USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 847 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 38 HIS : no HD1:sc= -1.76 K(o=-1.8,f=-0.43) USER MOD Set 1.2: A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 23 TYR OH : rot 72:sc= 1.38 USER MOD Set 2.2: A 65 SER OG : rot -129:sc= 1.14 USER MOD Set 3.1: A 3 GLN : amide:sc= -0.798 K(o=-0.94,f=-0.081) USER MOD Set 3.2: A 7 GLN : amide:sc= -0.142 K(o=-0.94,f=-0.081) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.0551 (180deg=-0.757) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 HIS : no HD1:sc= -0.34 K(o=-0.34,f=-1.1) USER MOD Single : A 14 GLN : amide:sc= -0.851 X(o=-0.85,f=-0.82) USER MOD Single : A 17 LYS NZ :NH3+ -160:sc= 2.16 (180deg=1.66) USER MOD Single : A 19 LYS NZ :NH3+ -134:sc= 1.18 (180deg=-0.288) USER MOD Single : A 21 SER OG : rot 80:sc= -0.222 USER MOD Single : A 22 THR OG1 : rot -64:sc= -0.146 USER MOD Single : A 28 LYS NZ :NH3+ -173:sc=-0.00727 (180deg=-0.0908) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0781 X(o=-0.078,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.487 USER MOD Single : A 51 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0584) USER MOD Single : A 59 ASN : amide:sc= -0.852 K(o=-0.85,f=-7.3!) USER MOD Single : A 60 SER OG : rot -33:sc= 0.22 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -111:sc= 0.197 (180deg=-0.259) USER MOD Single : A 67 LYS NZ :NH3+ 164:sc= -0.0913 (180deg=-0.345) USER MOD Single : A 74 GLN : amide:sc= -1.94 K(o=-1.9,f=-2.9!) USER MOD Single : A 75 LYS NZ :NH3+ -161:sc= 2.25 (180deg=1.34) USER MOD Single : A 76 GLN : amide:sc= -0.976 K(o=-0.98,f=-2.4!) USER MOD Single : A 77 LYS NZ :NH3+ -176:sc= 1.12 (180deg=1.07) USER MOD Single : A 86 SER OG : rot 170:sc= -2.83! USER MOD Single : A 90 LYS NZ :NH3+ 161:sc= -0.0539 (180deg=-0.324) USER MOD Single : A 95 LYS NZ :NH3+ 163:sc= -0.106 (180deg=-0.486) USER MOD Single : A 96 TYR OH : rot 150:sc= 0.575 USER MOD Single : A 97 LYS NZ :NH3+ -179:sc= 1.11 (180deg=1.11) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.817 -3.264 14.116 1.00 64.23 N ATOM 2 CA MET A 1 -14.966 -3.048 12.913 1.00 21.51 C ATOM 3 C MET A 1 -15.425 -3.939 11.748 1.00 5.33 C ATOM 4 O MET A 1 -15.648 -5.137 11.926 1.00 42.40 O ATOM 5 CB MET A 1 -13.494 -3.326 13.255 1.00 71.13 C ATOM 6 CG MET A 1 -12.522 -2.963 12.142 1.00 70.41 C ATOM 7 SD MET A 1 -12.727 -1.259 11.586 1.00 12.22 S ATOM 8 CE MET A 1 -11.259 -1.043 10.582 1.00 73.25 C ATOM 0 H1 MET A 1 -15.487 -2.651 14.889 1.00 64.23 H new ATOM 0 H2 MET A 1 -16.805 -3.033 13.888 1.00 64.23 H new ATOM 0 H3 MET A 1 -15.754 -4.259 14.412 1.00 64.23 H new ATOM 0 HA MET A 1 -15.067 -2.009 12.601 1.00 21.51 H new ATOM 0 HB2 MET A 1 -13.228 -2.767 14.152 1.00 71.13 H new ATOM 0 HB3 MET A 1 -13.380 -4.384 13.493 1.00 71.13 H new ATOM 0 HG2 MET A 1 -11.500 -3.108 12.493 1.00 70.41 H new ATOM 0 HG3 MET A 1 -12.669 -3.638 11.299 1.00 70.41 H new ATOM 0 HE1 MET A 1 -11.405 -0.206 9.899 1.00 73.25 H new ATOM 0 HE2 MET A 1 -10.404 -0.841 11.227 1.00 73.25 H new ATOM 0 HE3 MET A 1 -11.074 -1.951 10.008 1.00 73.25 H new ATOM 20 N ASP A 2 -15.565 -3.345 10.561 1.00 64.33 N ATOM 21 CA ASP A 2 -16.047 -4.059 9.371 1.00 4.33 C ATOM 22 C ASP A 2 -15.202 -5.302 9.051 1.00 21.42 C ATOM 23 O ASP A 2 -13.975 -5.221 8.957 1.00 70.51 O ATOM 24 CB ASP A 2 -16.049 -3.113 8.169 1.00 54.14 C ATOM 25 CG ASP A 2 -16.903 -1.885 8.412 1.00 13.14 C ATOM 26 OD1 ASP A 2 -16.474 -1.004 9.189 1.00 15.44 O ATOM 27 OD2 ASP A 2 -18.010 -1.806 7.844 1.00 34.12 O ATOM 0 H ASP A 2 -15.350 -2.362 10.395 1.00 64.33 H new ATOM 0 HA ASP A 2 -17.060 -4.401 9.584 1.00 4.33 H new ATOM 0 HB2 ASP A 2 -15.027 -2.805 7.949 1.00 54.14 H new ATOM 0 HB3 ASP A 2 -16.419 -3.643 7.291 1.00 54.14 H new ATOM 32 N GLN A 3 -15.871 -6.444 8.865 1.00 71.30 N ATOM 33 CA GLN A 3 -15.186 -7.709 8.565 1.00 73.14 C ATOM 34 C GLN A 3 -14.237 -7.569 7.366 1.00 42.24 C ATOM 35 O GLN A 3 -13.102 -8.043 7.413 1.00 32.42 O ATOM 36 CB GLN A 3 -16.202 -8.828 8.293 1.00 31.14 C ATOM 37 CG GLN A 3 -15.567 -10.199 8.072 1.00 52.41 C ATOM 38 CD GLN A 3 -14.761 -10.680 9.269 1.00 0.32 C ATOM 39 OE1 GLN A 3 -15.277 -11.347 10.156 1.00 24.51 O ATOM 40 NE2 GLN A 3 -13.490 -10.334 9.308 1.00 64.22 N ATOM 0 H GLN A 3 -16.887 -6.520 8.917 1.00 71.30 H new ATOM 0 HA GLN A 3 -14.593 -7.969 9.442 1.00 73.14 H new ATOM 0 HB2 GLN A 3 -16.893 -8.890 9.133 1.00 31.14 H new ATOM 0 HB3 GLN A 3 -16.791 -8.565 7.414 1.00 31.14 H new ATOM 0 HG2 GLN A 3 -16.350 -10.925 7.853 1.00 52.41 H new ATOM 0 HG3 GLN A 3 -14.918 -10.156 7.197 1.00 52.41 H new ATOM 0 HE21 GLN A 3 -13.090 -9.777 8.553 1.00 64.22 H new ATOM 0 HE22 GLN A 3 -12.907 -10.623 10.093 1.00 64.22 H new ATOM 49 N PHE A 4 -14.703 -6.905 6.304 1.00 72.51 N ATOM 50 CA PHE A 4 -13.877 -6.670 5.113 1.00 2.13 C ATOM 51 C PHE A 4 -12.558 -5.978 5.484 1.00 12.43 C ATOM 52 O PHE A 4 -11.475 -6.428 5.106 1.00 33.54 O ATOM 53 CB PHE A 4 -14.648 -5.817 4.093 1.00 62.12 C ATOM 54 CG PHE A 4 -13.796 -5.307 2.954 1.00 64.20 C ATOM 55 CD1 PHE A 4 -13.277 -6.181 2.009 1.00 42.34 C ATOM 56 CD2 PHE A 4 -13.508 -3.953 2.833 1.00 43.32 C ATOM 57 CE1 PHE A 4 -12.492 -5.716 0.972 1.00 72.42 C ATOM 58 CE2 PHE A 4 -12.724 -3.484 1.797 1.00 24.44 C ATOM 59 CZ PHE A 4 -12.214 -4.368 0.867 1.00 2.20 C ATOM 0 H PHE A 4 -15.646 -6.521 6.243 1.00 72.51 H new ATOM 0 HA PHE A 4 -13.643 -7.637 4.668 1.00 2.13 H new ATOM 0 HB2 PHE A 4 -15.467 -6.409 3.684 1.00 62.12 H new ATOM 0 HB3 PHE A 4 -15.095 -4.967 4.609 1.00 62.12 H new ATOM 0 HD1 PHE A 4 -13.489 -7.237 2.085 1.00 42.34 H new ATOM 0 HD2 PHE A 4 -13.903 -3.258 3.559 1.00 43.32 H new ATOM 0 HE1 PHE A 4 -12.096 -6.407 0.243 1.00 72.42 H new ATOM 0 HE2 PHE A 4 -12.510 -2.429 1.715 1.00 24.44 H new ATOM 0 HZ PHE A 4 -11.598 -4.005 0.058 1.00 2.20 H new ATOM 69 N LEU A 5 -12.665 -4.888 6.238 1.00 44.23 N ATOM 70 CA LEU A 5 -11.493 -4.129 6.674 1.00 14.21 C ATOM 71 C LEU A 5 -10.560 -4.990 7.539 1.00 55.10 C ATOM 72 O LEU A 5 -9.345 -4.953 7.377 1.00 45.45 O ATOM 73 CB LEU A 5 -11.942 -2.881 7.441 1.00 3.53 C ATOM 74 CG LEU A 5 -12.854 -1.928 6.648 1.00 13.11 C ATOM 75 CD1 LEU A 5 -13.303 -0.757 7.518 1.00 60.15 C ATOM 76 CD2 LEU A 5 -12.151 -1.428 5.389 1.00 23.20 C ATOM 0 H LEU A 5 -13.554 -4.508 6.562 1.00 44.23 H new ATOM 0 HA LEU A 5 -10.931 -3.824 5.791 1.00 14.21 H new ATOM 0 HB2 LEU A 5 -12.466 -3.196 8.343 1.00 3.53 H new ATOM 0 HB3 LEU A 5 -11.057 -2.331 7.762 1.00 3.53 H new ATOM 0 HG LEU A 5 -13.741 -2.484 6.344 1.00 13.11 H new ATOM 0 HD11 LEU A 5 -13.946 -0.097 6.936 1.00 60.15 H new ATOM 0 HD12 LEU A 5 -13.854 -1.134 8.379 1.00 60.15 H new ATOM 0 HD13 LEU A 5 -12.429 -0.202 7.861 1.00 60.15 H new ATOM 0 HD21 LEU A 5 -12.814 -0.756 4.844 1.00 23.20 H new ATOM 0 HD22 LEU A 5 -11.242 -0.894 5.667 1.00 23.20 H new ATOM 0 HD23 LEU A 5 -11.893 -2.276 4.755 1.00 23.20 H new ATOM 88 N VAL A 6 -11.138 -5.777 8.444 1.00 34.21 N ATOM 89 CA VAL A 6 -10.353 -6.686 9.291 1.00 11.14 C ATOM 90 C VAL A 6 -9.558 -7.696 8.443 1.00 2.32 C ATOM 91 O VAL A 6 -8.393 -7.979 8.721 1.00 60.14 O ATOM 92 CB VAL A 6 -11.263 -7.460 10.281 1.00 74.12 C ATOM 93 CG1 VAL A 6 -10.445 -8.407 11.156 1.00 33.41 C ATOM 94 CG2 VAL A 6 -12.073 -6.492 11.142 1.00 24.43 C ATOM 0 H VAL A 6 -12.143 -5.807 8.613 1.00 34.21 H new ATOM 0 HA VAL A 6 -9.655 -6.067 9.855 1.00 11.14 H new ATOM 0 HB VAL A 6 -11.958 -8.062 9.696 1.00 74.12 H new ATOM 0 HG11 VAL A 6 -11.109 -8.936 11.840 1.00 33.41 H new ATOM 0 HG12 VAL A 6 -9.925 -9.128 10.525 1.00 33.41 H new ATOM 0 HG13 VAL A 6 -9.716 -7.834 11.729 1.00 33.41 H new ATOM 0 HG21 VAL A 6 -12.704 -7.056 11.829 1.00 24.43 H new ATOM 0 HG22 VAL A 6 -11.395 -5.857 11.711 1.00 24.43 H new ATOM 0 HG23 VAL A 6 -12.699 -5.871 10.501 1.00 24.43 H new ATOM 104 N GLN A 7 -10.196 -8.223 7.399 1.00 63.11 N ATOM 105 CA GLN A 7 -9.567 -9.221 6.524 1.00 14.44 C ATOM 106 C GLN A 7 -8.384 -8.629 5.735 1.00 63.13 C ATOM 107 O GLN A 7 -7.271 -9.158 5.787 1.00 73.42 O ATOM 108 CB GLN A 7 -10.609 -9.811 5.559 1.00 24.23 C ATOM 109 CG GLN A 7 -11.766 -10.520 6.260 1.00 60.42 C ATOM 110 CD GLN A 7 -11.334 -11.779 6.996 1.00 73.44 C ATOM 111 OE1 GLN A 7 -11.361 -12.876 6.451 1.00 42.12 O ATOM 112 NE2 GLN A 7 -10.918 -11.630 8.240 1.00 30.22 N ATOM 0 H GLN A 7 -11.150 -7.977 7.135 1.00 63.11 H new ATOM 0 HA GLN A 7 -9.173 -10.015 7.159 1.00 14.44 H new ATOM 0 HB2 GLN A 7 -11.009 -9.010 4.937 1.00 24.23 H new ATOM 0 HB3 GLN A 7 -10.114 -10.516 4.891 1.00 24.23 H new ATOM 0 HG2 GLN A 7 -12.230 -9.833 6.968 1.00 60.42 H new ATOM 0 HG3 GLN A 7 -12.526 -10.780 5.523 1.00 60.42 H new ATOM 0 HE21 GLN A 7 -10.907 -10.704 8.667 1.00 30.22 H new ATOM 0 HE22 GLN A 7 -10.607 -12.441 8.775 1.00 30.22 H new ATOM 121 N ILE A 8 -8.625 -7.532 5.012 1.00 63.32 N ATOM 122 CA ILE A 8 -7.569 -6.890 4.215 1.00 53.02 C ATOM 123 C ILE A 8 -6.428 -6.359 5.102 1.00 0.12 C ATOM 124 O ILE A 8 -5.251 -6.554 4.791 1.00 32.31 O ATOM 125 CB ILE A 8 -8.123 -5.744 3.323 1.00 20.45 C ATOM 126 CG1 ILE A 8 -8.806 -4.656 4.170 1.00 61.14 C ATOM 127 CG2 ILE A 8 -9.091 -6.304 2.282 1.00 61.35 C ATOM 128 CD1 ILE A 8 -9.295 -3.466 3.366 1.00 64.34 C ATOM 0 H ILE A 8 -9.533 -7.071 4.960 1.00 63.32 H new ATOM 0 HA ILE A 8 -7.169 -7.665 3.562 1.00 53.02 H new ATOM 0 HB ILE A 8 -7.282 -5.281 2.806 1.00 20.45 H new ATOM 0 HG12 ILE A 8 -9.652 -5.098 4.697 1.00 61.14 H new ATOM 0 HG13 ILE A 8 -8.105 -4.306 4.928 1.00 61.14 H new ATOM 0 HG21 ILE A 8 -9.471 -5.491 1.664 1.00 61.35 H new ATOM 0 HG22 ILE A 8 -8.570 -7.025 1.652 1.00 61.35 H new ATOM 0 HG23 ILE A 8 -9.923 -6.796 2.786 1.00 61.35 H new ATOM 0 HD11 ILE A 8 -9.764 -2.744 4.034 1.00 64.34 H new ATOM 0 HD12 ILE A 8 -8.451 -2.997 2.860 1.00 64.34 H new ATOM 0 HD13 ILE A 8 -10.022 -3.801 2.626 1.00 64.34 H new ATOM 140 N PHE A 9 -6.775 -5.711 6.217 1.00 15.21 N ATOM 141 CA PHE A 9 -5.769 -5.192 7.157 1.00 54.42 C ATOM 142 C PHE A 9 -4.902 -6.325 7.721 1.00 54.04 C ATOM 143 O PHE A 9 -3.675 -6.208 7.786 1.00 62.11 O ATOM 144 CB PHE A 9 -6.437 -4.427 8.311 1.00 64.14 C ATOM 145 CG PHE A 9 -7.092 -3.124 7.912 1.00 25.51 C ATOM 146 CD1 PHE A 9 -7.067 -2.678 6.596 1.00 74.43 C ATOM 147 CD2 PHE A 9 -7.730 -2.340 8.864 1.00 63.05 C ATOM 148 CE1 PHE A 9 -7.661 -1.483 6.243 1.00 10.44 C ATOM 149 CE2 PHE A 9 -8.327 -1.144 8.513 1.00 75.15 C ATOM 150 CZ PHE A 9 -8.292 -0.716 7.201 1.00 13.13 C ATOM 0 H PHE A 9 -7.740 -5.532 6.493 1.00 15.21 H new ATOM 0 HA PHE A 9 -5.129 -4.505 6.602 1.00 54.42 H new ATOM 0 HB2 PHE A 9 -7.189 -5.071 8.768 1.00 64.14 H new ATOM 0 HB3 PHE A 9 -5.687 -4.222 9.075 1.00 64.14 H new ATOM 0 HD1 PHE A 9 -6.577 -3.274 5.840 1.00 74.43 H new ATOM 0 HD2 PHE A 9 -7.760 -2.669 9.892 1.00 63.05 H new ATOM 0 HE1 PHE A 9 -7.632 -1.148 5.217 1.00 10.44 H new ATOM 0 HE2 PHE A 9 -8.820 -0.545 9.264 1.00 75.15 H new ATOM 0 HZ PHE A 9 -8.758 0.218 6.925 1.00 13.13 H new ATOM 160 N ALA A 10 -5.548 -7.422 8.123 1.00 35.41 N ATOM 161 CA ALA A 10 -4.837 -8.603 8.624 1.00 3.44 C ATOM 162 C ALA A 10 -3.754 -9.059 7.638 1.00 72.21 C ATOM 163 O ALA A 10 -2.631 -9.359 8.031 1.00 22.41 O ATOM 164 CB ALA A 10 -5.819 -9.740 8.898 1.00 25.40 C ATOM 0 H ALA A 10 -6.563 -7.518 8.112 1.00 35.41 H new ATOM 0 HA ALA A 10 -4.347 -8.328 9.558 1.00 3.44 H new ATOM 0 HB1 ALA A 10 -5.275 -10.609 9.269 1.00 25.40 H new ATOM 0 HB2 ALA A 10 -6.546 -9.421 9.645 1.00 25.40 H new ATOM 0 HB3 ALA A 10 -6.337 -10.003 7.976 1.00 25.40 H new ATOM 170 N VAL A 11 -4.098 -9.081 6.350 1.00 41.43 N ATOM 171 CA VAL A 11 -3.149 -9.469 5.298 1.00 33.45 C ATOM 172 C VAL A 11 -1.979 -8.474 5.204 1.00 11.23 C ATOM 173 O VAL A 11 -0.811 -8.871 5.171 1.00 61.51 O ATOM 174 CB VAL A 11 -3.846 -9.566 3.916 1.00 34.42 C ATOM 175 CG1 VAL A 11 -2.849 -9.939 2.817 1.00 24.25 C ATOM 176 CG2 VAL A 11 -5.000 -10.566 3.965 1.00 22.30 C ATOM 0 H VAL A 11 -5.027 -8.835 6.007 1.00 41.43 H new ATOM 0 HA VAL A 11 -2.761 -10.450 5.571 1.00 33.45 H new ATOM 0 HB VAL A 11 -4.252 -8.584 3.675 1.00 34.42 H new ATOM 0 HG11 VAL A 11 -3.368 -9.999 1.860 1.00 24.25 H new ATOM 0 HG12 VAL A 11 -2.069 -9.179 2.760 1.00 24.25 H new ATOM 0 HG13 VAL A 11 -2.399 -10.905 3.047 1.00 24.25 H new ATOM 0 HG21 VAL A 11 -5.476 -10.620 2.986 1.00 22.30 H new ATOM 0 HG22 VAL A 11 -4.618 -11.550 4.237 1.00 22.30 H new ATOM 0 HG23 VAL A 11 -5.730 -10.243 4.707 1.00 22.30 H new ATOM 186 N ILE A 12 -2.308 -7.181 5.192 1.00 60.11 N ATOM 187 CA ILE A 12 -1.308 -6.105 5.073 1.00 35.41 C ATOM 188 C ILE A 12 -0.226 -6.190 6.164 1.00 2.41 C ATOM 189 O ILE A 12 0.937 -5.865 5.924 1.00 53.12 O ATOM 190 CB ILE A 12 -1.990 -4.714 5.136 1.00 52.43 C ATOM 191 CG1 ILE A 12 -3.024 -4.582 4.007 1.00 44.04 C ATOM 192 CG2 ILE A 12 -0.954 -3.591 5.046 1.00 50.32 C ATOM 193 CD1 ILE A 12 -3.914 -3.363 4.123 1.00 52.24 C ATOM 0 H ILE A 12 -3.269 -6.846 5.264 1.00 60.11 H new ATOM 0 HA ILE A 12 -0.824 -6.235 4.105 1.00 35.41 H new ATOM 0 HB ILE A 12 -2.500 -4.625 6.095 1.00 52.43 H new ATOM 0 HG12 ILE A 12 -2.500 -4.547 3.052 1.00 44.04 H new ATOM 0 HG13 ILE A 12 -3.649 -5.475 3.995 1.00 44.04 H new ATOM 0 HG21 ILE A 12 -1.459 -2.626 5.092 1.00 50.32 H new ATOM 0 HG22 ILE A 12 -0.254 -3.675 5.877 1.00 50.32 H new ATOM 0 HG23 ILE A 12 -0.411 -3.672 4.104 1.00 50.32 H new ATOM 0 HD11 ILE A 12 -4.615 -3.344 3.289 1.00 52.24 H new ATOM 0 HD12 ILE A 12 -4.468 -3.405 5.061 1.00 52.24 H new ATOM 0 HD13 ILE A 12 -3.301 -2.462 4.103 1.00 52.24 H new ATOM 205 N HIS A 13 -0.607 -6.637 7.360 1.00 3.33 N ATOM 206 CA HIS A 13 0.351 -6.781 8.471 1.00 30.43 C ATOM 207 C HIS A 13 1.487 -7.783 8.154 1.00 45.35 C ATOM 208 O HIS A 13 2.519 -7.797 8.832 1.00 32.44 O ATOM 209 CB HIS A 13 -0.375 -7.199 9.758 1.00 44.32 C ATOM 210 CG HIS A 13 -1.126 -6.083 10.422 1.00 22.13 C ATOM 211 ND1 HIS A 13 -0.462 -5.038 11.014 1.00 71.03 N ATOM 212 CD2 HIS A 13 -2.460 -5.900 10.580 1.00 13.14 C ATOM 213 CE1 HIS A 13 -1.392 -4.251 11.517 1.00 44.45 C ATOM 214 NE2 HIS A 13 -2.619 -4.731 11.281 1.00 55.33 N ATOM 0 H HIS A 13 -1.564 -6.906 7.590 1.00 3.33 H new ATOM 0 HA HIS A 13 0.813 -5.804 8.614 1.00 30.43 H new ATOM 0 HB2 HIS A 13 -1.071 -8.005 9.525 1.00 44.32 H new ATOM 0 HB3 HIS A 13 0.355 -7.601 10.461 1.00 44.32 H new ATOM 0 HD2 HIS A 13 -3.246 -6.549 10.223 1.00 13.14 H new ATOM 0 HE1 HIS A 13 -1.190 -3.335 12.052 1.00 44.45 H new ATOM 0 HE2 HIS A 13 -3.502 -4.309 11.567 1.00 55.33 H new ATOM 222 N GLN A 14 1.299 -8.612 7.124 1.00 64.40 N ATOM 223 CA GLN A 14 2.330 -9.578 6.701 1.00 22.54 C ATOM 224 C GLN A 14 3.388 -8.932 5.785 1.00 42.12 C ATOM 225 O GLN A 14 4.389 -9.567 5.444 1.00 70.20 O ATOM 226 CB GLN A 14 1.688 -10.785 5.987 1.00 44.44 C ATOM 227 CG GLN A 14 1.366 -11.965 6.903 1.00 0.12 C ATOM 228 CD GLN A 14 0.368 -11.635 8.001 1.00 10.20 C ATOM 229 OE1 GLN A 14 0.428 -12.182 9.099 1.00 14.11 O ATOM 230 NE2 GLN A 14 -0.574 -10.768 7.709 1.00 0.40 N ATOM 0 H GLN A 14 0.446 -8.638 6.565 1.00 64.40 H new ATOM 0 HA GLN A 14 2.833 -9.920 7.605 1.00 22.54 H new ATOM 0 HB2 GLN A 14 0.769 -10.457 5.501 1.00 44.44 H new ATOM 0 HB3 GLN A 14 2.361 -11.125 5.200 1.00 44.44 H new ATOM 0 HG2 GLN A 14 0.972 -12.783 6.301 1.00 0.12 H new ATOM 0 HG3 GLN A 14 2.290 -12.321 7.359 1.00 0.12 H new ATOM 0 HE21 GLN A 14 -0.597 -10.331 6.788 1.00 0.40 H new ATOM 0 HE22 GLN A 14 -1.283 -10.532 8.403 1.00 0.40 H new ATOM 239 N ILE A 15 3.164 -7.682 5.383 1.00 22.34 N ATOM 240 CA ILE A 15 4.119 -6.966 4.526 1.00 62.12 C ATOM 241 C ILE A 15 5.291 -6.395 5.352 1.00 42.35 C ATOM 242 O ILE A 15 5.084 -5.550 6.225 1.00 2.45 O ATOM 243 CB ILE A 15 3.428 -5.812 3.754 1.00 61.01 C ATOM 244 CG1 ILE A 15 2.205 -6.336 2.981 1.00 72.23 C ATOM 245 CG2 ILE A 15 4.417 -5.152 2.796 1.00 33.15 C ATOM 246 CD1 ILE A 15 1.421 -5.252 2.270 1.00 42.32 C ATOM 0 H ILE A 15 2.335 -7.143 5.633 1.00 22.34 H new ATOM 0 HA ILE A 15 4.507 -7.690 3.809 1.00 62.12 H new ATOM 0 HB ILE A 15 3.088 -5.068 4.474 1.00 61.01 H new ATOM 0 HG12 ILE A 15 2.538 -7.071 2.248 1.00 72.23 H new ATOM 0 HG13 ILE A 15 1.543 -6.855 3.675 1.00 72.23 H new ATOM 0 HG21 ILE A 15 3.920 -4.344 2.260 1.00 33.15 H new ATOM 0 HG22 ILE A 15 5.258 -4.750 3.361 1.00 33.15 H new ATOM 0 HG23 ILE A 15 4.780 -5.891 2.082 1.00 33.15 H new ATOM 0 HD11 ILE A 15 0.575 -5.698 1.748 1.00 42.32 H new ATOM 0 HD12 ILE A 15 1.057 -4.528 2.999 1.00 42.32 H new ATOM 0 HD13 ILE A 15 2.067 -4.748 1.551 1.00 42.32 H new ATOM 258 N PRO A 16 6.536 -6.862 5.103 1.00 51.02 N ATOM 259 CA PRO A 16 7.731 -6.406 5.843 1.00 42.35 C ATOM 260 C PRO A 16 8.141 -4.951 5.527 1.00 72.25 C ATOM 261 O PRO A 16 7.632 -4.330 4.589 1.00 1.44 O ATOM 262 CB PRO A 16 8.837 -7.385 5.391 1.00 21.44 C ATOM 263 CG PRO A 16 8.127 -8.498 4.691 1.00 1.31 C ATOM 264 CD PRO A 16 6.885 -7.886 4.107 1.00 60.24 C ATOM 0 HA PRO A 16 7.545 -6.406 6.917 1.00 42.35 H new ATOM 0 HB2 PRO A 16 9.547 -6.894 4.726 1.00 21.44 H new ATOM 0 HB3 PRO A 16 9.404 -7.757 6.244 1.00 21.44 H new ATOM 0 HG2 PRO A 16 8.753 -8.932 3.911 1.00 1.31 H new ATOM 0 HG3 PRO A 16 7.879 -9.301 5.385 1.00 1.31 H new ATOM 0 HD2 PRO A 16 7.070 -7.450 3.125 1.00 60.24 H new ATOM 0 HD3 PRO A 16 6.089 -8.621 3.985 1.00 60.24 H new ATOM 272 N LYS A 17 9.084 -4.423 6.312 1.00 54.23 N ATOM 273 CA LYS A 17 9.567 -3.048 6.136 1.00 30.22 C ATOM 274 C LYS A 17 10.304 -2.881 4.800 1.00 13.34 C ATOM 275 O LYS A 17 11.306 -3.553 4.544 1.00 24.55 O ATOM 276 CB LYS A 17 10.497 -2.649 7.294 1.00 55.02 C ATOM 277 CG LYS A 17 11.020 -1.215 7.195 1.00 44.42 C ATOM 278 CD LYS A 17 11.949 -0.852 8.351 1.00 2.13 C ATOM 279 CE LYS A 17 12.406 0.607 8.277 1.00 51.23 C ATOM 280 NZ LYS A 17 11.310 1.569 8.575 1.00 21.10 N ATOM 0 H LYS A 17 9.530 -4.927 7.078 1.00 54.23 H new ATOM 0 HA LYS A 17 8.696 -2.393 6.133 1.00 30.22 H new ATOM 0 HB2 LYS A 17 9.961 -2.767 8.236 1.00 55.02 H new ATOM 0 HB3 LYS A 17 11.344 -3.334 7.321 1.00 55.02 H new ATOM 0 HG2 LYS A 17 11.552 -1.090 6.252 1.00 44.42 H new ATOM 0 HG3 LYS A 17 10.177 -0.524 7.179 1.00 44.42 H new ATOM 0 HD2 LYS A 17 11.436 -1.025 9.297 1.00 2.13 H new ATOM 0 HD3 LYS A 17 12.820 -1.507 8.336 1.00 2.13 H new ATOM 0 HE2 LYS A 17 13.223 0.764 8.982 1.00 51.23 H new ATOM 0 HE3 LYS A 17 12.801 0.810 7.281 1.00 51.23 H new ATOM 0 HZ1 LYS A 17 11.556 2.505 8.194 1.00 21.10 H new ATOM 0 HZ2 LYS A 17 10.428 1.237 8.136 1.00 21.10 H new ATOM 0 HZ3 LYS A 17 11.179 1.638 9.604 1.00 21.10 H new ATOM 294 N GLY A 18 9.811 -1.975 3.960 1.00 70.32 N ATOM 295 CA GLY A 18 10.441 -1.727 2.666 1.00 11.20 C ATOM 296 C GLY A 18 9.861 -2.563 1.524 1.00 73.51 C ATOM 297 O GLY A 18 10.493 -2.712 0.476 1.00 22.03 O ATOM 0 H GLY A 18 8.986 -1.406 4.149 1.00 70.32 H new ATOM 0 HA2 GLY A 18 10.337 -0.670 2.419 1.00 11.20 H new ATOM 0 HA3 GLY A 18 11.508 -1.932 2.747 1.00 11.20 H new ATOM 301 N LYS A 19 8.669 -3.120 1.725 1.00 44.00 N ATOM 302 CA LYS A 19 7.975 -3.878 0.672 1.00 4.04 C ATOM 303 C LYS A 19 6.613 -3.247 0.331 1.00 60.24 C ATOM 304 O LYS A 19 5.940 -2.695 1.200 1.00 32.04 O ATOM 305 CB LYS A 19 7.771 -5.342 1.101 1.00 13.45 C ATOM 306 CG LYS A 19 9.059 -6.157 1.219 1.00 13.41 C ATOM 307 CD LYS A 19 9.839 -6.188 -0.095 1.00 11.22 C ATOM 308 CE LYS A 19 10.954 -7.230 -0.071 1.00 33.50 C ATOM 309 NZ LYS A 19 11.922 -7.008 1.037 1.00 71.30 N ATOM 0 H LYS A 19 8.158 -3.064 2.606 1.00 44.00 H new ATOM 0 HA LYS A 19 8.603 -3.848 -0.218 1.00 4.04 H new ATOM 0 HB2 LYS A 19 7.258 -5.357 2.063 1.00 13.45 H new ATOM 0 HB3 LYS A 19 7.113 -5.829 0.381 1.00 13.45 H new ATOM 0 HG2 LYS A 19 9.686 -5.733 2.003 1.00 13.41 H new ATOM 0 HG3 LYS A 19 8.817 -7.176 1.521 1.00 13.41 H new ATOM 0 HD2 LYS A 19 9.157 -6.405 -0.917 1.00 11.22 H new ATOM 0 HD3 LYS A 19 10.266 -5.204 -0.287 1.00 11.22 H new ATOM 0 HE2 LYS A 19 10.516 -8.223 0.028 1.00 33.50 H new ATOM 0 HE3 LYS A 19 11.486 -7.210 -1.022 1.00 33.50 H new ATOM 0 HZ1 LYS A 19 12.892 -7.094 0.673 1.00 71.30 H new ATOM 0 HZ2 LYS A 19 11.784 -6.056 1.433 1.00 71.30 H new ATOM 0 HZ3 LYS A 19 11.767 -7.718 1.781 1.00 71.30 H new ATOM 323 N VAL A 20 6.219 -3.336 -0.939 1.00 44.21 N ATOM 324 CA VAL A 20 4.917 -2.831 -1.395 1.00 32.03 C ATOM 325 C VAL A 20 4.163 -3.891 -2.218 1.00 22.00 C ATOM 326 O VAL A 20 4.757 -4.624 -3.009 1.00 42.52 O ATOM 327 CB VAL A 20 5.056 -1.532 -2.238 1.00 43.43 C ATOM 328 CG1 VAL A 20 5.686 -0.408 -1.416 1.00 2.40 C ATOM 329 CG2 VAL A 20 5.856 -1.784 -3.518 1.00 21.21 C ATOM 0 H VAL A 20 6.784 -3.755 -1.677 1.00 44.21 H new ATOM 0 HA VAL A 20 4.347 -2.600 -0.495 1.00 32.03 H new ATOM 0 HB VAL A 20 4.053 -1.218 -2.527 1.00 43.43 H new ATOM 0 HG11 VAL A 20 5.771 0.488 -2.030 1.00 2.40 H new ATOM 0 HG12 VAL A 20 5.060 -0.196 -0.550 1.00 2.40 H new ATOM 0 HG13 VAL A 20 6.677 -0.714 -1.081 1.00 2.40 H new ATOM 0 HG21 VAL A 20 5.936 -0.857 -4.086 1.00 21.21 H new ATOM 0 HG22 VAL A 20 6.854 -2.138 -3.260 1.00 21.21 H new ATOM 0 HG23 VAL A 20 5.349 -2.537 -4.122 1.00 21.21 H new ATOM 339 N SER A 21 2.853 -3.980 -2.014 1.00 74.11 N ATOM 340 CA SER A 21 2.004 -4.915 -2.771 1.00 21.14 C ATOM 341 C SER A 21 0.883 -4.172 -3.504 1.00 2.50 C ATOM 342 O SER A 21 0.672 -2.979 -3.290 1.00 74.25 O ATOM 343 CB SER A 21 1.392 -5.962 -1.832 1.00 41.31 C ATOM 344 OG SER A 21 0.575 -5.352 -0.846 1.00 14.13 O ATOM 0 H SER A 21 2.347 -3.417 -1.330 1.00 74.11 H new ATOM 0 HA SER A 21 2.635 -5.413 -3.508 1.00 21.14 H new ATOM 0 HB2 SER A 21 0.800 -6.671 -2.410 1.00 41.31 H new ATOM 0 HB3 SER A 21 2.187 -6.530 -1.349 1.00 41.31 H new ATOM 0 HG SER A 21 -0.300 -5.139 -1.232 1.00 14.13 H new ATOM 350 N THR A 22 0.169 -4.875 -4.381 1.00 64.03 N ATOM 351 CA THR A 22 -0.957 -4.272 -5.107 1.00 11.33 C ATOM 352 C THR A 22 -2.295 -4.566 -4.414 1.00 43.43 C ATOM 353 O THR A 22 -2.478 -5.627 -3.807 1.00 50.52 O ATOM 354 CB THR A 22 -1.042 -4.772 -6.570 1.00 65.15 C ATOM 355 OG1 THR A 22 -1.372 -6.167 -6.597 1.00 53.35 O ATOM 356 CG2 THR A 22 0.277 -4.543 -7.308 1.00 1.14 C ATOM 0 H THR A 22 0.344 -5.854 -4.608 1.00 64.03 H new ATOM 0 HA THR A 22 -0.771 -3.198 -5.108 1.00 11.33 H new ATOM 0 HB THR A 22 -1.824 -4.203 -7.074 1.00 65.15 H new ATOM 0 HG1 THR A 22 -0.652 -6.682 -6.177 1.00 53.35 H new ATOM 0 HG21 THR A 22 0.188 -4.904 -8.333 1.00 1.14 H new ATOM 0 HG22 THR A 22 0.509 -3.478 -7.317 1.00 1.14 H new ATOM 0 HG23 THR A 22 1.076 -5.084 -6.801 1.00 1.14 H new ATOM 364 N TYR A 23 -3.233 -3.621 -4.514 1.00 52.41 N ATOM 365 CA TYR A 23 -4.572 -3.778 -3.917 1.00 42.14 C ATOM 366 C TYR A 23 -5.247 -5.090 -4.353 1.00 14.13 C ATOM 367 O TYR A 23 -5.999 -5.697 -3.589 1.00 52.14 O ATOM 368 CB TYR A 23 -5.463 -2.585 -4.291 1.00 52.23 C ATOM 369 CG TYR A 23 -4.911 -1.250 -3.828 1.00 53.13 C ATOM 370 CD1 TYR A 23 -4.847 -0.940 -2.476 1.00 51.53 C ATOM 371 CD2 TYR A 23 -4.442 -0.307 -4.739 1.00 71.43 C ATOM 372 CE1 TYR A 23 -4.333 0.265 -2.043 1.00 62.44 C ATOM 373 CE2 TYR A 23 -3.923 0.900 -4.310 1.00 32.45 C ATOM 374 CZ TYR A 23 -3.872 1.180 -2.962 1.00 62.11 C ATOM 375 OH TYR A 23 -3.346 2.374 -2.528 1.00 13.32 O ATOM 0 H TYR A 23 -3.095 -2.736 -5.002 1.00 52.41 H new ATOM 0 HA TYR A 23 -4.443 -3.814 -2.835 1.00 42.14 H new ATOM 0 HB2 TYR A 23 -5.590 -2.561 -5.373 1.00 52.23 H new ATOM 0 HB3 TYR A 23 -6.452 -2.730 -3.857 1.00 52.23 H new ATOM 0 HD1 TYR A 23 -5.206 -1.655 -1.750 1.00 51.53 H new ATOM 0 HD2 TYR A 23 -4.484 -0.522 -5.797 1.00 71.43 H new ATOM 0 HE1 TYR A 23 -4.293 0.489 -0.987 1.00 62.44 H new ATOM 0 HE2 TYR A 23 -3.559 1.620 -5.028 1.00 32.45 H new ATOM 0 HH TYR A 23 -2.472 2.215 -2.114 1.00 13.32 H new ATOM 385 N GLY A 24 -4.968 -5.524 -5.581 1.00 53.40 N ATOM 386 CA GLY A 24 -5.526 -6.776 -6.083 1.00 4.45 C ATOM 387 C GLY A 24 -5.030 -8.000 -5.315 1.00 73.41 C ATOM 388 O GLY A 24 -5.812 -8.890 -4.976 1.00 51.34 O ATOM 0 H GLY A 24 -4.365 -5.032 -6.240 1.00 53.40 H new ATOM 0 HA2 GLY A 24 -6.614 -6.733 -6.024 1.00 4.45 H new ATOM 0 HA3 GLY A 24 -5.269 -6.886 -7.136 1.00 4.45 H new ATOM 392 N GLU A 25 -3.727 -8.042 -5.039 1.00 71.54 N ATOM 393 CA GLU A 25 -3.124 -9.151 -4.286 1.00 71.11 C ATOM 394 C GLU A 25 -3.659 -9.206 -2.847 1.00 43.13 C ATOM 395 O GLU A 25 -4.010 -10.276 -2.344 1.00 44.32 O ATOM 396 CB GLU A 25 -1.593 -9.017 -4.285 1.00 32.33 C ATOM 397 CG GLU A 25 -0.975 -9.153 -5.676 1.00 24.24 C ATOM 398 CD GLU A 25 0.505 -8.793 -5.723 1.00 30.12 C ATOM 399 OE1 GLU A 25 0.845 -7.628 -5.419 1.00 41.54 O ATOM 400 OE2 GLU A 25 1.328 -9.667 -6.084 1.00 73.14 O ATOM 0 H GLU A 25 -3.064 -7.321 -5.324 1.00 71.54 H new ATOM 0 HA GLU A 25 -3.399 -10.084 -4.778 1.00 71.11 H new ATOM 0 HB2 GLU A 25 -1.320 -8.048 -3.867 1.00 32.33 H new ATOM 0 HB3 GLU A 25 -1.169 -9.778 -3.630 1.00 32.33 H new ATOM 0 HG2 GLU A 25 -1.102 -10.179 -6.022 1.00 24.24 H new ATOM 0 HG3 GLU A 25 -1.519 -8.512 -6.370 1.00 24.24 H new ATOM 407 N ILE A 26 -3.731 -8.045 -2.194 1.00 62.41 N ATOM 408 CA ILE A 26 -4.276 -7.953 -0.833 1.00 4.02 C ATOM 409 C ILE A 26 -5.743 -8.419 -0.785 1.00 34.12 C ATOM 410 O ILE A 26 -6.116 -9.248 0.050 1.00 41.00 O ATOM 411 CB ILE A 26 -4.176 -6.505 -0.282 1.00 14.53 C ATOM 412 CG1 ILE A 26 -2.707 -6.057 -0.204 1.00 10.11 C ATOM 413 CG2 ILE A 26 -4.845 -6.389 1.089 1.00 32.13 C ATOM 414 CD1 ILE A 26 -1.853 -6.893 0.736 1.00 4.25 C ATOM 0 H ILE A 26 -3.420 -7.155 -2.583 1.00 62.41 H new ATOM 0 HA ILE A 26 -3.676 -8.612 -0.206 1.00 4.02 H new ATOM 0 HB ILE A 26 -4.704 -5.846 -0.971 1.00 14.53 H new ATOM 0 HG12 ILE A 26 -2.273 -6.095 -1.203 1.00 10.11 H new ATOM 0 HG13 ILE A 26 -2.672 -5.017 0.119 1.00 10.11 H new ATOM 0 HG21 ILE A 26 -4.759 -5.364 1.450 1.00 32.13 H new ATOM 0 HG22 ILE A 26 -5.898 -6.657 1.004 1.00 32.13 H new ATOM 0 HG23 ILE A 26 -4.355 -7.063 1.791 1.00 32.13 H new ATOM 0 HD11 ILE A 26 -0.831 -6.513 0.734 1.00 4.25 H new ATOM 0 HD12 ILE A 26 -2.260 -6.835 1.746 1.00 4.25 H new ATOM 0 HD13 ILE A 26 -1.855 -7.931 0.403 1.00 4.25 H new ATOM 426 N ALA A 27 -6.566 -7.885 -1.690 1.00 3.24 N ATOM 427 CA ALA A 27 -7.979 -8.272 -1.786 1.00 32.35 C ATOM 428 C ALA A 27 -8.135 -9.783 -2.019 1.00 71.23 C ATOM 429 O ALA A 27 -8.975 -10.438 -1.396 1.00 12.44 O ATOM 430 CB ALA A 27 -8.664 -7.490 -2.904 1.00 23.22 C ATOM 0 H ALA A 27 -6.279 -7.181 -2.370 1.00 3.24 H new ATOM 0 HA ALA A 27 -8.457 -8.031 -0.836 1.00 32.35 H new ATOM 0 HB1 ALA A 27 -9.711 -7.785 -2.966 1.00 23.22 H new ATOM 0 HB2 ALA A 27 -8.600 -6.422 -2.693 1.00 23.22 H new ATOM 0 HB3 ALA A 27 -8.170 -7.703 -3.852 1.00 23.22 H new ATOM 436 N LYS A 28 -7.315 -10.327 -2.918 1.00 25.13 N ATOM 437 CA LYS A 28 -7.323 -11.765 -3.215 1.00 63.44 C ATOM 438 C LYS A 28 -7.021 -12.597 -1.957 1.00 50.33 C ATOM 439 O LYS A 28 -7.729 -13.558 -1.650 1.00 21.12 O ATOM 440 CB LYS A 28 -6.292 -12.085 -4.308 1.00 22.33 C ATOM 441 CG LYS A 28 -6.333 -13.533 -4.794 1.00 43.32 C ATOM 442 CD LYS A 28 -5.231 -13.830 -5.809 1.00 53.42 C ATOM 443 CE LYS A 28 -5.303 -12.912 -7.027 1.00 21.41 C ATOM 444 NZ LYS A 28 -6.627 -12.971 -7.704 1.00 32.31 N ATOM 0 H LYS A 28 -6.633 -9.793 -3.457 1.00 25.13 H new ATOM 0 HA LYS A 28 -8.320 -12.028 -3.568 1.00 63.44 H new ATOM 0 HB2 LYS A 28 -6.460 -11.422 -5.157 1.00 22.33 H new ATOM 0 HB3 LYS A 28 -5.294 -11.868 -3.927 1.00 22.33 H new ATOM 0 HG2 LYS A 28 -6.230 -14.204 -3.941 1.00 43.32 H new ATOM 0 HG3 LYS A 28 -7.305 -13.736 -5.244 1.00 43.32 H new ATOM 0 HD2 LYS A 28 -4.259 -13.718 -5.329 1.00 53.42 H new ATOM 0 HD3 LYS A 28 -5.309 -14.868 -6.134 1.00 53.42 H new ATOM 0 HE2 LYS A 28 -5.101 -11.886 -6.718 1.00 21.41 H new ATOM 0 HE3 LYS A 28 -4.523 -13.191 -7.735 1.00 21.41 H new ATOM 0 HZ1 LYS A 28 -6.589 -12.425 -8.588 1.00 32.31 H new ATOM 0 HZ2 LYS A 28 -6.864 -13.961 -7.918 1.00 32.31 H new ATOM 0 HZ3 LYS A 28 -7.355 -12.568 -7.079 1.00 32.31 H new ATOM 458 N MET A 29 -5.970 -12.217 -1.231 1.00 55.14 N ATOM 459 CA MET A 29 -5.590 -12.913 0.007 1.00 13.22 C ATOM 460 C MET A 29 -6.656 -12.744 1.102 1.00 5.35 C ATOM 461 O MET A 29 -6.810 -13.602 1.972 1.00 53.03 O ATOM 462 CB MET A 29 -4.235 -12.405 0.516 1.00 60.53 C ATOM 463 CG MET A 29 -3.092 -12.603 -0.470 1.00 72.13 C ATOM 464 SD MET A 29 -1.502 -12.077 0.196 1.00 42.23 S ATOM 465 CE MET A 29 -0.457 -12.250 -1.249 1.00 43.34 C ATOM 0 H MET A 29 -5.365 -11.433 -1.475 1.00 55.14 H new ATOM 0 HA MET A 29 -5.510 -13.975 -0.227 1.00 13.22 H new ATOM 0 HB2 MET A 29 -4.320 -11.344 0.750 1.00 60.53 H new ATOM 0 HB3 MET A 29 -3.992 -12.918 1.447 1.00 60.53 H new ATOM 0 HG2 MET A 29 -3.035 -13.656 -0.748 1.00 72.13 H new ATOM 0 HG3 MET A 29 -3.303 -12.044 -1.382 1.00 72.13 H new ATOM 0 HE1 MET A 29 0.563 -11.961 -0.997 1.00 43.34 H new ATOM 0 HE2 MET A 29 -0.468 -13.287 -1.584 1.00 43.34 H new ATOM 0 HE3 MET A 29 -0.830 -11.607 -2.047 1.00 43.34 H new ATOM 475 N ALA A 30 -7.380 -11.629 1.059 1.00 13.44 N ATOM 476 CA ALA A 30 -8.469 -11.374 2.009 1.00 43.14 C ATOM 477 C ALA A 30 -9.742 -12.151 1.632 1.00 65.44 C ATOM 478 O ALA A 30 -10.621 -12.371 2.468 1.00 61.14 O ATOM 479 CB ALA A 30 -8.761 -9.880 2.079 1.00 32.20 C ATOM 0 H ALA A 30 -7.235 -10.884 0.377 1.00 13.44 H new ATOM 0 HA ALA A 30 -8.148 -11.724 2.990 1.00 43.14 H new ATOM 0 HB1 ALA A 30 -9.571 -9.700 2.786 1.00 32.20 H new ATOM 0 HB2 ALA A 30 -7.867 -9.350 2.408 1.00 32.20 H new ATOM 0 HB3 ALA A 30 -9.054 -9.520 1.093 1.00 32.20 H new ATOM 485 N GLY A 31 -9.837 -12.560 0.368 1.00 21.01 N ATOM 486 CA GLY A 31 -10.994 -13.321 -0.096 1.00 41.24 C ATOM 487 C GLY A 31 -12.096 -12.449 -0.690 1.00 20.11 C ATOM 488 O GLY A 31 -13.258 -12.858 -0.748 1.00 31.35 O ATOM 0 H GLY A 31 -9.133 -12.379 -0.347 1.00 21.01 H new ATOM 0 HA2 GLY A 31 -10.668 -14.042 -0.846 1.00 41.24 H new ATOM 0 HA3 GLY A 31 -11.403 -13.891 0.738 1.00 41.24 H new ATOM 492 N TYR A 32 -11.739 -11.246 -1.140 1.00 12.13 N ATOM 493 CA TYR A 32 -12.712 -10.321 -1.741 1.00 14.13 C ATOM 494 C TYR A 32 -12.278 -9.870 -3.151 1.00 13.22 C ATOM 495 O TYR A 32 -11.694 -8.797 -3.323 1.00 50.42 O ATOM 496 CB TYR A 32 -12.912 -9.097 -0.836 1.00 73.42 C ATOM 497 CG TYR A 32 -13.464 -9.422 0.542 1.00 44.41 C ATOM 498 CD1 TYR A 32 -12.615 -9.768 1.588 1.00 31.04 C ATOM 499 CD2 TYR A 32 -14.832 -9.370 0.800 1.00 70.34 C ATOM 500 CE1 TYR A 32 -13.110 -10.054 2.846 1.00 1.31 C ATOM 501 CE2 TYR A 32 -15.333 -9.651 2.059 1.00 74.43 C ATOM 502 CZ TYR A 32 -14.467 -9.994 3.077 1.00 44.40 C ATOM 503 OH TYR A 32 -14.962 -10.265 4.336 1.00 72.41 O ATOM 0 H TYR A 32 -10.786 -10.886 -1.102 1.00 12.13 H new ATOM 0 HA TYR A 32 -13.656 -10.856 -1.839 1.00 14.13 H new ATOM 0 HB2 TYR A 32 -11.957 -8.585 -0.720 1.00 73.42 H new ATOM 0 HB3 TYR A 32 -13.589 -8.401 -1.331 1.00 73.42 H new ATOM 0 HD1 TYR A 32 -11.550 -9.814 1.414 1.00 31.04 H new ATOM 0 HD2 TYR A 32 -15.513 -9.106 0.004 1.00 70.34 H new ATOM 0 HE1 TYR A 32 -12.436 -10.324 3.645 1.00 1.31 H new ATOM 0 HE2 TYR A 32 -16.396 -9.602 2.244 1.00 74.43 H new ATOM 0 HH TYR A 32 -15.938 -10.178 4.330 1.00 72.41 H new ATOM 513 N PRO A 33 -12.541 -10.697 -4.181 1.00 2.12 N ATOM 514 CA PRO A 33 -12.222 -10.355 -5.580 1.00 14.14 C ATOM 515 C PRO A 33 -12.973 -9.101 -6.071 1.00 20.13 C ATOM 516 O PRO A 33 -14.187 -8.977 -5.882 1.00 24.12 O ATOM 517 CB PRO A 33 -12.677 -11.596 -6.369 1.00 32.45 C ATOM 518 CG PRO A 33 -12.740 -12.692 -5.357 1.00 64.24 C ATOM 519 CD PRO A 33 -13.150 -12.034 -4.071 1.00 34.22 C ATOM 0 HA PRO A 33 -11.166 -10.117 -5.704 1.00 14.14 H new ATOM 0 HB2 PRO A 33 -13.648 -11.433 -6.836 1.00 32.45 H new ATOM 0 HB3 PRO A 33 -11.975 -11.836 -7.168 1.00 32.45 H new ATOM 0 HG2 PRO A 33 -13.459 -13.457 -5.652 1.00 64.24 H new ATOM 0 HG3 PRO A 33 -11.774 -13.186 -5.254 1.00 64.24 H new ATOM 0 HD2 PRO A 33 -14.234 -11.978 -3.973 1.00 34.22 H new ATOM 0 HD3 PRO A 33 -12.779 -12.577 -3.202 1.00 34.22 H new ATOM 527 N GLY A 34 -12.246 -8.172 -6.693 1.00 63.44 N ATOM 528 CA GLY A 34 -12.867 -6.958 -7.221 1.00 5.23 C ATOM 529 C GLY A 34 -12.885 -5.796 -6.227 1.00 12.11 C ATOM 530 O GLY A 34 -13.228 -4.668 -6.587 1.00 32.35 O ATOM 0 H GLY A 34 -11.239 -8.235 -6.842 1.00 63.44 H new ATOM 0 HA2 GLY A 34 -12.333 -6.648 -8.119 1.00 5.23 H new ATOM 0 HA3 GLY A 34 -13.890 -7.184 -7.521 1.00 5.23 H new ATOM 534 N TYR A 35 -12.509 -6.064 -4.978 1.00 24.31 N ATOM 535 CA TYR A 35 -12.500 -5.039 -3.923 1.00 42.32 C ATOM 536 C TYR A 35 -11.154 -4.291 -3.839 1.00 4.11 C ATOM 537 O TYR A 35 -10.836 -3.687 -2.815 1.00 52.55 O ATOM 538 CB TYR A 35 -12.836 -5.682 -2.569 1.00 5.24 C ATOM 539 CG TYR A 35 -14.310 -6.016 -2.393 1.00 2.22 C ATOM 540 CD1 TYR A 35 -14.906 -7.047 -3.115 1.00 41.23 C ATOM 541 CD2 TYR A 35 -15.104 -5.299 -1.501 1.00 63.53 C ATOM 542 CE1 TYR A 35 -16.245 -7.351 -2.954 1.00 62.03 C ATOM 543 CE2 TYR A 35 -16.443 -5.599 -1.335 1.00 63.33 C ATOM 544 CZ TYR A 35 -17.009 -6.624 -2.064 1.00 43.24 C ATOM 545 OH TYR A 35 -18.344 -6.927 -1.898 1.00 12.22 O ATOM 0 H TYR A 35 -12.204 -6.986 -4.666 1.00 24.31 H new ATOM 0 HA TYR A 35 -13.259 -4.300 -4.179 1.00 42.32 H new ATOM 0 HB2 TYR A 35 -12.251 -6.595 -2.456 1.00 5.24 H new ATOM 0 HB3 TYR A 35 -12.529 -5.006 -1.771 1.00 5.24 H new ATOM 0 HD1 TYR A 35 -14.312 -7.619 -3.813 1.00 41.23 H new ATOM 0 HD2 TYR A 35 -14.666 -4.495 -0.929 1.00 63.53 H new ATOM 0 HE1 TYR A 35 -16.691 -8.154 -3.522 1.00 62.03 H new ATOM 0 HE2 TYR A 35 -17.043 -5.033 -0.638 1.00 63.33 H new ATOM 0 HH TYR A 35 -18.737 -6.322 -1.235 1.00 12.22 H new ATOM 555 N ALA A 36 -10.391 -4.296 -4.932 1.00 4.41 N ATOM 556 CA ALA A 36 -9.081 -3.630 -4.977 1.00 32.01 C ATOM 557 C ALA A 36 -9.172 -2.139 -4.588 1.00 72.15 C ATOM 558 O ALA A 36 -8.515 -1.686 -3.645 1.00 11.34 O ATOM 559 CB ALA A 36 -8.471 -3.776 -6.367 1.00 72.31 C ATOM 0 H ALA A 36 -10.656 -4.755 -5.804 1.00 4.41 H new ATOM 0 HA ALA A 36 -8.439 -4.117 -4.243 1.00 32.01 H new ATOM 0 HB1 ALA A 36 -7.501 -3.280 -6.392 1.00 72.31 H new ATOM 0 HB2 ALA A 36 -8.344 -4.833 -6.600 1.00 72.31 H new ATOM 0 HB3 ALA A 36 -9.131 -3.319 -7.104 1.00 72.31 H new ATOM 565 N ARG A 37 -9.995 -1.382 -5.317 1.00 42.53 N ATOM 566 CA ARG A 37 -10.199 0.047 -5.030 1.00 13.53 C ATOM 567 C ARG A 37 -10.724 0.267 -3.601 1.00 54.24 C ATOM 568 O ARG A 37 -10.405 1.267 -2.954 1.00 35.30 O ATOM 569 CB ARG A 37 -11.163 0.670 -6.056 1.00 41.11 C ATOM 570 CG ARG A 37 -11.579 2.103 -5.722 1.00 2.04 C ATOM 571 CD ARG A 37 -12.204 2.820 -6.914 1.00 71.45 C ATOM 572 NE ARG A 37 -13.449 2.198 -7.357 1.00 2.24 N ATOM 573 CZ ARG A 37 -14.061 2.508 -8.468 1.00 31.44 C ATOM 574 NH1 ARG A 37 -13.583 3.426 -9.248 1.00 53.41 N ATOM 575 NH2 ARG A 37 -15.162 1.909 -8.790 1.00 1.52 N ATOM 0 H ARG A 37 -10.532 -1.731 -6.111 1.00 42.53 H new ATOM 0 HA ARG A 37 -9.231 0.541 -5.109 1.00 13.53 H new ATOM 0 HB2 ARG A 37 -10.690 0.659 -7.038 1.00 41.11 H new ATOM 0 HB3 ARG A 37 -12.056 0.049 -6.125 1.00 41.11 H new ATOM 0 HG2 ARG A 37 -12.290 2.089 -4.896 1.00 2.04 H new ATOM 0 HG3 ARG A 37 -10.707 2.662 -5.382 1.00 2.04 H new ATOM 0 HD2 ARG A 37 -12.397 3.859 -6.647 1.00 71.45 H new ATOM 0 HD3 ARG A 37 -11.493 2.829 -7.740 1.00 71.45 H new ATOM 0 HE ARG A 37 -13.865 1.480 -6.764 1.00 2.24 H new ATOM 0 HH11 ARG A 37 -12.723 3.912 -8.996 1.00 53.41 H new ATOM 0 HH12 ARG A 37 -14.067 3.662 -10.114 1.00 53.41 H new ATOM 0 HH21 ARG A 37 -15.552 1.194 -8.176 1.00 1.52 H new ATOM 0 HH22 ARG A 37 -15.640 2.152 -9.658 1.00 1.52 H new ATOM 589 N HIS A 38 -11.509 -0.685 -3.108 1.00 45.42 N ATOM 590 CA HIS A 38 -12.071 -0.603 -1.757 1.00 44.03 C ATOM 591 C HIS A 38 -10.968 -0.660 -0.690 1.00 43.24 C ATOM 592 O HIS A 38 -11.004 0.084 0.294 1.00 53.34 O ATOM 593 CB HIS A 38 -13.096 -1.719 -1.550 1.00 31.05 C ATOM 594 CG HIS A 38 -14.253 -1.620 -2.495 1.00 20.13 C ATOM 595 ND1 HIS A 38 -15.417 -0.998 -2.134 1.00 35.20 N ATOM 596 CD2 HIS A 38 -14.364 -2.057 -3.772 1.00 34.40 C ATOM 597 CE1 HIS A 38 -16.207 -1.066 -3.188 1.00 11.22 C ATOM 598 NE2 HIS A 38 -15.614 -1.702 -4.204 1.00 13.42 N ATOM 0 H HIS A 38 -11.773 -1.526 -3.622 1.00 45.42 H new ATOM 0 HA HIS A 38 -12.575 0.358 -1.650 1.00 44.03 H new ATOM 0 HB2 HIS A 38 -12.607 -2.685 -1.679 1.00 31.05 H new ATOM 0 HB3 HIS A 38 -13.465 -1.683 -0.525 1.00 31.05 H new ATOM 0 HD2 HIS A 38 -13.612 -2.584 -4.340 1.00 34.40 H new ATOM 0 HE1 HIS A 38 -17.207 -0.659 -3.226 1.00 11.22 H new ATOM 0 HE2 HIS A 38 -16.015 -1.887 -5.123 1.00 13.42 H new ATOM 606 N VAL A 39 -9.980 -1.533 -0.896 1.00 45.13 N ATOM 607 CA VAL A 39 -8.787 -1.561 -0.040 1.00 25.15 C ATOM 608 C VAL A 39 -8.080 -0.194 -0.070 1.00 64.23 C ATOM 609 O VAL A 39 -7.586 0.294 0.950 1.00 42.30 O ATOM 610 CB VAL A 39 -7.788 -2.665 -0.480 1.00 35.14 C ATOM 611 CG1 VAL A 39 -6.577 -2.716 0.453 1.00 25.43 C ATOM 612 CG2 VAL A 39 -8.482 -4.024 -0.545 1.00 14.01 C ATOM 0 H VAL A 39 -9.980 -2.227 -1.643 1.00 45.13 H new ATOM 0 HA VAL A 39 -9.119 -1.785 0.974 1.00 25.15 H new ATOM 0 HB VAL A 39 -7.429 -2.416 -1.479 1.00 35.14 H new ATOM 0 HG11 VAL A 39 -5.894 -3.498 0.121 1.00 25.43 H new ATOM 0 HG12 VAL A 39 -6.063 -1.755 0.436 1.00 25.43 H new ATOM 0 HG13 VAL A 39 -6.909 -2.932 1.469 1.00 25.43 H new ATOM 0 HG21 VAL A 39 -7.765 -4.784 -0.855 1.00 14.01 H new ATOM 0 HG22 VAL A 39 -8.878 -4.278 0.438 1.00 14.01 H new ATOM 0 HG23 VAL A 39 -9.299 -3.981 -1.265 1.00 14.01 H new ATOM 622 N GLY A 40 -8.066 0.427 -1.251 1.00 13.24 N ATOM 623 CA GLY A 40 -7.476 1.753 -1.405 1.00 32.55 C ATOM 624 C GLY A 40 -8.205 2.828 -0.600 1.00 33.11 C ATOM 625 O GLY A 40 -7.580 3.740 -0.050 1.00 31.32 O ATOM 0 H GLY A 40 -8.454 0.034 -2.108 1.00 13.24 H new ATOM 0 HA2 GLY A 40 -6.432 1.719 -1.093 1.00 32.55 H new ATOM 0 HA3 GLY A 40 -7.485 2.028 -2.460 1.00 32.55 H new ATOM 629 N LYS A 41 -9.535 2.727 -0.534 1.00 54.33 N ATOM 630 CA LYS A 41 -10.338 3.652 0.277 1.00 74.21 C ATOM 631 C LYS A 41 -9.974 3.519 1.761 1.00 43.44 C ATOM 632 O LYS A 41 -9.750 4.513 2.450 1.00 13.33 O ATOM 633 CB LYS A 41 -11.843 3.381 0.102 1.00 53.10 C ATOM 634 CG LYS A 41 -12.337 3.400 -1.342 1.00 42.22 C ATOM 635 CD LYS A 41 -13.860 3.279 -1.410 1.00 4.24 C ATOM 636 CE LYS A 41 -14.376 2.069 -0.631 1.00 50.31 C ATOM 637 NZ LYS A 41 -15.863 2.032 -0.565 1.00 71.22 N ATOM 0 H LYS A 41 -10.078 2.019 -1.028 1.00 54.33 H new ATOM 0 HA LYS A 41 -10.118 4.663 -0.065 1.00 74.21 H new ATOM 0 HB2 LYS A 41 -12.075 2.409 0.537 1.00 53.10 H new ATOM 0 HB3 LYS A 41 -12.400 4.126 0.671 1.00 53.10 H new ATOM 0 HG2 LYS A 41 -12.022 4.325 -1.824 1.00 42.22 H new ATOM 0 HG3 LYS A 41 -11.880 2.580 -1.896 1.00 42.22 H new ATOM 0 HD2 LYS A 41 -14.313 4.187 -1.011 1.00 4.24 H new ATOM 0 HD3 LYS A 41 -14.171 3.198 -2.452 1.00 4.24 H new ATOM 0 HE2 LYS A 41 -14.013 1.155 -1.101 1.00 50.31 H new ATOM 0 HE3 LYS A 41 -13.970 2.091 0.380 1.00 50.31 H new ATOM 0 HZ1 LYS A 41 -16.166 1.195 -0.028 1.00 71.22 H new ATOM 0 HZ2 LYS A 41 -16.211 2.891 -0.093 1.00 71.22 H new ATOM 0 HZ3 LYS A 41 -16.252 1.984 -1.528 1.00 71.22 H new ATOM 651 N ALA A 42 -9.907 2.275 2.234 1.00 52.35 N ATOM 652 CA ALA A 42 -9.601 1.980 3.637 1.00 4.43 C ATOM 653 C ALA A 42 -8.281 2.628 4.085 1.00 72.41 C ATOM 654 O ALA A 42 -8.231 3.329 5.097 1.00 32.52 O ATOM 655 CB ALA A 42 -9.545 0.471 3.846 1.00 14.30 C ATOM 0 H ALA A 42 -10.062 1.446 1.660 1.00 52.35 H new ATOM 0 HA ALA A 42 -10.396 2.405 4.249 1.00 4.43 H new ATOM 0 HB1 ALA A 42 -9.317 0.257 4.890 1.00 14.30 H new ATOM 0 HB2 ALA A 42 -10.508 0.032 3.587 1.00 14.30 H new ATOM 0 HB3 ALA A 42 -8.769 0.044 3.210 1.00 14.30 H new ATOM 661 N LEU A 43 -7.220 2.399 3.314 1.00 72.14 N ATOM 662 CA LEU A 43 -5.896 2.951 3.630 1.00 72.42 C ATOM 663 C LEU A 43 -5.902 4.489 3.585 1.00 65.24 C ATOM 664 O LEU A 43 -5.346 5.149 4.464 1.00 50.22 O ATOM 665 CB LEU A 43 -4.849 2.391 2.658 1.00 33.12 C ATOM 666 CG LEU A 43 -4.754 0.855 2.616 1.00 4.32 C ATOM 667 CD1 LEU A 43 -3.628 0.409 1.692 1.00 50.43 C ATOM 668 CD2 LEU A 43 -4.564 0.281 4.021 1.00 62.24 C ATOM 0 H LEU A 43 -7.247 1.835 2.464 1.00 72.14 H new ATOM 0 HA LEU A 43 -5.638 2.652 4.646 1.00 72.42 H new ATOM 0 HB2 LEU A 43 -5.076 2.753 1.655 1.00 33.12 H new ATOM 0 HB3 LEU A 43 -3.873 2.793 2.929 1.00 33.12 H new ATOM 0 HG LEU A 43 -5.693 0.469 2.219 1.00 4.32 H new ATOM 0 HD11 LEU A 43 -3.579 -0.680 1.677 1.00 50.43 H new ATOM 0 HD12 LEU A 43 -3.817 0.777 0.684 1.00 50.43 H new ATOM 0 HD13 LEU A 43 -2.681 0.810 2.053 1.00 50.43 H new ATOM 0 HD21 LEU A 43 -4.500 -0.806 3.964 1.00 62.24 H new ATOM 0 HD22 LEU A 43 -3.646 0.677 4.455 1.00 62.24 H new ATOM 0 HD23 LEU A 43 -5.411 0.562 4.647 1.00 62.24 H new ATOM 680 N GLY A 44 -6.547 5.053 2.563 1.00 2.40 N ATOM 681 CA GLY A 44 -6.676 6.506 2.468 1.00 20.42 C ATOM 682 C GLY A 44 -7.559 7.098 3.568 1.00 61.51 C ATOM 683 O GLY A 44 -7.454 8.283 3.896 1.00 11.30 O ATOM 0 H GLY A 44 -6.982 4.534 1.800 1.00 2.40 H new ATOM 0 HA2 GLY A 44 -5.686 6.958 2.521 1.00 20.42 H new ATOM 0 HA3 GLY A 44 -7.093 6.766 1.495 1.00 20.42 H new ATOM 687 N ASN A 45 -8.432 6.264 4.132 1.00 73.32 N ATOM 688 CA ASN A 45 -9.331 6.675 5.219 1.00 22.14 C ATOM 689 C ASN A 45 -8.600 6.686 6.575 1.00 34.44 C ATOM 690 O ASN A 45 -9.035 7.337 7.524 1.00 41.44 O ATOM 691 CB ASN A 45 -10.540 5.726 5.269 1.00 52.13 C ATOM 692 CG ASN A 45 -11.573 6.132 6.306 1.00 32.12 C ATOM 693 OD1 ASN A 45 -12.504 6.877 6.019 1.00 51.41 O ATOM 694 ND2 ASN A 45 -11.416 5.646 7.519 1.00 12.02 N ATOM 0 H ASN A 45 -8.539 5.289 3.853 1.00 73.32 H new ATOM 0 HA ASN A 45 -9.674 7.691 5.022 1.00 22.14 H new ATOM 0 HB2 ASN A 45 -11.012 5.696 4.287 1.00 52.13 H new ATOM 0 HB3 ASN A 45 -10.193 4.716 5.487 1.00 52.13 H new ATOM 0 HD21 ASN A 45 -12.080 5.887 8.255 1.00 12.02 H new ATOM 0 HD22 ASN A 45 -10.630 5.029 7.723 1.00 12.02 H new ATOM 701 N LEU A 46 -7.495 5.951 6.658 1.00 3.43 N ATOM 702 CA LEU A 46 -6.682 5.888 7.880 1.00 53.53 C ATOM 703 C LEU A 46 -5.836 7.162 8.074 1.00 35.54 C ATOM 704 O LEU A 46 -5.526 7.865 7.108 1.00 50.23 O ATOM 705 CB LEU A 46 -5.760 4.658 7.820 1.00 1.20 C ATOM 706 CG LEU A 46 -6.479 3.299 7.831 1.00 21.45 C ATOM 707 CD1 LEU A 46 -5.497 2.169 7.549 1.00 12.32 C ATOM 708 CD2 LEU A 46 -7.190 3.074 9.166 1.00 21.10 C ATOM 0 H LEU A 46 -7.135 5.385 5.890 1.00 3.43 H new ATOM 0 HA LEU A 46 -7.360 5.808 8.730 1.00 53.53 H new ATOM 0 HB2 LEU A 46 -5.153 4.723 6.917 1.00 1.20 H new ATOM 0 HB3 LEU A 46 -5.075 4.696 8.667 1.00 1.20 H new ATOM 0 HG LEU A 46 -7.230 3.305 7.041 1.00 21.45 H new ATOM 0 HD11 LEU A 46 -6.026 1.216 7.561 1.00 12.32 H new ATOM 0 HD12 LEU A 46 -5.041 2.319 6.570 1.00 12.32 H new ATOM 0 HD13 LEU A 46 -4.720 2.163 8.314 1.00 12.32 H new ATOM 0 HD21 LEU A 46 -7.692 2.107 9.152 1.00 21.10 H new ATOM 0 HD22 LEU A 46 -6.460 3.092 9.975 1.00 21.10 H new ATOM 0 HD23 LEU A 46 -7.926 3.863 9.324 1.00 21.10 H new ATOM 720 N PRO A 47 -5.452 7.481 9.332 1.00 3.03 N ATOM 721 CA PRO A 47 -4.538 8.605 9.621 1.00 64.22 C ATOM 722 C PRO A 47 -3.140 8.391 9.008 1.00 21.03 C ATOM 723 O PRO A 47 -2.785 7.278 8.609 1.00 21.41 O ATOM 724 CB PRO A 47 -4.467 8.629 11.159 1.00 13.30 C ATOM 725 CG PRO A 47 -4.876 7.259 11.585 1.00 42.24 C ATOM 726 CD PRO A 47 -5.884 6.795 10.566 1.00 1.30 C ATOM 0 HA PRO A 47 -4.892 9.542 9.191 1.00 64.22 H new ATOM 0 HB2 PRO A 47 -3.461 8.866 11.504 1.00 13.30 H new ATOM 0 HB3 PRO A 47 -5.132 9.386 11.573 1.00 13.30 H new ATOM 0 HG2 PRO A 47 -4.018 6.588 11.619 1.00 42.24 H new ATOM 0 HG3 PRO A 47 -5.309 7.274 12.585 1.00 42.24 H new ATOM 0 HD2 PRO A 47 -5.871 5.711 10.450 1.00 1.30 H new ATOM 0 HD3 PRO A 47 -6.900 7.073 10.848 1.00 1.30 H new ATOM 734 N GLU A 48 -2.343 9.454 8.936 1.00 74.15 N ATOM 735 CA GLU A 48 -1.033 9.389 8.278 1.00 43.30 C ATOM 736 C GLU A 48 -0.060 8.446 9.010 1.00 44.31 C ATOM 737 O GLU A 48 0.842 7.874 8.393 1.00 62.21 O ATOM 738 CB GLU A 48 -0.445 10.806 8.122 1.00 41.21 C ATOM 739 CG GLU A 48 0.009 11.478 9.420 1.00 14.44 C ATOM 740 CD GLU A 48 1.462 11.180 9.764 1.00 43.25 C ATOM 741 OE1 GLU A 48 2.346 11.497 8.937 1.00 21.15 O ATOM 742 OE2 GLU A 48 1.728 10.616 10.846 1.00 43.11 O ATOM 0 H GLU A 48 -2.576 10.369 9.322 1.00 74.15 H new ATOM 0 HA GLU A 48 -1.178 8.965 7.284 1.00 43.30 H new ATOM 0 HB2 GLU A 48 0.406 10.754 7.443 1.00 41.21 H new ATOM 0 HB3 GLU A 48 -1.193 11.441 7.647 1.00 41.21 H new ATOM 0 HG2 GLU A 48 -0.124 12.556 9.331 1.00 14.44 H new ATOM 0 HG3 GLU A 48 -0.629 11.144 10.238 1.00 14.44 H new ATOM 749 N GLY A 49 -0.260 8.268 10.316 1.00 71.31 N ATOM 750 CA GLY A 49 0.602 7.384 11.098 1.00 25.13 C ATOM 751 C GLY A 49 -0.174 6.411 11.984 1.00 53.33 C ATOM 752 O GLY A 49 -0.091 6.475 13.214 1.00 71.11 O ATOM 0 H GLY A 49 -1.003 8.719 10.849 1.00 71.31 H new ATOM 0 HA2 GLY A 49 1.240 6.817 10.420 1.00 25.13 H new ATOM 0 HA3 GLY A 49 1.259 7.989 11.723 1.00 25.13 H new ATOM 756 N SER A 50 -0.933 5.510 11.364 1.00 30.41 N ATOM 757 CA SER A 50 -1.700 4.495 12.106 1.00 72.42 C ATOM 758 C SER A 50 -0.813 3.319 12.546 1.00 11.13 C ATOM 759 O SER A 50 0.361 3.232 12.178 1.00 52.21 O ATOM 760 CB SER A 50 -2.857 3.967 11.244 1.00 31.14 C ATOM 761 OG SER A 50 -3.571 2.936 11.910 1.00 14.24 O ATOM 0 H SER A 50 -1.038 5.457 10.351 1.00 30.41 H new ATOM 0 HA SER A 50 -2.096 4.977 13.000 1.00 72.42 H new ATOM 0 HB2 SER A 50 -3.536 4.785 11.003 1.00 31.14 H new ATOM 0 HB3 SER A 50 -2.466 3.589 10.299 1.00 31.14 H new ATOM 0 HG SER A 50 -4.302 2.622 11.338 1.00 14.24 H new ATOM 767 N LYS A 51 -1.382 2.423 13.351 1.00 30.22 N ATOM 768 CA LYS A 51 -0.696 1.192 13.758 1.00 52.31 C ATOM 769 C LYS A 51 -0.511 0.250 12.560 1.00 45.04 C ATOM 770 O LYS A 51 0.432 -0.541 12.513 1.00 22.04 O ATOM 771 CB LYS A 51 -1.485 0.480 14.866 1.00 14.15 C ATOM 772 CG LYS A 51 -2.934 0.170 14.491 1.00 11.53 C ATOM 773 CD LYS A 51 -3.638 -0.665 15.558 1.00 1.00 C ATOM 774 CE LYS A 51 -3.623 0.010 16.925 1.00 14.04 C ATOM 775 NZ LYS A 51 -4.270 1.349 16.903 1.00 61.52 N ATOM 0 H LYS A 51 -2.321 2.525 13.737 1.00 30.22 H new ATOM 0 HA LYS A 51 0.287 1.464 14.142 1.00 52.31 H new ATOM 0 HB2 LYS A 51 -0.978 -0.451 15.119 1.00 14.15 H new ATOM 0 HB3 LYS A 51 -1.476 1.101 15.762 1.00 14.15 H new ATOM 0 HG2 LYS A 51 -3.478 1.103 14.345 1.00 11.53 H new ATOM 0 HG3 LYS A 51 -2.956 -0.364 13.541 1.00 11.53 H new ATOM 0 HD2 LYS A 51 -4.670 -0.843 15.255 1.00 1.00 H new ATOM 0 HD3 LYS A 51 -3.155 -1.639 15.631 1.00 1.00 H new ATOM 0 HE2 LYS A 51 -4.135 -0.626 17.647 1.00 14.04 H new ATOM 0 HE3 LYS A 51 -2.593 0.113 17.265 1.00 14.04 H new ATOM 0 HZ1 LYS A 51 -4.326 1.723 17.872 1.00 61.52 H new ATOM 0 HZ2 LYS A 51 -3.709 1.996 16.314 1.00 61.52 H new ATOM 0 HZ3 LYS A 51 -5.229 1.265 16.508 1.00 61.52 H new ATOM 789 N LEU A 52 -1.427 0.341 11.599 1.00 63.50 N ATOM 790 CA LEU A 52 -1.351 -0.451 10.366 1.00 61.13 C ATOM 791 C LEU A 52 -0.495 0.260 9.306 1.00 34.42 C ATOM 792 O LEU A 52 -0.762 1.414 8.958 1.00 34.25 O ATOM 793 CB LEU A 52 -2.763 -0.686 9.802 1.00 43.24 C ATOM 794 CG LEU A 52 -2.819 -1.383 8.426 1.00 33.41 C ATOM 795 CD1 LEU A 52 -2.429 -2.855 8.530 1.00 22.13 C ATOM 796 CD2 LEU A 52 -4.200 -1.230 7.801 1.00 22.13 C ATOM 0 H LEU A 52 -2.237 0.959 11.648 1.00 63.50 H new ATOM 0 HA LEU A 52 -0.887 -1.407 10.609 1.00 61.13 H new ATOM 0 HB2 LEU A 52 -3.326 -1.285 10.517 1.00 43.24 H new ATOM 0 HB3 LEU A 52 -3.269 0.276 9.724 1.00 43.24 H new ATOM 0 HG LEU A 52 -2.092 -0.895 7.776 1.00 33.41 H new ATOM 0 HD11 LEU A 52 -2.479 -3.315 7.543 1.00 22.13 H new ATOM 0 HD12 LEU A 52 -1.413 -2.936 8.917 1.00 22.13 H new ATOM 0 HD13 LEU A 52 -3.116 -3.367 9.204 1.00 22.13 H new ATOM 0 HD21 LEU A 52 -4.218 -1.728 6.832 1.00 22.13 H new ATOM 0 HD22 LEU A 52 -4.947 -1.680 8.455 1.00 22.13 H new ATOM 0 HD23 LEU A 52 -4.424 -0.172 7.669 1.00 22.13 H new ATOM 808 N PRO A 53 0.551 -0.405 8.770 1.00 5.32 N ATOM 809 CA PRO A 53 1.316 0.154 7.652 1.00 41.42 C ATOM 810 C PRO A 53 0.466 0.224 6.369 1.00 23.13 C ATOM 811 O PRO A 53 0.363 -0.741 5.615 1.00 15.42 O ATOM 812 CB PRO A 53 2.491 -0.825 7.493 1.00 52.51 C ATOM 813 CG PRO A 53 2.007 -2.105 8.094 1.00 33.14 C ATOM 814 CD PRO A 53 1.071 -1.714 9.211 1.00 44.42 C ATOM 0 HA PRO A 53 1.642 1.178 7.834 1.00 41.42 H new ATOM 0 HB2 PRO A 53 2.757 -0.956 6.444 1.00 52.51 H new ATOM 0 HB3 PRO A 53 3.382 -0.460 8.004 1.00 52.51 H new ATOM 0 HG2 PRO A 53 1.494 -2.715 7.351 1.00 33.14 H new ATOM 0 HG3 PRO A 53 2.840 -2.697 8.473 1.00 33.14 H new ATOM 0 HD2 PRO A 53 0.271 -2.443 9.340 1.00 44.42 H new ATOM 0 HD3 PRO A 53 1.592 -1.640 10.166 1.00 44.42 H new ATOM 822 N TRP A 54 -0.132 1.388 6.137 1.00 72.43 N ATOM 823 CA TRP A 54 -1.028 1.612 4.990 1.00 74.43 C ATOM 824 C TRP A 54 -0.241 1.935 3.707 1.00 64.51 C ATOM 825 O TRP A 54 -0.660 1.607 2.600 1.00 43.52 O ATOM 826 CB TRP A 54 -1.995 2.763 5.324 1.00 1.42 C ATOM 827 CG TRP A 54 -1.293 4.031 5.725 1.00 23.15 C ATOM 828 CD1 TRP A 54 -0.907 4.399 6.984 1.00 34.34 C ATOM 829 CD2 TRP A 54 -0.890 5.093 4.858 1.00 11.12 C ATOM 830 NE1 TRP A 54 -0.271 5.617 6.945 1.00 25.32 N ATOM 831 CE2 TRP A 54 -0.253 6.065 5.652 1.00 62.34 C ATOM 832 CE3 TRP A 54 -0.999 5.312 3.483 1.00 34.50 C ATOM 833 CZ2 TRP A 54 0.268 7.237 5.116 1.00 33.34 C ATOM 834 CZ3 TRP A 54 -0.486 6.476 2.956 1.00 22.22 C ATOM 835 CH2 TRP A 54 0.143 7.424 3.769 1.00 33.12 C ATOM 0 H TRP A 54 -0.014 2.207 6.734 1.00 72.43 H new ATOM 0 HA TRP A 54 -1.588 0.695 4.805 1.00 74.43 H new ATOM 0 HB2 TRP A 54 -2.625 2.963 4.457 1.00 1.42 H new ATOM 0 HB3 TRP A 54 -2.656 2.450 6.132 1.00 1.42 H new ATOM 0 HD1 TRP A 54 -1.077 3.818 7.878 1.00 34.34 H new ATOM 0 HE1 TRP A 54 0.123 6.107 7.748 1.00 25.32 H new ATOM 0 HE3 TRP A 54 -1.476 4.583 2.845 1.00 34.50 H new ATOM 0 HZ2 TRP A 54 0.753 7.972 5.741 1.00 33.34 H new ATOM 0 HZ3 TRP A 54 -0.571 6.660 1.895 1.00 22.22 H new ATOM 0 HH2 TRP A 54 0.539 8.324 3.322 1.00 33.12 H new ATOM 846 N PHE A 55 0.915 2.565 3.884 1.00 41.34 N ATOM 847 CA PHE A 55 1.753 3.033 2.768 1.00 23.51 C ATOM 848 C PHE A 55 2.363 1.884 1.938 1.00 2.03 C ATOM 849 O PHE A 55 2.896 2.114 0.852 1.00 63.14 O ATOM 850 CB PHE A 55 2.869 3.940 3.320 1.00 22.13 C ATOM 851 CG PHE A 55 3.516 3.402 4.579 1.00 32.35 C ATOM 852 CD1 PHE A 55 4.572 2.505 4.513 1.00 54.13 C ATOM 853 CD2 PHE A 55 3.054 3.793 5.832 1.00 12.33 C ATOM 854 CE1 PHE A 55 5.151 2.012 5.667 1.00 74.50 C ATOM 855 CE2 PHE A 55 3.633 3.301 6.986 1.00 3.41 C ATOM 856 CZ PHE A 55 4.682 2.410 6.903 1.00 32.23 C ATOM 0 H PHE A 55 1.305 2.770 4.804 1.00 41.34 H new ATOM 0 HA PHE A 55 1.107 3.589 2.089 1.00 23.51 H new ATOM 0 HB2 PHE A 55 3.634 4.069 2.554 1.00 22.13 H new ATOM 0 HB3 PHE A 55 2.455 4.927 3.527 1.00 22.13 H new ATOM 0 HD1 PHE A 55 4.945 2.189 3.550 1.00 54.13 H new ATOM 0 HD2 PHE A 55 2.232 4.490 5.903 1.00 12.33 H new ATOM 0 HE1 PHE A 55 5.972 1.314 5.602 1.00 74.50 H new ATOM 0 HE2 PHE A 55 3.264 3.614 7.952 1.00 3.41 H new ATOM 0 HZ PHE A 55 5.136 2.024 7.804 1.00 32.23 H new ATOM 866 N ARG A 56 2.272 0.653 2.441 1.00 42.41 N ATOM 867 CA ARG A 56 2.918 -0.502 1.793 1.00 64.14 C ATOM 868 C ARG A 56 2.046 -1.144 0.699 1.00 64.24 C ATOM 869 O ARG A 56 2.390 -2.202 0.174 1.00 24.11 O ATOM 870 CB ARG A 56 3.290 -1.560 2.846 1.00 31.32 C ATOM 871 CG ARG A 56 4.372 -1.103 3.820 1.00 24.21 C ATOM 872 CD ARG A 56 4.751 -2.202 4.807 1.00 22.44 C ATOM 873 NE ARG A 56 5.775 -1.761 5.748 1.00 2.15 N ATOM 874 CZ ARG A 56 5.943 -2.261 6.939 1.00 72.52 C ATOM 875 NH1 ARG A 56 5.202 -3.233 7.360 1.00 11.41 N ATOM 876 NH2 ARG A 56 6.867 -1.791 7.703 1.00 65.34 N ATOM 0 H ARG A 56 1.760 0.424 3.293 1.00 42.41 H new ATOM 0 HA ARG A 56 3.817 -0.124 1.306 1.00 64.14 H new ATOM 0 HB2 ARG A 56 2.396 -1.829 3.409 1.00 31.32 H new ATOM 0 HB3 ARG A 56 3.629 -2.462 2.337 1.00 31.32 H new ATOM 0 HG2 ARG A 56 5.256 -0.796 3.262 1.00 24.21 H new ATOM 0 HG3 ARG A 56 4.021 -0.228 4.368 1.00 24.21 H new ATOM 0 HD2 ARG A 56 3.864 -2.517 5.357 1.00 22.44 H new ATOM 0 HD3 ARG A 56 5.112 -3.072 4.259 1.00 22.44 H new ATOM 0 HE ARG A 56 6.401 -1.011 5.454 1.00 2.15 H new ATOM 0 HH11 ARG A 56 4.475 -3.618 6.757 1.00 11.41 H new ATOM 0 HH12 ARG A 56 5.345 -3.615 8.295 1.00 11.41 H new ATOM 0 HH21 ARG A 56 7.463 -1.031 7.375 1.00 65.34 H new ATOM 0 HH22 ARG A 56 7.003 -2.179 8.637 1.00 65.34 H new ATOM 890 N VAL A 57 0.926 -0.519 0.348 1.00 22.13 N ATOM 891 CA VAL A 57 0.058 -1.056 -0.708 1.00 1.21 C ATOM 892 C VAL A 57 -0.256 0.005 -1.780 1.00 13.44 C ATOM 893 O VAL A 57 -0.891 1.024 -1.498 1.00 64.24 O ATOM 894 CB VAL A 57 -1.270 -1.612 -0.130 1.00 23.33 C ATOM 895 CG1 VAL A 57 -2.060 -2.351 -1.206 1.00 61.00 C ATOM 896 CG2 VAL A 57 -1.010 -2.523 1.071 1.00 50.41 C ATOM 0 H VAL A 57 0.597 0.349 0.770 1.00 22.13 H new ATOM 0 HA VAL A 57 0.609 -1.874 -1.173 1.00 1.21 H new ATOM 0 HB VAL A 57 -1.866 -0.766 0.213 1.00 23.33 H new ATOM 0 HG11 VAL A 57 -2.987 -2.733 -0.779 1.00 61.00 H new ATOM 0 HG12 VAL A 57 -2.291 -1.667 -2.022 1.00 61.00 H new ATOM 0 HG13 VAL A 57 -1.467 -3.182 -1.586 1.00 61.00 H new ATOM 0 HG21 VAL A 57 -1.959 -2.898 1.455 1.00 50.41 H new ATOM 0 HG22 VAL A 57 -0.386 -3.362 0.763 1.00 50.41 H new ATOM 0 HG23 VAL A 57 -0.500 -1.959 1.852 1.00 50.41 H new ATOM 906 N ILE A 58 0.193 -0.242 -3.009 1.00 3.14 N ATOM 907 CA ILE A 58 -0.038 0.680 -4.130 1.00 1.54 C ATOM 908 C ILE A 58 -0.849 0.007 -5.252 1.00 11.30 C ATOM 909 O ILE A 58 -1.317 -1.123 -5.100 1.00 31.52 O ATOM 910 CB ILE A 58 1.298 1.215 -4.706 1.00 2.11 C ATOM 911 CG1 ILE A 58 2.193 0.057 -5.185 1.00 75.04 C ATOM 912 CG2 ILE A 58 2.024 2.073 -3.670 1.00 3.35 C ATOM 913 CD1 ILE A 58 3.520 0.509 -5.765 1.00 4.14 C ATOM 0 H ILE A 58 0.723 -1.077 -3.259 1.00 3.14 H new ATOM 0 HA ILE A 58 -0.612 1.519 -3.736 1.00 1.54 H new ATOM 0 HB ILE A 58 1.071 1.841 -5.569 1.00 2.11 H new ATOM 0 HG12 ILE A 58 2.383 -0.614 -4.347 1.00 75.04 H new ATOM 0 HG13 ILE A 58 1.655 -0.518 -5.938 1.00 75.04 H new ATOM 0 HG21 ILE A 58 2.960 2.440 -4.092 1.00 3.35 H new ATOM 0 HG22 ILE A 58 1.395 2.919 -3.393 1.00 3.35 H new ATOM 0 HG23 ILE A 58 2.236 1.473 -2.785 1.00 3.35 H new ATOM 0 HD11 ILE A 58 4.095 -0.362 -6.080 1.00 4.14 H new ATOM 0 HD12 ILE A 58 3.340 1.156 -6.624 1.00 4.14 H new ATOM 0 HD13 ILE A 58 4.080 1.059 -5.008 1.00 4.14 H new ATOM 925 N ASN A 59 -1.028 0.706 -6.374 1.00 74.41 N ATOM 926 CA ASN A 59 -1.816 0.169 -7.493 1.00 31.14 C ATOM 927 C ASN A 59 -0.976 -0.750 -8.398 1.00 14.35 C ATOM 928 O ASN A 59 0.252 -0.796 -8.296 1.00 44.52 O ATOM 929 CB ASN A 59 -2.441 1.309 -8.316 1.00 73.33 C ATOM 930 CG ASN A 59 -1.419 2.257 -8.930 1.00 3.14 C ATOM 931 OD1 ASN A 59 -0.296 1.877 -9.240 1.00 70.42 O ATOM 932 ND2 ASN A 59 -1.809 3.499 -9.128 1.00 41.13 N ATOM 0 H ASN A 59 -0.643 1.637 -6.535 1.00 74.41 H new ATOM 0 HA ASN A 59 -2.616 -0.434 -7.064 1.00 31.14 H new ATOM 0 HB2 ASN A 59 -3.048 0.879 -9.113 1.00 73.33 H new ATOM 0 HB3 ASN A 59 -3.114 1.880 -7.676 1.00 73.33 H new ATOM 0 HD21 ASN A 59 -1.170 4.173 -9.550 1.00 41.13 H new ATOM 0 HD22 ASN A 59 -2.750 3.787 -8.860 1.00 41.13 H new ATOM 939 N SER A 60 -1.649 -1.465 -9.298 1.00 14.33 N ATOM 940 CA SER A 60 -0.976 -2.403 -10.213 1.00 33.33 C ATOM 941 C SER A 60 -0.089 -1.672 -11.236 1.00 51.34 C ATOM 942 O SER A 60 0.682 -2.299 -11.964 1.00 11.31 O ATOM 943 CB SER A 60 -2.016 -3.264 -10.945 1.00 61.45 C ATOM 944 OG SER A 60 -1.404 -4.290 -11.714 1.00 11.24 O ATOM 0 H SER A 60 -2.661 -1.417 -9.418 1.00 14.33 H new ATOM 0 HA SER A 60 -0.330 -3.042 -9.610 1.00 33.33 H new ATOM 0 HB2 SER A 60 -2.695 -3.710 -10.218 1.00 61.45 H new ATOM 0 HB3 SER A 60 -2.618 -2.631 -11.597 1.00 61.45 H new ATOM 0 HG SER A 60 -0.543 -3.972 -12.057 1.00 11.24 H new ATOM 950 N GLN A 61 -0.199 -0.344 -11.281 1.00 73.50 N ATOM 951 CA GLN A 61 0.596 0.477 -12.203 1.00 62.03 C ATOM 952 C GLN A 61 1.948 0.873 -11.584 1.00 42.31 C ATOM 953 O GLN A 61 2.739 1.588 -12.207 1.00 61.45 O ATOM 954 CB GLN A 61 -0.180 1.749 -12.579 1.00 43.22 C ATOM 955 CG GLN A 61 -1.533 1.487 -13.230 1.00 2.41 C ATOM 956 CD GLN A 61 -2.253 2.770 -13.611 1.00 42.11 C ATOM 957 OE1 GLN A 61 -3.023 3.329 -12.834 1.00 42.44 O ATOM 958 NE2 GLN A 61 -2.001 3.255 -14.808 1.00 62.14 N ATOM 0 H GLN A 61 -0.833 0.191 -10.688 1.00 73.50 H new ATOM 0 HA GLN A 61 0.786 -0.120 -13.095 1.00 62.03 H new ATOM 0 HB2 GLN A 61 -0.332 2.347 -11.681 1.00 43.22 H new ATOM 0 HB3 GLN A 61 0.429 2.344 -13.260 1.00 43.22 H new ATOM 0 HG2 GLN A 61 -1.392 0.875 -14.121 1.00 2.41 H new ATOM 0 HG3 GLN A 61 -2.157 0.913 -12.545 1.00 2.41 H new ATOM 0 HE21 GLN A 61 -1.357 2.768 -15.430 1.00 62.14 H new ATOM 0 HE22 GLN A 61 -2.450 4.118 -15.113 1.00 62.14 H new ATOM 967 N GLY A 62 2.199 0.420 -10.356 1.00 41.20 N ATOM 968 CA GLY A 62 3.428 0.783 -9.657 1.00 10.31 C ATOM 969 C GLY A 62 3.477 2.262 -9.300 1.00 10.51 C ATOM 970 O GLY A 62 4.505 2.919 -9.459 1.00 23.24 O ATOM 0 H GLY A 62 1.575 -0.192 -9.831 1.00 41.20 H new ATOM 0 HA2 GLY A 62 3.514 0.189 -8.747 1.00 10.31 H new ATOM 0 HA3 GLY A 62 4.285 0.534 -10.282 1.00 10.31 H new ATOM 974 N LYS A 63 2.351 2.787 -8.825 1.00 73.22 N ATOM 975 CA LYS A 63 2.224 4.214 -8.506 1.00 74.01 C ATOM 976 C LYS A 63 1.398 4.431 -7.229 1.00 15.21 C ATOM 977 O LYS A 63 0.602 3.576 -6.832 1.00 53.22 O ATOM 978 CB LYS A 63 1.570 4.959 -9.681 1.00 64.43 C ATOM 979 CG LYS A 63 2.399 4.930 -10.964 1.00 35.23 C ATOM 980 CD LYS A 63 1.642 5.528 -12.148 1.00 34.04 C ATOM 981 CE LYS A 63 2.463 5.487 -13.434 1.00 10.24 C ATOM 982 NZ LYS A 63 2.851 4.099 -13.809 1.00 30.24 N ATOM 0 H LYS A 63 1.505 2.244 -8.650 1.00 73.22 H new ATOM 0 HA LYS A 63 3.225 4.610 -8.334 1.00 74.01 H new ATOM 0 HB2 LYS A 63 0.593 4.519 -9.880 1.00 64.43 H new ATOM 0 HB3 LYS A 63 1.399 5.996 -9.392 1.00 64.43 H new ATOM 0 HG2 LYS A 63 3.326 5.483 -10.810 1.00 35.23 H new ATOM 0 HG3 LYS A 63 2.676 3.901 -11.193 1.00 35.23 H new ATOM 0 HD2 LYS A 63 0.710 4.982 -12.296 1.00 34.04 H new ATOM 0 HD3 LYS A 63 1.374 6.560 -11.922 1.00 34.04 H new ATOM 0 HE2 LYS A 63 1.887 5.933 -14.245 1.00 10.24 H new ATOM 0 HE3 LYS A 63 3.361 6.092 -13.309 1.00 10.24 H new ATOM 0 HZ1 LYS A 63 3.878 3.982 -13.691 1.00 30.24 H new ATOM 0 HZ2 LYS A 63 2.353 3.422 -13.197 1.00 30.24 H new ATOM 0 HZ3 LYS A 63 2.594 3.923 -14.801 1.00 30.24 H new ATOM 996 N ILE A 64 1.595 5.580 -6.589 1.00 41.12 N ATOM 997 CA ILE A 64 0.830 5.942 -5.391 1.00 42.03 C ATOM 998 C ILE A 64 -0.617 6.326 -5.755 1.00 30.24 C ATOM 999 O ILE A 64 -0.845 7.163 -6.627 1.00 25.41 O ATOM 1000 CB ILE A 64 1.507 7.118 -4.631 1.00 54.45 C ATOM 1001 CG1 ILE A 64 2.917 6.711 -4.168 1.00 24.34 C ATOM 1002 CG2 ILE A 64 0.656 7.566 -3.441 1.00 20.51 C ATOM 1003 CD1 ILE A 64 3.659 7.796 -3.412 1.00 72.34 C ATOM 0 H ILE A 64 2.278 6.280 -6.878 1.00 41.12 H new ATOM 0 HA ILE A 64 0.810 5.068 -4.740 1.00 42.03 H new ATOM 0 HB ILE A 64 1.594 7.962 -5.315 1.00 54.45 H new ATOM 0 HG12 ILE A 64 2.838 5.829 -3.532 1.00 24.34 H new ATOM 0 HG13 ILE A 64 3.505 6.424 -5.040 1.00 24.34 H new ATOM 0 HG21 ILE A 64 1.153 8.389 -2.928 1.00 20.51 H new ATOM 0 HG22 ILE A 64 -0.320 7.896 -3.796 1.00 20.51 H new ATOM 0 HG23 ILE A 64 0.528 6.732 -2.751 1.00 20.51 H new ATOM 0 HD11 ILE A 64 4.643 7.429 -3.121 1.00 72.34 H new ATOM 0 HD12 ILE A 64 3.772 8.672 -4.051 1.00 72.34 H new ATOM 0 HD13 ILE A 64 3.095 8.068 -2.520 1.00 72.34 H new ATOM 1015 N SER A 65 -1.592 5.706 -5.086 1.00 0.44 N ATOM 1016 CA SER A 65 -3.014 5.976 -5.361 1.00 13.52 C ATOM 1017 C SER A 65 -3.445 7.336 -4.797 1.00 64.35 C ATOM 1018 O SER A 65 -4.340 7.994 -5.338 1.00 71.43 O ATOM 1019 CB SER A 65 -3.900 4.876 -4.762 1.00 53.00 C ATOM 1020 OG SER A 65 -3.923 4.948 -3.342 1.00 64.30 O ATOM 0 H SER A 65 -1.429 5.016 -4.353 1.00 0.44 H new ATOM 0 HA SER A 65 -3.136 5.992 -6.444 1.00 13.52 H new ATOM 0 HB2 SER A 65 -4.914 4.971 -5.150 1.00 53.00 H new ATOM 0 HB3 SER A 65 -3.531 3.899 -5.073 1.00 53.00 H new ATOM 0 HG SER A 65 -3.727 4.064 -2.966 1.00 64.30 H new ATOM 1026 N LEU A 66 -2.816 7.741 -3.697 1.00 42.24 N ATOM 1027 CA LEU A 66 -3.083 9.043 -3.080 1.00 51.31 C ATOM 1028 C LEU A 66 -2.443 10.181 -3.891 1.00 53.33 C ATOM 1029 O LEU A 66 -1.438 9.981 -4.576 1.00 31.24 O ATOM 1030 CB LEU A 66 -2.553 9.061 -1.642 1.00 40.42 C ATOM 1031 CG LEU A 66 -3.184 8.034 -0.685 1.00 42.33 C ATOM 1032 CD1 LEU A 66 -2.555 8.132 0.703 1.00 15.41 C ATOM 1033 CD2 LEU A 66 -4.698 8.227 -0.606 1.00 30.13 C ATOM 0 H LEU A 66 -2.113 7.185 -3.210 1.00 42.24 H new ATOM 0 HA LEU A 66 -4.162 9.199 -3.068 1.00 51.31 H new ATOM 0 HB2 LEU A 66 -1.477 8.891 -1.669 1.00 40.42 H new ATOM 0 HB3 LEU A 66 -2.708 10.058 -1.229 1.00 40.42 H new ATOM 0 HG LEU A 66 -2.988 7.037 -1.079 1.00 42.33 H new ATOM 0 HD11 LEU A 66 -3.015 7.398 1.364 1.00 15.41 H new ATOM 0 HD12 LEU A 66 -1.485 7.936 0.632 1.00 15.41 H new ATOM 0 HD13 LEU A 66 -2.715 9.132 1.105 1.00 15.41 H new ATOM 0 HD21 LEU A 66 -5.124 7.491 0.076 1.00 30.13 H new ATOM 0 HD22 LEU A 66 -4.918 9.230 -0.241 1.00 30.13 H new ATOM 0 HD23 LEU A 66 -5.133 8.098 -1.597 1.00 30.13 H new ATOM 1045 N LYS A 67 -3.028 11.373 -3.813 1.00 23.42 N ATOM 1046 CA LYS A 67 -2.550 12.521 -4.596 1.00 12.02 C ATOM 1047 C LYS A 67 -2.336 13.767 -3.719 1.00 3.24 C ATOM 1048 O LYS A 67 -2.703 13.786 -2.540 1.00 72.11 O ATOM 1049 CB LYS A 67 -3.541 12.830 -5.729 1.00 42.45 C ATOM 1050 CG LYS A 67 -3.848 11.622 -6.616 1.00 24.42 C ATOM 1051 CD LYS A 67 -4.668 11.997 -7.846 1.00 14.45 C ATOM 1052 CE LYS A 67 -3.881 12.898 -8.791 1.00 33.52 C ATOM 1053 NZ LYS A 67 -2.616 12.262 -9.252 1.00 44.44 N ATOM 0 H LYS A 67 -3.832 11.574 -3.219 1.00 23.42 H new ATOM 0 HA LYS A 67 -1.583 12.254 -5.021 1.00 12.02 H new ATOM 0 HB2 LYS A 67 -4.471 13.200 -5.297 1.00 42.45 H new ATOM 0 HB3 LYS A 67 -3.136 13.631 -6.347 1.00 42.45 H new ATOM 0 HG2 LYS A 67 -2.913 11.161 -6.933 1.00 24.42 H new ATOM 0 HG3 LYS A 67 -4.390 10.876 -6.035 1.00 24.42 H new ATOM 0 HD2 LYS A 67 -4.970 11.092 -8.373 1.00 14.45 H new ATOM 0 HD3 LYS A 67 -5.581 12.504 -7.535 1.00 14.45 H new ATOM 0 HE2 LYS A 67 -4.499 13.143 -9.655 1.00 33.52 H new ATOM 0 HE3 LYS A 67 -3.651 13.837 -8.287 1.00 33.52 H new ATOM 0 HZ1 LYS A 67 -2.253 12.773 -10.082 1.00 44.44 H new ATOM 0 HZ2 LYS A 67 -1.911 12.298 -8.488 1.00 44.44 H new ATOM 0 HZ3 LYS A 67 -2.799 11.271 -9.508 1.00 44.44 H new ATOM 1067 N GLY A 68 -1.736 14.805 -4.305 1.00 5.21 N ATOM 1068 CA GLY A 68 -1.454 16.037 -3.570 1.00 43.54 C ATOM 1069 C GLY A 68 -0.588 15.817 -2.329 1.00 64.54 C ATOM 1070 O GLY A 68 0.471 15.187 -2.404 1.00 63.44 O ATOM 0 H GLY A 68 -1.438 14.817 -5.280 1.00 5.21 H new ATOM 0 HA2 GLY A 68 -0.953 16.741 -4.234 1.00 43.54 H new ATOM 0 HA3 GLY A 68 -2.396 16.497 -3.270 1.00 43.54 H new ATOM 1074 N ARG A 69 -1.039 16.332 -1.182 1.00 44.11 N ATOM 1075 CA ARG A 69 -0.322 16.140 0.088 1.00 30.04 C ATOM 1076 C ARG A 69 -0.235 14.654 0.461 1.00 20.32 C ATOM 1077 O ARG A 69 0.791 14.186 0.954 1.00 40.11 O ATOM 1078 CB ARG A 69 -1.007 16.902 1.231 1.00 62.34 C ATOM 1079 CG ARG A 69 -0.985 18.420 1.084 1.00 22.31 C ATOM 1080 CD ARG A 69 -1.470 19.101 2.362 1.00 54.44 C ATOM 1081 NE ARG A 69 -0.656 18.720 3.519 1.00 22.11 N ATOM 1082 CZ ARG A 69 -1.139 18.319 4.666 1.00 73.13 C ATOM 1083 NH1 ARG A 69 -2.417 18.278 4.864 1.00 15.23 N ATOM 1084 NH2 ARG A 69 -0.338 17.966 5.617 1.00 74.22 N ATOM 0 H ARG A 69 -1.893 16.883 -1.103 1.00 44.11 H new ATOM 0 HA ARG A 69 0.685 16.532 -0.055 1.00 30.04 H new ATOM 0 HB2 ARG A 69 -2.043 16.572 1.301 1.00 62.34 H new ATOM 0 HB3 ARG A 69 -0.523 16.634 2.170 1.00 62.34 H new ATOM 0 HG2 ARG A 69 0.027 18.752 0.853 1.00 22.31 H new ATOM 0 HG3 ARG A 69 -1.617 18.717 0.247 1.00 22.31 H new ATOM 0 HD2 ARG A 69 -1.437 20.183 2.233 1.00 54.44 H new ATOM 0 HD3 ARG A 69 -2.511 18.834 2.545 1.00 54.44 H new ATOM 0 HE ARG A 69 0.358 18.771 3.423 1.00 22.11 H new ATOM 0 HH11 ARG A 69 -3.057 18.560 4.122 1.00 15.23 H new ATOM 0 HH12 ARG A 69 -2.784 17.964 5.762 1.00 15.23 H new ATOM 0 HH21 ARG A 69 0.671 18.000 5.473 1.00 74.22 H new ATOM 0 HH22 ARG A 69 -0.715 17.653 6.512 1.00 74.22 H new ATOM 1098 N ASP A 70 -1.318 13.916 0.216 1.00 51.42 N ATOM 1099 CA ASP A 70 -1.381 12.495 0.562 1.00 24.45 C ATOM 1100 C ASP A 70 -0.381 11.657 -0.255 1.00 53.21 C ATOM 1101 O ASP A 70 0.063 10.598 0.193 1.00 25.34 O ATOM 1102 CB ASP A 70 -2.807 11.970 0.384 1.00 62.15 C ATOM 1103 CG ASP A 70 -3.774 12.608 1.364 1.00 62.42 C ATOM 1104 OD1 ASP A 70 -3.813 12.170 2.535 1.00 24.40 O ATOM 1105 OD2 ASP A 70 -4.491 13.554 0.979 1.00 11.34 O ATOM 0 H ASP A 70 -2.165 14.279 -0.221 1.00 51.42 H new ATOM 0 HA ASP A 70 -1.097 12.396 1.610 1.00 24.45 H new ATOM 0 HB2 ASP A 70 -3.141 12.166 -0.635 1.00 62.15 H new ATOM 0 HB3 ASP A 70 -2.815 10.888 0.519 1.00 62.15 H new ATOM 1110 N LEU A 71 -0.018 12.139 -1.445 1.00 24.13 N ATOM 1111 CA LEU A 71 1.016 11.479 -2.252 1.00 43.14 C ATOM 1112 C LEU A 71 2.364 11.533 -1.519 1.00 22.01 C ATOM 1113 O LEU A 71 2.986 10.502 -1.262 1.00 0.32 O ATOM 1114 CB LEU A 71 1.115 12.141 -3.642 1.00 71.24 C ATOM 1115 CG LEU A 71 1.992 11.414 -4.692 1.00 34.20 C ATOM 1116 CD1 LEU A 71 1.630 11.877 -6.100 1.00 2.14 C ATOM 1117 CD2 LEU A 71 3.485 11.644 -4.437 1.00 64.23 C ATOM 0 H LEU A 71 -0.418 12.975 -1.870 1.00 24.13 H new ATOM 0 HA LEU A 71 0.744 10.433 -2.396 1.00 43.14 H new ATOM 0 HB2 LEU A 71 0.108 12.237 -4.047 1.00 71.24 H new ATOM 0 HB3 LEU A 71 1.504 13.151 -3.512 1.00 71.24 H new ATOM 0 HG LEU A 71 1.794 10.346 -4.601 1.00 34.20 H new ATOM 0 HD11 LEU A 71 2.255 11.357 -6.826 1.00 2.14 H new ATOM 0 HD12 LEU A 71 0.582 11.654 -6.298 1.00 2.14 H new ATOM 0 HD13 LEU A 71 1.794 12.951 -6.183 1.00 2.14 H new ATOM 0 HD21 LEU A 71 4.068 11.119 -5.193 1.00 64.23 H new ATOM 0 HD22 LEU A 71 3.703 12.711 -4.487 1.00 64.23 H new ATOM 0 HD23 LEU A 71 3.748 11.266 -3.449 1.00 64.23 H new ATOM 1129 N ASP A 72 2.802 12.744 -1.170 1.00 22.45 N ATOM 1130 CA ASP A 72 4.051 12.929 -0.423 1.00 2.43 C ATOM 1131 C ASP A 72 3.946 12.335 0.995 1.00 32.34 C ATOM 1132 O ASP A 72 4.944 11.942 1.591 1.00 32.33 O ATOM 1133 CB ASP A 72 4.416 14.414 -0.361 1.00 73.04 C ATOM 1134 CG ASP A 72 5.713 14.662 0.394 1.00 23.21 C ATOM 1135 OD1 ASP A 72 6.797 14.356 -0.151 1.00 63.14 O ATOM 1136 OD2 ASP A 72 5.654 15.173 1.532 1.00 40.40 O ATOM 0 H ASP A 72 2.312 13.611 -1.391 1.00 22.45 H new ATOM 0 HA ASP A 72 4.843 12.395 -0.948 1.00 2.43 H new ATOM 0 HB2 ASP A 72 4.508 14.805 -1.374 1.00 73.04 H new ATOM 0 HB3 ASP A 72 3.608 14.964 0.121 1.00 73.04 H new ATOM 1141 N ARG A 73 2.727 12.282 1.520 1.00 70.44 N ATOM 1142 CA ARG A 73 2.440 11.615 2.798 1.00 25.32 C ATOM 1143 C ARG A 73 2.873 10.134 2.755 1.00 21.33 C ATOM 1144 O ARG A 73 3.659 9.669 3.594 1.00 41.21 O ATOM 1145 CB ARG A 73 0.934 11.735 3.087 1.00 24.11 C ATOM 1146 CG ARG A 73 0.415 10.890 4.243 1.00 40.14 C ATOM 1147 CD ARG A 73 -1.115 10.918 4.298 1.00 72.41 C ATOM 1148 NE ARG A 73 -1.669 9.839 5.113 1.00 25.40 N ATOM 1149 CZ ARG A 73 -2.944 9.555 5.186 1.00 13.43 C ATOM 1150 NH1 ARG A 73 -3.818 10.254 4.531 1.00 41.21 N ATOM 1151 NH2 ARG A 73 -3.342 8.562 5.910 1.00 2.53 N ATOM 0 H ARG A 73 1.907 12.697 1.078 1.00 70.44 H new ATOM 0 HA ARG A 73 3.006 12.096 3.596 1.00 25.32 H new ATOM 0 HB2 ARG A 73 0.704 12.780 3.293 1.00 24.11 H new ATOM 0 HB3 ARG A 73 0.386 11.460 2.185 1.00 24.11 H new ATOM 0 HG2 ARG A 73 0.760 9.862 4.131 1.00 40.14 H new ATOM 0 HG3 ARG A 73 0.823 11.262 5.183 1.00 40.14 H new ATOM 0 HD2 ARG A 73 -1.443 11.877 4.700 1.00 72.41 H new ATOM 0 HD3 ARG A 73 -1.512 10.844 3.286 1.00 72.41 H new ATOM 0 HE ARG A 73 -1.021 9.272 5.659 1.00 25.40 H new ATOM 0 HH11 ARG A 73 -3.514 11.036 3.950 1.00 41.21 H new ATOM 0 HH12 ARG A 73 -4.809 10.022 4.596 1.00 41.21 H new ATOM 0 HH21 ARG A 73 -2.663 8.001 6.424 1.00 2.53 H new ATOM 0 HH22 ARG A 73 -4.336 8.339 5.968 1.00 2.53 H new ATOM 1165 N GLN A 74 2.368 9.398 1.767 1.00 50.51 N ATOM 1166 CA GLN A 74 2.759 7.996 1.576 1.00 74.05 C ATOM 1167 C GLN A 74 4.248 7.896 1.211 1.00 60.14 C ATOM 1168 O GLN A 74 4.970 7.037 1.715 1.00 65.30 O ATOM 1169 CB GLN A 74 1.901 7.342 0.481 1.00 34.23 C ATOM 1170 CG GLN A 74 2.057 5.824 0.405 1.00 42.55 C ATOM 1171 CD GLN A 74 1.104 5.165 -0.581 1.00 53.03 C ATOM 1172 OE1 GLN A 74 0.024 5.673 -0.859 1.00 34.34 O ATOM 1173 NE2 GLN A 74 1.479 4.008 -1.091 1.00 63.43 N ATOM 0 H GLN A 74 1.690 9.744 1.088 1.00 50.51 H new ATOM 0 HA GLN A 74 2.594 7.465 2.513 1.00 74.05 H new ATOM 0 HB2 GLN A 74 0.853 7.582 0.661 1.00 34.23 H new ATOM 0 HB3 GLN A 74 2.167 7.775 -0.484 1.00 34.23 H new ATOM 0 HG2 GLN A 74 3.082 5.586 0.122 1.00 42.55 H new ATOM 0 HG3 GLN A 74 1.893 5.400 1.396 1.00 42.55 H new ATOM 0 HE21 GLN A 74 2.384 3.610 -0.841 1.00 63.43 H new ATOM 0 HE22 GLN A 74 0.864 3.511 -1.736 1.00 63.43 H new ATOM 1182 N LYS A 75 4.690 8.800 0.341 1.00 13.31 N ATOM 1183 CA LYS A 75 6.091 8.875 -0.088 1.00 3.24 C ATOM 1184 C LYS A 75 7.064 8.999 1.103 1.00 61.40 C ATOM 1185 O LYS A 75 7.974 8.187 1.244 1.00 22.02 O ATOM 1186 CB LYS A 75 6.254 10.059 -1.053 1.00 41.10 C ATOM 1187 CG LYS A 75 7.696 10.462 -1.342 1.00 35.22 C ATOM 1188 CD LYS A 75 7.760 11.608 -2.352 1.00 71.11 C ATOM 1189 CE LYS A 75 9.069 12.377 -2.259 1.00 20.40 C ATOM 1190 NZ LYS A 75 9.221 13.040 -0.935 1.00 3.23 N ATOM 0 H LYS A 75 4.090 9.504 -0.089 1.00 13.31 H new ATOM 0 HA LYS A 75 6.345 7.944 -0.595 1.00 3.24 H new ATOM 0 HB2 LYS A 75 5.767 9.810 -1.996 1.00 41.10 H new ATOM 0 HB3 LYS A 75 5.728 10.920 -0.640 1.00 41.10 H new ATOM 0 HG2 LYS A 75 8.184 10.763 -0.415 1.00 35.22 H new ATOM 0 HG3 LYS A 75 8.246 9.603 -1.728 1.00 35.22 H new ATOM 0 HD2 LYS A 75 7.644 11.210 -3.360 1.00 71.11 H new ATOM 0 HD3 LYS A 75 6.926 12.289 -2.181 1.00 71.11 H new ATOM 0 HE2 LYS A 75 9.904 11.696 -2.424 1.00 20.40 H new ATOM 0 HE3 LYS A 75 9.108 13.127 -3.049 1.00 20.40 H new ATOM 0 HZ1 LYS A 75 9.932 13.796 -1.005 1.00 3.23 H new ATOM 0 HZ2 LYS A 75 8.309 13.448 -0.644 1.00 3.23 H new ATOM 0 HZ3 LYS A 75 9.528 12.340 -0.230 1.00 3.23 H new ATOM 1204 N GLN A 76 6.864 10.003 1.963 1.00 13.05 N ATOM 1205 CA GLN A 76 7.750 10.219 3.120 1.00 5.43 C ATOM 1206 C GLN A 76 7.783 8.990 4.041 1.00 30.44 C ATOM 1207 O GLN A 76 8.827 8.646 4.603 1.00 3.25 O ATOM 1208 CB GLN A 76 7.329 11.469 3.914 1.00 61.35 C ATOM 1209 CG GLN A 76 5.942 11.383 4.549 1.00 35.31 C ATOM 1210 CD GLN A 76 5.580 12.611 5.375 1.00 5.31 C ATOM 1211 OE1 GLN A 76 4.415 12.989 5.475 1.00 45.22 O ATOM 1212 NE2 GLN A 76 6.565 13.233 5.992 1.00 21.44 N ATOM 0 H GLN A 76 6.102 10.677 1.884 1.00 13.05 H new ATOM 0 HA GLN A 76 8.756 10.378 2.731 1.00 5.43 H new ATOM 0 HB2 GLN A 76 8.063 11.648 4.699 1.00 61.35 H new ATOM 0 HB3 GLN A 76 7.357 12.332 3.249 1.00 61.35 H new ATOM 0 HG2 GLN A 76 5.198 11.250 3.764 1.00 35.31 H new ATOM 0 HG3 GLN A 76 5.895 10.499 5.185 1.00 35.31 H new ATOM 0 HE21 GLN A 76 7.523 12.897 5.891 1.00 21.44 H new ATOM 0 HE22 GLN A 76 6.369 14.050 6.570 1.00 21.44 H new ATOM 1221 N LYS A 77 6.635 8.329 4.191 1.00 42.23 N ATOM 1222 CA LYS A 77 6.567 7.079 4.954 1.00 23.45 C ATOM 1223 C LYS A 77 7.400 5.971 4.284 1.00 22.04 C ATOM 1224 O LYS A 77 8.124 5.232 4.952 1.00 54.15 O ATOM 1225 CB LYS A 77 5.106 6.637 5.106 1.00 14.25 C ATOM 1226 CG LYS A 77 4.282 7.532 6.032 1.00 25.34 C ATOM 1227 CD LYS A 77 4.752 7.423 7.482 1.00 50.11 C ATOM 1228 CE LYS A 77 3.970 8.346 8.411 1.00 14.22 C ATOM 1229 NZ LYS A 77 4.236 9.780 8.130 1.00 64.44 N ATOM 0 H LYS A 77 5.745 8.634 3.798 1.00 42.23 H new ATOM 0 HA LYS A 77 6.989 7.258 5.943 1.00 23.45 H new ATOM 0 HB2 LYS A 77 4.638 6.620 4.122 1.00 14.25 H new ATOM 0 HB3 LYS A 77 5.083 5.616 5.488 1.00 14.25 H new ATOM 0 HG2 LYS A 77 4.358 8.568 5.701 1.00 25.34 H new ATOM 0 HG3 LYS A 77 3.230 7.253 5.968 1.00 25.34 H new ATOM 0 HD2 LYS A 77 4.644 6.393 7.821 1.00 50.11 H new ATOM 0 HD3 LYS A 77 5.813 7.668 7.538 1.00 50.11 H new ATOM 0 HE2 LYS A 77 2.903 8.148 8.304 1.00 14.22 H new ATOM 0 HE3 LYS A 77 4.233 8.125 9.446 1.00 14.22 H new ATOM 0 HZ1 LYS A 77 3.737 10.369 8.827 1.00 64.44 H new ATOM 0 HZ2 LYS A 77 5.258 9.962 8.191 1.00 64.44 H new ATOM 0 HZ3 LYS A 77 3.899 10.015 7.175 1.00 64.44 H new ATOM 1243 N LEU A 78 7.307 5.876 2.957 1.00 62.43 N ATOM 1244 CA LEU A 78 8.076 4.887 2.189 1.00 33.11 C ATOM 1245 C LEU A 78 9.580 5.210 2.194 1.00 73.55 C ATOM 1246 O LEU A 78 10.422 4.309 2.155 1.00 73.02 O ATOM 1247 CB LEU A 78 7.550 4.816 0.750 1.00 55.42 C ATOM 1248 CG LEU A 78 6.103 4.316 0.614 1.00 41.03 C ATOM 1249 CD1 LEU A 78 5.628 4.417 -0.831 1.00 64.11 C ATOM 1250 CD2 LEU A 78 5.982 2.883 1.127 1.00 43.32 C ATOM 0 H LEU A 78 6.706 6.472 2.388 1.00 62.43 H new ATOM 0 HA LEU A 78 7.947 3.916 2.667 1.00 33.11 H new ATOM 0 HB2 LEU A 78 7.620 5.808 0.304 1.00 55.42 H new ATOM 0 HB3 LEU A 78 8.201 4.160 0.172 1.00 55.42 H new ATOM 0 HG LEU A 78 5.462 4.953 1.223 1.00 41.03 H new ATOM 0 HD11 LEU A 78 4.601 4.058 -0.903 1.00 64.11 H new ATOM 0 HD12 LEU A 78 5.672 5.456 -1.157 1.00 64.11 H new ATOM 0 HD13 LEU A 78 6.270 3.809 -1.468 1.00 64.11 H new ATOM 0 HD21 LEU A 78 4.951 2.545 1.023 1.00 43.32 H new ATOM 0 HD22 LEU A 78 6.637 2.233 0.547 1.00 43.32 H new ATOM 0 HD23 LEU A 78 6.272 2.847 2.177 1.00 43.32 H new ATOM 1262 N GLU A 79 9.916 6.496 2.246 1.00 71.21 N ATOM 1263 CA GLU A 79 11.313 6.926 2.363 1.00 72.11 C ATOM 1264 C GLU A 79 11.899 6.493 3.719 1.00 52.32 C ATOM 1265 O GLU A 79 13.094 6.216 3.832 1.00 43.11 O ATOM 1266 CB GLU A 79 11.424 8.450 2.185 1.00 31.41 C ATOM 1267 CG GLU A 79 11.009 8.936 0.796 1.00 44.33 C ATOM 1268 CD GLU A 79 11.123 10.447 0.630 1.00 53.41 C ATOM 1269 OE1 GLU A 79 12.198 10.929 0.217 1.00 12.33 O ATOM 1270 OE2 GLU A 79 10.137 11.163 0.903 1.00 4.54 O ATOM 0 H GLU A 79 9.243 7.261 2.209 1.00 71.21 H new ATOM 0 HA GLU A 79 11.890 6.446 1.572 1.00 72.11 H new ATOM 0 HB2 GLU A 79 10.802 8.941 2.933 1.00 31.41 H new ATOM 0 HB3 GLU A 79 12.453 8.756 2.375 1.00 31.41 H new ATOM 0 HG2 GLU A 79 11.631 8.447 0.046 1.00 44.33 H new ATOM 0 HG3 GLU A 79 9.980 8.632 0.604 1.00 44.33 H new ATOM 1277 N ALA A 80 11.041 6.420 4.740 1.00 74.01 N ATOM 1278 CA ALA A 80 11.433 5.895 6.056 1.00 64.42 C ATOM 1279 C ALA A 80 11.552 4.359 6.028 1.00 52.12 C ATOM 1280 O ALA A 80 12.057 3.738 6.966 1.00 40.44 O ATOM 1281 CB ALA A 80 10.429 6.333 7.117 1.00 12.14 C ATOM 0 H ALA A 80 10.067 6.718 4.683 1.00 74.01 H new ATOM 0 HA ALA A 80 12.412 6.302 6.307 1.00 64.42 H new ATOM 0 HB1 ALA A 80 10.730 5.938 8.087 1.00 12.14 H new ATOM 0 HB2 ALA A 80 10.399 7.422 7.162 1.00 12.14 H new ATOM 0 HB3 ALA A 80 9.440 5.953 6.861 1.00 12.14 H new ATOM 1287 N GLU A 81 11.059 3.756 4.946 1.00 12.14 N ATOM 1288 CA GLU A 81 11.169 2.306 4.723 1.00 50.15 C ATOM 1289 C GLU A 81 12.353 1.975 3.795 1.00 62.33 C ATOM 1290 O GLU A 81 12.738 0.813 3.648 1.00 44.11 O ATOM 1291 CB GLU A 81 9.866 1.773 4.104 1.00 34.43 C ATOM 1292 CG GLU A 81 8.631 1.989 4.973 1.00 54.14 C ATOM 1293 CD GLU A 81 8.523 0.996 6.118 1.00 62.32 C ATOM 1294 OE1 GLU A 81 8.067 -0.138 5.878 1.00 1.42 O ATOM 1295 OE2 GLU A 81 8.895 1.340 7.262 1.00 51.04 O ATOM 0 H GLU A 81 10.573 4.253 4.199 1.00 12.14 H new ATOM 0 HA GLU A 81 11.342 1.827 5.687 1.00 50.15 H new ATOM 0 HB2 GLU A 81 9.709 2.258 3.141 1.00 34.43 H new ATOM 0 HB3 GLU A 81 9.978 0.706 3.909 1.00 34.43 H new ATOM 0 HG2 GLU A 81 8.653 3.000 5.379 1.00 54.14 H new ATOM 0 HG3 GLU A 81 7.739 1.914 4.351 1.00 54.14 H new ATOM 1302 N GLY A 82 12.922 3.007 3.169 1.00 12.15 N ATOM 1303 CA GLY A 82 14.034 2.817 2.237 1.00 65.13 C ATOM 1304 C GLY A 82 13.581 2.382 0.844 1.00 30.22 C ATOM 1305 O GLY A 82 14.081 1.396 0.293 1.00 74.20 O ATOM 0 H GLY A 82 12.633 3.978 3.290 1.00 12.15 H new ATOM 0 HA2 GLY A 82 14.595 3.748 2.156 1.00 65.13 H new ATOM 0 HA3 GLY A 82 14.715 2.068 2.641 1.00 65.13 H new ATOM 1309 N ILE A 83 12.619 3.109 0.281 1.00 30.22 N ATOM 1310 CA ILE A 83 12.094 2.814 -1.060 1.00 70.42 C ATOM 1311 C ILE A 83 12.301 4.002 -2.013 1.00 15.22 C ATOM 1312 O ILE A 83 11.964 5.140 -1.680 1.00 54.21 O ATOM 1313 CB ILE A 83 10.583 2.464 -0.995 1.00 31.32 C ATOM 1314 CG1 ILE A 83 10.367 1.215 -0.120 1.00 41.31 C ATOM 1315 CG2 ILE A 83 10.007 2.253 -2.398 1.00 64.22 C ATOM 1316 CD1 ILE A 83 8.915 0.818 0.041 1.00 23.22 C ATOM 0 H ILE A 83 12.182 3.913 0.732 1.00 30.22 H new ATOM 0 HA ILE A 83 12.646 1.956 -1.443 1.00 70.42 H new ATOM 0 HB ILE A 83 10.053 3.302 -0.543 1.00 31.32 H new ATOM 0 HG12 ILE A 83 10.915 0.380 -0.556 1.00 41.31 H new ATOM 0 HG13 ILE A 83 10.795 1.397 0.866 1.00 41.31 H new ATOM 0 HG21 ILE A 83 8.947 2.009 -2.323 1.00 64.22 H new ATOM 0 HG22 ILE A 83 10.129 3.165 -2.982 1.00 64.22 H new ATOM 0 HG23 ILE A 83 10.534 1.435 -2.888 1.00 64.22 H new ATOM 0 HD11 ILE A 83 8.848 -0.070 0.670 1.00 23.22 H new ATOM 0 HD12 ILE A 83 8.364 1.635 0.506 1.00 23.22 H new ATOM 0 HD13 ILE A 83 8.486 0.602 -0.938 1.00 23.22 H new ATOM 1328 N GLU A 84 12.868 3.742 -3.190 1.00 73.01 N ATOM 1329 CA GLU A 84 13.090 4.799 -4.182 1.00 60.41 C ATOM 1330 C GLU A 84 11.785 5.190 -4.886 1.00 64.13 C ATOM 1331 O GLU A 84 11.395 4.593 -5.891 1.00 13.44 O ATOM 1332 CB GLU A 84 14.134 4.361 -5.215 1.00 3.31 C ATOM 1333 CG GLU A 84 15.487 4.029 -4.606 1.00 20.12 C ATOM 1334 CD GLU A 84 16.101 5.198 -3.855 1.00 60.11 C ATOM 1335 OE1 GLU A 84 16.536 6.171 -4.508 1.00 74.00 O ATOM 1336 OE2 GLU A 84 16.150 5.149 -2.608 1.00 3.12 O ATOM 0 H GLU A 84 13.181 2.816 -3.481 1.00 73.01 H new ATOM 0 HA GLU A 84 13.464 5.674 -3.650 1.00 60.41 H new ATOM 0 HB2 GLU A 84 13.761 3.487 -5.749 1.00 3.31 H new ATOM 0 HB3 GLU A 84 14.261 5.155 -5.951 1.00 3.31 H new ATOM 0 HG2 GLU A 84 15.376 3.185 -3.926 1.00 20.12 H new ATOM 0 HG3 GLU A 84 16.168 3.714 -5.397 1.00 20.12 H new ATOM 1343 N VAL A 85 11.110 6.185 -4.330 1.00 35.31 N ATOM 1344 CA VAL A 85 9.871 6.713 -4.909 1.00 5.53 C ATOM 1345 C VAL A 85 10.154 7.959 -5.762 1.00 34.32 C ATOM 1346 O VAL A 85 10.695 8.953 -5.267 1.00 0.34 O ATOM 1347 CB VAL A 85 8.843 7.077 -3.805 1.00 61.35 C ATOM 1348 CG1 VAL A 85 7.519 7.530 -4.421 1.00 13.21 C ATOM 1349 CG2 VAL A 85 8.628 5.901 -2.851 1.00 73.04 C ATOM 0 H VAL A 85 11.399 6.651 -3.470 1.00 35.31 H new ATOM 0 HA VAL A 85 9.451 5.929 -5.539 1.00 5.53 H new ATOM 0 HB VAL A 85 9.248 7.909 -3.228 1.00 61.35 H new ATOM 0 HG11 VAL A 85 6.815 7.780 -3.627 1.00 13.21 H new ATOM 0 HG12 VAL A 85 7.689 8.408 -5.044 1.00 13.21 H new ATOM 0 HG13 VAL A 85 7.108 6.726 -5.031 1.00 13.21 H new ATOM 0 HG21 VAL A 85 7.903 6.181 -2.086 1.00 73.04 H new ATOM 0 HG22 VAL A 85 8.253 5.043 -3.409 1.00 73.04 H new ATOM 0 HG23 VAL A 85 9.574 5.640 -2.376 1.00 73.04 H new ATOM 1359 N SER A 86 9.799 7.906 -7.043 1.00 71.10 N ATOM 1360 CA SER A 86 10.017 9.045 -7.941 1.00 34.34 C ATOM 1361 C SER A 86 9.029 10.174 -7.631 1.00 64.01 C ATOM 1362 O SER A 86 7.902 9.918 -7.191 1.00 4.31 O ATOM 1363 CB SER A 86 9.876 8.637 -9.412 1.00 31.10 C ATOM 1364 OG SER A 86 8.525 8.699 -9.835 1.00 1.41 O ATOM 0 H SER A 86 9.363 7.096 -7.483 1.00 71.10 H new ATOM 0 HA SER A 86 11.035 9.397 -7.774 1.00 34.34 H new ATOM 0 HB2 SER A 86 10.485 9.293 -10.034 1.00 31.10 H new ATOM 0 HB3 SER A 86 10.256 7.625 -9.549 1.00 31.10 H new ATOM 0 HG SER A 86 8.482 8.592 -10.808 1.00 1.41 H new ATOM 1370 N GLU A 87 9.460 11.407 -7.909 1.00 41.31 N ATOM 1371 CA GLU A 87 8.727 12.638 -7.559 1.00 11.12 C ATOM 1372 C GLU A 87 7.205 12.573 -7.811 1.00 4.02 C ATOM 1373 O GLU A 87 6.418 12.994 -6.964 1.00 51.55 O ATOM 1374 CB GLU A 87 9.333 13.814 -8.337 1.00 33.43 C ATOM 1375 CG GLU A 87 9.384 13.590 -9.847 1.00 44.23 C ATOM 1376 CD GLU A 87 10.070 14.721 -10.590 1.00 5.25 C ATOM 1377 OE1 GLU A 87 9.420 15.758 -10.837 1.00 53.11 O ATOM 1378 OE2 GLU A 87 11.265 14.579 -10.933 1.00 0.31 O ATOM 0 H GLU A 87 10.341 11.587 -8.391 1.00 41.31 H new ATOM 0 HA GLU A 87 8.838 12.769 -6.483 1.00 11.12 H new ATOM 0 HB2 GLU A 87 8.751 14.713 -8.131 1.00 33.43 H new ATOM 0 HB3 GLU A 87 10.343 13.998 -7.972 1.00 33.43 H new ATOM 0 HG2 GLU A 87 9.908 12.657 -10.053 1.00 44.23 H new ATOM 0 HG3 GLU A 87 8.369 13.476 -10.227 1.00 44.23 H new ATOM 1385 N ILE A 88 6.787 12.048 -8.965 1.00 61.34 N ATOM 1386 CA ILE A 88 5.359 12.024 -9.326 1.00 14.42 C ATOM 1387 C ILE A 88 4.602 10.857 -8.659 1.00 60.05 C ATOM 1388 O ILE A 88 3.438 10.598 -8.973 1.00 10.50 O ATOM 1389 CB ILE A 88 5.164 11.994 -10.874 1.00 34.14 C ATOM 1390 CG1 ILE A 88 5.884 10.791 -11.530 1.00 23.41 C ATOM 1391 CG2 ILE A 88 5.653 13.305 -11.491 1.00 40.21 C ATOM 1392 CD1 ILE A 88 5.102 9.491 -11.498 1.00 14.23 C ATOM 0 H ILE A 88 7.407 11.636 -9.663 1.00 61.34 H new ATOM 0 HA ILE A 88 4.928 12.949 -8.943 1.00 14.42 H new ATOM 0 HB ILE A 88 4.098 11.878 -11.067 1.00 34.14 H new ATOM 0 HG12 ILE A 88 6.107 11.040 -12.568 1.00 23.41 H new ATOM 0 HG13 ILE A 88 6.839 10.638 -11.027 1.00 23.41 H new ATOM 0 HG21 ILE A 88 5.512 13.273 -12.571 1.00 40.21 H new ATOM 0 HG22 ILE A 88 5.085 14.137 -11.075 1.00 40.21 H new ATOM 0 HG23 ILE A 88 6.711 13.440 -11.267 1.00 40.21 H new ATOM 0 HD11 ILE A 88 5.683 8.705 -11.979 1.00 14.23 H new ATOM 0 HD12 ILE A 88 4.902 9.212 -10.463 1.00 14.23 H new ATOM 0 HD13 ILE A 88 4.158 9.621 -12.028 1.00 14.23 H new ATOM 1404 N GLY A 89 5.263 10.175 -7.725 1.00 54.42 N ATOM 1405 CA GLY A 89 4.648 9.056 -7.014 1.00 13.23 C ATOM 1406 C GLY A 89 4.771 7.723 -7.748 1.00 34.44 C ATOM 1407 O GLY A 89 3.801 6.966 -7.837 1.00 51.53 O ATOM 0 H GLY A 89 6.222 10.377 -7.444 1.00 54.42 H new ATOM 0 HA2 GLY A 89 5.109 8.964 -6.031 1.00 13.23 H new ATOM 0 HA3 GLY A 89 3.593 9.276 -6.852 1.00 13.23 H new ATOM 1411 N LYS A 90 5.968 7.422 -8.258 1.00 22.45 N ATOM 1412 CA LYS A 90 6.191 6.176 -9.022 1.00 64.34 C ATOM 1413 C LYS A 90 7.159 5.228 -8.284 1.00 23.05 C ATOM 1414 O LYS A 90 8.218 5.644 -7.812 1.00 15.21 O ATOM 1415 CB LYS A 90 6.711 6.526 -10.433 1.00 63.41 C ATOM 1416 CG LYS A 90 6.810 5.361 -11.421 1.00 74.41 C ATOM 1417 CD LYS A 90 8.072 4.524 -11.222 1.00 72.45 C ATOM 1418 CE LYS A 90 8.304 3.569 -12.386 1.00 32.23 C ATOM 1419 NZ LYS A 90 8.623 4.298 -13.644 1.00 64.02 N ATOM 0 H LYS A 90 6.794 8.012 -8.161 1.00 22.45 H new ATOM 0 HA LYS A 90 5.243 5.646 -9.117 1.00 64.34 H new ATOM 0 HB2 LYS A 90 6.057 7.285 -10.862 1.00 63.41 H new ATOM 0 HB3 LYS A 90 7.699 6.976 -10.333 1.00 63.41 H new ATOM 0 HG2 LYS A 90 5.934 4.722 -11.311 1.00 74.41 H new ATOM 0 HG3 LYS A 90 6.794 5.751 -12.439 1.00 74.41 H new ATOM 0 HD2 LYS A 90 8.933 5.184 -11.115 1.00 72.45 H new ATOM 0 HD3 LYS A 90 7.989 3.955 -10.296 1.00 72.45 H new ATOM 0 HE2 LYS A 90 9.121 2.890 -12.142 1.00 32.23 H new ATOM 0 HE3 LYS A 90 7.415 2.956 -12.536 1.00 32.23 H new ATOM 0 HZ1 LYS A 90 9.081 3.649 -14.315 1.00 64.02 H new ATOM 0 HZ2 LYS A 90 7.746 4.667 -14.063 1.00 64.02 H new ATOM 0 HZ3 LYS A 90 9.266 5.088 -13.434 1.00 64.02 H new ATOM 1433 N ILE A 91 6.779 3.950 -8.196 1.00 64.55 N ATOM 1434 CA ILE A 91 7.572 2.930 -7.492 1.00 44.25 C ATOM 1435 C ILE A 91 7.844 1.706 -8.393 1.00 41.43 C ATOM 1436 O ILE A 91 6.962 1.244 -9.116 1.00 43.42 O ATOM 1437 CB ILE A 91 6.839 2.453 -6.209 1.00 31.12 C ATOM 1438 CG1 ILE A 91 6.501 3.649 -5.302 1.00 30.54 C ATOM 1439 CG2 ILE A 91 7.679 1.425 -5.452 1.00 63.13 C ATOM 1440 CD1 ILE A 91 5.720 3.275 -4.058 1.00 21.32 C ATOM 0 H ILE A 91 5.917 3.591 -8.608 1.00 64.55 H new ATOM 0 HA ILE A 91 8.522 3.393 -7.224 1.00 44.25 H new ATOM 0 HB ILE A 91 5.907 1.974 -6.509 1.00 31.12 H new ATOM 0 HG12 ILE A 91 7.428 4.139 -5.004 1.00 30.54 H new ATOM 0 HG13 ILE A 91 5.926 4.376 -5.875 1.00 30.54 H new ATOM 0 HG21 ILE A 91 7.144 1.106 -4.557 1.00 63.13 H new ATOM 0 HG22 ILE A 91 7.862 0.562 -6.092 1.00 63.13 H new ATOM 0 HG23 ILE A 91 8.631 1.873 -5.166 1.00 63.13 H new ATOM 0 HD11 ILE A 91 5.520 4.171 -3.471 1.00 21.32 H new ATOM 0 HD12 ILE A 91 4.776 2.812 -4.346 1.00 21.32 H new ATOM 0 HD13 ILE A 91 6.301 2.572 -3.461 1.00 21.32 H new ATOM 1452 N ALA A 92 9.065 1.176 -8.337 1.00 71.04 N ATOM 1453 CA ALA A 92 9.435 0.005 -9.144 1.00 52.52 C ATOM 1454 C ALA A 92 8.940 -1.308 -8.509 1.00 12.44 C ATOM 1455 O ALA A 92 9.613 -1.894 -7.658 1.00 41.22 O ATOM 1456 CB ALA A 92 10.949 -0.034 -9.346 1.00 1.21 C ATOM 0 H ALA A 92 9.815 1.534 -7.745 1.00 71.04 H new ATOM 0 HA ALA A 92 8.946 0.100 -10.114 1.00 52.52 H new ATOM 0 HB1 ALA A 92 11.214 -0.905 -9.945 1.00 1.21 H new ATOM 0 HB2 ALA A 92 11.271 0.872 -9.860 1.00 1.21 H new ATOM 0 HB3 ALA A 92 11.444 -0.096 -8.377 1.00 1.21 H new ATOM 1462 N LEU A 93 7.759 -1.764 -8.930 1.00 43.42 N ATOM 1463 CA LEU A 93 7.169 -3.007 -8.412 1.00 44.20 C ATOM 1464 C LEU A 93 8.130 -4.199 -8.538 1.00 74.25 C ATOM 1465 O LEU A 93 8.407 -4.887 -7.556 1.00 54.40 O ATOM 1466 CB LEU A 93 5.852 -3.329 -9.140 1.00 40.02 C ATOM 1467 CG LEU A 93 4.636 -2.492 -8.714 1.00 33.02 C ATOM 1468 CD1 LEU A 93 3.403 -2.875 -9.532 1.00 24.01 C ATOM 1469 CD2 LEU A 93 4.367 -2.668 -7.220 1.00 75.11 C ATOM 0 H LEU A 93 7.188 -1.292 -9.631 1.00 43.42 H new ATOM 0 HA LEU A 93 6.969 -2.844 -7.353 1.00 44.20 H new ATOM 0 HB2 LEU A 93 6.007 -3.193 -10.210 1.00 40.02 H new ATOM 0 HB3 LEU A 93 5.619 -4.382 -8.983 1.00 40.02 H new ATOM 0 HG LEU A 93 4.857 -1.442 -8.905 1.00 33.02 H new ATOM 0 HD11 LEU A 93 2.553 -2.270 -9.214 1.00 24.01 H new ATOM 0 HD12 LEU A 93 3.599 -2.698 -10.590 1.00 24.01 H new ATOM 0 HD13 LEU A 93 3.176 -3.930 -9.376 1.00 24.01 H new ATOM 0 HD21 LEU A 93 3.503 -2.069 -6.933 1.00 75.11 H new ATOM 0 HD22 LEU A 93 4.167 -3.718 -7.007 1.00 75.11 H new ATOM 0 HD23 LEU A 93 5.239 -2.342 -6.652 1.00 75.11 H new ATOM 1481 N ARG A 94 8.654 -4.417 -9.743 1.00 3.22 N ATOM 1482 CA ARG A 94 9.492 -5.594 -10.042 1.00 52.14 C ATOM 1483 C ARG A 94 10.673 -5.769 -9.060 1.00 73.40 C ATOM 1484 O ARG A 94 11.309 -6.825 -9.024 1.00 24.34 O ATOM 1485 CB ARG A 94 10.012 -5.511 -11.485 1.00 25.15 C ATOM 1486 CG ARG A 94 8.913 -5.634 -12.537 1.00 32.24 C ATOM 1487 CD ARG A 94 9.449 -5.426 -13.949 1.00 62.41 C ATOM 1488 NE ARG A 94 10.531 -6.352 -14.279 1.00 53.12 N ATOM 1489 CZ ARG A 94 11.207 -6.315 -15.396 1.00 55.04 C ATOM 1490 NH1 ARG A 94 10.892 -5.473 -16.329 1.00 45.01 N ATOM 1491 NH2 ARG A 94 12.183 -7.142 -15.590 1.00 52.15 N ATOM 0 H ARG A 94 8.516 -3.793 -10.538 1.00 3.22 H new ATOM 0 HA ARG A 94 8.857 -6.472 -9.921 1.00 52.14 H new ATOM 0 HB2 ARG A 94 10.530 -4.562 -11.622 1.00 25.15 H new ATOM 0 HB3 ARG A 94 10.746 -6.301 -11.644 1.00 25.15 H new ATOM 0 HG2 ARG A 94 8.451 -6.619 -12.466 1.00 32.24 H new ATOM 0 HG3 ARG A 94 8.133 -4.901 -12.334 1.00 32.24 H new ATOM 0 HD2 ARG A 94 8.637 -5.552 -14.665 1.00 62.41 H new ATOM 0 HD3 ARG A 94 9.808 -4.402 -14.051 1.00 62.41 H new ATOM 0 HE ARG A 94 10.773 -7.070 -13.596 1.00 53.12 H new ATOM 0 HH11 ARG A 94 10.110 -4.832 -16.195 1.00 45.01 H new ATOM 0 HH12 ARG A 94 11.426 -5.451 -17.198 1.00 45.01 H new ATOM 0 HH21 ARG A 94 12.425 -7.823 -14.870 1.00 52.15 H new ATOM 0 HH22 ARG A 94 12.711 -7.113 -16.462 1.00 52.15 H new ATOM 1505 N LYS A 95 10.974 -4.736 -8.275 1.00 51.05 N ATOM 1506 CA LYS A 95 12.006 -4.836 -7.238 1.00 64.44 C ATOM 1507 C LYS A 95 11.412 -4.738 -5.818 1.00 74.40 C ATOM 1508 O LYS A 95 11.897 -5.385 -4.887 1.00 11.14 O ATOM 1509 CB LYS A 95 13.074 -3.751 -7.443 1.00 4.42 C ATOM 1510 CG LYS A 95 14.203 -3.814 -6.418 1.00 35.33 C ATOM 1511 CD LYS A 95 15.358 -2.883 -6.767 1.00 54.40 C ATOM 1512 CE LYS A 95 16.502 -3.022 -5.768 1.00 22.21 C ATOM 1513 NZ LYS A 95 16.973 -4.429 -5.653 1.00 60.11 N ATOM 0 H LYS A 95 10.522 -3.824 -8.335 1.00 51.05 H new ATOM 0 HA LYS A 95 12.468 -5.819 -7.332 1.00 64.44 H new ATOM 0 HB2 LYS A 95 13.495 -3.850 -8.444 1.00 4.42 H new ATOM 0 HB3 LYS A 95 12.600 -2.771 -7.392 1.00 4.42 H new ATOM 0 HG2 LYS A 95 13.812 -3.551 -5.435 1.00 35.33 H new ATOM 0 HG3 LYS A 95 14.572 -4.837 -6.351 1.00 35.33 H new ATOM 0 HD2 LYS A 95 15.719 -3.108 -7.770 1.00 54.40 H new ATOM 0 HD3 LYS A 95 15.006 -1.852 -6.779 1.00 54.40 H new ATOM 0 HE2 LYS A 95 17.332 -2.386 -6.076 1.00 22.21 H new ATOM 0 HE3 LYS A 95 16.175 -2.668 -4.790 1.00 22.21 H new ATOM 0 HZ1 LYS A 95 17.911 -4.446 -5.203 1.00 60.11 H new ATOM 0 HZ2 LYS A 95 16.302 -4.974 -5.074 1.00 60.11 H new ATOM 0 HZ3 LYS A 95 17.036 -4.853 -6.601 1.00 60.11 H new ATOM 1527 N TYR A 96 10.354 -3.945 -5.654 1.00 63.12 N ATOM 1528 CA TYR A 96 9.798 -3.659 -4.321 1.00 63.03 C ATOM 1529 C TYR A 96 8.562 -4.505 -3.969 1.00 0.50 C ATOM 1530 O TYR A 96 8.010 -4.354 -2.880 1.00 23.45 O ATOM 1531 CB TYR A 96 9.442 -2.170 -4.210 1.00 45.35 C ATOM 1532 CG TYR A 96 10.649 -1.257 -4.200 1.00 13.02 C ATOM 1533 CD1 TYR A 96 11.498 -1.222 -3.101 1.00 33.52 C ATOM 1534 CD2 TYR A 96 10.933 -0.426 -5.277 1.00 11.43 C ATOM 1535 CE1 TYR A 96 12.596 -0.389 -3.079 1.00 23.02 C ATOM 1536 CE2 TYR A 96 12.031 0.409 -5.262 1.00 12.35 C ATOM 1537 CZ TYR A 96 12.857 0.425 -4.159 1.00 41.42 C ATOM 1538 OH TYR A 96 13.948 1.259 -4.134 1.00 34.35 O ATOM 0 H TYR A 96 9.862 -3.488 -6.422 1.00 63.12 H new ATOM 0 HA TYR A 96 10.576 -3.926 -3.606 1.00 63.03 H new ATOM 0 HB2 TYR A 96 8.797 -1.896 -5.045 1.00 45.35 H new ATOM 0 HB3 TYR A 96 8.868 -2.009 -3.297 1.00 45.35 H new ATOM 0 HD1 TYR A 96 11.295 -1.857 -2.251 1.00 33.52 H new ATOM 0 HD2 TYR A 96 10.284 -0.434 -6.140 1.00 11.43 H new ATOM 0 HE1 TYR A 96 13.249 -0.375 -2.219 1.00 23.02 H new ATOM 0 HE2 TYR A 96 12.242 1.046 -6.109 1.00 12.35 H new ATOM 0 HH TYR A 96 14.279 1.392 -5.047 1.00 34.35 H new ATOM 1548 N LYS A 97 8.128 -5.391 -4.867 1.00 42.42 N ATOM 1549 CA LYS A 97 6.935 -6.211 -4.600 1.00 32.22 C ATOM 1550 C LYS A 97 7.073 -7.034 -3.313 1.00 53.35 C ATOM 1551 O LYS A 97 8.129 -7.611 -3.032 1.00 42.30 O ATOM 1552 CB LYS A 97 6.608 -7.159 -5.764 1.00 4.41 C ATOM 1553 CG LYS A 97 5.949 -6.481 -6.962 1.00 33.11 C ATOM 1554 CD LYS A 97 5.231 -7.488 -7.854 1.00 13.54 C ATOM 1555 CE LYS A 97 4.013 -8.081 -7.147 1.00 4.34 C ATOM 1556 NZ LYS A 97 3.378 -9.170 -7.929 1.00 74.34 N ATOM 0 H LYS A 97 8.571 -5.561 -5.770 1.00 42.42 H new ATOM 0 HA LYS A 97 6.117 -5.501 -4.481 1.00 32.22 H new ATOM 0 HB2 LYS A 97 7.529 -7.640 -6.095 1.00 4.41 H new ATOM 0 HB3 LYS A 97 5.949 -7.948 -5.400 1.00 4.41 H new ATOM 0 HG2 LYS A 97 5.238 -5.733 -6.611 1.00 33.11 H new ATOM 0 HG3 LYS A 97 6.705 -5.954 -7.543 1.00 33.11 H new ATOM 0 HD2 LYS A 97 4.918 -7.001 -8.778 1.00 13.54 H new ATOM 0 HD3 LYS A 97 5.918 -8.287 -8.132 1.00 13.54 H new ATOM 0 HE2 LYS A 97 4.314 -8.465 -6.172 1.00 4.34 H new ATOM 0 HE3 LYS A 97 3.282 -7.293 -6.967 1.00 4.34 H new ATOM 0 HZ1 LYS A 97 2.547 -9.527 -7.415 1.00 74.34 H new ATOM 0 HZ2 LYS A 97 3.081 -8.804 -8.856 1.00 74.34 H new ATOM 0 HZ3 LYS A 97 4.060 -9.943 -8.065 1.00 74.34 H new ATOM 1570 N TRP A 98 5.991 -7.084 -2.542 1.00 41.12 N ATOM 1571 CA TRP A 98 5.934 -7.897 -1.330 1.00 43.12 C ATOM 1572 C TRP A 98 6.033 -9.393 -1.658 1.00 55.14 C ATOM 1573 O TRP A 98 5.087 -9.999 -2.159 1.00 51.30 O ATOM 1574 CB TRP A 98 4.640 -7.607 -0.556 1.00 33.22 C ATOM 1575 CG TRP A 98 4.368 -8.575 0.564 1.00 52.11 C ATOM 1576 CD1 TRP A 98 5.271 -9.086 1.455 1.00 60.50 C ATOM 1577 CD2 TRP A 98 3.103 -9.149 0.906 1.00 50.41 C ATOM 1578 NE1 TRP A 98 4.641 -9.937 2.328 1.00 12.52 N ATOM 1579 CE2 TRP A 98 3.311 -9.991 2.013 1.00 13.53 C ATOM 1580 CE3 TRP A 98 1.813 -9.028 0.385 1.00 14.54 C ATOM 1581 CZ2 TRP A 98 2.280 -10.710 2.604 1.00 24.15 C ATOM 1582 CZ3 TRP A 98 0.787 -9.741 0.973 1.00 32.12 C ATOM 1583 CH2 TRP A 98 1.027 -10.575 2.076 1.00 21.14 C ATOM 0 H TRP A 98 5.134 -6.566 -2.737 1.00 41.12 H new ATOM 0 HA TRP A 98 6.788 -7.632 -0.707 1.00 43.12 H new ATOM 0 HB2 TRP A 98 4.692 -6.598 -0.146 1.00 33.22 H new ATOM 0 HB3 TRP A 98 3.801 -7.626 -1.251 1.00 33.22 H new ATOM 0 HD1 TRP A 98 6.326 -8.854 1.469 1.00 60.50 H new ATOM 0 HE1 TRP A 98 5.091 -10.446 3.088 1.00 12.52 H new ATOM 0 HE3 TRP A 98 1.621 -8.388 -0.463 1.00 14.54 H new ATOM 0 HZ2 TRP A 98 2.462 -11.354 3.452 1.00 24.15 H new ATOM 0 HZ3 TRP A 98 -0.215 -9.656 0.578 1.00 32.12 H new ATOM 0 HH2 TRP A 98 0.205 -11.121 2.516 1.00 21.14 H new ATOM 1594 N GLN A 99 7.195 -9.975 -1.386 1.00 54.44 N ATOM 1595 CA GLN A 99 7.398 -11.415 -1.547 1.00 61.23 C ATOM 1596 C GLN A 99 7.592 -12.092 -0.179 1.00 22.53 C ATOM 1597 O GLN A 99 8.683 -12.051 0.391 1.00 25.23 O ATOM 1598 CB GLN A 99 8.613 -11.686 -2.447 1.00 22.45 C ATOM 1599 CG GLN A 99 8.522 -11.016 -3.816 1.00 3.34 C ATOM 1600 CD GLN A 99 9.692 -11.355 -4.726 1.00 74.40 C ATOM 1601 OE1 GLN A 99 10.799 -11.620 -4.268 1.00 25.24 O ATOM 1602 NE2 GLN A 99 9.463 -11.343 -6.025 1.00 35.42 N ATOM 0 H GLN A 99 8.016 -9.471 -1.051 1.00 54.44 H new ATOM 0 HA GLN A 99 6.510 -11.835 -2.019 1.00 61.23 H new ATOM 0 HB2 GLN A 99 9.514 -11.339 -1.941 1.00 22.45 H new ATOM 0 HB3 GLN A 99 8.720 -12.762 -2.585 1.00 22.45 H new ATOM 0 HG2 GLN A 99 7.593 -11.318 -4.300 1.00 3.34 H new ATOM 0 HG3 GLN A 99 8.475 -9.935 -3.682 1.00 3.34 H new ATOM 0 HE21 GLN A 99 8.532 -11.119 -6.377 1.00 35.42 H new ATOM 0 HE22 GLN A 99 10.217 -11.558 -6.678 1.00 35.42 H new ATOM 1611 N PRO A 100 6.533 -12.719 0.377 1.00 2.43 N ATOM 1612 CA PRO A 100 6.610 -13.439 1.674 1.00 41.32 C ATOM 1613 C PRO A 100 7.454 -14.735 1.614 1.00 32.23 C ATOM 1614 O PRO A 100 7.192 -15.697 2.336 1.00 62.13 O ATOM 1615 CB PRO A 100 5.136 -13.764 1.973 1.00 71.25 C ATOM 1616 CG PRO A 100 4.482 -13.809 0.632 1.00 32.20 C ATOM 1617 CD PRO A 100 5.169 -12.755 -0.191 1.00 30.13 C ATOM 0 HA PRO A 100 7.104 -12.839 2.438 1.00 41.32 H new ATOM 0 HB2 PRO A 100 5.038 -14.716 2.494 1.00 71.25 H new ATOM 0 HB3 PRO A 100 4.683 -13.004 2.610 1.00 71.25 H new ATOM 0 HG2 PRO A 100 4.590 -14.793 0.177 1.00 32.20 H new ATOM 0 HG3 PRO A 100 3.413 -13.610 0.711 1.00 32.20 H new ATOM 0 HD2 PRO A 100 5.180 -13.015 -1.250 1.00 30.13 H new ATOM 0 HD3 PRO A 100 4.671 -11.789 -0.105 1.00 30.13 H new ATOM 1625 N LEU A 101 8.482 -14.739 0.767 1.00 32.01 N ATOM 1626 CA LEU A 101 9.368 -15.896 0.601 1.00 20.41 C ATOM 1627 C LEU A 101 10.716 -15.668 1.312 1.00 24.32 C ATOM 1628 O LEU A 101 11.589 -16.538 1.310 1.00 0.14 O ATOM 1629 CB LEU A 101 9.600 -16.148 -0.898 1.00 75.24 C ATOM 1630 CG LEU A 101 8.322 -16.300 -1.745 1.00 12.34 C ATOM 1631 CD1 LEU A 101 8.662 -16.431 -3.229 1.00 24.33 C ATOM 1632 CD2 LEU A 101 7.493 -17.495 -1.276 1.00 21.34 C ATOM 0 H LEU A 101 8.726 -13.944 0.177 1.00 32.01 H new ATOM 0 HA LEU A 101 8.893 -16.767 1.052 1.00 20.41 H new ATOM 0 HB2 LEU A 101 10.188 -15.324 -1.302 1.00 75.24 H new ATOM 0 HB3 LEU A 101 10.200 -17.051 -1.009 1.00 75.24 H new ATOM 0 HG LEU A 101 7.725 -15.398 -1.611 1.00 12.34 H new ATOM 0 HD11 LEU A 101 7.743 -16.537 -3.805 1.00 24.33 H new ATOM 0 HD12 LEU A 101 9.197 -15.541 -3.560 1.00 24.33 H new ATOM 0 HD13 LEU A 101 9.289 -17.309 -3.382 1.00 24.33 H new ATOM 0 HD21 LEU A 101 6.597 -17.580 -1.890 1.00 21.34 H new ATOM 0 HD22 LEU A 101 8.084 -18.406 -1.368 1.00 21.34 H new ATOM 0 HD23 LEU A 101 7.206 -17.353 -0.234 1.00 21.34 H new ATOM 1644 N GLU A 102 10.877 -14.487 1.912 1.00 12.43 N ATOM 1645 CA GLU A 102 12.119 -14.122 2.616 1.00 74.13 C ATOM 1646 C GLU A 102 11.994 -14.306 4.151 1.00 63.11 C ATOM 1647 O GLU A 102 11.627 -13.342 4.862 1.00 37.57 O ATOM 1648 CB GLU A 102 12.526 -12.677 2.247 1.00 4.24 C ATOM 1649 CG GLU A 102 11.388 -11.655 2.326 1.00 65.31 C ATOM 1650 CD GLU A 102 11.795 -10.274 1.827 1.00 43.10 C ATOM 1651 OE1 GLU A 102 12.145 -10.148 0.634 1.00 74.33 O ATOM 1652 OE2 GLU A 102 11.780 -9.307 2.619 1.00 2.22 O ATOM 0 H GLU A 102 10.162 -13.760 1.927 1.00 12.43 H new ATOM 0 HA GLU A 102 12.907 -14.801 2.290 1.00 74.13 H new ATOM 0 HB2 GLU A 102 13.329 -12.359 2.911 1.00 4.24 H new ATOM 0 HB3 GLU A 102 12.930 -12.674 1.235 1.00 4.24 H new ATOM 0 HG2 GLU A 102 10.543 -12.014 1.738 1.00 65.31 H new ATOM 0 HG3 GLU A 102 11.048 -11.577 3.359 1.00 65.31 H new TER 1659 GLU A 102