USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=30 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 :FLIP amide:sc= 0 F(o=-0.82,f=-0.1) USER MOD Set 1.2: A 93 SER OG : rot 130:sc= -0.103 USER MOD Set 2.1: A 14 CYS SG : rot -19:sc= -0.642! USER MOD Set 2.2: A 53 CYS SG : rot -71:sc= 1.04 USER MOD Set 3.1: A 16 ASN : amide:sc= -1.8 K(o=-1.8,f=-2.6!) USER MOD Set 3.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.3: A 51 GLN : amide:sc=-0.00492 X(o=-1.8,f=-2.2) USER MOD Set 4.1: A 23 TYR OH : rot 30:sc= 1.02 USER MOD Set 4.2: A 47 LYS NZ :NH3+ 151:sc= 1.57 (180deg=0.17) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= 1.05 (180deg=0.553) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -174:sc= 0.609 (180deg=0.558) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.68! USER MOD Single : A 26 TYR OH : rot 180:sc= -0.78 USER MOD Single : A 28 SER OG : rot -72:sc= 1.23 USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= 0.267 (180deg=0.245) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -102:sc= 0.164 (180deg=-0.022) USER MOD Single : A 39 LYS NZ :NH3+ 152:sc= 1.23 (180deg=0.793) USER MOD Single : A 43 LYS NZ :NH3+ -153:sc= 0.306 (180deg=0.0789) USER MOD Single : A 49 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0256) USER MOD Single : A 54 LYS NZ :NH3+ -169:sc= -0.0117 (180deg=-0.157) USER MOD Single : A 57 LYS NZ :NH3+ -141:sc= 1.94 (180deg=-1.78!) USER MOD Single : A 62 LYS NZ :NH3+ -132:sc= 0.652 (180deg=-0.0454) USER MOD Single : A 63 LYS NZ :NH3+ -167:sc= 1.6 (180deg=1.04) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -179:sc= -0.0425 (180deg=-0.0463) USER MOD Single : A 83 LYS NZ :NH3+ 159:sc= 0.736 (180deg=0.6) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -159:sc= 0.421 (180deg=-0.12) USER MOD Single : A 92 GLN : amide:sc= -0.0571 X(o=-0.057,f=-0.12) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -170:sc= -0.045 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS :FLIP no HD1:sc= -0.788 F(o=-1.8!,f=-0.79) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= -0.0138 X(o=-0.014,f=-0.014) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.0064) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.002 -15.457 7.567 1.00 22.24 N ATOM 2 CA MET A 1 9.076 -14.929 6.187 1.00 74.50 C ATOM 3 C MET A 1 9.374 -16.073 5.203 1.00 71.34 C ATOM 4 O MET A 1 10.055 -17.048 5.549 1.00 44.13 O ATOM 5 CB MET A 1 10.153 -13.816 6.073 1.00 71.44 C ATOM 6 CG MET A 1 9.858 -12.561 6.907 1.00 71.53 C ATOM 7 SD MET A 1 8.341 -11.725 6.388 1.00 24.43 S ATOM 8 CE MET A 1 8.199 -10.409 7.606 1.00 62.33 C ATOM 0 H1 MET A 1 8.397 -14.838 8.144 1.00 22.24 H new ATOM 0 H2 MET A 1 8.600 -16.416 7.551 1.00 22.24 H new ATOM 0 H3 MET A 1 9.957 -15.489 7.978 1.00 22.24 H new ATOM 0 HA MET A 1 8.112 -14.487 5.934 1.00 74.50 H new ATOM 0 HB2 MET A 1 11.115 -14.225 6.382 1.00 71.44 H new ATOM 0 HB3 MET A 1 10.251 -13.527 5.026 1.00 71.44 H new ATOM 0 HG2 MET A 1 9.775 -12.838 7.958 1.00 71.53 H new ATOM 0 HG3 MET A 1 10.696 -11.869 6.825 1.00 71.53 H new ATOM 0 HE1 MET A 1 7.306 -9.818 7.401 1.00 62.33 H new ATOM 0 HE2 MET A 1 8.126 -10.843 8.603 1.00 62.33 H new ATOM 0 HE3 MET A 1 9.078 -9.767 7.553 1.00 62.33 H new ATOM 20 N ALA A 2 8.864 -15.917 3.976 1.00 13.21 N ATOM 21 CA ALA A 2 8.994 -16.881 2.882 1.00 43.52 C ATOM 22 C ALA A 2 8.790 -16.121 1.562 1.00 3.12 C ATOM 23 O ALA A 2 7.651 -15.799 1.196 1.00 61.54 O ATOM 24 CB ALA A 2 7.965 -18.030 3.030 1.00 14.23 C ATOM 0 H ALA A 2 8.332 -15.088 3.710 1.00 13.21 H new ATOM 0 HA ALA A 2 9.982 -17.340 2.900 1.00 43.52 H new ATOM 0 HB1 ALA A 2 8.083 -18.732 2.205 1.00 14.23 H new ATOM 0 HB2 ALA A 2 8.132 -18.548 3.974 1.00 14.23 H new ATOM 0 HB3 ALA A 2 6.956 -17.619 3.015 1.00 14.23 H new ATOM 30 N GLY A 3 9.903 -15.773 0.891 1.00 1.40 N ATOM 31 CA GLY A 3 9.849 -15.103 -0.414 1.00 33.52 C ATOM 32 C GLY A 3 9.387 -16.037 -1.532 1.00 55.31 C ATOM 33 O GLY A 3 9.192 -17.238 -1.296 1.00 11.44 O ATOM 0 H GLY A 3 10.848 -15.946 1.233 1.00 1.40 H new ATOM 0 HA2 GLY A 3 9.172 -14.251 -0.354 1.00 33.52 H new ATOM 0 HA3 GLY A 3 10.836 -14.710 -0.658 1.00 33.52 H new ATOM 37 N LYS A 4 9.222 -15.474 -2.741 1.00 72.33 N ATOM 38 CA LYS A 4 8.759 -16.206 -3.942 1.00 23.00 C ATOM 39 C LYS A 4 7.373 -16.847 -3.697 1.00 71.21 C ATOM 40 O LYS A 4 7.279 -18.024 -3.311 1.00 42.11 O ATOM 41 CB LYS A 4 9.799 -17.284 -4.415 1.00 61.15 C ATOM 42 CG LYS A 4 9.379 -18.064 -5.693 1.00 1.14 C ATOM 43 CD LYS A 4 10.290 -19.280 -6.002 1.00 51.33 C ATOM 44 CE LYS A 4 9.769 -20.121 -7.184 1.00 62.31 C ATOM 45 NZ LYS A 4 10.655 -21.280 -7.479 1.00 10.40 N ATOM 0 H LYS A 4 9.407 -14.487 -2.918 1.00 72.33 H new ATOM 0 HA LYS A 4 8.664 -15.476 -4.746 1.00 23.00 H new ATOM 0 HB2 LYS A 4 10.754 -16.793 -4.601 1.00 61.15 H new ATOM 0 HB3 LYS A 4 9.959 -17.996 -3.606 1.00 61.15 H new ATOM 0 HG2 LYS A 4 8.352 -18.410 -5.577 1.00 1.14 H new ATOM 0 HG3 LYS A 4 9.392 -17.384 -6.545 1.00 1.14 H new ATOM 0 HD2 LYS A 4 11.297 -18.928 -6.226 1.00 51.33 H new ATOM 0 HD3 LYS A 4 10.363 -19.910 -5.116 1.00 51.33 H new ATOM 0 HE2 LYS A 4 8.765 -20.481 -6.958 1.00 62.31 H new ATOM 0 HE3 LYS A 4 9.690 -19.491 -8.070 1.00 62.31 H new ATOM 0 HZ1 LYS A 4 10.268 -21.818 -8.280 1.00 10.40 H new ATOM 0 HZ2 LYS A 4 11.607 -20.937 -7.720 1.00 10.40 H new ATOM 0 HZ3 LYS A 4 10.711 -21.896 -6.643 1.00 10.40 H new ATOM 59 N GLU A 5 6.310 -16.047 -3.873 1.00 23.31 N ATOM 60 CA GLU A 5 4.925 -16.536 -3.800 1.00 43.33 C ATOM 61 C GLU A 5 3.963 -15.468 -4.336 1.00 12.53 C ATOM 62 O GLU A 5 3.455 -15.575 -5.457 1.00 4.32 O ATOM 63 CB GLU A 5 4.530 -16.952 -2.348 1.00 24.13 C ATOM 64 CG GLU A 5 3.177 -17.686 -2.225 1.00 45.41 C ATOM 65 CD GLU A 5 3.138 -19.013 -3.004 1.00 14.42 C ATOM 66 OE1 GLU A 5 2.802 -19.002 -4.212 1.00 22.23 O ATOM 67 OE2 GLU A 5 3.467 -20.073 -2.424 1.00 54.24 O ATOM 0 H GLU A 5 6.385 -15.049 -4.069 1.00 23.31 H new ATOM 0 HA GLU A 5 4.853 -17.428 -4.422 1.00 43.33 H new ATOM 0 HB2 GLU A 5 5.313 -17.594 -1.944 1.00 24.13 H new ATOM 0 HB3 GLU A 5 4.499 -16.058 -1.726 1.00 24.13 H new ATOM 0 HG2 GLU A 5 2.971 -17.883 -1.173 1.00 45.41 H new ATOM 0 HG3 GLU A 5 2.382 -17.034 -2.589 1.00 45.41 H new ATOM 74 N LEU A 6 3.732 -14.429 -3.523 1.00 63.55 N ATOM 75 CA LEU A 6 2.742 -13.387 -3.818 1.00 12.55 C ATOM 76 C LEU A 6 3.471 -12.113 -4.274 1.00 62.23 C ATOM 77 O LEU A 6 4.077 -11.409 -3.456 1.00 51.14 O ATOM 78 CB LEU A 6 1.860 -13.152 -2.557 1.00 34.03 C ATOM 79 CG LEU A 6 1.115 -14.417 -1.993 1.00 43.44 C ATOM 80 CD1 LEU A 6 0.211 -14.069 -0.786 1.00 22.01 C ATOM 81 CD2 LEU A 6 0.312 -15.139 -3.100 1.00 45.21 C ATOM 0 H LEU A 6 4.227 -14.288 -2.642 1.00 63.55 H new ATOM 0 HA LEU A 6 2.081 -13.693 -4.629 1.00 12.55 H new ATOM 0 HB2 LEU A 6 2.491 -12.744 -1.767 1.00 34.03 H new ATOM 0 HB3 LEU A 6 1.116 -12.392 -2.795 1.00 34.03 H new ATOM 0 HG LEU A 6 1.883 -15.103 -1.634 1.00 43.44 H new ATOM 0 HD11 LEU A 6 -0.284 -14.973 -0.429 1.00 22.01 H new ATOM 0 HD12 LEU A 6 0.819 -13.648 0.015 1.00 22.01 H new ATOM 0 HD13 LEU A 6 -0.540 -13.341 -1.092 1.00 22.01 H new ATOM 0 HD21 LEU A 6 -0.191 -16.009 -2.677 1.00 45.21 H new ATOM 0 HD22 LEU A 6 -0.430 -14.457 -3.515 1.00 45.21 H new ATOM 0 HD23 LEU A 6 0.990 -15.461 -3.890 1.00 45.21 H new ATOM 93 N ARG A 7 3.442 -11.858 -5.599 1.00 74.31 N ATOM 94 CA ARG A 7 4.168 -10.741 -6.217 1.00 31.23 C ATOM 95 C ARG A 7 3.386 -9.436 -5.964 1.00 34.11 C ATOM 96 O ARG A 7 2.214 -9.319 -6.329 1.00 62.41 O ATOM 97 CB ARG A 7 4.371 -11.009 -7.748 1.00 32.03 C ATOM 98 CG ARG A 7 5.616 -10.339 -8.398 1.00 20.53 C ATOM 99 CD ARG A 7 5.605 -8.799 -8.381 1.00 30.41 C ATOM 100 NE ARG A 7 6.879 -8.231 -8.867 1.00 63.11 N ATOM 101 CZ ARG A 7 7.627 -7.330 -8.203 1.00 64.15 C ATOM 102 NH1 ARG A 7 7.255 -6.875 -7.013 1.00 51.32 N ATOM 103 NH2 ARG A 7 8.724 -6.846 -8.749 1.00 13.14 N ATOM 0 H ARG A 7 2.914 -12.422 -6.265 1.00 74.31 H new ATOM 0 HA ARG A 7 5.158 -10.644 -5.772 1.00 31.23 H new ATOM 0 HB2 ARG A 7 4.440 -12.086 -7.902 1.00 32.03 H new ATOM 0 HB3 ARG A 7 3.481 -10.668 -8.278 1.00 32.03 H new ATOM 0 HG2 ARG A 7 6.510 -10.687 -7.881 1.00 20.53 H new ATOM 0 HG3 ARG A 7 5.694 -10.676 -9.432 1.00 20.53 H new ATOM 0 HD2 ARG A 7 4.786 -8.435 -9.002 1.00 30.41 H new ATOM 0 HD3 ARG A 7 5.416 -8.449 -7.366 1.00 30.41 H new ATOM 0 HE ARG A 7 7.218 -8.546 -9.776 1.00 63.11 H new ATOM 0 HH11 ARG A 7 6.390 -7.208 -6.587 1.00 51.32 H new ATOM 0 HH12 ARG A 7 7.834 -6.192 -6.524 1.00 51.32 H new ATOM 0 HH21 ARG A 7 9.010 -7.154 -9.679 1.00 13.14 H new ATOM 0 HH22 ARG A 7 9.288 -6.163 -8.242 1.00 13.14 H new ATOM 117 N VAL A 8 4.053 -8.485 -5.299 1.00 51.32 N ATOM 118 CA VAL A 8 3.482 -7.182 -4.940 1.00 22.32 C ATOM 119 C VAL A 8 4.438 -6.052 -5.354 1.00 25.43 C ATOM 120 O VAL A 8 5.629 -6.073 -5.017 1.00 55.21 O ATOM 121 CB VAL A 8 3.183 -7.118 -3.401 1.00 54.24 C ATOM 122 CG1 VAL A 8 4.412 -7.516 -2.577 1.00 70.44 C ATOM 123 CG2 VAL A 8 2.638 -5.733 -2.966 1.00 35.21 C ATOM 0 H VAL A 8 5.018 -8.601 -4.991 1.00 51.32 H new ATOM 0 HA VAL A 8 2.541 -7.054 -5.475 1.00 22.32 H new ATOM 0 HB VAL A 8 2.396 -7.845 -3.202 1.00 54.24 H new ATOM 0 HG11 VAL A 8 4.172 -7.461 -1.515 1.00 70.44 H new ATOM 0 HG12 VAL A 8 4.706 -8.535 -2.830 1.00 70.44 H new ATOM 0 HG13 VAL A 8 5.234 -6.836 -2.798 1.00 70.44 H new ATOM 0 HG21 VAL A 8 2.446 -5.738 -1.893 1.00 35.21 H new ATOM 0 HG22 VAL A 8 3.373 -4.963 -3.200 1.00 35.21 H new ATOM 0 HG23 VAL A 8 1.711 -5.523 -3.499 1.00 35.21 H new ATOM 133 N GLU A 9 3.915 -5.098 -6.112 1.00 42.53 N ATOM 134 CA GLU A 9 4.628 -3.875 -6.497 1.00 74.33 C ATOM 135 C GLU A 9 4.047 -2.688 -5.716 1.00 31.00 C ATOM 136 O GLU A 9 2.975 -2.180 -6.064 1.00 2.31 O ATOM 137 CB GLU A 9 4.485 -3.644 -8.027 1.00 20.45 C ATOM 138 CG GLU A 9 5.207 -4.694 -8.898 1.00 24.11 C ATOM 139 CD GLU A 9 4.800 -4.629 -10.378 1.00 53.02 C ATOM 140 OE1 GLU A 9 3.819 -5.311 -10.760 1.00 1.23 O ATOM 141 OE2 GLU A 9 5.452 -3.899 -11.160 1.00 71.25 O ATOM 0 H GLU A 9 2.967 -5.148 -6.486 1.00 42.53 H new ATOM 0 HA GLU A 9 5.688 -3.973 -6.261 1.00 74.33 H new ATOM 0 HB2 GLU A 9 3.426 -3.641 -8.285 1.00 20.45 H new ATOM 0 HB3 GLU A 9 4.875 -2.656 -8.271 1.00 20.45 H new ATOM 0 HG2 GLU A 9 6.284 -4.547 -8.816 1.00 24.11 H new ATOM 0 HG3 GLU A 9 4.991 -5.690 -8.511 1.00 24.11 H new ATOM 148 N ILE A 10 4.738 -2.252 -4.648 1.00 50.15 N ATOM 149 CA ILE A 10 4.335 -1.043 -3.918 1.00 32.31 C ATOM 150 C ILE A 10 5.060 0.121 -4.593 1.00 41.22 C ATOM 151 O ILE A 10 6.283 0.238 -4.520 1.00 55.05 O ATOM 152 CB ILE A 10 4.719 -1.093 -2.394 1.00 64.45 C ATOM 153 CG1 ILE A 10 4.001 -2.271 -1.683 1.00 74.34 C ATOM 154 CG2 ILE A 10 4.429 0.259 -1.679 1.00 32.15 C ATOM 155 CD1 ILE A 10 2.483 -2.195 -1.676 1.00 53.53 C ATOM 0 H ILE A 10 5.568 -2.714 -4.277 1.00 50.15 H new ATOM 0 HA ILE A 10 3.250 -0.941 -3.951 1.00 32.31 H new ATOM 0 HB ILE A 10 5.794 -1.263 -2.332 1.00 64.45 H new ATOM 0 HG12 ILE A 10 4.300 -3.202 -2.165 1.00 74.34 H new ATOM 0 HG13 ILE A 10 4.351 -2.320 -0.652 1.00 74.34 H new ATOM 0 HG21 ILE A 10 4.708 0.182 -0.628 1.00 32.15 H new ATOM 0 HG22 ILE A 10 5.009 1.052 -2.151 1.00 32.15 H new ATOM 0 HG23 ILE A 10 3.367 0.491 -1.756 1.00 32.15 H new ATOM 0 HD11 ILE A 10 2.078 -3.063 -1.156 1.00 53.53 H new ATOM 0 HD12 ILE A 10 2.167 -1.286 -1.165 1.00 53.53 H new ATOM 0 HD13 ILE A 10 2.115 -2.182 -2.702 1.00 53.53 H new ATOM 167 N LYS A 11 4.292 0.975 -5.232 1.00 13.21 N ATOM 168 CA LYS A 11 4.797 1.946 -6.198 1.00 45.24 C ATOM 169 C LYS A 11 4.486 3.361 -5.702 1.00 71.40 C ATOM 170 O LYS A 11 3.371 3.637 -5.260 1.00 62.40 O ATOM 171 CB LYS A 11 4.155 1.660 -7.609 1.00 65.25 C ATOM 172 CG LYS A 11 5.181 1.454 -8.741 1.00 43.51 C ATOM 173 CD LYS A 11 6.007 2.726 -9.031 1.00 3.43 C ATOM 174 CE LYS A 11 7.177 2.464 -9.981 1.00 41.34 C ATOM 175 NZ LYS A 11 6.756 1.903 -11.291 1.00 31.41 N ATOM 0 H LYS A 11 3.282 1.021 -5.098 1.00 13.21 H new ATOM 0 HA LYS A 11 5.879 1.858 -6.300 1.00 45.24 H new ATOM 0 HB2 LYS A 11 3.528 0.772 -7.537 1.00 65.25 H new ATOM 0 HB3 LYS A 11 3.501 2.491 -7.873 1.00 65.25 H new ATOM 0 HG2 LYS A 11 5.855 0.641 -8.472 1.00 43.51 H new ATOM 0 HG3 LYS A 11 4.659 1.149 -9.648 1.00 43.51 H new ATOM 0 HD2 LYS A 11 5.356 3.487 -9.463 1.00 3.43 H new ATOM 0 HD3 LYS A 11 6.389 3.129 -8.093 1.00 3.43 H new ATOM 0 HE2 LYS A 11 7.715 3.397 -10.149 1.00 41.34 H new ATOM 0 HE3 LYS A 11 7.875 1.775 -9.506 1.00 41.34 H new ATOM 0 HZ1 LYS A 11 7.598 1.654 -11.849 1.00 31.41 H new ATOM 0 HZ2 LYS A 11 6.179 1.052 -11.135 1.00 31.41 H new ATOM 0 HZ3 LYS A 11 6.196 2.611 -11.808 1.00 31.41 H new ATOM 189 N ILE A 12 5.497 4.234 -5.729 1.00 64.33 N ATOM 190 CA ILE A 12 5.309 5.669 -5.526 1.00 63.43 C ATOM 191 C ILE A 12 5.266 6.314 -6.919 1.00 14.51 C ATOM 192 O ILE A 12 6.278 6.311 -7.637 1.00 73.14 O ATOM 193 CB ILE A 12 6.470 6.295 -4.659 1.00 41.23 C ATOM 194 CG1 ILE A 12 6.632 5.540 -3.290 1.00 44.44 C ATOM 195 CG2 ILE A 12 6.240 7.814 -4.443 1.00 41.44 C ATOM 196 CD1 ILE A 12 5.400 5.546 -2.393 1.00 11.20 C ATOM 0 H ILE A 12 6.467 3.964 -5.892 1.00 64.33 H new ATOM 0 HA ILE A 12 4.385 5.852 -4.977 1.00 63.43 H new ATOM 0 HB ILE A 12 7.403 6.173 -5.210 1.00 41.23 H new ATOM 0 HG12 ILE A 12 6.907 4.505 -3.495 1.00 44.44 H new ATOM 0 HG13 ILE A 12 7.462 5.988 -2.743 1.00 44.44 H new ATOM 0 HG21 ILE A 12 7.053 8.223 -3.843 1.00 41.44 H new ATOM 0 HG22 ILE A 12 6.212 8.319 -5.409 1.00 41.44 H new ATOM 0 HG23 ILE A 12 5.293 7.969 -3.925 1.00 41.44 H new ATOM 0 HD11 ILE A 12 5.616 5.000 -1.475 1.00 11.20 H new ATOM 0 HD12 ILE A 12 5.133 6.574 -2.149 1.00 11.20 H new ATOM 0 HD13 ILE A 12 4.569 5.069 -2.913 1.00 11.20 H new ATOM 208 N ASP A 13 4.091 6.833 -7.305 1.00 13.24 N ATOM 209 CA ASP A 13 3.888 7.426 -8.631 1.00 22.45 C ATOM 210 C ASP A 13 4.126 8.941 -8.543 1.00 25.02 C ATOM 211 O ASP A 13 3.274 9.691 -8.053 1.00 51.54 O ATOM 212 CB ASP A 13 2.468 7.109 -9.156 1.00 53.30 C ATOM 213 CG ASP A 13 2.228 7.615 -10.595 1.00 21.42 C ATOM 214 OD1 ASP A 13 2.581 6.899 -11.557 1.00 75.44 O ATOM 215 OD2 ASP A 13 1.684 8.731 -10.769 1.00 24.34 O ATOM 0 H ASP A 13 3.262 6.853 -6.711 1.00 13.24 H new ATOM 0 HA ASP A 13 4.598 6.997 -9.338 1.00 22.45 H new ATOM 0 HB2 ASP A 13 2.308 6.031 -9.125 1.00 53.30 H new ATOM 0 HB3 ASP A 13 1.732 7.560 -8.491 1.00 53.30 H new ATOM 220 N CYS A 14 5.314 9.356 -8.997 1.00 64.41 N ATOM 221 CA CYS A 14 5.762 10.757 -8.983 1.00 52.54 C ATOM 222 C CYS A 14 7.038 10.872 -9.820 1.00 25.30 C ATOM 223 O CYS A 14 7.127 11.698 -10.740 1.00 55.24 O ATOM 224 CB CYS A 14 6.027 11.250 -7.539 1.00 20.32 C ATOM 225 SG CYS A 14 6.629 12.954 -7.426 1.00 51.22 S ATOM 0 H CYS A 14 6.005 8.718 -9.392 1.00 64.41 H new ATOM 0 HA CYS A 14 4.976 11.384 -9.405 1.00 52.54 H new ATOM 0 HB2 CYS A 14 5.105 11.165 -6.965 1.00 20.32 H new ATOM 0 HB3 CYS A 14 6.756 10.589 -7.071 1.00 20.32 H new ATOM 0 HG CYS A 14 7.105 13.323 -8.578 1.00 51.22 H new ATOM 231 N GLY A 15 8.016 9.994 -9.498 1.00 71.44 N ATOM 232 CA GLY A 15 9.330 9.996 -10.151 1.00 63.41 C ATOM 233 C GLY A 15 10.142 11.248 -9.841 1.00 35.30 C ATOM 234 O GLY A 15 10.915 11.721 -10.687 1.00 24.43 O ATOM 0 H GLY A 15 7.911 9.273 -8.784 1.00 71.44 H new ATOM 0 HA2 GLY A 15 9.890 9.117 -9.832 1.00 63.41 H new ATOM 0 HA3 GLY A 15 9.195 9.914 -11.229 1.00 63.41 H new ATOM 238 N ASN A 16 9.933 11.797 -8.624 1.00 10.33 N ATOM 239 CA ASN A 16 10.643 12.999 -8.137 1.00 64.10 C ATOM 240 C ASN A 16 12.153 12.717 -8.046 1.00 32.51 C ATOM 241 O ASN A 16 12.542 11.580 -7.725 1.00 62.42 O ATOM 242 CB ASN A 16 10.086 13.457 -6.762 1.00 54.32 C ATOM 243 CG ASN A 16 10.764 14.742 -6.250 1.00 5.40 C ATOM 244 OD1 ASN A 16 11.748 14.696 -5.514 1.00 61.03 O ATOM 245 ND2 ASN A 16 10.270 15.895 -6.673 1.00 24.32 N ATOM 0 H ASN A 16 9.266 11.418 -7.951 1.00 10.33 H new ATOM 0 HA ASN A 16 10.479 13.809 -8.848 1.00 64.10 H new ATOM 0 HB2 ASN A 16 9.012 13.625 -6.846 1.00 54.32 H new ATOM 0 HB3 ASN A 16 10.228 12.660 -6.032 1.00 54.32 H new ATOM 0 HD21 ASN A 16 10.707 16.772 -6.389 1.00 24.32 H new ATOM 0 HD22 ASN A 16 9.453 15.907 -7.283 1.00 24.32 H new ATOM 252 N ASP A 17 12.968 13.768 -8.323 1.00 10.32 N ATOM 253 CA ASP A 17 14.426 13.666 -8.565 1.00 42.54 C ATOM 254 C ASP A 17 14.645 13.030 -9.960 1.00 65.12 C ATOM 255 O ASP A 17 15.041 13.716 -10.914 1.00 12.20 O ATOM 256 CB ASP A 17 15.170 12.903 -7.409 1.00 31.15 C ATOM 257 CG ASP A 17 16.619 12.509 -7.739 1.00 41.04 C ATOM 258 OD1 ASP A 17 17.540 13.315 -7.489 1.00 42.41 O ATOM 259 OD2 ASP A 17 16.845 11.373 -8.218 1.00 71.33 O ATOM 0 H ASP A 17 12.621 14.725 -8.385 1.00 10.32 H new ATOM 0 HA ASP A 17 14.871 14.661 -8.562 1.00 42.54 H new ATOM 0 HB2 ASP A 17 15.171 13.530 -6.518 1.00 31.15 H new ATOM 0 HB3 ASP A 17 14.608 12.002 -7.164 1.00 31.15 H new ATOM 264 N ASP A 18 14.305 11.734 -10.035 1.00 5.44 N ATOM 265 CA ASP A 18 14.283 10.893 -11.258 1.00 0.03 C ATOM 266 C ASP A 18 13.986 9.446 -10.796 1.00 52.11 C ATOM 267 O ASP A 18 13.893 9.198 -9.579 1.00 52.21 O ATOM 268 CB ASP A 18 15.622 10.952 -12.070 1.00 15.22 C ATOM 269 CG ASP A 18 15.440 10.611 -13.570 1.00 4.25 C ATOM 270 OD1 ASP A 18 15.538 9.424 -13.952 1.00 13.31 O ATOM 271 OD2 ASP A 18 15.174 11.537 -14.376 1.00 10.34 O ATOM 0 H ASP A 18 14.022 11.211 -9.206 1.00 5.44 H new ATOM 0 HA ASP A 18 13.519 11.266 -11.940 1.00 0.03 H new ATOM 0 HB2 ASP A 18 16.050 11.950 -11.980 1.00 15.22 H new ATOM 0 HB3 ASP A 18 16.337 10.257 -11.630 1.00 15.22 H new ATOM 276 N LYS A 19 13.802 8.515 -11.760 1.00 13.21 N ATOM 277 CA LYS A 19 13.700 7.054 -11.515 1.00 72.22 C ATOM 278 C LYS A 19 12.381 6.659 -10.802 1.00 12.44 C ATOM 279 O LYS A 19 11.852 7.392 -9.952 1.00 23.34 O ATOM 280 CB LYS A 19 14.952 6.519 -10.747 1.00 45.23 C ATOM 281 CG LYS A 19 15.046 4.980 -10.592 1.00 52.12 C ATOM 282 CD LYS A 19 16.316 4.539 -9.817 1.00 31.22 C ATOM 283 CE LYS A 19 16.446 3.010 -9.700 1.00 13.10 C ATOM 284 NZ LYS A 19 17.678 2.614 -8.957 1.00 4.54 N ATOM 0 H LYS A 19 13.719 8.760 -12.747 1.00 13.21 H new ATOM 0 HA LYS A 19 13.676 6.573 -12.493 1.00 72.22 H new ATOM 0 HB2 LYS A 19 15.847 6.868 -11.263 1.00 45.23 H new ATOM 0 HB3 LYS A 19 14.962 6.966 -9.753 1.00 45.23 H new ATOM 0 HG2 LYS A 19 14.161 4.616 -10.071 1.00 52.12 H new ATOM 0 HG3 LYS A 19 15.047 4.518 -11.579 1.00 52.12 H new ATOM 0 HD2 LYS A 19 17.198 4.936 -10.319 1.00 31.22 H new ATOM 0 HD3 LYS A 19 16.295 4.974 -8.818 1.00 31.22 H new ATOM 0 HE2 LYS A 19 15.570 2.609 -9.191 1.00 13.10 H new ATOM 0 HE3 LYS A 19 16.465 2.569 -10.697 1.00 13.10 H new ATOM 0 HZ1 LYS A 19 17.730 1.577 -8.899 1.00 4.54 H new ATOM 0 HZ2 LYS A 19 18.516 2.975 -9.456 1.00 4.54 H new ATOM 0 HZ3 LYS A 19 17.648 3.013 -7.997 1.00 4.54 H new ATOM 298 N GLU A 20 11.850 5.493 -11.190 1.00 3.14 N ATOM 299 CA GLU A 20 10.655 4.893 -10.582 1.00 43.11 C ATOM 300 C GLU A 20 11.019 4.217 -9.236 1.00 35.04 C ATOM 301 O GLU A 20 12.156 3.760 -9.054 1.00 43.03 O ATOM 302 CB GLU A 20 10.032 3.880 -11.579 1.00 22.41 C ATOM 303 CG GLU A 20 10.881 2.622 -11.858 1.00 4.11 C ATOM 304 CD GLU A 20 10.195 1.633 -12.811 1.00 31.43 C ATOM 305 OE1 GLU A 20 9.314 0.869 -12.352 1.00 34.44 O ATOM 306 OE2 GLU A 20 10.530 1.613 -14.019 1.00 72.23 O ATOM 0 H GLU A 20 12.243 4.932 -11.945 1.00 3.14 H new ATOM 0 HA GLU A 20 9.919 5.668 -10.368 1.00 43.11 H new ATOM 0 HB2 GLU A 20 9.062 3.565 -11.193 1.00 22.41 H new ATOM 0 HB3 GLU A 20 9.849 4.391 -12.524 1.00 22.41 H new ATOM 0 HG2 GLU A 20 11.838 2.924 -12.284 1.00 4.11 H new ATOM 0 HG3 GLU A 20 11.096 2.119 -10.915 1.00 4.11 H new ATOM 313 N THR A 21 10.066 4.187 -8.286 1.00 72.24 N ATOM 314 CA THR A 21 10.289 3.637 -6.931 1.00 63.32 C ATOM 315 C THR A 21 9.281 2.502 -6.648 1.00 73.03 C ATOM 316 O THR A 21 8.090 2.766 -6.483 1.00 33.12 O ATOM 317 CB THR A 21 10.164 4.765 -5.847 1.00 44.33 C ATOM 318 OG1 THR A 21 11.014 5.875 -6.199 1.00 24.34 O ATOM 319 CG2 THR A 21 10.548 4.265 -4.435 1.00 13.21 C ATOM 0 H THR A 21 9.121 4.542 -8.433 1.00 72.24 H new ATOM 0 HA THR A 21 11.299 3.230 -6.883 1.00 63.32 H new ATOM 0 HB THR A 21 9.119 5.075 -5.822 1.00 44.33 H new ATOM 0 HG1 THR A 21 10.932 6.578 -5.521 1.00 24.34 H new ATOM 0 HG21 THR A 21 10.446 5.081 -3.720 1.00 13.21 H new ATOM 0 HG22 THR A 21 9.889 3.446 -4.147 1.00 13.21 H new ATOM 0 HG23 THR A 21 11.580 3.915 -4.441 1.00 13.21 H new ATOM 327 N THR A 22 9.771 1.243 -6.617 1.00 62.31 N ATOM 328 CA THR A 22 8.934 0.049 -6.386 1.00 14.34 C ATOM 329 C THR A 22 9.502 -0.762 -5.206 1.00 71.53 C ATOM 330 O THR A 22 10.725 -0.840 -5.032 1.00 43.11 O ATOM 331 CB THR A 22 8.863 -0.861 -7.665 1.00 20.23 C ATOM 332 OG1 THR A 22 8.768 -0.038 -8.839 1.00 24.40 O ATOM 333 CG2 THR A 22 7.657 -1.808 -7.620 1.00 51.40 C ATOM 0 H THR A 22 10.759 1.028 -6.752 1.00 62.31 H new ATOM 0 HA THR A 22 7.924 0.386 -6.154 1.00 14.34 H new ATOM 0 HB THR A 22 9.771 -1.463 -7.695 1.00 20.23 H new ATOM 0 HG1 THR A 22 8.726 -0.608 -9.635 1.00 24.40 H new ATOM 0 HG21 THR A 22 7.642 -2.421 -8.521 1.00 51.40 H new ATOM 0 HG22 THR A 22 7.733 -2.452 -6.744 1.00 51.40 H new ATOM 0 HG23 THR A 22 6.738 -1.224 -7.563 1.00 51.40 H new ATOM 341 N TYR A 23 8.606 -1.352 -4.395 1.00 42.31 N ATOM 342 CA TYR A 23 8.980 -2.189 -3.247 1.00 12.43 C ATOM 343 C TYR A 23 8.435 -3.600 -3.444 1.00 32.13 C ATOM 344 O TYR A 23 7.233 -3.795 -3.683 1.00 12.23 O ATOM 345 CB TYR A 23 8.447 -1.580 -1.926 1.00 63.04 C ATOM 346 CG TYR A 23 9.060 -0.217 -1.605 1.00 33.03 C ATOM 347 CD1 TYR A 23 10.322 -0.131 -1.012 1.00 62.51 C ATOM 348 CD2 TYR A 23 8.410 0.975 -1.935 1.00 22.35 C ATOM 349 CE1 TYR A 23 10.902 1.088 -0.751 1.00 64.12 C ATOM 350 CE2 TYR A 23 8.996 2.200 -1.682 1.00 31.31 C ATOM 351 CZ TYR A 23 10.244 2.247 -1.093 1.00 33.44 C ATOM 352 OH TYR A 23 10.845 3.456 -0.847 1.00 4.52 O ATOM 0 H TYR A 23 7.598 -1.260 -4.520 1.00 42.31 H new ATOM 0 HA TYR A 23 10.067 -2.232 -3.181 1.00 12.43 H new ATOM 0 HB2 TYR A 23 7.364 -1.479 -1.991 1.00 63.04 H new ATOM 0 HB3 TYR A 23 8.654 -2.267 -1.106 1.00 63.04 H new ATOM 0 HD1 TYR A 23 10.851 -1.037 -0.754 1.00 62.51 H new ATOM 0 HD2 TYR A 23 7.434 0.938 -2.395 1.00 22.35 H new ATOM 0 HE1 TYR A 23 11.872 1.136 -0.279 1.00 64.12 H new ATOM 0 HE2 TYR A 23 8.482 3.114 -1.943 1.00 31.31 H new ATOM 0 HH TYR A 23 11.818 3.354 -0.897 1.00 4.52 H new ATOM 362 N ASP A 24 9.336 -4.571 -3.332 1.00 73.33 N ATOM 363 CA ASP A 24 9.026 -5.989 -3.449 1.00 24.00 C ATOM 364 C ASP A 24 8.938 -6.546 -2.028 1.00 23.52 C ATOM 365 O ASP A 24 9.967 -6.787 -1.393 1.00 41.13 O ATOM 366 CB ASP A 24 10.130 -6.724 -4.265 1.00 53.00 C ATOM 367 CG ASP A 24 10.526 -6.036 -5.590 1.00 12.11 C ATOM 368 OD1 ASP A 24 9.660 -5.435 -6.268 1.00 50.42 O ATOM 369 OD2 ASP A 24 11.709 -6.129 -5.979 1.00 61.01 O ATOM 0 H ASP A 24 10.323 -4.388 -3.153 1.00 73.33 H new ATOM 0 HA ASP A 24 8.085 -6.139 -3.978 1.00 24.00 H new ATOM 0 HB2 ASP A 24 11.019 -6.819 -3.642 1.00 53.00 H new ATOM 0 HB3 ASP A 24 9.786 -7.734 -4.486 1.00 53.00 H new ATOM 374 N LEU A 25 7.714 -6.676 -1.508 1.00 3.14 N ATOM 375 CA LEU A 25 7.480 -7.147 -0.128 1.00 72.24 C ATOM 376 C LEU A 25 7.490 -8.682 -0.091 1.00 73.41 C ATOM 377 O LEU A 25 8.166 -9.299 0.744 1.00 15.24 O ATOM 378 CB LEU A 25 6.123 -6.613 0.399 1.00 52.33 C ATOM 379 CG LEU A 25 5.858 -5.085 0.243 1.00 32.52 C ATOM 380 CD1 LEU A 25 4.485 -4.720 0.837 1.00 2.43 C ATOM 381 CD2 LEU A 25 6.989 -4.228 0.861 1.00 24.34 C ATOM 0 H LEU A 25 6.860 -6.461 -2.022 1.00 3.14 H new ATOM 0 HA LEU A 25 8.277 -6.769 0.512 1.00 72.24 H new ATOM 0 HB2 LEU A 25 5.325 -7.150 -0.114 1.00 52.33 H new ATOM 0 HB3 LEU A 25 6.047 -6.864 1.457 1.00 52.33 H new ATOM 0 HG LEU A 25 5.847 -4.857 -0.823 1.00 32.52 H new ATOM 0 HD11 LEU A 25 4.312 -3.650 0.722 1.00 2.43 H new ATOM 0 HD12 LEU A 25 3.704 -5.272 0.315 1.00 2.43 H new ATOM 0 HD13 LEU A 25 4.466 -4.979 1.896 1.00 2.43 H new ATOM 0 HD21 LEU A 25 6.759 -3.171 0.727 1.00 24.34 H new ATOM 0 HD22 LEU A 25 7.073 -4.449 1.925 1.00 24.34 H new ATOM 0 HD23 LEU A 25 7.932 -4.459 0.367 1.00 24.34 H new ATOM 393 N TYR A 26 6.750 -9.258 -1.053 1.00 54.05 N ATOM 394 CA TYR A 26 6.468 -10.693 -1.162 1.00 23.53 C ATOM 395 C TYR A 26 5.763 -11.226 0.092 1.00 41.12 C ATOM 396 O TYR A 26 6.405 -11.617 1.076 1.00 15.21 O ATOM 397 CB TYR A 26 7.733 -11.503 -1.560 1.00 25.22 C ATOM 398 CG TYR A 26 8.033 -11.372 -3.062 1.00 51.53 C ATOM 399 CD1 TYR A 26 8.566 -10.190 -3.587 1.00 45.02 C ATOM 400 CD2 TYR A 26 7.719 -12.396 -3.962 1.00 65.05 C ATOM 401 CE1 TYR A 26 8.782 -10.041 -4.943 1.00 35.52 C ATOM 402 CE2 TYR A 26 7.928 -12.237 -5.315 1.00 1.12 C ATOM 403 CZ TYR A 26 8.462 -11.065 -5.798 1.00 2.31 C ATOM 404 OH TYR A 26 8.653 -10.915 -7.153 1.00 64.45 O ATOM 0 H TYR A 26 6.318 -8.715 -1.801 1.00 54.05 H new ATOM 0 HA TYR A 26 5.763 -10.835 -1.981 1.00 23.53 H new ATOM 0 HB2 TYR A 26 8.589 -11.150 -0.984 1.00 25.22 H new ATOM 0 HB3 TYR A 26 7.589 -12.553 -1.306 1.00 25.22 H new ATOM 0 HD1 TYR A 26 8.813 -9.378 -2.919 1.00 45.02 H new ATOM 0 HD2 TYR A 26 7.307 -13.323 -3.592 1.00 65.05 H new ATOM 0 HE1 TYR A 26 9.201 -9.123 -5.328 1.00 35.52 H new ATOM 0 HE2 TYR A 26 7.672 -13.034 -5.997 1.00 1.12 H new ATOM 0 HH TYR A 26 8.377 -11.734 -7.615 1.00 64.45 H new ATOM 414 N PHE A 27 4.419 -11.203 0.028 1.00 61.01 N ATOM 415 CA PHE A 27 3.550 -11.585 1.142 1.00 71.41 C ATOM 416 C PHE A 27 3.723 -13.069 1.479 1.00 0.34 C ATOM 417 O PHE A 27 3.477 -13.945 0.640 1.00 22.11 O ATOM 418 CB PHE A 27 2.050 -11.305 0.820 1.00 73.44 C ATOM 419 CG PHE A 27 1.623 -9.841 0.758 1.00 22.11 C ATOM 420 CD1 PHE A 27 2.476 -8.858 0.267 1.00 15.11 C ATOM 421 CD2 PHE A 27 0.346 -9.456 1.184 1.00 53.21 C ATOM 422 CE1 PHE A 27 2.077 -7.547 0.206 1.00 40.23 C ATOM 423 CE2 PHE A 27 -0.045 -8.138 1.115 1.00 63.45 C ATOM 424 CZ PHE A 27 0.825 -7.190 0.625 1.00 54.14 C ATOM 0 H PHE A 27 3.908 -10.916 -0.807 1.00 61.01 H new ATOM 0 HA PHE A 27 3.843 -10.979 1.999 1.00 71.41 H new ATOM 0 HB2 PHE A 27 1.816 -11.768 -0.138 1.00 73.44 H new ATOM 0 HB3 PHE A 27 1.441 -11.805 1.573 1.00 73.44 H new ATOM 0 HD1 PHE A 27 3.465 -9.130 -0.071 1.00 15.11 H new ATOM 0 HD2 PHE A 27 -0.337 -10.198 1.569 1.00 53.21 H new ATOM 0 HE1 PHE A 27 2.753 -6.795 -0.174 1.00 40.23 H new ATOM 0 HE2 PHE A 27 -1.032 -7.848 1.444 1.00 63.45 H new ATOM 0 HZ PHE A 27 0.516 -6.156 0.571 1.00 54.14 H new ATOM 434 N SER A 28 4.170 -13.324 2.705 1.00 4.15 N ATOM 435 CA SER A 28 4.079 -14.636 3.338 1.00 3.24 C ATOM 436 C SER A 28 2.787 -14.637 4.182 1.00 51.31 C ATOM 437 O SER A 28 2.796 -14.926 5.387 1.00 34.02 O ATOM 438 CB SER A 28 5.356 -14.880 4.177 1.00 24.31 C ATOM 439 OG SER A 28 6.511 -14.436 3.484 1.00 72.52 O ATOM 0 H SER A 28 4.611 -12.617 3.294 1.00 4.15 H new ATOM 0 HA SER A 28 4.023 -15.451 2.617 1.00 3.24 H new ATOM 0 HB2 SER A 28 5.275 -14.357 5.130 1.00 24.31 H new ATOM 0 HB3 SER A 28 5.449 -15.942 4.404 1.00 24.31 H new ATOM 0 HG SER A 28 6.700 -15.045 2.740 1.00 72.52 H new ATOM 445 N LYS A 29 1.673 -14.268 3.494 1.00 73.52 N ATOM 446 CA LYS A 29 0.330 -14.078 4.083 1.00 55.13 C ATOM 447 C LYS A 29 0.297 -12.930 5.133 1.00 71.34 C ATOM 448 O LYS A 29 1.302 -12.248 5.337 1.00 64.41 O ATOM 449 CB LYS A 29 -0.225 -15.418 4.634 1.00 60.24 C ATOM 450 CG LYS A 29 -0.346 -16.534 3.568 1.00 34.53 C ATOM 451 CD LYS A 29 -1.047 -17.794 4.116 1.00 2.20 C ATOM 452 CE LYS A 29 -2.482 -17.510 4.578 1.00 52.31 C ATOM 453 NZ LYS A 29 -3.186 -18.739 5.019 1.00 3.04 N ATOM 0 H LYS A 29 1.690 -14.091 2.490 1.00 73.52 H new ATOM 0 HA LYS A 29 -0.339 -13.756 3.285 1.00 55.13 H new ATOM 0 HB2 LYS A 29 0.424 -15.766 5.437 1.00 60.24 H new ATOM 0 HB3 LYS A 29 -1.207 -15.240 5.072 1.00 60.24 H new ATOM 0 HG2 LYS A 29 -0.902 -16.155 2.711 1.00 34.53 H new ATOM 0 HG3 LYS A 29 0.648 -16.801 3.210 1.00 34.53 H new ATOM 0 HD2 LYS A 29 -1.062 -18.563 3.344 1.00 2.20 H new ATOM 0 HD3 LYS A 29 -0.471 -18.193 4.951 1.00 2.20 H new ATOM 0 HE2 LYS A 29 -2.462 -16.792 5.398 1.00 52.31 H new ATOM 0 HE3 LYS A 29 -3.039 -17.048 3.763 1.00 52.31 H new ATOM 0 HZ1 LYS A 29 -4.188 -18.522 5.192 1.00 3.04 H new ATOM 0 HZ2 LYS A 29 -3.112 -19.466 4.279 1.00 3.04 H new ATOM 0 HZ3 LYS A 29 -2.752 -19.092 5.896 1.00 3.04 H new ATOM 467 N ALA A 30 -0.876 -12.736 5.783 1.00 44.25 N ATOM 468 CA ALA A 30 -1.176 -11.550 6.634 1.00 5.34 C ATOM 469 C ALA A 30 -0.258 -11.406 7.855 1.00 5.33 C ATOM 470 O ALA A 30 0.081 -10.279 8.241 1.00 2.35 O ATOM 471 CB ALA A 30 -2.632 -11.601 7.102 1.00 34.11 C ATOM 0 H ALA A 30 -1.648 -13.400 5.734 1.00 44.25 H new ATOM 0 HA ALA A 30 -0.996 -10.678 6.005 1.00 5.34 H new ATOM 0 HB1 ALA A 30 -2.845 -10.731 7.724 1.00 34.11 H new ATOM 0 HB2 ALA A 30 -3.293 -11.598 6.235 1.00 34.11 H new ATOM 0 HB3 ALA A 30 -2.796 -12.510 7.681 1.00 34.11 H new ATOM 477 N GLU A 31 0.116 -12.550 8.455 1.00 32.14 N ATOM 478 CA GLU A 31 0.921 -12.595 9.688 1.00 14.34 C ATOM 479 C GLU A 31 2.279 -11.890 9.496 1.00 60.33 C ATOM 480 O GLU A 31 2.739 -11.144 10.364 1.00 22.13 O ATOM 481 CB GLU A 31 1.120 -14.072 10.135 1.00 12.21 C ATOM 482 CG GLU A 31 1.905 -14.249 11.454 1.00 44.30 C ATOM 483 CD GLU A 31 1.261 -13.526 12.656 1.00 21.43 C ATOM 484 OE1 GLU A 31 0.224 -14.010 13.168 1.00 10.11 O ATOM 485 OE2 GLU A 31 1.779 -12.477 13.091 1.00 54.14 O ATOM 0 H GLU A 31 -0.133 -13.472 8.097 1.00 32.14 H new ATOM 0 HA GLU A 31 0.384 -12.059 10.471 1.00 14.34 H new ATOM 0 HB2 GLU A 31 0.141 -14.539 10.246 1.00 12.21 H new ATOM 0 HB3 GLU A 31 1.642 -14.610 9.343 1.00 12.21 H new ATOM 0 HG2 GLU A 31 1.985 -15.312 11.680 1.00 44.30 H new ATOM 0 HG3 GLU A 31 2.920 -13.875 11.317 1.00 44.30 H new ATOM 492 N GLU A 32 2.924 -12.170 8.366 1.00 12.12 N ATOM 493 CA GLU A 32 4.170 -11.503 7.974 1.00 12.41 C ATOM 494 C GLU A 32 3.897 -10.130 7.327 1.00 34.35 C ATOM 495 O GLU A 32 4.634 -9.171 7.571 1.00 42.45 O ATOM 496 CB GLU A 32 4.973 -12.442 7.052 1.00 71.42 C ATOM 497 CG GLU A 32 5.284 -13.818 7.695 1.00 35.52 C ATOM 498 CD GLU A 32 6.060 -13.730 9.030 1.00 35.24 C ATOM 499 OE1 GLU A 32 7.306 -13.639 8.996 1.00 51.35 O ATOM 500 OE2 GLU A 32 5.428 -13.768 10.116 1.00 35.41 O ATOM 0 H GLU A 32 2.600 -12.865 7.694 1.00 12.12 H new ATOM 0 HA GLU A 32 4.768 -11.298 8.862 1.00 12.41 H new ATOM 0 HB2 GLU A 32 4.414 -12.598 6.129 1.00 71.42 H new ATOM 0 HB3 GLU A 32 5.910 -11.957 6.779 1.00 71.42 H new ATOM 0 HG2 GLU A 32 4.347 -14.347 7.866 1.00 35.52 H new ATOM 0 HG3 GLU A 32 5.862 -14.414 6.989 1.00 35.52 H new ATOM 507 N ALA A 33 2.800 -10.044 6.539 1.00 25.02 N ATOM 508 CA ALA A 33 2.453 -8.844 5.737 1.00 12.23 C ATOM 509 C ALA A 33 2.210 -7.602 6.614 1.00 21.44 C ATOM 510 O ALA A 33 2.518 -6.492 6.195 1.00 62.21 O ATOM 511 CB ALA A 33 1.231 -9.119 4.848 1.00 65.42 C ATOM 0 H ALA A 33 2.128 -10.805 6.440 1.00 25.02 H new ATOM 0 HA ALA A 33 3.313 -8.628 5.103 1.00 12.23 H new ATOM 0 HB1 ALA A 33 0.994 -8.226 4.269 1.00 65.42 H new ATOM 0 HB2 ALA A 33 1.452 -9.943 4.170 1.00 65.42 H new ATOM 0 HB3 ALA A 33 0.378 -9.383 5.473 1.00 65.42 H new ATOM 517 N LYS A 34 1.696 -7.814 7.840 1.00 14.41 N ATOM 518 CA LYS A 34 1.386 -6.729 8.805 1.00 23.35 C ATOM 519 C LYS A 34 2.651 -5.906 9.172 1.00 33.33 C ATOM 520 O LYS A 34 2.558 -4.726 9.519 1.00 64.11 O ATOM 521 CB LYS A 34 0.711 -7.321 10.076 1.00 52.11 C ATOM 522 CG LYS A 34 1.630 -8.215 10.936 1.00 51.24 C ATOM 523 CD LYS A 34 0.889 -8.951 12.080 1.00 74.21 C ATOM 524 CE LYS A 34 0.164 -8.006 13.053 1.00 74.12 C ATOM 525 NZ LYS A 34 -0.475 -8.754 14.176 1.00 62.31 N ATOM 0 H LYS A 34 1.481 -8.745 8.196 1.00 14.41 H new ATOM 0 HA LYS A 34 0.688 -6.041 8.328 1.00 23.35 H new ATOM 0 HB2 LYS A 34 0.345 -6.500 10.692 1.00 52.11 H new ATOM 0 HB3 LYS A 34 -0.159 -7.903 9.771 1.00 52.11 H new ATOM 0 HG2 LYS A 34 2.110 -8.952 10.293 1.00 51.24 H new ATOM 0 HG3 LYS A 34 2.422 -7.601 11.364 1.00 51.24 H new ATOM 0 HD2 LYS A 34 0.163 -9.640 11.647 1.00 74.21 H new ATOM 0 HD3 LYS A 34 1.606 -9.553 12.638 1.00 74.21 H new ATOM 0 HE2 LYS A 34 0.874 -7.283 13.455 1.00 74.12 H new ATOM 0 HE3 LYS A 34 -0.596 -7.441 12.513 1.00 74.12 H new ATOM 0 HZ1 LYS A 34 -0.954 -8.084 14.811 1.00 62.31 H new ATOM 0 HZ2 LYS A 34 -1.170 -9.426 13.794 1.00 62.31 H new ATOM 0 HZ3 LYS A 34 0.254 -9.273 14.706 1.00 62.31 H new ATOM 539 N GLU A 35 3.825 -6.562 9.102 1.00 60.03 N ATOM 540 CA GLU A 35 5.135 -5.920 9.310 1.00 45.21 C ATOM 541 C GLU A 35 5.528 -5.077 8.073 1.00 3.22 C ATOM 542 O GLU A 35 6.079 -3.975 8.201 1.00 52.25 O ATOM 543 CB GLU A 35 6.202 -7.006 9.601 1.00 44.42 C ATOM 544 CG GLU A 35 7.639 -6.483 9.818 1.00 25.23 C ATOM 545 CD GLU A 35 7.760 -5.493 10.994 1.00 41.41 C ATOM 546 OE1 GLU A 35 7.861 -5.935 12.157 1.00 64.22 O ATOM 547 OE2 GLU A 35 7.766 -4.270 10.762 1.00 3.53 O ATOM 0 H GLU A 35 3.890 -7.559 8.898 1.00 60.03 H new ATOM 0 HA GLU A 35 5.074 -5.247 10.166 1.00 45.21 H new ATOM 0 HB2 GLU A 35 5.898 -7.561 10.488 1.00 44.42 H new ATOM 0 HB3 GLU A 35 6.212 -7.712 8.771 1.00 44.42 H new ATOM 0 HG2 GLU A 35 8.303 -7.329 9.996 1.00 25.23 H new ATOM 0 HG3 GLU A 35 7.982 -5.995 8.905 1.00 25.23 H new ATOM 554 N LEU A 36 5.232 -5.616 6.874 1.00 45.33 N ATOM 555 CA LEU A 36 5.440 -4.900 5.597 1.00 42.53 C ATOM 556 C LEU A 36 4.544 -3.641 5.519 1.00 65.04 C ATOM 557 O LEU A 36 4.938 -2.649 4.919 1.00 2.31 O ATOM 558 CB LEU A 36 5.186 -5.823 4.368 1.00 24.04 C ATOM 559 CG LEU A 36 6.254 -6.937 4.067 1.00 12.15 C ATOM 560 CD1 LEU A 36 7.696 -6.370 4.015 1.00 13.01 C ATOM 561 CD2 LEU A 36 6.155 -8.147 5.019 1.00 40.45 C ATOM 0 H LEU A 36 4.845 -6.553 6.762 1.00 45.33 H new ATOM 0 HA LEU A 36 6.484 -4.589 5.568 1.00 42.53 H new ATOM 0 HB2 LEU A 36 4.221 -6.310 4.506 1.00 24.04 H new ATOM 0 HB3 LEU A 36 5.100 -5.191 3.484 1.00 24.04 H new ATOM 0 HG LEU A 36 6.014 -7.310 3.071 1.00 12.15 H new ATOM 0 HD11 LEU A 36 8.397 -7.178 3.804 1.00 13.01 H new ATOM 0 HD12 LEU A 36 7.763 -5.617 3.229 1.00 13.01 H new ATOM 0 HD13 LEU A 36 7.943 -5.916 4.975 1.00 13.01 H new ATOM 0 HD21 LEU A 36 6.919 -8.879 4.758 1.00 40.45 H new ATOM 0 HD22 LEU A 36 6.306 -7.815 6.046 1.00 40.45 H new ATOM 0 HD23 LEU A 36 5.169 -8.603 4.927 1.00 40.45 H new ATOM 573 N LEU A 37 3.351 -3.715 6.146 1.00 32.14 N ATOM 574 CA LEU A 37 2.394 -2.584 6.273 1.00 13.41 C ATOM 575 C LEU A 37 3.053 -1.382 6.962 1.00 52.33 C ATOM 576 O LEU A 37 2.918 -0.237 6.515 1.00 51.11 O ATOM 577 CB LEU A 37 1.138 -3.079 7.071 1.00 34.41 C ATOM 578 CG LEU A 37 0.032 -2.028 7.509 1.00 21.02 C ATOM 579 CD1 LEU A 37 -1.389 -2.658 7.481 1.00 22.24 C ATOM 580 CD2 LEU A 37 0.323 -1.439 8.920 1.00 25.25 C ATOM 0 H LEU A 37 3.016 -4.572 6.586 1.00 32.14 H new ATOM 0 HA LEU A 37 2.085 -2.251 5.282 1.00 13.41 H new ATOM 0 HB2 LEU A 37 0.645 -3.840 6.467 1.00 34.41 H new ATOM 0 HB3 LEU A 37 1.497 -3.572 7.974 1.00 34.41 H new ATOM 0 HG LEU A 37 0.068 -1.214 6.785 1.00 21.02 H new ATOM 0 HD11 LEU A 37 -2.124 -1.913 7.786 1.00 22.24 H new ATOM 0 HD12 LEU A 37 -1.616 -2.999 6.471 1.00 22.24 H new ATOM 0 HD13 LEU A 37 -1.425 -3.505 8.166 1.00 22.24 H new ATOM 0 HD21 LEU A 37 -0.456 -0.724 9.184 1.00 25.25 H new ATOM 0 HD22 LEU A 37 0.340 -2.245 9.654 1.00 25.25 H new ATOM 0 HD23 LEU A 37 1.290 -0.935 8.912 1.00 25.25 H new ATOM 592 N LYS A 38 3.769 -1.694 8.056 1.00 1.21 N ATOM 593 CA LYS A 38 4.486 -0.720 8.886 1.00 31.11 C ATOM 594 C LYS A 38 5.566 0.008 8.063 1.00 43.03 C ATOM 595 O LYS A 38 5.693 1.239 8.116 1.00 31.40 O ATOM 596 CB LYS A 38 5.125 -1.479 10.076 1.00 14.02 C ATOM 597 CG LYS A 38 5.812 -0.596 11.140 1.00 75.43 C ATOM 598 CD LYS A 38 6.634 -1.426 12.151 1.00 41.42 C ATOM 599 CE LYS A 38 5.811 -2.492 12.901 1.00 32.12 C ATOM 600 NZ LYS A 38 6.692 -3.455 13.621 1.00 11.50 N ATOM 0 H LYS A 38 3.865 -2.652 8.392 1.00 1.21 H new ATOM 0 HA LYS A 38 3.793 0.036 9.254 1.00 31.11 H new ATOM 0 HB2 LYS A 38 4.350 -2.069 10.565 1.00 14.02 H new ATOM 0 HB3 LYS A 38 5.860 -2.181 9.683 1.00 14.02 H new ATOM 0 HG2 LYS A 38 6.467 0.122 10.645 1.00 75.43 H new ATOM 0 HG3 LYS A 38 5.056 -0.021 11.675 1.00 75.43 H new ATOM 0 HD2 LYS A 38 7.451 -1.917 11.623 1.00 41.42 H new ATOM 0 HD3 LYS A 38 7.085 -0.751 12.879 1.00 41.42 H new ATOM 0 HE2 LYS A 38 5.145 -2.005 13.613 1.00 32.12 H new ATOM 0 HE3 LYS A 38 5.182 -3.032 12.193 1.00 32.12 H new ATOM 0 HZ1 LYS A 38 6.753 -4.341 13.080 1.00 11.50 H new ATOM 0 HZ2 LYS A 38 7.643 -3.046 13.724 1.00 11.50 H new ATOM 0 HZ3 LYS A 38 6.296 -3.651 14.562 1.00 11.50 H new ATOM 614 N LYS A 39 6.318 -0.785 7.282 1.00 41.03 N ATOM 615 CA LYS A 39 7.388 -0.284 6.403 1.00 50.33 C ATOM 616 C LYS A 39 6.821 0.610 5.280 1.00 42.14 C ATOM 617 O LYS A 39 7.353 1.693 5.048 1.00 22.13 O ATOM 618 CB LYS A 39 8.237 -1.473 5.831 1.00 20.43 C ATOM 619 CG LYS A 39 9.484 -1.848 6.681 1.00 60.12 C ATOM 620 CD LYS A 39 9.163 -2.199 8.158 1.00 12.30 C ATOM 621 CE LYS A 39 10.433 -2.435 8.997 1.00 54.31 C ATOM 622 NZ LYS A 39 10.114 -2.747 10.417 1.00 2.55 N ATOM 0 H LYS A 39 6.200 -1.797 7.242 1.00 41.03 H new ATOM 0 HA LYS A 39 8.053 0.340 6.999 1.00 50.33 H new ATOM 0 HB2 LYS A 39 7.596 -2.350 5.744 1.00 20.43 H new ATOM 0 HB3 LYS A 39 8.565 -1.216 4.824 1.00 20.43 H new ATOM 0 HG2 LYS A 39 9.984 -2.698 6.217 1.00 60.12 H new ATOM 0 HG3 LYS A 39 10.187 -1.015 6.661 1.00 60.12 H new ATOM 0 HD2 LYS A 39 8.583 -1.390 8.602 1.00 12.30 H new ATOM 0 HD3 LYS A 39 8.540 -3.093 8.189 1.00 12.30 H new ATOM 0 HE2 LYS A 39 11.005 -3.256 8.565 1.00 54.31 H new ATOM 0 HE3 LYS A 39 11.066 -1.548 8.954 1.00 54.31 H new ATOM 0 HZ1 LYS A 39 10.869 -3.338 10.821 1.00 2.55 H new ATOM 0 HZ2 LYS A 39 10.040 -1.862 10.959 1.00 2.55 H new ATOM 0 HZ3 LYS A 39 9.210 -3.259 10.465 1.00 2.55 H new ATOM 636 N VAL A 40 5.717 0.168 4.626 1.00 65.25 N ATOM 637 CA VAL A 40 5.062 0.922 3.524 1.00 45.12 C ATOM 638 C VAL A 40 4.549 2.294 4.022 1.00 13.44 C ATOM 639 O VAL A 40 4.606 3.284 3.282 1.00 15.02 O ATOM 640 CB VAL A 40 3.884 0.083 2.865 1.00 14.03 C ATOM 641 CG1 VAL A 40 3.049 0.912 1.853 1.00 63.44 C ATOM 642 CG2 VAL A 40 4.433 -1.192 2.181 1.00 42.33 C ATOM 0 H VAL A 40 5.257 -0.716 4.845 1.00 65.25 H new ATOM 0 HA VAL A 40 5.813 1.098 2.754 1.00 45.12 H new ATOM 0 HB VAL A 40 3.216 -0.202 3.678 1.00 14.03 H new ATOM 0 HG11 VAL A 40 2.259 0.288 1.435 1.00 63.44 H new ATOM 0 HG12 VAL A 40 2.604 1.767 2.362 1.00 63.44 H new ATOM 0 HG13 VAL A 40 3.696 1.265 1.050 1.00 63.44 H new ATOM 0 HG21 VAL A 40 3.609 -1.750 1.737 1.00 42.33 H new ATOM 0 HG22 VAL A 40 5.142 -0.911 1.402 1.00 42.33 H new ATOM 0 HG23 VAL A 40 4.936 -1.814 2.921 1.00 42.33 H new ATOM 652 N ALA A 41 4.087 2.337 5.294 1.00 43.02 N ATOM 653 CA ALA A 41 3.644 3.587 5.952 1.00 41.15 C ATOM 654 C ALA A 41 4.772 4.635 5.996 1.00 11.33 C ATOM 655 O ALA A 41 4.560 5.805 5.664 1.00 10.40 O ATOM 656 CB ALA A 41 3.104 3.290 7.362 1.00 65.14 C ATOM 0 H ALA A 41 4.012 1.512 5.889 1.00 43.02 H new ATOM 0 HA ALA A 41 2.835 4.011 5.357 1.00 41.15 H new ATOM 0 HB1 ALA A 41 2.783 4.220 7.832 1.00 65.14 H new ATOM 0 HB2 ALA A 41 2.257 2.608 7.291 1.00 65.14 H new ATOM 0 HB3 ALA A 41 3.889 2.832 7.963 1.00 65.14 H new ATOM 662 N GLU A 42 5.971 4.166 6.370 1.00 3.52 N ATOM 663 CA GLU A 42 7.179 4.999 6.493 1.00 4.23 C ATOM 664 C GLU A 42 7.765 5.355 5.110 1.00 5.10 C ATOM 665 O GLU A 42 8.207 6.487 4.892 1.00 53.44 O ATOM 666 CB GLU A 42 8.216 4.248 7.364 1.00 31.34 C ATOM 667 CG GLU A 42 7.708 3.924 8.784 1.00 24.54 C ATOM 668 CD GLU A 42 8.676 3.045 9.585 1.00 50.41 C ATOM 669 OE1 GLU A 42 9.723 3.560 10.035 1.00 42.31 O ATOM 670 OE2 GLU A 42 8.410 1.829 9.749 1.00 22.12 O ATOM 0 H GLU A 42 6.133 3.185 6.599 1.00 3.52 H new ATOM 0 HA GLU A 42 6.916 5.942 6.972 1.00 4.23 H new ATOM 0 HB2 GLU A 42 8.493 3.319 6.865 1.00 31.34 H new ATOM 0 HB3 GLU A 42 9.121 4.852 7.439 1.00 31.34 H new ATOM 0 HG2 GLU A 42 7.541 4.856 9.325 1.00 24.54 H new ATOM 0 HG3 GLU A 42 6.744 3.420 8.712 1.00 24.54 H new ATOM 677 N LYS A 43 7.726 4.380 4.172 1.00 25.14 N ATOM 678 CA LYS A 43 8.371 4.506 2.848 1.00 5.14 C ATOM 679 C LYS A 43 7.584 5.439 1.919 1.00 15.34 C ATOM 680 O LYS A 43 8.178 6.086 1.063 1.00 71.01 O ATOM 681 CB LYS A 43 8.576 3.113 2.173 1.00 33.22 C ATOM 682 CG LYS A 43 9.581 2.147 2.874 1.00 50.55 C ATOM 683 CD LYS A 43 10.995 2.759 3.144 1.00 70.44 C ATOM 684 CE LYS A 43 11.156 3.344 4.565 1.00 22.54 C ATOM 685 NZ LYS A 43 12.447 4.073 4.727 1.00 63.51 N ATOM 0 H LYS A 43 7.249 3.489 4.312 1.00 25.14 H new ATOM 0 HA LYS A 43 9.352 4.949 3.019 1.00 5.14 H new ATOM 0 HB2 LYS A 43 7.608 2.616 2.114 1.00 33.22 H new ATOM 0 HB3 LYS A 43 8.914 3.275 1.150 1.00 33.22 H new ATOM 0 HG2 LYS A 43 9.152 1.825 3.823 1.00 50.55 H new ATOM 0 HG3 LYS A 43 9.697 1.256 2.258 1.00 50.55 H new ATOM 0 HD2 LYS A 43 11.750 1.988 2.990 1.00 70.44 H new ATOM 0 HD3 LYS A 43 11.187 3.544 2.413 1.00 70.44 H new ATOM 0 HE2 LYS A 43 10.328 4.022 4.774 1.00 22.54 H new ATOM 0 HE3 LYS A 43 11.100 2.538 5.297 1.00 22.54 H new ATOM 0 HZ1 LYS A 43 12.736 4.050 5.726 1.00 63.51 H new ATOM 0 HZ2 LYS A 43 13.178 3.618 4.144 1.00 63.51 H new ATOM 0 HZ3 LYS A 43 12.328 5.061 4.424 1.00 63.51 H new ATOM 699 N ALA A 44 6.252 5.484 2.084 1.00 15.51 N ATOM 700 CA ALA A 44 5.387 6.425 1.349 1.00 41.53 C ATOM 701 C ALA A 44 5.565 7.839 1.921 1.00 71.24 C ATOM 702 O ALA A 44 5.702 8.811 1.167 1.00 22.44 O ATOM 703 CB ALA A 44 3.916 5.972 1.423 1.00 10.03 C ATOM 0 H ALA A 44 5.746 4.874 2.726 1.00 15.51 H new ATOM 0 HA ALA A 44 5.675 6.438 0.298 1.00 41.53 H new ATOM 0 HB1 ALA A 44 3.290 6.677 0.876 1.00 10.03 H new ATOM 0 HB2 ALA A 44 3.818 4.981 0.981 1.00 10.03 H new ATOM 0 HB3 ALA A 44 3.598 5.938 2.465 1.00 10.03 H new ATOM 709 N ALA A 45 5.627 7.907 3.268 1.00 12.42 N ATOM 710 CA ALA A 45 5.757 9.162 4.033 1.00 31.04 C ATOM 711 C ALA A 45 7.030 9.948 3.666 1.00 61.32 C ATOM 712 O ALA A 45 6.988 11.183 3.607 1.00 55.22 O ATOM 713 CB ALA A 45 5.728 8.862 5.540 1.00 40.32 C ATOM 0 H ALA A 45 5.587 7.078 3.862 1.00 12.42 H new ATOM 0 HA ALA A 45 4.909 9.793 3.769 1.00 31.04 H new ATOM 0 HB1 ALA A 45 5.824 9.793 6.098 1.00 40.32 H new ATOM 0 HB2 ALA A 45 4.784 8.381 5.797 1.00 40.32 H new ATOM 0 HB3 ALA A 45 6.555 8.199 5.795 1.00 40.32 H new ATOM 719 N ASP A 46 8.145 9.218 3.419 1.00 65.25 N ATOM 720 CA ASP A 46 9.447 9.821 3.036 1.00 25.22 C ATOM 721 C ASP A 46 9.303 10.738 1.806 1.00 1.32 C ATOM 722 O ASP A 46 9.732 11.896 1.819 1.00 3.41 O ATOM 723 CB ASP A 46 10.503 8.728 2.707 1.00 41.33 C ATOM 724 CG ASP A 46 10.891 7.821 3.890 1.00 44.21 C ATOM 725 OD1 ASP A 46 11.014 8.319 5.027 1.00 1.02 O ATOM 726 OD2 ASP A 46 11.123 6.607 3.677 1.00 24.04 O ATOM 0 H ASP A 46 8.168 8.200 3.479 1.00 65.25 H new ATOM 0 HA ASP A 46 9.779 10.407 3.893 1.00 25.22 H new ATOM 0 HB2 ASP A 46 10.118 8.103 1.901 1.00 41.33 H new ATOM 0 HB3 ASP A 46 11.403 9.215 2.331 1.00 41.33 H new ATOM 731 N LYS A 47 8.644 10.199 0.768 1.00 3.52 N ATOM 732 CA LYS A 47 8.525 10.858 -0.546 1.00 2.22 C ATOM 733 C LYS A 47 7.621 12.085 -0.439 1.00 23.03 C ATOM 734 O LYS A 47 7.888 13.083 -1.090 1.00 22.20 O ATOM 735 CB LYS A 47 8.011 9.883 -1.654 1.00 14.23 C ATOM 736 CG LYS A 47 9.050 8.828 -2.134 1.00 44.14 C ATOM 737 CD LYS A 47 9.505 7.892 -1.001 1.00 3.32 C ATOM 738 CE LYS A 47 10.523 6.836 -1.416 1.00 2.21 C ATOM 739 NZ LYS A 47 10.924 6.026 -0.237 1.00 54.14 N ATOM 0 H LYS A 47 8.178 9.293 0.814 1.00 3.52 H new ATOM 0 HA LYS A 47 9.524 11.176 -0.846 1.00 2.22 H new ATOM 0 HB2 LYS A 47 7.132 9.360 -1.278 1.00 14.23 H new ATOM 0 HB3 LYS A 47 7.689 10.471 -2.513 1.00 14.23 H new ATOM 0 HG2 LYS A 47 8.616 8.235 -2.939 1.00 44.14 H new ATOM 0 HG3 LYS A 47 9.918 9.340 -2.549 1.00 44.14 H new ATOM 0 HD2 LYS A 47 9.933 8.495 -0.200 1.00 3.32 H new ATOM 0 HD3 LYS A 47 8.629 7.391 -0.589 1.00 3.32 H new ATOM 0 HE2 LYS A 47 10.097 6.190 -2.183 1.00 2.21 H new ATOM 0 HE3 LYS A 47 11.399 7.315 -1.853 1.00 2.21 H new ATOM 0 HZ1 LYS A 47 11.190 5.070 -0.547 1.00 54.14 H new ATOM 0 HZ2 LYS A 47 11.735 6.475 0.233 1.00 54.14 H new ATOM 0 HZ3 LYS A 47 10.128 5.965 0.429 1.00 54.14 H new ATOM 753 N ILE A 48 6.585 12.003 0.425 1.00 2.42 N ATOM 754 CA ILE A 48 5.634 13.113 0.649 1.00 12.13 C ATOM 755 C ILE A 48 6.322 14.274 1.406 1.00 44.44 C ATOM 756 O ILE A 48 6.035 15.451 1.152 1.00 31.32 O ATOM 757 CB ILE A 48 4.363 12.649 1.455 1.00 21.30 C ATOM 758 CG1 ILE A 48 3.736 11.355 0.848 1.00 51.02 C ATOM 759 CG2 ILE A 48 3.304 13.782 1.547 1.00 32.25 C ATOM 760 CD1 ILE A 48 3.262 11.464 -0.589 1.00 13.45 C ATOM 0 H ILE A 48 6.386 11.172 0.982 1.00 2.42 H new ATOM 0 HA ILE A 48 5.309 13.454 -0.334 1.00 12.13 H new ATOM 0 HB ILE A 48 4.695 12.415 2.466 1.00 21.30 H new ATOM 0 HG12 ILE A 48 4.473 10.554 0.908 1.00 51.02 H new ATOM 0 HG13 ILE A 48 2.890 11.058 1.468 1.00 51.02 H new ATOM 0 HG21 ILE A 48 2.440 13.428 2.110 1.00 32.25 H new ATOM 0 HG22 ILE A 48 3.737 14.645 2.053 1.00 32.25 H new ATOM 0 HG23 ILE A 48 2.990 14.069 0.543 1.00 32.25 H new ATOM 0 HD11 ILE A 48 2.845 10.509 -0.908 1.00 13.45 H new ATOM 0 HD12 ILE A 48 2.497 12.237 -0.662 1.00 13.45 H new ATOM 0 HD13 ILE A 48 4.103 11.725 -1.231 1.00 13.45 H new ATOM 772 N LYS A 49 7.245 13.913 2.319 1.00 1.41 N ATOM 773 CA LYS A 49 7.974 14.882 3.167 1.00 50.33 C ATOM 774 C LYS A 49 8.915 15.763 2.319 1.00 22.33 C ATOM 775 O LYS A 49 9.030 16.976 2.548 1.00 44.42 O ATOM 776 CB LYS A 49 8.758 14.123 4.270 1.00 23.21 C ATOM 777 CG LYS A 49 9.527 15.029 5.257 1.00 63.53 C ATOM 778 CD LYS A 49 10.239 14.230 6.373 1.00 75.14 C ATOM 779 CE LYS A 49 11.022 15.125 7.349 1.00 14.03 C ATOM 780 NZ LYS A 49 12.154 15.828 6.689 1.00 44.20 N ATOM 0 H LYS A 49 7.507 12.942 2.491 1.00 1.41 H new ATOM 0 HA LYS A 49 7.253 15.546 3.644 1.00 50.33 H new ATOM 0 HB2 LYS A 49 8.059 13.506 4.834 1.00 23.21 H new ATOM 0 HB3 LYS A 49 9.466 13.446 3.792 1.00 23.21 H new ATOM 0 HG2 LYS A 49 10.265 15.613 4.707 1.00 63.53 H new ATOM 0 HG3 LYS A 49 8.833 15.737 5.710 1.00 63.53 H new ATOM 0 HD2 LYS A 49 9.498 13.656 6.930 1.00 75.14 H new ATOM 0 HD3 LYS A 49 10.923 13.513 5.919 1.00 75.14 H new ATOM 0 HE2 LYS A 49 10.346 15.860 7.786 1.00 14.03 H new ATOM 0 HE3 LYS A 49 11.404 14.517 8.169 1.00 14.03 H new ATOM 0 HZ1 LYS A 49 12.701 16.351 7.402 1.00 44.20 H new ATOM 0 HZ2 LYS A 49 12.770 15.132 6.222 1.00 44.20 H new ATOM 0 HZ3 LYS A 49 11.784 16.493 5.981 1.00 44.20 H new ATOM 794 N LYS A 50 9.569 15.136 1.326 1.00 12.21 N ATOM 795 CA LYS A 50 10.469 15.843 0.393 1.00 3.24 C ATOM 796 C LYS A 50 9.681 16.452 -0.792 1.00 51.44 C ATOM 797 O LYS A 50 10.171 17.386 -1.435 1.00 34.32 O ATOM 798 CB LYS A 50 11.592 14.899 -0.136 1.00 3.12 C ATOM 799 CG LYS A 50 11.095 13.666 -0.935 1.00 61.13 C ATOM 800 CD LYS A 50 12.226 12.912 -1.683 1.00 73.21 C ATOM 801 CE LYS A 50 12.937 13.792 -2.727 1.00 21.42 C ATOM 802 NZ LYS A 50 13.906 13.021 -3.555 1.00 1.14 N ATOM 0 H LYS A 50 9.491 14.135 1.147 1.00 12.21 H new ATOM 0 HA LYS A 50 10.938 16.655 0.949 1.00 3.24 H new ATOM 0 HB2 LYS A 50 12.262 15.478 -0.772 1.00 3.12 H new ATOM 0 HB3 LYS A 50 12.180 14.549 0.712 1.00 3.12 H new ATOM 0 HG2 LYS A 50 10.601 12.976 -0.251 1.00 61.13 H new ATOM 0 HG3 LYS A 50 10.346 13.990 -1.658 1.00 61.13 H new ATOM 0 HD2 LYS A 50 12.957 12.551 -0.959 1.00 73.21 H new ATOM 0 HD3 LYS A 50 11.807 12.035 -2.177 1.00 73.21 H new ATOM 0 HE2 LYS A 50 12.193 14.252 -3.377 1.00 21.42 H new ATOM 0 HE3 LYS A 50 13.461 14.602 -2.219 1.00 21.42 H new ATOM 0 HZ1 LYS A 50 14.358 13.657 -4.242 1.00 1.14 H new ATOM 0 HZ2 LYS A 50 14.633 12.603 -2.940 1.00 1.14 H new ATOM 0 HZ3 LYS A 50 13.404 12.264 -4.062 1.00 1.14 H new ATOM 816 N GLN A 51 8.463 15.923 -1.056 1.00 71.24 N ATOM 817 CA GLN A 51 7.634 16.309 -2.222 1.00 53.03 C ATOM 818 C GLN A 51 6.209 15.727 -2.079 1.00 33.11 C ATOM 819 O GLN A 51 6.024 14.519 -2.222 1.00 21.42 O ATOM 820 CB GLN A 51 8.292 15.797 -3.546 1.00 43.31 C ATOM 821 CG GLN A 51 7.516 16.117 -4.845 1.00 0.42 C ATOM 822 CD GLN A 51 7.320 17.614 -5.088 1.00 41.33 C ATOM 823 OE1 GLN A 51 8.166 18.276 -5.690 1.00 11.52 O ATOM 824 NE2 GLN A 51 6.192 18.154 -4.646 1.00 34.21 N ATOM 0 H GLN A 51 8.027 15.215 -0.465 1.00 71.24 H new ATOM 0 HA GLN A 51 7.568 17.396 -2.259 1.00 53.03 H new ATOM 0 HB2 GLN A 51 9.290 16.228 -3.625 1.00 43.31 H new ATOM 0 HB3 GLN A 51 8.416 14.716 -3.475 1.00 43.31 H new ATOM 0 HG2 GLN A 51 8.050 15.687 -5.692 1.00 0.42 H new ATOM 0 HG3 GLN A 51 6.540 15.633 -4.804 1.00 0.42 H new ATOM 0 HE21 GLN A 51 5.511 17.579 -4.151 1.00 34.21 H new ATOM 0 HE22 GLN A 51 6.006 19.145 -4.802 1.00 34.21 H new ATOM 833 N GLY A 52 5.214 16.594 -1.797 1.00 1.23 N ATOM 834 CA GLY A 52 3.808 16.174 -1.669 1.00 14.03 C ATOM 835 C GLY A 52 3.275 15.484 -2.931 1.00 3.03 C ATOM 836 O GLY A 52 2.831 16.159 -3.860 1.00 2.41 O ATOM 0 H GLY A 52 5.362 17.593 -1.654 1.00 1.23 H new ATOM 0 HA2 GLY A 52 3.712 15.495 -0.822 1.00 14.03 H new ATOM 0 HA3 GLY A 52 3.192 17.046 -1.450 1.00 14.03 H new ATOM 840 N CYS A 53 3.364 14.137 -2.965 1.00 55.11 N ATOM 841 CA CYS A 53 2.898 13.304 -4.091 1.00 41.44 C ATOM 842 C CYS A 53 1.415 12.934 -3.880 1.00 73.01 C ATOM 843 O CYS A 53 1.033 12.506 -2.787 1.00 32.24 O ATOM 844 CB CYS A 53 3.774 12.027 -4.188 1.00 33.42 C ATOM 845 SG CYS A 53 5.550 12.355 -4.309 1.00 62.13 S ATOM 0 H CYS A 53 3.766 13.593 -2.202 1.00 55.11 H new ATOM 0 HA CYS A 53 2.988 13.860 -5.024 1.00 41.44 H new ATOM 0 HB2 CYS A 53 3.589 11.406 -3.312 1.00 33.42 H new ATOM 0 HB3 CYS A 53 3.462 11.451 -5.059 1.00 33.42 H new ATOM 0 HG CYS A 53 5.820 12.858 -5.477 1.00 62.13 H new ATOM 851 N LYS A 54 0.593 13.095 -4.935 1.00 63.12 N ATOM 852 CA LYS A 54 -0.883 12.940 -4.861 1.00 44.13 C ATOM 853 C LYS A 54 -1.352 11.550 -5.322 1.00 24.11 C ATOM 854 O LYS A 54 -2.550 11.253 -5.246 1.00 75.33 O ATOM 855 CB LYS A 54 -1.615 14.059 -5.676 1.00 73.20 C ATOM 856 CG LYS A 54 -1.537 15.491 -5.076 1.00 2.52 C ATOM 857 CD LYS A 54 -0.126 16.122 -5.144 1.00 11.51 C ATOM 858 CE LYS A 54 -0.085 17.577 -4.646 1.00 14.01 C ATOM 859 NZ LYS A 54 -0.939 18.471 -5.474 1.00 63.03 N ATOM 0 H LYS A 54 0.929 13.337 -5.867 1.00 63.12 H new ATOM 0 HA LYS A 54 -1.150 13.043 -3.809 1.00 44.13 H new ATOM 0 HB2 LYS A 54 -1.196 14.083 -6.682 1.00 73.20 H new ATOM 0 HB3 LYS A 54 -2.665 13.783 -5.775 1.00 73.20 H new ATOM 0 HG2 LYS A 54 -2.239 16.135 -5.606 1.00 2.52 H new ATOM 0 HG3 LYS A 54 -1.859 15.457 -4.035 1.00 2.52 H new ATOM 0 HD2 LYS A 54 0.562 15.522 -4.548 1.00 11.51 H new ATOM 0 HD3 LYS A 54 0.231 16.088 -6.173 1.00 11.51 H new ATOM 0 HE2 LYS A 54 -0.418 17.615 -3.609 1.00 14.01 H new ATOM 0 HE3 LYS A 54 0.943 17.938 -4.664 1.00 14.01 H new ATOM 0 HZ1 LYS A 54 -0.743 19.463 -5.229 1.00 63.03 H new ATOM 0 HZ2 LYS A 54 -0.730 18.315 -6.481 1.00 63.03 H new ATOM 0 HZ3 LYS A 54 -1.941 18.261 -5.292 1.00 63.03 H new ATOM 873 N ARG A 55 -0.418 10.702 -5.791 1.00 72.53 N ATOM 874 CA ARG A 55 -0.748 9.345 -6.263 1.00 64.41 C ATOM 875 C ARG A 55 0.313 8.351 -5.765 1.00 72.20 C ATOM 876 O ARG A 55 1.495 8.452 -6.099 1.00 75.54 O ATOM 877 CB ARG A 55 -0.849 9.337 -7.815 1.00 75.21 C ATOM 878 CG ARG A 55 -1.359 8.018 -8.459 1.00 50.41 C ATOM 879 CD ARG A 55 -1.481 8.141 -9.993 1.00 72.43 C ATOM 880 NE ARG A 55 -1.910 6.897 -10.666 1.00 65.01 N ATOM 881 CZ ARG A 55 -1.393 6.412 -11.817 1.00 72.14 C ATOM 882 NH1 ARG A 55 -0.383 7.022 -12.438 1.00 2.22 N ATOM 883 NH2 ARG A 55 -1.926 5.334 -12.362 1.00 53.52 N ATOM 0 H ARG A 55 0.573 10.934 -5.853 1.00 72.53 H new ATOM 0 HA ARG A 55 -1.714 9.040 -5.861 1.00 64.41 H new ATOM 0 HB2 ARG A 55 -1.512 10.147 -8.120 1.00 75.21 H new ATOM 0 HB3 ARG A 55 0.136 9.560 -8.224 1.00 75.21 H new ATOM 0 HG2 ARG A 55 -0.676 7.205 -8.212 1.00 50.41 H new ATOM 0 HG3 ARG A 55 -2.330 7.758 -8.036 1.00 50.41 H new ATOM 0 HD2 ARG A 55 -2.193 8.932 -10.228 1.00 72.43 H new ATOM 0 HD3 ARG A 55 -0.517 8.448 -10.400 1.00 72.43 H new ATOM 0 HE ARG A 55 -2.657 6.360 -10.226 1.00 65.01 H new ATOM 0 HH11 ARG A 55 0.017 7.874 -12.045 1.00 2.22 H new ATOM 0 HH12 ARG A 55 -0.010 6.636 -13.306 1.00 2.22 H new ATOM 0 HH21 ARG A 55 -2.720 4.876 -11.915 1.00 53.52 H new ATOM 0 HH22 ARG A 55 -1.544 4.959 -13.230 1.00 53.52 H new ATOM 897 N VAL A 56 -0.136 7.434 -4.910 1.00 42.15 N ATOM 898 CA VAL A 56 0.602 6.231 -4.511 1.00 0.52 C ATOM 899 C VAL A 56 -0.160 5.045 -5.115 1.00 62.03 C ATOM 900 O VAL A 56 -1.383 5.048 -5.111 1.00 11.44 O ATOM 901 CB VAL A 56 0.672 6.092 -2.936 1.00 44.33 C ATOM 902 CG1 VAL A 56 1.417 4.809 -2.499 1.00 35.32 C ATOM 903 CG2 VAL A 56 1.308 7.351 -2.296 1.00 34.10 C ATOM 0 H VAL A 56 -1.049 7.507 -4.461 1.00 42.15 H new ATOM 0 HA VAL A 56 1.632 6.275 -4.866 1.00 0.52 H new ATOM 0 HB VAL A 56 -0.353 6.006 -2.574 1.00 44.33 H new ATOM 0 HG11 VAL A 56 1.441 4.755 -1.411 1.00 35.32 H new ATOM 0 HG12 VAL A 56 0.899 3.935 -2.894 1.00 35.32 H new ATOM 0 HG13 VAL A 56 2.437 4.831 -2.884 1.00 35.32 H new ATOM 0 HG21 VAL A 56 1.344 7.230 -1.213 1.00 34.10 H new ATOM 0 HG22 VAL A 56 2.319 7.483 -2.680 1.00 34.10 H new ATOM 0 HG23 VAL A 56 0.709 8.227 -2.543 1.00 34.10 H new ATOM 913 N LYS A 57 0.546 4.071 -5.676 1.00 4.34 N ATOM 914 CA LYS A 57 -0.070 2.884 -6.296 1.00 63.10 C ATOM 915 C LYS A 57 0.317 1.633 -5.496 1.00 30.41 C ATOM 916 O LYS A 57 1.490 1.305 -5.404 1.00 64.44 O ATOM 917 CB LYS A 57 0.424 2.739 -7.764 1.00 24.41 C ATOM 918 CG LYS A 57 0.119 3.949 -8.678 1.00 12.21 C ATOM 919 CD LYS A 57 0.799 3.838 -10.068 1.00 65.00 C ATOM 920 CE LYS A 57 0.382 2.587 -10.861 1.00 54.23 C ATOM 921 NZ LYS A 57 -1.068 2.593 -11.198 1.00 52.10 N ATOM 0 H LYS A 57 1.565 4.074 -5.719 1.00 4.34 H new ATOM 0 HA LYS A 57 -1.154 2.997 -6.294 1.00 63.10 H new ATOM 0 HB2 LYS A 57 1.501 2.572 -7.754 1.00 24.41 H new ATOM 0 HB3 LYS A 57 -0.032 1.850 -8.199 1.00 24.41 H new ATOM 0 HG2 LYS A 57 -0.959 4.035 -8.812 1.00 12.21 H new ATOM 0 HG3 LYS A 57 0.453 4.863 -8.187 1.00 12.21 H new ATOM 0 HD2 LYS A 57 0.558 4.726 -10.653 1.00 65.00 H new ATOM 0 HD3 LYS A 57 1.881 3.829 -9.934 1.00 65.00 H new ATOM 0 HE2 LYS A 57 0.967 2.529 -11.779 1.00 54.23 H new ATOM 0 HE3 LYS A 57 0.614 1.695 -10.279 1.00 54.23 H new ATOM 0 HZ1 LYS A 57 -1.451 1.631 -11.102 1.00 52.10 H new ATOM 0 HZ2 LYS A 57 -1.572 3.232 -10.551 1.00 52.10 H new ATOM 0 HZ3 LYS A 57 -1.196 2.920 -12.177 1.00 52.10 H new ATOM 935 N ILE A 58 -0.667 0.939 -4.923 1.00 70.45 N ATOM 936 CA ILE A 58 -0.453 -0.374 -4.298 1.00 75.40 C ATOM 937 C ILE A 58 -0.912 -1.418 -5.324 1.00 20.12 C ATOM 938 O ILE A 58 -2.090 -1.481 -5.645 1.00 44.20 O ATOM 939 CB ILE A 58 -1.282 -0.518 -2.957 1.00 70.52 C ATOM 940 CG1 ILE A 58 -0.842 0.575 -1.928 1.00 41.53 C ATOM 941 CG2 ILE A 58 -1.180 -1.948 -2.356 1.00 0.21 C ATOM 942 CD1 ILE A 58 -1.677 0.634 -0.660 1.00 44.44 C ATOM 0 H ILE A 58 -1.632 1.266 -4.877 1.00 70.45 H new ATOM 0 HA ILE A 58 0.595 -0.506 -4.031 1.00 75.40 H new ATOM 0 HB ILE A 58 -2.334 -0.361 -3.195 1.00 70.52 H new ATOM 0 HG12 ILE A 58 0.198 0.397 -1.653 1.00 41.53 H new ATOM 0 HG13 ILE A 58 -0.880 1.549 -2.416 1.00 41.53 H new ATOM 0 HG21 ILE A 58 -1.764 -1.999 -1.437 1.00 0.21 H new ATOM 0 HG22 ILE A 58 -1.567 -2.672 -3.073 1.00 0.21 H new ATOM 0 HG23 ILE A 58 -0.137 -2.177 -2.136 1.00 0.21 H new ATOM 0 HD11 ILE A 58 -1.296 1.421 -0.010 1.00 44.44 H new ATOM 0 HD12 ILE A 58 -2.715 0.847 -0.917 1.00 44.44 H new ATOM 0 HD13 ILE A 58 -1.620 -0.323 -0.142 1.00 44.44 H new ATOM 954 N ARG A 59 0.030 -2.195 -5.862 1.00 0.11 N ATOM 955 CA ARG A 59 -0.244 -3.227 -6.883 1.00 54.32 C ATOM 956 C ARG A 59 0.100 -4.581 -6.288 1.00 73.13 C ATOM 957 O ARG A 59 1.115 -4.718 -5.601 1.00 71.05 O ATOM 958 CB ARG A 59 0.586 -2.989 -8.175 1.00 12.32 C ATOM 959 CG ARG A 59 0.278 -1.668 -8.908 1.00 5.43 C ATOM 960 CD ARG A 59 1.099 -1.506 -10.200 1.00 50.24 C ATOM 961 NE ARG A 59 0.841 -2.598 -11.163 1.00 23.40 N ATOM 962 CZ ARG A 59 1.176 -2.585 -12.465 1.00 33.45 C ATOM 963 NH1 ARG A 59 1.787 -1.534 -13.008 1.00 2.32 N ATOM 964 NH2 ARG A 59 0.862 -3.621 -13.229 1.00 35.04 N ATOM 0 H ARG A 59 1.015 -2.131 -5.604 1.00 0.11 H new ATOM 0 HA ARG A 59 -1.297 -3.183 -7.163 1.00 54.32 H new ATOM 0 HB2 ARG A 59 1.645 -3.007 -7.918 1.00 12.32 H new ATOM 0 HB3 ARG A 59 0.410 -3.818 -8.861 1.00 12.32 H new ATOM 0 HG2 ARG A 59 -0.784 -1.629 -9.149 1.00 5.43 H new ATOM 0 HG3 ARG A 59 0.485 -0.830 -8.242 1.00 5.43 H new ATOM 0 HD2 ARG A 59 0.859 -0.549 -10.664 1.00 50.24 H new ATOM 0 HD3 ARG A 59 2.161 -1.483 -9.954 1.00 50.24 H new ATOM 0 HE ARG A 59 0.369 -3.431 -10.810 1.00 23.40 H new ATOM 0 HH11 ARG A 59 2.009 -0.720 -12.434 1.00 2.32 H new ATOM 0 HH12 ARG A 59 2.033 -1.543 -13.998 1.00 2.32 H new ATOM 0 HH21 ARG A 59 0.370 -4.420 -12.828 1.00 35.04 H new ATOM 0 HH22 ARG A 59 1.112 -3.620 -14.218 1.00 35.04 H new ATOM 978 N PHE A 60 -0.749 -5.564 -6.554 1.00 31.42 N ATOM 979 CA PHE A 60 -0.607 -6.920 -6.030 1.00 11.42 C ATOM 980 C PHE A 60 -1.315 -7.882 -6.997 1.00 21.40 C ATOM 981 O PHE A 60 -2.389 -7.555 -7.507 1.00 5.33 O ATOM 982 CB PHE A 60 -1.211 -6.971 -4.596 1.00 1.23 C ATOM 983 CG PHE A 60 -1.136 -8.343 -3.926 1.00 0.05 C ATOM 984 CD1 PHE A 60 -0.006 -8.722 -3.212 1.00 51.04 C ATOM 985 CD2 PHE A 60 -2.181 -9.260 -4.032 1.00 40.33 C ATOM 986 CE1 PHE A 60 0.080 -9.963 -2.624 1.00 71.22 C ATOM 987 CE2 PHE A 60 -2.089 -10.506 -3.445 1.00 52.13 C ATOM 988 CZ PHE A 60 -0.960 -10.856 -2.742 1.00 61.33 C ATOM 0 H PHE A 60 -1.569 -5.442 -7.149 1.00 31.42 H new ATOM 0 HA PHE A 60 0.439 -7.218 -5.956 1.00 11.42 H new ATOM 0 HB2 PHE A 60 -0.691 -6.246 -3.970 1.00 1.23 H new ATOM 0 HB3 PHE A 60 -2.255 -6.660 -4.644 1.00 1.23 H new ATOM 0 HD1 PHE A 60 0.819 -8.031 -3.117 1.00 51.04 H new ATOM 0 HD2 PHE A 60 -3.073 -8.992 -4.580 1.00 40.33 H new ATOM 0 HE1 PHE A 60 0.965 -10.237 -2.069 1.00 71.22 H new ATOM 0 HE2 PHE A 60 -2.905 -11.207 -3.538 1.00 52.13 H new ATOM 0 HZ PHE A 60 -0.890 -11.831 -2.283 1.00 61.33 H new ATOM 998 N GLU A 61 -0.706 -9.054 -7.257 1.00 22.10 N ATOM 999 CA GLU A 61 -1.260 -10.049 -8.197 1.00 34.33 C ATOM 1000 C GLU A 61 -2.470 -10.764 -7.566 1.00 55.14 C ATOM 1001 O GLU A 61 -2.354 -11.349 -6.486 1.00 2.31 O ATOM 1002 CB GLU A 61 -0.193 -11.103 -8.599 1.00 24.31 C ATOM 1003 CG GLU A 61 -0.713 -12.139 -9.623 1.00 51.34 C ATOM 1004 CD GLU A 61 0.253 -13.304 -9.856 1.00 64.54 C ATOM 1005 OE1 GLU A 61 0.230 -14.268 -9.060 1.00 43.45 O ATOM 1006 OE2 GLU A 61 1.024 -13.271 -10.833 1.00 13.12 O ATOM 0 H GLU A 61 0.175 -9.337 -6.827 1.00 22.10 H new ATOM 0 HA GLU A 61 -1.575 -9.515 -9.093 1.00 34.33 H new ATOM 0 HB2 GLU A 61 0.673 -10.591 -9.018 1.00 24.31 H new ATOM 0 HB3 GLU A 61 0.147 -11.625 -7.705 1.00 24.31 H new ATOM 0 HG2 GLU A 61 -1.668 -12.533 -9.276 1.00 51.34 H new ATOM 0 HG3 GLU A 61 -0.901 -11.637 -10.572 1.00 51.34 H new ATOM 1013 N LYS A 62 -3.612 -10.743 -8.270 1.00 21.13 N ATOM 1014 CA LYS A 62 -4.861 -11.350 -7.791 1.00 35.35 C ATOM 1015 C LYS A 62 -5.439 -12.193 -8.939 1.00 22.31 C ATOM 1016 O LYS A 62 -5.932 -11.630 -9.901 1.00 3.42 O ATOM 1017 CB LYS A 62 -5.863 -10.229 -7.340 1.00 12.23 C ATOM 1018 CG LYS A 62 -6.877 -10.603 -6.217 1.00 23.21 C ATOM 1019 CD LYS A 62 -7.814 -11.792 -6.542 1.00 73.34 C ATOM 1020 CE LYS A 62 -8.705 -11.554 -7.771 1.00 23.33 C ATOM 1021 NZ LYS A 62 -9.544 -10.339 -7.634 1.00 35.41 N ATOM 0 H LYS A 62 -3.695 -10.304 -9.187 1.00 21.13 H new ATOM 0 HA LYS A 62 -4.680 -11.988 -6.926 1.00 35.35 H new ATOM 0 HB2 LYS A 62 -5.283 -9.371 -7.002 1.00 12.23 H new ATOM 0 HB3 LYS A 62 -6.428 -9.907 -8.214 1.00 12.23 H new ATOM 0 HG2 LYS A 62 -6.320 -10.838 -5.310 1.00 23.21 H new ATOM 0 HG3 LYS A 62 -7.489 -9.729 -5.997 1.00 23.21 H new ATOM 0 HD2 LYS A 62 -7.211 -12.684 -6.708 1.00 73.34 H new ATOM 0 HD3 LYS A 62 -8.447 -11.992 -5.678 1.00 73.34 H new ATOM 0 HE2 LYS A 62 -8.079 -11.462 -8.658 1.00 23.33 H new ATOM 0 HE3 LYS A 62 -9.348 -12.421 -7.924 1.00 23.33 H new ATOM 0 HZ1 LYS A 62 -10.527 -10.565 -7.889 1.00 35.41 H new ATOM 0 HZ2 LYS A 62 -9.510 -10.003 -6.650 1.00 35.41 H new ATOM 0 HZ3 LYS A 62 -9.185 -9.596 -8.266 1.00 35.41 H new ATOM 1035 N LYS A 63 -5.358 -13.531 -8.820 1.00 60.33 N ATOM 1036 CA LYS A 63 -5.951 -14.475 -9.790 1.00 33.44 C ATOM 1037 C LYS A 63 -6.019 -15.877 -9.161 1.00 65.32 C ATOM 1038 O LYS A 63 -7.090 -16.344 -8.751 1.00 60.34 O ATOM 1039 CB LYS A 63 -5.149 -14.509 -11.130 1.00 31.43 C ATOM 1040 CG LYS A 63 -5.699 -15.512 -12.180 1.00 33.42 C ATOM 1041 CD LYS A 63 -4.837 -15.590 -13.463 1.00 22.12 C ATOM 1042 CE LYS A 63 -4.777 -14.255 -14.223 1.00 3.45 C ATOM 1043 NZ LYS A 63 -6.126 -13.799 -14.648 1.00 50.32 N ATOM 0 H LYS A 63 -4.878 -13.991 -8.046 1.00 60.33 H new ATOM 0 HA LYS A 63 -6.958 -14.134 -10.030 1.00 33.44 H new ATOM 0 HB2 LYS A 63 -5.149 -13.510 -11.565 1.00 31.43 H new ATOM 0 HB3 LYS A 63 -4.111 -14.762 -10.912 1.00 31.43 H new ATOM 0 HG2 LYS A 63 -5.758 -16.503 -11.730 1.00 33.42 H new ATOM 0 HG3 LYS A 63 -6.715 -15.224 -12.450 1.00 33.42 H new ATOM 0 HD2 LYS A 63 -3.826 -15.897 -13.197 1.00 22.12 H new ATOM 0 HD3 LYS A 63 -5.242 -16.359 -14.121 1.00 22.12 H new ATOM 0 HE2 LYS A 63 -4.320 -13.496 -13.588 1.00 3.45 H new ATOM 0 HE3 LYS A 63 -4.138 -14.364 -15.099 1.00 3.45 H new ATOM 0 HZ1 LYS A 63 -6.030 -13.026 -15.337 1.00 50.32 H new ATOM 0 HZ2 LYS A 63 -6.638 -14.591 -15.086 1.00 50.32 H new ATOM 0 HZ3 LYS A 63 -6.655 -13.461 -13.819 1.00 50.32 H new ATOM 1057 N GLY A 64 -4.846 -16.529 -9.062 1.00 64.44 N ATOM 1058 CA GLY A 64 -4.737 -17.878 -8.522 1.00 1.30 C ATOM 1059 C GLY A 64 -4.405 -17.899 -7.040 1.00 5.10 C ATOM 1060 O GLY A 64 -3.727 -18.825 -6.568 1.00 20.30 O ATOM 0 H GLY A 64 -3.955 -16.129 -9.356 1.00 64.44 H new ATOM 0 HA2 GLY A 64 -5.676 -18.406 -8.686 1.00 1.30 H new ATOM 0 HA3 GLY A 64 -3.966 -18.421 -9.069 1.00 1.30 H new ATOM 1064 N LEU A 65 -4.888 -16.875 -6.302 1.00 11.11 N ATOM 1065 CA LEU A 65 -4.753 -16.803 -4.841 1.00 22.42 C ATOM 1066 C LEU A 65 -5.701 -17.812 -4.180 1.00 43.10 C ATOM 1067 O LEU A 65 -6.714 -18.214 -4.774 1.00 40.04 O ATOM 1068 CB LEU A 65 -5.096 -15.375 -4.310 1.00 65.03 C ATOM 1069 CG LEU A 65 -4.295 -14.179 -4.913 1.00 4.33 C ATOM 1070 CD1 LEU A 65 -4.717 -12.848 -4.259 1.00 42.32 C ATOM 1071 CD2 LEU A 65 -2.776 -14.390 -4.797 1.00 62.24 C ATOM 0 H LEU A 65 -5.381 -16.079 -6.707 1.00 11.11 H new ATOM 0 HA LEU A 65 -3.717 -17.034 -4.592 1.00 22.42 H new ATOM 0 HB2 LEU A 65 -6.156 -15.195 -4.486 1.00 65.03 H new ATOM 0 HB3 LEU A 65 -4.947 -15.371 -3.230 1.00 65.03 H new ATOM 0 HG LEU A 65 -4.536 -14.131 -5.975 1.00 4.33 H new ATOM 0 HD11 LEU A 65 -4.144 -12.030 -4.696 1.00 42.32 H new ATOM 0 HD12 LEU A 65 -5.780 -12.679 -4.431 1.00 42.32 H new ATOM 0 HD13 LEU A 65 -4.525 -12.892 -3.187 1.00 42.32 H new ATOM 0 HD21 LEU A 65 -2.256 -13.535 -5.229 1.00 62.24 H new ATOM 0 HD22 LEU A 65 -2.502 -14.489 -3.747 1.00 62.24 H new ATOM 0 HD23 LEU A 65 -2.492 -15.296 -5.333 1.00 62.24 H new ATOM 1083 N ASP A 66 -5.352 -18.232 -2.966 1.00 23.54 N ATOM 1084 CA ASP A 66 -6.282 -18.933 -2.064 1.00 34.41 C ATOM 1085 C ASP A 66 -7.265 -17.885 -1.494 1.00 54.23 C ATOM 1086 O ASP A 66 -6.867 -16.733 -1.317 1.00 74.30 O ATOM 1087 CB ASP A 66 -5.471 -19.624 -0.941 1.00 25.32 C ATOM 1088 CG ASP A 66 -6.342 -20.331 0.107 1.00 51.10 C ATOM 1089 OD1 ASP A 66 -6.737 -21.498 -0.107 1.00 71.25 O ATOM 1090 OD2 ASP A 66 -6.625 -19.725 1.157 1.00 51.02 O ATOM 0 H ASP A 66 -4.420 -18.099 -2.574 1.00 23.54 H new ATOM 0 HA ASP A 66 -6.847 -19.703 -2.589 1.00 34.41 H new ATOM 0 HB2 ASP A 66 -4.795 -20.352 -1.389 1.00 25.32 H new ATOM 0 HB3 ASP A 66 -4.851 -18.879 -0.442 1.00 25.32 H new ATOM 1095 N ASP A 67 -8.530 -18.277 -1.213 1.00 63.43 N ATOM 1096 CA ASP A 67 -9.605 -17.326 -0.789 1.00 11.41 C ATOM 1097 C ASP A 67 -9.228 -16.560 0.497 1.00 71.32 C ATOM 1098 O ASP A 67 -9.561 -15.370 0.646 1.00 44.32 O ATOM 1099 CB ASP A 67 -10.967 -18.062 -0.603 1.00 12.13 C ATOM 1100 CG ASP A 67 -12.126 -17.093 -0.264 1.00 35.14 C ATOM 1101 OD1 ASP A 67 -12.599 -16.383 -1.182 1.00 23.02 O ATOM 1102 OD2 ASP A 67 -12.560 -17.023 0.912 1.00 11.12 O ATOM 0 H ASP A 67 -8.840 -19.247 -1.270 1.00 63.43 H new ATOM 0 HA ASP A 67 -9.712 -16.594 -1.590 1.00 11.41 H new ATOM 0 HB2 ASP A 67 -11.209 -18.607 -1.516 1.00 12.13 H new ATOM 0 HB3 ASP A 67 -10.871 -18.800 0.193 1.00 12.13 H new ATOM 1107 N ASP A 68 -8.526 -17.264 1.410 1.00 15.22 N ATOM 1108 CA ASP A 68 -8.001 -16.675 2.652 1.00 54.54 C ATOM 1109 C ASP A 68 -6.917 -15.640 2.310 1.00 14.40 C ATOM 1110 O ASP A 68 -7.070 -14.471 2.640 1.00 71.22 O ATOM 1111 CB ASP A 68 -7.442 -17.774 3.601 1.00 24.02 C ATOM 1112 CG ASP A 68 -6.948 -17.221 4.953 1.00 33.22 C ATOM 1113 OD1 ASP A 68 -7.790 -16.963 5.841 1.00 61.04 O ATOM 1114 OD2 ASP A 68 -5.718 -17.059 5.141 1.00 32.41 O ATOM 0 H ASP A 68 -8.310 -18.255 1.304 1.00 15.22 H new ATOM 0 HA ASP A 68 -8.815 -16.176 3.178 1.00 54.54 H new ATOM 0 HB2 ASP A 68 -8.219 -18.517 3.782 1.00 24.02 H new ATOM 0 HB3 ASP A 68 -6.619 -18.288 3.105 1.00 24.02 H new ATOM 1119 N ALA A 69 -5.880 -16.073 1.545 1.00 52.25 N ATOM 1120 CA ALA A 69 -4.730 -15.211 1.154 1.00 34.23 C ATOM 1121 C ALA A 69 -5.167 -13.961 0.355 1.00 13.44 C ATOM 1122 O ALA A 69 -4.534 -12.902 0.446 1.00 42.35 O ATOM 1123 CB ALA A 69 -3.719 -16.022 0.337 1.00 34.10 C ATOM 0 H ALA A 69 -5.817 -17.025 1.183 1.00 52.25 H new ATOM 0 HA ALA A 69 -4.268 -14.860 2.076 1.00 34.23 H new ATOM 0 HB1 ALA A 69 -2.882 -15.383 0.056 1.00 34.10 H new ATOM 0 HB2 ALA A 69 -3.353 -16.856 0.935 1.00 34.10 H new ATOM 0 HB3 ALA A 69 -4.201 -16.405 -0.562 1.00 34.10 H new ATOM 1129 N ARG A 70 -6.257 -14.119 -0.419 1.00 1.33 N ATOM 1130 CA ARG A 70 -6.888 -13.049 -1.216 1.00 51.32 C ATOM 1131 C ARG A 70 -7.457 -11.987 -0.281 1.00 54.11 C ATOM 1132 O ARG A 70 -7.189 -10.791 -0.446 1.00 12.54 O ATOM 1133 CB ARG A 70 -8.001 -13.680 -2.120 1.00 41.22 C ATOM 1134 CG ARG A 70 -8.843 -12.723 -3.025 1.00 4.23 C ATOM 1135 CD ARG A 70 -10.026 -12.030 -2.307 1.00 71.30 C ATOM 1136 NE ARG A 70 -10.863 -12.995 -1.561 1.00 74.15 N ATOM 1137 CZ ARG A 70 -11.809 -12.679 -0.659 1.00 11.34 C ATOM 1138 NH1 ARG A 70 -12.082 -11.413 -0.359 1.00 22.12 N ATOM 1139 NH2 ARG A 70 -12.469 -13.646 -0.034 1.00 72.04 N ATOM 0 H ARG A 70 -6.735 -15.015 -0.510 1.00 1.33 H new ATOM 0 HA ARG A 70 -6.154 -12.566 -1.861 1.00 51.32 H new ATOM 0 HB2 ARG A 70 -7.527 -14.419 -2.766 1.00 41.22 H new ATOM 0 HB3 ARG A 70 -8.691 -14.219 -1.472 1.00 41.22 H new ATOM 0 HG2 ARG A 70 -8.184 -11.957 -3.433 1.00 4.23 H new ATOM 0 HG3 ARG A 70 -9.231 -13.292 -3.870 1.00 4.23 H new ATOM 0 HD2 ARG A 70 -9.642 -11.276 -1.620 1.00 71.30 H new ATOM 0 HD3 ARG A 70 -10.640 -11.509 -3.041 1.00 71.30 H new ATOM 0 HE ARG A 70 -10.709 -13.986 -1.747 1.00 74.15 H new ATOM 0 HH11 ARG A 70 -11.570 -10.659 -0.816 1.00 22.12 H new ATOM 0 HH12 ARG A 70 -12.804 -11.196 0.328 1.00 22.12 H new ATOM 0 HH21 ARG A 70 -12.258 -14.623 -0.239 1.00 72.04 H new ATOM 0 HH22 ARG A 70 -13.188 -13.413 0.651 1.00 72.04 H new ATOM 1153 N LYS A 71 -8.253 -12.458 0.698 1.00 72.23 N ATOM 1154 CA LYS A 71 -8.918 -11.594 1.675 1.00 34.33 C ATOM 1155 C LYS A 71 -7.896 -10.908 2.583 1.00 74.15 C ATOM 1156 O LYS A 71 -8.093 -9.769 2.965 1.00 20.10 O ATOM 1157 CB LYS A 71 -9.945 -12.396 2.521 1.00 64.40 C ATOM 1158 CG LYS A 71 -10.693 -11.534 3.567 1.00 41.33 C ATOM 1159 CD LYS A 71 -11.896 -12.243 4.219 1.00 33.15 C ATOM 1160 CE LYS A 71 -12.633 -11.330 5.210 1.00 62.51 C ATOM 1161 NZ LYS A 71 -13.781 -12.014 5.860 1.00 23.34 N ATOM 0 H LYS A 71 -8.449 -13.450 0.828 1.00 72.23 H new ATOM 0 HA LYS A 71 -9.458 -10.824 1.124 1.00 34.33 H new ATOM 0 HB2 LYS A 71 -10.674 -12.856 1.853 1.00 64.40 H new ATOM 0 HB3 LYS A 71 -9.427 -13.206 3.034 1.00 64.40 H new ATOM 0 HG2 LYS A 71 -9.992 -11.239 4.347 1.00 41.33 H new ATOM 0 HG3 LYS A 71 -11.040 -10.619 3.087 1.00 41.33 H new ATOM 0 HD2 LYS A 71 -12.588 -12.570 3.443 1.00 33.15 H new ATOM 0 HD3 LYS A 71 -11.552 -13.138 4.737 1.00 33.15 H new ATOM 0 HE2 LYS A 71 -11.935 -10.990 5.975 1.00 62.51 H new ATOM 0 HE3 LYS A 71 -12.990 -10.443 4.687 1.00 62.51 H new ATOM 0 HZ1 LYS A 71 -14.247 -11.359 6.520 1.00 23.34 H new ATOM 0 HZ2 LYS A 71 -14.461 -12.316 5.134 1.00 23.34 H new ATOM 0 HZ3 LYS A 71 -13.439 -12.846 6.382 1.00 23.34 H new ATOM 1175 N LYS A 72 -6.795 -11.615 2.887 1.00 54.44 N ATOM 1176 CA LYS A 72 -5.737 -11.115 3.778 1.00 73.43 C ATOM 1177 C LYS A 72 -4.914 -10.005 3.095 1.00 53.31 C ATOM 1178 O LYS A 72 -4.509 -9.043 3.747 1.00 12.31 O ATOM 1179 CB LYS A 72 -4.816 -12.286 4.218 1.00 55.32 C ATOM 1180 CG LYS A 72 -5.509 -13.370 5.076 1.00 31.13 C ATOM 1181 CD LYS A 72 -6.126 -12.821 6.382 1.00 4.12 C ATOM 1182 CE LYS A 72 -6.800 -13.914 7.221 1.00 40.33 C ATOM 1183 NZ LYS A 72 -7.351 -13.368 8.490 1.00 11.20 N ATOM 0 H LYS A 72 -6.614 -12.550 2.521 1.00 54.44 H new ATOM 0 HA LYS A 72 -6.207 -10.684 4.662 1.00 73.43 H new ATOM 0 HB2 LYS A 72 -4.402 -12.758 3.327 1.00 55.32 H new ATOM 0 HB3 LYS A 72 -3.977 -11.878 4.782 1.00 55.32 H new ATOM 0 HG2 LYS A 72 -6.292 -13.844 4.485 1.00 31.13 H new ATOM 0 HG3 LYS A 72 -4.783 -14.145 5.324 1.00 31.13 H new ATOM 0 HD2 LYS A 72 -5.346 -12.342 6.975 1.00 4.12 H new ATOM 0 HD3 LYS A 72 -6.859 -12.052 6.138 1.00 4.12 H new ATOM 0 HE2 LYS A 72 -7.602 -14.374 6.644 1.00 40.33 H new ATOM 0 HE3 LYS A 72 -6.078 -14.699 7.445 1.00 40.33 H new ATOM 0 HZ1 LYS A 72 -7.799 -14.134 9.032 1.00 11.20 H new ATOM 0 HZ2 LYS A 72 -6.581 -12.951 9.052 1.00 11.20 H new ATOM 0 HZ3 LYS A 72 -8.058 -12.636 8.275 1.00 11.20 H new ATOM 1197 N ALA A 73 -4.686 -10.164 1.779 1.00 60.31 N ATOM 1198 CA ALA A 73 -3.943 -9.192 0.951 1.00 74.54 C ATOM 1199 C ALA A 73 -4.783 -7.935 0.689 1.00 33.25 C ATOM 1200 O ALA A 73 -4.251 -6.824 0.659 1.00 62.11 O ATOM 1201 CB ALA A 73 -3.543 -9.840 -0.374 1.00 23.31 C ATOM 0 H ALA A 73 -5.014 -10.975 1.255 1.00 60.31 H new ATOM 0 HA ALA A 73 -3.046 -8.893 1.494 1.00 74.54 H new ATOM 0 HB1 ALA A 73 -2.995 -9.119 -0.981 1.00 23.31 H new ATOM 0 HB2 ALA A 73 -2.910 -10.706 -0.179 1.00 23.31 H new ATOM 0 HB3 ALA A 73 -4.438 -10.158 -0.908 1.00 23.31 H new ATOM 1207 N LYS A 74 -6.100 -8.143 0.482 1.00 63.30 N ATOM 1208 CA LYS A 74 -7.073 -7.050 0.285 1.00 25.15 C ATOM 1209 C LYS A 74 -7.273 -6.258 1.590 1.00 71.40 C ATOM 1210 O LYS A 74 -7.234 -5.028 1.582 1.00 55.24 O ATOM 1211 CB LYS A 74 -8.440 -7.614 -0.203 1.00 53.41 C ATOM 1212 CG LYS A 74 -9.595 -6.579 -0.174 1.00 42.04 C ATOM 1213 CD LYS A 74 -10.945 -7.155 -0.640 1.00 63.33 C ATOM 1214 CE LYS A 74 -12.117 -6.200 -0.373 1.00 61.24 C ATOM 1215 NZ LYS A 74 -13.421 -6.812 -0.731 1.00 32.02 N ATOM 0 H LYS A 74 -6.518 -9.073 0.447 1.00 63.30 H new ATOM 0 HA LYS A 74 -6.675 -6.379 -0.477 1.00 25.15 H new ATOM 0 HB2 LYS A 74 -8.325 -7.987 -1.221 1.00 53.41 H new ATOM 0 HB3 LYS A 74 -8.713 -8.466 0.420 1.00 53.41 H new ATOM 0 HG2 LYS A 74 -9.703 -6.195 0.840 1.00 42.04 H new ATOM 0 HG3 LYS A 74 -9.331 -5.733 -0.809 1.00 42.04 H new ATOM 0 HD2 LYS A 74 -10.894 -7.373 -1.707 1.00 63.33 H new ATOM 0 HD3 LYS A 74 -11.128 -8.101 -0.130 1.00 63.33 H new ATOM 0 HE2 LYS A 74 -12.124 -5.920 0.680 1.00 61.24 H new ATOM 0 HE3 LYS A 74 -11.976 -5.283 -0.946 1.00 61.24 H new ATOM 0 HZ1 LYS A 74 -14.187 -6.136 -0.536 1.00 32.02 H new ATOM 0 HZ2 LYS A 74 -13.424 -7.057 -1.742 1.00 32.02 H new ATOM 0 HZ3 LYS A 74 -13.567 -7.673 -0.166 1.00 32.02 H new ATOM 1229 N LYS A 75 -7.478 -7.008 2.695 1.00 25.14 N ATOM 1230 CA LYS A 75 -7.693 -6.465 4.056 1.00 65.35 C ATOM 1231 C LYS A 75 -6.506 -5.571 4.429 1.00 41.21 C ATOM 1232 O LYS A 75 -6.677 -4.450 4.908 1.00 42.02 O ATOM 1233 CB LYS A 75 -7.833 -7.644 5.072 1.00 64.23 C ATOM 1234 CG LYS A 75 -8.301 -7.271 6.494 1.00 73.45 C ATOM 1235 CD LYS A 75 -9.764 -6.772 6.534 1.00 70.04 C ATOM 1236 CE LYS A 75 -10.279 -6.518 7.965 1.00 61.42 C ATOM 1237 NZ LYS A 75 -9.443 -5.539 8.708 1.00 33.22 N ATOM 0 H LYS A 75 -7.499 -8.027 2.666 1.00 25.14 H new ATOM 0 HA LYS A 75 -8.608 -5.873 4.084 1.00 65.35 H new ATOM 0 HB2 LYS A 75 -8.535 -8.369 4.660 1.00 64.23 H new ATOM 0 HB3 LYS A 75 -6.868 -8.144 5.150 1.00 64.23 H new ATOM 0 HG2 LYS A 75 -8.201 -8.140 7.144 1.00 73.45 H new ATOM 0 HG3 LYS A 75 -7.647 -6.497 6.895 1.00 73.45 H new ATOM 0 HD2 LYS A 75 -9.843 -5.850 5.957 1.00 70.04 H new ATOM 0 HD3 LYS A 75 -10.406 -7.508 6.049 1.00 70.04 H new ATOM 0 HE2 LYS A 75 -11.305 -6.153 7.918 1.00 61.42 H new ATOM 0 HE3 LYS A 75 -10.301 -7.461 8.512 1.00 61.42 H new ATOM 0 HZ1 LYS A 75 -9.822 -5.417 9.669 1.00 33.22 H new ATOM 0 HZ2 LYS A 75 -8.465 -5.889 8.763 1.00 33.22 H new ATOM 0 HZ3 LYS A 75 -9.456 -4.625 8.212 1.00 33.22 H new ATOM 1251 N TRP A 76 -5.308 -6.100 4.126 1.00 13.13 N ATOM 1252 CA TRP A 76 -4.036 -5.388 4.249 1.00 0.14 C ATOM 1253 C TRP A 76 -4.058 -4.103 3.405 1.00 63.32 C ATOM 1254 O TRP A 76 -3.829 -3.027 3.928 1.00 21.40 O ATOM 1255 CB TRP A 76 -2.881 -6.313 3.779 1.00 25.23 C ATOM 1256 CG TRP A 76 -1.491 -5.729 3.924 1.00 34.23 C ATOM 1257 CD1 TRP A 76 -0.675 -5.838 5.008 1.00 63.44 C ATOM 1258 CD2 TRP A 76 -0.756 -4.950 2.953 1.00 14.15 C ATOM 1259 NE1 TRP A 76 0.509 -5.201 4.766 1.00 62.41 N ATOM 1260 CE2 TRP A 76 0.483 -4.644 3.526 1.00 2.02 C ATOM 1261 CE3 TRP A 76 -1.023 -4.490 1.658 1.00 23.34 C ATOM 1262 CZ2 TRP A 76 1.456 -3.907 2.863 1.00 65.14 C ATOM 1263 CZ3 TRP A 76 -0.060 -3.749 0.997 1.00 1.31 C ATOM 1264 CH2 TRP A 76 1.169 -3.464 1.604 1.00 62.52 C ATOM 0 H TRP A 76 -5.201 -7.054 3.782 1.00 13.13 H new ATOM 0 HA TRP A 76 -3.880 -5.113 5.292 1.00 0.14 H new ATOM 0 HB2 TRP A 76 -2.928 -7.243 4.345 1.00 25.23 H new ATOM 0 HB3 TRP A 76 -3.044 -6.568 2.732 1.00 25.23 H new ATOM 0 HD1 TRP A 76 -0.926 -6.352 5.924 1.00 63.44 H new ATOM 0 HE1 TRP A 76 1.293 -5.151 5.416 1.00 62.41 H new ATOM 0 HE3 TRP A 76 -1.967 -4.710 1.182 1.00 23.34 H new ATOM 0 HZ2 TRP A 76 2.407 -3.692 3.328 1.00 65.14 H new ATOM 0 HZ3 TRP A 76 -0.259 -3.386 -0.000 1.00 1.31 H new ATOM 0 HH2 TRP A 76 1.904 -2.883 1.066 1.00 62.52 H new ATOM 1275 N ALA A 77 -4.379 -4.257 2.100 1.00 63.30 N ATOM 1276 CA ALA A 77 -4.281 -3.178 1.092 1.00 23.11 C ATOM 1277 C ALA A 77 -5.212 -1.994 1.390 1.00 64.13 C ATOM 1278 O ALA A 77 -4.895 -0.856 1.036 1.00 23.24 O ATOM 1279 CB ALA A 77 -4.545 -3.741 -0.309 1.00 51.44 C ATOM 0 H ALA A 77 -4.715 -5.140 1.715 1.00 63.30 H new ATOM 0 HA ALA A 77 -3.265 -2.787 1.139 1.00 23.11 H new ATOM 0 HB1 ALA A 77 -4.471 -2.939 -1.043 1.00 51.44 H new ATOM 0 HB2 ALA A 77 -3.808 -4.511 -0.537 1.00 51.44 H new ATOM 0 HB3 ALA A 77 -5.545 -4.174 -0.345 1.00 51.44 H new ATOM 1285 N LEU A 78 -6.363 -2.277 2.022 1.00 4.44 N ATOM 1286 CA LEU A 78 -7.336 -1.246 2.423 1.00 65.54 C ATOM 1287 C LEU A 78 -6.862 -0.519 3.705 1.00 41.41 C ATOM 1288 O LEU A 78 -6.885 0.719 3.772 1.00 72.30 O ATOM 1289 CB LEU A 78 -8.742 -1.878 2.633 1.00 3.12 C ATOM 1290 CG LEU A 78 -9.375 -2.621 1.404 1.00 22.50 C ATOM 1291 CD1 LEU A 78 -10.793 -3.142 1.730 1.00 73.43 C ATOM 1292 CD2 LEU A 78 -9.391 -1.738 0.141 1.00 14.21 C ATOM 0 H LEU A 78 -6.645 -3.225 2.269 1.00 4.44 H new ATOM 0 HA LEU A 78 -7.409 -0.509 1.623 1.00 65.54 H new ATOM 0 HB2 LEU A 78 -8.677 -2.585 3.460 1.00 3.12 H new ATOM 0 HB3 LEU A 78 -9.427 -1.088 2.942 1.00 3.12 H new ATOM 0 HG LEU A 78 -8.739 -3.481 1.192 1.00 22.50 H new ATOM 0 HD11 LEU A 78 -11.203 -3.651 0.858 1.00 73.43 H new ATOM 0 HD12 LEU A 78 -10.741 -3.839 2.566 1.00 73.43 H new ATOM 0 HD13 LEU A 78 -11.437 -2.303 1.996 1.00 73.43 H new ATOM 0 HD21 LEU A 78 -9.837 -2.292 -0.685 1.00 14.21 H new ATOM 0 HD22 LEU A 78 -9.976 -0.839 0.333 1.00 14.21 H new ATOM 0 HD23 LEU A 78 -8.370 -1.458 -0.120 1.00 14.21 H new ATOM 1304 N GLU A 79 -6.414 -1.311 4.709 1.00 73.12 N ATOM 1305 CA GLU A 79 -5.970 -0.794 6.028 1.00 4.22 C ATOM 1306 C GLU A 79 -4.672 0.025 5.914 1.00 55.15 C ATOM 1307 O GLU A 79 -4.530 1.050 6.586 1.00 41.11 O ATOM 1308 CB GLU A 79 -5.788 -1.951 7.049 1.00 4.40 C ATOM 1309 CG GLU A 79 -7.096 -2.662 7.446 1.00 3.24 C ATOM 1310 CD GLU A 79 -6.874 -3.748 8.508 1.00 64.40 C ATOM 1311 OE1 GLU A 79 -6.588 -4.907 8.142 1.00 3.40 O ATOM 1312 OE2 GLU A 79 -6.980 -3.447 9.720 1.00 0.41 O ATOM 0 H GLU A 79 -6.350 -2.326 4.628 1.00 73.12 H new ATOM 0 HA GLU A 79 -6.754 -0.129 6.390 1.00 4.22 H new ATOM 0 HB2 GLU A 79 -5.103 -2.686 6.628 1.00 4.40 H new ATOM 0 HB3 GLU A 79 -5.317 -1.555 7.948 1.00 4.40 H new ATOM 0 HG2 GLU A 79 -7.805 -1.926 7.826 1.00 3.24 H new ATOM 0 HG3 GLU A 79 -7.546 -3.111 6.560 1.00 3.24 H new ATOM 1319 N VAL A 80 -3.746 -0.433 5.044 1.00 71.51 N ATOM 1320 CA VAL A 80 -2.447 0.231 4.829 1.00 21.51 C ATOM 1321 C VAL A 80 -2.660 1.526 4.032 1.00 74.31 C ATOM 1322 O VAL A 80 -2.042 2.532 4.322 1.00 2.14 O ATOM 1323 CB VAL A 80 -1.396 -0.717 4.114 1.00 72.12 C ATOM 1324 CG1 VAL A 80 -1.748 -0.985 2.642 1.00 42.41 C ATOM 1325 CG2 VAL A 80 0.053 -0.186 4.233 1.00 61.23 C ATOM 0 H VAL A 80 -3.879 -1.269 4.475 1.00 71.51 H new ATOM 0 HA VAL A 80 -2.025 0.473 5.804 1.00 21.51 H new ATOM 0 HB VAL A 80 -1.451 -1.666 4.647 1.00 72.12 H new ATOM 0 HG11 VAL A 80 -0.996 -1.639 2.201 1.00 42.41 H new ATOM 0 HG12 VAL A 80 -2.725 -1.464 2.583 1.00 42.41 H new ATOM 0 HG13 VAL A 80 -1.773 -0.042 2.096 1.00 42.41 H new ATOM 0 HG21 VAL A 80 0.734 -0.871 3.727 1.00 61.23 H new ATOM 0 HG22 VAL A 80 0.119 0.799 3.770 1.00 61.23 H new ATOM 0 HG23 VAL A 80 0.328 -0.112 5.285 1.00 61.23 H new ATOM 1335 N ALA A 81 -3.604 1.497 3.077 1.00 52.14 N ATOM 1336 CA ALA A 81 -3.924 2.654 2.232 1.00 11.42 C ATOM 1337 C ALA A 81 -4.456 3.820 3.085 1.00 61.03 C ATOM 1338 O ALA A 81 -4.052 4.974 2.910 1.00 13.25 O ATOM 1339 CB ALA A 81 -4.939 2.239 1.172 1.00 23.41 C ATOM 0 H ALA A 81 -4.165 0.670 2.871 1.00 52.14 H new ATOM 0 HA ALA A 81 -3.018 3.000 1.735 1.00 11.42 H new ATOM 0 HB1 ALA A 81 -5.179 3.096 0.543 1.00 23.41 H new ATOM 0 HB2 ALA A 81 -4.518 1.444 0.557 1.00 23.41 H new ATOM 0 HB3 ALA A 81 -5.846 1.880 1.658 1.00 23.41 H new ATOM 1345 N ASN A 82 -5.345 3.476 4.031 1.00 5.23 N ATOM 1346 CA ASN A 82 -5.909 4.422 5.005 1.00 14.21 C ATOM 1347 C ASN A 82 -4.895 4.762 6.109 1.00 44.34 C ATOM 1348 O ASN A 82 -5.007 5.813 6.745 1.00 34.43 O ATOM 1349 CB ASN A 82 -7.236 3.880 5.594 1.00 14.44 C ATOM 1350 CG ASN A 82 -8.342 3.670 4.541 1.00 12.22 C ATOM 1351 OD1 ASN A 82 -8.331 4.446 3.453 1.00 3.04 O flip ATOM 1352 ND2 ASN A 82 -9.213 2.811 4.702 1.00 31.05 N flip ATOM 0 H ASN A 82 -5.695 2.524 4.141 1.00 5.23 H new ATOM 0 HA ASN A 82 -6.134 5.351 4.481 1.00 14.21 H new ATOM 0 HB2 ASN A 82 -7.040 2.932 6.096 1.00 14.44 H new ATOM 0 HB3 ASN A 82 -7.597 4.574 6.353 1.00 14.44 H new ATOM 0 HD21 ASN A 82 -9.206 2.228 5.539 1.00 31.05 H new ATOM 0 HD22 ASN A 82 -9.940 2.684 3.998 1.00 31.05 H new ATOM 1359 N LYS A 83 -3.925 3.851 6.353 1.00 10.31 N ATOM 1360 CA LYS A 83 -2.834 4.088 7.317 1.00 12.50 C ATOM 1361 C LYS A 83 -1.944 5.238 6.804 1.00 62.13 C ATOM 1362 O LYS A 83 -1.741 6.203 7.524 1.00 61.50 O ATOM 1363 CB LYS A 83 -1.994 2.800 7.564 1.00 54.13 C ATOM 1364 CG LYS A 83 -1.033 2.859 8.777 1.00 61.33 C ATOM 1365 CD LYS A 83 -1.787 3.102 10.109 1.00 32.20 C ATOM 1366 CE LYS A 83 -0.891 2.953 11.354 1.00 42.40 C ATOM 1367 NZ LYS A 83 0.266 3.883 11.350 1.00 12.43 N ATOM 0 H LYS A 83 -3.879 2.942 5.892 1.00 10.31 H new ATOM 0 HA LYS A 83 -3.271 4.368 8.276 1.00 12.50 H new ATOM 0 HB2 LYS A 83 -2.677 1.962 7.703 1.00 54.13 H new ATOM 0 HB3 LYS A 83 -1.410 2.590 6.668 1.00 54.13 H new ATOM 0 HG2 LYS A 83 -0.475 1.925 8.842 1.00 61.33 H new ATOM 0 HG3 LYS A 83 -0.305 3.655 8.623 1.00 61.33 H new ATOM 0 HD2 LYS A 83 -2.217 4.104 10.097 1.00 32.20 H new ATOM 0 HD3 LYS A 83 -2.617 2.400 10.182 1.00 32.20 H new ATOM 0 HE2 LYS A 83 -1.489 3.129 12.248 1.00 42.40 H new ATOM 0 HE3 LYS A 83 -0.526 1.928 11.412 1.00 42.40 H new ATOM 0 HZ1 LYS A 83 0.619 4.002 12.321 1.00 12.43 H new ATOM 0 HZ2 LYS A 83 1.022 3.493 10.752 1.00 12.43 H new ATOM 0 HZ3 LYS A 83 -0.032 4.806 10.974 1.00 12.43 H new ATOM 1381 N ILE A 84 -1.481 5.139 5.528 1.00 34.43 N ATOM 1382 CA ILE A 84 -0.682 6.198 4.862 1.00 14.20 C ATOM 1383 C ILE A 84 -1.497 7.519 4.798 1.00 60.32 C ATOM 1384 O ILE A 84 -0.970 8.604 5.088 1.00 10.32 O ATOM 1385 CB ILE A 84 -0.190 5.756 3.402 1.00 35.40 C ATOM 1386 CG1 ILE A 84 1.043 4.786 3.443 1.00 54.15 C ATOM 1387 CG2 ILE A 84 0.159 6.966 2.509 1.00 43.22 C ATOM 1388 CD1 ILE A 84 0.768 3.379 3.909 1.00 43.45 C ATOM 0 H ILE A 84 -1.652 4.325 4.937 1.00 34.43 H new ATOM 0 HA ILE A 84 0.215 6.363 5.459 1.00 14.20 H new ATOM 0 HB ILE A 84 -1.038 5.225 2.970 1.00 35.40 H new ATOM 0 HG12 ILE A 84 1.474 4.738 2.443 1.00 54.15 H new ATOM 0 HG13 ILE A 84 1.800 5.221 4.096 1.00 54.15 H new ATOM 0 HG21 ILE A 84 0.487 6.614 1.531 1.00 43.22 H new ATOM 0 HG22 ILE A 84 -0.722 7.597 2.391 1.00 43.22 H new ATOM 0 HG23 ILE A 84 0.959 7.543 2.974 1.00 43.22 H new ATOM 0 HD11 ILE A 84 1.694 2.804 3.895 1.00 43.45 H new ATOM 0 HD12 ILE A 84 0.371 3.403 4.924 1.00 43.45 H new ATOM 0 HD13 ILE A 84 0.040 2.912 3.246 1.00 43.45 H new ATOM 1400 N ALA A 85 -2.801 7.394 4.462 1.00 64.05 N ATOM 1401 CA ALA A 85 -3.748 8.532 4.420 1.00 22.32 C ATOM 1402 C ALA A 85 -3.870 9.222 5.799 1.00 44.45 C ATOM 1403 O ALA A 85 -4.092 10.432 5.883 1.00 71.24 O ATOM 1404 CB ALA A 85 -5.113 8.044 3.916 1.00 4.12 C ATOM 0 H ALA A 85 -3.227 6.501 4.212 1.00 64.05 H new ATOM 0 HA ALA A 85 -3.363 9.281 3.728 1.00 22.32 H new ATOM 0 HB1 ALA A 85 -5.810 8.881 3.885 1.00 4.12 H new ATOM 0 HB2 ALA A 85 -5.003 7.626 2.915 1.00 4.12 H new ATOM 0 HB3 ALA A 85 -5.497 7.277 4.589 1.00 4.12 H new ATOM 1410 N ASN A 86 -3.712 8.424 6.867 1.00 23.03 N ATOM 1411 CA ASN A 86 -3.698 8.918 8.257 1.00 33.04 C ATOM 1412 C ASN A 86 -2.349 9.603 8.583 1.00 65.51 C ATOM 1413 O ASN A 86 -2.342 10.700 9.153 1.00 72.35 O ATOM 1414 CB ASN A 86 -3.985 7.753 9.243 1.00 32.13 C ATOM 1415 CG ASN A 86 -4.020 8.191 10.715 1.00 33.31 C ATOM 1416 OD1 ASN A 86 -3.007 8.163 11.416 1.00 0.23 O ATOM 1417 ND2 ASN A 86 -5.184 8.610 11.195 1.00 14.11 N ATOM 0 H ASN A 86 -3.590 7.414 6.793 1.00 23.03 H new ATOM 0 HA ASN A 86 -4.485 9.664 8.369 1.00 33.04 H new ATOM 0 HB2 ASN A 86 -4.941 7.296 8.985 1.00 32.13 H new ATOM 0 HB3 ASN A 86 -3.221 6.986 9.119 1.00 32.13 H new ATOM 0 HD21 ASN A 86 -5.254 8.918 12.165 1.00 14.11 H new ATOM 0 HD22 ASN A 86 -6.008 8.624 10.594 1.00 14.11 H new ATOM 1424 N GLU A 87 -1.219 8.962 8.166 1.00 21.31 N ATOM 1425 CA GLU A 87 0.155 9.401 8.533 1.00 41.43 C ATOM 1426 C GLU A 87 0.428 10.837 8.058 1.00 41.05 C ATOM 1427 O GLU A 87 0.970 11.658 8.804 1.00 64.04 O ATOM 1428 CB GLU A 87 1.251 8.451 7.938 1.00 12.13 C ATOM 1429 CG GLU A 87 1.138 6.962 8.322 1.00 75.35 C ATOM 1430 CD GLU A 87 0.933 6.728 9.827 1.00 62.23 C ATOM 1431 OE1 GLU A 87 1.925 6.758 10.583 1.00 1.52 O ATOM 1432 OE2 GLU A 87 -0.223 6.516 10.268 1.00 11.35 O ATOM 0 H GLU A 87 -1.237 8.134 7.571 1.00 21.31 H new ATOM 0 HA GLU A 87 0.209 9.362 9.621 1.00 41.43 H new ATOM 0 HB2 GLU A 87 1.219 8.529 6.851 1.00 12.13 H new ATOM 0 HB3 GLU A 87 2.229 8.814 8.255 1.00 12.13 H new ATOM 0 HG2 GLU A 87 0.305 6.517 7.777 1.00 75.35 H new ATOM 0 HG3 GLU A 87 2.042 6.443 8.002 1.00 75.35 H new ATOM 1439 N LEU A 88 0.039 11.114 6.804 1.00 14.22 N ATOM 1440 CA LEU A 88 0.252 12.423 6.163 1.00 53.00 C ATOM 1441 C LEU A 88 -0.943 13.375 6.388 1.00 42.53 C ATOM 1442 O LEU A 88 -0.836 14.574 6.112 1.00 2.04 O ATOM 1443 CB LEU A 88 0.552 12.237 4.639 1.00 1.55 C ATOM 1444 CG LEU A 88 1.912 11.530 4.263 1.00 64.31 C ATOM 1445 CD1 LEU A 88 3.105 12.124 5.051 1.00 3.02 C ATOM 1446 CD2 LEU A 88 1.853 9.988 4.403 1.00 43.53 C ATOM 0 H LEU A 88 -0.433 10.437 6.204 1.00 14.22 H new ATOM 0 HA LEU A 88 1.118 12.889 6.632 1.00 53.00 H new ATOM 0 HB2 LEU A 88 -0.263 11.661 4.200 1.00 1.55 H new ATOM 0 HB3 LEU A 88 0.538 13.220 4.168 1.00 1.55 H new ATOM 0 HG LEU A 88 2.075 11.737 3.205 1.00 64.31 H new ATOM 0 HD11 LEU A 88 4.023 11.611 4.764 1.00 3.02 H new ATOM 0 HD12 LEU A 88 3.198 13.186 4.825 1.00 3.02 H new ATOM 0 HD13 LEU A 88 2.936 11.994 6.120 1.00 3.02 H new ATOM 0 HD21 LEU A 88 2.818 9.561 4.130 1.00 43.53 H new ATOM 0 HD22 LEU A 88 1.618 9.725 5.434 1.00 43.53 H new ATOM 0 HD23 LEU A 88 1.081 9.592 3.743 1.00 43.53 H new ATOM 1458 N GLY A 89 -2.064 12.836 6.914 1.00 44.12 N ATOM 1459 CA GLY A 89 -3.290 13.620 7.131 1.00 34.03 C ATOM 1460 C GLY A 89 -3.905 14.076 5.820 1.00 53.40 C ATOM 1461 O GLY A 89 -4.281 15.245 5.657 1.00 63.12 O ATOM 0 H GLY A 89 -2.141 11.859 7.195 1.00 44.12 H new ATOM 0 HA2 GLY A 89 -4.013 13.019 7.683 1.00 34.03 H new ATOM 0 HA3 GLY A 89 -3.062 14.489 7.748 1.00 34.03 H new ATOM 1465 N ALA A 90 -3.978 13.134 4.877 1.00 2.43 N ATOM 1466 CA ALA A 90 -4.482 13.365 3.520 1.00 41.44 C ATOM 1467 C ALA A 90 -5.783 12.576 3.286 1.00 5.31 C ATOM 1468 O ALA A 90 -6.378 12.043 4.234 1.00 3.44 O ATOM 1469 CB ALA A 90 -3.386 12.990 2.517 1.00 23.54 C ATOM 0 H ALA A 90 -3.683 12.171 5.038 1.00 2.43 H new ATOM 0 HA ALA A 90 -4.728 14.418 3.383 1.00 41.44 H new ATOM 0 HB1 ALA A 90 -3.748 13.157 1.503 1.00 23.54 H new ATOM 0 HB2 ALA A 90 -2.505 13.606 2.694 1.00 23.54 H new ATOM 0 HB3 ALA A 90 -3.124 11.939 2.640 1.00 23.54 H new ATOM 1475 N LYS A 91 -6.225 12.520 2.016 1.00 13.54 N ATOM 1476 CA LYS A 91 -7.514 11.917 1.628 1.00 40.11 C ATOM 1477 C LYS A 91 -7.421 10.390 1.511 1.00 4.34 C ATOM 1478 O LYS A 91 -6.329 9.808 1.547 1.00 5.21 O ATOM 1479 CB LYS A 91 -7.991 12.522 0.286 1.00 63.14 C ATOM 1480 CG LYS A 91 -8.134 14.054 0.307 1.00 44.01 C ATOM 1481 CD LYS A 91 -8.719 14.609 -1.003 1.00 3.34 C ATOM 1482 CE LYS A 91 -8.823 16.138 -1.010 1.00 21.24 C ATOM 1483 NZ LYS A 91 -9.394 16.645 -2.290 1.00 63.13 N ATOM 0 H LYS A 91 -5.696 12.893 1.227 1.00 13.54 H new ATOM 0 HA LYS A 91 -8.236 12.142 2.413 1.00 40.11 H new ATOM 0 HB2 LYS A 91 -7.286 12.244 -0.497 1.00 63.14 H new ATOM 0 HB3 LYS A 91 -8.952 12.081 0.021 1.00 63.14 H new ATOM 0 HG2 LYS A 91 -8.775 14.344 1.139 1.00 44.01 H new ATOM 0 HG3 LYS A 91 -7.157 14.504 0.485 1.00 44.01 H new ATOM 0 HD2 LYS A 91 -8.096 14.289 -1.838 1.00 3.34 H new ATOM 0 HD3 LYS A 91 -9.709 14.182 -1.162 1.00 3.34 H new ATOM 0 HE2 LYS A 91 -9.447 16.464 -0.178 1.00 21.24 H new ATOM 0 HE3 LYS A 91 -7.835 16.571 -0.855 1.00 21.24 H new ATOM 0 HZ1 LYS A 91 -9.131 17.643 -2.416 1.00 63.13 H new ATOM 0 HZ2 LYS A 91 -9.020 16.086 -3.083 1.00 63.13 H new ATOM 0 HZ3 LYS A 91 -10.430 16.560 -2.265 1.00 63.13 H new ATOM 1497 N GLN A 92 -8.602 9.770 1.340 1.00 34.34 N ATOM 1498 CA GLN A 92 -8.763 8.312 1.230 1.00 72.33 C ATOM 1499 C GLN A 92 -8.247 7.769 -0.115 1.00 51.32 C ATOM 1500 O GLN A 92 -7.842 8.518 -1.017 1.00 11.55 O ATOM 1501 CB GLN A 92 -10.257 7.931 1.437 1.00 2.55 C ATOM 1502 CG GLN A 92 -10.808 8.241 2.840 1.00 31.12 C ATOM 1503 CD GLN A 92 -10.105 7.454 3.955 1.00 32.31 C ATOM 1504 OE1 GLN A 92 -10.509 6.344 4.305 1.00 23.24 O ATOM 1505 NE2 GLN A 92 -9.053 8.013 4.521 1.00 32.52 N ATOM 0 H GLN A 92 -9.484 10.277 1.273 1.00 34.34 H new ATOM 0 HA GLN A 92 -8.158 7.851 2.011 1.00 72.33 H new ATOM 0 HB2 GLN A 92 -10.859 8.461 0.699 1.00 2.55 H new ATOM 0 HB3 GLN A 92 -10.377 6.866 1.241 1.00 2.55 H new ATOM 0 HG2 GLN A 92 -10.704 9.308 3.036 1.00 31.12 H new ATOM 0 HG3 GLN A 92 -11.874 8.016 2.862 1.00 31.12 H new ATOM 0 HE21 GLN A 92 -8.737 8.933 4.214 1.00 32.52 H new ATOM 0 HE22 GLN A 92 -8.555 7.525 5.266 1.00 32.52 H new ATOM 1514 N SER A 93 -8.292 6.444 -0.223 1.00 13.33 N ATOM 1515 CA SER A 93 -7.743 5.693 -1.348 1.00 64.42 C ATOM 1516 C SER A 93 -8.861 5.072 -2.199 1.00 34.01 C ATOM 1517 O SER A 93 -9.894 4.646 -1.667 1.00 52.43 O ATOM 1518 CB SER A 93 -6.826 4.600 -0.773 1.00 32.40 C ATOM 1519 OG SER A 93 -7.462 3.911 0.296 1.00 54.34 O ATOM 0 H SER A 93 -8.721 5.849 0.486 1.00 13.33 H new ATOM 0 HA SER A 93 -7.180 6.359 -2.003 1.00 64.42 H new ATOM 0 HB2 SER A 93 -6.560 3.893 -1.559 1.00 32.40 H new ATOM 0 HB3 SER A 93 -5.897 5.048 -0.420 1.00 32.40 H new ATOM 0 HG SER A 93 -7.396 2.945 0.147 1.00 54.34 H new ATOM 1525 N THR A 94 -8.631 5.018 -3.517 1.00 71.55 N ATOM 1526 CA THR A 94 -9.521 4.341 -4.462 1.00 71.13 C ATOM 1527 C THR A 94 -9.008 2.898 -4.670 1.00 15.21 C ATOM 1528 O THR A 94 -7.820 2.684 -4.914 1.00 53.45 O ATOM 1529 CB THR A 94 -9.603 5.132 -5.825 1.00 34.41 C ATOM 1530 OG1 THR A 94 -10.463 4.454 -6.751 1.00 21.02 O ATOM 1531 CG2 THR A 94 -8.227 5.378 -6.487 1.00 44.34 C ATOM 0 H THR A 94 -7.817 5.446 -3.958 1.00 71.55 H new ATOM 0 HA THR A 94 -10.533 4.307 -4.060 1.00 71.13 H new ATOM 0 HB THR A 94 -10.013 6.110 -5.573 1.00 34.41 H new ATOM 0 HG1 THR A 94 -10.504 4.959 -7.590 1.00 21.02 H new ATOM 0 HG21 THR A 94 -8.364 5.927 -7.419 1.00 44.34 H new ATOM 0 HG22 THR A 94 -7.598 5.959 -5.813 1.00 44.34 H new ATOM 0 HG23 THR A 94 -7.748 4.422 -6.696 1.00 44.34 H new ATOM 1539 N THR A 95 -9.898 1.905 -4.501 1.00 64.31 N ATOM 1540 CA THR A 95 -9.548 0.479 -4.652 1.00 54.43 C ATOM 1541 C THR A 95 -10.170 -0.090 -5.939 1.00 20.44 C ATOM 1542 O THR A 95 -11.265 0.314 -6.351 1.00 41.03 O ATOM 1543 CB THR A 95 -9.980 -0.368 -3.396 1.00 62.02 C ATOM 1544 OG1 THR A 95 -9.700 -1.769 -3.606 1.00 65.21 O ATOM 1545 CG2 THR A 95 -11.462 -0.190 -3.026 1.00 51.11 C ATOM 0 H THR A 95 -10.875 2.065 -4.257 1.00 64.31 H new ATOM 0 HA THR A 95 -8.463 0.410 -4.727 1.00 54.43 H new ATOM 0 HB THR A 95 -9.390 0.009 -2.560 1.00 62.02 H new ATOM 0 HG1 THR A 95 -10.114 -2.296 -2.891 1.00 65.21 H new ATOM 0 HG21 THR A 95 -11.695 -0.800 -2.153 1.00 51.11 H new ATOM 0 HG22 THR A 95 -11.657 0.858 -2.799 1.00 51.11 H new ATOM 0 HG23 THR A 95 -12.086 -0.502 -3.863 1.00 51.11 H new ATOM 1553 N THR A 96 -9.438 -1.012 -6.575 1.00 61.10 N ATOM 1554 CA THR A 96 -9.841 -1.667 -7.821 1.00 71.44 C ATOM 1555 C THR A 96 -9.645 -3.183 -7.668 1.00 21.14 C ATOM 1556 O THR A 96 -8.507 -3.659 -7.519 1.00 72.14 O ATOM 1557 CB THR A 96 -9.001 -1.131 -9.033 1.00 5.05 C ATOM 1558 OG1 THR A 96 -9.212 0.285 -9.162 1.00 62.24 O ATOM 1559 CG2 THR A 96 -9.353 -1.823 -10.369 1.00 24.53 C ATOM 0 H THR A 96 -8.532 -1.329 -6.230 1.00 61.10 H new ATOM 0 HA THR A 96 -10.890 -1.446 -8.020 1.00 71.44 H new ATOM 0 HB THR A 96 -7.955 -1.356 -8.824 1.00 5.05 H new ATOM 0 HG1 THR A 96 -8.688 0.626 -9.917 1.00 62.24 H new ATOM 0 HG21 THR A 96 -8.738 -1.408 -11.167 1.00 24.53 H new ATOM 0 HG22 THR A 96 -9.164 -2.893 -10.285 1.00 24.53 H new ATOM 0 HG23 THR A 96 -10.406 -1.657 -10.599 1.00 24.53 H new ATOM 1567 N THR A 97 -10.761 -3.926 -7.693 1.00 32.53 N ATOM 1568 CA THR A 97 -10.748 -5.388 -7.612 1.00 13.40 C ATOM 1569 C THR A 97 -10.742 -5.956 -9.043 1.00 2.31 C ATOM 1570 O THR A 97 -11.667 -5.723 -9.834 1.00 64.32 O ATOM 1571 CB THR A 97 -11.943 -5.948 -6.761 1.00 55.31 C ATOM 1572 OG1 THR A 97 -11.944 -7.384 -6.801 1.00 42.10 O ATOM 1573 CG2 THR A 97 -13.316 -5.404 -7.200 1.00 40.42 C ATOM 0 H THR A 97 -11.697 -3.527 -7.770 1.00 32.53 H new ATOM 0 HA THR A 97 -9.846 -5.709 -7.091 1.00 13.40 H new ATOM 0 HB THR A 97 -11.787 -5.602 -5.739 1.00 55.31 H new ATOM 0 HG1 THR A 97 -12.691 -7.726 -6.267 1.00 42.10 H new ATOM 0 HG21 THR A 97 -14.095 -5.832 -6.570 1.00 40.42 H new ATOM 0 HG22 THR A 97 -13.326 -4.318 -7.102 1.00 40.42 H new ATOM 0 HG23 THR A 97 -13.500 -5.676 -8.239 1.00 40.42 H new ATOM 1581 N ASP A 98 -9.663 -6.669 -9.378 1.00 55.13 N ATOM 1582 CA ASP A 98 -9.385 -7.118 -10.749 1.00 32.44 C ATOM 1583 C ASP A 98 -8.831 -8.548 -10.722 1.00 23.43 C ATOM 1584 O ASP A 98 -8.134 -8.927 -9.768 1.00 52.20 O ATOM 1585 CB ASP A 98 -8.387 -6.130 -11.403 1.00 45.01 C ATOM 1586 CG ASP A 98 -8.086 -6.430 -12.881 1.00 42.11 C ATOM 1587 OD1 ASP A 98 -8.864 -5.995 -13.756 1.00 10.04 O ATOM 1588 OD2 ASP A 98 -7.077 -7.095 -13.176 1.00 14.12 O ATOM 0 H ASP A 98 -8.953 -6.954 -8.703 1.00 55.13 H new ATOM 0 HA ASP A 98 -10.300 -7.130 -11.341 1.00 32.44 H new ATOM 0 HB2 ASP A 98 -8.787 -5.119 -11.322 1.00 45.01 H new ATOM 0 HB3 ASP A 98 -7.453 -6.149 -10.842 1.00 45.01 H new ATOM 1593 N GLY A 99 -9.150 -9.321 -11.777 1.00 40.55 N ATOM 1594 CA GLY A 99 -8.791 -10.739 -11.877 1.00 60.12 C ATOM 1595 C GLY A 99 -7.377 -11.003 -12.378 1.00 44.55 C ATOM 1596 O GLY A 99 -7.039 -12.151 -12.665 1.00 42.23 O ATOM 0 H GLY A 99 -9.666 -8.973 -12.585 1.00 40.55 H new ATOM 0 HA2 GLY A 99 -8.906 -11.199 -10.896 1.00 60.12 H new ATOM 0 HA3 GLY A 99 -9.497 -11.232 -12.545 1.00 60.12 H new ATOM 1600 N ASP A 100 -6.544 -9.950 -12.477 1.00 63.35 N ATOM 1601 CA ASP A 100 -5.108 -10.074 -12.826 1.00 33.53 C ATOM 1602 C ASP A 100 -4.255 -9.319 -11.785 1.00 51.44 C ATOM 1603 O ASP A 100 -3.291 -9.868 -11.235 1.00 63.45 O ATOM 1604 CB ASP A 100 -4.832 -9.512 -14.254 1.00 35.21 C ATOM 1605 CG ASP A 100 -5.618 -10.234 -15.367 1.00 13.43 C ATOM 1606 OD1 ASP A 100 -5.134 -11.260 -15.897 1.00 13.21 O ATOM 1607 OD2 ASP A 100 -6.732 -9.782 -15.719 1.00 10.53 O ATOM 0 H ASP A 100 -6.843 -8.988 -12.318 1.00 63.35 H new ATOM 0 HA ASP A 100 -4.838 -11.130 -12.819 1.00 33.53 H new ATOM 0 HB2 ASP A 100 -5.084 -8.452 -14.273 1.00 35.21 H new ATOM 0 HB3 ASP A 100 -3.766 -9.590 -14.466 1.00 35.21 H new ATOM 1612 N THR A 101 -4.625 -8.046 -11.514 1.00 32.45 N ATOM 1613 CA THR A 101 -3.878 -7.158 -10.596 1.00 11.23 C ATOM 1614 C THR A 101 -4.850 -6.359 -9.700 1.00 23.24 C ATOM 1615 O THR A 101 -5.551 -5.459 -10.172 1.00 74.31 O ATOM 1616 CB THR A 101 -2.953 -6.163 -11.395 1.00 72.21 C ATOM 1617 OG1 THR A 101 -2.085 -6.906 -12.270 1.00 30.24 O ATOM 1618 CG2 THR A 101 -2.100 -5.261 -10.466 1.00 14.14 C ATOM 0 H THR A 101 -5.449 -7.607 -11.925 1.00 32.45 H new ATOM 0 HA THR A 101 -3.249 -7.788 -9.967 1.00 11.23 H new ATOM 0 HB THR A 101 -3.608 -5.509 -11.971 1.00 72.21 H new ATOM 0 HG1 THR A 101 -1.512 -6.285 -12.767 1.00 30.24 H new ATOM 0 HG21 THR A 101 -1.483 -4.596 -11.071 1.00 14.14 H new ATOM 0 HG22 THR A 101 -2.758 -4.668 -9.831 1.00 14.14 H new ATOM 0 HG23 THR A 101 -1.459 -5.884 -9.842 1.00 14.14 H new ATOM 1626 N PHE A 102 -4.884 -6.706 -8.403 1.00 30.32 N ATOM 1627 CA PHE A 102 -5.613 -5.934 -7.383 1.00 1.42 C ATOM 1628 C PHE A 102 -4.796 -4.667 -7.064 1.00 33.22 C ATOM 1629 O PHE A 102 -3.686 -4.762 -6.525 1.00 4.44 O ATOM 1630 CB PHE A 102 -5.813 -6.799 -6.108 1.00 14.31 C ATOM 1631 CG PHE A 102 -6.673 -6.148 -5.029 1.00 33.32 C ATOM 1632 CD1 PHE A 102 -8.055 -6.058 -5.186 1.00 2.24 C ATOM 1633 CD2 PHE A 102 -6.107 -5.612 -3.870 1.00 54.11 C ATOM 1634 CE1 PHE A 102 -8.842 -5.456 -4.224 1.00 34.23 C ATOM 1635 CE2 PHE A 102 -6.896 -5.008 -2.913 1.00 63.34 C ATOM 1636 CZ PHE A 102 -8.261 -4.929 -3.090 1.00 34.23 C ATOM 0 H PHE A 102 -4.408 -7.528 -8.032 1.00 30.32 H new ATOM 0 HA PHE A 102 -6.599 -5.649 -7.751 1.00 1.42 H new ATOM 0 HB2 PHE A 102 -6.269 -7.747 -6.395 1.00 14.31 H new ATOM 0 HB3 PHE A 102 -4.836 -7.031 -5.685 1.00 14.31 H new ATOM 0 HD1 PHE A 102 -8.517 -6.465 -6.073 1.00 2.24 H new ATOM 0 HD2 PHE A 102 -5.039 -5.671 -3.721 1.00 54.11 H new ATOM 0 HE1 PHE A 102 -9.912 -5.398 -4.360 1.00 34.23 H new ATOM 0 HE2 PHE A 102 -6.443 -4.596 -2.023 1.00 63.34 H new ATOM 0 HZ PHE A 102 -8.876 -4.454 -2.340 1.00 34.23 H new ATOM 1646 N GLU A 103 -5.335 -3.491 -7.428 1.00 53.31 N ATOM 1647 CA GLU A 103 -4.625 -2.207 -7.281 1.00 64.14 C ATOM 1648 C GLU A 103 -5.450 -1.224 -6.433 1.00 44.42 C ATOM 1649 O GLU A 103 -6.595 -0.922 -6.768 1.00 14.00 O ATOM 1650 CB GLU A 103 -4.310 -1.592 -8.669 1.00 31.32 C ATOM 1651 CG GLU A 103 -3.501 -0.274 -8.609 1.00 44.14 C ATOM 1652 CD GLU A 103 -3.241 0.337 -9.994 1.00 22.22 C ATOM 1653 OE1 GLU A 103 -4.112 1.077 -10.497 1.00 3.13 O ATOM 1654 OE2 GLU A 103 -2.172 0.076 -10.588 1.00 23.12 O ATOM 0 H GLU A 103 -6.268 -3.403 -7.830 1.00 53.31 H new ATOM 0 HA GLU A 103 -3.682 -2.398 -6.768 1.00 64.14 H new ATOM 0 HB2 GLU A 103 -3.754 -2.320 -9.259 1.00 31.32 H new ATOM 0 HB3 GLU A 103 -5.248 -1.406 -9.193 1.00 31.32 H new ATOM 0 HG2 GLU A 103 -4.039 0.448 -7.995 1.00 44.14 H new ATOM 0 HG3 GLU A 103 -2.547 -0.462 -8.117 1.00 44.14 H new ATOM 1661 N VAL A 104 -4.857 -0.751 -5.325 1.00 4.04 N ATOM 1662 CA VAL A 104 -5.422 0.310 -4.474 1.00 31.31 C ATOM 1663 C VAL A 104 -4.520 1.550 -4.583 1.00 0.21 C ATOM 1664 O VAL A 104 -3.402 1.547 -4.072 1.00 12.00 O ATOM 1665 CB VAL A 104 -5.498 -0.145 -2.962 1.00 31.45 C ATOM 1666 CG1 VAL A 104 -6.143 0.949 -2.078 1.00 21.20 C ATOM 1667 CG2 VAL A 104 -6.251 -1.485 -2.825 1.00 52.23 C ATOM 0 H VAL A 104 -3.959 -1.100 -4.990 1.00 4.04 H new ATOM 0 HA VAL A 104 -6.434 0.531 -4.812 1.00 31.31 H new ATOM 0 HB VAL A 104 -4.478 -0.296 -2.609 1.00 31.45 H new ATOM 0 HG11 VAL A 104 -6.181 0.606 -1.044 1.00 21.20 H new ATOM 0 HG12 VAL A 104 -5.549 1.861 -2.136 1.00 21.20 H new ATOM 0 HG13 VAL A 104 -7.154 1.152 -2.430 1.00 21.20 H new ATOM 0 HG21 VAL A 104 -6.289 -1.775 -1.775 1.00 52.23 H new ATOM 0 HG22 VAL A 104 -7.266 -1.373 -3.207 1.00 52.23 H new ATOM 0 HG23 VAL A 104 -5.731 -2.255 -3.396 1.00 52.23 H new ATOM 1677 N GLU A 105 -5.000 2.606 -5.247 1.00 74.34 N ATOM 1678 CA GLU A 105 -4.237 3.853 -5.397 1.00 70.34 C ATOM 1679 C GLU A 105 -4.654 4.835 -4.298 1.00 42.41 C ATOM 1680 O GLU A 105 -5.836 5.166 -4.161 1.00 21.02 O ATOM 1681 CB GLU A 105 -4.446 4.477 -6.798 1.00 51.15 C ATOM 1682 CG GLU A 105 -4.041 3.547 -7.957 1.00 63.33 C ATOM 1683 CD GLU A 105 -4.058 4.228 -9.329 1.00 31.40 C ATOM 1684 OE1 GLU A 105 -5.115 4.760 -9.723 1.00 64.51 O ATOM 1685 OE2 GLU A 105 -3.021 4.226 -10.020 1.00 65.41 O ATOM 0 H GLU A 105 -5.918 2.623 -5.692 1.00 74.34 H new ATOM 0 HA GLU A 105 -3.175 3.629 -5.299 1.00 70.34 H new ATOM 0 HB2 GLU A 105 -5.495 4.749 -6.912 1.00 51.15 H new ATOM 0 HB3 GLU A 105 -3.869 5.399 -6.865 1.00 51.15 H new ATOM 0 HG2 GLU A 105 -3.040 3.159 -7.767 1.00 63.33 H new ATOM 0 HG3 GLU A 105 -4.716 2.692 -7.978 1.00 63.33 H new ATOM 1692 N VAL A 106 -3.663 5.306 -3.528 1.00 21.13 N ATOM 1693 CA VAL A 106 -3.881 6.178 -2.381 1.00 4.33 C ATOM 1694 C VAL A 106 -3.683 7.627 -2.839 1.00 72.41 C ATOM 1695 O VAL A 106 -2.556 8.040 -3.144 1.00 3.22 O ATOM 1696 CB VAL A 106 -2.886 5.836 -1.196 1.00 54.30 C ATOM 1697 CG1 VAL A 106 -3.345 6.494 0.125 1.00 31.03 C ATOM 1698 CG2 VAL A 106 -2.709 4.308 -1.031 1.00 12.05 C ATOM 0 H VAL A 106 -2.680 5.086 -3.691 1.00 21.13 H new ATOM 0 HA VAL A 106 -4.893 6.031 -2.004 1.00 4.33 H new ATOM 0 HB VAL A 106 -1.912 6.252 -1.453 1.00 54.30 H new ATOM 0 HG11 VAL A 106 -2.643 6.242 0.920 1.00 31.03 H new ATOM 0 HG12 VAL A 106 -3.378 7.576 0.000 1.00 31.03 H new ATOM 0 HG13 VAL A 106 -4.338 6.128 0.388 1.00 31.03 H new ATOM 0 HG21 VAL A 106 -2.021 4.108 -0.210 1.00 12.05 H new ATOM 0 HG22 VAL A 106 -3.675 3.851 -0.814 1.00 12.05 H new ATOM 0 HG23 VAL A 106 -2.307 3.887 -1.952 1.00 12.05 H new ATOM 1708 N ILE A 107 -4.795 8.376 -2.928 1.00 42.30 N ATOM 1709 CA ILE A 107 -4.787 9.756 -3.416 1.00 33.32 C ATOM 1710 C ILE A 107 -4.519 10.700 -2.234 1.00 34.30 C ATOM 1711 O ILE A 107 -5.422 11.006 -1.439 1.00 43.02 O ATOM 1712 CB ILE A 107 -6.138 10.111 -4.156 1.00 11.25 C ATOM 1713 CG1 ILE A 107 -6.413 9.100 -5.326 1.00 45.13 C ATOM 1714 CG2 ILE A 107 -6.140 11.573 -4.678 1.00 30.43 C ATOM 1715 CD1 ILE A 107 -5.328 9.034 -6.403 1.00 43.10 C ATOM 0 H ILE A 107 -5.720 8.038 -2.663 1.00 42.30 H new ATOM 0 HA ILE A 107 -3.992 9.876 -4.152 1.00 33.32 H new ATOM 0 HB ILE A 107 -6.944 10.024 -3.427 1.00 11.25 H new ATOM 0 HG12 ILE A 107 -6.541 8.104 -4.901 1.00 45.13 H new ATOM 0 HG13 ILE A 107 -7.357 9.368 -5.801 1.00 45.13 H new ATOM 0 HG21 ILE A 107 -7.085 11.779 -5.181 1.00 30.43 H new ATOM 0 HG22 ILE A 107 -6.018 12.259 -3.840 1.00 30.43 H new ATOM 0 HG23 ILE A 107 -5.318 11.709 -5.381 1.00 30.43 H new ATOM 0 HD11 ILE A 107 -5.614 8.307 -7.164 1.00 43.10 H new ATOM 0 HD12 ILE A 107 -5.212 10.015 -6.864 1.00 43.10 H new ATOM 0 HD13 ILE A 107 -4.384 8.732 -5.950 1.00 43.10 H new ATOM 1727 N LEU A 108 -3.251 11.113 -2.096 1.00 40.21 N ATOM 1728 CA LEU A 108 -2.822 11.991 -1.005 1.00 1.44 C ATOM 1729 C LEU A 108 -2.743 13.438 -1.505 1.00 0.20 C ATOM 1730 O LEU A 108 -1.713 13.874 -2.023 1.00 54.50 O ATOM 1731 CB LEU A 108 -1.430 11.534 -0.491 1.00 15.23 C ATOM 1732 CG LEU A 108 -1.310 10.066 0.003 1.00 32.33 C ATOM 1733 CD1 LEU A 108 0.145 9.742 0.387 1.00 10.25 C ATOM 1734 CD2 LEU A 108 -2.278 9.781 1.172 1.00 73.12 C ATOM 0 H LEU A 108 -2.501 10.848 -2.734 1.00 40.21 H new ATOM 0 HA LEU A 108 -3.544 11.936 -0.190 1.00 1.44 H new ATOM 0 HB2 LEU A 108 -0.707 11.682 -1.293 1.00 15.23 H new ATOM 0 HB3 LEU A 108 -1.138 12.192 0.327 1.00 15.23 H new ATOM 0 HG LEU A 108 -1.598 9.410 -0.818 1.00 32.33 H new ATOM 0 HD11 LEU A 108 0.209 8.710 0.731 1.00 10.25 H new ATOM 0 HD12 LEU A 108 0.789 9.876 -0.482 1.00 10.25 H new ATOM 0 HD13 LEU A 108 0.468 10.411 1.185 1.00 10.25 H new ATOM 0 HD21 LEU A 108 -2.167 8.745 1.492 1.00 73.12 H new ATOM 0 HD22 LEU A 108 -2.048 10.445 2.005 1.00 73.12 H new ATOM 0 HD23 LEU A 108 -3.304 9.952 0.845 1.00 73.12 H new ATOM 1746 N GLU A 109 -3.804 14.214 -1.287 1.00 24.54 N ATOM 1747 CA GLU A 109 -3.845 15.606 -1.741 1.00 23.43 C ATOM 1748 C GLU A 109 -3.504 16.528 -0.570 1.00 53.35 C ATOM 1749 O GLU A 109 -4.387 17.010 0.144 1.00 3.41 O ATOM 1750 CB GLU A 109 -5.218 15.943 -2.365 1.00 41.14 C ATOM 1751 CG GLU A 109 -5.506 15.182 -3.680 1.00 23.10 C ATOM 1752 CD GLU A 109 -6.813 15.611 -4.366 1.00 24.21 C ATOM 1753 OE1 GLU A 109 -6.830 16.672 -5.030 1.00 24.35 O ATOM 1754 OE2 GLU A 109 -7.834 14.902 -4.233 1.00 1.11 O ATOM 0 H GLU A 109 -4.645 13.905 -0.800 1.00 24.54 H new ATOM 0 HA GLU A 109 -3.102 15.757 -2.524 1.00 23.43 H new ATOM 0 HB2 GLU A 109 -6.002 15.713 -1.643 1.00 41.14 H new ATOM 0 HB3 GLU A 109 -5.267 17.015 -2.558 1.00 41.14 H new ATOM 0 HG2 GLU A 109 -4.676 15.337 -4.369 1.00 23.10 H new ATOM 0 HG3 GLU A 109 -5.550 14.113 -3.469 1.00 23.10 H new ATOM 1761 N LEU A 110 -2.194 16.709 -0.351 1.00 14.11 N ATOM 1762 CA LEU A 110 -1.673 17.682 0.608 1.00 74.35 C ATOM 1763 C LEU A 110 -1.374 18.971 -0.154 1.00 32.50 C ATOM 1764 O LEU A 110 -0.402 19.024 -0.923 1.00 4.34 O ATOM 1765 CB LEU A 110 -0.376 17.184 1.316 1.00 42.54 C ATOM 1766 CG LEU A 110 -0.478 15.837 2.110 1.00 52.44 C ATOM 1767 CD1 LEU A 110 -0.321 14.609 1.193 1.00 22.32 C ATOM 1768 CD2 LEU A 110 0.527 15.795 3.272 1.00 75.30 C ATOM 0 H LEU A 110 -1.468 16.182 -0.837 1.00 14.11 H new ATOM 0 HA LEU A 110 -2.419 17.838 1.387 1.00 74.35 H new ATOM 0 HB2 LEU A 110 0.403 17.075 0.561 1.00 42.54 H new ATOM 0 HB3 LEU A 110 -0.046 17.961 2.006 1.00 42.54 H new ATOM 0 HG LEU A 110 -1.482 15.794 2.533 1.00 52.44 H new ATOM 0 HD11 LEU A 110 -0.399 13.699 1.787 1.00 22.32 H new ATOM 0 HD12 LEU A 110 -1.106 14.617 0.437 1.00 22.32 H new ATOM 0 HD13 LEU A 110 0.653 14.642 0.705 1.00 22.32 H new ATOM 0 HD21 LEU A 110 0.430 14.848 3.802 1.00 75.30 H new ATOM 0 HD22 LEU A 110 1.540 15.890 2.881 1.00 75.30 H new ATOM 0 HD23 LEU A 110 0.324 16.617 3.958 1.00 75.30 H new ATOM 1780 N GLU A 111 -2.238 19.985 0.003 1.00 13.03 N ATOM 1781 CA GLU A 111 -1.950 21.343 -0.480 1.00 14.10 C ATOM 1782 C GLU A 111 -0.985 22.019 0.520 1.00 43.51 C ATOM 1783 O GLU A 111 -1.354 22.870 1.330 1.00 55.14 O ATOM 1784 CB GLU A 111 -3.264 22.160 -0.783 1.00 1.22 C ATOM 1785 CG GLU A 111 -4.478 21.947 0.165 1.00 4.02 C ATOM 1786 CD GLU A 111 -4.351 22.609 1.548 1.00 53.23 C ATOM 1787 OE1 GLU A 111 -4.563 23.840 1.647 1.00 52.54 O ATOM 1788 OE2 GLU A 111 -4.058 21.910 2.539 1.00 73.12 O ATOM 0 H GLU A 111 -3.144 19.889 0.462 1.00 13.03 H new ATOM 0 HA GLU A 111 -1.450 21.304 -1.448 1.00 14.10 H new ATOM 0 HB2 GLU A 111 -3.011 23.220 -0.772 1.00 1.22 H new ATOM 0 HB3 GLU A 111 -3.583 21.919 -1.797 1.00 1.22 H new ATOM 0 HG2 GLU A 111 -5.373 22.332 -0.324 1.00 4.02 H new ATOM 0 HG3 GLU A 111 -4.627 20.876 0.304 1.00 4.02 H new ATOM 1795 N HIS A 112 0.270 21.547 0.473 1.00 70.21 N ATOM 1796 CA HIS A 112 1.365 22.008 1.335 1.00 10.04 C ATOM 1797 C HIS A 112 1.958 23.292 0.714 1.00 34.51 C ATOM 1798 O HIS A 112 3.088 23.303 0.217 1.00 40.42 O ATOM 1799 CB HIS A 112 2.415 20.853 1.479 1.00 15.45 C ATOM 1800 CG HIS A 112 3.486 21.053 2.542 1.00 51.40 C ATOM 1801 ND1 HIS A 112 3.339 20.640 3.854 1.00 42.21 N ATOM 1802 CD2 HIS A 112 4.729 21.604 2.472 1.00 34.13 C ATOM 1803 CE1 HIS A 112 4.437 20.920 4.531 1.00 60.44 C ATOM 1804 NE2 HIS A 112 5.290 21.501 3.718 1.00 43.33 N ATOM 0 H HIS A 112 0.556 20.818 -0.180 1.00 70.21 H new ATOM 0 HA HIS A 112 1.021 22.254 2.339 1.00 10.04 H new ATOM 0 HB2 HIS A 112 1.881 19.929 1.699 1.00 15.45 H new ATOM 0 HB3 HIS A 112 2.908 20.715 0.517 1.00 15.45 H new ATOM 0 HD2 HIS A 112 5.188 22.041 1.597 1.00 34.13 H new ATOM 0 HE1 HIS A 112 4.606 20.707 5.576 1.00 60.44 H new ATOM 0 HE2 HIS A 112 6.223 21.824 3.974 1.00 43.33 H new ATOM 1813 N HIS A 113 1.136 24.367 0.713 1.00 71.50 N ATOM 1814 CA HIS A 113 1.462 25.648 0.059 1.00 23.33 C ATOM 1815 C HIS A 113 1.866 26.700 1.113 1.00 33.44 C ATOM 1816 O HIS A 113 1.032 27.210 1.873 1.00 3.43 O ATOM 1817 CB HIS A 113 0.281 26.138 -0.842 1.00 2.24 C ATOM 1818 CG HIS A 113 -1.036 26.397 -0.140 1.00 31.53 C ATOM 1819 ND1 HIS A 113 -2.087 25.585 0.113 1.00 41.43 N flip ATOM 1820 CD2 HIS A 113 -1.391 27.627 0.375 1.00 21.30 C flip ATOM 1821 CE1 HIS A 113 -3.037 26.320 0.758 1.00 73.52 C flip ATOM 1822 NE2 HIS A 113 -2.596 27.550 0.904 1.00 72.33 N flip ATOM 0 H HIS A 113 0.224 24.366 1.169 1.00 71.50 H new ATOM 0 HA HIS A 113 2.317 25.497 -0.600 1.00 23.33 H new ATOM 0 HB2 HIS A 113 0.589 27.057 -1.340 1.00 2.24 H new ATOM 0 HB3 HIS A 113 0.113 25.394 -1.621 1.00 2.24 H new ATOM 0 HD2 HIS A 113 -0.777 28.515 0.349 1.00 21.30 H new ATOM 0 HE1 HIS A 113 -3.995 25.952 1.094 1.00 73.52 H new ATOM 0 HE2 HIS A 113 -3.101 28.315 1.351 1.00 72.33 H new ATOM 1831 N HIS A 114 3.180 26.956 1.175 1.00 11.03 N ATOM 1832 CA HIS A 114 3.786 27.966 2.065 1.00 1.52 C ATOM 1833 C HIS A 114 5.245 28.189 1.668 1.00 23.23 C ATOM 1834 O HIS A 114 5.718 29.330 1.584 1.00 71.52 O ATOM 1835 CB HIS A 114 3.691 27.544 3.558 1.00 40.54 C ATOM 1836 CG HIS A 114 4.353 28.506 4.521 1.00 20.22 C ATOM 1837 ND1 HIS A 114 3.984 29.830 4.636 1.00 30.20 N ATOM 1838 CD2 HIS A 114 5.370 28.331 5.402 1.00 31.44 C ATOM 1839 CE1 HIS A 114 4.748 30.424 5.533 1.00 32.22 C ATOM 1840 NE2 HIS A 114 5.595 29.538 6.012 1.00 25.22 N ATOM 0 H HIS A 114 3.864 26.463 0.602 1.00 11.03 H new ATOM 0 HA HIS A 114 3.231 28.897 1.952 1.00 1.52 H new ATOM 0 HB2 HIS A 114 2.640 27.443 3.829 1.00 40.54 H new ATOM 0 HB3 HIS A 114 4.146 26.560 3.675 1.00 40.54 H new ATOM 0 HD2 HIS A 114 5.904 27.411 5.588 1.00 31.44 H new ATOM 0 HE1 HIS A 114 4.688 31.462 5.825 1.00 32.22 H new ATOM 0 HE2 HIS A 114 6.304 29.720 6.722 1.00 25.22 H new ATOM 1849 N HIS A 115 5.947 27.075 1.430 1.00 11.30 N ATOM 1850 CA HIS A 115 7.378 27.066 1.089 1.00 10.44 C ATOM 1851 C HIS A 115 7.592 27.324 -0.431 1.00 13.51 C ATOM 1852 O HIS A 115 8.727 27.433 -0.900 1.00 54.44 O ATOM 1853 CB HIS A 115 7.984 25.707 1.533 1.00 74.01 C ATOM 1854 CG HIS A 115 9.486 25.637 1.446 1.00 52.44 C ATOM 1855 ND1 HIS A 115 10.156 24.831 0.549 1.00 44.11 N ATOM 1856 CD2 HIS A 115 10.445 26.294 2.139 1.00 53.30 C ATOM 1857 CE1 HIS A 115 11.452 24.991 0.700 1.00 44.41 C ATOM 1858 NE2 HIS A 115 11.653 25.874 1.652 1.00 43.24 N ATOM 0 H HIS A 115 5.535 26.143 1.469 1.00 11.30 H new ATOM 0 HA HIS A 115 7.888 27.873 1.615 1.00 10.44 H new ATOM 0 HB2 HIS A 115 7.682 25.507 2.561 1.00 74.01 H new ATOM 0 HB3 HIS A 115 7.559 24.915 0.916 1.00 74.01 H new ATOM 0 HD2 HIS A 115 10.287 27.014 2.928 1.00 53.30 H new ATOM 0 HE1 HIS A 115 12.221 24.483 0.137 1.00 44.41 H new ATOM 0 HE2 HIS A 115 12.565 26.196 1.977 1.00 43.24 H new ATOM 1867 N HIS A 116 6.484 27.386 -1.190 1.00 1.25 N ATOM 1868 CA HIS A 116 6.496 27.773 -2.616 1.00 31.10 C ATOM 1869 C HIS A 116 6.641 29.301 -2.708 1.00 22.30 C ATOM 1870 O HIS A 116 5.829 30.021 -2.116 1.00 70.24 O ATOM 1871 CB HIS A 116 5.175 27.305 -3.298 1.00 54.41 C ATOM 1872 CG HIS A 116 5.133 27.459 -4.806 1.00 3.25 C ATOM 1873 ND1 HIS A 116 5.198 26.388 -5.673 1.00 52.32 N ATOM 1874 CD2 HIS A 116 4.991 28.557 -5.597 1.00 21.21 C ATOM 1875 CE1 HIS A 116 5.115 26.819 -6.916 1.00 10.10 C ATOM 1876 NE2 HIS A 116 4.982 28.128 -6.898 1.00 2.21 N ATOM 0 H HIS A 116 5.553 27.169 -0.834 1.00 1.25 H new ATOM 0 HA HIS A 116 7.332 27.299 -3.130 1.00 31.10 H new ATOM 0 HB2 HIS A 116 5.011 26.256 -3.052 1.00 54.41 H new ATOM 0 HB3 HIS A 116 4.345 27.867 -2.869 1.00 54.41 H new ATOM 0 HD2 HIS A 116 4.902 29.579 -5.261 1.00 21.21 H new ATOM 0 HE1 HIS A 116 5.150 26.201 -7.801 1.00 10.10 H new ATOM 0 HE2 HIS A 116 4.888 28.726 -7.719 1.00 2.21 H new ATOM 1885 N HIS A 117 7.678 29.758 -3.445 1.00 32.42 N ATOM 1886 CA HIS A 117 7.992 31.192 -3.649 1.00 65.22 C ATOM 1887 C HIS A 117 8.375 31.872 -2.293 1.00 34.32 C ATOM 1888 O HIS A 117 9.577 31.890 -1.944 1.00 75.23 O ATOM 1889 CB HIS A 117 6.823 31.924 -4.389 1.00 3.04 C ATOM 1890 CG HIS A 117 7.038 33.403 -4.616 1.00 3.33 C ATOM 1891 ND1 HIS A 117 6.581 34.368 -3.744 1.00 1.42 N ATOM 1892 CD2 HIS A 117 7.689 34.073 -5.601 1.00 72.40 C ATOM 1893 CE1 HIS A 117 6.926 35.559 -4.187 1.00 11.34 C ATOM 1894 NE2 HIS A 117 7.601 35.409 -5.304 1.00 53.05 N ATOM 1895 OXT HIS A 117 7.480 32.371 -1.579 1.00 37.38 O ATOM 0 H HIS A 117 8.329 29.134 -3.921 1.00 32.42 H new ATOM 0 HA HIS A 117 8.864 31.272 -4.298 1.00 65.22 H new ATOM 0 HB2 HIS A 117 6.666 31.443 -5.354 1.00 3.04 H new ATOM 0 HB3 HIS A 117 5.907 31.789 -3.813 1.00 3.04 H new ATOM 0 HD2 HIS A 117 8.183 33.637 -6.457 1.00 72.40 H new ATOM 0 HE1 HIS A 117 6.693 36.501 -3.712 1.00 11.34 H new ATOM 0 HE2 HIS A 117 7.997 36.166 -5.862 1.00 53.05 H new TER 1904 HIS A 117