEU A 26 4.952 -3.178 5.242 1.00 73.11 C ATOM 418 CD1 LEU A 26 3.647 -2.586 4.715 1.00 2.44 C ATOM 419 CD2 LEU A 26 4.723 -3.903 6.568 1.00 60.12 C ATOM 0 H LEU A 26 6.512 -5.475 2.396 1.00 10.52 H new ATOM 0 HA LEU A 26 4.995 -3.142 2.377 1.00 21.23 H new ATOM 0 HB2 LEU A 26 4.907 -4.970 4.063 1.00 34.24 H new ATOM 0 HB3 LEU A 26 6.503 -4.530 4.637 1.00 34.24 H new ATOM 0 HG LEU A 26 5.645 -2.354 5.414 1.00 73.11 H new ATOM 0 HD11 LEU A 26 3.222 -1.917 5.464 1.00 2.44 H new ATOM 0 HD12 LEU A 26 3.844 -2.028 3.800 1.00 2.44 H new ATOM 0 HD13 LEU A 26 2.942 -3.390 4.505 1.00 2.44 H new ATOM 0 HD21 LEU A 26 4.275 -3.216 7.286 1.00 60.12 H new ATOM 0 HD22 LEU A 26 4.054 -4.749 6.409 1.00 60.12 H new ATOM 0 HD23 LEU A 26 5.676 -4.262 6.956 1.00 60.12 H new ATOM 431 N GLU A 27 8.149 -2.579 3.140 1.00 41.34 N ATOM 432 CA GLU A 27 9.146 -1.509 3.260 1.00 0.23 C ATOM 433 C GLU A 27 9.174 -0.629 2.000 1.00 54.44 C ATOM 434 O GLU A 27 9.400 0.580 2.082 1.00 43.33 O ATOM 435 CB GLU A 27 10.537 -2.097 3.532 1.00 25.41 C ATOM 436 CG GLU A 27 11.020 -3.067 2.463 1.00 50.21 C ATOM 437 CD GLU A 27 12.380 -3.656 2.791 1.00 41.43 C ATOM 438 OE1 GLU A 27 12.437 -4.673 3.516 1.00 32.44 O ATOM 439 OE2 GLU A 27 13.401 -3.094 2.344 1.00 3.52 O ATOM 0 H GLU A 27 8.537 -3.522 3.168 1.00 41.34 H new ATOM 0 HA GLU A 27 8.860 -0.880 4.103 1.00 0.23 H new ATOM 0 HB2 GLU A 27 11.254 -1.281 3.618 1.00 25.41 H new ATOM 0 HB3 GLU A 27 10.521 -2.610 4.493 1.00 25.41 H new ATOM 0 HG2 GLU A 27 10.295 -3.873 2.353 1.00 50.21 H new ATOM 0 HG3 GLU A 27 11.072 -2.551 1.504 1.00 50.21 H new ATOM 446 N ALA A 28 8.925 -1.237 0.838 1.00 2.42 N ATOM 447 CA ALA A 28 8.847 -0.496 -0.426 1.00 72.14 C ATOM 448 C ALA A 28 7.667 0.492 -0.410 1.00 61.13 C ATOM 449 O ALA A 28 7.765 1.604 -0.934 1.00 13.21 O ATOM 450 CB ALA A 28 8.729 -1.464 -1.601 1.00 4.31 C ATOM 0 H ALA A 28 8.774 -2.241 0.745 1.00 2.42 H new ATOM 0 HA ALA A 28 9.764 0.081 -0.545 1.00 72.14 H new ATOM 0 HB1 ALA A 28 8.672 -0.901 -2.532 1.00 4.31 H new ATOM 0 HB2 ALA A 28 9.602 -2.116 -1.624 1.00 4.31 H new ATOM 0 HB3 ALA A 28 7.829 -2.067 -1.486 1.00 4.31 H new ATOM 456 N LEU A 29 6.555 0.077 0.204 1.00 43.13 N ATOM 457 CA LEU A 29 5.403 0.968 0.401 1.00 65.43 C ATOM 458 C LEU A 29 5.772 2.138 1.326 1.00 24.45 C ATOM 459 O LEU A 29 5.548 3.295 0.987 1.00 62.21 O ATOM 460 CB LEU A 29 4.193 0.206 0.979 1.00 54.13 C ATOM 461 CG LEU A 29 3.410 -0.682 -0.012 1.00 54.22 C ATOM 462 CD1 LEU A 29 2.910 0.136 -1.202 1.00 12.23 C ATOM 463 CD2 LEU A 29 4.254 -1.864 -0.481 1.00 71.43 C ATOM 0 H LEU A 29 6.426 -0.865 0.572 1.00 43.13 H new ATOM 0 HA LEU A 29 5.125 1.361 -0.577 1.00 65.43 H new ATOM 0 HB2 LEU A 29 4.543 -0.422 1.799 1.00 54.13 H new ATOM 0 HB3 LEU A 29 3.503 0.933 1.407 1.00 54.13 H new ATOM 0 HG LEU A 29 2.542 -1.080 0.514 1.00 54.22 H new ATOM 0 HD11 LEU A 29 2.362 -0.513 -1.885 1.00 12.23 H new ATOM 0 HD12 LEU A 29 2.251 0.929 -0.847 1.00 12.23 H new ATOM 0 HD13 LEU A 29 3.760 0.576 -1.724 1.00 12.23 H new ATOM 0 HD21 LEU A 29 3.675 -2.471 -1.178 1.00 71.43 H new ATOM 0 HD22 LEU A 29 5.151 -1.496 -0.979 1.00 71.43 H new ATOM 0 HD23 LEU A 29 4.539 -2.471 0.378 1.00 71.43 H new ATOM 475 N ASN A 30 6.355 1.826 2.487 1.00 43.23 N ATOM 476 CA ASN A 30 6.755 2.857 3.460 1.00 14.11 C ATOM 477 C ASN A 30 7.705 3.895 2.839 1.00 3.41 C ATOM 478 O ASN A 30 7.529 5.101 3.028 1.00 11.13 O ATOM 479 CB ASN A 30 7.409 2.210 4.688 1.00 42.11 C ATOM 480 CG ASN A 30 6.388 1.600 5.630 1.00 64.14 C ATOM 481 OD1 ASN A 30 5.901 2.264 6.540 1.00 31.10 O ATOM 482 ND2 ASN A 30 6.048 0.344 5.427 1.00 73.33 N ATOM 0 H ASN A 30 6.562 0.871 2.779 1.00 43.23 H new ATOM 0 HA ASN A 30 5.850 3.380 3.769 1.00 14.11 H new ATOM 0 HB2 ASN A 30 8.106 1.438 4.361 1.00 42.11 H new ATOM 0 HB3 ASN A 30 7.992 2.959 5.224 1.00 42.11 H new ATOM 0 HD21 ASN A 30 5.362 -0.103 6.035 1.00 73.33 H new ATOM 0 HD22 ASN A 30 6.471 -0.182 4.662 1.00 73.33 H new ATOM 489 N LYS A 31 8.700 3.420 2.095 1.00 51.43 N ATOM 490 CA LYS A 31 9.621 4.306 1.372 1.00 51.04 C ATOM 491 C LYS A 31 8.860 5.250 0.429 1.00 51.31 C ATOM 492 O LYS A 31 9.079 6.461 0.429 1.00 30.13 O ATOM 493 CB LYS A 31 10.627 3.473 0.566 1.00 61.34 C ATOM 494 CG LYS A 31 11.644 2.727 1.422 1.00 42.45 C ATOM 495 CD LYS A 31 12.535 1.822 0.577 1.00 33.15 C ATOM 496 CE LYS A 31 13.699 1.264 1.383 1.00 73.10 C ATOM 497 NZ LYS A 31 14.601 2.343 1.872 1.00 54.31 N ATOM 0 H LYS A 31 8.893 2.426 1.974 1.00 51.43 H new ATOM 0 HA LYS A 31 10.152 4.910 2.107 1.00 51.04 H new ATOM 0 HB2 LYS A 31 10.081 2.752 -0.042 1.00 61.34 H new ATOM 0 HB3 LYS A 31 11.159 4.131 -0.121 1.00 61.34 H new ATOM 0 HG2 LYS A 31 12.262 3.445 1.962 1.00 42.45 H new ATOM 0 HG3 LYS A 31 11.122 2.129 2.169 1.00 42.45 H new ATOM 0 HD2 LYS A 31 11.942 0.999 0.177 1.00 33.15 H new ATOM 0 HD3 LYS A 31 12.919 2.383 -0.275 1.00 33.15 H new ATOM 0 HE2 LYS A 31 13.315 0.699 2.232 1.00 73.10 H new ATOM 0 HE3 LYS A 31 14.267 0.567 0.767 1.00 73.10 H new ATOM 0 HZ1 LYS A 31 15.524 1.936 2.126 1.00 54.31 H new ATOM 0 HZ2 LYS A 31 14.730 3.053 1.123 1.00 54.31 H new ATOM 0 HZ3 LYS A 31 14.180 2.795 2.709 1.00 54.31 H new ATOM 511 N ALA A 32 7.959 4.683 -0.366 1.00 31.54 N ATOM 512 CA ALA A 32 7.169 5.459 -1.322 1.00 74.54 C ATOM 513 C ALA A 32 6.194 6.428 -0.623 1.00 23.54 C ATOM 514 O ALA A 32 5.934 7.528 -1.120 1.00 1.34 O ATOM 515 CB ALA A 32 6.412 4.514 -2.248 1.00 1.54 C ATOM 0 H ALA A 32 7.755 3.684 -0.369 1.00 31.54 H new ATOM 0 HA ALA A 32 7.858 6.070 -1.906 1.00 74.54 H new ATOM 0 HB1 ALA A 32 5.824 5.095 -2.959 1.00 1.54 H new ATOM 0 HB2 ALA A 32 7.122 3.889 -2.789 1.00 1.54 H new ATOM 0 HB3 ALA A 32 5.748 3.882 -1.659 1.00 1.54 H new ATOM 521 N ILE A 33 5.655 6.014 0.523 1.00 75.03 N ATOM 522 CA ILE A 33 4.737 6.851 1.306 1.00 23.34 C ATOM 523 C ILE A 33 5.453 8.094 1.859 1.00 73.53 C ATOM 524 O ILE A 33 4.985 9.225 1.684 1.00 70.23 O ATOM 525 CB ILE A 33 4.102 6.057 2.482 1.00 3.35 C ATOM 526 CG1 ILE A 33 3.174 4.951 1.946 1.00 25.00 C ATOM 527 CG2 ILE A 33 3.339 6.991 3.418 1.00 72.10 C ATOM 528 CD1 ILE A 33 2.547 4.095 3.029 1.00 14.41 C ATOM 0 H ILE A 33 5.838 5.099 0.935 1.00 75.03 H new ATOM 0 HA ILE A 33 3.944 7.167 0.628 1.00 23.34 H new ATOM 0 HB ILE A 33 4.905 5.589 3.051 1.00 3.35 H new ATOM 0 HG12 ILE A 33 2.381 5.410 1.356 1.00 25.00 H new ATOM 0 HG13 ILE A 33 3.742 4.309 1.273 1.00 25.00 H new ATOM 0 HG21 ILE A 33 2.903 6.413 4.233 1.00 72.10 H new ATOM 0 HG22 ILE A 33 4.023 7.735 3.826 1.00 72.10 H new ATOM 0 HG23 ILE A 33 2.545 7.492 2.864 1.00 72.10 H new ATOM 0 HD11 ILE A 33 1.908 3.340 2.571 1.00 14.41 H new ATOM 0 HD12 ILE A 33 3.332 3.605 3.606 1.00 14.41 H new ATOM 0 HD13 ILE A 33 1.950 4.724 3.690 1.00 14.41 H new ATOM 540 N VAL A 34 6.592 7.881 2.511 1.00 24.35 N ATOM 541 CA VAL A 34 7.394 8.984 3.049 1.00 11.31 C ATOM 542 C VAL A 34 7.914 9.880 1.913 1.00 3.01 C ATOM 543 O VAL A 34 7.908 11.109 2.020 1.00 51.23 O ATOM 544 CB VAL A 34 8.587 8.462 3.891 1.00 22.21 C ATOM 545 CG1 VAL A 34 9.416 9.622 4.446 1.00 33.22 C ATOM 546 CG2 VAL A 34 8.095 7.560 5.024 1.00 33.23 C ATOM 0 H VAL A 34 6.984 6.955 2.682 1.00 24.35 H new ATOM 0 HA VAL A 34 6.745 9.570 3.700 1.00 11.31 H new ATOM 0 HB VAL A 34 9.228 7.872 3.236 1.00 22.21 H new ATOM 0 HG11 VAL A 34 10.246 9.228 5.032 1.00 33.22 H new ATOM 0 HG12 VAL A 34 9.805 10.218 3.621 1.00 33.22 H new ATOM 0 HG13 VAL A 34 8.788 10.247 5.081 1.00 33.22 H new ATOM 0 HG21 VAL A 34 8.948 7.205 5.602 1.00 33.23 H new ATOM 0 HG22 VAL A 34 7.426 8.124 5.674 1.00 33.23 H new ATOM 0 HG23 VAL A 34 7.560 6.708 4.605 1.00 33.23 H new ATOM 556 N SER A 35 8.343 9.252 0.819 1.00 65.31 N ATOM 557 CA SER A 35 8.783 9.981 -0.383 1.00 73.04 C ATOM 558 C SER A 35 7.610 10.693 -1.078 1.00 24.54 C ATOM 559 O SER A 35 7.810 11.559 -1.932 1.00 53.40 O ATOM 560 CB SER A 35 9.461 9.015 -1.366 1.00 43.54 C ATOM 561 OG SER A 35 9.976 9.698 -2.500 1.00 11.51 O ATOM 0 H SER A 35 8.397 8.237 0.735 1.00 65.31 H new ATOM 0 HA SER A 35 9.496 10.742 -0.066 1.00 73.04 H new ATOM 0 HB2 SER A 35 10.270 8.488 -0.860 1.00 43.54 H new ATOM 0 HB3 SER A 35 8.743 8.261 -1.690 1.00 43.54 H new ATOM 0 HG SER A 35 9.432 10.493 -2.678 1.00 11.51 H new ATOM 567 N GLY A 36 6.385 10.317 -0.713 1.00 22.24 N ATOM 568 CA GLY A 36 5.201 10.973 -1.256 1.00 34.21 C ATOM 569 C GLY A 36 4.950 10.673 -2.731 1.00 45.14 C ATOM 570 O GLY A 36 4.557 11.557 -3.494 1.00 54.25 O ATOM 0 H GLY A 36 6.189 9.568 -0.049 1.00 22.24 H new ATOM 0 HA2 GLY A 36 4.329 10.664 -0.679 1.00 34.21 H new ATOM 0 HA3 GLY A 36 5.303 12.050 -1.127 1.00 34.21 H new ATOM 574 N THR A 37 5.172 9.422 -3.138 1.00 44.44 N ATOM 575 CA THR A 37 4.933 9.008 -4.533 1.00 62.45 C ATOM 576 C THR A 37 3.853 7.913 -4.627 1.00 70.13 C ATOM 577 O THR A 37 3.599 7.370 -5.703 1.00 5.53 O ATOM 578 CB THR A 37 6.240 8.511 -5.212 1.00 62.14 C ATOM 579 OG1 THR A 37 6.024 8.259 -6.612 1.00 73.41 O ATOM 580 CG2 THR A 37 6.764 7.244 -4.545 1.00 64.33 C ATOM 0 H THR A 37 5.515 8.678 -2.530 1.00 44.44 H new ATOM 0 HA THR A 37 4.577 9.892 -5.062 1.00 62.45 H new ATOM 0 HB THR A 37 6.984 9.300 -5.099 1.00 62.14 H new ATOM 0 HG1 THR A 37 5.173 7.789 -6.732 1.00 73.41 H new ATOM 0 HG21 THR A 37 7.679 6.922 -5.043 1.00 64.33 H new ATOM 0 HG22 THR A 37 6.975 7.446 -3.495 1.00 64.33 H new ATOM 0 HG23 THR A 37 6.014 6.457 -4.620 1.00 64.33 H new ATOM 588 N VAL A 38 3.215 7.591 -3.498 1.00 2.55 N ATOM 589 CA VAL A 38 2.110 6.617 -3.483 1.00 61.20 C ATOM 590 C VAL A 38 0.784 7.274 -3.881 1.00 70.33 C ATOM 591 O VAL A 38 0.249 8.107 -3.147 1.00 12.31 O ATOM 592 CB VAL A 38 1.935 5.956 -2.092 1.00 35.53 C ATOM 593 CG1 VAL A 38 0.721 5.028 -2.078 1.00 1.03 C ATOM 594 CG2 VAL A 38 3.189 5.194 -1.694 1.00 23.05 C ATOM 0 H VAL A 38 3.440 7.986 -2.585 1.00 2.55 H new ATOM 0 HA VAL A 38 2.374 5.849 -4.210 1.00 61.20 H new ATOM 0 HB VAL A 38 1.768 6.749 -1.363 1.00 35.53 H new ATOM 0 HG11 VAL A 38 0.620 4.576 -1.091 1.00 1.03 H new ATOM 0 HG12 VAL A 38 -0.177 5.601 -2.309 1.00 1.03 H new ATOM 0 HG13 VAL A 38 0.854 4.244 -2.824 1.00 1.03 H new ATOM 0 HG21 VAL A 38 3.043 4.739 -0.715 1.00 23.05 H new ATOM 0 HG22 VAL A 38 3.390 4.415 -2.430 1.00 23.05 H new ATOM 0 HG23 VAL A 38 4.034 5.881 -1.652 1.00 23.05 H new ATOM 604 N GLN A 39 0.259 6.896 -5.037 1.00 44.41 N ATOM 605 CA GLN A 39 -1.024 7.418 -5.504 1.00 61.12 C ATOM 606 C GLN A 39 -2.197 6.550 -5.020 1.00 72.44 C ATOM 607 O GLN A 39 -2.364 5.405 -5.440 1.00 2.40 O ATOM 608 CB GLN A 39 -1.030 7.526 -7.037 1.00 43.13 C ATOM 609 CG GLN A 39 0.021 8.493 -7.584 1.00 34.32 C ATOM 610 CD GLN A 39 -0.044 8.649 -9.095 1.00 61.34 C ATOM 611 OE1 GLN A 39 0.611 7.927 -9.838 1.00 13.30 O ATOM 612 NE2 GLN A 39 -0.837 9.594 -9.558 1.00 73.52 N ATOM 0 H GLN A 39 0.699 6.230 -5.672 1.00 44.41 H new ATOM 0 HA GLN A 39 -1.154 8.413 -5.079 1.00 61.12 H new ATOM 0 HB2 GLN A 39 -0.860 6.538 -7.464 1.00 43.13 H new ATOM 0 HB3 GLN A 39 -2.017 7.850 -7.367 1.00 43.13 H new ATOM 0 HG2 GLN A 39 -0.114 9.469 -7.117 1.00 34.32 H new ATOM 0 HG3 GLN A 39 1.013 8.139 -7.303 1.00 34.32 H new ATOM 0 HE21 GLN A 39 -1.368 10.177 -8.911 1.00 73.52 H new ATOM 0 HE22 GLN A 39 -0.920 9.743 -10.564 1.00 73.52 H new ATOM 621 N ARG A 40 -2.991 7.108 -4.111 1.00 53.23 N ATOM 622 CA ARG A 40 -4.208 6.461 -3.609 1.00 11.24 C ATOM 623 C ARG A 40 -5.193 6.161 -4.762 1.00 42.55 C ATOM 624 O ARG A 40 -5.199 6.858 -5.771 1.00 53.12 O ATOM 625 CB ARG A 40 -4.847 7.378 -2.551 1.00 64.33 C ATOM 626 CG ARG A 40 -6.289 7.050 -2.188 1.00 4.42 C ATOM 627 CD ARG A 40 -6.832 8.001 -1.119 1.00 43.23 C ATOM 628 NE ARG A 40 -6.336 7.683 0.222 1.00 61.10 N ATOM 629 CZ ARG A 40 -5.558 8.456 0.941 1.00 22.20 C ATOM 630 NH1 ARG A 40 -5.079 9.558 0.457 1.00 4.43 N ATOM 631 NH2 ARG A 40 -5.266 8.118 2.154 1.00 51.32 N ATOM 0 H ARG A 40 -2.812 8.023 -3.698 1.00 53.23 H new ATOM 0 HA ARG A 40 -3.955 5.503 -3.154 1.00 11.24 H new ATOM 0 HB2 ARG A 40 -4.243 7.335 -1.645 1.00 64.33 H new ATOM 0 HB3 ARG A 40 -4.806 8.405 -2.913 1.00 64.33 H new ATOM 0 HG2 ARG A 40 -6.912 7.111 -3.080 1.00 4.42 H new ATOM 0 HG3 ARG A 40 -6.349 6.023 -1.827 1.00 4.42 H new ATOM 0 HD2 ARG A 40 -6.553 9.024 -1.372 1.00 43.23 H new ATOM 0 HD3 ARG A 40 -7.921 7.958 -1.119 1.00 43.23 H new ATOM 0 HE ARG A 40 -6.618 6.791 0.628 1.00 61.10 H new ATOM 0 HH11 ARG A 40 -5.305 9.837 -0.498 1.00 4.43 H new ATOM 0 HH12 ARG A 40 -4.475 10.147 1.031 1.00 4.43 H new ATOM 0 HH21 ARG A 40 -5.640 7.254 2.547 1.00 51.32 H new ATOM 0 HH22 ARG A 40 -4.661 8.715 2.718 1.00 51.32 H new ATOM 645 N ALA A 41 -6.033 5.130 -4.589 1.00 34.24 N ATOM 646 CA ALA A 41 -6.970 4.676 -5.641 1.00 12.11 C ATOM 647 C ALA A 41 -7.772 5.827 -6.291 1.00 24.24 C ATOM 648 O ALA A 41 -8.241 5.706 -7.425 1.00 41.43 O ATOM 649 CB ALA A 41 -7.922 3.635 -5.062 1.00 11.24 C ATOM 0 H ALA A 41 -6.086 4.588 -3.726 1.00 34.24 H new ATOM 0 HA ALA A 41 -6.365 4.239 -6.436 1.00 12.11 H new ATOM 0 HB1 ALA A 41 -8.612 3.301 -5.837 1.00 11.24 H new ATOM 0 HB2 ALA A 41 -7.350 2.783 -4.694 1.00 11.24 H new ATOM 0 HB3 ALA A 41 -8.486 4.075 -4.240 1.00 11.24 H new ATOM 655 N ASP A 42 -7.939 6.932 -5.565 1.00 35.42 N ATOM 656 CA ASP A 42 -8.617 8.124 -6.094 1.00 61.01 C ATOM 657 C ASP A 42 -7.668 8.986 -6.953 1.00 63.32 C ATOM 658 O ASP A 42 -8.068 9.541 -7.980 1.00 13.31 O ATOM 659 CB ASP A 42 -9.177 8.958 -4.934 1.00 61.03 C ATOM 660 CG ASP A 42 -9.778 10.272 -5.405 1.00 43.14 C ATOM 661 OD1 ASP A 42 -10.942 10.272 -5.860 1.00 34.31 O ATOM 662 OD2 ASP A 42 -9.081 11.305 -5.339 1.00 33.41 O ATOM 0 H ASP A 42 -7.614 7.030 -4.603 1.00 35.42 H new ATOM 0 HA ASP A 42 -9.433 7.790 -6.735 1.00 61.01 H new ATOM 0 HB2 ASP A 42 -9.938 8.381 -4.409 1.00 61.03 H new ATOM 0 HB3 ASP A 42 -8.381 9.161 -4.218 1.00 61.03 H new ATOM 667 N GLY A 43 -6.411 9.085 -6.528 1.00 13.11 N ATOM 668 CA GLY A 43 -5.437 9.942 -7.206 1.00 31.32 C ATOM 669 C GLY A 43 -4.593 10.759 -6.231 1.00 40.01 C ATOM 670 O GLY A 43 -3.437 11.085 -6.513 1.00 13.40 O ATOM 0 H GLY A 43 -6.042 8.585 -5.720 1.00 13.11 H new ATOM 0 HA2 GLY A 43 -4.781 9.325 -7.819 1.00 31.32 H new ATOM 0 HA3 GLY A 43 -5.962 10.618 -7.881 1.00 31.32 H new ATOM 674 N SER A 44 -5.179 11.098 -5.080 1.00 30.13 N ATOM 675 CA SER A 44 -4.466 11.828 -4.017 1.00 34.11 C ATOM 676 C SER A 44 -3.293 11.001 -3.458 1.00 21.23 C ATOM 677 O SER A 44 -3.325 9.774 -3.486 1.00 35.23 O ATOM 678 CB SER A 44 -5.431 12.191 -2.881 1.00 0.12 C ATOM 679 OG SER A 44 -4.763 12.871 -1.831 1.00 12.21 O ATOM 0 H SER A 44 -6.150 10.879 -4.855 1.00 30.13 H new ATOM 0 HA SER A 44 -4.063 12.741 -4.455 1.00 34.11 H new ATOM 0 HB2 SER A 44 -6.233 12.818 -3.270 1.00 0.12 H new ATOM 0 HB3 SER A 44 -5.895 11.284 -2.492 1.00 0.12 H new ATOM 0 HG SER A 44 -5.404 13.090 -1.123 1.00 12.21 H new ATOM 685 N ILE A 45 -2.267 11.675 -2.942 1.00 53.54 N ATOM 686 CA ILE A 45 -1.055 10.992 -2.465 1.00 22.20 C ATOM 687 C ILE A 45 -1.192 10.494 -1.010 1.00 24.52 C ATOM 688 O ILE A 45 -1.721 11.194 -0.146 1.00 44.24 O ATOM 689 CB ILE A 45 0.184 11.920 -2.568 1.00 63.13 C ATOM 690 CG1 ILE A 45 0.374 12.410 -4.015 1.00 22.31 C ATOM 691 CG2 ILE A 45 1.446 11.213 -2.073 1.00 40.42 C ATOM 692 CD1 ILE A 45 0.613 11.297 -5.020 1.00 24.33 C ATOM 0 H ILE A 45 -2.246 12.690 -2.842 1.00 53.54 H new ATOM 0 HA ILE A 45 -0.921 10.125 -3.112 1.00 22.20 H new ATOM 0 HB ILE A 45 0.009 12.785 -1.928 1.00 63.13 H new ATOM 0 HG12 ILE A 45 -0.510 12.973 -4.316 1.00 22.31 H new ATOM 0 HG13 ILE A 45 1.217 13.100 -4.046 1.00 22.31 H new ATOM 0 HG21 ILE A 45 2.298 11.888 -2.157 1.00 40.42 H new ATOM 0 HG22 ILE A 45 1.315 10.922 -1.031 1.00 40.42 H new ATOM 0 HG23 ILE A 45 1.626 10.324 -2.678 1.00 40.42 H new ATOM 0 HD11 ILE A 45 0.737 11.725 -6.015 1.00 24.33 H new ATOM 0 HD12 ILE A 45 1.514 10.747 -4.747 1.00 24.33 H new ATOM 0 HD13 ILE A 45 -0.240 10.618 -5.021 1.00 24.33 H new ATOM 704 N GLN A 46 -0.702 9.280 -0.753 1.00 24.33 N ATOM 705 CA GLN A 46 -0.705 8.694 0.595 1.00 74.41 C ATOM 706 C GLN A 46 0.562 9.096 1.376 1.00 41.22 C ATOM 707 O GLN A 46 1.682 8.801 0.955 1.00 71.42 O ATOM 708 CB GLN A 46 -0.801 7.163 0.490 1.00 51.41 C ATOM 709 CG GLN A 46 -0.713 6.425 1.828 1.00 64.22 C ATOM 710 CD GLN A 46 -1.855 6.760 2.772 1.00 51.50 C ATOM 711 OE1 GLN A 46 -1.762 7.682 3.576 1.00 65.13 O ATOM 712 NE2 GLN A 46 -2.939 6.011 2.685 1.00 0.03 N ATOM 0 H GLN A 46 -0.294 8.676 -1.466 1.00 24.33 H new ATOM 0 HA GLN A 46 -1.569 9.076 1.138 1.00 74.41 H new ATOM 0 HB2 GLN A 46 -1.744 6.904 0.008 1.00 51.41 H new ATOM 0 HB3 GLN A 46 -0.002 6.806 -0.160 1.00 51.41 H new ATOM 0 HG2 GLN A 46 -0.706 5.351 1.643 1.00 64.22 H new ATOM 0 HG3 GLN A 46 0.233 6.672 2.310 1.00 64.22 H new ATOM 0 HE21 GLN A 46 -2.981 5.252 2.004 1.00 0.03 H new ATOM 0 HE22 GLN A 46 -3.734 6.191 3.298 1.00 0.03 H new ATOM 721 N ASN A 47 0.381 9.764 2.518 1.00 42.12 N ATOM 722 CA ASN A 47 1.519 10.253 3.316 1.00 60.23 C ATOM 723 C ASN A 47 1.492 9.736 4.769 1.00 65.40 C ATOM 724 O ASN A 47 2.204 10.253 5.634 1.00 61.15 O ATOM 725 CB ASN A 47 1.551 11.788 3.300 1.00 55.32 C ATOM 726 CG ASN A 47 1.786 12.364 1.909 1.00 54.44 C ATOM 727 OD1 ASN A 47 2.547 11.670 1.081 1.00 1.23 O flip ATOM 728 ND2 ASN A 47 1.291 13.437 1.576 1.00 74.53 N flip ATOM 0 H ASN A 47 -0.534 9.980 2.913 1.00 42.12 H new ATOM 0 HA ASN A 47 2.426 9.861 2.856 1.00 60.23 H new ATOM 0 HB2 ASN A 47 0.608 12.170 3.691 1.00 55.32 H new ATOM 0 HB3 ASN A 47 2.338 12.137 3.969 1.00 55.32 H new ATOM 0 HD21 ASN A 47 0.707 13.955 2.233 1.00 74.53 H new ATOM 0 HD22 ASN A 47 1.464 13.811 0.643 1.00 74.53 H new ATOM 735 N GLN A 48 0.679 8.714 5.036 1.00 72.11 N ATOM 736 CA GLN A 48 0.657 8.072 6.359 1.00 40.21 C ATOM 737 C GLN A 48 1.268 6.660 6.296 1.00 54.21 C ATOM 738 O GLN A 48 0.625 5.709 5.842 1.00 63.00 O ATOM 739 CB GLN A 48 -0.778 8.016 6.909 1.00 53.34 C ATOM 740 CG GLN A 48 -1.345 9.381 7.298 1.00 15.33 C ATOM 741 CD GLN A 48 -0.788 9.910 8.616 1.00 72.33 C ATOM 742 OE1 GLN A 48 0.325 9.587 9.020 1.00 34.02 O ATOM 743 NE2 GLN A 48 -1.555 10.749 9.289 1.00 11.01 N ATOM 0 H GLN A 48 0.029 8.312 4.361 1.00 72.11 H new ATOM 0 HA GLN A 48 1.263 8.673 7.037 1.00 40.21 H new ATOM 0 HB2 GLN A 48 -1.427 7.564 6.159 1.00 53.34 H new ATOM 0 HB3 GLN A 48 -0.797 7.363 7.782 1.00 53.34 H new ATOM 0 HG2 GLN A 48 -1.127 10.097 6.506 1.00 15.33 H new ATOM 0 HG3 GLN A 48 -2.430 9.309 7.373 1.00 15.33 H new ATOM 0 HE21 GLN A 48 -2.476 10.999 8.929 1.00 11.01 H new ATOM 0 HE22 GLN A 48 -1.226 11.147 10.169 1.00 11.01 H new ATOM 752 N SER A 49 2.513 6.539 6.758 1.00 2.21 N ATOM 753 CA SER A 49 3.251 5.265 6.723 1.00 63.24 C ATOM 754 C SER A 49 2.614 4.219 7.647 1.00 42.04 C ATOM 755 O SER A 49 2.713 4.314 8.872 1.00 53.40 O ATOM 756 CB SER A 49 4.721 5.492 7.114 1.00 41.32 C ATOM 757 OG SER A 49 4.827 6.168 8.362 1.00 13.01 O ATOM 0 H SER A 49 3.040 7.312 7.165 1.00 2.21 H new ATOM 0 HA SER A 49 3.205 4.882 5.704 1.00 63.24 H new ATOM 0 HB2 SER A 49 5.236 4.533 7.173 1.00 41.32 H new ATOM 0 HB3 SER A 49 5.220 6.074 6.339 1.00 41.32 H new ATOM 0 HG SER A 49 4.223 5.752 9.012 1.00 13.01 H new ATOM 763 N LEU A 50 1.957 3.230 7.049 1.00 5.25 N ATOM 764 CA LEU A 50 1.253 2.191 7.810 1.00 23.31 C ATOM 765 C LEU A 50 2.209 1.088 8.310 1.00 21.41 C ATOM 766 O LEU A 50 3.230 0.803 7.686 1.00 5.03 O ATOM 767 CB LEU A 50 0.110 1.600 6.958 1.00 33.22 C ATOM 768 CG LEU A 50 0.458 1.234 5.495 1.00 3.31 C ATOM 769 CD1 LEU A 50 1.319 -0.022 5.413 1.00 50.11 C ATOM 770 CD2 LEU A 50 -0.815 1.066 4.666 1.00 63.30 C ATOM 0 H LEU A 50 1.895 3.122 6.037 1.00 5.25 H new ATOM 0 HA LEU A 50 0.826 2.655 8.699 1.00 23.31 H new ATOM 0 HB2 LEU A 50 -0.258 0.703 7.456 1.00 33.22 H new ATOM 0 HB3 LEU A 50 -0.711 2.317 6.944 1.00 33.22 H new ATOM 0 HG LEU A 50 1.041 2.058 5.083 1.00 3.31 H new ATOM 0 HD11 LEU A 50 1.540 -0.244 4.369 1.00 50.11 H new ATOM 0 HD12 LEU A 50 2.251 0.140 5.955 1.00 50.11 H new ATOM 0 HD13 LEU A 50 0.782 -0.861 5.856 1.00 50.11 H new ATOM 0 HD21 LEU A 50 -0.550 0.809 3.640 1.00 63.30 H new ATOM 0 HD22 LEU A 50 -1.425 0.270 5.093 1.00 63.30 H new ATOM 0 HD23 LEU A 50 -1.379 1.999 4.672 1.00 63.30 H new ATOM 782 N HIS A 51 1.865 0.480 9.445 1.00 11.34 N ATOM 783 CA HIS A 51 2.688 -0.585 10.034 1.00 5.35 C ATOM 784 C HIS A 51 2.289 -1.970 9.496 1.00 32.23 C ATOM 785 O HIS A 51 3.147 -2.784 9.147 1.00 2.02 O ATOM 786 CB HIS A 51 2.567 -0.556 11.563 1.00 1.04 C ATOM 787 CG HIS A 51 3.164 0.667 12.191 1.00 5.13 C ATOM 788 ND1 HIS A 51 4.204 0.615 13.095 1.00 51.30 N ATOM 789 CD2 HIS A 51 2.864 1.981 12.047 1.00 23.11 C ATOM 790 CE1 HIS A 51 4.516 1.837 13.479 1.00 75.44 C ATOM 791 NE2 HIS A 51 3.718 2.684 12.859 1.00 71.51 N ATOM 0 H HIS A 51 1.024 0.704 9.977 1.00 11.34 H new ATOM 0 HA HIS A 51 3.725 -0.404 9.750 1.00 5.35 H new ATOM 0 HB2 HIS A 51 1.514 -0.617 11.837 1.00 1.04 H new ATOM 0 HB3 HIS A 51 3.055 -1.440 11.974 1.00 1.04 H new ATOM 0 HD2 HIS A 51 2.096 2.397 11.412 1.00 23.11 H new ATOM 0 HE1 HIS A 51 5.293 2.100 14.182 1.00 75.44 H new ATOM 0 HE2 HIS A 51 3.733 3.698 12.966 1.00 71.51 H new ATOM 800 N GLU A 52 0.984 -2.237 9.453 1.00 71.13 N ATOM 801 CA GLU A 52 0.459 -3.486 8.885 1.00 72.12 C ATOM 802 C GLU A 52 -0.393 -3.203 7.636 1.00 0.35 C ATOM 803 O GLU A 52 -1.059 -2.167 7.538 1.00 2.11 O ATOM 804 CB GLU A 52 -0.382 -4.254 9.924 1.00 33.30 C ATOM 805 CG GLU A 52 0.396 -4.770 11.139 1.00 43.35 C ATOM 806 CD GLU A 52 0.906 -3.662 12.048 1.00 54.44 C ATOM 807 OE1 GLU A 52 0.114 -2.751 12.374 1.00 60.41 O ATOM 808 OE2 GLU A 52 2.097 -3.694 12.430 1.00 13.55 O ATOM 0 H GLU A 52 0.266 -1.604 9.805 1.00 71.13 H new ATOM 0 HA GLU A 52 1.312 -4.102 8.599 1.00 72.12 H new ATOM 0 HB2 GLU A 52 -1.182 -3.602 10.275 1.00 33.30 H new ATOM 0 HB3 GLU A 52 -0.856 -5.102 9.429 1.00 33.30 H new ATOM 0 HG2 GLU A 52 -0.246 -5.436 11.716 1.00 43.35 H new ATOM 0 HG3 GLU A 52 1.242 -5.364 10.793 1.00 43.35 H new ATOM 815 N ALA A 53 -0.380 -4.140 6.689 1.00 24.20 N ATOM 816 CA ALA A 53 -1.122 -3.988 5.433 1.00 71.22 C ATOM 817 C ALA A 53 -1.599 -5.342 4.892 1.00 52.33 C ATOM 818 O ALA A 53 -1.088 -6.394 5.276 1.00 55.14 O ATOM 819 CB ALA A 53 -0.255 -3.282 4.392 1.00 11.11 C ATOM 0 H ALA A 53 0.137 -5.016 6.766 1.00 24.20 H new ATOM 0 HA ALA A 53 -2.004 -3.382 5.639 1.00 71.22 H new ATOM 0 HB1 ALA A 53 -0.816 -3.175 3.464 1.00 11.11 H new ATOM 0 HB2 ALA A 53 0.027 -2.296 4.762 1.00 11.11 H new ATOM 0 HB3 ALA A 53 0.643 -3.871 4.207 1.00 11.11 H new ATOM 825 N LEU A 54 -2.581 -5.305 3.996 1.00 1.45 N ATOM 826 CA LEU A 54 -3.144 -6.521 3.400 1.00 60.21 C ATOM 827 C LEU A 54 -2.822 -6.607 1.900 1.00 43.35 C ATOM 828 O LEU A 54 -3.081 -5.671 1.149 1.00 32.31 O ATOM 829 CB LEU A 54 -4.666 -6.560 3.609 1.00 20.11 C ATOM 830 CG LEU A 54 -5.124 -6.655 5.075 1.00 10.01 C ATOM 831 CD1 LEU A 54 -6.646 -6.587 5.177 1.00 15.43 C ATOM 832 CD2 LEU A 54 -4.593 -7.933 5.722 1.00 15.41 C ATOM 0 H LEU A 54 -3.009 -4.441 3.662 1.00 1.45 H new ATOM 0 HA LEU A 54 -2.689 -7.378 3.897 1.00 60.21 H new ATOM 0 HB2 LEU A 54 -5.100 -5.663 3.167 1.00 20.11 H new ATOM 0 HB3 LEU A 54 -5.070 -7.413 3.063 1.00 20.11 H new ATOM 0 HG LEU A 54 -4.713 -5.802 5.615 1.00 10.01 H new ATOM 0 HD11 LEU A 54 -6.944 -6.656 6.223 1.00 15.43 H new ATOM 0 HD12 LEU A 54 -6.997 -5.642 4.762 1.00 15.43 H new ATOM 0 HD13 LEU A 54 -7.085 -7.414 4.619 1.00 15.43 H new ATOM 0 HD21 LEU A 54 -4.927 -7.982 6.758 1.00 15.41 H new ATOM 0 HD22 LEU A 54 -4.969 -8.800 5.178 1.00 15.41 H new ATOM 0 HD23 LEU A 54 -3.503 -7.930 5.692 1.00 15.41 H new ATOM 844 N ILE A 55 -2.272 -7.737 1.468 1.00 54.51 N ATOM 845 CA ILE A 55 -1.929 -7.942 0.057 1.00 2.34 C ATOM 846 C ILE A 55 -2.977 -8.813 -0.654 1.00 12.22 C ATOM 847 O ILE A 55 -3.448 -9.815 -0.110 1.00 22.40 O ATOM 848 CB ILE A 55 -0.526 -8.598 -0.092 1.00 34.20 C ATOM 849 CG1 ILE A 55 -0.144 -8.767 -1.576 1.00 21.21 C ATOM 850 CG2 ILE A 55 -0.467 -9.946 0.635 1.00 24.00 C ATOM 851 CD1 ILE A 55 -0.064 -7.466 -2.353 1.00 65.34 C ATOM 0 H ILE A 55 -2.052 -8.529 2.072 1.00 54.51 H new ATOM 0 HA ILE A 55 -1.913 -6.958 -0.411 1.00 2.34 H new ATOM 0 HB ILE A 55 0.200 -7.929 0.371 1.00 34.20 H new ATOM 0 HG12 ILE A 55 0.820 -9.272 -1.636 1.00 21.21 H new ATOM 0 HG13 ILE A 55 -0.875 -9.418 -2.055 1.00 21.21 H new ATOM 0 HG21 ILE A 55 0.525 -10.382 0.514 1.00 24.00 H new ATOM 0 HG22 ILE A 55 -0.671 -9.797 1.695 1.00 24.00 H new ATOM 0 HG23 ILE A 55 -1.213 -10.620 0.213 1.00 24.00 H new ATOM 0 HD11 ILE A 55 0.210 -7.676 -3.387 1.00 65.34 H new ATOM 0 HD12 ILE A 55 -1.033 -6.967 -2.329 1.00 65.34 H new ATOM 0 HD13 ILE A 55 0.688 -6.819 -1.902 1.00 65.34 H new ATOM 863 N THR A 56 -3.353 -8.407 -1.865 1.00 3.25 N ATOM 864 CA THR A 56 -4.257 -9.199 -2.707 1.00 74.32 C ATOM 865 C THR A 56 -3.579 -10.473 -3.224 1.00 12.32 C ATOM 866 O THR A 56 -2.375 -10.485 -3.494 1.00 60.44 O ATOM 867 CB THR A 56 -4.773 -8.381 -3.917 1.00 50.04 C ATOM 868 OG1 THR A 56 -3.666 -7.817 -4.644 1.00 73.44 O ATOM 869 CG2 THR A 56 -5.715 -7.267 -3.465 1.00 14.22 C ATOM 0 H THR A 56 -3.046 -7.532 -2.289 1.00 3.25 H new ATOM 0 HA THR A 56 -5.100 -9.474 -2.074 1.00 74.32 H new ATOM 0 HB THR A 56 -5.326 -9.057 -4.569 1.00 50.04 H new ATOM 0 HG1 THR A 56 -3.259 -7.099 -4.115 1.00 73.44 H new ATOM 0 HG21 THR A 56 -6.062 -6.709 -4.335 1.00 14.22 H new ATOM 0 HG22 THR A 56 -6.570 -7.701 -2.948 1.00 14.22 H new ATOM 0 HG23 THR A 56 -5.186 -6.595 -2.790 1.00 14.22 H new ATOM 877 N ARG A 57 -4.362 -11.537 -3.362 1.00 42.50 N ATOM 878 CA ARG A 57 -3.860 -12.830 -3.844 1.00 54.50 C ATOM 879 C ARG A 57 -3.198 -12.707 -5.229 1.00 33.43 C ATOM 880 O ARG A 57 -2.220 -13.392 -5.526 1.00 21.43 O ATOM 881 CB ARG A 57 -5.016 -13.841 -3.895 1.00 5.12 C ATOM 882 CG ARG A 57 -4.613 -15.242 -4.350 1.00 74.31 C ATOM 883 CD ARG A 57 -5.823 -16.164 -4.460 1.00 62.51 C ATOM 884 NE ARG A 57 -5.453 -17.493 -4.933 1.00 51.14 N ATOM 885 CZ ARG A 57 -6.300 -18.458 -5.161 1.00 71.34 C ATOM 886 NH1 ARG A 57 -7.574 -18.281 -4.991 1.00 71.25 N ATOM 887 NH2 ARG A 57 -5.865 -19.605 -5.571 1.00 44.14 N ATOM 0 H ARG A 57 -5.359 -11.534 -3.146 1.00 42.50 H new ATOM 0 HA ARG A 57 -3.096 -13.178 -3.149 1.00 54.50 H new ATOM 0 HB2 ARG A 57 -5.466 -13.910 -2.904 1.00 5.12 H new ATOM 0 HB3 ARG A 57 -5.785 -13.461 -4.568 1.00 5.12 H new ATOM 0 HG2 ARG A 57 -4.111 -15.182 -5.316 1.00 74.31 H new ATOM 0 HG3 ARG A 57 -3.897 -15.663 -3.644 1.00 74.31 H new ATOM 0 HD2 ARG A 57 -6.306 -16.247 -3.486 1.00 62.51 H new ATOM 0 HD3 ARG A 57 -6.552 -15.726 -5.142 1.00 62.51 H new ATOM 0 HE ARG A 57 -4.464 -17.681 -5.097 1.00 51.14 H new ATOM 0 HH11 ARG A 57 -7.926 -17.377 -4.675 1.00 71.25 H new ATOM 0 HH12 ARG A 57 -8.224 -19.046 -5.174 1.00 71.25 H new ATOM 0 HH21 ARG A 57 -4.866 -19.750 -5.714 1.00 44.14 H new ATOM 0 HH22 ARG A 57 -6.521 -20.365 -5.751 1.00 44.14 H new ATOM 901 N ASP A 58 -3.735 -11.821 -6.067 1.00 1.32 N ATOM 902 CA ASP A 58 -3.198 -11.594 -7.415 1.00 52.23 C ATOM 903 C ASP A 58 -2.170 -10.442 -7.438 1.00 1.21 C ATOM 904 O ASP A 58 -1.750 -9.995 -8.505 1.00 71.55 O ATOM 905 CB ASP A 58 -4.346 -11.350 -8.405 1.00 14.03 C ATOM 906 CG ASP A 58 -5.286 -10.238 -7.977 1.00 44.53 C ATOM 907 OD1 ASP A 58 -5.840 -10.314 -6.858 1.00 51.01 O ATOM 908 OD2 ASP A 58 -5.489 -9.291 -8.758 1.00 34.44 O ATOM 0 H ASP A 58 -4.545 -11.245 -5.838 1.00 1.32 H new ATOM 0 HA ASP A 58 -2.663 -12.492 -7.724 1.00 52.23 H new ATOM 0 HB2 ASP A 58 -3.928 -11.106 -9.382 1.00 14.03 H new ATOM 0 HB3 ASP A 58 -4.916 -12.272 -8.523 1.00 14.03 H new ATOM 913 N ARG A 59 -1.779 -9.974 -6.245 1.00 40.43 N ATOM 914 CA ARG A 59 -0.643 -9.049 -6.069 1.00 42.12 C ATOM 915 C ARG A 59 -0.860 -7.654 -6.691 1.00 14.54 C ATOM 916 O ARG A 59 0.101 -6.911 -6.884 1.00 3.34 O ATOM 917 CB ARG A 59 0.634 -9.668 -6.662 1.00 74.24 C ATOM 918 CG ARG A 59 1.021 -11.018 -6.065 1.00 35.54 C ATOM 919 CD ARG A 59 1.437 -10.913 -4.601 1.00 20.41 C ATOM 920 NE ARG A 59 1.972 -12.178 -4.102 1.00 73.50 N ATOM 921 CZ ARG A 59 2.948 -12.283 -3.242 1.00 13.01 C ATOM 922 NH1 ARG A 59 3.501 -11.225 -2.735 1.00 75.45 N ATOM 923 NH2 ARG A 59 3.374 -13.454 -2.899 1.00 34.14 N ATOM 0 H ARG A 59 -2.240 -10.225 -5.371 1.00 40.43 H new ATOM 0 HA ARG A 59 -0.548 -8.901 -4.993 1.00 42.12 H new ATOM 0 HB2 ARG A 59 0.500 -9.786 -7.737 1.00 74.24 H new ATOM 0 HB3 ARG A 59 1.460 -8.972 -6.519 1.00 74.24 H new ATOM 0 HG2 ARG A 59 0.179 -11.704 -6.151 1.00 35.54 H new ATOM 0 HG3 ARG A 59 1.841 -11.445 -6.642 1.00 35.54 H new ATOM 0 HD2 ARG A 59 2.188 -10.131 -4.491 1.00 20.41 H new ATOM 0 HD3 ARG A 59 0.578 -10.617 -3.998 1.00 20.41 H new ATOM 0 HE ARG A 59 1.553 -13.040 -4.451 1.00 73.50 H new ATOM 0 HH11 ARG A 59 3.174 -10.298 -3.008 1.00 75.45 H new ATOM 0 HH12 ARG A 59 4.263 -11.320 -2.064 1.00 75.45 H new ATOM 0 HH21 ARG A 59 2.948 -14.289 -3.300 1.00 34.14 H new ATOM 0 HH22 ARG A 59 4.137 -13.543 -2.227 1.00 34.14 H new ATOM 937 N LYS A 60 -2.104 -7.281 -6.969 1.00 4.12 N ATOM 938 CA LYS A 60 -2.381 -5.986 -7.616 1.00 24.22 C ATOM 939 C LYS A 60 -2.573 -4.856 -6.588 1.00 22.03 C ATOM 940 O LYS A 60 -1.936 -3.803 -6.679 1.00 73.41 O ATOM 941 CB LYS A 60 -3.623 -6.089 -8.513 1.00 1.51 C ATOM 942 CG LYS A 60 -3.508 -7.141 -9.615 1.00 22.10 C ATOM 943 CD LYS A 60 -2.363 -6.850 -10.585 1.00 4.12 C ATOM 944 CE LYS A 60 -2.257 -7.926 -11.664 1.00 21.22 C ATOM 945 NZ LYS A 60 -1.184 -7.626 -12.650 1.00 60.04 N ATOM 0 H LYS A 60 -2.931 -7.841 -6.764 1.00 4.12 H new ATOM 0 HA LYS A 60 -1.512 -5.739 -8.225 1.00 24.22 H new ATOM 0 HB2 LYS A 60 -4.489 -6.321 -7.892 1.00 1.51 H new ATOM 0 HB3 LYS A 60 -3.810 -5.117 -8.970 1.00 1.51 H new ATOM 0 HG2 LYS A 60 -3.357 -8.121 -9.163 1.00 22.10 H new ATOM 0 HG3 LYS A 60 -4.446 -7.187 -10.168 1.00 22.10 H new ATOM 0 HD2 LYS A 60 -2.519 -5.878 -11.053 1.00 4.12 H new ATOM 0 HD3 LYS A 60 -1.424 -6.792 -10.034 1.00 4.12 H new ATOM 0 HE2 LYS A 60 -2.059 -8.890 -11.196 1.00 21.22 H new ATOM 0 HE3 LYS A 60 -3.211 -8.014 -12.183 1.00 21.22 H new ATOM 0 HZ1 LYS A 60 -1.147 -8.382 -13.364 1.00 60.04 H new ATOM 0 HZ2 LYS A 60 -1.385 -6.719 -13.117 1.00 60.04 H new ATOM 0 HZ3 LYS A 60 -0.269 -7.568 -12.160 1.00 60.04 H new ATOM 959 N GLN A 61 -3.446 -5.080 -5.606 1.00 61.11 N ATOM 960 CA GLN A 61 -3.808 -4.035 -4.636 1.00 34.45 C ATOM 961 C GLN A 61 -3.315 -4.355 -3.215 1.00 72.55 C ATOM 962 O GLN A 61 -3.070 -5.517 -2.873 1.00 22.52 O ATOM 963 CB GLN A 61 -5.331 -3.846 -4.622 1.00 21.55 C ATOM 964 CG GLN A 61 -5.912 -3.440 -5.972 1.00 53.30 C ATOM 965 CD GLN A 61 -7.430 -3.446 -5.983 1.00 21.10 C ATOM 966 OE1 GLN A 61 -8.059 -4.452 -6.298 1.00 1.15 O ATOM 967 NE2 GLN A 61 -8.030 -2.327 -5.631 1.00 4.13 N ATOM 0 H GLN A 61 -3.917 -5.972 -5.457 1.00 61.11 H new ATOM 0 HA GLN A 61 -3.316 -3.115 -4.953 1.00 34.45 H new ATOM 0 HB2 GLN A 61 -5.800 -4.775 -4.299 1.00 21.55 H new ATOM 0 HB3 GLN A 61 -5.587 -3.086 -3.883 1.00 21.55 H new ATOM 0 HG2 GLN A 61 -5.555 -2.443 -6.232 1.00 53.30 H new ATOM 0 HG3 GLN A 61 -5.545 -4.120 -6.740 1.00 53.30 H new ATOM 0 HE21 GLN A 61 -7.476 -1.510 -5.375 1.00 4.13 H new ATOM 0 HE22 GLN A 61 -9.049 -2.278 -5.614 1.00 4.13 H new ATOM 976 N VAL A 62 -3.171 -3.307 -2.402 1.00 11.23 N ATOM 977 CA VAL A 62 -2.787 -3.430 -0.990 1.00 52.21 C ATOM 978 C VAL A 62 -3.701 -2.569 -0.098 1.00 51.31 C ATOM 979 O VAL A 62 -3.880 -1.379 -0.351 1.00 71.11 O ATOM 980 CB VAL A 62 -1.313 -2.992 -0.766 1.00 11.21 C ATOM 981 CG1 VAL A 62 -0.936 -3.081 0.713 1.00 22.05 C ATOM 982 CG2 VAL A 62 -0.355 -3.823 -1.618 1.00 63.03 C ATOM 0 H VAL A 62 -3.318 -2.344 -2.704 1.00 11.23 H new ATOM 0 HA VAL A 62 -2.893 -4.480 -0.719 1.00 52.21 H new ATOM 0 HB VAL A 62 -1.225 -1.952 -1.079 1.00 11.21 H new ATOM 0 HG11 VAL A 62 0.100 -2.769 0.844 1.00 22.05 H new ATOM 0 HG12 VAL A 62 -1.587 -2.428 1.294 1.00 22.05 H new ATOM 0 HG13 VAL A 62 -1.052 -4.109 1.057 1.00 22.05 H new ATOM 0 HG21 VAL A 62 0.669 -3.494 -1.440 1.00 63.03 H new ATOM 0 HG22 VAL A 62 -0.450 -4.875 -1.350 1.00 63.03 H new ATOM 0 HG23 VAL A 62 -0.600 -3.693 -2.672 1.00 63.03 H new ATOM 992 N PHE A 63 -4.278 -3.175 0.940 1.00 72.13 N ATOM 993 CA PHE A 63 -5.144 -2.450 1.887 1.00 13.42 C ATOM 994 C PHE A 63 -4.392 -2.070 3.172 1.00 63.05 C ATOM 995 O PHE A 63 -3.289 -2.554 3.431 1.00 63.33 O ATOM 996 CB PHE A 63 -6.384 -3.291 2.230 1.00 15.33 C ATOM 997 CG PHE A 63 -7.346 -3.439 1.079 1.00 41.22 C ATOM 998 CD1 PHE A 63 -7.189 -4.452 0.139 1.00 74.13 C ATOM 999 CD2 PHE A 63 -8.410 -2.556 0.930 1.00 22.44 C ATOM 1000 CE1 PHE A 63 -8.069 -4.580 -0.919 1.00 5.14 C ATOM 1001 CE2 PHE A 63 -9.291 -2.680 -0.126 1.00 2.32 C ATOM 1002 CZ PHE A 63 -9.121 -3.693 -1.052 1.00 74.25 C ATOM 0 H PHE A 63 -4.165 -4.166 1.151 1.00 72.13 H new ATOM 0 HA PHE A 63 -5.459 -1.527 1.401 1.00 13.42 H new ATOM 0 HB2 PHE A 63 -6.064 -4.281 2.555 1.00 15.33 H new ATOM 0 HB3 PHE A 63 -6.904 -2.832 3.071 1.00 15.33 H new ATOM 0 HD1 PHE A 63 -6.369 -5.148 0.237 1.00 74.13 H new ATOM 0 HD2 PHE A 63 -8.549 -1.763 1.650 1.00 22.44 H new ATOM 0 HE1 PHE A 63 -7.935 -5.372 -1.641 1.00 5.14 H new ATOM 0 HE2 PHE A 63 -10.112 -1.986 -0.229 1.00 2.32 H new ATOM 0 HZ PHE A 63 -9.809 -3.791 -1.878 1.00 74.25 H new ATOM 1012 N ARG A 64 -5.013 -1.218 3.986 1.00 63.04 N ATOM 1013 CA ARG A 64 -4.374 -0.685 5.198 1.00 54.50 C ATOM 1014 C ARG A 64 -4.926 -1.331 6.482 1.00 24.04 C ATOM 1015 O ARG A 64 -6.122 -1.573 6.606 1.00 74.12 O ATOM 1016 CB ARG A 64 -4.579 0.841 5.258 1.00 21.34 C ATOM 1017 CG ARG A 64 -3.986 1.503 6.501 1.00 12.34 C ATOM 1018 CD ARG A 64 -4.164 3.018 6.482 1.00 25.34 C ATOM 1019 NE ARG A 64 -3.515 3.657 7.629 1.00 13.13 N ATOM 1020 CZ ARG A 64 -2.387 4.313 7.566 1.00 30.44 C ATOM 1021 NH1 ARG A 64 -1.783 4.482 6.430 1.00 73.03 N ATOM 1022 NH2 ARG A 64 -1.883 4.816 8.640 1.00 53.14 N ATOM 0 H ARG A 64 -5.962 -0.878 3.831 1.00 63.04 H new ATOM 0 HA ARG A 64 -3.312 -0.924 5.142 1.00 54.50 H new ATOM 0 HB2 ARG A 64 -4.132 1.292 4.372 1.00 21.34 H new ATOM 0 HB3 ARG A 64 -5.647 1.055 5.220 1.00 21.34 H new ATOM 0 HG2 ARG A 64 -4.462 1.093 7.392 1.00 12.34 H new ATOM 0 HG3 ARG A 64 -2.925 1.264 6.568 1.00 12.34 H new ATOM 0 HD2 ARG A 64 -3.749 3.421 5.558 1.00 25.34 H new ATOM 0 HD3 ARG A 64 -5.227 3.259 6.485 1.00 25.34 H new ATOM 0 HE ARG A 64 -3.974 3.585 8.537 1.00 13.13 H new ATOM 0 HH11 ARG A 64 -2.189 4.101 5.575 1.00 73.03 H new ATOM 0 HH12 ARG A 64 -0.903 4.996 6.392 1.00 73.03 H new ATOM 0 HH21 ARG A 64 -2.364 4.701 9.532 1.00 53.14 H new ATOM 0 HH22 ARG A 64 -1.003 5.329 8.598 1.00 53.14 H new ATOM 1036 N ILE A 65 -4.043 -1.614 7.438 1.00 73.01 N ATOM 1037 CA ILE A 65 -4.468 -2.029 8.779 1.00 71.32 C ATOM 1038 C ILE A 65 -4.109 -0.940 9.798 1.00 43.51 C ATOM 1039 O ILE A 65 -2.946 -0.784 10.173 1.00 34.31 O ATOM 1040 CB ILE A 65 -3.825 -3.371 9.208 1.00 1.01 C ATOM 1041 CG1 ILE A 65 -4.135 -4.470 8.178 1.00 23.02 C ATOM 1042 CG2 ILE A 65 -4.322 -3.780 10.594 1.00 65.13 C ATOM 1043 CD1 ILE A 65 -3.535 -5.819 8.520 1.00 52.23 C ATOM 0 H ILE A 65 -3.032 -1.565 7.313 1.00 73.01 H new ATOM 0 HA ILE A 65 -5.548 -2.174 8.748 1.00 71.32 H new ATOM 0 HB ILE A 65 -2.744 -3.238 9.254 1.00 1.01 H new ATOM 0 HG12 ILE A 65 -5.216 -4.576 8.089 1.00 23.02 H new ATOM 0 HG13 ILE A 65 -3.764 -4.155 7.203 1.00 23.02 H new ATOM 0 HG21 ILE A 65 -3.861 -4.725 10.882 1.00 65.13 H new ATOM 0 HG22 ILE A 65 -4.054 -3.011 11.318 1.00 65.13 H new ATOM 0 HG23 ILE A 65 -5.406 -3.897 10.572 1.00 65.13 H new ATOM 0 HD11 ILE A 65 -3.798 -6.541 7.747 1.00 52.23 H new ATOM 0 HD12 ILE A 65 -2.450 -5.730 8.580 1.00 52.23 H new ATOM 0 HD13 ILE A 65 -3.925 -6.158 9.480 1.00 52.23 H new ATOM 1055 N GLU A 66 -5.107 -0.180 10.233 1.00 31.23 N ATOM 1056 CA GLU A 66 -4.882 0.965 11.123 1.00 3.04 C ATOM 1057 C GLU A 66 -5.252 0.637 12.576 1.00 75.43 C ATOM 1058 O GLU A 66 -6.393 0.274 12.867 1.00 12.20 O ATOM 1059 CB GLU A 66 -5.691 2.175 10.632 1.00 64.53 C ATOM 1060 CG GLU A 66 -5.564 3.412 11.515 1.00 75.25 C ATOM 1061 CD GLU A 66 -4.123 3.866 11.688 1.00 43.50 C ATOM 1062 OE1 GLU A 66 -3.570 4.468 10.745 1.00 22.12 O ATOM 1063 OE2 GLU A 66 -3.538 3.619 12.766 1.00 73.40 O ATOM 0 H GLU A 66 -6.085 -0.332 9.986 1.00 31.23 H new ATOM 0 HA GLU A 66 -3.819 1.203 11.099 1.00 3.04 H new ATOM 0 HB2 GLU A 66 -5.368 2.428 9.622 1.00 64.53 H new ATOM 0 HB3 GLU A 66 -6.742 1.894 10.569 1.00 64.53 H new ATOM 0 HG2 GLU A 66 -6.147 4.224 11.081 1.00 75.25 H new ATOM 0 HG3 GLU A 66 -5.993 3.200 12.494 1.00 75.25 H new ATOM 1070 N ASP A 67 -4.281 0.772 13.482 1.00 35.21 N ATOM 1071 CA ASP A 67 -4.499 0.534 14.913 1.00 3.10 C ATOM 1072 C ASP A 67 -5.028 -0.895 15.165 1.00 12.20 C ATOM 1073 O ASP A 67 -5.929 -1.109 15.976 1.00 51.24 O ATOM 1074 CB ASP A 67 -5.468 1.592 15.471 1.00 64.31 C ATOM 1075 CG ASP A 67 -5.325 1.780 16.971 1.00 22.52 C ATOM 1076 OD1 ASP A 67 -4.295 2.342 17.400 1.00 52.22 O ATOM 1077 OD2 ASP A 67 -6.234 1.379 17.727 1.00 73.22 O ATOM 0 H ASP A 67 -3.327 1.047 13.248 1.00 35.21 H new ATOM 0 HA ASP A 67 -3.546 0.622 15.434 1.00 3.10 H new ATOM 0 HB2 ASP A 67 -5.289 2.544 14.970 1.00 64.31 H new ATOM 0 HB3 ASP A 67 -6.492 1.299 15.241 1.00 64.31 H new ATOM 1082 N SER A 68 -4.448 -1.866 14.450 1.00 54.33 N ATOM 1083 CA SER A 68 -4.860 -3.280 14.535 1.00 31.02 C ATOM 1084 C SER A 68 -6.265 -3.508 13.955 1.00 2.01 C ATOM 1085 O SER A 68 -6.832 -4.594 14.093 1.00 11.25 O ATOM 1086 CB SER A 68 -4.788 -3.800 15.985 1.00 63.44 C ATOM 1087 OG SER A 68 -3.449 -3.817 16.459 1.00 41.32 O ATOM 0 H SER A 68 -3.682 -1.699 13.797 1.00 54.33 H new ATOM 0 HA SER A 68 -4.154 -3.848 13.929 1.00 31.02 H new ATOM 0 HB2 SER A 68 -5.397 -3.168 16.631 1.00 63.44 H new ATOM 0 HB3 SER A 68 -5.207 -4.805 16.035 1.00 63.44 H new ATOM 0 HG SER A 68 -3.433 -4.149 17.381 1.00 41.32 H new ATOM 1093 N ILE A 69 -6.818 -2.493 13.297 1.00 11.13 N ATOM 1094 CA ILE A 69 -8.116 -2.612 12.624 1.00 11.34 C ATOM 1095 C ILE A 69 -7.933 -2.801 11.105 1.00 10.35 C ATOM 1096 O ILE A 69 -7.345 -1.947 10.434 1.00 30.41 O ATOM 1097 CB ILE A 69 -9.002 -1.362 12.881 1.00 4.51 C ATOM 1098 CG1 ILE A 69 -9.221 -1.150 14.391 1.00 70.02 C ATOM 1099 CG2 ILE A 69 -10.342 -1.484 12.154 1.00 35.12 C ATOM 1100 CD1 ILE A 69 -9.932 -2.298 15.084 1.00 3.13 C ATOM 0 H ILE A 69 -6.388 -1.572 13.213 1.00 11.13 H new ATOM 0 HA ILE A 69 -8.614 -3.489 13.039 1.00 11.34 H new ATOM 0 HB ILE A 69 -8.480 -0.491 12.485 1.00 4.51 H new ATOM 0 HG12 ILE A 69 -8.254 -0.995 14.869 1.00 70.02 H new ATOM 0 HG13 ILE A 69 -9.799 -0.238 14.538 1.00 70.02 H new ATOM 0 HG21 ILE A 69 -10.944 -0.597 12.350 1.00 35.12 H new ATOM 0 HG22 ILE A 69 -10.167 -1.575 11.082 1.00 35.12 H new ATOM 0 HG23 ILE A 69 -10.871 -2.367 12.512 1.00 35.12 H new ATOM 0 HD11 ILE A 69 -10.046 -2.069 16.143 1.00 3.13 H new ATOM 0 HD12 ILE A 69 -10.915 -2.441 14.636 1.00 3.13 H new ATOM 0 HD13 ILE A 69 -9.346 -3.210 14.971 1.00 3.13 H new ATOM 1112 N PRO A 70 -8.423 -3.926 10.538 1.00 30.13 N ATOM 1113 CA PRO A 70 -8.303 -4.194 9.096 1.00 52.10 C ATOM 1114 C PRO A 70 -9.199 -3.277 8.245 1.00 15.30 C ATOM 1115 O PRO A 70 -10.395 -3.530 8.080 1.00 12.10 O ATOM 1116 CB PRO A 70 -8.741 -5.660 8.973 1.00 71.55 C ATOM 1117 CG PRO A 70 -9.661 -5.876 10.128 1.00 61.52 C ATOM 1118 CD PRO A 70 -9.132 -5.014 11.247 1.00 10.02 C ATOM 0 HA PRO A 70 -7.295 -4.006 8.728 1.00 52.10 H new ATOM 0 HB2 PRO A 70 -9.245 -5.845 8.025 1.00 71.55 H new ATOM 0 HB3 PRO A 70 -7.886 -6.334 9.016 1.00 71.55 H new ATOM 0 HG2 PRO A 70 -10.683 -5.597 9.870 1.00 61.52 H new ATOM 0 HG3 PRO A 70 -9.681 -6.926 10.420 1.00 61.52 H new ATOM 0 HD2 PRO A 70 -9.938 -4.628 11.872 1.00 10.02 H new ATOM 0 HD3 PRO A 70 -8.461 -5.571 11.900 1.00 10.02 H new ATOM 1126 N VAL A 71 -8.613 -2.203 7.719 1.00 5.45 N ATOM 1127 CA VAL A 71 -9.355 -1.231 6.911 1.00 32.32 C ATOM 1128 C VAL A 71 -9.560 -1.751 5.478 1.00 10.01 C ATOM 1129 O VAL A 71 -8.682 -1.628 4.623 1.00 33.13 O ATOM 1130 CB VAL A 71 -8.626 0.138 6.868 1.00 21.30 C ATOM 1131 CG1 VAL A 71 -9.453 1.184 6.122 1.00 1.32 C ATOM 1132 CG2 VAL A 71 -8.292 0.611 8.284 1.00 33.43 C ATOM 0 H VAL A 71 -7.624 -1.982 7.837 1.00 5.45 H new ATOM 0 HA VAL A 71 -10.328 -1.094 7.382 1.00 32.32 H new ATOM 0 HB VAL A 71 -7.693 0.007 6.320 1.00 21.30 H new ATOM 0 HG11 VAL A 71 -8.915 2.132 6.109 1.00 1.32 H new ATOM 0 HG12 VAL A 71 -9.624 0.850 5.099 1.00 1.32 H new ATOM 0 HG13 VAL A 71 -10.411 1.317 6.625 1.00 1.32 H new ATOM 0 HG21 VAL A 71 -7.781 1.573 8.235 1.00 33.43 H new ATOM 0 HG22 VAL A 71 -9.212 0.718 8.858 1.00 33.43 H new ATOM 0 HG23 VAL A 71 -7.645 -0.120 8.768 1.00 33.43 H new ATOM 1142 N LEU A 72 -10.728 -2.338 5.231 1.00 55.24 N ATOM 1143 CA LEU A 72 -11.051 -2.923 3.921 1.00 23.14 C ATOM 1144 C LEU A 72 -11.645 -1.878 2.963 1.00 25.40 C ATOM 1145 O LEU A 72 -12.255 -2.222 1.948 1.00 31.42 O ATOM 1146 CB LEU A 72 -12.034 -4.090 4.104 1.00 11.11 C ATOM 1147 CG LEU A 72 -11.549 -5.218 5.032 1.00 51.11 C ATOM 1148 CD1 LEU A 72 -12.609 -6.309 5.163 1.00 15.21 C ATOM 1149 CD2 LEU A 72 -10.230 -5.801 4.535 1.00 70.24 C ATOM 0 H LEU A 72 -11.474 -2.424 5.921 1.00 55.24 H new ATOM 0 HA LEU A 72 -10.125 -3.288 3.477 1.00 23.14 H new ATOM 0 HB2 LEU A 72 -12.971 -3.696 4.497 1.00 11.11 H new ATOM 0 HB3 LEU A 72 -12.253 -4.516 3.125 1.00 11.11 H new ATOM 0 HG LEU A 72 -11.379 -4.791 6.021 1.00 51.11 H new ATOM 0 HD11 LEU A 72 -12.243 -7.095 5.824 1.00 15.21 H new ATOM 0 HD12 LEU A 72 -13.522 -5.882 5.579 1.00 15.21 H new ATOM 0 HD13 LEU A 72 -12.821 -6.731 4.180 1.00 15.21 H new ATOM 0 HD21 LEU A 72 -9.908 -6.596 5.207 1.00 70.24 H new ATOM 0 HD22 LEU A 72 -10.366 -6.206 3.532 1.00 70.24 H new ATOM 0 HD23 LEU A 72 -9.472 -5.018 4.510 1.00 70.24 H new ATOM 1161 N LEU A 73 -11.453 -0.604 3.286 1.00 42.33 N ATOM 1162 CA LEU A 73 -11.976 0.495 2.468 1.00 14.20 C ATOM 1163 C LEU A 73 -11.154 0.676 1.179 1.00 51.45 C ATOM 1164 O LEU A 73 -9.945 0.921 1.234 1.00 54.35 O ATOM 1165 CB LEU A 73 -11.975 1.800 3.280 1.00 4.13 C ATOM 1166 CG LEU A 73 -12.833 1.785 4.559 1.00 43.31 C ATOM 1167 CD1 LEU A 73 -12.701 3.107 5.313 1.00 61.35 C ATOM 1168 CD2 LEU A 73 -14.297 1.498 4.225 1.00 71.22 C ATOM 0 H LEU A 73 -10.937 -0.301 4.112 1.00 42.33 H new ATOM 0 HA LEU A 73 -12.998 0.246 2.183 1.00 14.20 H new ATOM 0 HB2 LEU A 73 -10.947 2.035 3.556 1.00 4.13 H new ATOM 0 HB3 LEU A 73 -12.326 2.608 2.637 1.00 4.13 H new ATOM 0 HG LEU A 73 -12.468 0.986 5.204 1.00 43.31 H new ATOM 0 HD11 LEU A 73 -13.315 3.075 6.213 1.00 61.35 H new ATOM 0 HD12 LEU A 73 -11.659 3.265 5.590 1.00 61.35 H new ATOM 0 HD13 LEU A 73 -13.035 3.925 4.675 1.00 61.35 H new ATOM 0 HD21 LEU A 73 -14.885 1.492 5.143 1.00 71.22 H new ATOM 0 HD22 LEU A 73 -14.676 2.271 3.556 1.00 71.22 H new ATOM 0 HD23 LEU A 73 -14.375 0.526 3.738 1.00 71.22 H new ATOM 1180 N PRO A 74 -11.799 0.579 -0.002 1.00 44.20 N ATOM 1181 CA PRO A 74 -11.111 0.727 -1.302 1.00 2.31 C ATOM 1182 C PRO A 74 -10.394 2.082 -1.449 1.00 5.20 C ATOM 1183 O PRO A 74 -9.430 2.209 -2.209 1.00 10.51 O ATOM 1184 CB PRO A 74 -12.248 0.593 -2.334 1.00 62.41 C ATOM 1185 CG PRO A 74 -13.507 0.828 -1.565 1.00 21.00 C ATOM 1186 CD PRO A 74 -13.239 0.321 -0.174 1.00 0.54 C ATOM 0 HA PRO A 74 -10.322 -0.015 -1.424 1.00 2.31 H new ATOM 0 HB2 PRO A 74 -12.137 1.320 -3.139 1.00 62.41 H new ATOM 0 HB3 PRO A 74 -12.247 -0.395 -2.795 1.00 62.41 H new ATOM 0 HG2 PRO A 74 -13.765 1.887 -1.552 1.00 21.00 H new ATOM 0 HG3 PRO A 74 -14.346 0.301 -2.018 1.00 21.00 H new ATOM 0 HD2 PRO A 74 -13.836 0.848 0.570 1.00 0.54 H new ATOM 0 HD3 PRO A 74 -13.474 -0.739 -0.078 1.00 0.54 H new ATOM 1194 N GLU A 75 -10.866 3.089 -0.715 1.00 31.31 N ATOM 1195 CA GLU A 75 -10.235 4.415 -0.724 1.00 5.13 C ATOM 1196 C GLU A 75 -8.779 4.358 -0.226 1.00 52.32 C ATOM 1197 O GLU A 75 -7.954 5.185 -0.607 1.00 71.45 O ATOM 1198 CB GLU A 75 -11.055 5.395 0.129 1.00 73.54 C ATOM 1199 CG GLU A 75 -11.176 4.987 1.595 1.00 51.22 C ATOM 1200 CD GLU A 75 -12.148 5.868 2.364 1.00 55.25 C ATOM 1201 OE1 GLU A 75 -11.719 6.898 2.918 1.00 43.13 O ATOM 1202 OE2 GLU A 75 -13.353 5.535 2.412 1.00 22.11 O ATOM 0 H GLU A 75 -11.681 3.016 -0.107 1.00 31.31 H new ATOM 0 HA GLU A 75 -10.214 4.767 -1.755 1.00 5.13 H new ATOM 0 HB2 GLU A 75 -10.596 6.382 0.073 1.00 73.54 H new ATOM 0 HB3 GLU A 75 -12.054 5.484 -0.297 1.00 73.54 H new ATOM 0 HG2 GLU A 75 -11.505 3.950 1.655 1.00 51.22 H new ATOM 0 HG3 GLU A 75 -10.194 5.037 2.065 1.00 51.22 H new ATOM 1209 N GLU A 76 -8.465 3.374 0.615 1.00 53.20 N ATOM 1210 CA GLU A 76 -7.097 3.190 1.119 1.00 0.11 C ATOM 1211 C GLU A 76 -6.397 2.009 0.426 1.00 0.44 C ATOM 1212 O GLU A 76 -5.453 1.432 0.965 1.00 74.55 O ATOM 1213 CB GLU A 76 -7.111 2.973 2.641 1.00 52.22 C ATOM 1214 CG GLU A 76 -7.611 4.179 3.436 1.00 52.51 C ATOM 1215 CD GLU A 76 -6.824 5.455 3.146 1.00 32.15 C ATOM 1216 OE1 GLU A 76 -5.640 5.541 3.540 1.00 61.35 O ATOM 1217 OE2 GLU A 76 -7.385 6.379 2.517 1.00 23.21 O ATOM 0 H GLU A 76 -9.136 2.690 0.964 1.00 53.20 H new ATOM 0 HA GLU A 76 -6.536 4.097 0.892 1.00 0.11 H new ATOM 0 HB2 GLU A 76 -7.741 2.114 2.869 1.00 52.22 H new ATOM 0 HB3 GLU A 76 -6.102 2.726 2.972 1.00 52.22 H new ATOM 0 HG2 GLU A 76 -8.663 4.348 3.206 1.00 52.51 H new ATOM 0 HG3 GLU A 76 -7.550 3.955 4.501 1.00 52.51 H new ATOM 1224 N ALA A 77 -6.851 1.667 -0.779 1.00 12.43 N ATOM 1225 CA ALA A 77 -6.240 0.585 -1.560 1.00 34.44 C ATOM 1226 C ALA A 77 -5.134 1.116 -2.490 1.00 25.44 C ATOM 1227 O ALA A 77 -5.402 1.867 -3.432 1.00 35.12 O ATOM 1228 CB ALA A 77 -7.305 -0.148 -2.370 1.00 11.40 C ATOM 0 H ALA A 77 -7.640 2.122 -1.238 1.00 12.43 H new ATOM 0 HA ALA A 77 -5.781 -0.113 -0.860 1.00 34.44 H new ATOM 0 HB1 ALA A 77 -6.838 -0.948 -2.945 1.00 11.40 H new ATOM 0 HB2 ALA A 77 -8.048 -0.572 -1.695 1.00 11.40 H new ATOM 0 HB3 ALA A 77 -7.791 0.552 -3.050 1.00 11.40 H new ATOM 1234 N ILE A 78 -3.892 0.725 -2.211 1.00 3.14 N ATOM 1235 CA ILE A 78 -2.737 1.131 -3.027 1.00 23.34 C ATOM 1236 C ILE A 78 -2.438 0.098 -4.134 1.00 53.41 C ATOM 1237 O ILE A 78 -2.482 -1.108 -3.895 1.00 45.54 O ATOM 1238 CB ILE A 78 -1.456 1.323 -2.157 1.00 14.50 C ATOM 1239 CG1 ILE A 78 -1.629 2.481 -1.153 1.00 24.43 C ATOM 1240 CG2 ILE A 78 -0.228 1.565 -3.040 1.00 40.55 C ATOM 1241 CD1 ILE A 78 -2.578 2.187 -0.007 1.00 12.43 C ATOM 0 H ILE A 78 -3.653 0.124 -1.422 1.00 3.14 H new ATOM 0 HA ILE A 78 -3.003 2.084 -3.485 1.00 23.34 H new ATOM 0 HB ILE A 78 -1.302 0.404 -1.592 1.00 14.50 H new ATOM 0 HG12 ILE A 78 -0.652 2.737 -0.742 1.00 24.43 H new ATOM 0 HG13 ILE A 78 -1.989 3.359 -1.690 1.00 24.43 H new ATOM 0 HG21 ILE A 78 0.652 1.696 -2.411 1.00 40.55 H new ATOM 0 HG22 ILE A 78 -0.079 0.709 -3.699 1.00 40.55 H new ATOM 0 HG23 ILE A 78 -0.382 2.462 -3.640 1.00 40.55 H new ATOM 0 HD11 ILE A 78 -2.638 3.056 0.648 1.00 12.43 H new ATOM 0 HD12 ILE A 78 -3.568 1.962 -0.403 1.00 12.43 H new ATOM 0 HD13 ILE A 78 -2.211 1.331 0.559 1.00 12.43 H new ATOM 1253 N ALA A 79 -2.133 0.578 -5.340 1.00 30.10 N ATOM 1254 CA ALA A 79 -1.782 -0.302 -6.462 1.00 1.22 C ATOM 1255 C ALA A 79 -0.260 -0.521 -6.549 1.00 44.54 C ATOM 1256 O ALA A 79 0.498 0.422 -6.792 1.00 72.05 O ATOM 1257 CB ALA A 79 -2.310 0.278 -7.769 1.00 11.21 C ATOM 0 H ALA A 79 -2.121 1.572 -5.568 1.00 30.10 H new ATOM 0 HA ALA A 79 -2.248 -1.272 -6.288 1.00 1.22 H new ATOM 0 HB1 ALA A 79 -2.044 -0.383 -8.594 1.00 11.21 H new ATOM 0 HB2 ALA A 79 -3.395 0.371 -7.714 1.00 11.21 H new ATOM 0 HB3 ALA A 79 -1.870 1.261 -7.935 1.00 11.21 H new ATOM 1263 N THR A 80 0.178 -1.771 -6.373 1.00 50.24 N ATOM 1264 CA THR A 80 1.616 -2.115 -6.382 1.00 12.41 C ATOM 1265 C THR A 80 2.315 -1.661 -7.671 1.00 65.15 C ATOM 1266 O THR A 80 3.454 -1.190 -7.641 1.00 23.34 O ATOM 1267 CB THR A 80 1.835 -3.640 -6.230 1.00 0.04 C ATOM 1268 OG1 THR A 80 1.200 -4.337 -7.318 1.00 22.51 O ATOM 1269 CG2 THR A 80 1.279 -4.150 -4.902 1.00 23.44 C ATOM 0 H THR A 80 -0.439 -2.569 -6.222 1.00 50.24 H new ATOM 0 HA THR A 80 2.050 -1.588 -5.533 1.00 12.41 H new ATOM 0 HB THR A 80 2.908 -3.829 -6.248 1.00 0.04 H new ATOM 0 HG1 THR A 80 0.862 -5.201 -7.001 1.00 22.51 H new ATOM 0 HG21 THR A 80 1.448 -5.224 -4.825 1.00 23.44 H new ATOM 0 HG22 THR A 80 1.782 -3.644 -4.078 1.00 23.44 H new ATOM 0 HG23 THR A 80 0.209 -3.947 -4.853 1.00 23.44 H new ATOM 1277 N ILE A 81 1.619 -1.789 -8.796 1.00 52.03 N ATOM 1278 CA ILE A 81 2.173 -1.427 -10.106 1.00 63.21 C ATOM 1279 C ILE A 81 2.556 0.068 -10.193 1.00 63.44 C ATOM 1280 O ILE A 81 3.374 0.463 -11.028 1.00 62.53 O ATOM 1281 CB ILE A 81 1.163 -1.778 -11.236 1.00 71.24 C ATOM 1282 CG1 ILE A 81 1.756 -1.495 -12.630 1.00 43.10 C ATOM 1283 CG2 ILE A 81 -0.147 -1.017 -11.045 1.00 44.42 C ATOM 1284 CD1 ILE A 81 2.970 -2.340 -12.967 1.00 65.51 C ATOM 0 H ILE A 81 0.663 -2.143 -8.831 1.00 52.03 H new ATOM 0 HA ILE A 81 3.087 -2.007 -10.235 1.00 63.21 H new ATOM 0 HB ILE A 81 0.956 -2.846 -11.173 1.00 71.24 H new ATOM 0 HG12 ILE A 81 0.986 -1.667 -13.383 1.00 43.10 H new ATOM 0 HG13 ILE A 81 2.031 -0.442 -12.690 1.00 43.10 H new ATOM 0 HG21 ILE A 81 -0.839 -1.277 -11.846 1.00 44.42 H new ATOM 0 HG22 ILE A 81 -0.587 -1.285 -10.084 1.00 44.42 H new ATOM 0 HG23 ILE A 81 0.048 0.055 -11.068 1.00 44.42 H new ATOM 0 HD11 ILE A 81 3.328 -2.081 -13.964 1.00 65.51 H new ATOM 0 HD12 ILE A 81 3.758 -2.152 -12.238 1.00 65.51 H new ATOM 0 HD13 ILE A 81 2.697 -3.395 -12.942 1.00 65.51 H new ATOM 1296 N GLN A 82 1.978 0.895 -9.323 1.00 42.23 N ATOM 1297 CA GLN A 82 2.223 2.345 -9.345 1.00 74.14 C ATOM 1298 C GLN A 82 3.313 2.773 -8.344 1.00 13.35 C ATOM 1299 O GLN A 82 3.530 3.966 -8.126 1.00 12.34 O ATOM 1300 CB GLN A 82 0.916 3.093 -9.050 1.00 2.24 C ATOM 1301 CG GLN A 82 -0.172 2.870 -10.097 1.00 71.13 C ATOM 1302 CD GLN A 82 0.217 3.399 -11.468 1.00 14.34 C ATOM 1303 OE1 GLN A 82 -0.049 4.543 -11.802 1.00 4.45 O ATOM 1304 NE2 GLN A 82 0.854 2.570 -12.271 1.00 22.35 N ATOM 0 H GLN A 82 1.336 0.590 -8.592 1.00 42.23 H new ATOM 0 HA GLN A 82 2.584 2.601 -10.341 1.00 74.14 H new ATOM 0 HB2 GLN A 82 0.540 2.778 -8.076 1.00 2.24 H new ATOM 0 HB3 GLN A 82 1.127 4.160 -8.980 1.00 2.24 H new ATOM 0 HG2 GLN A 82 -0.387 1.804 -10.171 1.00 71.13 H new ATOM 0 HG3 GLN A 82 -1.090 3.358 -9.771 1.00 71.13 H new ATOM 0 HE21 GLN A 82 1.062 1.620 -11.963 1.00 22.35 H new ATOM 0 HE22 GLN A 82 1.139 2.878 -13.200 1.00 22.35 H new ATOM 1313 N ILE A 83 4.007 1.804 -7.748 1.00 50.33 N ATOM 1314 CA ILE A 83 5.057 2.094 -6.765 1.00 31.11 C ATOM 1315 C ILE A 83 6.461 2.058 -7.404 1.00 14.33 C ATOM 1316 O ILE A 83 6.936 1.002 -7.830 1.00 33.12 O ATOM 1317 CB ILE A 83 5.001 1.094 -5.580 1.00 43.21 C ATOM 1318 CG1 ILE A 83 3.618 1.128 -4.903 1.00 70.23 C ATOM 1319 CG2 ILE A 83 6.104 1.387 -4.562 1.00 14.35 C ATOM 1320 CD1 ILE A 83 3.236 2.486 -4.348 1.00 52.24 C ATOM 0 H ILE A 83 3.863 0.810 -7.927 1.00 50.33 H new ATOM 0 HA ILE A 83 4.873 3.102 -6.392 1.00 31.11 H new ATOM 0 HB ILE A 83 5.165 0.093 -5.978 1.00 43.21 H new ATOM 0 HG12 ILE A 83 2.864 0.817 -5.626 1.00 70.23 H new ATOM 0 HG13 ILE A 83 3.603 0.399 -4.093 1.00 70.23 H new ATOM 0 HG21 ILE A 83 6.042 0.672 -3.742 1.00 14.35 H new ATOM 0 HG22 ILE A 83 7.077 1.301 -5.045 1.00 14.35 H new ATOM 0 HG23 ILE A 83 5.980 2.397 -4.172 1.00 14.35 H new ATOM 0 HD11 ILE A 83 2.250 2.427 -3.888 1.00 52.24 H new ATOM 0 HD12 ILE A 83 3.967 2.792 -3.600 1.00 52.24 H new ATOM 0 HD13 ILE A 83 3.216 3.217 -5.156 1.00 52.24 H new ATOM 1332 N ALA A 84 7.122 3.218 -7.451 1.00 23.31 N ATOM 1333 CA ALA A 84 8.455 3.343 -8.075 1.00 44.34 C ATOM 1334 C ALA A 84 9.552 2.554 -7.329 1.00 15.53 C ATOM 1335 O ALA A 84 10.677 2.429 -7.813 1.00 65.31 O ATOM 1336 CB ALA A 84 8.848 4.814 -8.168 1.00 60.12 C ATOM 0 H ALA A 84 6.760 4.090 -7.065 1.00 23.31 H new ATOM 0 HA ALA A 84 8.377 2.908 -9.072 1.00 44.34 H new ATOM 0 HB1 ALA A 84 9.832 4.899 -8.629 1.00 60.12 H new ATOM 0 HB2 ALA A 84 8.116 5.349 -8.773 1.00 60.12 H new ATOM 0 HB3 ALA A 84 8.877 5.247 -7.168 1.00 60.12 H new ATOM 1342 N ASN A 85 9.226 2.042 -6.144 1.00 32.34 N ATOM 1343 CA ASN A 85 10.178 1.241 -5.359 1.00 4.52 C ATOM 1344 C ASN A 85 10.189 -0.231 -5.798 1.00 43.40 C ATOM 1345 O ASN A 85 11.183 -0.932 -5.605 1.00 32.41 O ATOM 1346 CB ASN A 85 9.860 1.349 -3.864 1.00 20.02 C ATOM 1347 CG ASN A 85 10.184 2.723 -3.315 1.00 63.04 C ATOM 1348 OD1 ASN A 85 9.243 3.638 -3.401 1.00 14.13 O flip ATOM 1349 ND2 ASN A 85 11.278 2.966 -2.824 1.00 33.42 N flip ATOM 0 H ASN A 85 8.314 2.164 -5.703 1.00 32.34 H new ATOM 0 HA ASN A 85 11.174 1.644 -5.543 1.00 4.52 H new ATOM 0 HB2 ASN A 85 8.804 1.133 -3.701 1.00 20.02 H new ATOM 0 HB3 ASN A 85 10.428 0.596 -3.317 1.00 20.02 H new ATOM 0 HD21 ASN A 85 11.987 2.235 -2.772 1.00 33.42 H new ATOM 0 HD22 ASN A 85 11.481 3.900 -2.467 1.00 33.42 H new ATOM 1356 N PHE A 86 9.088 -0.696 -6.392 1.00 14.12 N ATOM 1357 CA PHE A 86 9.005 -2.071 -6.901 1.00 71.04 C ATOM 1358 C PHE A 86 9.743 -2.211 -8.248 1.00 42.02 C ATOM 1359 O PHE A 86 9.324 -1.636 -9.255 1.00 63.10 O ATOM 1360 CB PHE A 86 7.535 -2.508 -7.053 1.00 23.34 C ATOM 1361 CG PHE A 86 6.894 -2.961 -5.762 1.00 44.11 C ATOM 1362 CD1 PHE A 86 6.427 -2.041 -4.839 1.00 64.05 C ATOM 1363 CD2 PHE A 86 6.755 -4.315 -5.477 1.00 54.54 C ATOM 1364 CE1 PHE A 86 5.839 -2.454 -3.658 1.00 13.02 C ATOM 1365 CE2 PHE A 86 6.167 -4.734 -4.297 1.00 22.03 C ATOM 1366 CZ PHE A 86 5.707 -3.801 -3.387 1.00 30.40 C ATOM 0 H PHE A 86 8.242 -0.144 -6.533 1.00 14.12 H new ATOM 0 HA PHE A 86 9.491 -2.723 -6.175 1.00 71.04 H new ATOM 0 HB2 PHE A 86 6.960 -1.677 -7.461 1.00 23.34 H new ATOM 0 HB3 PHE A 86 7.481 -3.320 -7.778 1.00 23.34 H new ATOM 0 HD1 PHE A 86 6.523 -0.985 -5.045 1.00 64.05 H new ATOM 0 HD2 PHE A 86 7.110 -5.048 -6.186 1.00 54.54 H new ATOM 0 HE1 PHE A 86 5.483 -1.723 -2.947 1.00 13.02 H new ATOM 0 HE2 PHE A 86 6.068 -5.789 -4.087 1.00 22.03 H new ATOM 0 HZ PHE A 86 5.245 -4.125 -2.466 1.00 30.40 H new ATOM 1376 N PRO A 87 10.848 -2.983 -8.281 1.00 51.51 N ATOM 1377 CA PRO A 87 11.666 -3.149 -9.499 1.00 50.44 C ATOM 1378 C PRO A 87 11.014 -4.050 -10.571 1.00 54.03 C ATOM 1379 O PRO A 87 10.079 -4.806 -10.292 1.00 21.50 O ATOM 1380 CB PRO A 87 12.950 -3.790 -8.959 1.00 23.42 C ATOM 1381 CG PRO A 87 12.506 -4.558 -7.759 1.00 61.53 C ATOM 1382 CD PRO A 87 11.393 -3.750 -7.141 1.00 41.13 C ATOM 0 HA PRO A 87 11.814 -2.200 -10.015 1.00 50.44 H new ATOM 0 HB2 PRO A 87 13.410 -4.443 -9.701 1.00 23.42 H new ATOM 0 HB3 PRO A 87 13.691 -3.035 -8.696 1.00 23.42 H new ATOM 0 HG2 PRO A 87 12.158 -5.553 -8.038 1.00 61.53 H new ATOM 0 HG3 PRO A 87 13.328 -4.693 -7.056 1.00 61.53 H new ATOM 0 HD2 PRO A 87 10.635 -4.390 -6.689 1.00 41.13 H new ATOM 0 HD3 PRO A 87 11.764 -3.092 -6.355 1.00 41.13 H new ATOM 1390 N ASP A 88 11.541 -3.983 -11.795 1.00 72.34 N ATOM 1391 CA ASP A 88 11.012 -4.753 -12.932 1.00 32.22 C ATOM 1392 C ASP A 88 11.474 -6.225 -12.914 1.00 33.02 C ATOM 1393 O ASP A 88 11.531 -6.881 -13.957 1.00 5.50 O ATOM 1394 CB ASP A 88 11.454 -4.091 -14.240 1.00 31.01 C ATOM 1395 CG ASP A 88 10.933 -2.674 -14.380 1.00 73.13 C ATOM 1396 OD1 ASP A 88 11.596 -1.742 -13.883 1.00 41.55 O ATOM 1397 OD2 ASP A 88 9.850 -2.486 -14.978 1.00 50.53 O ATOM 0 H ASP A 88 12.343 -3.398 -12.030 1.00 72.34 H new ATOM 0 HA ASP A 88 9.925 -4.755 -12.852 1.00 32.22 H new ATOM 0 HB2 ASP A 88 12.543 -4.080 -14.288 1.00 31.01 H new ATOM 0 HB3 ASP A 88 11.104 -4.688 -15.082 1.00 31.01 H new ATOM 1402 N LYS A 89 11.800 -6.740 -11.731 1.00 5.31 N ATOM 1403 CA LYS A 89 12.198 -8.144 -11.580 1.00 60.44 C ATOM 1404 C LYS A 89 11.033 -9.083 -11.934 1.00 23.52 C ATOM 1405 O LYS A 89 9.903 -8.892 -11.476 1.00 51.53 O ATOM 1406 CB LYS A 89 12.692 -8.412 -10.150 1.00 61.53 C ATOM 1407 CG LYS A 89 13.870 -7.539 -9.696 1.00 32.12 C ATOM 1408 CD LYS A 89 15.173 -7.832 -10.455 1.00 73.52 C ATOM 1409 CE LYS A 89 15.245 -7.124 -11.809 1.00 65.35 C ATOM 1410 NZ LYS A 89 16.548 -7.352 -12.487 1.00 22.52 N ATOM 0 H LYS A 89 11.797 -6.209 -10.860 1.00 5.31 H new ATOM 0 HA LYS A 89 13.017 -8.343 -12.272 1.00 60.44 H new ATOM 0 HB2 LYS A 89 11.861 -8.262 -9.461 1.00 61.53 H new ATOM 0 HB3 LYS A 89 12.985 -9.459 -10.073 1.00 61.53 H new ATOM 0 HG2 LYS A 89 13.608 -6.489 -9.830 1.00 32.12 H new ATOM 0 HG3 LYS A 89 14.037 -7.692 -8.630 1.00 32.12 H new ATOM 0 HD2 LYS A 89 16.021 -7.523 -9.844 1.00 73.52 H new ATOM 0 HD3 LYS A 89 15.265 -8.907 -10.608 1.00 73.52 H new ATOM 0 HE2 LYS A 89 14.437 -7.480 -12.448 1.00 65.35 H new ATOM 0 HE3 LYS A 89 15.092 -6.054 -11.667 1.00 65.35 H new ATOM 0 HZ1 LYS A 89 16.555 -6.855 -13.401 1.00 22.52 H new ATOM 0 HZ2 LYS A 89 17.318 -6.990 -11.890 1.00 22.52 H new ATOM 0 HZ3 LYS A 89 16.683 -8.371 -12.646 1.00 22.52 H new ATOM 1424 N LEU A 90 11.321 -10.100 -12.744 1.00 34.13 N ATOM 1425 CA LEU A 90 10.282 -10.966 -13.317 1.00 4.34 C ATOM 1426 C LEU A 90 9.756 -12.013 -12.320 1.00 52.41 C ATOM 1427 O LEU A 90 10.500 -12.548 -11.491 1.00 35.21 O ATOM 1428 CB LEU A 90 10.804 -11.677 -14.581 1.00 20.40 C ATOM 1429 CG LEU A 90 10.979 -10.791 -15.829 1.00 2.03 C ATOM 1430 CD1 LEU A 90 12.040 -9.721 -15.607 1.00 31.15 C ATOM 1431 CD2 LEU A 90 11.324 -11.643 -17.049 1.00 12.15 C ATOM 0 H LEU A 90 12.270 -10.349 -13.022 1.00 34.13 H new ATOM 0 HA LEU A 90 9.449 -10.312 -13.575 1.00 4.34 H new ATOM 0 HB2 LEU A 90 11.765 -12.134 -14.346 1.00 20.40 H new ATOM 0 HB3 LEU A 90 10.118 -12.487 -14.828 1.00 20.40 H new ATOM 0 HG LEU A 90 10.031 -10.286 -16.013 1.00 2.03 H new ATOM 0 HD11 LEU A 90 12.138 -9.114 -16.507 1.00 31.15 H new ATOM 0 HD12 LEU A 90 11.747 -9.086 -14.771 1.00 31.15 H new ATOM 0 HD13 LEU A 90 12.995 -10.196 -15.384 1.00 31.15 H new ATOM 0 HD21 LEU A 90 11.444 -10.999 -17.920 1.00 12.15 H new ATOM 0 HD22 LEU A 90 12.254 -12.182 -16.865 1.00 12.15 H new ATOM 0 HD23 LEU A 90 10.521 -12.357 -17.233 1.00 12.15 H new ATOM 1443 N GLU A 91 8.458 -12.294 -12.417 1.00 22.24 N ATOM 1444 CA GLU A 91 7.815 -13.350 -11.633 1.00 20.02 C ATOM 1445 C GLU A 91 8.130 -14.739 -12.217 1.00 41.32 C ATOM 1446 O GLU A 91 8.096 -14.937 -13.432 1.00 71.05 O ATOM 1447 CB GLU A 91 6.294 -13.104 -11.596 1.00 53.23 C ATOM 1448 CG GLU A 91 5.461 -14.265 -11.050 1.00 54.33 C ATOM 1449 CD GLU A 91 5.765 -14.620 -9.600 1.00 61.20 C ATOM 1450 OE1 GLU A 91 5.145 -14.033 -8.694 1.00 44.13 O ATOM 1451 OE2 GLU A 91 6.606 -15.515 -9.364 1.00 32.25 O ATOM 0 H GLU A 91 7.822 -11.797 -13.040 1.00 22.24 H new ATOM 0 HA GLU A 91 8.207 -13.326 -10.616 1.00 20.02 H new ATOM 0 HB2 GLU A 91 6.099 -12.220 -10.988 1.00 53.23 H new ATOM 0 HB3 GLU A 91 5.954 -12.877 -12.606 1.00 53.23 H new ATOM 0 HG2 GLU A 91 4.404 -14.013 -11.137 1.00 54.33 H new ATOM 0 HG3 GLU A 91 5.631 -15.144 -11.672 1.00 54.33 H new ATOM 1458 N HIS A 92 8.443 -15.696 -11.344 1.00 34.32 N ATOM 1459 CA HIS A 92 8.762 -17.061 -11.773 1.00 14.21 C ATOM 1460 C HIS A 92 7.505 -17.772 -12.298 1.00 52.04 C ATOM 1461 O HIS A 92 7.571 -18.585 -13.222 1.00 63.23 O ATOM 1462 CB HIS A 92 9.371 -17.851 -10.607 1.00 3.21 C ATOM 1463 CG HIS A 92 10.565 -17.180 -9.989 1.00 62.24 C ATOM 1464 ND1 HIS A 92 10.550 -16.627 -8.724 1.00 72.54 N ATOM 1465 CD2 HIS A 92 11.822 -16.982 -10.462 1.00 43.35 C ATOM 1466 CE1 HIS A 92 11.735 -16.118 -8.449 1.00 43.52 C ATOM 1467 NE2 HIS A 92 12.524 -16.319 -9.483 1.00 3.54 N ATOM 0 H HIS A 92 8.483 -15.553 -10.335 1.00 34.32 H new ATOM 0 HA HIS A 92 9.490 -17.008 -12.583 1.00 14.21 H new ATOM 0 HB2 HIS A 92 8.610 -17.998 -9.841 1.00 3.21 H new ATOM 0 HB3 HIS A 92 9.662 -18.840 -10.961 1.00 3.21 H new ATOM 0 HD2 HIS A 92 12.200 -17.288 -11.426 1.00 43.35 H new ATOM 0 HE1 HIS A 92 12.011 -15.621 -7.531 1.00 43.52 H new ATOM 0 HE2 HIS A 92 13.500 -16.029 -9.548 1.00 3.54 H new ATOM 1476 N HIS A 93 6.362 -17.457 -11.697 1.00 52.24 N ATOM 1477 CA HIS A 93 5.074 -17.998 -12.144 1.00 23.24 C ATOM 1478 C HIS A 93 4.618 -17.297 -13.438 1.00 32.24 C ATOM 1479 O HIS A 93 4.094 -16.180 -13.407 1.00 72.40 O ATOM 1480 CB HIS A 93 4.030 -17.841 -11.032 1.00 5.02 C ATOM 1481 CG HIS A 93 4.452 -18.469 -9.735 1.00 11.35 C ATOM 1482 ND1 HIS A 93 5.059 -17.762 -8.715 1.00 65.02 N ATOM 1483 CD2 HIS A 93 4.369 -19.750 -9.294 1.00 10.21 C ATOM 1484 CE1 HIS A 93 5.329 -18.574 -7.714 1.00 22.05 C ATOM 1485 NE2 HIS A 93 4.922 -19.783 -8.036 1.00 33.34 N ATOM 0 H HIS A 93 6.297 -16.828 -10.896 1.00 52.24 H new ATOM 0 HA HIS A 93 5.187 -19.060 -12.362 1.00 23.24 H new ATOM 0 HB2 HIS A 93 3.838 -16.780 -10.870 1.00 5.02 H new ATOM 0 HB3 HIS A 93 3.091 -18.289 -11.357 1.00 5.02 H new ATOM 0 HD1 HIS A 93 5.266 -16.763 -8.734 1.00 65.02 H new ATOM 0 HD2 HIS A 93 3.947 -20.587 -9.831 1.00 10.21 H new ATOM 0 HE1 HIS A 93 5.804 -18.295 -6.785 1.00 22.05 H new ATOM 1494 N HIS A 94 4.829 -17.962 -14.574 1.00 23.32 N ATOM 1495 CA HIS A 94 4.627 -17.348 -15.896 1.00 22.41 C ATOM 1496 C HIS A 94 3.148 -17.068 -16.229 1.00 12.13 C ATOM 1497 O HIS A 94 2.400 -17.967 -16.606 1.00 72.44 O ATOM 1498 CB HIS A 94 5.252 -18.233 -16.985 1.00 51.32 C ATOM 1499 CG HIS A 94 6.751 -18.236 -16.962 1.00 11.23 C ATOM 1500 ND1 HIS A 94 7.500 -19.183 -16.298 1.00 60.44 N ATOM 1501 CD2 HIS A 94 7.642 -17.401 -17.543 1.00 25.31 C ATOM 1502 CE1 HIS A 94 8.781 -18.929 -16.471 1.00 32.01 C ATOM 1503 NE2 HIS A 94 8.897 -17.856 -17.225 1.00 65.41 N ATOM 0 H HIS A 94 5.142 -18.932 -14.610 1.00 23.32 H new ATOM 0 HA HIS A 94 5.123 -16.378 -15.864 1.00 22.41 H new ATOM 0 HB2 HIS A 94 4.892 -19.255 -16.863 1.00 51.32 H new ATOM 0 HB3 HIS A 94 4.912 -17.889 -17.962 1.00 51.32 H new ATOM 0 HD2 HIS A 94 7.409 -16.536 -18.146 1.00 25.31 H new ATOM 0 HE1 HIS A 94 9.599 -19.504 -16.063 1.00 32.01 H new ATOM 0 HE2 HIS A 94 9.775 -17.432 -17.524 1.00 65.41 H new ATOM 1512 N HIS A 95 2.743 -15.807 -16.072 1.00 61.04 N ATOM 1513 CA HIS A 95 1.440 -15.331 -16.557 1.00 73.20 C ATOM 1514 C HIS A 95 1.651 -14.221 -17.602 1.00 41.13 C ATOM 1515 O HIS A 95 2.145 -13.139 -17.277 1.00 72.21 O ATOM 1516 CB HIS A 95 0.589 -14.808 -15.393 1.00 1.12 C ATOM 1517 CG HIS A 95 -0.748 -14.274 -15.818 1.00 54.14 C ATOM 1518 ND1 HIS A 95 -0.950 -12.959 -16.185 1.00 50.00 N ATOM 1519 CD2 HIS A 95 -1.955 -14.881 -15.940 1.00 1.21 C ATOM 1520 CE1 HIS A 95 -2.213 -12.781 -16.511 1.00 13.33 C ATOM 1521 NE2 HIS A 95 -2.844 -13.928 -16.373 1.00 21.22 N ATOM 0 H HIS A 95 3.301 -15.089 -15.609 1.00 61.04 H new ATOM 0 HA HIS A 95 0.911 -16.164 -17.020 1.00 73.20 H new ATOM 0 HB2 HIS A 95 0.437 -15.613 -14.674 1.00 1.12 H new ATOM 0 HB3 HIS A 95 1.138 -14.020 -14.878 1.00 1.12 H new ATOM 0 HD2 HIS A 95 -2.175 -15.918 -15.735 1.00 1.21 H new ATOM 0 HE1 HIS A 95 -2.656 -11.852 -16.836 1.00 13.33 H new ATOM 0 HE2 HIS A 95 -3.835 -14.084 -16.558 1.00 21.22 H new ATOM 1530 N HIS A 96 1.262 -14.487 -18.848 1.00 4.32 N ATOM 1531 CA HIS A 96 1.553 -13.571 -19.961 1.00 61.30 C ATOM 1532 C HIS A 96 0.784 -12.243 -19.858 1.00 63.05 C ATOM 1533 O HIS A 96 -0.268 -12.162 -19.223 1.00 14.34 O ATOM 1534 CB HIS A 96 1.240 -14.241 -21.303 1.00 74.11 C ATOM 1535 CG HIS A 96 2.048 -15.476 -21.564 1.00 5.31 C ATOM 1536 ND1 HIS A 96 1.487 -16.690 -21.896 1.00 41.11 N ATOM 1537 CD2 HIS A 96 3.388 -15.677 -21.555 1.00 3.54 C ATOM 1538 CE1 HIS A 96 2.442 -17.581 -22.079 1.00 75.11 C ATOM 1539 NE2 HIS A 96 3.602 -16.992 -21.879 1.00 24.35 N ATOM 0 H HIS A 96 0.746 -15.325 -19.116 1.00 4.32 H new ATOM 0 HA HIS A 96 2.616 -13.339 -19.900 1.00 61.30 H new ATOM 0 HB2 HIS A 96 0.181 -14.498 -21.332 1.00 74.11 H new ATOM 0 HB3 HIS A 96 1.417 -13.526 -22.106 1.00 74.11 H new ATOM 0 HD2 HIS A 96 4.146 -14.940 -21.334 1.00 3.54 H new ATOM 0 HE1 HIS A 96 2.297 -18.617 -22.347 1.00 75.11 H new ATOM 0 HE2 HIS A 96 4.514 -17.442 -21.953 1.00 24.35 H new ATOM 1548 N HIS A 97 1.342 -11.214 -20.493 1.00 25.03 N ATOM 1549 CA HIS A 97 0.735 -9.877 -20.542 1.00 14.04 C ATOM 1550 C HIS A 97 1.497 -8.964 -21.524 1.00 63.40 C ATOM 1551 O HIS A 97 0.938 -8.627 -22.588 1.00 37.60 O ATOM 1552 CB HIS A 97 0.708 -9.235 -19.147 1.00 2.31 C ATOM 1553 CG HIS A 97 0.100 -7.865 -19.136 1.00 41.53 C ATOM 1554 ND1 HIS A 97 0.843 -6.704 -19.028 1.00 3.02 N ATOM 1555 CD2 HIS A 97 -1.190 -7.469 -19.234 1.00 71.34 C ATOM 1556 CE1 HIS A 97 0.039 -5.664 -19.062 1.00 62.11 C ATOM 1557 NE2 HIS A 97 -1.199 -6.097 -19.187 1.00 71.51 N ATOM 1558 OXT HIS A 97 2.659 -8.596 -21.224 1.00 37.60 O ATOM 0 H HIS A 97 2.230 -11.280 -20.991 1.00 25.03 H new ATOM 0 HA HIS A 97 -0.290 -9.992 -20.893 1.00 14.04 H new ATOM 0 HB2 HIS A 97 0.148 -9.879 -18.469 1.00 2.31 H new ATOM 0 HB3 HIS A 97 1.726 -9.176 -18.762 1.00 2.31 H new ATOM 0 HD2 HIS A 97 -2.052 -8.112 -19.331 1.00 71.34 H new ATOM 0 HE1 HIS A 97 0.342 -4.629 -18.998 1.00 62.11 H new ATOM 0 HE2 HIS A 97 -2.030 -5.508 -19.240 1.00 71.51 H new TER 1567 HIS A 97