USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 963 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 82 ASN : amide:sc= 0.153 X(o=-0.51,f=-0.99) USER MOD Set 1.2: A 92 GLN : amide:sc= -0.665 X(o=-0.51,f=-0.23) USER MOD Set 2.1: A 23 TYR OH : rot 180:sc= 0.731 USER MOD Set 2.2: A 47 LYS NZ :NH3+ 136:sc= 0.839 (180deg=-0.0102) USER MOD Set 3.1: A 16 ASN : amide:sc= 0.29 K(o=0.87,f=-0.59!) USER MOD Set 3.2: A 21 THR OG1 : rot -160:sc= 0.578 USER MOD Single : A 1 MET CE :methyl 135:sc= -0.122 (180deg=-1.36) USER MOD Single : A 1 MET N :NH3+ -152:sc= 0.711 (180deg=-0.134) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 137:sc= -0.223 (180deg=-0.874) USER MOD Single : A 14 CYS SG : rot -131:sc= -3.59! USER MOD Single : A 19 LYS NZ :NH3+ 167:sc=-0.00241 (180deg=-0.15) USER MOD Single : A 22 THR OG1 : rot 91:sc= 0.224 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -108:sc= 0.257 USER MOD Single : A 29 LYS NZ :NH3+ -150:sc= 0.638 (180deg=0.319) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 170:sc= -0.0176 (180deg=-0.145) USER MOD Single : A 39 LYS NZ :NH3+ -113:sc= 0.246 (180deg=-0.00467) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -177:sc= -0.168 (180deg=-0.183) USER MOD Single : A 51 GLN : amide:sc= -0.0277 X(o=-0.028,f=-0.06) USER MOD Single : A 53 CYS SG : rot 37:sc= -3.93! USER MOD Single : A 54 LYS NZ :NH3+ -147:sc= -1.51! (180deg=-3.38!) USER MOD Single : A 57 LYS NZ :NH3+ -112:sc= 0.646 (180deg=-0.196) USER MOD Single : A 62 LYS NZ :NH3+ -144:sc= 1.23 (180deg=0.691) USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0308) USER MOD Single : A 71 LYS NZ :NH3+ 169:sc= -0.025 (180deg=-0.144) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -118:sc= -0.0164 (180deg=-0.143) USER MOD Single : A 86 ASN : amide:sc= 0.945 K(o=0.94,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -166:sc= -0.0274 (180deg=-0.242) USER MOD Single : A 93 SER OG : rot 27:sc= -0.0581 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 29:sc= 0.38 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 70:sc= 1.23 USER MOD Single : A 101 THR OG1 : rot 36:sc= 0.0829 USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 113 HIS : no HD1:sc= -0.0865 X(o=-0.087,f=-0.016) USER MOD Single : A 114 HIS : no HD1:sc= -0.23 X(o=-0.23,f=-0.22) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.488 -21.225 2.776 1.00 0.00 N ATOM 2 CA MET A 1 -1.379 -20.808 1.892 1.00 52.33 C ATOM 3 C MET A 1 -0.498 -22.024 1.606 1.00 54.22 C ATOM 4 O MET A 1 0.064 -22.610 2.538 1.00 24.21 O ATOM 5 CB MET A 1 -0.568 -19.651 2.537 1.00 2.03 C ATOM 6 CG MET A 1 -1.400 -18.398 2.848 1.00 72.21 C ATOM 7 SD MET A 1 -0.422 -17.081 3.612 1.00 3.40 S ATOM 8 CE MET A 1 0.731 -16.694 2.294 1.00 3.22 C ATOM 0 H1 MET A 1 -3.313 -20.613 2.611 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.743 -22.212 2.571 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.190 -21.144 3.769 1.00 0.00 H new ATOM 0 HA MET A 1 -1.776 -20.429 0.950 1.00 52.33 H new ATOM 0 HB2 MET A 1 -0.114 -20.011 3.460 1.00 2.03 H new ATOM 0 HB3 MET A 1 0.247 -19.376 1.867 1.00 2.03 H new ATOM 0 HG2 MET A 1 -1.846 -18.025 1.926 1.00 72.21 H new ATOM 0 HG3 MET A 1 -2.221 -18.668 3.513 1.00 72.21 H new ATOM 0 HE1 MET A 1 0.809 -15.612 2.185 1.00 3.22 H new ATOM 0 HE2 MET A 1 1.711 -17.106 2.535 1.00 3.22 H new ATOM 0 HE3 MET A 1 0.375 -17.128 1.360 1.00 3.22 H new ATOM 20 N ALA A 2 -0.394 -22.409 0.323 1.00 52.01 N ATOM 21 CA ALA A 2 0.370 -23.589 -0.113 1.00 22.54 C ATOM 22 C ALA A 2 1.216 -23.227 -1.345 1.00 2.05 C ATOM 23 O ALA A 2 0.726 -23.257 -2.480 1.00 2.01 O ATOM 24 CB ALA A 2 -0.578 -24.772 -0.407 1.00 22.23 C ATOM 0 H ALA A 2 -0.840 -21.907 -0.445 1.00 52.01 H new ATOM 0 HA ALA A 2 1.041 -23.901 0.687 1.00 22.54 H new ATOM 0 HB1 ALA A 2 0.006 -25.635 -0.728 1.00 22.23 H new ATOM 0 HB2 ALA A 2 -1.134 -25.025 0.495 1.00 22.23 H new ATOM 0 HB3 ALA A 2 -1.275 -24.492 -1.196 1.00 22.23 H new ATOM 30 N GLY A 3 2.476 -22.824 -1.094 1.00 51.32 N ATOM 31 CA GLY A 3 3.431 -22.495 -2.159 1.00 3.00 C ATOM 32 C GLY A 3 3.110 -21.188 -2.879 1.00 30.52 C ATOM 33 O GLY A 3 2.330 -20.366 -2.373 1.00 4.45 O ATOM 0 H GLY A 3 2.855 -22.719 -0.153 1.00 51.32 H new ATOM 0 HA2 GLY A 3 4.432 -22.430 -1.732 1.00 3.00 H new ATOM 0 HA3 GLY A 3 3.447 -23.307 -2.886 1.00 3.00 H new ATOM 37 N LYS A 4 3.742 -21.001 -4.057 1.00 1.54 N ATOM 38 CA LYS A 4 3.482 -19.872 -4.983 1.00 70.12 C ATOM 39 C LYS A 4 3.931 -18.499 -4.449 1.00 30.15 C ATOM 40 O LYS A 4 4.231 -18.319 -3.263 1.00 64.23 O ATOM 41 CB LYS A 4 1.997 -19.847 -5.473 1.00 43.10 C ATOM 42 CG LYS A 4 1.711 -20.865 -6.593 1.00 11.52 C ATOM 43 CD LYS A 4 0.226 -20.914 -7.016 1.00 14.54 C ATOM 44 CE LYS A 4 -0.032 -21.943 -8.128 1.00 62.24 C ATOM 45 NZ LYS A 4 -1.480 -22.153 -8.386 1.00 14.41 N ATOM 0 H LYS A 4 4.460 -21.640 -4.399 1.00 1.54 H new ATOM 0 HA LYS A 4 4.117 -20.064 -5.848 1.00 70.12 H new ATOM 0 HB2 LYS A 4 1.339 -20.051 -4.628 1.00 43.10 H new ATOM 0 HB3 LYS A 4 1.756 -18.846 -5.830 1.00 43.10 H new ATOM 0 HG2 LYS A 4 2.320 -20.618 -7.462 1.00 11.52 H new ATOM 0 HG3 LYS A 4 2.019 -21.856 -6.260 1.00 11.52 H new ATOM 0 HD2 LYS A 4 -0.388 -21.158 -6.149 1.00 14.54 H new ATOM 0 HD3 LYS A 4 -0.084 -19.927 -7.359 1.00 14.54 H new ATOM 0 HE2 LYS A 4 0.452 -21.610 -9.046 1.00 62.24 H new ATOM 0 HE3 LYS A 4 0.426 -22.893 -7.852 1.00 62.24 H new ATOM 0 HZ1 LYS A 4 -1.599 -22.855 -9.144 1.00 14.41 H new ATOM 0 HZ2 LYS A 4 -1.941 -22.497 -7.519 1.00 14.41 H new ATOM 0 HZ3 LYS A 4 -1.915 -21.254 -8.676 1.00 14.41 H new ATOM 59 N GLU A 5 3.964 -17.542 -5.386 1.00 62.20 N ATOM 60 CA GLU A 5 4.529 -16.206 -5.196 1.00 73.12 C ATOM 61 C GLU A 5 3.415 -15.141 -5.216 1.00 63.22 C ATOM 62 O GLU A 5 2.735 -14.959 -6.240 1.00 53.40 O ATOM 63 CB GLU A 5 5.548 -15.955 -6.337 1.00 30.32 C ATOM 64 CG GLU A 5 6.800 -16.860 -6.301 1.00 31.43 C ATOM 65 CD GLU A 5 7.654 -16.671 -5.030 1.00 32.13 C ATOM 66 OE1 GLU A 5 8.397 -15.672 -4.941 1.00 25.15 O ATOM 67 OE2 GLU A 5 7.583 -17.515 -4.109 1.00 62.21 O ATOM 0 H GLU A 5 3.587 -17.683 -6.323 1.00 62.20 H new ATOM 0 HA GLU A 5 5.026 -16.140 -4.228 1.00 73.12 H new ATOM 0 HB2 GLU A 5 5.043 -16.096 -7.293 1.00 30.32 H new ATOM 0 HB3 GLU A 5 5.869 -14.914 -6.296 1.00 30.32 H new ATOM 0 HG2 GLU A 5 6.488 -17.902 -6.369 1.00 31.43 H new ATOM 0 HG3 GLU A 5 7.414 -16.653 -7.177 1.00 31.43 H new ATOM 74 N LEU A 6 3.225 -14.459 -4.072 1.00 63.55 N ATOM 75 CA LEU A 6 2.234 -13.374 -3.928 1.00 61.30 C ATOM 76 C LEU A 6 2.857 -12.048 -4.413 1.00 34.34 C ATOM 77 O LEU A 6 3.634 -11.420 -3.686 1.00 2.44 O ATOM 78 CB LEU A 6 1.739 -13.264 -2.451 1.00 13.54 C ATOM 79 CG LEU A 6 0.778 -14.402 -1.947 1.00 23.00 C ATOM 80 CD1 LEU A 6 1.457 -15.784 -1.857 1.00 53.45 C ATOM 81 CD2 LEU A 6 0.121 -14.027 -0.610 1.00 71.45 C ATOM 0 H LEU A 6 3.754 -14.644 -3.220 1.00 63.55 H new ATOM 0 HA LEU A 6 1.362 -13.598 -4.542 1.00 61.30 H new ATOM 0 HB2 LEU A 6 2.612 -13.241 -1.799 1.00 13.54 H new ATOM 0 HB3 LEU A 6 1.228 -12.309 -2.333 1.00 13.54 H new ATOM 0 HG LEU A 6 0.000 -14.492 -2.705 1.00 23.00 H new ATOM 0 HD11 LEU A 6 0.736 -16.521 -1.503 1.00 53.45 H new ATOM 0 HD12 LEU A 6 1.820 -16.076 -2.842 1.00 53.45 H new ATOM 0 HD13 LEU A 6 2.295 -15.733 -1.162 1.00 53.45 H new ATOM 0 HD21 LEU A 6 -0.537 -14.834 -0.289 1.00 71.45 H new ATOM 0 HD22 LEU A 6 0.893 -13.867 0.143 1.00 71.45 H new ATOM 0 HD23 LEU A 6 -0.460 -13.113 -0.734 1.00 71.45 H new ATOM 93 N ARG A 7 2.498 -11.632 -5.644 1.00 52.44 N ATOM 94 CA ARG A 7 3.149 -10.497 -6.335 1.00 70.55 C ATOM 95 C ARG A 7 2.662 -9.159 -5.758 1.00 2.34 C ATOM 96 O ARG A 7 1.547 -8.723 -6.077 1.00 23.43 O ATOM 97 CB ARG A 7 2.817 -10.528 -7.857 1.00 64.40 C ATOM 98 CG ARG A 7 3.209 -11.818 -8.606 1.00 3.42 C ATOM 99 CD ARG A 7 2.869 -11.723 -10.100 1.00 32.14 C ATOM 100 NE ARG A 7 3.343 -12.881 -10.872 1.00 15.44 N ATOM 101 CZ ARG A 7 3.068 -13.099 -12.169 1.00 45.51 C ATOM 102 NH1 ARG A 7 2.319 -12.242 -12.863 1.00 14.43 N ATOM 103 NH2 ARG A 7 3.558 -14.168 -12.770 1.00 22.01 N ATOM 0 H ARG A 7 1.753 -12.069 -6.186 1.00 52.44 H new ATOM 0 HA ARG A 7 4.225 -10.590 -6.186 1.00 70.55 H new ATOM 0 HB2 ARG A 7 1.745 -10.372 -7.979 1.00 64.40 H new ATOM 0 HB3 ARG A 7 3.318 -9.687 -8.336 1.00 64.40 H new ATOM 0 HG2 ARG A 7 4.277 -12.001 -8.485 1.00 3.42 H new ATOM 0 HG3 ARG A 7 2.688 -12.669 -8.166 1.00 3.42 H new ATOM 0 HD2 ARG A 7 1.789 -11.633 -10.216 1.00 32.14 H new ATOM 0 HD3 ARG A 7 3.310 -10.815 -10.510 1.00 32.14 H new ATOM 0 HE ARG A 7 3.922 -13.568 -10.389 1.00 15.44 H new ATOM 0 HH11 ARG A 7 1.946 -11.408 -12.410 1.00 14.43 H new ATOM 0 HH12 ARG A 7 2.119 -12.421 -13.847 1.00 14.43 H new ATOM 0 HH21 ARG A 7 4.142 -14.823 -12.250 1.00 22.01 H new ATOM 0 HH22 ARG A 7 3.353 -14.339 -13.754 1.00 22.01 H new ATOM 117 N VAL A 8 3.503 -8.498 -4.938 1.00 12.24 N ATOM 118 CA VAL A 8 3.175 -7.186 -4.355 1.00 64.41 C ATOM 119 C VAL A 8 4.207 -6.164 -4.863 1.00 30.00 C ATOM 120 O VAL A 8 5.365 -6.189 -4.439 1.00 62.13 O ATOM 121 CB VAL A 8 3.192 -7.207 -2.777 1.00 13.50 C ATOM 122 CG1 VAL A 8 2.443 -5.986 -2.195 1.00 15.41 C ATOM 123 CG2 VAL A 8 2.631 -8.529 -2.204 1.00 71.51 C ATOM 0 H VAL A 8 4.418 -8.855 -4.665 1.00 12.24 H new ATOM 0 HA VAL A 8 2.164 -6.918 -4.661 1.00 64.41 H new ATOM 0 HB VAL A 8 4.236 -7.144 -2.469 1.00 13.50 H new ATOM 0 HG11 VAL A 8 2.471 -6.027 -1.106 1.00 15.41 H new ATOM 0 HG12 VAL A 8 2.923 -5.069 -2.536 1.00 15.41 H new ATOM 0 HG13 VAL A 8 1.407 -6.000 -2.532 1.00 15.41 H new ATOM 0 HG21 VAL A 8 2.663 -8.496 -1.115 1.00 71.51 H new ATOM 0 HG22 VAL A 8 1.600 -8.660 -2.533 1.00 71.51 H new ATOM 0 HG23 VAL A 8 3.234 -9.365 -2.560 1.00 71.51 H new ATOM 133 N GLU A 9 3.777 -5.293 -5.786 1.00 53.41 N ATOM 134 CA GLU A 9 4.625 -4.253 -6.394 1.00 65.25 C ATOM 135 C GLU A 9 4.025 -2.875 -6.069 1.00 54.51 C ATOM 136 O GLU A 9 3.071 -2.441 -6.724 1.00 54.24 O ATOM 137 CB GLU A 9 4.707 -4.485 -7.933 1.00 44.52 C ATOM 138 CG GLU A 9 5.221 -5.892 -8.308 1.00 53.25 C ATOM 139 CD GLU A 9 5.113 -6.208 -9.806 1.00 54.01 C ATOM 140 OE1 GLU A 9 3.985 -6.415 -10.293 1.00 70.55 O ATOM 141 OE2 GLU A 9 6.149 -6.264 -10.505 1.00 32.30 O ATOM 0 H GLU A 9 2.819 -5.289 -6.137 1.00 53.41 H new ATOM 0 HA GLU A 9 5.637 -4.299 -5.991 1.00 65.25 H new ATOM 0 HB2 GLU A 9 3.719 -4.338 -8.370 1.00 44.52 H new ATOM 0 HB3 GLU A 9 5.365 -3.735 -8.373 1.00 44.52 H new ATOM 0 HG2 GLU A 9 6.263 -5.983 -8.001 1.00 53.25 H new ATOM 0 HG3 GLU A 9 4.657 -6.637 -7.747 1.00 53.25 H new ATOM 148 N ILE A 10 4.567 -2.206 -5.041 1.00 2.13 N ATOM 149 CA ILE A 10 4.012 -0.925 -4.558 1.00 52.40 C ATOM 150 C ILE A 10 4.722 0.248 -5.262 1.00 52.12 C ATOM 151 O ILE A 10 5.887 0.520 -4.975 1.00 73.10 O ATOM 152 CB ILE A 10 4.214 -0.767 -3.002 1.00 50.21 C ATOM 153 CG1 ILE A 10 3.666 -2.013 -2.238 1.00 74.20 C ATOM 154 CG2 ILE A 10 3.563 0.546 -2.482 1.00 45.50 C ATOM 155 CD1 ILE A 10 2.194 -2.271 -2.441 1.00 13.34 C ATOM 0 H ILE A 10 5.387 -2.527 -4.526 1.00 2.13 H new ATOM 0 HA ILE A 10 2.945 -0.918 -4.782 1.00 52.40 H new ATOM 0 HB ILE A 10 5.285 -0.703 -2.808 1.00 50.21 H new ATOM 0 HG12 ILE A 10 4.224 -2.894 -2.556 1.00 74.20 H new ATOM 0 HG13 ILE A 10 3.856 -1.883 -1.173 1.00 74.20 H new ATOM 0 HG21 ILE A 10 3.718 0.628 -1.406 1.00 45.50 H new ATOM 0 HG22 ILE A 10 4.020 1.401 -2.981 1.00 45.50 H new ATOM 0 HG23 ILE A 10 2.494 0.531 -2.694 1.00 45.50 H new ATOM 0 HD11 ILE A 10 1.898 -3.154 -1.875 1.00 13.34 H new ATOM 0 HD12 ILE A 10 1.623 -1.410 -2.095 1.00 13.34 H new ATOM 0 HD13 ILE A 10 1.996 -2.436 -3.500 1.00 13.34 H new ATOM 167 N LYS A 11 4.001 0.979 -6.120 1.00 41.23 N ATOM 168 CA LYS A 11 4.588 2.048 -6.941 1.00 62.51 C ATOM 169 C LYS A 11 4.404 3.402 -6.222 1.00 73.13 C ATOM 170 O LYS A 11 3.290 3.903 -6.097 1.00 32.12 O ATOM 171 CB LYS A 11 3.905 2.031 -8.337 1.00 1.31 C ATOM 172 CG LYS A 11 4.384 3.109 -9.330 1.00 2.14 C ATOM 173 CD LYS A 11 5.878 2.973 -9.691 1.00 53.44 C ATOM 174 CE LYS A 11 6.327 4.016 -10.721 1.00 12.21 C ATOM 175 NZ LYS A 11 6.056 5.398 -10.258 1.00 61.21 N ATOM 0 H LYS A 11 3.000 0.849 -6.265 1.00 41.23 H new ATOM 0 HA LYS A 11 5.658 1.893 -7.082 1.00 62.51 H new ATOM 0 HB2 LYS A 11 4.066 1.052 -8.787 1.00 1.31 H new ATOM 0 HB3 LYS A 11 2.830 2.145 -8.196 1.00 1.31 H new ATOM 0 HG2 LYS A 11 3.788 3.047 -10.241 1.00 2.14 H new ATOM 0 HG3 LYS A 11 4.208 4.095 -8.901 1.00 2.14 H new ATOM 0 HD2 LYS A 11 6.478 3.077 -8.787 1.00 53.44 H new ATOM 0 HD3 LYS A 11 6.065 1.974 -10.085 1.00 53.44 H new ATOM 0 HE2 LYS A 11 7.393 3.900 -10.915 1.00 12.21 H new ATOM 0 HE3 LYS A 11 5.811 3.841 -11.665 1.00 12.21 H new ATOM 0 HZ1 LYS A 11 6.875 6.003 -10.472 1.00 61.21 H new ATOM 0 HZ2 LYS A 11 5.215 5.769 -10.745 1.00 61.21 H new ATOM 0 HZ3 LYS A 11 5.887 5.394 -9.232 1.00 61.21 H new ATOM 189 N ILE A 12 5.517 3.983 -5.747 1.00 13.33 N ATOM 190 CA ILE A 12 5.505 5.238 -4.975 1.00 65.54 C ATOM 191 C ILE A 12 5.912 6.408 -5.885 1.00 33.10 C ATOM 192 O ILE A 12 7.060 6.478 -6.348 1.00 34.31 O ATOM 193 CB ILE A 12 6.463 5.138 -3.723 1.00 10.41 C ATOM 194 CG1 ILE A 12 5.973 4.018 -2.747 1.00 22.04 C ATOM 195 CG2 ILE A 12 6.614 6.498 -2.979 1.00 14.05 C ATOM 196 CD1 ILE A 12 4.615 4.251 -2.124 1.00 73.04 C ATOM 0 H ILE A 12 6.451 3.597 -5.887 1.00 13.33 H new ATOM 0 HA ILE A 12 4.495 5.415 -4.604 1.00 65.54 H new ATOM 0 HB ILE A 12 7.453 4.873 -4.095 1.00 10.41 H new ATOM 0 HG12 ILE A 12 5.948 3.072 -3.289 1.00 22.04 H new ATOM 0 HG13 ILE A 12 6.707 3.909 -1.948 1.00 22.04 H new ATOM 0 HG21 ILE A 12 7.282 6.374 -2.127 1.00 14.05 H new ATOM 0 HG22 ILE A 12 7.028 7.241 -3.660 1.00 14.05 H new ATOM 0 HG23 ILE A 12 5.637 6.831 -2.629 1.00 14.05 H new ATOM 0 HD11 ILE A 12 4.369 3.418 -1.465 1.00 73.04 H new ATOM 0 HD12 ILE A 12 4.633 5.176 -1.548 1.00 73.04 H new ATOM 0 HD13 ILE A 12 3.863 4.327 -2.909 1.00 73.04 H new ATOM 208 N ASP A 13 4.945 7.302 -6.145 1.00 74.12 N ATOM 209 CA ASP A 13 5.141 8.512 -6.960 1.00 40.23 C ATOM 210 C ASP A 13 5.142 9.750 -6.045 1.00 75.53 C ATOM 211 O ASP A 13 4.081 10.192 -5.584 1.00 55.35 O ATOM 212 CB ASP A 13 4.009 8.630 -8.026 1.00 15.35 C ATOM 213 CG ASP A 13 4.055 7.546 -9.106 1.00 61.54 C ATOM 214 OD1 ASP A 13 3.470 6.453 -8.912 1.00 62.42 O ATOM 215 OD2 ASP A 13 4.674 7.780 -10.169 1.00 61.13 O ATOM 0 H ASP A 13 3.993 7.204 -5.791 1.00 74.12 H new ATOM 0 HA ASP A 13 6.098 8.448 -7.478 1.00 40.23 H new ATOM 0 HB2 ASP A 13 3.043 8.586 -7.522 1.00 15.35 H new ATOM 0 HB3 ASP A 13 4.074 9.607 -8.504 1.00 15.35 H new ATOM 220 N CYS A 14 6.340 10.281 -5.756 1.00 30.34 N ATOM 221 CA CYS A 14 6.508 11.517 -4.970 1.00 11.12 C ATOM 222 C CYS A 14 7.349 12.532 -5.771 1.00 34.35 C ATOM 223 O CYS A 14 6.806 13.498 -6.317 1.00 41.55 O ATOM 224 CB CYS A 14 7.159 11.206 -3.600 1.00 55.51 C ATOM 225 SG CYS A 14 6.323 9.905 -2.672 1.00 62.04 S ATOM 0 H CYS A 14 7.221 9.867 -6.060 1.00 30.34 H new ATOM 0 HA CYS A 14 5.529 11.955 -4.777 1.00 11.12 H new ATOM 0 HB2 CYS A 14 8.197 10.915 -3.760 1.00 55.51 H new ATOM 0 HB3 CYS A 14 7.172 12.116 -3.000 1.00 55.51 H new ATOM 0 HG CYS A 14 6.117 10.305 -1.452 1.00 62.04 H new ATOM 231 N GLY A 15 8.674 12.278 -5.877 1.00 11.54 N ATOM 232 CA GLY A 15 9.616 13.196 -6.531 1.00 73.01 C ATOM 233 C GLY A 15 10.310 12.579 -7.741 1.00 63.44 C ATOM 234 O GLY A 15 11.439 12.969 -8.077 1.00 75.13 O ATOM 0 H GLY A 15 9.112 11.433 -5.511 1.00 11.54 H new ATOM 0 HA2 GLY A 15 9.082 14.093 -6.844 1.00 73.01 H new ATOM 0 HA3 GLY A 15 10.369 13.510 -5.808 1.00 73.01 H new ATOM 238 N ASN A 16 9.620 11.639 -8.411 1.00 64.20 N ATOM 239 CA ASN A 16 10.158 10.924 -9.591 1.00 2.34 C ATOM 240 C ASN A 16 9.027 10.223 -10.367 1.00 55.24 C ATOM 241 O ASN A 16 8.083 9.692 -9.765 1.00 22.21 O ATOM 242 CB ASN A 16 11.249 9.891 -9.175 1.00 54.13 C ATOM 243 CG ASN A 16 10.738 8.759 -8.268 1.00 71.13 C ATOM 244 OD1 ASN A 16 9.812 8.937 -7.477 1.00 33.13 O ATOM 245 ND2 ASN A 16 11.329 7.585 -8.381 1.00 42.24 N ATOM 0 H ASN A 16 8.676 11.351 -8.154 1.00 64.20 H new ATOM 0 HA ASN A 16 10.622 11.664 -10.244 1.00 2.34 H new ATOM 0 HB2 ASN A 16 11.679 9.453 -10.075 1.00 54.13 H new ATOM 0 HB3 ASN A 16 12.053 10.417 -8.661 1.00 54.13 H new ATOM 0 HD21 ASN A 16 11.020 6.801 -7.806 1.00 42.24 H new ATOM 0 HD22 ASN A 16 12.095 7.461 -9.044 1.00 42.24 H new ATOM 252 N ASP A 17 9.130 10.241 -11.702 1.00 55.10 N ATOM 253 CA ASP A 17 8.182 9.564 -12.611 1.00 4.44 C ATOM 254 C ASP A 17 8.977 8.748 -13.632 1.00 1.10 C ATOM 255 O ASP A 17 8.770 7.535 -13.769 1.00 43.14 O ATOM 256 CB ASP A 17 7.257 10.592 -13.314 1.00 42.45 C ATOM 257 CG ASP A 17 6.228 9.933 -14.258 1.00 5.12 C ATOM 258 OD1 ASP A 17 5.215 9.400 -13.764 1.00 1.32 O ATOM 259 OD2 ASP A 17 6.434 9.933 -15.489 1.00 2.13 O ATOM 0 H ASP A 17 9.880 10.730 -12.191 1.00 55.10 H new ATOM 0 HA ASP A 17 7.540 8.896 -12.037 1.00 4.44 H new ATOM 0 HB2 ASP A 17 6.728 11.173 -12.558 1.00 42.45 H new ATOM 0 HB3 ASP A 17 7.868 11.292 -13.884 1.00 42.45 H new ATOM 264 N ASP A 18 9.901 9.427 -14.340 1.00 35.33 N ATOM 265 CA ASP A 18 10.873 8.781 -15.248 1.00 2.11 C ATOM 266 C ASP A 18 12.018 8.189 -14.391 1.00 1.04 C ATOM 267 O ASP A 18 13.165 8.673 -14.404 1.00 60.33 O ATOM 268 CB ASP A 18 11.398 9.793 -16.310 1.00 74.43 C ATOM 269 CG ASP A 18 12.410 9.179 -17.298 1.00 11.53 C ATOM 270 OD1 ASP A 18 12.017 8.292 -18.087 1.00 21.44 O ATOM 271 OD2 ASP A 18 13.604 9.554 -17.273 1.00 30.35 O ATOM 0 H ASP A 18 9.996 10.442 -14.299 1.00 35.33 H new ATOM 0 HA ASP A 18 10.393 7.976 -15.804 1.00 2.11 H new ATOM 0 HB2 ASP A 18 10.552 10.191 -16.870 1.00 74.43 H new ATOM 0 HB3 ASP A 18 11.866 10.634 -15.798 1.00 74.43 H new ATOM 276 N LYS A 19 11.635 7.165 -13.609 1.00 62.23 N ATOM 277 CA LYS A 19 12.444 6.525 -12.569 1.00 61.31 C ATOM 278 C LYS A 19 11.494 5.610 -11.776 1.00 53.30 C ATOM 279 O LYS A 19 10.814 6.076 -10.845 1.00 71.14 O ATOM 280 CB LYS A 19 13.109 7.565 -11.609 1.00 25.13 C ATOM 281 CG LYS A 19 14.173 6.979 -10.660 1.00 61.13 C ATOM 282 CD LYS A 19 14.719 8.027 -9.662 1.00 75.11 C ATOM 283 CE LYS A 19 15.888 7.487 -8.822 1.00 45.34 C ATOM 284 NZ LYS A 19 17.078 7.171 -9.662 1.00 21.35 N ATOM 0 H LYS A 19 10.709 6.745 -13.692 1.00 62.23 H new ATOM 0 HA LYS A 19 13.261 5.968 -13.029 1.00 61.31 H new ATOM 0 HB2 LYS A 19 13.570 8.350 -12.209 1.00 25.13 H new ATOM 0 HB3 LYS A 19 12.329 8.037 -11.011 1.00 25.13 H new ATOM 0 HG2 LYS A 19 13.741 6.145 -10.106 1.00 61.13 H new ATOM 0 HG3 LYS A 19 14.998 6.578 -11.248 1.00 61.13 H new ATOM 0 HD2 LYS A 19 15.047 8.910 -10.211 1.00 75.11 H new ATOM 0 HD3 LYS A 19 13.915 8.345 -8.998 1.00 75.11 H new ATOM 0 HE2 LYS A 19 16.162 8.223 -8.066 1.00 45.34 H new ATOM 0 HE3 LYS A 19 15.570 6.590 -8.292 1.00 45.34 H new ATOM 0 HZ1 LYS A 19 17.906 7.023 -9.050 1.00 21.35 H new ATOM 0 HZ2 LYS A 19 16.895 6.308 -10.212 1.00 21.35 H new ATOM 0 HZ3 LYS A 19 17.265 7.962 -10.311 1.00 21.35 H new ATOM 298 N GLU A 20 11.382 4.340 -12.205 1.00 43.41 N ATOM 299 CA GLU A 20 10.479 3.363 -11.575 1.00 33.03 C ATOM 300 C GLU A 20 10.906 3.080 -10.118 1.00 52.23 C ATOM 301 O GLU A 20 12.042 2.672 -9.864 1.00 3.24 O ATOM 302 CB GLU A 20 10.431 2.035 -12.397 1.00 43.40 C ATOM 303 CG GLU A 20 11.808 1.399 -12.705 1.00 0.23 C ATOM 304 CD GLU A 20 11.710 -0.068 -13.155 1.00 43.43 C ATOM 305 OE1 GLU A 20 11.490 -0.938 -12.285 1.00 70.31 O ATOM 306 OE2 GLU A 20 11.812 -0.361 -14.365 1.00 73.53 O ATOM 0 H GLU A 20 11.911 3.965 -12.992 1.00 43.41 H new ATOM 0 HA GLU A 20 9.478 3.794 -11.563 1.00 33.03 H new ATOM 0 HB2 GLU A 20 9.828 1.310 -11.850 1.00 43.40 H new ATOM 0 HB3 GLU A 20 9.919 2.229 -13.340 1.00 43.40 H new ATOM 0 HG2 GLU A 20 12.303 1.979 -13.484 1.00 0.23 H new ATOM 0 HG3 GLU A 20 12.436 1.459 -11.816 1.00 0.23 H new ATOM 313 N THR A 21 10.004 3.366 -9.155 1.00 71.43 N ATOM 314 CA THR A 21 10.184 2.969 -7.755 1.00 43.42 C ATOM 315 C THR A 21 9.002 2.096 -7.326 1.00 44.15 C ATOM 316 O THR A 21 7.896 2.590 -7.113 1.00 51.43 O ATOM 317 CB THR A 21 10.323 4.213 -6.813 1.00 54.23 C ATOM 318 OG1 THR A 21 11.469 4.985 -7.218 1.00 70.12 O ATOM 319 CG2 THR A 21 10.467 3.818 -5.326 1.00 44.11 C ATOM 0 H THR A 21 9.138 3.876 -9.331 1.00 71.43 H new ATOM 0 HA THR A 21 11.110 2.401 -7.671 1.00 43.42 H new ATOM 0 HB THR A 21 9.409 4.800 -6.904 1.00 54.23 H new ATOM 0 HG1 THR A 21 11.753 5.562 -6.478 1.00 70.12 H new ATOM 0 HG21 THR A 21 10.560 4.718 -4.718 1.00 44.11 H new ATOM 0 HG22 THR A 21 9.587 3.257 -5.012 1.00 44.11 H new ATOM 0 HG23 THR A 21 11.356 3.200 -5.198 1.00 44.11 H new ATOM 327 N THR A 22 9.258 0.786 -7.235 1.00 23.15 N ATOM 328 CA THR A 22 8.312 -0.206 -6.714 1.00 15.15 C ATOM 329 C THR A 22 8.951 -0.925 -5.529 1.00 4.25 C ATOM 330 O THR A 22 10.179 -1.119 -5.502 1.00 0.05 O ATOM 331 CB THR A 22 7.887 -1.253 -7.795 1.00 71.52 C ATOM 332 OG1 THR A 22 9.056 -1.872 -8.359 1.00 33.12 O ATOM 333 CG2 THR A 22 7.047 -0.621 -8.916 1.00 72.15 C ATOM 0 H THR A 22 10.146 0.378 -7.527 1.00 23.15 H new ATOM 0 HA THR A 22 7.410 0.323 -6.406 1.00 15.15 H new ATOM 0 HB THR A 22 7.268 -2.001 -7.300 1.00 71.52 H new ATOM 0 HG1 THR A 22 9.276 -2.681 -7.851 1.00 33.12 H new ATOM 0 HG21 THR A 22 6.776 -1.386 -9.643 1.00 72.15 H new ATOM 0 HG22 THR A 22 6.142 -0.186 -8.492 1.00 72.15 H new ATOM 0 HG23 THR A 22 7.627 0.159 -9.410 1.00 72.15 H new ATOM 341 N TYR A 23 8.125 -1.310 -4.551 1.00 2.30 N ATOM 342 CA TYR A 23 8.560 -2.139 -3.431 1.00 71.44 C ATOM 343 C TYR A 23 8.017 -3.539 -3.687 1.00 70.55 C ATOM 344 O TYR A 23 6.801 -3.737 -3.757 1.00 21.22 O ATOM 345 CB TYR A 23 8.029 -1.552 -2.091 1.00 23.11 C ATOM 346 CG TYR A 23 8.656 -0.201 -1.719 1.00 52.44 C ATOM 347 CD1 TYR A 23 8.251 0.981 -2.338 1.00 74.24 C ATOM 348 CD2 TYR A 23 9.666 -0.114 -0.758 1.00 54.41 C ATOM 349 CE1 TYR A 23 8.827 2.194 -2.016 1.00 74.33 C ATOM 350 CE2 TYR A 23 10.240 1.097 -0.431 1.00 74.11 C ATOM 351 CZ TYR A 23 9.819 2.251 -1.063 1.00 41.43 C ATOM 352 OH TYR A 23 10.389 3.466 -0.741 1.00 35.42 O ATOM 0 H TYR A 23 7.138 -1.054 -4.517 1.00 2.30 H new ATOM 0 HA TYR A 23 9.647 -2.167 -3.350 1.00 71.44 H new ATOM 0 HB2 TYR A 23 6.948 -1.434 -2.159 1.00 23.11 H new ATOM 0 HB3 TYR A 23 8.222 -2.265 -1.290 1.00 23.11 H new ATOM 0 HD1 TYR A 23 7.471 0.947 -3.084 1.00 74.24 H new ATOM 0 HD2 TYR A 23 10.004 -1.012 -0.262 1.00 54.41 H new ATOM 0 HE1 TYR A 23 8.500 3.096 -2.511 1.00 74.33 H new ATOM 0 HE2 TYR A 23 11.017 1.143 0.318 1.00 74.11 H new ATOM 0 HH TYR A 23 11.072 3.334 -0.051 1.00 35.42 H new ATOM 362 N ASP A 24 8.931 -4.501 -3.797 1.00 62.42 N ATOM 363 CA ASP A 24 8.626 -5.875 -4.190 1.00 5.32 C ATOM 364 C ASP A 24 8.771 -6.761 -2.967 1.00 54.33 C ATOM 365 O ASP A 24 9.892 -7.093 -2.554 1.00 13.33 O ATOM 366 CB ASP A 24 9.572 -6.332 -5.330 1.00 3.44 C ATOM 367 CG ASP A 24 9.347 -5.560 -6.643 1.00 14.15 C ATOM 368 OD1 ASP A 24 9.892 -4.441 -6.802 1.00 5.50 O ATOM 369 OD2 ASP A 24 8.630 -6.069 -7.526 1.00 32.11 O ATOM 0 H ASP A 24 9.922 -4.345 -3.612 1.00 62.42 H new ATOM 0 HA ASP A 24 7.606 -5.944 -4.569 1.00 5.32 H new ATOM 0 HB2 ASP A 24 10.606 -6.202 -5.011 1.00 3.44 H new ATOM 0 HB3 ASP A 24 9.426 -7.397 -5.511 1.00 3.44 H new ATOM 374 N LEU A 25 7.633 -7.069 -2.353 1.00 74.13 N ATOM 375 CA LEU A 25 7.563 -7.907 -1.154 1.00 65.21 C ATOM 376 C LEU A 25 6.572 -9.048 -1.381 1.00 12.21 C ATOM 377 O LEU A 25 5.854 -9.081 -2.388 1.00 63.32 O ATOM 378 CB LEU A 25 7.188 -7.023 0.076 1.00 21.23 C ATOM 379 CG LEU A 25 5.802 -6.269 0.032 1.00 60.32 C ATOM 380 CD1 LEU A 25 4.655 -7.109 0.649 1.00 13.53 C ATOM 381 CD2 LEU A 25 5.890 -4.887 0.701 1.00 33.05 C ATOM 0 H LEU A 25 6.722 -6.742 -2.675 1.00 74.13 H new ATOM 0 HA LEU A 25 8.533 -8.359 -0.948 1.00 65.21 H new ATOM 0 HB2 LEU A 25 7.199 -7.657 0.962 1.00 21.23 H new ATOM 0 HB3 LEU A 25 7.973 -6.278 0.207 1.00 21.23 H new ATOM 0 HG LEU A 25 5.563 -6.121 -1.021 1.00 60.32 H new ATOM 0 HD11 LEU A 25 3.723 -6.547 0.595 1.00 13.53 H new ATOM 0 HD12 LEU A 25 4.549 -8.042 0.095 1.00 13.53 H new ATOM 0 HD13 LEU A 25 4.886 -7.330 1.691 1.00 13.53 H new ATOM 0 HD21 LEU A 25 4.918 -4.397 0.652 1.00 33.05 H new ATOM 0 HD22 LEU A 25 6.185 -5.006 1.744 1.00 33.05 H new ATOM 0 HD23 LEU A 25 6.630 -4.278 0.182 1.00 33.05 H new ATOM 393 N TYR A 26 6.563 -10.005 -0.449 1.00 24.04 N ATOM 394 CA TYR A 26 5.700 -11.191 -0.498 1.00 44.01 C ATOM 395 C TYR A 26 5.100 -11.416 0.885 1.00 21.54 C ATOM 396 O TYR A 26 5.786 -11.236 1.904 1.00 1.03 O ATOM 397 CB TYR A 26 6.520 -12.438 -0.945 1.00 41.15 C ATOM 398 CG TYR A 26 7.035 -12.352 -2.395 1.00 71.23 C ATOM 399 CD1 TYR A 26 8.228 -11.691 -2.703 1.00 11.34 C ATOM 400 CD2 TYR A 26 6.304 -12.890 -3.454 1.00 34.23 C ATOM 401 CE1 TYR A 26 8.671 -11.578 -4.002 1.00 12.33 C ATOM 402 CE2 TYR A 26 6.740 -12.771 -4.755 1.00 24.02 C ATOM 403 CZ TYR A 26 7.923 -12.114 -5.025 1.00 1.31 C ATOM 404 OH TYR A 26 8.347 -11.981 -6.324 1.00 13.10 O ATOM 0 H TYR A 26 7.164 -9.978 0.374 1.00 24.04 H new ATOM 0 HA TYR A 26 4.901 -11.036 -1.223 1.00 44.01 H new ATOM 0 HB2 TYR A 26 7.370 -12.563 -0.274 1.00 41.15 H new ATOM 0 HB3 TYR A 26 5.898 -13.327 -0.842 1.00 41.15 H new ATOM 0 HD1 TYR A 26 8.815 -11.260 -1.905 1.00 11.34 H new ATOM 0 HD2 TYR A 26 5.379 -13.409 -3.250 1.00 34.23 H new ATOM 0 HE1 TYR A 26 9.600 -11.071 -4.217 1.00 12.33 H new ATOM 0 HE2 TYR A 26 6.158 -13.191 -5.562 1.00 24.02 H new ATOM 0 HH TYR A 26 7.706 -12.417 -6.924 1.00 13.10 H new ATOM 414 N PHE A 27 3.813 -11.783 0.923 1.00 74.25 N ATOM 415 CA PHE A 27 3.127 -12.117 2.170 1.00 54.13 C ATOM 416 C PHE A 27 3.505 -13.553 2.551 1.00 24.41 C ATOM 417 O PHE A 27 3.044 -14.506 1.920 1.00 14.44 O ATOM 418 CB PHE A 27 1.586 -11.978 2.016 1.00 11.45 C ATOM 419 CG PHE A 27 1.110 -10.624 1.485 1.00 0.13 C ATOM 420 CD1 PHE A 27 1.692 -9.435 1.925 1.00 21.40 C ATOM 421 CD2 PHE A 27 0.072 -10.536 0.550 1.00 2.52 C ATOM 422 CE1 PHE A 27 1.256 -8.220 1.451 1.00 23.00 C ATOM 423 CE2 PHE A 27 -0.357 -9.313 0.081 1.00 5.31 C ATOM 424 CZ PHE A 27 0.233 -8.157 0.530 1.00 1.43 C ATOM 0 H PHE A 27 3.224 -11.855 0.094 1.00 74.25 H new ATOM 0 HA PHE A 27 3.434 -11.426 2.955 1.00 54.13 H new ATOM 0 HB2 PHE A 27 1.231 -12.760 1.345 1.00 11.45 H new ATOM 0 HB3 PHE A 27 1.121 -12.155 2.986 1.00 11.45 H new ATOM 0 HD1 PHE A 27 2.495 -9.469 2.647 1.00 21.40 H new ATOM 0 HD2 PHE A 27 -0.399 -11.439 0.191 1.00 2.52 H new ATOM 0 HE1 PHE A 27 1.718 -7.310 1.803 1.00 23.00 H new ATOM 0 HE2 PHE A 27 -1.159 -9.264 -0.641 1.00 5.31 H new ATOM 0 HZ PHE A 27 -0.104 -7.200 0.162 1.00 1.43 H new ATOM 434 N SER A 28 4.428 -13.683 3.516 1.00 60.02 N ATOM 435 CA SER A 28 4.824 -14.980 4.083 1.00 72.53 C ATOM 436 C SER A 28 3.669 -15.536 4.930 1.00 21.01 C ATOM 437 O SER A 28 3.157 -16.625 4.653 1.00 63.43 O ATOM 438 CB SER A 28 6.119 -14.815 4.907 1.00 20.04 C ATOM 439 OG SER A 28 6.517 -16.026 5.531 1.00 25.43 O ATOM 0 H SER A 28 4.921 -12.890 3.926 1.00 60.02 H new ATOM 0 HA SER A 28 5.032 -15.695 3.287 1.00 72.53 H new ATOM 0 HB2 SER A 28 6.919 -14.464 4.256 1.00 20.04 H new ATOM 0 HB3 SER A 28 5.968 -14.049 5.668 1.00 20.04 H new ATOM 0 HG SER A 28 6.352 -15.967 6.495 1.00 25.43 H new ATOM 445 N LYS A 29 3.271 -14.754 5.955 1.00 71.53 N ATOM 446 CA LYS A 29 2.067 -14.994 6.776 1.00 20.40 C ATOM 447 C LYS A 29 1.480 -13.645 7.241 1.00 20.34 C ATOM 448 O LYS A 29 1.948 -12.589 6.808 1.00 24.30 O ATOM 449 CB LYS A 29 2.359 -15.939 7.991 1.00 53.43 C ATOM 450 CG LYS A 29 2.464 -17.448 7.644 1.00 14.33 C ATOM 451 CD LYS A 29 1.231 -17.985 6.860 1.00 63.54 C ATOM 452 CE LYS A 29 -0.105 -17.806 7.611 1.00 73.51 C ATOM 453 NZ LYS A 29 -1.278 -18.118 6.750 1.00 21.12 N ATOM 0 H LYS A 29 3.788 -13.922 6.240 1.00 71.53 H new ATOM 0 HA LYS A 29 1.331 -15.508 6.158 1.00 20.40 H new ATOM 0 HB2 LYS A 29 3.292 -15.625 8.459 1.00 53.43 H new ATOM 0 HB3 LYS A 29 1.570 -15.807 8.731 1.00 53.43 H new ATOM 0 HG2 LYS A 29 3.364 -17.616 7.052 1.00 14.33 H new ATOM 0 HG3 LYS A 29 2.577 -18.019 8.566 1.00 14.33 H new ATOM 0 HD2 LYS A 29 1.170 -17.472 5.900 1.00 63.54 H new ATOM 0 HD3 LYS A 29 1.379 -19.044 6.647 1.00 63.54 H new ATOM 0 HE2 LYS A 29 -0.117 -18.454 8.488 1.00 73.51 H new ATOM 0 HE3 LYS A 29 -0.183 -16.780 7.971 1.00 73.51 H new ATOM 0 HZ1 LYS A 29 -2.092 -17.544 7.050 1.00 21.12 H new ATOM 0 HZ2 LYS A 29 -1.049 -17.902 5.759 1.00 21.12 H new ATOM 0 HZ3 LYS A 29 -1.515 -19.127 6.838 1.00 21.12 H new ATOM 467 N ALA A 30 0.447 -13.698 8.117 1.00 33.45 N ATOM 468 CA ALA A 30 -0.365 -12.529 8.515 1.00 1.13 C ATOM 469 C ALA A 30 0.440 -11.468 9.278 1.00 41.02 C ATOM 470 O ALA A 30 0.520 -10.323 8.828 1.00 54.30 O ATOM 471 CB ALA A 30 -1.558 -12.978 9.361 1.00 74.44 C ATOM 0 H ALA A 30 0.154 -14.564 8.570 1.00 33.45 H new ATOM 0 HA ALA A 30 -0.713 -12.064 7.592 1.00 1.13 H new ATOM 0 HB1 ALA A 30 -2.148 -12.108 9.648 1.00 74.44 H new ATOM 0 HB2 ALA A 30 -2.178 -13.662 8.782 1.00 74.44 H new ATOM 0 HB3 ALA A 30 -1.199 -13.484 10.257 1.00 74.44 H new ATOM 477 N GLU A 31 1.021 -11.856 10.431 1.00 53.02 N ATOM 478 CA GLU A 31 1.793 -10.941 11.306 1.00 44.51 C ATOM 479 C GLU A 31 2.960 -10.292 10.551 1.00 3.15 C ATOM 480 O GLU A 31 3.273 -9.113 10.761 1.00 15.34 O ATOM 481 CB GLU A 31 2.304 -11.692 12.570 1.00 60.34 C ATOM 482 CG GLU A 31 1.270 -11.820 13.715 1.00 31.02 C ATOM 483 CD GLU A 31 -0.040 -12.523 13.307 1.00 10.34 C ATOM 484 OE1 GLU A 31 -0.100 -13.771 13.352 1.00 65.34 O ATOM 485 OE2 GLU A 31 -1.013 -11.831 12.928 1.00 75.41 O ATOM 0 H GLU A 31 0.970 -12.811 10.785 1.00 53.02 H new ATOM 0 HA GLU A 31 1.122 -10.143 11.625 1.00 44.51 H new ATOM 0 HB2 GLU A 31 2.624 -12.692 12.276 1.00 60.34 H new ATOM 0 HB3 GLU A 31 3.184 -11.174 12.951 1.00 60.34 H new ATOM 0 HG2 GLU A 31 1.723 -12.371 14.539 1.00 31.02 H new ATOM 0 HG3 GLU A 31 1.034 -10.824 14.089 1.00 31.02 H new ATOM 492 N GLU A 32 3.581 -11.088 9.678 1.00 72.21 N ATOM 493 CA GLU A 32 4.694 -10.654 8.836 1.00 25.11 C ATOM 494 C GLU A 32 4.203 -9.627 7.808 1.00 13.41 C ATOM 495 O GLU A 32 4.808 -8.568 7.661 1.00 11.34 O ATOM 496 CB GLU A 32 5.338 -11.882 8.149 1.00 21.11 C ATOM 497 CG GLU A 32 5.846 -12.945 9.145 1.00 72.45 C ATOM 498 CD GLU A 32 6.443 -14.179 8.461 1.00 13.54 C ATOM 499 OE1 GLU A 32 7.580 -14.086 7.950 1.00 51.10 O ATOM 500 OE2 GLU A 32 5.771 -15.233 8.400 1.00 51.15 O ATOM 0 H GLU A 32 3.321 -12.064 9.535 1.00 72.21 H new ATOM 0 HA GLU A 32 5.455 -10.173 9.451 1.00 25.11 H new ATOM 0 HB2 GLU A 32 4.608 -12.340 7.481 1.00 21.11 H new ATOM 0 HB3 GLU A 32 6.170 -11.548 7.530 1.00 21.11 H new ATOM 0 HG2 GLU A 32 6.600 -12.496 9.792 1.00 72.45 H new ATOM 0 HG3 GLU A 32 5.021 -13.257 9.786 1.00 72.45 H new ATOM 507 N ALA A 33 3.061 -9.941 7.155 1.00 2.23 N ATOM 508 CA ALA A 33 2.426 -9.073 6.143 1.00 14.53 C ATOM 509 C ALA A 33 2.085 -7.706 6.747 1.00 30.03 C ATOM 510 O ALA A 33 2.300 -6.681 6.115 1.00 32.20 O ATOM 511 CB ALA A 33 1.158 -9.738 5.568 1.00 44.04 C ATOM 0 H ALA A 33 2.553 -10.810 7.318 1.00 2.23 H new ATOM 0 HA ALA A 33 3.135 -8.926 5.328 1.00 14.53 H new ATOM 0 HB1 ALA A 33 0.707 -9.080 4.825 1.00 44.04 H new ATOM 0 HB2 ALA A 33 1.424 -10.686 5.100 1.00 44.04 H new ATOM 0 HB3 ALA A 33 0.445 -9.918 6.373 1.00 44.04 H new ATOM 517 N LYS A 34 1.596 -7.708 8.004 1.00 22.04 N ATOM 518 CA LYS A 34 1.233 -6.478 8.723 1.00 70.01 C ATOM 519 C LYS A 34 2.471 -5.608 8.984 1.00 30.55 C ATOM 520 O LYS A 34 2.362 -4.385 9.024 1.00 63.10 O ATOM 521 CB LYS A 34 0.503 -6.787 10.059 1.00 62.33 C ATOM 522 CG LYS A 34 -0.827 -7.553 9.895 1.00 72.33 C ATOM 523 CD LYS A 34 -1.604 -7.706 11.224 1.00 14.15 C ATOM 524 CE LYS A 34 -0.810 -8.434 12.319 1.00 11.05 C ATOM 525 NZ LYS A 34 -1.592 -8.572 13.575 1.00 22.43 N ATOM 0 H LYS A 34 1.444 -8.560 8.544 1.00 22.04 H new ATOM 0 HA LYS A 34 0.545 -5.925 8.084 1.00 70.01 H new ATOM 0 HB2 LYS A 34 1.168 -7.370 10.696 1.00 62.33 H new ATOM 0 HB3 LYS A 34 0.306 -5.849 10.577 1.00 62.33 H new ATOM 0 HG2 LYS A 34 -1.454 -7.031 9.172 1.00 72.33 H new ATOM 0 HG3 LYS A 34 -0.622 -8.542 9.484 1.00 72.33 H new ATOM 0 HD2 LYS A 34 -1.885 -6.717 11.587 1.00 14.15 H new ATOM 0 HD3 LYS A 34 -2.529 -8.251 11.034 1.00 14.15 H new ATOM 0 HE2 LYS A 34 -0.521 -9.422 11.961 1.00 11.05 H new ATOM 0 HE3 LYS A 34 0.111 -7.888 12.523 1.00 11.05 H new ATOM 0 HZ1 LYS A 34 -1.020 -9.069 14.287 1.00 22.43 H new ATOM 0 HZ2 LYS A 34 -1.846 -7.629 13.931 1.00 22.43 H new ATOM 0 HZ3 LYS A 34 -2.458 -9.116 13.387 1.00 22.43 H new ATOM 539 N GLU A 35 3.647 -6.239 9.154 1.00 23.41 N ATOM 540 CA GLU A 35 4.905 -5.494 9.295 1.00 53.51 C ATOM 541 C GLU A 35 5.289 -4.870 7.939 1.00 51.05 C ATOM 542 O GLU A 35 5.659 -3.704 7.902 1.00 50.22 O ATOM 543 CB GLU A 35 6.047 -6.375 9.850 1.00 41.41 C ATOM 544 CG GLU A 35 7.334 -5.578 10.177 1.00 42.34 C ATOM 545 CD GLU A 35 8.483 -6.436 10.728 1.00 52.41 C ATOM 546 OE1 GLU A 35 8.555 -6.630 11.959 1.00 72.45 O ATOM 547 OE2 GLU A 35 9.330 -6.903 9.932 1.00 54.42 O ATOM 0 H GLU A 35 3.749 -7.253 9.196 1.00 23.41 H new ATOM 0 HA GLU A 35 4.749 -4.699 10.024 1.00 53.51 H new ATOM 0 HB2 GLU A 35 5.701 -6.879 10.752 1.00 41.41 H new ATOM 0 HB3 GLU A 35 6.284 -7.151 9.122 1.00 41.41 H new ATOM 0 HG2 GLU A 35 7.674 -5.072 9.273 1.00 42.34 H new ATOM 0 HG3 GLU A 35 7.093 -4.803 10.905 1.00 42.34 H new ATOM 554 N LEU A 36 5.160 -5.657 6.830 1.00 51.41 N ATOM 555 CA LEU A 36 5.360 -5.152 5.444 1.00 53.12 C ATOM 556 C LEU A 36 4.431 -3.954 5.149 1.00 62.20 C ATOM 557 O LEU A 36 4.785 -3.061 4.380 1.00 11.20 O ATOM 558 CB LEU A 36 5.124 -6.269 4.370 1.00 21.13 C ATOM 559 CG LEU A 36 6.310 -7.242 4.059 1.00 54.30 C ATOM 560 CD1 LEU A 36 7.628 -6.478 3.825 1.00 22.43 C ATOM 561 CD2 LEU A 36 6.470 -8.349 5.112 1.00 23.30 C ATOM 0 H LEU A 36 4.917 -6.647 6.874 1.00 51.41 H new ATOM 0 HA LEU A 36 6.399 -4.828 5.380 1.00 53.12 H new ATOM 0 HB2 LEU A 36 4.273 -6.870 4.692 1.00 21.13 H new ATOM 0 HB3 LEU A 36 4.836 -5.783 3.438 1.00 21.13 H new ATOM 0 HG LEU A 36 6.054 -7.747 3.127 1.00 54.30 H new ATOM 0 HD11 LEU A 36 8.427 -7.188 3.612 1.00 22.43 H new ATOM 0 HD12 LEU A 36 7.510 -5.800 2.980 1.00 22.43 H new ATOM 0 HD13 LEU A 36 7.880 -5.905 4.717 1.00 22.43 H new ATOM 0 HD21 LEU A 36 7.308 -8.991 4.841 1.00 23.30 H new ATOM 0 HD22 LEU A 36 6.658 -7.899 6.087 1.00 23.30 H new ATOM 0 HD23 LEU A 36 5.557 -8.943 5.157 1.00 23.30 H new ATOM 573 N LEU A 37 3.243 -3.984 5.761 1.00 61.33 N ATOM 574 CA LEU A 37 2.236 -2.918 5.670 1.00 61.21 C ATOM 575 C LEU A 37 2.798 -1.610 6.239 1.00 63.01 C ATOM 576 O LEU A 37 2.732 -0.569 5.580 1.00 55.23 O ATOM 577 CB LEU A 37 0.954 -3.395 6.412 1.00 1.25 C ATOM 578 CG LEU A 37 -0.270 -2.422 6.552 1.00 65.22 C ATOM 579 CD1 LEU A 37 -1.581 -3.223 6.680 1.00 62.22 C ATOM 580 CD2 LEU A 37 -0.122 -1.463 7.765 1.00 10.32 C ATOM 0 H LEU A 37 2.947 -4.765 6.346 1.00 61.33 H new ATOM 0 HA LEU A 37 1.976 -2.714 4.631 1.00 61.21 H new ATOM 0 HB2 LEU A 37 0.600 -4.293 5.906 1.00 1.25 H new ATOM 0 HB3 LEU A 37 1.251 -3.692 7.418 1.00 1.25 H new ATOM 0 HG LEU A 37 -0.299 -1.813 5.648 1.00 65.22 H new ATOM 0 HD11 LEU A 37 -2.420 -2.534 6.776 1.00 62.22 H new ATOM 0 HD12 LEU A 37 -1.718 -3.840 5.792 1.00 62.22 H new ATOM 0 HD13 LEU A 37 -1.533 -3.861 7.562 1.00 62.22 H new ATOM 0 HD21 LEU A 37 -0.993 -0.809 7.820 1.00 10.32 H new ATOM 0 HD22 LEU A 37 -0.047 -2.046 8.683 1.00 10.32 H new ATOM 0 HD23 LEU A 37 0.778 -0.859 7.644 1.00 10.32 H new ATOM 592 N LYS A 38 3.348 -1.682 7.472 1.00 13.22 N ATOM 593 CA LYS A 38 3.958 -0.520 8.129 1.00 64.13 C ATOM 594 C LYS A 38 5.273 -0.122 7.437 1.00 43.53 C ATOM 595 O LYS A 38 5.611 1.044 7.442 1.00 72.04 O ATOM 596 CB LYS A 38 4.184 -0.737 9.657 1.00 10.21 C ATOM 597 CG LYS A 38 2.925 -0.519 10.549 1.00 44.35 C ATOM 598 CD LYS A 38 2.114 -1.802 10.814 1.00 64.44 C ATOM 599 CE LYS A 38 2.892 -2.827 11.662 1.00 74.23 C ATOM 600 NZ LYS A 38 3.236 -2.300 13.008 1.00 4.42 N ATOM 0 H LYS A 38 3.378 -2.537 8.027 1.00 13.22 H new ATOM 0 HA LYS A 38 3.246 0.299 8.029 1.00 64.13 H new ATOM 0 HB2 LYS A 38 4.550 -1.752 9.814 1.00 10.21 H new ATOM 0 HB3 LYS A 38 4.969 -0.060 9.992 1.00 10.21 H new ATOM 0 HG2 LYS A 38 3.238 -0.096 11.504 1.00 44.35 H new ATOM 0 HG3 LYS A 38 2.277 0.216 10.071 1.00 44.35 H new ATOM 0 HD2 LYS A 38 1.186 -1.543 11.324 1.00 64.44 H new ATOM 0 HD3 LYS A 38 1.838 -2.257 9.863 1.00 64.44 H new ATOM 0 HE2 LYS A 38 2.296 -3.733 11.770 1.00 74.23 H new ATOM 0 HE3 LYS A 38 3.806 -3.108 11.140 1.00 74.23 H new ATOM 0 HZ1 LYS A 38 3.605 -3.072 13.599 1.00 4.42 H new ATOM 0 HZ2 LYS A 38 3.959 -1.559 12.916 1.00 4.42 H new ATOM 0 HZ3 LYS A 38 2.385 -1.900 13.452 1.00 4.42 H new ATOM 614 N LYS A 39 6.009 -1.089 6.845 1.00 44.12 N ATOM 615 CA LYS A 39 7.265 -0.792 6.118 1.00 62.04 C ATOM 616 C LYS A 39 6.958 0.110 4.917 1.00 32.24 C ATOM 617 O LYS A 39 7.569 1.159 4.763 1.00 31.33 O ATOM 618 CB LYS A 39 8.003 -2.086 5.667 1.00 21.40 C ATOM 619 CG LYS A 39 8.536 -2.956 6.831 1.00 24.11 C ATOM 620 CD LYS A 39 9.602 -2.239 7.706 1.00 55.31 C ATOM 621 CE LYS A 39 10.017 -3.077 8.938 1.00 55.15 C ATOM 622 NZ LYS A 39 10.557 -4.421 8.571 1.00 60.22 N ATOM 0 H LYS A 39 5.757 -2.077 6.856 1.00 44.12 H new ATOM 0 HA LYS A 39 7.938 -0.272 6.800 1.00 62.04 H new ATOM 0 HB2 LYS A 39 7.323 -2.686 5.063 1.00 21.40 H new ATOM 0 HB3 LYS A 39 8.839 -1.808 5.025 1.00 21.40 H new ATOM 0 HG2 LYS A 39 7.700 -3.254 7.463 1.00 24.11 H new ATOM 0 HG3 LYS A 39 8.968 -3.870 6.423 1.00 24.11 H new ATOM 0 HD2 LYS A 39 10.483 -2.029 7.100 1.00 55.31 H new ATOM 0 HD3 LYS A 39 9.208 -1.279 8.039 1.00 55.31 H new ATOM 0 HE2 LYS A 39 10.770 -2.531 9.506 1.00 55.15 H new ATOM 0 HE3 LYS A 39 9.155 -3.204 9.592 1.00 55.15 H new ATOM 0 HZ1 LYS A 39 9.904 -5.160 8.901 1.00 60.22 H new ATOM 0 HZ2 LYS A 39 10.658 -4.484 7.538 1.00 60.22 H new ATOM 0 HZ3 LYS A 39 11.486 -4.556 9.018 1.00 60.22 H new ATOM 636 N VAL A 40 5.950 -0.294 4.119 1.00 23.11 N ATOM 637 CA VAL A 40 5.457 0.481 2.967 1.00 43.42 C ATOM 638 C VAL A 40 4.916 1.854 3.408 1.00 1.13 C ATOM 639 O VAL A 40 5.234 2.875 2.793 1.00 22.40 O ATOM 640 CB VAL A 40 4.343 -0.322 2.184 1.00 23.23 C ATOM 641 CG1 VAL A 40 3.586 0.556 1.155 1.00 73.22 C ATOM 642 CG2 VAL A 40 4.959 -1.555 1.486 1.00 11.25 C ATOM 0 H VAL A 40 5.453 -1.174 4.258 1.00 23.11 H new ATOM 0 HA VAL A 40 6.301 0.648 2.297 1.00 43.42 H new ATOM 0 HB VAL A 40 3.611 -0.651 2.922 1.00 23.23 H new ATOM 0 HG11 VAL A 40 2.833 -0.046 0.647 1.00 73.22 H new ATOM 0 HG12 VAL A 40 3.100 1.384 1.671 1.00 73.22 H new ATOM 0 HG13 VAL A 40 4.292 0.949 0.423 1.00 73.22 H new ATOM 0 HG21 VAL A 40 4.179 -2.098 0.951 1.00 11.25 H new ATOM 0 HG22 VAL A 40 5.724 -1.230 0.781 1.00 11.25 H new ATOM 0 HG23 VAL A 40 5.409 -2.209 2.233 1.00 11.25 H new ATOM 652 N ALA A 41 4.111 1.852 4.490 1.00 14.33 N ATOM 653 CA ALA A 41 3.469 3.064 5.021 1.00 2.31 C ATOM 654 C ALA A 41 4.508 4.097 5.497 1.00 21.12 C ATOM 655 O ALA A 41 4.380 5.282 5.210 1.00 20.34 O ATOM 656 CB ALA A 41 2.498 2.698 6.163 1.00 42.40 C ATOM 0 H ALA A 41 3.890 1.008 5.018 1.00 14.33 H new ATOM 0 HA ALA A 41 2.902 3.524 4.211 1.00 2.31 H new ATOM 0 HB1 ALA A 41 2.030 3.604 6.547 1.00 42.40 H new ATOM 0 HB2 ALA A 41 1.729 2.024 5.785 1.00 42.40 H new ATOM 0 HB3 ALA A 41 3.048 2.206 6.965 1.00 42.40 H new ATOM 662 N GLU A 42 5.540 3.611 6.213 1.00 74.02 N ATOM 663 CA GLU A 42 6.604 4.445 6.801 1.00 13.52 C ATOM 664 C GLU A 42 7.629 4.914 5.744 1.00 43.40 C ATOM 665 O GLU A 42 8.202 6.001 5.884 1.00 40.54 O ATOM 666 CB GLU A 42 7.304 3.682 7.963 1.00 21.33 C ATOM 667 CG GLU A 42 6.392 3.437 9.191 1.00 52.33 C ATOM 668 CD GLU A 42 7.043 2.580 10.300 1.00 65.51 C ATOM 669 OE1 GLU A 42 8.127 2.956 10.787 1.00 15.42 O ATOM 670 OE2 GLU A 42 6.458 1.555 10.714 1.00 35.10 O ATOM 0 H GLU A 42 5.659 2.616 6.401 1.00 74.02 H new ATOM 0 HA GLU A 42 6.136 5.344 7.203 1.00 13.52 H new ATOM 0 HB2 GLU A 42 7.662 2.722 7.591 1.00 21.33 H new ATOM 0 HB3 GLU A 42 8.180 4.247 8.280 1.00 21.33 H new ATOM 0 HG2 GLU A 42 6.103 4.399 9.613 1.00 52.33 H new ATOM 0 HG3 GLU A 42 5.477 2.947 8.858 1.00 52.33 H new ATOM 677 N LYS A 43 7.887 4.075 4.712 1.00 53.01 N ATOM 678 CA LYS A 43 8.765 4.454 3.575 1.00 44.20 C ATOM 679 C LYS A 43 8.092 5.550 2.754 1.00 61.31 C ATOM 680 O LYS A 43 8.733 6.535 2.395 1.00 45.13 O ATOM 681 CB LYS A 43 9.106 3.241 2.655 1.00 11.41 C ATOM 682 CG LYS A 43 10.054 2.200 3.286 1.00 73.22 C ATOM 683 CD LYS A 43 11.432 2.782 3.686 1.00 3.55 C ATOM 684 CE LYS A 43 12.362 1.718 4.286 1.00 44.41 C ATOM 685 NZ LYS A 43 13.677 2.290 4.672 1.00 63.23 N ATOM 0 H LYS A 43 7.501 3.133 4.642 1.00 53.01 H new ATOM 0 HA LYS A 43 9.704 4.817 3.993 1.00 44.20 H new ATOM 0 HB2 LYS A 43 8.178 2.744 2.374 1.00 11.41 H new ATOM 0 HB3 LYS A 43 9.559 3.615 1.737 1.00 11.41 H new ATOM 0 HG2 LYS A 43 9.578 1.775 4.169 1.00 73.22 H new ATOM 0 HG3 LYS A 43 10.205 1.383 2.581 1.00 73.22 H new ATOM 0 HD2 LYS A 43 11.906 3.223 2.809 1.00 3.55 H new ATOM 0 HD3 LYS A 43 11.289 3.585 4.409 1.00 3.55 H new ATOM 0 HE2 LYS A 43 11.888 1.273 5.161 1.00 44.41 H new ATOM 0 HE3 LYS A 43 12.512 0.917 3.562 1.00 44.41 H new ATOM 0 HZ1 LYS A 43 14.277 1.541 5.073 1.00 63.23 H new ATOM 0 HZ2 LYS A 43 14.140 2.693 3.832 1.00 63.23 H new ATOM 0 HZ3 LYS A 43 13.536 3.037 5.381 1.00 63.23 H new ATOM 699 N ALA A 44 6.785 5.359 2.485 1.00 41.55 N ATOM 700 CA ALA A 44 5.961 6.336 1.769 1.00 75.21 C ATOM 701 C ALA A 44 5.888 7.639 2.570 1.00 10.12 C ATOM 702 O ALA A 44 6.066 8.705 2.005 1.00 43.33 O ATOM 703 CB ALA A 44 4.553 5.773 1.496 1.00 53.14 C ATOM 0 H ALA A 44 6.276 4.519 2.761 1.00 41.55 H new ATOM 0 HA ALA A 44 6.422 6.546 0.804 1.00 75.21 H new ATOM 0 HB1 ALA A 44 3.961 6.517 0.964 1.00 53.14 H new ATOM 0 HB2 ALA A 44 4.633 4.871 0.889 1.00 53.14 H new ATOM 0 HB3 ALA A 44 4.068 5.532 2.442 1.00 53.14 H new ATOM 709 N ALA A 45 5.684 7.519 3.902 1.00 13.30 N ATOM 710 CA ALA A 45 5.604 8.671 4.828 1.00 51.04 C ATOM 711 C ALA A 45 6.913 9.491 4.822 1.00 25.22 C ATOM 712 O ALA A 45 6.889 10.726 4.926 1.00 33.11 O ATOM 713 CB ALA A 45 5.263 8.197 6.250 1.00 41.24 C ATOM 0 H ALA A 45 5.570 6.618 4.366 1.00 13.30 H new ATOM 0 HA ALA A 45 4.804 9.325 4.480 1.00 51.04 H new ATOM 0 HB1 ALA A 45 5.208 9.057 6.917 1.00 41.24 H new ATOM 0 HB2 ALA A 45 4.302 7.683 6.241 1.00 41.24 H new ATOM 0 HB3 ALA A 45 6.037 7.514 6.601 1.00 41.24 H new ATOM 719 N ASP A 46 8.041 8.770 4.695 1.00 11.10 N ATOM 720 CA ASP A 46 9.391 9.352 4.573 1.00 53.11 C ATOM 721 C ASP A 46 9.540 10.105 3.234 1.00 50.42 C ATOM 722 O ASP A 46 10.180 11.162 3.174 1.00 44.21 O ATOM 723 CB ASP A 46 10.455 8.221 4.677 1.00 74.11 C ATOM 724 CG ASP A 46 11.893 8.664 4.339 1.00 20.45 C ATOM 725 OD1 ASP A 46 12.568 9.257 5.211 1.00 70.05 O ATOM 726 OD2 ASP A 46 12.353 8.432 3.195 1.00 33.43 O ATOM 0 H ASP A 46 8.041 7.750 4.674 1.00 11.10 H new ATOM 0 HA ASP A 46 9.543 10.066 5.382 1.00 53.11 H new ATOM 0 HB2 ASP A 46 10.441 7.818 5.690 1.00 74.11 H new ATOM 0 HB3 ASP A 46 10.171 7.409 4.007 1.00 74.11 H new ATOM 731 N LYS A 47 8.960 9.534 2.161 1.00 32.34 N ATOM 732 CA LYS A 47 9.001 10.132 0.813 1.00 41.24 C ATOM 733 C LYS A 47 8.096 11.365 0.738 1.00 14.24 C ATOM 734 O LYS A 47 8.389 12.282 -0.013 1.00 51.12 O ATOM 735 CB LYS A 47 8.612 9.097 -0.275 1.00 63.22 C ATOM 736 CG LYS A 47 9.549 7.872 -0.336 1.00 23.41 C ATOM 737 CD LYS A 47 11.042 8.256 -0.528 1.00 25.23 C ATOM 738 CE LYS A 47 11.988 7.058 -0.334 1.00 25.21 C ATOM 739 NZ LYS A 47 11.693 5.944 -1.276 1.00 64.51 N ATOM 0 H LYS A 47 8.453 8.650 2.203 1.00 32.34 H new ATOM 0 HA LYS A 47 10.026 10.447 0.620 1.00 41.24 H new ATOM 0 HB2 LYS A 47 7.594 8.755 -0.089 1.00 63.22 H new ATOM 0 HB3 LYS A 47 8.610 9.590 -1.247 1.00 63.22 H new ATOM 0 HG2 LYS A 47 9.444 7.295 0.583 1.00 23.41 H new ATOM 0 HG3 LYS A 47 9.238 7.225 -1.156 1.00 23.41 H new ATOM 0 HD2 LYS A 47 11.182 8.668 -1.528 1.00 25.23 H new ATOM 0 HD3 LYS A 47 11.306 9.042 0.180 1.00 25.23 H new ATOM 0 HE2 LYS A 47 13.018 7.386 -0.474 1.00 25.21 H new ATOM 0 HE3 LYS A 47 11.905 6.695 0.691 1.00 25.21 H new ATOM 0 HZ1 LYS A 47 12.583 5.576 -1.668 1.00 64.51 H new ATOM 0 HZ2 LYS A 47 11.197 5.183 -0.769 1.00 64.51 H new ATOM 0 HZ3 LYS A 47 11.092 6.293 -2.050 1.00 64.51 H new ATOM 753 N ILE A 48 7.007 11.364 1.537 1.00 71.42 N ATOM 754 CA ILE A 48 6.089 12.515 1.694 1.00 34.01 C ATOM 755 C ILE A 48 6.812 13.657 2.426 1.00 32.23 C ATOM 756 O ILE A 48 6.627 14.839 2.097 1.00 5.11 O ATOM 757 CB ILE A 48 4.785 12.094 2.481 1.00 30.24 C ATOM 758 CG1 ILE A 48 4.011 10.989 1.701 1.00 34.03 C ATOM 759 CG2 ILE A 48 3.859 13.310 2.774 1.00 4.11 C ATOM 760 CD1 ILE A 48 3.072 10.140 2.543 1.00 61.13 C ATOM 0 H ILE A 48 6.737 10.556 2.097 1.00 71.42 H new ATOM 0 HA ILE A 48 5.787 12.858 0.704 1.00 34.01 H new ATOM 0 HB ILE A 48 5.101 11.692 3.443 1.00 30.24 H new ATOM 0 HG12 ILE A 48 3.433 11.464 0.908 1.00 34.03 H new ATOM 0 HG13 ILE A 48 4.735 10.332 1.219 1.00 34.03 H new ATOM 0 HG21 ILE A 48 2.976 12.972 3.316 1.00 4.11 H new ATOM 0 HG22 ILE A 48 4.398 14.041 3.377 1.00 4.11 H new ATOM 0 HG23 ILE A 48 3.554 13.770 1.834 1.00 4.11 H new ATOM 0 HD11 ILE A 48 2.582 9.402 1.909 1.00 61.13 H new ATOM 0 HD12 ILE A 48 3.641 9.630 3.320 1.00 61.13 H new ATOM 0 HD13 ILE A 48 2.319 10.779 3.005 1.00 61.13 H new ATOM 772 N LYS A 49 7.655 13.278 3.404 1.00 45.44 N ATOM 773 CA LYS A 49 8.508 14.220 4.145 1.00 65.52 C ATOM 774 C LYS A 49 9.560 14.853 3.195 1.00 71.33 C ATOM 775 O LYS A 49 9.995 15.990 3.400 1.00 5.23 O ATOM 776 CB LYS A 49 9.180 13.479 5.333 1.00 64.31 C ATOM 777 CG LYS A 49 10.210 14.310 6.131 1.00 14.24 C ATOM 778 CD LYS A 49 10.816 13.531 7.322 1.00 44.45 C ATOM 779 CE LYS A 49 12.061 14.216 7.919 1.00 13.22 C ATOM 780 NZ LYS A 49 11.785 15.593 8.416 1.00 10.20 N ATOM 0 H LYS A 49 7.763 12.308 3.702 1.00 45.44 H new ATOM 0 HA LYS A 49 7.901 15.032 4.546 1.00 65.52 H new ATOM 0 HB2 LYS A 49 8.401 13.142 6.017 1.00 64.31 H new ATOM 0 HB3 LYS A 49 9.676 12.587 4.950 1.00 64.31 H new ATOM 0 HG2 LYS A 49 11.012 14.625 5.463 1.00 14.24 H new ATOM 0 HG3 LYS A 49 9.730 15.216 6.502 1.00 14.24 H new ATOM 0 HD2 LYS A 49 10.060 13.422 8.100 1.00 44.45 H new ATOM 0 HD3 LYS A 49 11.083 12.527 6.994 1.00 44.45 H new ATOM 0 HE2 LYS A 49 12.444 13.609 8.740 1.00 13.22 H new ATOM 0 HE3 LYS A 49 12.844 14.259 7.162 1.00 13.22 H new ATOM 0 HZ1 LYS A 49 12.658 16.003 8.806 1.00 10.20 H new ATOM 0 HZ2 LYS A 49 11.445 16.184 7.631 1.00 10.20 H new ATOM 0 HZ3 LYS A 49 11.059 15.555 9.159 1.00 10.20 H new ATOM 794 N LYS A 50 9.959 14.095 2.159 1.00 32.24 N ATOM 795 CA LYS A 50 10.895 14.571 1.116 1.00 71.04 C ATOM 796 C LYS A 50 10.164 15.345 -0.013 1.00 51.52 C ATOM 797 O LYS A 50 10.748 16.251 -0.632 1.00 33.53 O ATOM 798 CB LYS A 50 11.688 13.366 0.539 1.00 72.42 C ATOM 799 CG LYS A 50 12.699 12.761 1.536 1.00 13.41 C ATOM 800 CD LYS A 50 13.431 11.520 0.978 1.00 1.21 C ATOM 801 CE LYS A 50 14.603 11.069 1.874 1.00 75.42 C ATOM 802 NZ LYS A 50 14.175 10.794 3.271 1.00 63.13 N ATOM 0 H LYS A 50 9.644 13.135 2.018 1.00 32.24 H new ATOM 0 HA LYS A 50 11.590 15.272 1.578 1.00 71.04 H new ATOM 0 HB2 LYS A 50 10.985 12.592 0.232 1.00 72.42 H new ATOM 0 HB3 LYS A 50 12.220 13.687 -0.357 1.00 72.42 H new ATOM 0 HG2 LYS A 50 13.435 13.520 1.804 1.00 13.41 H new ATOM 0 HG3 LYS A 50 12.177 12.486 2.452 1.00 13.41 H new ATOM 0 HD2 LYS A 50 12.721 10.700 0.875 1.00 1.21 H new ATOM 0 HD3 LYS A 50 13.807 11.743 -0.020 1.00 1.21 H new ATOM 0 HE2 LYS A 50 15.055 10.171 1.452 1.00 75.42 H new ATOM 0 HE3 LYS A 50 15.372 11.841 1.878 1.00 75.42 H new ATOM 0 HZ1 LYS A 50 15.005 10.544 3.846 1.00 63.13 H new ATOM 0 HZ2 LYS A 50 13.722 11.641 3.668 1.00 63.13 H new ATOM 0 HZ3 LYS A 50 13.499 10.004 3.278 1.00 63.13 H new ATOM 816 N GLN A 51 8.896 14.959 -0.264 1.00 44.43 N ATOM 817 CA GLN A 51 8.040 15.493 -1.352 1.00 32.12 C ATOM 818 C GLN A 51 6.657 14.818 -1.254 1.00 33.50 C ATOM 819 O GLN A 51 6.556 13.609 -1.458 1.00 30.31 O ATOM 820 CB GLN A 51 8.676 15.235 -2.755 1.00 32.13 C ATOM 821 CG GLN A 51 7.856 15.725 -3.973 1.00 24.42 C ATOM 822 CD GLN A 51 7.415 17.193 -3.887 1.00 34.20 C ATOM 823 OE1 GLN A 51 6.317 17.502 -3.426 1.00 51.04 O ATOM 824 NE2 GLN A 51 8.283 18.108 -4.302 1.00 23.52 N ATOM 0 H GLN A 51 8.424 14.250 0.297 1.00 44.43 H new ATOM 0 HA GLN A 51 7.942 16.573 -1.238 1.00 32.12 H new ATOM 0 HB2 GLN A 51 9.653 15.717 -2.783 1.00 32.13 H new ATOM 0 HB3 GLN A 51 8.845 14.164 -2.864 1.00 32.13 H new ATOM 0 HG2 GLN A 51 8.451 15.589 -4.876 1.00 24.42 H new ATOM 0 HG3 GLN A 51 6.971 15.097 -4.077 1.00 24.42 H new ATOM 0 HE21 GLN A 51 9.186 17.820 -4.680 1.00 23.52 H new ATOM 0 HE22 GLN A 51 8.047 19.099 -4.243 1.00 23.52 H new ATOM 833 N GLY A 52 5.616 15.606 -0.923 1.00 74.22 N ATOM 834 CA GLY A 52 4.265 15.077 -0.675 1.00 12.22 C ATOM 835 C GLY A 52 3.737 14.221 -1.827 1.00 41.35 C ATOM 836 O GLY A 52 3.578 14.733 -2.946 1.00 71.33 O ATOM 0 H GLY A 52 5.688 16.618 -0.821 1.00 74.22 H new ATOM 0 HA2 GLY A 52 4.276 14.481 0.238 1.00 12.22 H new ATOM 0 HA3 GLY A 52 3.581 15.908 -0.504 1.00 12.22 H new ATOM 840 N CYS A 53 3.517 12.904 -1.563 1.00 3.04 N ATOM 841 CA CYS A 53 3.057 11.942 -2.582 1.00 53.52 C ATOM 842 C CYS A 53 1.641 12.302 -3.051 1.00 53.13 C ATOM 843 O CYS A 53 0.650 11.974 -2.398 1.00 30.50 O ATOM 844 CB CYS A 53 3.112 10.490 -2.040 1.00 64.12 C ATOM 845 SG CYS A 53 2.008 10.150 -0.643 1.00 31.10 S ATOM 0 H CYS A 53 3.655 12.489 -0.641 1.00 3.04 H new ATOM 0 HA CYS A 53 3.728 12.000 -3.439 1.00 53.52 H new ATOM 0 HB2 CYS A 53 2.867 9.806 -2.852 1.00 64.12 H new ATOM 0 HB3 CYS A 53 4.136 10.270 -1.736 1.00 64.12 H new ATOM 0 HG CYS A 53 0.892 10.797 -0.804 1.00 31.10 H new ATOM 851 N LYS A 54 1.578 13.041 -4.168 1.00 53.14 N ATOM 852 CA LYS A 54 0.316 13.547 -4.729 1.00 13.45 C ATOM 853 C LYS A 54 -0.578 12.399 -5.227 1.00 24.20 C ATOM 854 O LYS A 54 -1.811 12.517 -5.248 1.00 5.12 O ATOM 855 CB LYS A 54 0.611 14.570 -5.851 1.00 44.33 C ATOM 856 CG LYS A 54 1.483 15.768 -5.391 1.00 44.42 C ATOM 857 CD LYS A 54 1.599 16.909 -6.435 1.00 31.31 C ATOM 858 CE LYS A 54 0.324 17.774 -6.563 1.00 50.44 C ATOM 859 NZ LYS A 54 -0.838 17.030 -7.120 1.00 0.44 N ATOM 0 H LYS A 54 2.401 13.305 -4.709 1.00 53.14 H new ATOM 0 HA LYS A 54 -0.237 14.055 -3.939 1.00 13.45 H new ATOM 0 HB2 LYS A 54 1.115 14.060 -6.672 1.00 44.33 H new ATOM 0 HB3 LYS A 54 -0.333 14.949 -6.242 1.00 44.33 H new ATOM 0 HG2 LYS A 54 1.065 16.175 -4.470 1.00 44.42 H new ATOM 0 HG3 LYS A 54 2.483 15.405 -5.154 1.00 44.42 H new ATOM 0 HD2 LYS A 54 2.437 17.552 -6.164 1.00 31.31 H new ATOM 0 HD3 LYS A 54 1.831 16.476 -7.408 1.00 31.31 H new ATOM 0 HE2 LYS A 54 0.059 18.166 -5.581 1.00 50.44 H new ATOM 0 HE3 LYS A 54 0.537 18.631 -7.201 1.00 50.44 H new ATOM 0 HZ1 LYS A 54 -1.425 17.676 -7.685 1.00 0.44 H new ATOM 0 HZ2 LYS A 54 -0.497 16.255 -7.723 1.00 0.44 H new ATOM 0 HZ3 LYS A 54 -1.405 16.639 -6.341 1.00 0.44 H new ATOM 873 N ARG A 55 0.061 11.284 -5.601 1.00 40.32 N ATOM 874 CA ARG A 55 -0.618 10.065 -6.033 1.00 2.04 C ATOM 875 C ARG A 55 0.274 8.861 -5.712 1.00 63.12 C ATOM 876 O ARG A 55 1.440 8.825 -6.104 1.00 40.23 O ATOM 877 CB ARG A 55 -0.941 10.137 -7.549 1.00 65.21 C ATOM 878 CG ARG A 55 -1.769 8.951 -8.101 1.00 62.31 C ATOM 879 CD ARG A 55 -2.123 9.138 -9.587 1.00 22.22 C ATOM 880 NE ARG A 55 -3.013 8.079 -10.102 1.00 41.31 N ATOM 881 CZ ARG A 55 -4.235 8.281 -10.635 1.00 74.24 C ATOM 882 NH1 ARG A 55 -4.750 9.509 -10.724 1.00 43.42 N ATOM 883 NH2 ARG A 55 -4.917 7.255 -11.106 1.00 73.15 N ATOM 0 H ARG A 55 1.078 11.206 -5.611 1.00 40.32 H new ATOM 0 HA ARG A 55 -1.563 9.958 -5.501 1.00 2.04 H new ATOM 0 HB2 ARG A 55 -1.484 11.062 -7.745 1.00 65.21 H new ATOM 0 HB3 ARG A 55 -0.004 10.194 -8.102 1.00 65.21 H new ATOM 0 HG2 ARG A 55 -1.206 8.026 -7.976 1.00 62.31 H new ATOM 0 HG3 ARG A 55 -2.685 8.847 -7.520 1.00 62.31 H new ATOM 0 HD2 ARG A 55 -2.603 10.107 -9.722 1.00 22.22 H new ATOM 0 HD3 ARG A 55 -1.205 9.153 -10.175 1.00 22.22 H new ATOM 0 HE ARG A 55 -2.677 7.117 -10.051 1.00 41.31 H new ATOM 0 HH11 ARG A 55 -4.218 10.311 -10.386 1.00 43.42 H new ATOM 0 HH12 ARG A 55 -5.676 9.646 -11.130 1.00 43.42 H new ATOM 0 HH21 ARG A 55 -4.519 6.317 -11.066 1.00 73.15 H new ATOM 0 HH22 ARG A 55 -5.842 7.400 -11.511 1.00 73.15 H new ATOM 897 N VAL A 56 -0.287 7.893 -4.990 1.00 71.32 N ATOM 898 CA VAL A 56 0.371 6.626 -4.645 1.00 30.03 C ATOM 899 C VAL A 56 -0.294 5.530 -5.472 1.00 62.32 C ATOM 900 O VAL A 56 -1.474 5.651 -5.801 1.00 14.12 O ATOM 901 CB VAL A 56 0.223 6.298 -3.107 1.00 51.44 C ATOM 902 CG1 VAL A 56 0.922 4.967 -2.725 1.00 14.42 C ATOM 903 CG2 VAL A 56 0.748 7.463 -2.243 1.00 45.55 C ATOM 0 H VAL A 56 -1.234 7.966 -4.618 1.00 71.32 H new ATOM 0 HA VAL A 56 1.437 6.695 -4.860 1.00 30.03 H new ATOM 0 HB VAL A 56 -0.841 6.172 -2.906 1.00 51.44 H new ATOM 0 HG11 VAL A 56 0.794 4.782 -1.658 1.00 14.42 H new ATOM 0 HG12 VAL A 56 0.479 4.148 -3.291 1.00 14.42 H new ATOM 0 HG13 VAL A 56 1.985 5.035 -2.957 1.00 14.42 H new ATOM 0 HG21 VAL A 56 0.635 7.213 -1.188 1.00 45.55 H new ATOM 0 HG22 VAL A 56 1.801 7.635 -2.465 1.00 45.55 H new ATOM 0 HG23 VAL A 56 0.179 8.366 -2.465 1.00 45.55 H new ATOM 913 N LYS A 57 0.469 4.509 -5.865 1.00 53.31 N ATOM 914 CA LYS A 57 -0.042 3.371 -6.654 1.00 74.23 C ATOM 915 C LYS A 57 0.372 2.048 -5.993 1.00 3.55 C ATOM 916 O LYS A 57 1.429 1.955 -5.362 1.00 43.40 O ATOM 917 CB LYS A 57 0.483 3.440 -8.111 1.00 31.44 C ATOM 918 CG LYS A 57 0.120 4.736 -8.863 1.00 42.42 C ATOM 919 CD LYS A 57 0.527 4.693 -10.351 1.00 61.15 C ATOM 920 CE LYS A 57 0.284 6.027 -11.072 1.00 10.23 C ATOM 921 NZ LYS A 57 1.161 7.106 -10.546 1.00 43.14 N ATOM 0 H LYS A 57 1.463 4.441 -5.648 1.00 53.31 H new ATOM 0 HA LYS A 57 -1.130 3.423 -6.683 1.00 74.23 H new ATOM 0 HB2 LYS A 57 1.568 3.335 -8.098 1.00 31.44 H new ATOM 0 HB3 LYS A 57 0.087 2.590 -8.667 1.00 31.44 H new ATOM 0 HG2 LYS A 57 -0.954 4.906 -8.789 1.00 42.42 H new ATOM 0 HG3 LYS A 57 0.611 5.581 -8.380 1.00 42.42 H new ATOM 0 HD2 LYS A 57 1.582 4.431 -10.427 1.00 61.15 H new ATOM 0 HD3 LYS A 57 -0.034 3.906 -10.854 1.00 61.15 H new ATOM 0 HE2 LYS A 57 0.463 5.901 -12.140 1.00 10.23 H new ATOM 0 HE3 LYS A 57 -0.760 6.318 -10.956 1.00 10.23 H new ATOM 0 HZ1 LYS A 57 0.582 7.811 -10.047 1.00 43.14 H new ATOM 0 HZ2 LYS A 57 1.855 6.699 -9.887 1.00 43.14 H new ATOM 0 HZ3 LYS A 57 1.660 7.564 -11.335 1.00 43.14 H new ATOM 935 N ILE A 58 -0.494 1.039 -6.120 1.00 73.22 N ATOM 936 CA ILE A 58 -0.276 -0.322 -5.600 1.00 73.45 C ATOM 937 C ILE A 58 -0.747 -1.315 -6.668 1.00 45.44 C ATOM 938 O ILE A 58 -1.901 -1.240 -7.115 1.00 34.53 O ATOM 939 CB ILE A 58 -1.062 -0.568 -4.244 1.00 71.53 C ATOM 940 CG1 ILE A 58 -0.478 0.307 -3.082 1.00 41.23 C ATOM 941 CG2 ILE A 58 -1.115 -2.069 -3.851 1.00 72.15 C ATOM 942 CD1 ILE A 58 -1.199 0.188 -1.742 1.00 5.31 C ATOM 0 H ILE A 58 -1.389 1.144 -6.598 1.00 73.22 H new ATOM 0 HA ILE A 58 0.784 -0.457 -5.382 1.00 73.45 H new ATOM 0 HB ILE A 58 -2.092 -0.255 -4.417 1.00 71.53 H new ATOM 0 HG12 ILE A 58 0.568 0.036 -2.937 1.00 41.23 H new ATOM 0 HG13 ILE A 58 -0.496 1.352 -3.393 1.00 41.23 H new ATOM 0 HG21 ILE A 58 -1.664 -2.181 -2.916 1.00 72.15 H new ATOM 0 HG22 ILE A 58 -1.617 -2.633 -4.637 1.00 72.15 H new ATOM 0 HG23 ILE A 58 -0.101 -2.448 -3.724 1.00 72.15 H new ATOM 0 HD11 ILE A 58 -0.715 0.834 -1.010 1.00 5.31 H new ATOM 0 HD12 ILE A 58 -2.239 0.491 -1.861 1.00 5.31 H new ATOM 0 HD13 ILE A 58 -1.159 -0.845 -1.398 1.00 5.31 H new ATOM 954 N ARG A 59 0.144 -2.221 -7.092 1.00 43.24 N ATOM 955 CA ARG A 59 -0.207 -3.330 -7.986 1.00 71.55 C ATOM 956 C ARG A 59 -0.121 -4.645 -7.200 1.00 41.42 C ATOM 957 O ARG A 59 0.892 -4.927 -6.547 1.00 41.22 O ATOM 958 CB ARG A 59 0.728 -3.397 -9.233 1.00 50.22 C ATOM 959 CG ARG A 59 0.292 -4.462 -10.276 1.00 60.34 C ATOM 960 CD ARG A 59 1.248 -4.599 -11.472 1.00 24.25 C ATOM 961 NE ARG A 59 0.675 -5.466 -12.532 1.00 62.00 N ATOM 962 CZ ARG A 59 1.260 -6.561 -13.063 1.00 52.41 C ATOM 963 NH1 ARG A 59 2.461 -6.967 -12.657 1.00 50.52 N ATOM 964 NH2 ARG A 59 0.632 -7.253 -13.999 1.00 51.34 N ATOM 0 H ARG A 59 1.128 -2.205 -6.824 1.00 43.24 H new ATOM 0 HA ARG A 59 -1.221 -3.167 -8.351 1.00 71.55 H new ATOM 0 HB2 ARG A 59 0.752 -2.418 -9.713 1.00 50.22 H new ATOM 0 HB3 ARG A 59 1.744 -3.616 -8.904 1.00 50.22 H new ATOM 0 HG2 ARG A 59 0.209 -5.429 -9.779 1.00 60.34 H new ATOM 0 HG3 ARG A 59 -0.701 -4.207 -10.646 1.00 60.34 H new ATOM 0 HD2 ARG A 59 1.461 -3.612 -11.883 1.00 24.25 H new ATOM 0 HD3 ARG A 59 2.197 -5.015 -11.134 1.00 24.25 H new ATOM 0 HE ARG A 59 -0.245 -5.211 -12.892 1.00 62.00 H new ATOM 0 HH11 ARG A 59 2.957 -6.448 -11.932 1.00 50.52 H new ATOM 0 HH12 ARG A 59 2.886 -7.797 -13.071 1.00 50.52 H new ATOM 0 HH21 ARG A 59 -0.291 -6.959 -14.318 1.00 51.34 H new ATOM 0 HH22 ARG A 59 1.071 -8.081 -14.402 1.00 51.34 H new ATOM 978 N PHE A 60 -1.201 -5.419 -7.249 1.00 31.24 N ATOM 979 CA PHE A 60 -1.257 -6.786 -6.737 1.00 14.13 C ATOM 980 C PHE A 60 -2.221 -7.571 -7.644 1.00 62.21 C ATOM 981 O PHE A 60 -3.224 -7.023 -8.110 1.00 34.12 O ATOM 982 CB PHE A 60 -1.704 -6.805 -5.242 1.00 64.22 C ATOM 983 CG PHE A 60 -1.656 -8.205 -4.596 1.00 12.41 C ATOM 984 CD1 PHE A 60 -2.731 -9.086 -4.685 1.00 70.54 C ATOM 985 CD2 PHE A 60 -0.519 -8.644 -3.933 1.00 75.13 C ATOM 986 CE1 PHE A 60 -2.660 -10.356 -4.136 1.00 62.34 C ATOM 987 CE2 PHE A 60 -0.451 -9.908 -3.380 1.00 21.13 C ATOM 988 CZ PHE A 60 -1.515 -10.766 -3.484 1.00 50.24 C ATOM 0 H PHE A 60 -2.083 -5.106 -7.655 1.00 31.24 H new ATOM 0 HA PHE A 60 -0.272 -7.252 -6.757 1.00 14.13 H new ATOM 0 HB2 PHE A 60 -1.065 -6.130 -4.673 1.00 64.22 H new ATOM 0 HB3 PHE A 60 -2.720 -6.417 -5.171 1.00 64.22 H new ATOM 0 HD1 PHE A 60 -3.634 -8.774 -5.190 1.00 70.54 H new ATOM 0 HD2 PHE A 60 0.331 -7.983 -3.847 1.00 75.13 H new ATOM 0 HE1 PHE A 60 -3.503 -11.027 -4.218 1.00 62.34 H new ATOM 0 HE2 PHE A 60 0.444 -10.222 -2.864 1.00 21.13 H new ATOM 0 HZ PHE A 60 -1.458 -11.757 -3.058 1.00 50.24 H new ATOM 998 N GLU A 61 -1.898 -8.832 -7.921 1.00 45.13 N ATOM 999 CA GLU A 61 -2.716 -9.705 -8.782 1.00 3.23 C ATOM 1000 C GLU A 61 -3.454 -10.742 -7.914 1.00 50.00 C ATOM 1001 O GLU A 61 -2.814 -11.619 -7.329 1.00 1.15 O ATOM 1002 CB GLU A 61 -1.805 -10.373 -9.847 1.00 34.13 C ATOM 1003 CG GLU A 61 -1.095 -9.354 -10.769 1.00 64.31 C ATOM 1004 CD GLU A 61 -0.211 -9.992 -11.851 1.00 63.22 C ATOM 1005 OE1 GLU A 61 -0.739 -10.752 -12.691 1.00 74.23 O ATOM 1006 OE2 GLU A 61 1.009 -9.736 -11.884 1.00 4.51 O ATOM 0 H GLU A 61 -1.060 -9.286 -7.557 1.00 45.13 H new ATOM 0 HA GLU A 61 -3.472 -9.122 -9.308 1.00 3.23 H new ATOM 0 HB2 GLU A 61 -1.054 -10.981 -9.343 1.00 34.13 H new ATOM 0 HB3 GLU A 61 -2.405 -11.048 -10.457 1.00 34.13 H new ATOM 0 HG2 GLU A 61 -1.848 -8.732 -11.252 1.00 64.31 H new ATOM 0 HG3 GLU A 61 -0.481 -8.694 -10.157 1.00 64.31 H new ATOM 1013 N LYS A 62 -4.802 -10.622 -7.812 1.00 1.30 N ATOM 1014 CA LYS A 62 -5.619 -11.505 -6.950 1.00 4.54 C ATOM 1015 C LYS A 62 -6.923 -11.908 -7.669 1.00 64.04 C ATOM 1016 O LYS A 62 -7.837 -11.090 -7.804 1.00 42.33 O ATOM 1017 CB LYS A 62 -5.934 -10.814 -5.570 1.00 52.12 C ATOM 1018 CG LYS A 62 -6.161 -11.777 -4.356 1.00 1.22 C ATOM 1019 CD LYS A 62 -7.384 -12.718 -4.497 1.00 51.21 C ATOM 1020 CE LYS A 62 -8.719 -11.955 -4.568 1.00 21.22 C ATOM 1021 NZ LYS A 62 -9.883 -12.850 -4.831 1.00 10.10 N ATOM 0 H LYS A 62 -5.344 -9.921 -8.318 1.00 1.30 H new ATOM 0 HA LYS A 62 -5.043 -12.408 -6.749 1.00 4.54 H new ATOM 0 HB2 LYS A 62 -5.111 -10.142 -5.326 1.00 52.12 H new ATOM 0 HB3 LYS A 62 -6.824 -10.197 -5.690 1.00 52.12 H new ATOM 0 HG2 LYS A 62 -5.266 -12.384 -4.219 1.00 1.22 H new ATOM 0 HG3 LYS A 62 -6.282 -11.179 -3.453 1.00 1.22 H new ATOM 0 HD2 LYS A 62 -7.269 -13.324 -5.396 1.00 51.21 H new ATOM 0 HD3 LYS A 62 -7.408 -13.405 -3.651 1.00 51.21 H new ATOM 0 HE2 LYS A 62 -8.879 -11.424 -3.629 1.00 21.22 H new ATOM 0 HE3 LYS A 62 -8.661 -11.202 -5.354 1.00 21.22 H new ATOM 0 HZ1 LYS A 62 -10.568 -12.359 -5.440 1.00 10.10 H new ATOM 0 HZ2 LYS A 62 -9.555 -13.715 -5.306 1.00 10.10 H new ATOM 0 HZ3 LYS A 62 -10.338 -13.101 -3.930 1.00 10.10 H new ATOM 1035 N LYS A 63 -6.983 -13.168 -8.130 1.00 45.33 N ATOM 1036 CA LYS A 63 -8.244 -13.836 -8.491 1.00 54.44 C ATOM 1037 C LYS A 63 -8.577 -14.873 -7.403 1.00 55.11 C ATOM 1038 O LYS A 63 -9.673 -14.862 -6.827 1.00 4.25 O ATOM 1039 CB LYS A 63 -8.143 -14.532 -9.871 1.00 63.22 C ATOM 1040 CG LYS A 63 -9.456 -15.215 -10.312 1.00 21.43 C ATOM 1041 CD LYS A 63 -9.340 -15.980 -11.643 1.00 30.54 C ATOM 1042 CE LYS A 63 -10.699 -16.529 -12.122 1.00 50.32 C ATOM 1043 NZ LYS A 63 -11.345 -17.425 -11.117 1.00 41.44 N ATOM 0 H LYS A 63 -6.158 -13.753 -8.263 1.00 45.33 H new ATOM 0 HA LYS A 63 -9.033 -13.087 -8.559 1.00 54.44 H new ATOM 0 HB2 LYS A 63 -7.856 -13.795 -10.621 1.00 63.22 H new ATOM 0 HB3 LYS A 63 -7.348 -15.277 -9.836 1.00 63.22 H new ATOM 0 HG2 LYS A 63 -9.775 -15.907 -9.532 1.00 21.43 H new ATOM 0 HG3 LYS A 63 -10.235 -14.458 -10.405 1.00 21.43 H new ATOM 0 HD2 LYS A 63 -8.929 -15.318 -12.405 1.00 30.54 H new ATOM 0 HD3 LYS A 63 -8.638 -16.806 -11.525 1.00 30.54 H new ATOM 0 HE2 LYS A 63 -11.366 -15.695 -12.341 1.00 50.32 H new ATOM 0 HE3 LYS A 63 -10.557 -17.077 -13.053 1.00 50.32 H new ATOM 0 HZ1 LYS A 63 -12.221 -17.819 -11.516 1.00 41.44 H new ATOM 0 HZ2 LYS A 63 -10.695 -18.200 -10.875 1.00 41.44 H new ATOM 0 HZ3 LYS A 63 -11.569 -16.880 -10.260 1.00 41.44 H new ATOM 1057 N GLY A 64 -7.593 -15.744 -7.111 1.00 40.22 N ATOM 1058 CA GLY A 64 -7.748 -16.801 -6.119 1.00 51.35 C ATOM 1059 C GLY A 64 -6.447 -17.555 -5.893 1.00 24.21 C ATOM 1060 O GLY A 64 -6.282 -18.683 -6.369 1.00 11.21 O ATOM 0 H GLY A 64 -6.677 -15.727 -7.559 1.00 40.22 H new ATOM 0 HA2 GLY A 64 -8.087 -16.369 -5.177 1.00 51.35 H new ATOM 0 HA3 GLY A 64 -8.520 -17.497 -6.447 1.00 51.35 H new ATOM 1064 N LEU A 65 -5.504 -16.906 -5.184 1.00 35.34 N ATOM 1065 CA LEU A 65 -4.189 -17.502 -4.830 1.00 60.44 C ATOM 1066 C LEU A 65 -4.374 -18.622 -3.797 1.00 44.40 C ATOM 1067 O LEU A 65 -3.761 -19.695 -3.891 1.00 62.33 O ATOM 1068 CB LEU A 65 -3.204 -16.419 -4.268 1.00 42.54 C ATOM 1069 CG LEU A 65 -2.673 -15.356 -5.298 1.00 54.45 C ATOM 1070 CD1 LEU A 65 -3.791 -14.421 -5.790 1.00 53.13 C ATOM 1071 CD2 LEU A 65 -1.503 -14.539 -4.724 1.00 61.05 C ATOM 0 H LEU A 65 -5.626 -15.954 -4.838 1.00 35.34 H new ATOM 0 HA LEU A 65 -3.756 -17.917 -5.740 1.00 60.44 H new ATOM 0 HB2 LEU A 65 -3.705 -15.889 -3.458 1.00 42.54 H new ATOM 0 HB3 LEU A 65 -2.346 -16.931 -3.832 1.00 42.54 H new ATOM 0 HG LEU A 65 -2.305 -15.917 -6.157 1.00 54.45 H new ATOM 0 HD11 LEU A 65 -3.379 -13.703 -6.499 1.00 53.13 H new ATOM 0 HD12 LEU A 65 -4.568 -15.009 -6.278 1.00 53.13 H new ATOM 0 HD13 LEU A 65 -4.219 -13.888 -4.941 1.00 53.13 H new ATOM 0 HD21 LEU A 65 -1.165 -13.816 -5.467 1.00 61.05 H new ATOM 0 HD22 LEU A 65 -1.832 -14.012 -3.828 1.00 61.05 H new ATOM 0 HD23 LEU A 65 -0.682 -15.209 -4.470 1.00 61.05 H new ATOM 1083 N ASP A 66 -5.247 -18.329 -2.831 1.00 13.21 N ATOM 1084 CA ASP A 66 -5.535 -19.185 -1.677 1.00 53.32 C ATOM 1085 C ASP A 66 -6.658 -18.516 -0.877 1.00 52.54 C ATOM 1086 O ASP A 66 -6.856 -17.306 -1.007 1.00 31.52 O ATOM 1087 CB ASP A 66 -4.258 -19.359 -0.806 1.00 11.01 C ATOM 1088 CG ASP A 66 -4.448 -20.315 0.372 1.00 1.03 C ATOM 1089 OD1 ASP A 66 -4.384 -21.541 0.166 1.00 21.21 O ATOM 1090 OD2 ASP A 66 -4.665 -19.853 1.508 1.00 11.14 O ATOM 0 H ASP A 66 -5.789 -17.465 -2.829 1.00 13.21 H new ATOM 0 HA ASP A 66 -5.846 -20.179 -1.999 1.00 53.32 H new ATOM 0 HB2 ASP A 66 -3.447 -19.726 -1.434 1.00 11.01 H new ATOM 0 HB3 ASP A 66 -3.951 -18.384 -0.427 1.00 11.01 H new ATOM 1095 N ASP A 67 -7.380 -19.292 -0.057 1.00 74.01 N ATOM 1096 CA ASP A 67 -8.496 -18.785 0.773 1.00 73.43 C ATOM 1097 C ASP A 67 -8.016 -17.729 1.785 1.00 62.11 C ATOM 1098 O ASP A 67 -8.688 -16.708 2.007 1.00 4.25 O ATOM 1099 CB ASP A 67 -9.175 -19.960 1.521 1.00 13.35 C ATOM 1100 CG ASP A 67 -9.885 -20.930 0.567 1.00 24.23 C ATOM 1101 OD1 ASP A 67 -11.076 -20.700 0.259 1.00 25.00 O ATOM 1102 OD2 ASP A 67 -9.260 -21.916 0.117 1.00 43.53 O ATOM 0 H ASP A 67 -7.211 -20.292 0.054 1.00 74.01 H new ATOM 0 HA ASP A 67 -9.216 -18.309 0.108 1.00 73.43 H new ATOM 0 HB2 ASP A 67 -8.425 -20.504 2.095 1.00 13.35 H new ATOM 0 HB3 ASP A 67 -9.897 -19.564 2.235 1.00 13.35 H new ATOM 1107 N ASP A 68 -6.846 -17.992 2.378 1.00 51.13 N ATOM 1108 CA ASP A 68 -6.238 -17.122 3.391 1.00 34.05 C ATOM 1109 C ASP A 68 -5.578 -15.921 2.710 1.00 32.52 C ATOM 1110 O ASP A 68 -5.911 -14.777 3.024 1.00 30.30 O ATOM 1111 CB ASP A 68 -5.223 -17.914 4.249 1.00 11.15 C ATOM 1112 CG ASP A 68 -4.583 -17.070 5.365 1.00 75.45 C ATOM 1113 OD1 ASP A 68 -5.308 -16.671 6.308 1.00 3.30 O ATOM 1114 OD2 ASP A 68 -3.366 -16.789 5.301 1.00 41.24 O ATOM 0 H ASP A 68 -6.290 -18.821 2.167 1.00 51.13 H new ATOM 0 HA ASP A 68 -7.014 -16.753 4.061 1.00 34.05 H new ATOM 0 HB2 ASP A 68 -5.726 -18.772 4.695 1.00 11.15 H new ATOM 0 HB3 ASP A 68 -4.437 -18.305 3.602 1.00 11.15 H new ATOM 1119 N ALA A 69 -4.691 -16.214 1.729 1.00 33.45 N ATOM 1120 CA ALA A 69 -3.916 -15.193 0.982 1.00 72.21 C ATOM 1121 C ALA A 69 -4.827 -14.140 0.312 1.00 11.53 C ATOM 1122 O ALA A 69 -4.429 -12.983 0.136 1.00 12.31 O ATOM 1123 CB ALA A 69 -3.034 -15.883 -0.066 1.00 24.21 C ATOM 0 H ALA A 69 -4.492 -17.169 1.432 1.00 33.45 H new ATOM 0 HA ALA A 69 -3.290 -14.660 1.698 1.00 72.21 H new ATOM 0 HB1 ALA A 69 -2.465 -15.132 -0.614 1.00 24.21 H new ATOM 0 HB2 ALA A 69 -2.347 -16.568 0.431 1.00 24.21 H new ATOM 0 HB3 ALA A 69 -3.663 -16.440 -0.761 1.00 24.21 H new ATOM 1129 N ARG A 70 -6.039 -14.583 -0.069 1.00 4.41 N ATOM 1130 CA ARG A 70 -7.103 -13.736 -0.635 1.00 62.43 C ATOM 1131 C ARG A 70 -7.459 -12.593 0.329 1.00 11.05 C ATOM 1132 O ARG A 70 -7.460 -11.418 -0.050 1.00 61.24 O ATOM 1133 CB ARG A 70 -8.346 -14.634 -0.928 1.00 53.42 C ATOM 1134 CG ARG A 70 -9.570 -13.938 -1.575 1.00 22.34 C ATOM 1135 CD ARG A 70 -10.655 -13.490 -0.580 1.00 45.44 C ATOM 1136 NE ARG A 70 -11.840 -12.989 -1.298 1.00 12.20 N ATOM 1137 CZ ARG A 70 -13.043 -12.752 -0.758 1.00 52.25 C ATOM 1138 NH1 ARG A 70 -13.265 -12.957 0.535 1.00 2.40 N ATOM 1139 NH2 ARG A 70 -14.019 -12.300 -1.528 1.00 44.34 N ATOM 0 H ARG A 70 -6.311 -15.563 0.010 1.00 4.41 H new ATOM 0 HA ARG A 70 -6.759 -13.278 -1.562 1.00 62.43 H new ATOM 0 HB2 ARG A 70 -8.032 -15.447 -1.582 1.00 53.42 H new ATOM 0 HB3 ARG A 70 -8.668 -15.086 0.010 1.00 53.42 H new ATOM 0 HG2 ARG A 70 -9.224 -13.067 -2.131 1.00 22.34 H new ATOM 0 HG3 ARG A 70 -10.018 -14.620 -2.298 1.00 22.34 H new ATOM 0 HD2 ARG A 70 -10.937 -14.326 0.060 1.00 45.44 H new ATOM 0 HD3 ARG A 70 -10.260 -12.710 0.071 1.00 45.44 H new ATOM 0 HE ARG A 70 -11.735 -12.806 -2.296 1.00 12.20 H new ATOM 0 HH11 ARG A 70 -12.514 -13.300 1.133 1.00 2.40 H new ATOM 0 HH12 ARG A 70 -14.187 -12.771 0.930 1.00 2.40 H new ATOM 0 HH21 ARG A 70 -13.851 -12.136 -2.521 1.00 44.34 H new ATOM 0 HH22 ARG A 70 -14.939 -12.116 -1.129 1.00 44.34 H new ATOM 1153 N LYS A 71 -7.739 -12.983 1.578 1.00 52.24 N ATOM 1154 CA LYS A 71 -8.227 -12.081 2.624 1.00 52.22 C ATOM 1155 C LYS A 71 -7.101 -11.170 3.137 1.00 53.22 C ATOM 1156 O LYS A 71 -7.354 -10.013 3.509 1.00 3.22 O ATOM 1157 CB LYS A 71 -8.841 -12.911 3.782 1.00 31.20 C ATOM 1158 CG LYS A 71 -9.516 -12.069 4.888 1.00 0.11 C ATOM 1159 CD LYS A 71 -10.137 -12.941 6.003 1.00 44.22 C ATOM 1160 CE LYS A 71 -10.881 -12.110 7.059 1.00 73.51 C ATOM 1161 NZ LYS A 71 -12.008 -11.329 6.476 1.00 2.12 N ATOM 0 H LYS A 71 -7.631 -13.947 1.893 1.00 52.24 H new ATOM 0 HA LYS A 71 -8.999 -11.438 2.202 1.00 52.22 H new ATOM 0 HB2 LYS A 71 -9.577 -13.600 3.368 1.00 31.20 H new ATOM 0 HB3 LYS A 71 -8.056 -13.517 4.233 1.00 31.20 H new ATOM 0 HG2 LYS A 71 -8.780 -11.395 5.326 1.00 0.11 H new ATOM 0 HG3 LYS A 71 -10.293 -11.447 4.443 1.00 0.11 H new ATOM 0 HD2 LYS A 71 -10.828 -13.657 5.557 1.00 44.22 H new ATOM 0 HD3 LYS A 71 -9.350 -13.518 6.489 1.00 44.22 H new ATOM 0 HE2 LYS A 71 -11.265 -12.773 7.835 1.00 73.51 H new ATOM 0 HE3 LYS A 71 -10.180 -11.428 7.540 1.00 73.51 H new ATOM 0 HZ1 LYS A 71 -12.591 -10.935 7.242 1.00 2.12 H new ATOM 0 HZ2 LYS A 71 -11.629 -10.554 5.896 1.00 2.12 H new ATOM 0 HZ3 LYS A 71 -12.592 -11.952 5.883 1.00 2.12 H new ATOM 1175 N LYS A 72 -5.854 -11.696 3.151 1.00 11.24 N ATOM 1176 CA LYS A 72 -4.690 -10.942 3.642 1.00 41.34 C ATOM 1177 C LYS A 72 -4.422 -9.755 2.715 1.00 40.24 C ATOM 1178 O LYS A 72 -4.346 -8.620 3.170 1.00 65.12 O ATOM 1179 CB LYS A 72 -3.403 -11.821 3.748 1.00 53.05 C ATOM 1180 CG LYS A 72 -3.566 -13.214 4.412 1.00 42.14 C ATOM 1181 CD LYS A 72 -4.455 -13.230 5.680 1.00 54.34 C ATOM 1182 CE LYS A 72 -3.941 -12.343 6.816 1.00 20.35 C ATOM 1183 NZ LYS A 72 -4.785 -12.472 8.030 1.00 54.34 N ATOM 0 H LYS A 72 -5.634 -12.638 2.827 1.00 11.24 H new ATOM 0 HA LYS A 72 -4.930 -10.597 4.648 1.00 41.34 H new ATOM 0 HB2 LYS A 72 -3.006 -11.967 2.743 1.00 53.05 H new ATOM 0 HB3 LYS A 72 -2.654 -11.262 4.309 1.00 53.05 H new ATOM 0 HG2 LYS A 72 -3.989 -13.902 3.680 1.00 42.14 H new ATOM 0 HG3 LYS A 72 -2.578 -13.594 4.673 1.00 42.14 H new ATOM 0 HD2 LYS A 72 -5.461 -12.909 5.409 1.00 54.34 H new ATOM 0 HD3 LYS A 72 -4.535 -14.255 6.042 1.00 54.34 H new ATOM 0 HE2 LYS A 72 -2.913 -12.615 7.055 1.00 20.35 H new ATOM 0 HE3 LYS A 72 -3.927 -11.303 6.490 1.00 20.35 H new ATOM 0 HZ1 LYS A 72 -4.409 -11.858 8.781 1.00 54.34 H new ATOM 0 HZ2 LYS A 72 -5.760 -12.189 7.806 1.00 54.34 H new ATOM 0 HZ3 LYS A 72 -4.777 -13.460 8.355 1.00 54.34 H new ATOM 1197 N ALA A 73 -4.330 -10.055 1.407 1.00 74.30 N ATOM 1198 CA ALA A 73 -4.068 -9.063 0.354 1.00 54.10 C ATOM 1199 C ALA A 73 -5.194 -8.027 0.258 1.00 3.21 C ATOM 1200 O ALA A 73 -4.937 -6.839 0.011 1.00 34.22 O ATOM 1201 CB ALA A 73 -3.895 -9.784 -0.983 1.00 22.33 C ATOM 0 H ALA A 73 -4.437 -11.004 1.050 1.00 74.30 H new ATOM 0 HA ALA A 73 -3.154 -8.525 0.606 1.00 54.10 H new ATOM 0 HB1 ALA A 73 -3.700 -9.053 -1.768 1.00 22.33 H new ATOM 0 HB2 ALA A 73 -3.057 -10.477 -0.917 1.00 22.33 H new ATOM 0 HB3 ALA A 73 -4.805 -10.336 -1.219 1.00 22.33 H new ATOM 1207 N LYS A 74 -6.436 -8.511 0.448 1.00 45.51 N ATOM 1208 CA LYS A 74 -7.645 -7.680 0.442 1.00 13.12 C ATOM 1209 C LYS A 74 -7.550 -6.562 1.494 1.00 21.40 C ATOM 1210 O LYS A 74 -7.667 -5.381 1.161 1.00 61.43 O ATOM 1211 CB LYS A 74 -8.899 -8.561 0.695 1.00 0.31 C ATOM 1212 CG LYS A 74 -10.207 -7.768 0.951 1.00 72.55 C ATOM 1213 CD LYS A 74 -11.358 -8.654 1.475 1.00 53.03 C ATOM 1214 CE LYS A 74 -12.568 -7.821 1.962 1.00 63.10 C ATOM 1215 NZ LYS A 74 -13.180 -6.999 0.879 1.00 64.20 N ATOM 0 H LYS A 74 -6.625 -9.500 0.611 1.00 45.51 H new ATOM 0 HA LYS A 74 -7.735 -7.212 -0.538 1.00 13.12 H new ATOM 0 HB2 LYS A 74 -9.048 -9.213 -0.166 1.00 0.31 H new ATOM 0 HB3 LYS A 74 -8.707 -9.205 1.553 1.00 0.31 H new ATOM 0 HG2 LYS A 74 -10.009 -6.975 1.672 1.00 72.55 H new ATOM 0 HG3 LYS A 74 -10.520 -7.286 0.025 1.00 72.55 H new ATOM 0 HD2 LYS A 74 -11.681 -9.331 0.684 1.00 53.03 H new ATOM 0 HD3 LYS A 74 -10.993 -9.273 2.295 1.00 53.03 H new ATOM 0 HE2 LYS A 74 -13.323 -8.492 2.373 1.00 63.10 H new ATOM 0 HE3 LYS A 74 -12.249 -7.166 2.772 1.00 63.10 H new ATOM 0 HZ1 LYS A 74 -13.985 -6.463 1.262 1.00 64.20 H new ATOM 0 HZ2 LYS A 74 -12.471 -6.337 0.503 1.00 64.20 H new ATOM 0 HZ3 LYS A 74 -13.512 -7.622 0.115 1.00 64.20 H new ATOM 1229 N LYS A 75 -7.299 -6.949 2.757 1.00 70.23 N ATOM 1230 CA LYS A 75 -7.281 -6.005 3.878 1.00 63.01 C ATOM 1231 C LYS A 75 -6.018 -5.126 3.829 1.00 72.51 C ATOM 1232 O LYS A 75 -6.083 -3.928 4.114 1.00 61.13 O ATOM 1233 CB LYS A 75 -7.351 -6.747 5.243 1.00 73.32 C ATOM 1234 CG LYS A 75 -7.506 -5.790 6.443 1.00 24.04 C ATOM 1235 CD LYS A 75 -7.440 -6.493 7.818 1.00 72.43 C ATOM 1236 CE LYS A 75 -7.621 -5.503 8.978 1.00 0.12 C ATOM 1237 NZ LYS A 75 -7.528 -6.160 10.304 1.00 71.34 N ATOM 0 H LYS A 75 -7.106 -7.914 3.023 1.00 70.23 H new ATOM 0 HA LYS A 75 -8.162 -5.370 3.784 1.00 63.01 H new ATOM 0 HB2 LYS A 75 -8.190 -7.442 5.229 1.00 73.32 H new ATOM 0 HB3 LYS A 75 -6.447 -7.341 5.374 1.00 73.32 H new ATOM 0 HG2 LYS A 75 -6.723 -5.033 6.395 1.00 24.04 H new ATOM 0 HG3 LYS A 75 -8.459 -5.268 6.358 1.00 24.04 H new ATOM 0 HD2 LYS A 75 -8.213 -7.259 7.871 1.00 72.43 H new ATOM 0 HD3 LYS A 75 -6.481 -7.000 7.920 1.00 72.43 H new ATOM 0 HE2 LYS A 75 -6.862 -4.724 8.908 1.00 0.12 H new ATOM 0 HE3 LYS A 75 -8.590 -5.013 8.886 1.00 0.12 H new ATOM 0 HZ1 LYS A 75 -7.657 -5.450 11.053 1.00 71.34 H new ATOM 0 HZ2 LYS A 75 -8.268 -6.886 10.384 1.00 71.34 H new ATOM 0 HZ3 LYS A 75 -6.594 -6.605 10.406 1.00 71.34 H new ATOM 1251 N TRP A 76 -4.890 -5.753 3.433 1.00 15.42 N ATOM 1252 CA TRP A 76 -3.537 -5.169 3.505 1.00 73.13 C ATOM 1253 C TRP A 76 -3.446 -3.849 2.731 1.00 2.13 C ATOM 1254 O TRP A 76 -3.111 -2.819 3.310 1.00 1.34 O ATOM 1255 CB TRP A 76 -2.504 -6.187 2.951 1.00 2.31 C ATOM 1256 CG TRP A 76 -1.057 -5.785 3.105 1.00 73.53 C ATOM 1257 CD1 TRP A 76 -0.249 -6.044 4.171 1.00 51.22 C ATOM 1258 CD2 TRP A 76 -0.243 -5.068 2.157 1.00 61.02 C ATOM 1259 NE1 TRP A 76 1.004 -5.540 3.941 1.00 60.30 N ATOM 1260 CE2 TRP A 76 1.032 -4.932 2.722 1.00 44.50 C ATOM 1261 CE3 TRP A 76 -0.476 -4.533 0.895 1.00 12.13 C ATOM 1262 CZ2 TRP A 76 2.074 -4.288 2.075 1.00 43.43 C ATOM 1263 CZ3 TRP A 76 0.552 -3.889 0.249 1.00 43.33 C ATOM 1264 CH2 TRP A 76 1.820 -3.770 0.840 1.00 62.45 C ATOM 0 H TRP A 76 -4.896 -6.697 3.047 1.00 15.42 H new ATOM 0 HA TRP A 76 -3.316 -4.951 4.550 1.00 73.13 H new ATOM 0 HB2 TRP A 76 -2.654 -7.142 3.454 1.00 2.31 H new ATOM 0 HB3 TRP A 76 -2.709 -6.348 1.893 1.00 2.31 H new ATOM 0 HD1 TRP A 76 -0.552 -6.569 5.065 1.00 51.22 H new ATOM 0 HE1 TRP A 76 1.794 -5.609 4.583 1.00 60.30 H new ATOM 0 HE3 TRP A 76 -1.447 -4.622 0.431 1.00 12.13 H new ATOM 0 HZ2 TRP A 76 3.049 -4.200 2.531 1.00 43.43 H new ATOM 0 HZ3 TRP A 76 0.381 -3.467 -0.730 1.00 43.33 H new ATOM 0 HH2 TRP A 76 2.608 -3.259 0.307 1.00 62.45 H new ATOM 1275 N ALA A 77 -3.786 -3.900 1.434 1.00 35.23 N ATOM 1276 CA ALA A 77 -3.626 -2.765 0.509 1.00 21.35 C ATOM 1277 C ALA A 77 -4.566 -1.600 0.865 1.00 35.04 C ATOM 1278 O ALA A 77 -4.231 -0.432 0.634 1.00 52.42 O ATOM 1279 CB ALA A 77 -3.830 -3.242 -0.935 1.00 11.44 C ATOM 0 H ALA A 77 -4.181 -4.732 0.995 1.00 35.23 H new ATOM 0 HA ALA A 77 -2.611 -2.379 0.606 1.00 21.35 H new ATOM 0 HB1 ALA A 77 -3.711 -2.400 -1.617 1.00 11.44 H new ATOM 0 HB2 ALA A 77 -3.092 -4.008 -1.173 1.00 11.44 H new ATOM 0 HB3 ALA A 77 -4.832 -3.657 -1.043 1.00 11.44 H new ATOM 1285 N LEU A 78 -5.746 -1.935 1.435 1.00 13.30 N ATOM 1286 CA LEU A 78 -6.713 -0.937 1.932 1.00 32.43 C ATOM 1287 C LEU A 78 -6.167 -0.253 3.195 1.00 41.10 C ATOM 1288 O LEU A 78 -6.293 0.956 3.359 1.00 45.22 O ATOM 1289 CB LEU A 78 -8.076 -1.605 2.262 1.00 32.41 C ATOM 1290 CG LEU A 78 -8.782 -2.349 1.098 1.00 11.11 C ATOM 1291 CD1 LEU A 78 -10.108 -2.974 1.567 1.00 65.01 C ATOM 1292 CD2 LEU A 78 -8.994 -1.424 -0.116 1.00 65.32 C ATOM 0 H LEU A 78 -6.051 -2.900 1.562 1.00 13.30 H new ATOM 0 HA LEU A 78 -6.863 -0.194 1.148 1.00 32.43 H new ATOM 0 HB2 LEU A 78 -7.921 -2.314 3.075 1.00 32.41 H new ATOM 0 HB3 LEU A 78 -8.752 -0.835 2.635 1.00 32.41 H new ATOM 0 HG LEU A 78 -8.128 -3.159 0.777 1.00 11.11 H new ATOM 0 HD11 LEU A 78 -10.583 -3.489 0.732 1.00 65.01 H new ATOM 0 HD12 LEU A 78 -9.911 -3.686 2.368 1.00 65.01 H new ATOM 0 HD13 LEU A 78 -10.771 -2.190 1.933 1.00 65.01 H new ATOM 0 HD21 LEU A 78 -9.491 -1.977 -0.913 1.00 65.32 H new ATOM 0 HD22 LEU A 78 -9.612 -0.576 0.177 1.00 65.32 H new ATOM 0 HD23 LEU A 78 -8.029 -1.064 -0.472 1.00 65.32 H new ATOM 1304 N GLU A 79 -5.566 -1.064 4.082 1.00 41.10 N ATOM 1305 CA GLU A 79 -5.020 -0.610 5.370 1.00 45.52 C ATOM 1306 C GLU A 79 -3.730 0.198 5.193 1.00 21.51 C ATOM 1307 O GLU A 79 -3.437 1.041 6.026 1.00 31.42 O ATOM 1308 CB GLU A 79 -4.813 -1.811 6.329 1.00 73.31 C ATOM 1309 CG GLU A 79 -6.078 -2.243 7.100 1.00 62.33 C ATOM 1310 CD GLU A 79 -6.505 -1.215 8.161 1.00 22.13 C ATOM 1311 OE1 GLU A 79 -5.983 -1.263 9.293 1.00 43.11 O ATOM 1312 OE2 GLU A 79 -7.340 -0.338 7.859 1.00 4.42 O ATOM 0 H GLU A 79 -5.445 -2.064 3.922 1.00 41.10 H new ATOM 0 HA GLU A 79 -5.750 0.062 5.821 1.00 45.52 H new ATOM 0 HB2 GLU A 79 -4.447 -2.661 5.752 1.00 73.31 H new ATOM 0 HB3 GLU A 79 -4.035 -1.555 7.048 1.00 73.31 H new ATOM 0 HG2 GLU A 79 -6.895 -2.392 6.395 1.00 62.33 H new ATOM 0 HG3 GLU A 79 -5.894 -3.203 7.583 1.00 62.33 H new ATOM 1319 N VAL A 80 -2.958 -0.076 4.125 1.00 24.22 N ATOM 1320 CA VAL A 80 -1.811 0.765 3.737 1.00 53.35 C ATOM 1321 C VAL A 80 -2.328 2.169 3.361 1.00 44.03 C ATOM 1322 O VAL A 80 -1.792 3.188 3.821 1.00 40.11 O ATOM 1323 CB VAL A 80 -1.002 0.130 2.540 1.00 31.30 C ATOM 1324 CG1 VAL A 80 0.068 1.102 1.984 1.00 70.52 C ATOM 1325 CG2 VAL A 80 -0.352 -1.209 2.966 1.00 41.23 C ATOM 0 H VAL A 80 -3.109 -0.878 3.513 1.00 24.22 H new ATOM 0 HA VAL A 80 -1.125 0.837 4.581 1.00 53.35 H new ATOM 0 HB VAL A 80 -1.713 -0.066 1.738 1.00 31.30 H new ATOM 0 HG11 VAL A 80 0.601 0.625 1.162 1.00 70.52 H new ATOM 0 HG12 VAL A 80 -0.417 2.009 1.624 1.00 70.52 H new ATOM 0 HG13 VAL A 80 0.774 1.357 2.775 1.00 70.52 H new ATOM 0 HG21 VAL A 80 0.200 -1.629 2.125 1.00 41.23 H new ATOM 0 HG22 VAL A 80 0.330 -1.034 3.798 1.00 41.23 H new ATOM 0 HG23 VAL A 80 -1.129 -1.908 3.275 1.00 41.23 H new ATOM 1335 N ALA A 81 -3.420 2.183 2.561 1.00 33.21 N ATOM 1336 CA ALA A 81 -4.114 3.413 2.144 1.00 1.00 C ATOM 1337 C ALA A 81 -4.663 4.182 3.361 1.00 22.33 C ATOM 1338 O ALA A 81 -4.595 5.409 3.404 1.00 11.10 O ATOM 1339 CB ALA A 81 -5.244 3.078 1.148 1.00 23.02 C ATOM 0 H ALA A 81 -3.843 1.333 2.187 1.00 33.21 H new ATOM 0 HA ALA A 81 -3.393 4.060 1.644 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -5.749 3.996 0.848 1.00 23.02 H new ATOM 0 HB2 ALA A 81 -4.822 2.592 0.268 1.00 23.02 H new ATOM 0 HB3 ALA A 81 -5.961 2.408 1.623 1.00 23.02 H new ATOM 1345 N ASN A 82 -5.180 3.426 4.353 1.00 75.42 N ATOM 1346 CA ASN A 82 -5.786 3.986 5.579 1.00 30.43 C ATOM 1347 C ASN A 82 -4.728 4.573 6.517 1.00 54.52 C ATOM 1348 O ASN A 82 -4.914 5.679 7.015 1.00 2.55 O ATOM 1349 CB ASN A 82 -6.623 2.904 6.315 1.00 20.31 C ATOM 1350 CG ASN A 82 -7.919 2.571 5.586 1.00 41.23 C ATOM 1351 OD1 ASN A 82 -8.574 3.450 5.027 1.00 61.53 O ATOM 1352 ND2 ASN A 82 -8.268 1.299 5.535 1.00 22.52 N ATOM 0 H ASN A 82 -5.189 2.406 4.325 1.00 75.42 H new ATOM 0 HA ASN A 82 -6.446 4.799 5.277 1.00 30.43 H new ATOM 0 HB2 ASN A 82 -6.027 1.998 6.421 1.00 20.31 H new ATOM 0 HB3 ASN A 82 -6.855 3.252 7.322 1.00 20.31 H new ATOM 0 HD21 ASN A 82 -9.103 1.020 5.021 1.00 22.52 H new ATOM 0 HD22 ASN A 82 -7.702 0.596 6.010 1.00 22.52 H new ATOM 1359 N LYS A 83 -3.621 3.828 6.747 1.00 12.12 N ATOM 1360 CA LYS A 83 -2.544 4.242 7.678 1.00 52.14 C ATOM 1361 C LYS A 83 -2.008 5.610 7.275 1.00 31.12 C ATOM 1362 O LYS A 83 -2.055 6.546 8.070 1.00 41.21 O ATOM 1363 CB LYS A 83 -1.380 3.202 7.719 1.00 24.53 C ATOM 1364 CG LYS A 83 -1.730 1.881 8.440 1.00 71.32 C ATOM 1365 CD LYS A 83 -1.923 2.047 9.967 1.00 11.34 C ATOM 1366 CE LYS A 83 -2.445 0.760 10.639 1.00 44.52 C ATOM 1367 NZ LYS A 83 -3.839 0.438 10.209 1.00 63.33 N ATOM 0 H LYS A 83 -3.450 2.929 6.296 1.00 12.12 H new ATOM 0 HA LYS A 83 -2.972 4.297 8.679 1.00 52.14 H new ATOM 0 HB2 LYS A 83 -1.076 2.975 6.697 1.00 24.53 H new ATOM 0 HB3 LYS A 83 -0.521 3.655 8.214 1.00 24.53 H new ATOM 0 HG2 LYS A 83 -2.643 1.471 8.008 1.00 71.32 H new ATOM 0 HG3 LYS A 83 -0.937 1.155 8.258 1.00 71.32 H new ATOM 0 HD2 LYS A 83 -0.974 2.331 10.421 1.00 11.34 H new ATOM 0 HD3 LYS A 83 -2.623 2.861 10.155 1.00 11.34 H new ATOM 0 HE2 LYS A 83 -1.786 -0.073 10.391 1.00 44.52 H new ATOM 0 HE3 LYS A 83 -2.416 0.878 11.722 1.00 44.52 H new ATOM 0 HZ1 LYS A 83 -4.471 0.459 11.035 1.00 63.33 H new ATOM 0 HZ2 LYS A 83 -4.158 1.140 9.511 1.00 63.33 H new ATOM 0 HZ3 LYS A 83 -3.860 -0.510 9.781 1.00 63.33 H new ATOM 1381 N ILE A 84 -1.611 5.721 5.995 1.00 42.10 N ATOM 1382 CA ILE A 84 -1.041 6.950 5.424 1.00 10.00 C ATOM 1383 C ILE A 84 -2.103 8.079 5.390 1.00 51.23 C ATOM 1384 O ILE A 84 -1.774 9.246 5.625 1.00 25.52 O ATOM 1385 CB ILE A 84 -0.445 6.679 3.989 1.00 52.22 C ATOM 1386 CG1 ILE A 84 0.622 5.536 4.039 1.00 44.43 C ATOM 1387 CG2 ILE A 84 0.174 7.960 3.383 1.00 13.20 C ATOM 1388 CD1 ILE A 84 1.059 5.005 2.676 1.00 63.34 C ATOM 0 H ILE A 84 -1.678 4.955 5.325 1.00 42.10 H new ATOM 0 HA ILE A 84 -0.222 7.279 6.064 1.00 10.00 H new ATOM 0 HB ILE A 84 -1.268 6.364 3.347 1.00 52.22 H new ATOM 0 HG12 ILE A 84 1.501 5.902 4.569 1.00 44.43 H new ATOM 0 HG13 ILE A 84 0.220 4.708 4.623 1.00 44.43 H new ATOM 0 HG21 ILE A 84 0.575 7.738 2.394 1.00 13.20 H new ATOM 0 HG22 ILE A 84 -0.593 8.730 3.299 1.00 13.20 H new ATOM 0 HG23 ILE A 84 0.977 8.317 4.028 1.00 13.20 H new ATOM 0 HD11 ILE A 84 1.799 4.217 2.813 1.00 63.34 H new ATOM 0 HD12 ILE A 84 0.194 4.603 2.148 1.00 63.34 H new ATOM 0 HD13 ILE A 84 1.496 5.816 2.093 1.00 63.34 H new ATOM 1400 N ALA A 85 -3.385 7.715 5.135 1.00 31.50 N ATOM 1401 CA ALA A 85 -4.515 8.676 5.150 1.00 50.54 C ATOM 1402 C ALA A 85 -4.677 9.330 6.540 1.00 4.21 C ATOM 1403 O ALA A 85 -4.981 10.518 6.637 1.00 31.51 O ATOM 1404 CB ALA A 85 -5.827 7.985 4.721 1.00 1.22 C ATOM 0 H ALA A 85 -3.662 6.758 4.916 1.00 31.50 H new ATOM 0 HA ALA A 85 -4.288 9.464 4.432 1.00 50.54 H new ATOM 0 HB1 ALA A 85 -6.642 8.708 4.739 1.00 1.22 H new ATOM 0 HB2 ALA A 85 -5.716 7.589 3.712 1.00 1.22 H new ATOM 0 HB3 ALA A 85 -6.050 7.169 5.409 1.00 1.22 H new ATOM 1410 N ASN A 86 -4.462 8.532 7.607 1.00 73.45 N ATOM 1411 CA ASN A 86 -4.541 9.006 9.009 1.00 44.11 C ATOM 1412 C ASN A 86 -3.285 9.819 9.390 1.00 62.30 C ATOM 1413 O ASN A 86 -3.376 10.783 10.164 1.00 52.13 O ATOM 1414 CB ASN A 86 -4.746 7.814 9.994 1.00 55.03 C ATOM 1415 CG ASN A 86 -6.197 7.326 10.083 1.00 72.31 C ATOM 1416 OD1 ASN A 86 -6.963 7.782 10.927 1.00 63.55 O ATOM 1417 ND2 ASN A 86 -6.591 6.416 9.216 1.00 31.32 N ATOM 0 H ASN A 86 -4.229 7.542 7.523 1.00 73.45 H new ATOM 0 HA ASN A 86 -5.407 9.663 9.089 1.00 44.11 H new ATOM 0 HB2 ASN A 86 -4.112 6.984 9.682 1.00 55.03 H new ATOM 0 HB3 ASN A 86 -4.412 8.114 10.987 1.00 55.03 H new ATOM 0 HD21 ASN A 86 -7.552 6.075 9.236 1.00 31.32 H new ATOM 0 HD22 ASN A 86 -5.935 6.053 8.524 1.00 31.32 H new ATOM 1424 N GLU A 87 -2.117 9.412 8.840 1.00 3.52 N ATOM 1425 CA GLU A 87 -0.828 10.089 9.094 1.00 0.33 C ATOM 1426 C GLU A 87 -0.857 11.521 8.536 1.00 54.10 C ATOM 1427 O GLU A 87 -0.416 12.465 9.191 1.00 34.00 O ATOM 1428 CB GLU A 87 0.365 9.313 8.454 1.00 3.21 C ATOM 1429 CG GLU A 87 0.597 7.883 8.989 1.00 2.41 C ATOM 1430 CD GLU A 87 0.797 7.812 10.511 1.00 44.21 C ATOM 1431 OE1 GLU A 87 1.886 8.184 10.991 1.00 73.24 O ATOM 1432 OE2 GLU A 87 -0.139 7.400 11.236 1.00 34.03 O ATOM 0 H GLU A 87 -2.044 8.611 8.213 1.00 3.52 H new ATOM 0 HA GLU A 87 -0.683 10.116 10.174 1.00 0.33 H new ATOM 0 HB2 GLU A 87 0.202 9.257 7.378 1.00 3.21 H new ATOM 0 HB3 GLU A 87 1.276 9.891 8.609 1.00 3.21 H new ATOM 0 HG2 GLU A 87 -0.255 7.261 8.715 1.00 2.41 H new ATOM 0 HG3 GLU A 87 1.473 7.459 8.497 1.00 2.41 H new ATOM 1439 N LEU A 88 -1.388 11.662 7.311 1.00 4.12 N ATOM 1440 CA LEU A 88 -1.397 12.944 6.583 1.00 41.31 C ATOM 1441 C LEU A 88 -2.665 13.752 6.889 1.00 65.41 C ATOM 1442 O LEU A 88 -2.651 14.989 6.842 1.00 22.54 O ATOM 1443 CB LEU A 88 -1.301 12.688 5.055 1.00 72.11 C ATOM 1444 CG LEU A 88 -0.140 11.767 4.575 1.00 64.14 C ATOM 1445 CD1 LEU A 88 -0.076 11.723 3.040 1.00 41.11 C ATOM 1446 CD2 LEU A 88 1.211 12.176 5.197 1.00 1.32 C ATOM 0 H LEU A 88 -1.822 10.895 6.798 1.00 4.12 H new ATOM 0 HA LEU A 88 -0.534 13.522 6.914 1.00 41.31 H new ATOM 0 HB2 LEU A 88 -2.243 12.251 4.723 1.00 72.11 H new ATOM 0 HB3 LEU A 88 -1.202 13.651 4.554 1.00 72.11 H new ATOM 0 HG LEU A 88 -0.350 10.757 4.926 1.00 64.14 H new ATOM 0 HD11 LEU A 88 0.742 11.074 2.728 1.00 41.11 H new ATOM 0 HD12 LEU A 88 -1.016 11.336 2.648 1.00 41.11 H new ATOM 0 HD13 LEU A 88 0.091 12.728 2.654 1.00 41.11 H new ATOM 0 HD21 LEU A 88 1.994 11.509 4.837 1.00 1.32 H new ATOM 0 HD22 LEU A 88 1.448 13.201 4.911 1.00 1.32 H new ATOM 0 HD23 LEU A 88 1.147 12.107 6.283 1.00 1.32 H new ATOM 1458 N GLY A 89 -3.759 13.035 7.198 1.00 0.43 N ATOM 1459 CA GLY A 89 -5.082 13.642 7.297 1.00 75.53 C ATOM 1460 C GLY A 89 -5.592 14.099 5.934 1.00 30.52 C ATOM 1461 O GLY A 89 -6.399 15.032 5.847 1.00 4.24 O ATOM 0 H GLY A 89 -3.745 12.032 7.383 1.00 0.43 H new ATOM 0 HA2 GLY A 89 -5.781 12.924 7.726 1.00 75.53 H new ATOM 0 HA3 GLY A 89 -5.043 14.494 7.976 1.00 75.53 H new ATOM 1465 N ALA A 90 -5.107 13.433 4.863 1.00 24.04 N ATOM 1466 CA ALA A 90 -5.337 13.856 3.473 1.00 30.22 C ATOM 1467 C ALA A 90 -6.671 13.301 2.926 1.00 12.40 C ATOM 1468 O ALA A 90 -7.734 13.872 3.203 1.00 64.10 O ATOM 1469 CB ALA A 90 -4.125 13.483 2.588 1.00 23.31 C ATOM 0 H ALA A 90 -4.545 12.586 4.943 1.00 24.04 H new ATOM 0 HA ALA A 90 -5.431 14.942 3.450 1.00 30.22 H new ATOM 0 HB1 ALA A 90 -4.311 13.803 1.563 1.00 23.31 H new ATOM 0 HB2 ALA A 90 -3.232 13.980 2.967 1.00 23.31 H new ATOM 0 HB3 ALA A 90 -3.977 12.403 2.610 1.00 23.31 H new ATOM 1475 N LYS A 91 -6.622 12.166 2.191 1.00 52.34 N ATOM 1476 CA LYS A 91 -7.787 11.596 1.470 1.00 61.24 C ATOM 1477 C LYS A 91 -7.710 10.059 1.465 1.00 30.24 C ATOM 1478 O LYS A 91 -6.748 9.470 1.972 1.00 1.53 O ATOM 1479 CB LYS A 91 -7.859 12.126 0.002 1.00 3.43 C ATOM 1480 CG LYS A 91 -8.100 13.638 -0.151 1.00 60.45 C ATOM 1481 CD LYS A 91 -8.223 14.082 -1.623 1.00 41.04 C ATOM 1482 CE LYS A 91 -8.569 15.571 -1.753 1.00 74.12 C ATOM 1483 NZ LYS A 91 -9.867 15.908 -1.103 1.00 50.53 N ATOM 0 H LYS A 91 -5.770 11.616 2.080 1.00 52.34 H new ATOM 0 HA LYS A 91 -8.690 11.911 1.993 1.00 61.24 H new ATOM 0 HB2 LYS A 91 -6.926 11.873 -0.502 1.00 3.43 H new ATOM 0 HB3 LYS A 91 -8.657 11.595 -0.518 1.00 3.43 H new ATOM 0 HG2 LYS A 91 -9.010 13.911 0.383 1.00 60.45 H new ATOM 0 HG3 LYS A 91 -7.280 14.181 0.319 1.00 60.45 H new ATOM 0 HD2 LYS A 91 -7.285 13.882 -2.140 1.00 41.04 H new ATOM 0 HD3 LYS A 91 -8.992 13.488 -2.117 1.00 41.04 H new ATOM 0 HE2 LYS A 91 -7.775 16.167 -1.304 1.00 74.12 H new ATOM 0 HE3 LYS A 91 -8.612 15.841 -2.808 1.00 74.12 H new ATOM 0 HZ1 LYS A 91 -10.175 16.852 -1.412 1.00 50.53 H new ATOM 0 HZ2 LYS A 91 -10.583 15.204 -1.373 1.00 50.53 H new ATOM 0 HZ3 LYS A 91 -9.749 15.904 -0.070 1.00 50.53 H new ATOM 1497 N GLN A 92 -8.740 9.428 0.875 1.00 62.21 N ATOM 1498 CA GLN A 92 -8.840 7.963 0.762 1.00 3.33 C ATOM 1499 C GLN A 92 -8.308 7.509 -0.634 1.00 61.51 C ATOM 1500 O GLN A 92 -7.428 8.178 -1.204 1.00 43.05 O ATOM 1501 CB GLN A 92 -10.319 7.529 1.058 1.00 43.10 C ATOM 1502 CG GLN A 92 -10.481 6.077 1.573 1.00 20.21 C ATOM 1503 CD GLN A 92 -9.694 5.803 2.859 1.00 23.51 C ATOM 1504 OE1 GLN A 92 -10.210 5.979 3.968 1.00 42.31 O ATOM 1505 NE2 GLN A 92 -8.453 5.343 2.731 1.00 24.22 N ATOM 0 H GLN A 92 -9.530 9.923 0.461 1.00 62.21 H new ATOM 0 HA GLN A 92 -8.214 7.461 1.500 1.00 3.33 H new ATOM 0 HB2 GLN A 92 -10.742 8.210 1.796 1.00 43.10 H new ATOM 0 HB3 GLN A 92 -10.905 7.643 0.146 1.00 43.10 H new ATOM 0 HG2 GLN A 92 -11.538 5.877 1.751 1.00 20.21 H new ATOM 0 HG3 GLN A 92 -10.152 5.384 0.798 1.00 20.21 H new ATOM 0 HE21 GLN A 92 -8.053 5.207 1.803 1.00 24.22 H new ATOM 0 HE22 GLN A 92 -7.901 5.126 3.561 1.00 24.22 H new ATOM 1514 N SER A 93 -8.825 6.392 -1.189 1.00 23.12 N ATOM 1515 CA SER A 93 -8.213 5.726 -2.352 1.00 0.51 C ATOM 1516 C SER A 93 -9.276 5.233 -3.362 1.00 4.22 C ATOM 1517 O SER A 93 -10.425 4.961 -2.999 1.00 63.23 O ATOM 1518 CB SER A 93 -7.362 4.532 -1.845 1.00 61.43 C ATOM 1519 OG SER A 93 -6.764 3.825 -2.911 1.00 3.31 O ATOM 0 H SER A 93 -9.669 5.933 -0.846 1.00 23.12 H new ATOM 0 HA SER A 93 -7.586 6.447 -2.877 1.00 0.51 H new ATOM 0 HB2 SER A 93 -6.587 4.898 -1.171 1.00 61.43 H new ATOM 0 HB3 SER A 93 -7.992 3.855 -1.268 1.00 61.43 H new ATOM 0 HG SER A 93 -6.639 4.427 -3.674 1.00 3.31 H new ATOM 1525 N THR A 94 -8.867 5.141 -4.643 1.00 51.11 N ATOM 1526 CA THR A 94 -9.630 4.449 -5.698 1.00 30.33 C ATOM 1527 C THR A 94 -9.047 3.022 -5.831 1.00 34.03 C ATOM 1528 O THR A 94 -7.848 2.849 -6.073 1.00 44.12 O ATOM 1529 CB THR A 94 -9.594 5.238 -7.062 1.00 11.13 C ATOM 1530 OG1 THR A 94 -10.343 4.539 -8.075 1.00 61.43 O ATOM 1531 CG2 THR A 94 -8.160 5.508 -7.564 1.00 73.34 C ATOM 0 H THR A 94 -7.993 5.548 -4.976 1.00 51.11 H new ATOM 0 HA THR A 94 -10.684 4.394 -5.427 1.00 30.33 H new ATOM 0 HB THR A 94 -10.056 6.206 -6.867 1.00 11.13 H new ATOM 0 HG1 THR A 94 -10.310 5.045 -8.914 1.00 61.43 H new ATOM 0 HG21 THR A 94 -8.201 6.054 -8.506 1.00 73.34 H new ATOM 0 HG22 THR A 94 -7.621 6.100 -6.825 1.00 73.34 H new ATOM 0 HG23 THR A 94 -7.643 4.560 -7.716 1.00 73.34 H new ATOM 1539 N THR A 95 -9.898 2.006 -5.607 1.00 4.42 N ATOM 1540 CA THR A 95 -9.466 0.606 -5.448 1.00 64.31 C ATOM 1541 C THR A 95 -10.278 -0.337 -6.358 1.00 34.41 C ATOM 1542 O THR A 95 -11.511 -0.425 -6.238 1.00 55.34 O ATOM 1543 CB THR A 95 -9.612 0.142 -3.947 1.00 71.34 C ATOM 1544 OG1 THR A 95 -10.984 0.248 -3.513 1.00 23.41 O ATOM 1545 CG2 THR A 95 -8.740 0.975 -2.992 1.00 22.13 C ATOM 0 H THR A 95 -10.907 2.133 -5.531 1.00 4.42 H new ATOM 0 HA THR A 95 -8.417 0.555 -5.739 1.00 64.31 H new ATOM 0 HB THR A 95 -9.279 -0.895 -3.913 1.00 71.34 H new ATOM 0 HG1 THR A 95 -11.580 0.126 -4.281 1.00 23.41 H new ATOM 0 HG21 THR A 95 -8.875 0.618 -1.971 1.00 22.13 H new ATOM 0 HG22 THR A 95 -7.692 0.875 -3.276 1.00 22.13 H new ATOM 0 HG23 THR A 95 -9.034 2.023 -3.052 1.00 22.13 H new ATOM 1553 N THR A 96 -9.587 -1.000 -7.295 1.00 61.53 N ATOM 1554 CA THR A 96 -10.111 -2.153 -8.031 1.00 41.22 C ATOM 1555 C THR A 96 -9.865 -3.403 -7.159 1.00 42.33 C ATOM 1556 O THR A 96 -8.719 -3.780 -6.934 1.00 52.43 O ATOM 1557 CB THR A 96 -9.408 -2.281 -9.425 1.00 42.41 C ATOM 1558 OG1 THR A 96 -9.316 -0.980 -10.034 1.00 14.04 O ATOM 1559 CG2 THR A 96 -10.175 -3.220 -10.371 1.00 3.33 C ATOM 0 H THR A 96 -8.637 -0.746 -7.565 1.00 61.53 H new ATOM 0 HA THR A 96 -11.177 -2.038 -8.227 1.00 41.22 H new ATOM 0 HB THR A 96 -8.416 -2.702 -9.259 1.00 42.41 H new ATOM 0 HG1 THR A 96 -8.875 -1.057 -10.906 1.00 14.04 H new ATOM 0 HG21 THR A 96 -9.653 -3.280 -11.326 1.00 3.33 H new ATOM 0 HG22 THR A 96 -10.235 -4.214 -9.927 1.00 3.33 H new ATOM 0 HG23 THR A 96 -11.181 -2.833 -10.531 1.00 3.33 H new ATOM 1567 N THR A 97 -10.938 -4.029 -6.651 1.00 1.25 N ATOM 1568 CA THR A 97 -10.842 -4.968 -5.509 1.00 14.13 C ATOM 1569 C THR A 97 -11.336 -6.398 -5.843 1.00 64.50 C ATOM 1570 O THR A 97 -12.435 -6.586 -6.382 1.00 24.14 O ATOM 1571 CB THR A 97 -11.621 -4.406 -4.263 1.00 14.14 C ATOM 1572 OG1 THR A 97 -11.582 -5.340 -3.169 1.00 13.43 O ATOM 1573 CG2 THR A 97 -13.083 -4.057 -4.592 1.00 4.32 C ATOM 0 H THR A 97 -11.885 -3.906 -7.009 1.00 1.25 H new ATOM 0 HA THR A 97 -9.781 -5.050 -5.274 1.00 14.13 H new ATOM 0 HB THR A 97 -11.115 -3.485 -3.973 1.00 14.14 H new ATOM 0 HG1 THR A 97 -10.671 -5.385 -2.809 1.00 13.43 H new ATOM 0 HG21 THR A 97 -13.576 -3.674 -3.698 1.00 4.32 H new ATOM 0 HG22 THR A 97 -13.109 -3.298 -5.374 1.00 4.32 H new ATOM 0 HG23 THR A 97 -13.602 -4.951 -4.937 1.00 4.32 H new ATOM 1581 N ASP A 98 -10.456 -7.387 -5.567 1.00 21.24 N ATOM 1582 CA ASP A 98 -10.813 -8.816 -5.367 1.00 23.33 C ATOM 1583 C ASP A 98 -11.077 -9.610 -6.677 1.00 22.45 C ATOM 1584 O ASP A 98 -10.974 -10.842 -6.678 1.00 10.31 O ATOM 1585 CB ASP A 98 -12.011 -8.943 -4.363 1.00 3.10 C ATOM 1586 CG ASP A 98 -12.309 -10.386 -3.919 1.00 15.50 C ATOM 1587 OD1 ASP A 98 -11.462 -10.970 -3.226 1.00 14.22 O ATOM 1588 OD2 ASP A 98 -13.382 -10.938 -4.252 1.00 3.44 O ATOM 0 H ASP A 98 -9.455 -7.213 -5.474 1.00 21.24 H new ATOM 0 HA ASP A 98 -9.929 -9.287 -4.937 1.00 23.33 H new ATOM 0 HB2 ASP A 98 -11.797 -8.340 -3.481 1.00 3.10 H new ATOM 0 HB3 ASP A 98 -12.905 -8.525 -4.826 1.00 3.10 H new ATOM 1593 N GLY A 99 -11.395 -8.907 -7.781 1.00 12.23 N ATOM 1594 CA GLY A 99 -11.788 -9.554 -9.042 1.00 53.44 C ATOM 1595 C GLY A 99 -10.660 -10.324 -9.725 1.00 75.15 C ATOM 1596 O GLY A 99 -10.640 -11.562 -9.708 1.00 0.35 O ATOM 0 H GLY A 99 -11.386 -7.888 -7.822 1.00 12.23 H new ATOM 0 HA2 GLY A 99 -12.613 -10.238 -8.845 1.00 53.44 H new ATOM 0 HA3 GLY A 99 -12.161 -8.793 -9.727 1.00 53.44 H new ATOM 1600 N ASP A 100 -9.721 -9.588 -10.325 1.00 2.33 N ATOM 1601 CA ASP A 100 -8.617 -10.172 -11.122 1.00 44.04 C ATOM 1602 C ASP A 100 -7.271 -9.622 -10.638 1.00 74.11 C ATOM 1603 O ASP A 100 -6.348 -10.386 -10.337 1.00 23.05 O ATOM 1604 CB ASP A 100 -8.823 -9.863 -12.627 1.00 41.54 C ATOM 1605 CG ASP A 100 -7.727 -10.472 -13.524 1.00 3.41 C ATOM 1606 OD1 ASP A 100 -7.722 -11.712 -13.702 1.00 74.30 O ATOM 1607 OD2 ASP A 100 -6.874 -9.721 -14.059 1.00 34.25 O ATOM 0 H ASP A 100 -9.697 -8.569 -10.277 1.00 2.33 H new ATOM 0 HA ASP A 100 -8.617 -11.254 -10.989 1.00 44.04 H new ATOM 0 HB2 ASP A 100 -9.795 -10.245 -12.941 1.00 41.54 H new ATOM 0 HB3 ASP A 100 -8.843 -8.783 -12.771 1.00 41.54 H new ATOM 1612 N THR A 101 -7.154 -8.290 -10.597 1.00 14.24 N ATOM 1613 CA THR A 101 -5.983 -7.593 -10.044 1.00 43.52 C ATOM 1614 C THR A 101 -6.440 -6.572 -8.992 1.00 15.21 C ATOM 1615 O THR A 101 -7.266 -5.691 -9.291 1.00 63.21 O ATOM 1616 CB THR A 101 -5.138 -6.890 -11.164 1.00 3.11 C ATOM 1617 OG1 THR A 101 -5.995 -6.085 -11.993 1.00 72.11 O ATOM 1618 CG2 THR A 101 -4.374 -7.905 -12.042 1.00 64.45 C ATOM 0 H THR A 101 -7.874 -7.659 -10.949 1.00 14.24 H new ATOM 0 HA THR A 101 -5.338 -8.335 -9.574 1.00 43.52 H new ATOM 0 HB THR A 101 -4.400 -6.260 -10.667 1.00 3.11 H new ATOM 0 HG1 THR A 101 -6.696 -5.679 -11.442 1.00 72.11 H new ATOM 0 HG21 THR A 101 -3.804 -7.372 -12.803 1.00 64.45 H new ATOM 0 HG22 THR A 101 -3.694 -8.485 -11.419 1.00 64.45 H new ATOM 0 HG23 THR A 101 -5.085 -8.576 -12.525 1.00 64.45 H new ATOM 1626 N PHE A 102 -5.917 -6.712 -7.761 1.00 52.02 N ATOM 1627 CA PHE A 102 -6.185 -5.783 -6.664 1.00 63.12 C ATOM 1628 C PHE A 102 -5.255 -4.554 -6.853 1.00 43.34 C ATOM 1629 O PHE A 102 -4.043 -4.631 -6.614 1.00 50.53 O ATOM 1630 CB PHE A 102 -5.952 -6.501 -5.297 1.00 4.41 C ATOM 1631 CG PHE A 102 -6.748 -5.913 -4.132 1.00 64.54 C ATOM 1632 CD1 PHE A 102 -6.368 -4.716 -3.526 1.00 74.41 C ATOM 1633 CD2 PHE A 102 -7.885 -6.556 -3.644 1.00 23.24 C ATOM 1634 CE1 PHE A 102 -7.097 -4.188 -2.480 1.00 41.24 C ATOM 1635 CE2 PHE A 102 -8.610 -6.026 -2.600 1.00 44.51 C ATOM 1636 CZ PHE A 102 -8.218 -4.843 -2.019 1.00 52.23 C ATOM 0 H PHE A 102 -5.295 -7.478 -7.504 1.00 52.02 H new ATOM 0 HA PHE A 102 -7.221 -5.445 -6.668 1.00 63.12 H new ATOM 0 HB2 PHE A 102 -6.212 -7.554 -5.404 1.00 4.41 H new ATOM 0 HB3 PHE A 102 -4.890 -6.458 -5.054 1.00 4.41 H new ATOM 0 HD1 PHE A 102 -5.491 -4.195 -3.880 1.00 74.41 H new ATOM 0 HD2 PHE A 102 -8.203 -7.486 -4.093 1.00 23.24 H new ATOM 0 HE1 PHE A 102 -6.788 -3.260 -2.022 1.00 41.24 H new ATOM 0 HE2 PHE A 102 -9.488 -6.540 -2.237 1.00 44.51 H new ATOM 0 HZ PHE A 102 -8.789 -4.427 -1.202 1.00 52.23 H new ATOM 1646 N GLU A 103 -5.842 -3.439 -7.292 1.00 55.21 N ATOM 1647 CA GLU A 103 -5.117 -2.224 -7.707 1.00 12.12 C ATOM 1648 C GLU A 103 -5.595 -1.038 -6.855 1.00 51.10 C ATOM 1649 O GLU A 103 -6.778 -0.696 -6.889 1.00 10.14 O ATOM 1650 CB GLU A 103 -5.377 -1.982 -9.219 1.00 71.25 C ATOM 1651 CG GLU A 103 -4.658 -0.760 -9.836 1.00 31.42 C ATOM 1652 CD GLU A 103 -4.994 -0.584 -11.327 1.00 73.41 C ATOM 1653 OE1 GLU A 103 -4.367 -1.259 -12.173 1.00 3.03 O ATOM 1654 OE2 GLU A 103 -5.919 0.188 -11.656 1.00 65.12 O ATOM 0 H GLU A 103 -6.855 -3.348 -7.373 1.00 55.21 H new ATOM 0 HA GLU A 103 -4.044 -2.339 -7.555 1.00 12.12 H new ATOM 0 HB2 GLU A 103 -5.075 -2.874 -9.768 1.00 71.25 H new ATOM 0 HB3 GLU A 103 -6.450 -1.863 -9.370 1.00 71.25 H new ATOM 0 HG2 GLU A 103 -4.943 0.141 -9.292 1.00 31.42 H new ATOM 0 HG3 GLU A 103 -3.581 -0.876 -9.719 1.00 31.42 H new ATOM 1661 N VAL A 104 -4.683 -0.429 -6.083 1.00 30.25 N ATOM 1662 CA VAL A 104 -5.012 0.643 -5.122 1.00 75.43 C ATOM 1663 C VAL A 104 -4.182 1.896 -5.442 1.00 25.25 C ATOM 1664 O VAL A 104 -2.968 1.915 -5.230 1.00 60.21 O ATOM 1665 CB VAL A 104 -4.731 0.154 -3.646 1.00 13.12 C ATOM 1666 CG1 VAL A 104 -4.962 1.264 -2.596 1.00 14.21 C ATOM 1667 CG2 VAL A 104 -5.573 -1.096 -3.313 1.00 61.01 C ATOM 0 H VAL A 104 -3.691 -0.665 -6.105 1.00 30.25 H new ATOM 0 HA VAL A 104 -6.070 0.890 -5.207 1.00 75.43 H new ATOM 0 HB VAL A 104 -3.674 -0.110 -3.599 1.00 13.12 H new ATOM 0 HG11 VAL A 104 -4.754 0.872 -1.600 1.00 14.21 H new ATOM 0 HG12 VAL A 104 -4.298 2.103 -2.802 1.00 14.21 H new ATOM 0 HG13 VAL A 104 -5.998 1.601 -2.644 1.00 14.21 H new ATOM 0 HG21 VAL A 104 -5.363 -1.415 -2.292 1.00 61.01 H new ATOM 0 HG22 VAL A 104 -6.632 -0.857 -3.408 1.00 61.01 H new ATOM 0 HG23 VAL A 104 -5.319 -1.900 -4.004 1.00 61.01 H new ATOM 1677 N GLU A 105 -4.837 2.938 -5.975 1.00 34.42 N ATOM 1678 CA GLU A 105 -4.198 4.240 -6.206 1.00 5.35 C ATOM 1679 C GLU A 105 -4.751 5.246 -5.191 1.00 0.21 C ATOM 1680 O GLU A 105 -5.941 5.580 -5.212 1.00 13.13 O ATOM 1681 CB GLU A 105 -4.409 4.714 -7.667 1.00 1.00 C ATOM 1682 CG GLU A 105 -3.834 3.742 -8.723 1.00 63.44 C ATOM 1683 CD GLU A 105 -3.870 4.321 -10.142 1.00 3.20 C ATOM 1684 OE1 GLU A 105 -2.949 5.077 -10.505 1.00 11.31 O ATOM 1685 OE2 GLU A 105 -4.835 4.069 -10.885 1.00 52.01 O ATOM 0 H GLU A 105 -5.817 2.902 -6.256 1.00 34.42 H new ATOM 0 HA GLU A 105 -3.121 4.153 -6.064 1.00 5.35 H new ATOM 0 HB2 GLU A 105 -5.476 4.843 -7.848 1.00 1.00 H new ATOM 0 HB3 GLU A 105 -3.944 5.691 -7.794 1.00 1.00 H new ATOM 0 HG2 GLU A 105 -2.805 3.495 -8.462 1.00 63.44 H new ATOM 0 HG3 GLU A 105 -4.400 2.811 -8.700 1.00 63.44 H new ATOM 1692 N VAL A 106 -3.881 5.714 -4.285 1.00 30.23 N ATOM 1693 CA VAL A 106 -4.279 6.550 -3.143 1.00 61.14 C ATOM 1694 C VAL A 106 -4.008 8.021 -3.487 1.00 11.10 C ATOM 1695 O VAL A 106 -2.843 8.438 -3.578 1.00 25.34 O ATOM 1696 CB VAL A 106 -3.501 6.146 -1.827 1.00 21.35 C ATOM 1697 CG1 VAL A 106 -4.191 6.717 -0.562 1.00 20.55 C ATOM 1698 CG2 VAL A 106 -3.317 4.611 -1.725 1.00 33.01 C ATOM 0 H VAL A 106 -2.880 5.523 -4.323 1.00 30.23 H new ATOM 0 HA VAL A 106 -5.341 6.398 -2.952 1.00 61.14 H new ATOM 0 HB VAL A 106 -2.508 6.591 -1.887 1.00 21.35 H new ATOM 0 HG11 VAL A 106 -3.630 6.420 0.324 1.00 20.55 H new ATOM 0 HG12 VAL A 106 -4.222 7.805 -0.624 1.00 20.55 H new ATOM 0 HG13 VAL A 106 -5.207 6.328 -0.495 1.00 20.55 H new ATOM 0 HG21 VAL A 106 -2.779 4.369 -0.809 1.00 33.01 H new ATOM 0 HG22 VAL A 106 -4.294 4.128 -1.710 1.00 33.01 H new ATOM 0 HG23 VAL A 106 -2.749 4.255 -2.584 1.00 33.01 H new ATOM 1708 N ILE A 107 -5.082 8.794 -3.701 1.00 21.25 N ATOM 1709 CA ILE A 107 -4.983 10.201 -4.120 1.00 45.05 C ATOM 1710 C ILE A 107 -4.790 11.078 -2.875 1.00 43.23 C ATOM 1711 O ILE A 107 -5.749 11.371 -2.169 1.00 14.35 O ATOM 1712 CB ILE A 107 -6.269 10.650 -4.922 1.00 2.51 C ATOM 1713 CG1 ILE A 107 -6.557 9.667 -6.106 1.00 34.14 C ATOM 1714 CG2 ILE A 107 -6.144 12.113 -5.432 1.00 41.20 C ATOM 1715 CD1 ILE A 107 -5.476 9.594 -7.174 1.00 54.42 C ATOM 0 H ILE A 107 -6.041 8.464 -3.589 1.00 21.25 H new ATOM 0 HA ILE A 107 -4.128 10.315 -4.786 1.00 45.05 H new ATOM 0 HB ILE A 107 -7.114 10.615 -4.235 1.00 2.51 H new ATOM 0 HG12 ILE A 107 -6.708 8.668 -5.697 1.00 34.14 H new ATOM 0 HG13 ILE A 107 -7.493 9.962 -6.581 1.00 34.14 H new ATOM 0 HG21 ILE A 107 -7.047 12.386 -5.979 1.00 41.20 H new ATOM 0 HG22 ILE A 107 -6.017 12.785 -4.583 1.00 41.20 H new ATOM 0 HG23 ILE A 107 -5.281 12.196 -6.093 1.00 41.20 H new ATOM 0 HD11 ILE A 107 -5.775 8.885 -7.946 1.00 54.42 H new ATOM 0 HD12 ILE A 107 -5.337 10.579 -7.619 1.00 54.42 H new ATOM 0 HD13 ILE A 107 -4.540 9.265 -6.722 1.00 54.42 H new ATOM 1727 N LEU A 108 -3.536 11.452 -2.586 1.00 22.10 N ATOM 1728 CA LEU A 108 -3.194 12.254 -1.395 1.00 12.11 C ATOM 1729 C LEU A 108 -2.703 13.637 -1.838 1.00 4.21 C ATOM 1730 O LEU A 108 -1.550 13.802 -2.228 1.00 74.33 O ATOM 1731 CB LEU A 108 -2.114 11.507 -0.573 1.00 32.21 C ATOM 1732 CG LEU A 108 -2.527 10.087 -0.074 1.00 12.20 C ATOM 1733 CD1 LEU A 108 -1.325 9.322 0.481 1.00 33.44 C ATOM 1734 CD2 LEU A 108 -3.660 10.169 0.972 1.00 34.04 C ATOM 0 H LEU A 108 -2.732 11.211 -3.165 1.00 22.10 H new ATOM 0 HA LEU A 108 -4.072 12.392 -0.764 1.00 12.11 H new ATOM 0 HB2 LEU A 108 -1.215 11.414 -1.183 1.00 32.21 H new ATOM 0 HB3 LEU A 108 -1.851 12.117 0.291 1.00 32.21 H new ATOM 0 HG LEU A 108 -2.905 9.535 -0.934 1.00 12.20 H new ATOM 0 HD11 LEU A 108 -1.646 8.337 0.820 1.00 33.44 H new ATOM 0 HD12 LEU A 108 -0.573 9.210 -0.300 1.00 33.44 H new ATOM 0 HD13 LEU A 108 -0.898 9.873 1.319 1.00 33.44 H new ATOM 0 HD21 LEU A 108 -3.926 9.164 1.300 1.00 34.04 H new ATOM 0 HD22 LEU A 108 -3.323 10.753 1.828 1.00 34.04 H new ATOM 0 HD23 LEU A 108 -4.532 10.648 0.527 1.00 34.04 H new ATOM 1746 N GLU A 109 -3.584 14.635 -1.752 1.00 72.21 N ATOM 1747 CA GLU A 109 -3.314 15.987 -2.265 1.00 5.34 C ATOM 1748 C GLU A 109 -2.918 16.919 -1.106 1.00 0.11 C ATOM 1749 O GLU A 109 -3.780 17.448 -0.398 1.00 45.50 O ATOM 1750 CB GLU A 109 -4.554 16.504 -3.040 1.00 45.41 C ATOM 1751 CG GLU A 109 -4.977 15.581 -4.211 1.00 51.33 C ATOM 1752 CD GLU A 109 -6.125 16.146 -5.070 1.00 51.11 C ATOM 1753 OE1 GLU A 109 -5.858 16.910 -6.022 1.00 33.14 O ATOM 1754 OE2 GLU A 109 -7.301 15.852 -4.793 1.00 5.15 O ATOM 0 H GLU A 109 -4.505 14.533 -1.326 1.00 72.21 H new ATOM 0 HA GLU A 109 -2.475 15.964 -2.961 1.00 5.34 H new ATOM 0 HB2 GLU A 109 -5.390 16.606 -2.347 1.00 45.41 H new ATOM 0 HB3 GLU A 109 -4.340 17.499 -3.430 1.00 45.41 H new ATOM 0 HG2 GLU A 109 -4.112 15.402 -4.850 1.00 51.33 H new ATOM 0 HG3 GLU A 109 -5.280 14.615 -3.808 1.00 51.33 H new ATOM 1761 N LEU A 110 -1.592 17.054 -0.883 1.00 42.44 N ATOM 1762 CA LEU A 110 -1.017 17.943 0.156 1.00 22.54 C ATOM 1763 C LEU A 110 -0.324 19.150 -0.503 1.00 65.31 C ATOM 1764 O LEU A 110 0.859 19.437 -0.250 1.00 60.14 O ATOM 1765 CB LEU A 110 -0.030 17.180 1.094 1.00 61.15 C ATOM 1766 CG LEU A 110 -0.621 16.008 1.953 1.00 0.43 C ATOM 1767 CD1 LEU A 110 -0.839 14.733 1.116 1.00 1.32 C ATOM 1768 CD2 LEU A 110 0.263 15.717 3.184 1.00 45.52 C ATOM 0 H LEU A 110 -0.887 16.549 -1.419 1.00 42.44 H new ATOM 0 HA LEU A 110 -1.837 18.302 0.778 1.00 22.54 H new ATOM 0 HB2 LEU A 110 0.776 16.777 0.481 1.00 61.15 H new ATOM 0 HB3 LEU A 110 0.419 17.904 1.774 1.00 61.15 H new ATOM 0 HG LEU A 110 -1.599 16.334 2.308 1.00 0.43 H new ATOM 0 HD11 LEU A 110 -1.249 13.947 1.750 1.00 1.32 H new ATOM 0 HD12 LEU A 110 -1.535 14.945 0.305 1.00 1.32 H new ATOM 0 HD13 LEU A 110 0.113 14.404 0.700 1.00 1.32 H new ATOM 0 HD21 LEU A 110 -0.172 14.900 3.760 1.00 45.52 H new ATOM 0 HD22 LEU A 110 1.264 15.436 2.855 1.00 45.52 H new ATOM 0 HD23 LEU A 110 0.323 16.609 3.808 1.00 45.52 H new ATOM 1780 N GLU A 111 -1.078 19.850 -1.365 1.00 2.52 N ATOM 1781 CA GLU A 111 -0.651 21.140 -1.947 1.00 53.31 C ATOM 1782 C GLU A 111 -0.503 22.167 -0.815 1.00 21.21 C ATOM 1783 O GLU A 111 0.485 22.906 -0.739 1.00 10.31 O ATOM 1784 CB GLU A 111 -1.690 21.636 -2.987 1.00 11.11 C ATOM 1785 CG GLU A 111 -1.928 20.666 -4.159 1.00 51.13 C ATOM 1786 CD GLU A 111 -3.031 21.147 -5.120 1.00 5.31 C ATOM 1787 OE1 GLU A 111 -2.743 21.982 -6.003 1.00 63.24 O ATOM 1788 OE2 GLU A 111 -4.190 20.703 -4.984 1.00 24.35 O ATOM 0 H GLU A 111 -1.998 19.542 -1.680 1.00 2.52 H new ATOM 0 HA GLU A 111 0.304 21.012 -2.457 1.00 53.31 H new ATOM 0 HB2 GLU A 111 -2.638 21.813 -2.479 1.00 11.11 H new ATOM 0 HB3 GLU A 111 -1.358 22.594 -3.386 1.00 11.11 H new ATOM 0 HG2 GLU A 111 -0.999 20.540 -4.714 1.00 51.13 H new ATOM 0 HG3 GLU A 111 -2.199 19.687 -3.764 1.00 51.13 H new ATOM 1795 N HIS A 112 -1.509 22.165 0.077 1.00 51.11 N ATOM 1796 CA HIS A 112 -1.494 22.920 1.328 1.00 71.41 C ATOM 1797 C HIS A 112 -0.712 22.093 2.374 1.00 52.20 C ATOM 1798 O HIS A 112 -1.298 21.331 3.159 1.00 22.23 O ATOM 1799 CB HIS A 112 -2.938 23.212 1.808 1.00 23.34 C ATOM 1800 CG HIS A 112 -3.812 23.895 0.795 1.00 23.23 C ATOM 1801 ND1 HIS A 112 -4.935 23.310 0.262 1.00 11.44 N ATOM 1802 CD2 HIS A 112 -3.726 25.120 0.224 1.00 13.01 C ATOM 1803 CE1 HIS A 112 -5.504 24.135 -0.584 1.00 25.34 C ATOM 1804 NE2 HIS A 112 -4.795 25.243 -0.624 1.00 71.31 N ATOM 0 H HIS A 112 -2.366 21.628 -0.059 1.00 51.11 H new ATOM 0 HA HIS A 112 -1.007 23.884 1.182 1.00 71.41 H new ATOM 0 HB2 HIS A 112 -3.407 22.271 2.097 1.00 23.34 H new ATOM 0 HB3 HIS A 112 -2.890 23.832 2.703 1.00 23.34 H new ATOM 0 HD2 HIS A 112 -2.960 25.860 0.403 1.00 13.01 H new ATOM 0 HE1 HIS A 112 -6.402 23.939 -1.151 1.00 25.34 H new ATOM 0 HE2 HIS A 112 -5.007 26.062 -1.194 1.00 71.31 H new ATOM 1813 N HIS A 113 0.625 22.198 2.301 1.00 24.43 N ATOM 1814 CA HIS A 113 1.559 21.445 3.159 1.00 52.01 C ATOM 1815 C HIS A 113 1.365 21.808 4.654 1.00 63.31 C ATOM 1816 O HIS A 113 1.331 22.992 5.008 1.00 53.23 O ATOM 1817 CB HIS A 113 3.024 21.712 2.705 1.00 52.44 C ATOM 1818 CG HIS A 113 3.509 23.125 2.921 1.00 12.11 C ATOM 1819 ND1 HIS A 113 4.479 23.454 3.838 1.00 43.24 N ATOM 1820 CD2 HIS A 113 3.122 24.296 2.354 1.00 22.11 C ATOM 1821 CE1 HIS A 113 4.671 24.757 3.823 1.00 63.42 C ATOM 1822 NE2 HIS A 113 3.861 25.289 2.931 1.00 11.31 N ATOM 0 H HIS A 113 1.094 22.815 1.638 1.00 24.43 H new ATOM 0 HA HIS A 113 1.347 20.381 3.054 1.00 52.01 H new ATOM 0 HB2 HIS A 113 3.685 21.031 3.241 1.00 52.44 H new ATOM 0 HB3 HIS A 113 3.110 21.472 1.645 1.00 52.44 H new ATOM 0 HD2 HIS A 113 2.370 24.419 1.589 1.00 22.11 H new ATOM 0 HE1 HIS A 113 5.374 25.298 4.439 1.00 63.42 H new ATOM 0 HE2 HIS A 113 3.796 26.282 2.707 1.00 11.31 H new ATOM 1831 N HIS A 114 1.159 20.770 5.492 1.00 74.20 N ATOM 1832 CA HIS A 114 1.020 20.894 6.967 1.00 1.15 C ATOM 1833 C HIS A 114 -0.230 21.736 7.380 1.00 25.32 C ATOM 1834 O HIS A 114 -0.377 22.115 8.546 1.00 24.14 O ATOM 1835 CB HIS A 114 2.346 21.448 7.600 1.00 51.33 C ATOM 1836 CG HIS A 114 2.391 21.435 9.113 1.00 12.11 C ATOM 1837 ND1 HIS A 114 2.476 20.271 9.844 1.00 23.10 N ATOM 1838 CD2 HIS A 114 2.291 22.435 10.029 1.00 25.32 C ATOM 1839 CE1 HIS A 114 2.422 20.553 11.127 1.00 34.12 C ATOM 1840 NE2 HIS A 114 2.312 21.857 11.267 1.00 24.44 N ATOM 0 H HIS A 114 1.083 19.807 5.163 1.00 74.20 H new ATOM 0 HA HIS A 114 0.849 19.895 7.368 1.00 1.15 H new ATOM 0 HB2 HIS A 114 3.183 20.861 7.222 1.00 51.33 H new ATOM 0 HB3 HIS A 114 2.494 22.472 7.257 1.00 51.33 H new ATOM 0 HD2 HIS A 114 2.210 23.491 9.817 1.00 25.32 H new ATOM 0 HE1 HIS A 114 2.461 19.834 11.932 1.00 34.12 H new ATOM 0 HE2 HIS A 114 2.252 22.355 12.155 1.00 24.44 H new ATOM 1849 N HIS A 115 -1.155 21.996 6.426 1.00 1.45 N ATOM 1850 CA HIS A 115 -2.406 22.730 6.714 1.00 55.34 C ATOM 1851 C HIS A 115 -3.343 21.823 7.541 1.00 34.13 C ATOM 1852 O HIS A 115 -4.111 21.032 6.997 1.00 15.34 O ATOM 1853 CB HIS A 115 -3.081 23.216 5.406 1.00 33.15 C ATOM 1854 CG HIS A 115 -4.329 24.051 5.595 1.00 34.32 C ATOM 1855 ND1 HIS A 115 -4.301 25.423 5.715 1.00 73.33 N ATOM 1856 CD2 HIS A 115 -5.638 23.704 5.669 1.00 51.22 C ATOM 1857 CE1 HIS A 115 -5.528 25.878 5.848 1.00 2.32 C ATOM 1858 NE2 HIS A 115 -6.361 24.857 5.822 1.00 21.24 N ATOM 0 H HIS A 115 -1.057 21.708 5.452 1.00 1.45 H new ATOM 0 HA HIS A 115 -2.179 23.623 7.297 1.00 55.34 H new ATOM 0 HB2 HIS A 115 -2.356 23.799 4.837 1.00 33.15 H new ATOM 0 HB3 HIS A 115 -3.334 22.345 4.802 1.00 33.15 H new ATOM 0 HD2 HIS A 115 -6.037 22.702 5.617 1.00 51.22 H new ATOM 0 HE1 HIS A 115 -5.806 26.915 5.960 1.00 2.32 H new ATOM 0 HE2 HIS A 115 -7.376 24.916 5.903 1.00 21.24 H new ATOM 1867 N HIS A 116 -3.195 21.922 8.864 1.00 12.24 N ATOM 1868 CA HIS A 116 -3.946 21.127 9.851 1.00 30.10 C ATOM 1869 C HIS A 116 -5.011 21.995 10.548 1.00 60.01 C ATOM 1870 O HIS A 116 -6.042 21.476 11.005 1.00 3.34 O ATOM 1871 CB HIS A 116 -2.938 20.541 10.875 1.00 75.05 C ATOM 1872 CG HIS A 116 -3.552 19.849 12.065 1.00 40.00 C ATOM 1873 ND1 HIS A 116 -3.304 20.230 13.365 1.00 61.14 N ATOM 1874 CD2 HIS A 116 -4.395 18.791 12.143 1.00 72.11 C ATOM 1875 CE1 HIS A 116 -3.962 19.440 14.185 1.00 41.31 C ATOM 1876 NE2 HIS A 116 -4.630 18.556 13.471 1.00 41.50 N ATOM 0 H HIS A 116 -2.536 22.571 9.294 1.00 12.24 H new ATOM 0 HA HIS A 116 -4.472 20.312 9.354 1.00 30.10 H new ATOM 0 HB2 HIS A 116 -2.292 19.832 10.358 1.00 75.05 H new ATOM 0 HB3 HIS A 116 -2.301 21.349 11.235 1.00 75.05 H new ATOM 0 HD2 HIS A 116 -4.805 18.236 11.312 1.00 72.11 H new ATOM 0 HE1 HIS A 116 -3.956 19.505 15.263 1.00 41.31 H new ATOM 0 HE2 HIS A 116 -5.225 17.817 13.847 1.00 41.50 H new ATOM 1885 N HIS A 117 -4.735 23.319 10.612 1.00 15.21 N ATOM 1886 CA HIS A 117 -5.564 24.317 11.323 1.00 1.54 C ATOM 1887 C HIS A 117 -5.484 24.075 12.863 1.00 50.11 C ATOM 1888 O HIS A 117 -4.621 24.704 13.515 1.00 72.43 O ATOM 1889 CB HIS A 117 -7.029 24.351 10.780 1.00 21.52 C ATOM 1890 CG HIS A 117 -7.982 25.215 11.576 1.00 41.41 C ATOM 1891 ND1 HIS A 117 -8.797 24.711 12.565 1.00 63.33 N ATOM 1892 CD2 HIS A 117 -8.260 26.540 11.508 1.00 20.23 C ATOM 1893 CE1 HIS A 117 -9.530 25.682 13.071 1.00 43.43 C ATOM 1894 NE2 HIS A 117 -9.222 26.800 12.445 1.00 64.04 N ATOM 1895 OXT HIS A 117 -6.246 23.250 13.410 1.00 37.10 O ATOM 0 H HIS A 117 -3.916 23.729 10.163 1.00 15.21 H new ATOM 0 HA HIS A 117 -5.163 25.312 11.128 1.00 1.54 H new ATOM 0 HB2 HIS A 117 -7.011 24.708 9.750 1.00 21.52 H new ATOM 0 HB3 HIS A 117 -7.417 23.333 10.758 1.00 21.52 H new ATOM 0 HD2 HIS A 117 -7.807 27.256 10.839 1.00 20.23 H new ATOM 0 HE1 HIS A 117 -10.258 25.579 13.862 1.00 43.43 H new ATOM 0 HE2 HIS A 117 -9.635 27.714 12.630 1.00 64.04 H new TER 1904 HIS A 117