USER MOD reduce.3.24.130724 H: found=0, std=0, add=1043, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1046 hydrogens (13 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 NoAdj-H: B 204 PTR HN2 : B 204 PTR N : B 203 GLU C :(H bumps) USER MOD NoAdj-H: B 204 PTR H : B 204 PTR N : B 203 GLU C :(H bumps) USER MOD Set 1.1: A 78 GLN : amide:sc= -0.671 X(o=-4.3,f=-3.9) USER MOD Set 1.2: A 111 GLN : amide:sc= -3.59! X(o=-4.3!,f=-4) USER MOD Set 2.1: A 79 SER OG : rot 109:sc= 0.923 USER MOD Set 2.2: A 80 THR OG1 : rot 95:sc= 1.26 USER MOD Set 3.1: A 69 THR OG1 : rot 103:sc= 1.16 USER MOD Set 3.2: A 70 GLN : amide:sc= 0.186 K(o=1.3,f=-8.2!) USER MOD Set 4.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 105 SER OG : rot -76:sc= 0.686 USER MOD Set 5.1: A 38 THR OG1 : rot 180:sc= 0.185 USER MOD Set 5.2: A 40 GLN :FLIP amide:sc= -1.63 F(o=-3.8,f=-1.4) USER MOD Set 6.1: A 24 THR OG1 : rot -80:sc= 0.0497 USER MOD Set 6.2: A 34 ASN : amide:sc= -0.012 X(o=-0.6,f=-0.98!) USER MOD Set 6.3: A 37 THR OG1 : rot -103:sc= -0.633 USER MOD Set 7.1: A 9 HIS : no HD1:sc= -4.32! C(o=-6.1!,f=-12!) USER MOD Set 7.2: A 13 SER OG : rot -141:sc= -1.82 USER MOD Set 8.1: A 2 ASN : amide:sc= -7.6! C(o=-8.6!,f=-9.4!) USER MOD Set 8.2: A 62 HIS :FLIP no HD1:sc= -1.03 F(o=-10,f=-8.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= -0.0416 (180deg=-0.239) USER MOD Single : A 4 SER OG : rot -84:sc= -0.618! USER MOD Single : A 6 SER OG : rot -70:sc= -2.16 USER MOD Single : A 11 GLN : amide:sc= -7.76! C(o=-7.8!,f=-8.8!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 18 GLN : amide:sc= -2.06 X(o=-2.1,f=-1.7) USER MOD Single : A 20 SER OG : rot -46:sc= -6.03! USER MOD Single : A 23 CYS SG : rot 120:sc= -2.96 USER MOD Single : A 26 LYS NZ :NH3+ -164:sc= -2.83 (180deg=-3.31) USER MOD Single : A 30 ASN :FLIP amide:sc= -2.5! C(o=-4!,f=-2.5!) USER MOD Single : A 35 LYS NZ :NH3+ -177:sc= 0.241 (180deg=0.236) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.681 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.21) USER MOD Single : A 58 THR OG1 : rot -48:sc= -0.768! USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= 0.16 F(o=-3.1,f=0.16) USER MOD Single : A 73 THR OG1 : rot 77:sc= 0.676 USER MOD Single : A 75 LYS NZ :NH3+ 171:sc= -0.689 (180deg=-0.776) USER MOD Single : A 82 LYS NZ :NH3+ -115:sc= 0.113 (180deg=-0.401) USER MOD Single : A 83 HIS : no HD1:sc= -0.337 X(o=-0.34,f=-0.65) USER MOD Single : A 84 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.3) USER MOD Single : A 86 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 87 ASN : amide:sc= -0.542 K(o=-0.54,f=-8.8!) USER MOD Single : A 88 TYR OH : rot 28:sc= -0.498 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= -6.28! C(o=-6.3!,f=-6.8!) USER MOD Single : A 98 SER OG : rot 85:sc= -0.334 USER MOD Single : A 102 SER OG : rot -173:sc= -2.32! USER MOD Single : A 107 GLN :FLIP amide:sc= -18.2! C(o=-22!,f=-18!) USER MOD Single : A 108 MET CE :methyl -151:sc= -8.3! (180deg=-14.5!) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.0306 USER MOD Single : A 114 LYS NZ :NH3+ -145:sc= -5.49! (180deg=-14.2!) USER MOD Single : A 123 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.8) USER MOD Single : A 125 SER OG : rot -110:sc= -1.22 USER MOD Single : A 130 SER OG : rot 48:sc= -0.283 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.274 6.117 -11.917 1.00 0.00 N ATOM 2 CA MET A 1 -0.908 6.453 -11.434 1.00 0.00 C ATOM 3 C MET A 1 -0.957 7.142 -10.073 1.00 0.00 C ATOM 4 O MET A 1 -0.065 7.917 -9.729 1.00 0.00 O ATOM 5 CB MET A 1 -0.237 7.363 -12.468 1.00 0.00 C ATOM 6 CG MET A 1 0.999 6.750 -13.105 1.00 0.00 C ATOM 7 SD MET A 1 0.674 5.138 -13.846 1.00 0.00 S ATOM 8 CE MET A 1 0.531 5.582 -15.576 1.00 0.00 C ATOM 0 H1 MET A 1 -2.227 5.823 -12.914 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.663 5.340 -11.345 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.888 6.952 -11.830 1.00 0.00 H new ATOM 0 HA MET A 1 -0.334 5.535 -11.313 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.957 7.604 -13.250 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.039 8.302 -11.989 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.382 7.426 -13.869 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.779 6.648 -12.350 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.329 4.688 -16.166 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.286 6.292 -15.703 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.463 6.036 -15.913 1.00 0.00 H new ATOM 20 N ASN A 2 -2.008 6.849 -9.306 1.00 0.00 N ATOM 21 CA ASN A 2 -2.198 7.429 -7.974 1.00 0.00 C ATOM 22 C ASN A 2 -1.841 8.919 -7.945 1.00 0.00 C ATOM 23 O ASN A 2 -2.696 9.770 -8.189 1.00 0.00 O ATOM 24 CB ASN A 2 -1.390 6.660 -6.916 1.00 0.00 C ATOM 25 CG ASN A 2 -0.105 6.064 -7.459 1.00 0.00 C ATOM 26 OD1 ASN A 2 -0.128 5.215 -8.350 1.00 0.00 O ATOM 27 ND2 ASN A 2 1.024 6.503 -6.918 1.00 0.00 N ATOM 0 H ASN A 2 -2.748 6.207 -9.588 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.257 7.338 -7.733 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.151 7.332 -6.092 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.008 5.861 -6.506 1.00 0.00 H new ATOM 0 HD21 ASN A 2 1.920 6.135 -7.239 1.00 0.00 H new ATOM 0 HD22 ASN A 2 0.996 7.208 -6.181 1.00 0.00 H new ATOM 34 N LEU A 3 -0.583 9.231 -7.641 1.00 0.00 N ATOM 35 CA LEU A 3 -0.134 10.616 -7.579 1.00 0.00 C ATOM 36 C LEU A 3 1.385 10.705 -7.712 1.00 0.00 C ATOM 37 O LEU A 3 1.905 11.526 -8.467 1.00 0.00 O ATOM 38 CB LEU A 3 -0.587 11.265 -6.264 1.00 0.00 C ATOM 39 CG LEU A 3 -0.669 10.324 -5.057 1.00 0.00 C ATOM 40 CD1 LEU A 3 0.560 10.469 -4.178 1.00 0.00 C ATOM 41 CD2 LEU A 3 -1.927 10.598 -4.247 1.00 0.00 C ATOM 0 H LEU A 3 0.141 8.543 -7.434 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.583 11.155 -8.414 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.100 12.076 -6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.568 11.714 -6.420 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.711 9.301 -5.430 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.481 9.792 -3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.451 10.223 -4.755 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.632 11.496 -3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.966 9.919 -3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.913 11.628 -3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.805 10.443 -4.875 1.00 0.00 H new ATOM 53 N SER A 4 2.092 9.854 -6.969 1.00 0.00 N ATOM 54 CA SER A 4 3.555 9.829 -6.993 1.00 0.00 C ATOM 55 C SER A 4 4.091 8.947 -5.869 1.00 0.00 C ATOM 56 O SER A 4 3.582 8.980 -4.752 1.00 0.00 O ATOM 57 CB SER A 4 4.128 11.246 -6.860 1.00 0.00 C ATOM 58 OG SER A 4 3.164 12.153 -6.348 1.00 0.00 O ATOM 0 H SER A 4 1.673 9.169 -6.340 1.00 0.00 H new ATOM 0 HA SER A 4 3.869 9.415 -7.951 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.997 11.228 -6.202 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.473 11.592 -7.834 1.00 0.00 H new ATOM 0 HG SER A 4 2.599 12.477 -7.080 1.00 0.00 H new ATOM 64 N LEU A 5 5.117 8.156 -6.168 1.00 0.00 N ATOM 65 CA LEU A 5 5.707 7.266 -5.173 1.00 0.00 C ATOM 66 C LEU A 5 6.163 8.026 -3.928 1.00 0.00 C ATOM 67 O LEU A 5 5.633 7.816 -2.838 1.00 0.00 O ATOM 68 CB LEU A 5 6.883 6.503 -5.768 1.00 0.00 C ATOM 69 CG LEU A 5 7.002 5.042 -5.318 1.00 0.00 C ATOM 70 CD1 LEU A 5 6.468 4.835 -3.915 1.00 0.00 C ATOM 71 CD2 LEU A 5 6.272 4.116 -6.267 1.00 0.00 C ATOM 0 H LEU A 5 5.556 8.113 -7.088 1.00 0.00 H new ATOM 0 HA LEU A 5 4.932 6.561 -4.873 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.800 6.527 -6.855 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.804 7.024 -5.507 1.00 0.00 H new ATOM 0 HG LEU A 5 8.066 4.804 -5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 5 6.572 3.786 -3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.032 5.453 -3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.416 5.117 -3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.374 3.087 -5.922 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.216 4.385 -6.298 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.699 4.208 -7.266 1.00 0.00 H new ATOM 83 N SER A 6 7.157 8.891 -4.088 1.00 0.00 N ATOM 84 CA SER A 6 7.693 9.660 -2.970 1.00 0.00 C ATOM 85 C SER A 6 6.589 10.352 -2.165 1.00 0.00 C ATOM 86 O SER A 6 6.618 10.348 -0.933 1.00 0.00 O ATOM 87 CB SER A 6 8.704 10.684 -3.487 1.00 0.00 C ATOM 88 OG SER A 6 8.098 11.948 -3.699 1.00 0.00 O ATOM 0 H SER A 6 7.610 9.078 -4.983 1.00 0.00 H new ATOM 0 HA SER A 6 8.192 8.966 -2.294 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.520 10.785 -2.771 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.141 10.327 -4.420 1.00 0.00 H new ATOM 0 HG SER A 6 7.494 11.896 -4.469 1.00 0.00 H new ATOM 94 N ASP A 7 5.614 10.938 -2.855 1.00 0.00 N ATOM 95 CA ASP A 7 4.516 11.617 -2.176 1.00 0.00 C ATOM 96 C ASP A 7 3.577 10.597 -1.559 1.00 0.00 C ATOM 97 O ASP A 7 3.388 10.560 -0.343 1.00 0.00 O ATOM 98 CB ASP A 7 3.747 12.514 -3.148 1.00 0.00 C ATOM 99 CG ASP A 7 4.622 13.592 -3.760 1.00 0.00 C ATOM 100 OD1 ASP A 7 5.626 13.241 -4.414 1.00 0.00 O ATOM 101 OD2 ASP A 7 4.302 14.786 -3.585 1.00 0.00 O ATOM 0 H ASP A 7 5.562 10.956 -3.874 1.00 0.00 H new ATOM 0 HA ASP A 7 4.935 12.243 -1.388 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.321 11.902 -3.943 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.913 12.981 -2.624 1.00 0.00 H new ATOM 106 N LEU A 8 3.004 9.755 -2.409 1.00 0.00 N ATOM 107 CA LEU A 8 2.094 8.711 -1.961 1.00 0.00 C ATOM 108 C LEU A 8 2.684 7.968 -0.770 1.00 0.00 C ATOM 109 O LEU A 8 1.998 7.722 0.220 1.00 0.00 O ATOM 110 CB LEU A 8 1.816 7.747 -3.108 1.00 0.00 C ATOM 111 CG LEU A 8 0.638 6.809 -2.896 1.00 0.00 C ATOM 112 CD1 LEU A 8 -0.669 7.540 -3.158 1.00 0.00 C ATOM 113 CD2 LEU A 8 0.775 5.602 -3.804 1.00 0.00 C ATOM 0 H LEU A 8 3.155 9.776 -3.418 1.00 0.00 H new ATOM 0 HA LEU A 8 1.155 9.167 -1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.639 8.327 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.710 7.148 -3.282 1.00 0.00 H new ATOM 0 HG LEU A 8 0.632 6.466 -1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.505 6.858 -3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.757 8.384 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.683 7.903 -4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.071 4.932 -3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.793 5.929 -4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.701 5.076 -3.573 1.00 0.00 H new ATOM 125 N HIS A 9 3.969 7.644 -0.865 1.00 0.00 N ATOM 126 CA HIS A 9 4.669 6.961 0.214 1.00 0.00 C ATOM 127 C HIS A 9 4.735 7.870 1.424 1.00 0.00 C ATOM 128 O HIS A 9 4.502 7.454 2.556 1.00 0.00 O ATOM 129 CB HIS A 9 6.092 6.602 -0.212 1.00 0.00 C ATOM 130 CG HIS A 9 6.936 6.064 0.904 1.00 0.00 C ATOM 131 ND1 HIS A 9 7.886 6.821 1.558 1.00 0.00 N ATOM 132 CD2 HIS A 9 6.965 4.842 1.487 1.00 0.00 C ATOM 133 CE1 HIS A 9 8.463 6.088 2.494 1.00 0.00 C ATOM 134 NE2 HIS A 9 7.922 4.884 2.472 1.00 0.00 N ATOM 0 H HIS A 9 4.547 7.845 -1.681 1.00 0.00 H new ATOM 0 HA HIS A 9 4.127 6.047 0.456 1.00 0.00 H new ATOM 0 HB2 HIS A 9 6.047 5.862 -1.011 1.00 0.00 H new ATOM 0 HB3 HIS A 9 6.573 7.489 -0.625 1.00 0.00 H new ATOM 0 HD2 HIS A 9 6.351 3.993 1.226 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.244 6.418 3.163 1.00 0.00 H new ATOM 0 HE2 HIS A 9 8.174 4.110 3.087 1.00 0.00 H new ATOM 143 N ARG A 10 5.073 9.119 1.160 1.00 0.00 N ATOM 144 CA ARG A 10 5.196 10.121 2.210 1.00 0.00 C ATOM 145 C ARG A 10 3.918 10.221 3.045 1.00 0.00 C ATOM 146 O ARG A 10 3.962 10.105 4.271 1.00 0.00 O ATOM 147 CB ARG A 10 5.536 11.484 1.605 1.00 0.00 C ATOM 148 CG ARG A 10 7.030 11.734 1.476 1.00 0.00 C ATOM 149 CD ARG A 10 7.670 12.001 2.828 1.00 0.00 C ATOM 150 NE ARG A 10 9.127 11.913 2.771 1.00 0.00 N ATOM 151 CZ ARG A 10 9.910 12.879 2.297 1.00 0.00 C ATOM 152 NH1 ARG A 10 9.381 14.007 1.841 1.00 0.00 N ATOM 153 NH2 ARG A 10 11.226 12.717 2.280 1.00 0.00 N ATOM 0 H ARG A 10 5.269 9.468 0.222 1.00 0.00 H new ATOM 0 HA ARG A 10 6.005 9.810 2.871 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.076 11.560 0.620 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.097 12.267 2.223 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.506 10.870 1.012 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.202 12.585 0.817 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.380 12.992 3.177 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.292 11.284 3.556 1.00 0.00 H new ATOM 0 HE ARG A 10 9.570 11.061 3.115 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.369 14.137 1.853 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.986 14.744 1.479 1.00 0.00 H new ATOM 0 HH21 ARG A 10 11.638 11.852 2.630 1.00 0.00 H new ATOM 0 HH22 ARG A 10 11.826 13.457 1.917 1.00 0.00 H new ATOM 167 N GLN A 11 2.781 10.446 2.384 1.00 0.00 N ATOM 168 CA GLN A 11 1.511 10.573 3.095 1.00 0.00 C ATOM 169 C GLN A 11 1.102 9.259 3.765 1.00 0.00 C ATOM 170 O GLN A 11 0.739 9.247 4.941 1.00 0.00 O ATOM 171 CB GLN A 11 0.395 11.077 2.168 1.00 0.00 C ATOM 172 CG GLN A 11 0.210 10.266 0.896 1.00 0.00 C ATOM 173 CD GLN A 11 0.372 11.099 -0.361 1.00 0.00 C ATOM 174 OE1 GLN A 11 -0.360 10.920 -1.335 1.00 0.00 O ATOM 175 NE2 GLN A 11 1.334 12.013 -0.348 1.00 0.00 N ATOM 0 H GLN A 11 2.715 10.543 1.371 1.00 0.00 H new ATOM 0 HA GLN A 11 1.661 11.315 3.879 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.544 11.079 2.721 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.607 12.111 1.896 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.933 9.451 0.882 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.781 9.813 0.901 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.917 12.128 0.481 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.490 12.601 -1.167 1.00 0.00 H new ATOM 184 N VAL A 12 1.162 8.155 3.025 1.00 0.00 N ATOM 185 CA VAL A 12 0.790 6.854 3.576 1.00 0.00 C ATOM 186 C VAL A 12 1.723 6.448 4.719 1.00 0.00 C ATOM 187 O VAL A 12 1.270 6.062 5.810 1.00 0.00 O ATOM 188 CB VAL A 12 0.785 5.755 2.485 1.00 0.00 C ATOM 189 CG1 VAL A 12 2.163 5.589 1.852 1.00 0.00 C ATOM 190 CG2 VAL A 12 0.293 4.435 3.061 1.00 0.00 C ATOM 0 H VAL A 12 1.462 8.134 2.050 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.222 6.953 3.969 1.00 0.00 H new ATOM 0 HB VAL A 12 0.098 6.069 1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.122 4.810 1.091 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.468 6.529 1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.885 5.309 2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.296 3.674 2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.951 4.125 3.873 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.720 4.560 3.442 1.00 0.00 H new ATOM 200 N SER A 13 3.024 6.545 4.465 1.00 0.00 N ATOM 201 CA SER A 13 4.034 6.195 5.454 1.00 0.00 C ATOM 202 C SER A 13 3.849 6.987 6.740 1.00 0.00 C ATOM 203 O SER A 13 3.683 6.412 7.812 1.00 0.00 O ATOM 204 CB SER A 13 5.434 6.443 4.891 1.00 0.00 C ATOM 205 OG SER A 13 5.700 5.591 3.791 1.00 0.00 O ATOM 0 H SER A 13 3.404 6.866 3.575 1.00 0.00 H new ATOM 0 HA SER A 13 3.919 5.136 5.686 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.525 7.484 4.579 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.177 6.278 5.671 1.00 0.00 H new ATOM 0 HG SER A 13 6.632 5.289 3.829 1.00 0.00 H new ATOM 211 N ARG A 14 3.878 8.309 6.629 1.00 0.00 N ATOM 212 CA ARG A 14 3.720 9.171 7.791 1.00 0.00 C ATOM 213 C ARG A 14 2.381 8.922 8.464 1.00 0.00 C ATOM 214 O ARG A 14 2.261 8.990 9.684 1.00 0.00 O ATOM 215 CB ARG A 14 3.834 10.641 7.383 1.00 0.00 C ATOM 216 CG ARG A 14 3.754 11.604 8.556 1.00 0.00 C ATOM 217 CD ARG A 14 4.097 13.024 8.137 1.00 0.00 C ATOM 218 NE ARG A 14 5.330 13.082 7.354 1.00 0.00 N ATOM 219 CZ ARG A 14 5.658 14.099 6.561 1.00 0.00 C ATOM 220 NH1 ARG A 14 4.851 15.146 6.444 1.00 0.00 N ATOM 221 NH2 ARG A 14 6.798 14.070 5.884 1.00 0.00 N ATOM 0 H ARG A 14 4.009 8.806 5.748 1.00 0.00 H new ATOM 0 HA ARG A 14 4.515 8.938 8.499 1.00 0.00 H new ATOM 0 HB2 ARG A 14 4.779 10.793 6.862 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.039 10.876 6.675 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.750 11.581 8.979 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.438 11.280 9.341 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.276 13.437 7.551 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.201 13.648 9.024 1.00 0.00 H new ATOM 0 HE ARG A 14 5.977 12.296 7.419 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.974 15.174 6.964 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.108 15.922 5.835 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.423 13.268 5.971 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.050 14.849 5.276 1.00 0.00 H new ATOM 235 N LEU A 15 1.373 8.638 7.656 1.00 0.00 N ATOM 236 CA LEU A 15 0.037 8.389 8.165 1.00 0.00 C ATOM 237 C LEU A 15 0.011 7.255 9.175 1.00 0.00 C ATOM 238 O LEU A 15 -0.292 7.468 10.347 1.00 0.00 O ATOM 239 CB LEU A 15 -0.900 8.070 7.017 1.00 0.00 C ATOM 240 CG LEU A 15 -1.556 9.289 6.399 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.101 8.949 5.026 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.655 9.817 7.303 1.00 0.00 C ATOM 0 H LEU A 15 1.456 8.574 6.641 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.292 9.294 8.676 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.344 7.539 6.245 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.677 7.393 7.373 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.807 10.073 6.287 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.570 9.832 4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.286 8.618 4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.840 8.153 5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.115 10.692 6.844 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.410 9.044 7.448 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.231 10.095 8.268 1.00 0.00 H new ATOM 254 N VAL A 16 0.317 6.046 8.723 1.00 0.00 N ATOM 255 CA VAL A 16 0.304 4.899 9.624 1.00 0.00 C ATOM 256 C VAL A 16 1.467 4.970 10.603 1.00 0.00 C ATOM 257 O VAL A 16 1.394 4.433 11.708 1.00 0.00 O ATOM 258 CB VAL A 16 0.336 3.562 8.856 1.00 0.00 C ATOM 259 CG1 VAL A 16 1.150 2.505 9.595 1.00 0.00 C ATOM 260 CG2 VAL A 16 -1.077 3.062 8.607 1.00 0.00 C ATOM 0 H VAL A 16 0.572 5.835 7.758 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.632 4.939 10.181 1.00 0.00 H new ATOM 0 HB VAL A 16 0.824 3.744 7.898 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.148 1.578 9.022 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.175 2.855 9.717 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.709 2.326 10.576 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.038 2.118 8.064 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.583 2.912 9.561 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.625 3.797 8.017 1.00 0.00 H new ATOM 270 N GLN A 17 2.537 5.641 10.197 1.00 0.00 N ATOM 271 CA GLN A 17 3.701 5.779 11.055 1.00 0.00 C ATOM 272 C GLN A 17 3.410 6.754 12.192 1.00 0.00 C ATOM 273 O GLN A 17 4.064 6.714 13.235 1.00 0.00 O ATOM 274 CB GLN A 17 4.916 6.238 10.246 1.00 0.00 C ATOM 275 CG GLN A 17 5.453 5.171 9.301 1.00 0.00 C ATOM 276 CD GLN A 17 6.681 4.471 9.849 1.00 0.00 C ATOM 277 OE1 GLN A 17 6.691 4.015 10.992 1.00 0.00 O ATOM 278 NE2 GLN A 17 7.726 4.383 9.033 1.00 0.00 N ATOM 0 H GLN A 17 2.621 6.094 9.287 1.00 0.00 H new ATOM 0 HA GLN A 17 3.930 4.805 11.487 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.645 7.122 9.668 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.708 6.537 10.932 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.673 4.433 9.111 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.698 5.629 8.343 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.673 4.775 8.093 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.581 3.923 9.347 1.00 0.00 H new ATOM 287 N GLN A 18 2.416 7.623 11.994 1.00 0.00 N ATOM 288 CA GLN A 18 2.043 8.590 13.020 1.00 0.00 C ATOM 289 C GLN A 18 0.643 9.148 12.770 1.00 0.00 C ATOM 290 O GLN A 18 0.469 10.353 12.584 1.00 0.00 O ATOM 291 CB GLN A 18 3.063 9.731 13.078 1.00 0.00 C ATOM 292 CG GLN A 18 3.439 10.283 11.713 1.00 0.00 C ATOM 293 CD GLN A 18 4.268 11.549 11.802 1.00 0.00 C ATOM 294 OE1 GLN A 18 3.782 12.594 12.235 1.00 0.00 O ATOM 295 NE2 GLN A 18 5.527 11.462 11.390 1.00 0.00 N ATOM 0 H GLN A 18 1.861 7.675 11.140 1.00 0.00 H new ATOM 0 HA GLN A 18 2.037 8.073 13.979 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.658 10.538 13.688 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.964 9.376 13.578 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.997 9.527 11.161 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.531 10.487 11.146 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.888 10.575 11.038 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.133 12.282 11.425 1.00 0.00 H new ATOM 304 N GLU A 19 -0.358 8.267 12.772 1.00 0.00 N ATOM 305 CA GLU A 19 -1.743 8.682 12.552 1.00 0.00 C ATOM 306 C GLU A 19 -2.693 7.487 12.512 1.00 0.00 C ATOM 307 O GLU A 19 -3.606 7.385 13.331 1.00 0.00 O ATOM 308 CB GLU A 19 -1.865 9.485 11.251 1.00 0.00 C ATOM 309 CG GLU A 19 -2.559 10.826 11.429 1.00 0.00 C ATOM 310 CD GLU A 19 -4.014 10.679 11.831 1.00 0.00 C ATOM 311 OE1 GLU A 19 -4.757 9.970 11.120 1.00 0.00 O ATOM 312 OE2 GLU A 19 -4.409 11.271 12.857 1.00 0.00 O ATOM 0 H GLU A 19 -0.236 7.266 12.923 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.028 9.313 13.394 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.869 9.652 10.842 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.416 8.894 10.519 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.033 11.406 12.187 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.498 11.389 10.498 1.00 0.00 H new ATOM 319 N SER A 20 -2.488 6.593 11.549 1.00 0.00 N ATOM 320 CA SER A 20 -3.345 5.420 11.405 1.00 0.00 C ATOM 321 C SER A 20 -2.989 4.334 12.419 1.00 0.00 C ATOM 322 O SER A 20 -3.642 4.200 13.454 1.00 0.00 O ATOM 323 CB SER A 20 -3.252 4.862 9.980 1.00 0.00 C ATOM 324 OG SER A 20 -4.494 4.971 9.312 1.00 0.00 O ATOM 0 H SER A 20 -1.739 6.658 10.859 1.00 0.00 H new ATOM 0 HA SER A 20 -4.370 5.736 11.600 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.487 5.402 9.423 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.944 3.817 10.014 1.00 0.00 H new ATOM 0 HG SER A 20 -5.212 4.662 9.904 1.00 0.00 H new ATOM 330 N GLY A 21 -1.957 3.557 12.110 1.00 0.00 N ATOM 331 CA GLY A 21 -1.540 2.488 12.997 1.00 0.00 C ATOM 332 C GLY A 21 -1.921 1.117 12.467 1.00 0.00 C ATOM 333 O GLY A 21 -2.668 0.381 13.111 1.00 0.00 O ATOM 0 H GLY A 21 -1.401 3.649 11.260 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.460 2.534 13.135 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.993 2.635 13.977 1.00 0.00 H new ATOM 337 N ASP A 22 -1.407 0.776 11.288 1.00 0.00 N ATOM 338 CA ASP A 22 -1.694 -0.514 10.664 1.00 0.00 C ATOM 339 C ASP A 22 -3.153 -0.598 10.218 1.00 0.00 C ATOM 340 O ASP A 22 -3.732 -1.682 10.159 1.00 0.00 O ATOM 341 CB ASP A 22 -1.376 -1.659 11.629 1.00 0.00 C ATOM 342 CG ASP A 22 -1.110 -2.966 10.909 1.00 0.00 C ATOM 343 OD1 ASP A 22 -2.061 -3.526 10.323 1.00 0.00 O ATOM 344 OD2 ASP A 22 0.050 -3.430 10.930 1.00 0.00 O ATOM 0 H ASP A 22 -0.788 1.377 10.744 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.060 -0.606 9.782 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.505 -1.394 12.228 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.209 -1.791 12.319 1.00 0.00 H new ATOM 349 N CYS A 23 -3.739 0.553 9.902 1.00 0.00 N ATOM 350 CA CYS A 23 -5.128 0.616 9.456 1.00 0.00 C ATOM 351 C CYS A 23 -5.203 0.510 7.935 1.00 0.00 C ATOM 352 O CYS A 23 -4.242 0.091 7.291 1.00 0.00 O ATOM 353 CB CYS A 23 -5.767 1.923 9.937 1.00 0.00 C ATOM 354 SG CYS A 23 -6.987 1.701 11.251 1.00 0.00 S ATOM 0 H CYS A 23 -3.272 1.459 9.947 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.678 -0.223 9.883 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -4.982 2.591 10.292 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.245 2.416 9.090 1.00 0.00 H new ATOM 0 HG CYS A 23 -6.610 2.357 12.308 1.00 0.00 H new ATOM 360 N THR A 24 -6.340 0.897 7.362 1.00 0.00 N ATOM 361 CA THR A 24 -6.510 0.844 5.915 1.00 0.00 C ATOM 362 C THR A 24 -6.397 2.243 5.330 1.00 0.00 C ATOM 363 O THR A 24 -6.443 3.231 6.060 1.00 0.00 O ATOM 364 CB THR A 24 -7.860 0.221 5.544 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.575 -0.164 6.705 1.00 0.00 O ATOM 366 CG2 THR A 24 -7.731 -1.001 4.657 1.00 0.00 C ATOM 0 H THR A 24 -7.150 1.248 7.873 1.00 0.00 H new ATOM 0 HA THR A 24 -5.722 0.217 5.498 1.00 0.00 H new ATOM 0 HB THR A 24 -8.393 0.997 4.994 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.232 -1.023 7.030 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.723 -1.393 4.432 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.230 -0.726 3.729 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.147 -1.764 5.172 1.00 0.00 H new ATOM 374 N GLY A 25 -6.228 2.327 4.017 1.00 0.00 N ATOM 375 CA GLY A 25 -6.094 3.622 3.386 1.00 0.00 C ATOM 376 C GLY A 25 -6.945 3.773 2.145 1.00 0.00 C ATOM 377 O GLY A 25 -7.256 2.794 1.467 1.00 0.00 O ATOM 0 H GLY A 25 -6.182 1.529 3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.367 4.397 4.102 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.049 3.784 3.123 1.00 0.00 H new ATOM 381 N LYS A 26 -7.312 5.012 1.845 1.00 0.00 N ATOM 382 CA LYS A 26 -8.124 5.311 0.672 1.00 0.00 C ATOM 383 C LYS A 26 -7.345 6.194 -0.298 1.00 0.00 C ATOM 384 O LYS A 26 -6.757 7.198 0.105 1.00 0.00 O ATOM 385 CB LYS A 26 -9.428 5.999 1.091 1.00 0.00 C ATOM 386 CG LYS A 26 -9.261 7.460 1.453 1.00 0.00 C ATOM 387 CD LYS A 26 -9.507 8.364 0.254 1.00 0.00 C ATOM 388 CE LYS A 26 -8.942 9.754 0.483 1.00 0.00 C ATOM 389 NZ LYS A 26 -9.821 10.575 1.364 1.00 0.00 N ATOM 0 H LYS A 26 -7.059 5.829 2.400 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.371 4.376 0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.149 5.916 0.278 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.849 5.469 1.945 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.954 7.719 2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.255 7.628 1.836 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.051 7.926 -0.634 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.578 8.432 0.061 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.952 9.674 0.932 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.817 10.257 -0.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.557 11.577 1.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.813 10.453 1.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.707 10.268 2.351 1.00 0.00 H new ATOM 403 N LEU A 27 -7.336 5.816 -1.574 1.00 0.00 N ATOM 404 CA LEU A 27 -6.614 6.581 -2.585 1.00 0.00 C ATOM 405 C LEU A 27 -7.563 7.374 -3.480 1.00 0.00 C ATOM 406 O LEU A 27 -8.679 6.943 -3.764 1.00 0.00 O ATOM 407 CB LEU A 27 -5.746 5.656 -3.438 1.00 0.00 C ATOM 408 CG LEU A 27 -4.660 6.367 -4.249 1.00 0.00 C ATOM 409 CD1 LEU A 27 -3.328 5.645 -4.115 1.00 0.00 C ATOM 410 CD2 LEU A 27 -5.069 6.472 -5.710 1.00 0.00 C ATOM 0 H LEU A 27 -7.817 4.990 -1.930 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.975 7.291 -2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.272 4.922 -2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.390 5.105 -4.123 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.541 7.375 -3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.571 6.167 -4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.028 5.626 -3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.429 4.624 -4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.285 6.980 -6.272 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.219 5.473 -6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.997 7.039 -5.788 1.00 0.00 H new ATOM 422 N ARG A 28 -7.094 8.541 -3.915 1.00 0.00 N ATOM 423 CA ARG A 28 -7.863 9.435 -4.780 1.00 0.00 C ATOM 424 C ARG A 28 -7.123 10.762 -4.907 1.00 0.00 C ATOM 425 O ARG A 28 -7.665 11.826 -4.605 1.00 0.00 O ATOM 426 CB ARG A 28 -9.267 9.668 -4.208 1.00 0.00 C ATOM 427 CG ARG A 28 -10.380 9.397 -5.204 1.00 0.00 C ATOM 428 CD ARG A 28 -10.899 7.978 -5.071 1.00 0.00 C ATOM 429 NE ARG A 28 -10.233 7.066 -5.997 1.00 0.00 N ATOM 430 CZ ARG A 28 -10.438 7.064 -7.313 1.00 0.00 C ATOM 431 NH1 ARG A 28 -11.297 7.916 -7.859 1.00 0.00 N ATOM 432 NH2 ARG A 28 -9.781 6.210 -8.084 1.00 0.00 N ATOM 0 H ARG A 28 -6.167 8.895 -3.677 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.970 8.976 -5.763 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.406 9.028 -3.337 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.343 10.699 -3.862 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.195 10.102 -5.043 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.013 9.560 -6.217 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.749 7.631 -4.049 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.973 7.965 -5.258 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.572 6.391 -5.613 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.804 8.577 -7.270 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.450 7.910 -8.867 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.119 5.554 -7.670 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.938 6.208 -9.092 1.00 0.00 H new ATOM 446 N GLY A 29 -5.860 10.681 -5.306 1.00 0.00 N ATOM 447 CA GLY A 29 -5.039 11.870 -5.407 1.00 0.00 C ATOM 448 C GLY A 29 -4.398 12.181 -4.068 1.00 0.00 C ATOM 449 O GLY A 29 -3.642 13.142 -3.928 1.00 0.00 O ATOM 0 H GLY A 29 -5.390 9.812 -5.561 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.267 11.724 -6.163 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.647 12.714 -5.732 1.00 0.00 H new ATOM 453 N ASN A 30 -4.713 11.338 -3.085 1.00 0.00 N ATOM 454 CA ASN A 30 -4.200 11.459 -1.737 1.00 0.00 C ATOM 455 C ASN A 30 -4.483 10.157 -1.004 1.00 0.00 C ATOM 456 O ASN A 30 -5.284 9.346 -1.471 1.00 0.00 O ATOM 457 CB ASN A 30 -4.846 12.659 -1.023 1.00 0.00 C ATOM 458 CG ASN A 30 -5.443 12.317 0.334 1.00 0.00 C ATOM 459 OD1 ASN A 30 -6.448 11.448 0.341 1.00 0.00 O flip ATOM 460 ND2 ASN A 30 -5.005 12.831 1.363 1.00 0.00 N flip ATOM 0 H ASN A 30 -5.341 10.544 -3.213 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.125 11.638 -1.754 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.096 13.440 -0.893 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.628 13.071 -1.660 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.231 13.494 1.313 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.416 12.594 2.266 1.00 0.00 H new ATOM 467 N VAL A 31 -3.845 9.947 0.134 1.00 0.00 N ATOM 468 CA VAL A 31 -4.075 8.724 0.885 1.00 0.00 C ATOM 469 C VAL A 31 -4.593 9.024 2.293 1.00 0.00 C ATOM 470 O VAL A 31 -3.913 9.649 3.106 1.00 0.00 O ATOM 471 CB VAL A 31 -2.812 7.826 0.928 1.00 0.00 C ATOM 472 CG1 VAL A 31 -1.967 8.014 -0.326 1.00 0.00 C ATOM 473 CG2 VAL A 31 -1.977 8.075 2.175 1.00 0.00 C ATOM 0 H VAL A 31 -3.176 10.593 0.553 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.849 8.165 0.359 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.156 6.793 0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.087 7.373 -0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.555 7.748 -1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.653 9.055 -0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.103 7.424 2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.655 9.116 2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.575 7.863 3.061 1.00 0.00 H new ATOM 483 N ALA A 32 -5.816 8.575 2.560 1.00 0.00 N ATOM 484 CA ALA A 32 -6.456 8.785 3.855 1.00 0.00 C ATOM 485 C ALA A 32 -6.450 7.501 4.669 1.00 0.00 C ATOM 486 O ALA A 32 -6.153 6.430 4.142 1.00 0.00 O ATOM 487 CB ALA A 32 -7.875 9.298 3.681 1.00 0.00 C ATOM 0 H ALA A 32 -6.388 8.059 1.891 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.885 9.540 4.396 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.331 9.447 4.660 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.856 10.245 3.142 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.458 8.571 3.116 1.00 0.00 H new ATOM 493 N ALA A 33 -6.756 7.614 5.958 1.00 0.00 N ATOM 494 CA ALA A 33 -6.757 6.456 6.843 1.00 0.00 C ATOM 495 C ALA A 33 -8.171 5.963 7.132 1.00 0.00 C ATOM 496 O ALA A 33 -9.093 6.751 7.346 1.00 0.00 O ATOM 497 CB ALA A 33 -6.054 6.802 8.144 1.00 0.00 C ATOM 0 H ALA A 33 -7.006 8.493 6.411 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.223 5.651 6.338 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.058 5.933 8.802 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.025 7.095 7.935 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.574 7.627 8.630 1.00 0.00 H new ATOM 503 N ASN A 34 -8.322 4.642 7.126 1.00 0.00 N ATOM 504 CA ASN A 34 -9.604 3.997 7.375 1.00 0.00 C ATOM 505 C ASN A 34 -9.522 3.104 8.612 1.00 0.00 C ATOM 506 O ASN A 34 -8.748 2.143 8.645 1.00 0.00 O ATOM 507 CB ASN A 34 -10.008 3.169 6.150 1.00 0.00 C ATOM 508 CG ASN A 34 -11.222 2.290 6.392 1.00 0.00 C ATOM 509 OD1 ASN A 34 -12.223 2.734 6.954 1.00 0.00 O ATOM 510 ND2 ASN A 34 -11.135 1.033 5.967 1.00 0.00 N ATOM 0 H ASN A 34 -7.558 3.990 6.948 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.358 4.764 7.555 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.216 3.842 5.318 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.168 2.542 5.851 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.918 0.394 6.102 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.285 0.708 5.506 1.00 0.00 H new ATOM 517 N LYS A 35 -10.320 3.429 9.625 1.00 0.00 N ATOM 518 CA LYS A 35 -10.337 2.659 10.865 1.00 0.00 C ATOM 519 C LYS A 35 -11.700 2.012 11.095 1.00 0.00 C ATOM 520 O LYS A 35 -11.796 0.950 11.710 1.00 0.00 O ATOM 521 CB LYS A 35 -9.982 3.557 12.051 1.00 0.00 C ATOM 522 CG LYS A 35 -8.672 4.310 11.875 1.00 0.00 C ATOM 523 CD LYS A 35 -8.878 5.816 11.924 1.00 0.00 C ATOM 524 CE LYS A 35 -9.400 6.351 10.600 1.00 0.00 C ATOM 525 NZ LYS A 35 -10.831 6.754 10.688 1.00 0.00 N ATOM 0 H LYS A 35 -10.963 4.220 9.612 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.593 1.867 10.777 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.787 4.276 12.205 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.922 2.947 12.953 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.973 4.013 12.657 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.220 4.035 10.922 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.581 6.062 12.720 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.935 6.305 12.169 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.800 7.208 10.293 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.285 5.589 9.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.162 7.065 9.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.401 5.944 11.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.931 7.535 11.368 1.00 0.00 H new ATOM 539 N GLU A 36 -12.751 2.656 10.599 1.00 0.00 N ATOM 540 CA GLU A 36 -14.107 2.140 10.754 1.00 0.00 C ATOM 541 C GLU A 36 -14.238 0.756 10.126 1.00 0.00 C ATOM 542 O GLU A 36 -14.827 -0.152 10.713 1.00 0.00 O ATOM 543 CB GLU A 36 -15.115 3.098 10.118 1.00 0.00 C ATOM 544 CG GLU A 36 -15.386 4.339 10.954 1.00 0.00 C ATOM 545 CD GLU A 36 -14.317 5.401 10.782 1.00 0.00 C ATOM 546 OE1 GLU A 36 -14.417 6.194 9.822 1.00 0.00 O ATOM 547 OE2 GLU A 36 -13.381 5.440 11.608 1.00 0.00 O ATOM 0 H GLU A 36 -12.690 3.536 10.086 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.317 2.057 11.820 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.746 3.403 9.139 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.053 2.568 9.954 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -16.355 4.755 10.677 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -15.449 4.058 12.005 1.00 0.00 H new ATOM 554 N THR A 37 -13.683 0.603 8.929 1.00 0.00 N ATOM 555 CA THR A 37 -13.733 -0.669 8.216 1.00 0.00 C ATOM 556 C THR A 37 -12.329 -1.175 7.919 1.00 0.00 C ATOM 557 O THR A 37 -11.339 -0.582 8.347 1.00 0.00 O ATOM 558 CB THR A 37 -14.518 -0.516 6.912 1.00 0.00 C ATOM 559 OG1 THR A 37 -13.794 0.269 5.981 1.00 0.00 O ATOM 560 CG2 THR A 37 -15.874 0.130 7.102 1.00 0.00 C ATOM 0 H THR A 37 -13.192 1.345 8.431 1.00 0.00 H new ATOM 0 HA THR A 37 -14.238 -1.396 8.852 1.00 0.00 H new ATOM 0 HB THR A 37 -14.666 -1.531 6.542 1.00 0.00 H new ATOM 0 HG1 THR A 37 -14.173 1.172 5.950 1.00 0.00 H new ATOM 0 HG21 THR A 37 -16.378 0.208 6.139 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.475 -0.478 7.778 1.00 0.00 H new ATOM 0 HG23 THR A 37 -15.746 1.126 7.527 1.00 0.00 H new ATOM 568 N THR A 38 -12.251 -2.273 7.180 1.00 0.00 N ATOM 569 CA THR A 38 -10.970 -2.859 6.820 1.00 0.00 C ATOM 570 C THR A 38 -10.858 -2.987 5.300 1.00 0.00 C ATOM 571 O THR A 38 -10.854 -1.980 4.593 1.00 0.00 O ATOM 572 CB THR A 38 -10.798 -4.217 7.507 1.00 0.00 C ATOM 573 OG1 THR A 38 -11.735 -5.154 7.006 1.00 0.00 O ATOM 574 CG2 THR A 38 -10.972 -4.153 9.009 1.00 0.00 C ATOM 0 H THR A 38 -13.062 -2.776 6.818 1.00 0.00 H new ATOM 0 HA THR A 38 -10.168 -2.205 7.163 1.00 0.00 H new ATOM 0 HB THR A 38 -9.776 -4.525 7.288 1.00 0.00 H new ATOM 0 HG1 THR A 38 -11.608 -6.016 7.456 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.838 -5.148 9.434 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.231 -3.475 9.432 1.00 0.00 H new ATOM 0 HG23 THR A 38 -11.973 -3.790 9.244 1.00 0.00 H new ATOM 582 N PHE A 39 -10.778 -4.215 4.793 1.00 0.00 N ATOM 583 CA PHE A 39 -10.675 -4.429 3.355 1.00 0.00 C ATOM 584 C PHE A 39 -10.808 -5.923 2.994 1.00 0.00 C ATOM 585 O PHE A 39 -11.904 -6.378 2.663 1.00 0.00 O ATOM 586 CB PHE A 39 -9.377 -3.776 2.828 1.00 0.00 C ATOM 587 CG PHE A 39 -8.112 -4.479 3.251 1.00 0.00 C ATOM 588 CD1 PHE A 39 -7.879 -4.773 4.589 1.00 0.00 C ATOM 589 CD2 PHE A 39 -7.169 -4.868 2.313 1.00 0.00 C ATOM 590 CE1 PHE A 39 -6.734 -5.442 4.977 1.00 0.00 C ATOM 591 CE2 PHE A 39 -6.019 -5.532 2.698 1.00 0.00 C ATOM 592 CZ PHE A 39 -5.803 -5.822 4.030 1.00 0.00 C ATOM 0 H PHE A 39 -10.783 -5.068 5.352 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.510 -3.941 2.852 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -9.415 -3.746 1.739 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -9.338 -2.743 3.174 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -8.601 -4.475 5.334 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.334 -4.650 1.268 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.567 -5.668 6.020 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.290 -5.824 1.957 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.908 -6.345 4.331 1.00 0.00 H new ATOM 602 N GLN A 40 -9.718 -6.680 3.052 1.00 0.00 N ATOM 603 CA GLN A 40 -9.729 -8.117 2.732 1.00 0.00 C ATOM 604 C GLN A 40 -9.680 -8.369 1.222 1.00 0.00 C ATOM 605 O GLN A 40 -10.248 -9.345 0.733 1.00 0.00 O ATOM 606 CB GLN A 40 -10.967 -8.804 3.325 1.00 0.00 C ATOM 607 CG GLN A 40 -11.349 -8.308 4.712 1.00 0.00 C ATOM 608 CD GLN A 40 -12.799 -7.869 4.794 1.00 0.00 C ATOM 609 OE1 GLN A 40 -13.015 -6.568 4.954 1.00 0.00 O flip ATOM 610 NE2 GLN A 40 -13.715 -8.688 4.715 1.00 0.00 N flip ATOM 0 H GLN A 40 -8.801 -6.324 3.320 1.00 0.00 H new ATOM 0 HA GLN A 40 -8.831 -8.543 3.179 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.811 -8.652 2.652 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.786 -9.878 3.372 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.171 -9.100 5.439 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.704 -7.473 4.986 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -13.504 -9.678 4.592 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -14.684 -8.376 4.772 1.00 0.00 H new ATOM 619 N GLY A 41 -9.006 -7.487 0.486 1.00 0.00 N ATOM 620 CA GLY A 41 -8.902 -7.631 -0.966 1.00 0.00 C ATOM 621 C GLY A 41 -10.208 -7.341 -1.700 1.00 0.00 C ATOM 622 O GLY A 41 -10.194 -7.045 -2.895 1.00 0.00 O ATOM 0 H GLY A 41 -8.527 -6.671 0.867 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.129 -6.957 -1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.580 -8.645 -1.201 1.00 0.00 H new ATOM 626 N LEU A 42 -11.330 -7.410 -0.977 1.00 0.00 N ATOM 627 CA LEU A 42 -12.662 -7.142 -1.530 1.00 0.00 C ATOM 628 C LEU A 42 -12.620 -6.208 -2.738 1.00 0.00 C ATOM 629 O LEU A 42 -11.856 -5.244 -2.767 1.00 0.00 O ATOM 630 CB LEU A 42 -13.545 -6.531 -0.439 1.00 0.00 C ATOM 631 CG LEU A 42 -15.023 -6.907 -0.498 1.00 0.00 C ATOM 632 CD1 LEU A 42 -15.178 -8.407 -0.678 1.00 0.00 C ATOM 633 CD2 LEU A 42 -15.734 -6.441 0.764 1.00 0.00 C ATOM 0 H LEU A 42 -11.340 -7.654 0.013 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.073 -8.091 -1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.151 -6.831 0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.462 -5.446 -0.495 1.00 0.00 H new ATOM 0 HG LEU A 42 -15.479 -6.410 -1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -16.237 -8.661 -0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.696 -8.714 -1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -14.713 -8.924 0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -16.788 -6.715 0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -15.280 -6.915 1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.645 -5.358 0.853 1.00 0.00 H new ATOM 645 N THR A 43 -13.449 -6.508 -3.733 1.00 0.00 N ATOM 646 CA THR A 43 -13.513 -5.707 -4.949 1.00 0.00 C ATOM 647 C THR A 43 -14.688 -4.733 -4.913 1.00 0.00 C ATOM 648 O THR A 43 -15.254 -4.390 -5.951 1.00 0.00 O ATOM 649 CB THR A 43 -13.633 -6.620 -6.168 1.00 0.00 C ATOM 650 OG1 THR A 43 -12.978 -7.854 -5.936 1.00 0.00 O ATOM 651 CG2 THR A 43 -13.048 -6.019 -7.423 1.00 0.00 C ATOM 0 H THR A 43 -14.088 -7.303 -3.720 1.00 0.00 H new ATOM 0 HA THR A 43 -12.594 -5.125 -5.018 1.00 0.00 H new ATOM 0 HB THR A 43 -14.703 -6.763 -6.318 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.067 -8.426 -6.727 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.166 -6.718 -8.251 1.00 0.00 H new ATOM 0 HG22 THR A 43 -13.566 -5.089 -7.657 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.988 -5.815 -7.269 1.00 0.00 H new ATOM 659 N ILE A 44 -15.048 -4.290 -3.713 1.00 0.00 N ATOM 660 CA ILE A 44 -16.154 -3.350 -3.537 1.00 0.00 C ATOM 661 C ILE A 44 -17.505 -3.977 -3.883 1.00 0.00 C ATOM 662 O ILE A 44 -18.532 -3.300 -3.854 1.00 0.00 O ATOM 663 CB ILE A 44 -15.971 -2.094 -4.409 1.00 0.00 C ATOM 664 CG1 ILE A 44 -14.514 -1.624 -4.388 1.00 0.00 C ATOM 665 CG2 ILE A 44 -16.902 -0.985 -3.941 1.00 0.00 C ATOM 666 CD1 ILE A 44 -13.856 -1.656 -5.749 1.00 0.00 C ATOM 0 H ILE A 44 -14.590 -4.566 -2.845 1.00 0.00 H new ATOM 0 HA ILE A 44 -16.144 -3.076 -2.482 1.00 0.00 H new ATOM 0 HB ILE A 44 -16.227 -2.349 -5.437 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -14.473 -0.608 -3.996 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -13.946 -2.253 -3.703 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -16.761 -0.104 -4.567 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -17.936 -1.322 -4.016 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.677 -0.734 -2.905 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.826 -1.311 -5.663 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -13.866 -2.676 -6.134 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.401 -1.005 -6.432 1.00 0.00 H new ATOM 678 N ALA A 45 -17.506 -5.263 -4.219 1.00 0.00 N ATOM 679 CA ALA A 45 -18.739 -5.954 -4.576 1.00 0.00 C ATOM 680 C ALA A 45 -19.447 -6.504 -3.344 1.00 0.00 C ATOM 681 O ALA A 45 -20.669 -6.654 -3.336 1.00 0.00 O ATOM 682 CB ALA A 45 -18.447 -7.075 -5.562 1.00 0.00 C ATOM 0 H ALA A 45 -16.669 -5.846 -4.251 1.00 0.00 H new ATOM 0 HA ALA A 45 -19.404 -5.230 -5.046 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -19.376 -7.583 -5.821 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -17.998 -6.659 -6.464 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -17.758 -7.788 -5.109 1.00 0.00 H new ATOM 688 N SER A 46 -18.677 -6.810 -2.306 1.00 0.00 N ATOM 689 CA SER A 46 -19.244 -7.352 -1.075 1.00 0.00 C ATOM 690 C SER A 46 -19.591 -6.244 -0.083 1.00 0.00 C ATOM 691 O SER A 46 -20.588 -6.335 0.633 1.00 0.00 O ATOM 692 CB SER A 46 -18.276 -8.346 -0.434 1.00 0.00 C ATOM 693 OG SER A 46 -18.970 -9.459 0.103 1.00 0.00 O ATOM 0 H SER A 46 -17.664 -6.693 -2.291 1.00 0.00 H new ATOM 0 HA SER A 46 -20.166 -7.870 -1.337 1.00 0.00 H new ATOM 0 HB2 SER A 46 -17.555 -8.687 -1.177 1.00 0.00 H new ATOM 0 HB3 SER A 46 -17.711 -7.851 0.355 1.00 0.00 H new ATOM 0 HG SER A 46 -18.329 -10.081 0.506 1.00 0.00 H new ATOM 699 N GLY A 47 -18.769 -5.198 -0.041 1.00 0.00 N ATOM 700 CA GLY A 47 -19.025 -4.099 0.874 1.00 0.00 C ATOM 701 C GLY A 47 -17.777 -3.309 1.222 1.00 0.00 C ATOM 702 O GLY A 47 -17.514 -3.037 2.394 1.00 0.00 O ATOM 0 H GLY A 47 -17.936 -5.092 -0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.760 -3.428 0.429 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.466 -4.492 1.790 1.00 0.00 H new ATOM 706 N ALA A 48 -17.010 -2.932 0.205 1.00 0.00 N ATOM 707 CA ALA A 48 -15.789 -2.160 0.410 1.00 0.00 C ATOM 708 C ALA A 48 -15.876 -0.815 -0.298 1.00 0.00 C ATOM 709 O ALA A 48 -16.923 -0.449 -0.831 1.00 0.00 O ATOM 710 CB ALA A 48 -14.582 -2.933 -0.097 1.00 0.00 C ATOM 0 H ALA A 48 -17.212 -3.149 -0.771 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.675 -1.984 1.480 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.679 -2.344 0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.501 -3.876 0.444 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.700 -3.134 -1.162 1.00 0.00 H new ATOM 716 N ARG A 49 -14.765 -0.091 -0.312 1.00 0.00 N ATOM 717 CA ARG A 49 -14.711 1.207 -0.970 1.00 0.00 C ATOM 718 C ARG A 49 -13.666 1.190 -2.078 1.00 0.00 C ATOM 719 O ARG A 49 -12.524 0.786 -1.856 1.00 0.00 O ATOM 720 CB ARG A 49 -14.394 2.313 0.042 1.00 0.00 C ATOM 721 CG ARG A 49 -13.301 1.945 1.034 1.00 0.00 C ATOM 722 CD ARG A 49 -13.366 2.812 2.281 1.00 0.00 C ATOM 723 NE ARG A 49 -14.716 2.875 2.836 1.00 0.00 N ATOM 724 CZ ARG A 49 -15.315 1.856 3.448 1.00 0.00 C ATOM 725 NH1 ARG A 49 -14.686 0.696 3.591 1.00 0.00 N ATOM 726 NH2 ARG A 49 -16.546 1.997 3.921 1.00 0.00 N ATOM 0 H ARG A 49 -13.890 -0.380 0.124 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.687 1.413 -1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.094 3.211 -0.498 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -15.302 2.560 0.592 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.400 0.896 1.313 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.326 2.058 0.561 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.683 2.417 3.033 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.026 3.819 2.040 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.230 3.752 2.749 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.738 0.582 3.231 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.150 -0.081 4.061 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.034 2.886 3.816 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -17.005 1.216 4.390 1.00 0.00 H new ATOM 740 N GLU A 50 -14.062 1.626 -3.273 1.00 0.00 N ATOM 741 CA GLU A 50 -13.157 1.658 -4.422 1.00 0.00 C ATOM 742 C GLU A 50 -11.785 2.194 -4.024 1.00 0.00 C ATOM 743 O GLU A 50 -10.767 1.819 -4.603 1.00 0.00 O ATOM 744 CB GLU A 50 -13.748 2.519 -5.540 1.00 0.00 C ATOM 745 CG GLU A 50 -15.116 2.052 -6.009 1.00 0.00 C ATOM 746 CD GLU A 50 -16.082 3.201 -6.221 1.00 0.00 C ATOM 747 OE1 GLU A 50 -15.779 4.086 -7.048 1.00 0.00 O ATOM 748 OE2 GLU A 50 -17.142 3.217 -5.559 1.00 0.00 O ATOM 0 H GLU A 50 -15.004 1.962 -3.471 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.036 0.637 -4.783 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.825 3.549 -5.192 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.063 2.519 -6.388 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.007 1.497 -6.941 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.532 1.363 -5.274 1.00 0.00 H new ATOM 755 N SER A 51 -11.772 3.070 -3.025 1.00 0.00 N ATOM 756 CA SER A 51 -10.535 3.664 -2.532 1.00 0.00 C ATOM 757 C SER A 51 -9.492 2.593 -2.217 1.00 0.00 C ATOM 758 O SER A 51 -8.408 2.581 -2.798 1.00 0.00 O ATOM 759 CB SER A 51 -10.820 4.499 -1.288 1.00 0.00 C ATOM 760 OG SER A 51 -12.159 4.335 -0.854 1.00 0.00 O ATOM 0 H SER A 51 -12.611 3.386 -2.538 1.00 0.00 H new ATOM 0 HA SER A 51 -10.131 4.306 -3.315 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.138 4.209 -0.489 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.631 5.551 -1.502 1.00 0.00 H new ATOM 0 HG SER A 51 -12.313 4.880 -0.054 1.00 0.00 H new ATOM 766 N GLU A 52 -9.820 1.688 -1.299 1.00 0.00 N ATOM 767 CA GLU A 52 -8.907 0.622 -0.936 1.00 0.00 C ATOM 768 C GLU A 52 -8.463 -0.134 -2.192 1.00 0.00 C ATOM 769 O GLU A 52 -7.293 -0.497 -2.343 1.00 0.00 O ATOM 770 CB GLU A 52 -9.588 -0.317 0.057 1.00 0.00 C ATOM 771 CG GLU A 52 -10.288 0.403 1.202 1.00 0.00 C ATOM 772 CD GLU A 52 -9.471 0.416 2.477 1.00 0.00 C ATOM 773 OE1 GLU A 52 -8.270 0.750 2.409 1.00 0.00 O ATOM 774 OE2 GLU A 52 -10.033 0.097 3.545 1.00 0.00 O ATOM 0 H GLU A 52 -10.708 1.676 -0.798 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.020 1.043 -0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.317 -0.928 -0.476 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.843 -0.997 0.469 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.502 1.429 0.903 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.246 -0.079 1.395 1.00 0.00 H new ATOM 781 N LYS A 53 -9.415 -0.346 -3.099 1.00 0.00 N ATOM 782 CA LYS A 53 -9.154 -1.038 -4.360 1.00 0.00 C ATOM 783 C LYS A 53 -8.151 -0.259 -5.214 1.00 0.00 C ATOM 784 O LYS A 53 -7.035 -0.729 -5.465 1.00 0.00 O ATOM 785 CB LYS A 53 -10.482 -1.237 -5.114 1.00 0.00 C ATOM 786 CG LYS A 53 -10.378 -1.228 -6.639 1.00 0.00 C ATOM 787 CD LYS A 53 -11.487 -0.396 -7.267 1.00 0.00 C ATOM 788 CE LYS A 53 -12.303 -1.207 -8.264 1.00 0.00 C ATOM 789 NZ LYS A 53 -11.956 -0.871 -9.674 1.00 0.00 N ATOM 0 H LYS A 53 -10.383 -0.045 -2.982 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.714 -2.012 -4.149 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.919 -2.186 -4.802 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.174 -0.452 -4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.409 -0.828 -6.937 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.431 -2.250 -7.015 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.143 -0.014 -6.485 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.053 0.469 -7.769 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.133 -2.270 -8.092 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.365 -1.023 -8.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.534 -1.445 -10.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.142 0.138 -9.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.949 -1.070 -9.841 1.00 0.00 H new ATOM 803 N VAL A 54 -8.548 0.934 -5.662 1.00 0.00 N ATOM 804 CA VAL A 54 -7.681 1.760 -6.478 1.00 0.00 C ATOM 805 C VAL A 54 -6.323 1.919 -5.812 1.00 0.00 C ATOM 806 O VAL A 54 -5.286 1.853 -6.470 1.00 0.00 O ATOM 807 CB VAL A 54 -8.293 3.147 -6.746 1.00 0.00 C ATOM 808 CG1 VAL A 54 -9.222 3.099 -7.949 1.00 0.00 C ATOM 809 CG2 VAL A 54 -9.022 3.683 -5.522 1.00 0.00 C ATOM 0 H VAL A 54 -9.463 1.341 -5.470 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.562 1.255 -7.437 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.475 3.833 -6.967 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.645 4.089 -8.122 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.661 2.785 -8.829 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.027 2.389 -7.759 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.441 4.663 -5.748 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.826 2.999 -5.249 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.322 3.771 -4.691 1.00 0.00 H new ATOM 819 N PHE A 55 -6.336 2.099 -4.494 1.00 0.00 N ATOM 820 CA PHE A 55 -5.098 2.233 -3.740 1.00 0.00 C ATOM 821 C PHE A 55 -4.226 1.009 -3.981 1.00 0.00 C ATOM 822 O PHE A 55 -3.028 1.123 -4.236 1.00 0.00 O ATOM 823 CB PHE A 55 -5.384 2.392 -2.245 1.00 0.00 C ATOM 824 CG PHE A 55 -4.265 3.041 -1.469 1.00 0.00 C ATOM 825 CD1 PHE A 55 -3.029 3.283 -2.054 1.00 0.00 C ATOM 826 CD2 PHE A 55 -4.454 3.408 -0.147 1.00 0.00 C ATOM 827 CE1 PHE A 55 -2.009 3.877 -1.335 1.00 0.00 C ATOM 828 CE2 PHE A 55 -3.438 4.002 0.577 1.00 0.00 C ATOM 829 CZ PHE A 55 -2.214 4.237 -0.017 1.00 0.00 C ATOM 0 H PHE A 55 -7.185 2.155 -3.931 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.574 3.127 -4.079 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.290 2.985 -2.121 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.585 1.410 -1.818 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.863 3.003 -3.084 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.409 3.227 0.325 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.053 4.060 -1.803 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.601 4.282 1.607 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.419 4.701 0.547 1.00 0.00 H new ATOM 839 N ALA A 56 -4.841 -0.169 -3.928 1.00 0.00 N ATOM 840 CA ALA A 56 -4.110 -1.403 -4.174 1.00 0.00 C ATOM 841 C ALA A 56 -3.448 -1.345 -5.539 1.00 0.00 C ATOM 842 O ALA A 56 -2.225 -1.418 -5.657 1.00 0.00 O ATOM 843 CB ALA A 56 -5.041 -2.603 -4.092 1.00 0.00 C ATOM 0 H ALA A 56 -5.832 -0.293 -3.719 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.342 -1.513 -3.408 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.475 -3.516 -4.279 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.488 -2.650 -3.099 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.828 -2.505 -4.840 1.00 0.00 H new ATOM 849 N GLN A 57 -4.274 -1.196 -6.569 1.00 0.00 N ATOM 850 CA GLN A 57 -3.784 -1.114 -7.940 1.00 0.00 C ATOM 851 C GLN A 57 -2.610 -0.144 -8.053 1.00 0.00 C ATOM 852 O GLN A 57 -1.672 -0.384 -8.809 1.00 0.00 O ATOM 853 CB GLN A 57 -4.909 -0.674 -8.878 1.00 0.00 C ATOM 854 CG GLN A 57 -6.069 -1.653 -8.938 1.00 0.00 C ATOM 855 CD GLN A 57 -6.304 -2.196 -10.334 1.00 0.00 C ATOM 856 OE1 GLN A 57 -6.286 -1.451 -11.314 1.00 0.00 O ATOM 857 NE2 GLN A 57 -6.525 -3.502 -10.431 1.00 0.00 N ATOM 0 H GLN A 57 -5.288 -1.129 -6.480 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.437 -2.106 -8.229 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.281 0.298 -8.554 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.504 -0.542 -9.881 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.875 -2.482 -8.258 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.975 -1.159 -8.587 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.531 -4.082 -9.592 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.689 -3.925 -11.345 1.00 0.00 H new ATOM 866 N THR A 58 -2.671 0.953 -7.301 1.00 0.00 N ATOM 867 CA THR A 58 -1.612 1.957 -7.336 1.00 0.00 C ATOM 868 C THR A 58 -0.307 1.416 -6.766 1.00 0.00 C ATOM 869 O THR A 58 0.745 1.542 -7.391 1.00 0.00 O ATOM 870 CB THR A 58 -2.035 3.219 -6.576 1.00 0.00 C ATOM 871 OG1 THR A 58 -2.060 2.986 -5.182 1.00 0.00 O ATOM 872 CG2 THR A 58 -3.400 3.728 -6.985 1.00 0.00 C ATOM 0 H THR A 58 -3.438 1.168 -6.664 1.00 0.00 H new ATOM 0 HA THR A 58 -1.443 2.214 -8.382 1.00 0.00 H new ATOM 0 HB THR A 58 -1.290 3.973 -6.831 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.547 2.156 -4.998 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.642 4.623 -6.411 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.395 3.969 -8.048 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.148 2.959 -6.791 1.00 0.00 H new ATOM 880 N VAL A 59 -0.366 0.830 -5.573 1.00 0.00 N ATOM 881 CA VAL A 59 0.849 0.304 -4.951 1.00 0.00 C ATOM 882 C VAL A 59 1.487 -0.809 -5.775 1.00 0.00 C ATOM 883 O VAL A 59 2.696 -0.800 -5.975 1.00 0.00 O ATOM 884 CB VAL A 59 0.665 -0.222 -3.504 1.00 0.00 C ATOM 885 CG1 VAL A 59 1.428 0.651 -2.529 1.00 0.00 C ATOM 886 CG2 VAL A 59 -0.786 -0.320 -3.082 1.00 0.00 C ATOM 0 H VAL A 59 -1.219 0.708 -5.027 1.00 0.00 H new ATOM 0 HA VAL A 59 1.501 1.176 -4.911 1.00 0.00 H new ATOM 0 HB VAL A 59 1.065 -1.236 -3.491 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.291 0.271 -1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.488 0.637 -2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.055 1.673 -2.587 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.843 -0.694 -2.060 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.247 0.666 -3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.313 -1.002 -3.748 1.00 0.00 H new ATOM 896 N LEU A 60 0.696 -1.772 -6.249 1.00 0.00 N ATOM 897 CA LEU A 60 1.267 -2.868 -7.032 1.00 0.00 C ATOM 898 C LEU A 60 1.643 -2.387 -8.418 1.00 0.00 C ATOM 899 O LEU A 60 2.583 -2.894 -9.029 1.00 0.00 O ATOM 900 CB LEU A 60 0.335 -4.071 -7.097 1.00 0.00 C ATOM 901 CG LEU A 60 -0.728 -4.126 -6.012 1.00 0.00 C ATOM 902 CD1 LEU A 60 -2.095 -3.872 -6.615 1.00 0.00 C ATOM 903 CD2 LEU A 60 -0.682 -5.462 -5.291 1.00 0.00 C ATOM 0 H LEU A 60 -0.314 -1.817 -6.110 1.00 0.00 H new ATOM 0 HA LEU A 60 2.172 -3.201 -6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.160 -4.075 -8.068 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.935 -4.979 -7.041 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.529 -3.346 -5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.852 -3.913 -5.831 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.109 -2.887 -7.082 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.309 -4.633 -7.366 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.450 -5.485 -4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.862 -6.267 -6.004 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.298 -5.595 -4.833 1.00 0.00 H new ATOM 915 N SER A 61 0.930 -1.379 -8.895 1.00 0.00 N ATOM 916 CA SER A 61 1.229 -0.805 -10.199 1.00 0.00 C ATOM 917 C SER A 61 2.604 -0.152 -10.160 1.00 0.00 C ATOM 918 O SER A 61 3.482 -0.491 -10.953 1.00 0.00 O ATOM 919 CB SER A 61 0.173 0.216 -10.599 1.00 0.00 C ATOM 920 OG SER A 61 0.640 1.059 -11.638 1.00 0.00 O ATOM 0 H SER A 61 0.148 -0.944 -8.405 1.00 0.00 H new ATOM 0 HA SER A 61 1.225 -1.602 -10.943 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.730 -0.300 -10.925 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.099 0.819 -9.733 1.00 0.00 H new ATOM 0 HG SER A 61 -0.059 1.703 -11.876 1.00 0.00 H new ATOM 926 N HIS A 62 2.802 0.758 -9.204 1.00 0.00 N ATOM 927 CA HIS A 62 4.089 1.409 -9.047 1.00 0.00 C ATOM 928 C HIS A 62 5.102 0.387 -8.545 1.00 0.00 C ATOM 929 O HIS A 62 6.311 0.553 -8.705 1.00 0.00 O ATOM 930 CB HIS A 62 3.978 2.582 -8.075 1.00 0.00 C ATOM 931 CG HIS A 62 3.816 3.907 -8.756 1.00 0.00 C ATOM 932 ND1 HIS A 62 3.877 5.168 -8.268 1.00 0.00 N flip ATOM 933 CD2 HIS A 62 3.557 4.034 -10.106 1.00 0.00 C flip ATOM 934 CE1 HIS A 62 3.657 6.024 -9.319 1.00 0.00 C flip ATOM 935 NE2 HIS A 62 3.468 5.315 -10.416 1.00 0.00 N flip ATOM 0 H HIS A 62 2.090 1.054 -8.536 1.00 0.00 H new ATOM 0 HA HIS A 62 4.420 1.803 -10.008 1.00 0.00 H new ATOM 0 HB2 HIS A 62 3.128 2.416 -7.413 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.870 2.611 -7.449 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.445 3.214 -10.800 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.641 7.102 -9.258 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.284 5.692 -11.346 1.00 0.00 H new ATOM 944 N VAL A 63 4.580 -0.688 -7.954 1.00 0.00 N ATOM 945 CA VAL A 63 5.403 -1.768 -7.442 1.00 0.00 C ATOM 946 C VAL A 63 5.211 -3.017 -8.290 1.00 0.00 C ATOM 947 O VAL A 63 4.782 -4.061 -7.796 1.00 0.00 O ATOM 948 CB VAL A 63 5.063 -2.088 -5.982 1.00 0.00 C ATOM 949 CG1 VAL A 63 5.898 -3.238 -5.451 1.00 0.00 C ATOM 950 CG2 VAL A 63 5.233 -0.859 -5.113 1.00 0.00 C ATOM 0 H VAL A 63 3.579 -0.828 -7.820 1.00 0.00 H new ATOM 0 HA VAL A 63 6.443 -1.444 -7.490 1.00 0.00 H new ATOM 0 HB VAL A 63 4.018 -2.398 -5.948 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.628 -3.435 -4.413 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.712 -4.130 -6.050 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.955 -2.977 -5.508 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.987 -1.107 -4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.266 -0.515 -5.167 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.569 -0.070 -5.465 1.00 0.00 H new ATOM 960 N ALA A 64 5.528 -2.904 -9.574 1.00 0.00 N ATOM 961 CA ALA A 64 5.388 -4.023 -10.492 1.00 0.00 C ATOM 962 C ALA A 64 6.578 -4.983 -10.379 1.00 0.00 C ATOM 963 O ALA A 64 6.865 -5.738 -11.308 1.00 0.00 O ATOM 964 CB ALA A 64 5.257 -3.512 -11.919 1.00 0.00 C ATOM 0 H ALA A 64 5.883 -2.049 -10.001 1.00 0.00 H new ATOM 0 HA ALA A 64 4.486 -4.573 -10.225 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.153 -4.357 -12.600 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.378 -2.872 -11.997 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.146 -2.940 -12.184 1.00 0.00 H new ATOM 970 N ASN A 65 7.272 -4.940 -9.235 1.00 0.00 N ATOM 971 CA ASN A 65 8.438 -5.790 -8.987 1.00 0.00 C ATOM 972 C ASN A 65 9.231 -5.270 -7.786 1.00 0.00 C ATOM 973 O ASN A 65 9.509 -6.011 -6.843 1.00 0.00 O ATOM 974 CB ASN A 65 9.348 -5.844 -10.222 1.00 0.00 C ATOM 975 CG ASN A 65 9.385 -7.222 -10.853 1.00 0.00 C ATOM 976 OD1 ASN A 65 10.427 -7.986 -10.545 1.00 0.00 O flip ATOM 977 ND2 ASN A 65 8.487 -7.597 -11.608 1.00 0.00 N flip ATOM 0 H ASN A 65 7.041 -4.318 -8.460 1.00 0.00 H new ATOM 0 HA ASN A 65 8.080 -6.797 -8.772 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.000 -5.119 -10.958 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.359 -5.550 -9.938 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.705 -6.977 -11.817 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.526 -8.528 -12.024 1.00 0.00 H new ATOM 984 N VAL A 66 9.585 -3.984 -7.833 1.00 0.00 N ATOM 985 CA VAL A 66 10.342 -3.335 -6.758 1.00 0.00 C ATOM 986 C VAL A 66 11.492 -4.218 -6.254 1.00 0.00 C ATOM 987 O VAL A 66 12.224 -4.792 -7.060 1.00 0.00 O ATOM 988 CB VAL A 66 9.414 -2.929 -5.598 1.00 0.00 C ATOM 989 CG1 VAL A 66 8.420 -1.888 -6.074 1.00 0.00 C ATOM 990 CG2 VAL A 66 8.704 -4.147 -5.021 1.00 0.00 C ATOM 0 H VAL A 66 9.357 -3.366 -8.612 1.00 0.00 H new ATOM 0 HA VAL A 66 10.785 -2.431 -7.176 1.00 0.00 H new ATOM 0 HB VAL A 66 10.015 -2.493 -4.800 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.766 -1.605 -5.249 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.957 -1.009 -6.430 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.821 -2.301 -6.886 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.054 -3.836 -4.203 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.106 -4.622 -5.799 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.443 -4.856 -4.648 1.00 0.00 H new ATOM 1000 N VAL A 67 11.664 -4.332 -4.932 1.00 0.00 N ATOM 1001 CA VAL A 67 12.747 -5.158 -4.389 1.00 0.00 C ATOM 1002 C VAL A 67 12.449 -5.621 -2.974 1.00 0.00 C ATOM 1003 O VAL A 67 12.850 -6.708 -2.566 1.00 0.00 O ATOM 1004 CB VAL A 67 14.105 -4.423 -4.418 1.00 0.00 C ATOM 1005 CG1 VAL A 67 14.227 -3.442 -3.259 1.00 0.00 C ATOM 1006 CG2 VAL A 67 15.248 -5.425 -4.396 1.00 0.00 C ATOM 0 H VAL A 67 11.081 -3.873 -4.232 1.00 0.00 H new ATOM 0 HA VAL A 67 12.813 -6.033 -5.036 1.00 0.00 H new ATOM 0 HB VAL A 67 14.160 -3.850 -5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.194 -2.940 -3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.430 -2.701 -3.324 1.00 0.00 H new ATOM 0 HG13 VAL A 67 14.145 -3.982 -2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 67 16.199 -4.893 -4.417 1.00 0.00 H new ATOM 0 HG22 VAL A 67 15.188 -6.025 -3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 67 15.178 -6.076 -5.267 1.00 0.00 H new ATOM 1016 N LEU A 68 11.732 -4.791 -2.247 1.00 0.00 N ATOM 1017 CA LEU A 68 11.334 -5.086 -0.875 1.00 0.00 C ATOM 1018 C LEU A 68 12.415 -5.811 -0.083 1.00 0.00 C ATOM 1019 O LEU A 68 12.546 -7.032 -0.167 1.00 0.00 O ATOM 1020 CB LEU A 68 10.058 -5.928 -0.882 1.00 0.00 C ATOM 1021 CG LEU A 68 8.917 -5.370 -1.734 1.00 0.00 C ATOM 1022 CD1 LEU A 68 8.291 -6.469 -2.582 1.00 0.00 C ATOM 1023 CD2 LEU A 68 7.868 -4.711 -0.849 1.00 0.00 C ATOM 0 H LEU A 68 11.404 -3.887 -2.587 1.00 0.00 H new ATOM 0 HA LEU A 68 11.163 -4.129 -0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.303 -6.928 -1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.706 -6.035 0.144 1.00 0.00 H new ATOM 0 HG LEU A 68 9.326 -4.615 -2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.482 -6.051 -3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.047 -6.895 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.896 -7.249 -1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.063 -4.319 -1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.465 -5.447 -0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.325 -3.895 -0.289 1.00 0.00 H new ATOM 1035 N THR A 69 13.161 -5.060 0.716 1.00 0.00 N ATOM 1036 CA THR A 69 14.197 -5.647 1.550 1.00 0.00 C ATOM 1037 C THR A 69 13.546 -6.393 2.709 1.00 0.00 C ATOM 1038 O THR A 69 12.320 -6.438 2.808 1.00 0.00 O ATOM 1039 CB THR A 69 15.140 -4.565 2.079 1.00 0.00 C ATOM 1040 OG1 THR A 69 14.477 -3.734 3.015 1.00 0.00 O ATOM 1041 CG2 THR A 69 15.700 -3.674 0.991 1.00 0.00 C ATOM 0 H THR A 69 13.068 -4.048 0.803 1.00 0.00 H new ATOM 0 HA THR A 69 14.784 -6.345 0.953 1.00 0.00 H new ATOM 0 HB THR A 69 15.964 -5.105 2.545 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.747 -3.984 3.923 1.00 0.00 H new ATOM 0 HG21 THR A 69 16.360 -2.929 1.435 1.00 0.00 H new ATOM 0 HG22 THR A 69 16.262 -4.279 0.279 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.882 -3.172 0.475 1.00 0.00 H new ATOM 1049 N GLN A 70 14.359 -6.975 3.584 1.00 0.00 N ATOM 1050 CA GLN A 70 13.836 -7.714 4.732 1.00 0.00 C ATOM 1051 C GLN A 70 12.718 -6.931 5.424 1.00 0.00 C ATOM 1052 O GLN A 70 11.759 -7.513 5.939 1.00 0.00 O ATOM 1053 CB GLN A 70 14.961 -8.014 5.728 1.00 0.00 C ATOM 1054 CG GLN A 70 15.474 -6.785 6.464 1.00 0.00 C ATOM 1055 CD GLN A 70 16.026 -5.729 5.526 1.00 0.00 C ATOM 1056 OE1 GLN A 70 15.429 -4.667 5.346 1.00 0.00 O ATOM 1057 NE2 GLN A 70 17.173 -6.016 4.921 1.00 0.00 N ATOM 0 H GLN A 70 15.377 -6.951 3.523 1.00 0.00 H new ATOM 0 HA GLN A 70 13.422 -8.655 4.369 1.00 0.00 H new ATOM 0 HB2 GLN A 70 14.603 -8.740 6.458 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.790 -8.480 5.196 1.00 0.00 H new ATOM 0 HG2 GLN A 70 14.664 -6.355 7.053 1.00 0.00 H new ATOM 0 HG3 GLN A 70 16.253 -7.085 7.165 1.00 0.00 H new ATOM 0 HE21 GLN A 70 17.634 -6.908 5.099 1.00 0.00 H new ATOM 0 HE22 GLN A 70 17.593 -5.344 4.278 1.00 0.00 H new ATOM 1066 N GLU A 71 12.850 -5.607 5.421 1.00 0.00 N ATOM 1067 CA GLU A 71 11.859 -4.736 6.041 1.00 0.00 C ATOM 1068 C GLU A 71 10.522 -4.832 5.318 1.00 0.00 C ATOM 1069 O GLU A 71 9.523 -5.254 5.900 1.00 0.00 O ATOM 1070 CB GLU A 71 12.349 -3.287 6.041 1.00 0.00 C ATOM 1071 CG GLU A 71 11.560 -2.377 6.969 1.00 0.00 C ATOM 1072 CD GLU A 71 12.214 -2.220 8.328 1.00 0.00 C ATOM 1073 OE1 GLU A 71 13.304 -1.615 8.396 1.00 0.00 O ATOM 1074 OE2 GLU A 71 11.635 -2.703 9.324 1.00 0.00 O ATOM 0 H GLU A 71 13.635 -5.115 4.995 1.00 0.00 H new ATOM 0 HA GLU A 71 11.719 -5.064 7.071 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.399 -3.267 6.333 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.293 -2.893 5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.454 -1.396 6.506 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.555 -2.779 7.098 1.00 0.00 H new ATOM 1081 N ASP A 72 10.506 -4.436 4.048 1.00 0.00 N ATOM 1082 CA ASP A 72 9.283 -4.480 3.255 1.00 0.00 C ATOM 1083 C ASP A 72 8.694 -5.891 3.245 1.00 0.00 C ATOM 1084 O ASP A 72 7.482 -6.065 3.333 1.00 0.00 O ATOM 1085 CB ASP A 72 9.541 -4.003 1.828 1.00 0.00 C ATOM 1086 CG ASP A 72 10.415 -2.765 1.775 1.00 0.00 C ATOM 1087 OD1 ASP A 72 11.549 -2.815 2.298 1.00 0.00 O ATOM 1088 OD2 ASP A 72 9.966 -1.745 1.211 1.00 0.00 O ATOM 0 H ASP A 72 11.322 -4.083 3.549 1.00 0.00 H new ATOM 0 HA ASP A 72 8.561 -3.807 3.716 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.017 -4.804 1.262 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.589 -3.792 1.342 1.00 0.00 H new ATOM 1093 N THR A 73 9.555 -6.904 3.160 1.00 0.00 N ATOM 1094 CA THR A 73 9.087 -8.288 3.170 1.00 0.00 C ATOM 1095 C THR A 73 8.250 -8.526 4.423 1.00 0.00 C ATOM 1096 O THR A 73 7.051 -8.836 4.345 1.00 0.00 O ATOM 1097 CB THR A 73 10.266 -9.261 3.125 1.00 0.00 C ATOM 1098 OG1 THR A 73 11.373 -8.678 2.462 1.00 0.00 O ATOM 1099 CG2 THR A 73 9.942 -10.559 2.419 1.00 0.00 C ATOM 0 H THR A 73 10.566 -6.795 3.084 1.00 0.00 H new ATOM 0 HA THR A 73 8.475 -8.463 2.285 1.00 0.00 H new ATOM 0 HB THR A 73 10.500 -9.479 4.167 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.818 -8.044 3.063 1.00 0.00 H new ATOM 0 HG21 THR A 73 10.821 -11.204 2.422 1.00 0.00 H new ATOM 0 HG22 THR A 73 9.123 -11.059 2.935 1.00 0.00 H new ATOM 0 HG23 THR A 73 9.649 -10.350 1.390 1.00 0.00 H new ATOM 1107 N ALA A 74 8.876 -8.329 5.585 1.00 0.00 N ATOM 1108 CA ALA A 74 8.173 -8.472 6.852 1.00 0.00 C ATOM 1109 C ALA A 74 6.971 -7.534 6.860 1.00 0.00 C ATOM 1110 O ALA A 74 5.948 -7.801 7.491 1.00 0.00 O ATOM 1111 CB ALA A 74 9.102 -8.164 8.016 1.00 0.00 C ATOM 0 H ALA A 74 9.859 -8.072 5.671 1.00 0.00 H new ATOM 0 HA ALA A 74 7.830 -9.501 6.964 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.559 -8.276 8.954 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.946 -8.854 8.000 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.468 -7.141 7.929 1.00 0.00 H new ATOM 1117 N LYS A 75 7.118 -6.438 6.122 1.00 0.00 N ATOM 1118 CA LYS A 75 6.080 -5.430 5.983 1.00 0.00 C ATOM 1119 C LYS A 75 4.824 -6.040 5.355 1.00 0.00 C ATOM 1120 O LYS A 75 3.731 -5.952 5.920 1.00 0.00 O ATOM 1121 CB LYS A 75 6.617 -4.299 5.106 1.00 0.00 C ATOM 1122 CG LYS A 75 6.169 -2.907 5.501 1.00 0.00 C ATOM 1123 CD LYS A 75 7.168 -2.240 6.431 1.00 0.00 C ATOM 1124 CE LYS A 75 8.482 -1.951 5.725 1.00 0.00 C ATOM 1125 NZ LYS A 75 8.277 -1.174 4.472 1.00 0.00 N ATOM 0 H LYS A 75 7.969 -6.226 5.601 1.00 0.00 H new ATOM 0 HA LYS A 75 5.809 -5.041 6.965 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.706 -4.332 5.126 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.311 -4.483 4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.041 -2.298 4.606 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.197 -2.962 5.990 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.747 -1.310 6.812 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.350 -2.883 7.292 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.139 -1.395 6.394 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.984 -2.890 5.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.198 -0.866 4.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.801 -1.772 3.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.688 -0.341 4.673 1.00 0.00 H new ATOM 1139 N LEU A 76 4.989 -6.665 4.186 1.00 0.00 N ATOM 1140 CA LEU A 76 3.865 -7.293 3.494 1.00 0.00 C ATOM 1141 C LEU A 76 3.250 -8.387 4.352 1.00 0.00 C ATOM 1142 O LEU A 76 2.044 -8.382 4.606 1.00 0.00 O ATOM 1143 CB LEU A 76 4.294 -7.887 2.150 1.00 0.00 C ATOM 1144 CG LEU A 76 4.723 -6.862 1.100 1.00 0.00 C ATOM 1145 CD1 LEU A 76 6.239 -6.765 1.028 1.00 0.00 C ATOM 1146 CD2 LEU A 76 4.144 -7.218 -0.260 1.00 0.00 C ATOM 0 H LEU A 76 5.884 -6.748 3.703 1.00 0.00 H new ATOM 0 HA LEU A 76 3.125 -6.514 3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.120 -8.577 2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.467 -8.473 1.748 1.00 0.00 H new ATOM 0 HG LEU A 76 4.334 -5.888 1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.521 -6.030 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.630 -6.459 1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.653 -7.737 0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.460 -6.478 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.501 -8.203 -0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.056 -7.229 -0.201 1.00 0.00 H new ATOM 1158 N LEU A 77 4.078 -9.331 4.800 1.00 0.00 N ATOM 1159 CA LEU A 77 3.576 -10.424 5.626 1.00 0.00 C ATOM 1160 C LEU A 77 2.900 -9.881 6.881 1.00 0.00 C ATOM 1161 O LEU A 77 1.975 -10.492 7.411 1.00 0.00 O ATOM 1162 CB LEU A 77 4.694 -11.404 5.995 1.00 0.00 C ATOM 1163 CG LEU A 77 5.767 -10.863 6.939 1.00 0.00 C ATOM 1164 CD1 LEU A 77 5.254 -10.818 8.371 1.00 0.00 C ATOM 1165 CD2 LEU A 77 7.023 -11.718 6.849 1.00 0.00 C ATOM 0 H LEU A 77 5.079 -9.361 4.609 1.00 0.00 H new ATOM 0 HA LEU A 77 2.835 -10.970 5.042 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.243 -12.284 6.454 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.178 -11.736 5.077 1.00 0.00 H new ATOM 0 HG LEU A 77 6.013 -9.845 6.636 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.035 -10.430 9.025 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.380 -10.169 8.424 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.979 -11.823 8.691 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.781 -11.323 7.526 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.785 -12.744 7.129 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.403 -11.699 5.828 1.00 0.00 H new ATOM 1177 N GLN A 78 3.356 -8.718 7.342 1.00 0.00 N ATOM 1178 CA GLN A 78 2.774 -8.091 8.523 1.00 0.00 C ATOM 1179 C GLN A 78 1.338 -7.666 8.240 1.00 0.00 C ATOM 1180 O GLN A 78 0.401 -8.117 8.901 1.00 0.00 O ATOM 1181 CB GLN A 78 3.605 -6.879 8.952 1.00 0.00 C ATOM 1182 CG GLN A 78 3.061 -6.174 10.184 1.00 0.00 C ATOM 1183 CD GLN A 78 3.719 -4.830 10.427 1.00 0.00 C ATOM 1184 OE1 GLN A 78 4.841 -4.586 9.985 1.00 0.00 O ATOM 1185 NE2 GLN A 78 3.022 -3.949 11.135 1.00 0.00 N ATOM 0 H GLN A 78 4.122 -8.195 6.918 1.00 0.00 H new ATOM 0 HA GLN A 78 2.774 -8.818 9.335 1.00 0.00 H new ATOM 0 HB2 GLN A 78 4.627 -7.201 9.150 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.649 -6.168 8.127 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.986 -6.033 10.072 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.210 -6.810 11.057 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.095 -4.193 11.482 1.00 0.00 H new ATOM 0 HE22 GLN A 78 3.414 -3.028 11.331 1.00 0.00 H new ATOM 1194 N SER A 79 1.173 -6.802 7.243 1.00 0.00 N ATOM 1195 CA SER A 79 -0.150 -6.323 6.863 1.00 0.00 C ATOM 1196 C SER A 79 -1.062 -7.489 6.489 1.00 0.00 C ATOM 1197 O SER A 79 -2.281 -7.408 6.636 1.00 0.00 O ATOM 1198 CB SER A 79 -0.044 -5.347 5.690 1.00 0.00 C ATOM 1199 OG SER A 79 0.359 -6.014 4.506 1.00 0.00 O ATOM 0 H SER A 79 1.937 -6.421 6.685 1.00 0.00 H new ATOM 0 HA SER A 79 -0.583 -5.805 7.719 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.007 -4.862 5.528 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.672 -4.561 5.930 1.00 0.00 H new ATOM 0 HG SER A 79 -0.395 -6.056 3.882 1.00 0.00 H new ATOM 1205 N THR A 80 -0.461 -8.572 6.003 1.00 0.00 N ATOM 1206 CA THR A 80 -1.218 -9.754 5.607 1.00 0.00 C ATOM 1207 C THR A 80 -1.572 -10.616 6.816 1.00 0.00 C ATOM 1208 O THR A 80 -2.746 -10.864 7.089 1.00 0.00 O ATOM 1209 CB THR A 80 -0.421 -10.579 4.595 1.00 0.00 C ATOM 1210 OG1 THR A 80 0.201 -9.738 3.640 1.00 0.00 O ATOM 1211 CG2 THR A 80 -1.267 -11.583 3.842 1.00 0.00 C ATOM 0 H THR A 80 0.547 -8.655 5.874 1.00 0.00 H new ATOM 0 HA THR A 80 -2.146 -9.417 5.145 1.00 0.00 H new ATOM 0 HB THR A 80 0.319 -11.121 5.184 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.122 -9.553 3.918 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.640 -12.134 3.141 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.720 -12.279 4.548 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.051 -11.060 3.294 1.00 0.00 H new ATOM 1219 N VAL A 81 -0.550 -11.075 7.534 1.00 0.00 N ATOM 1220 CA VAL A 81 -0.758 -11.916 8.710 1.00 0.00 C ATOM 1221 C VAL A 81 -1.676 -11.243 9.726 1.00 0.00 C ATOM 1222 O VAL A 81 -2.340 -11.918 10.513 1.00 0.00 O ATOM 1223 CB VAL A 81 0.576 -12.279 9.394 1.00 0.00 C ATOM 1224 CG1 VAL A 81 1.500 -12.992 8.418 1.00 0.00 C ATOM 1225 CG2 VAL A 81 1.247 -11.037 9.969 1.00 0.00 C ATOM 0 H VAL A 81 0.429 -10.879 7.323 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.233 -12.830 8.354 1.00 0.00 H new ATOM 0 HB VAL A 81 0.363 -12.958 10.220 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.436 -13.240 8.918 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.022 -13.907 8.067 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.704 -12.340 7.568 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.186 -11.319 10.446 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.446 -10.327 9.167 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.589 -10.576 10.706 1.00 0.00 H new ATOM 1235 N LYS A 82 -1.709 -9.910 9.708 1.00 0.00 N ATOM 1236 CA LYS A 82 -2.551 -9.150 10.633 1.00 0.00 C ATOM 1237 C LYS A 82 -3.949 -9.761 10.739 1.00 0.00 C ATOM 1238 O LYS A 82 -4.599 -9.671 11.780 1.00 0.00 O ATOM 1239 CB LYS A 82 -2.651 -7.691 10.182 1.00 0.00 C ATOM 1240 CG LYS A 82 -2.463 -6.690 11.311 1.00 0.00 C ATOM 1241 CD LYS A 82 -3.685 -6.631 12.214 1.00 0.00 C ATOM 1242 CE LYS A 82 -4.841 -5.906 11.544 1.00 0.00 C ATOM 1243 NZ LYS A 82 -5.882 -6.852 11.055 1.00 0.00 N ATOM 0 H LYS A 82 -1.164 -9.335 9.065 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.087 -9.190 11.618 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.900 -7.505 9.414 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.625 -7.528 9.722 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.588 -6.964 11.900 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.270 -5.702 10.894 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.993 -7.643 12.477 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.427 -6.124 13.144 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.289 -5.207 12.250 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.464 -5.317 10.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.930 -6.810 10.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.639 -7.819 11.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.805 -6.589 11.455 1.00 0.00 H new ATOM 1257 N HIS A 83 -4.400 -10.386 9.655 1.00 0.00 N ATOM 1258 CA HIS A 83 -5.715 -11.015 9.627 1.00 0.00 C ATOM 1259 C HIS A 83 -5.703 -12.254 8.735 1.00 0.00 C ATOM 1260 O HIS A 83 -4.954 -12.319 7.760 1.00 0.00 O ATOM 1261 CB HIS A 83 -6.769 -10.021 9.132 1.00 0.00 C ATOM 1262 CG HIS A 83 -8.020 -10.006 9.956 1.00 0.00 C ATOM 1263 ND1 HIS A 83 -8.322 -10.974 10.893 1.00 0.00 N ATOM 1264 CD2 HIS A 83 -9.052 -9.129 9.980 1.00 0.00 C ATOM 1265 CE1 HIS A 83 -9.483 -10.692 11.455 1.00 0.00 C ATOM 1266 NE2 HIS A 83 -9.947 -9.578 10.920 1.00 0.00 N ATOM 0 H HIS A 83 -3.874 -10.470 8.785 1.00 0.00 H new ATOM 0 HA HIS A 83 -5.968 -11.322 10.642 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -6.337 -9.020 9.126 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.027 -10.263 8.101 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -9.152 -8.242 9.373 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -9.971 -11.274 12.223 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -10.827 -9.124 11.165 1.00 0.00 H new ATOM 1275 N ASN A 84 -6.534 -13.234 9.075 1.00 0.00 N ATOM 1276 CA ASN A 84 -6.615 -14.469 8.303 1.00 0.00 C ATOM 1277 C ASN A 84 -7.084 -14.191 6.879 1.00 0.00 C ATOM 1278 O ASN A 84 -8.269 -14.315 6.570 1.00 0.00 O ATOM 1279 CB ASN A 84 -7.568 -15.457 8.980 1.00 0.00 C ATOM 1280 CG ASN A 84 -7.211 -15.702 10.433 1.00 0.00 C ATOM 1281 OD1 ASN A 84 -6.126 -15.338 10.888 1.00 0.00 O ATOM 1282 ND2 ASN A 84 -8.125 -16.321 11.171 1.00 0.00 N ATOM 0 H ASN A 84 -7.160 -13.197 9.879 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.617 -14.906 8.260 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.587 -15.075 8.919 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.550 -16.403 8.440 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -7.941 -16.512 12.156 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.011 -16.605 10.753 1.00 0.00 H new ATOM 1289 N LEU A 85 -6.146 -13.815 6.014 1.00 0.00 N ATOM 1290 CA LEU A 85 -6.466 -13.521 4.622 1.00 0.00 C ATOM 1291 C LEU A 85 -5.208 -13.169 3.834 1.00 0.00 C ATOM 1292 O LEU A 85 -4.564 -12.152 4.094 1.00 0.00 O ATOM 1293 CB LEU A 85 -7.473 -12.371 4.541 1.00 0.00 C ATOM 1294 CG LEU A 85 -7.816 -11.906 3.122 1.00 0.00 C ATOM 1295 CD1 LEU A 85 -9.324 -11.845 2.927 1.00 0.00 C ATOM 1296 CD2 LEU A 85 -7.185 -10.551 2.836 1.00 0.00 C ATOM 0 H LEU A 85 -5.160 -13.707 6.253 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.908 -14.414 4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.393 -12.679 5.038 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.077 -11.522 5.099 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.409 -12.631 2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.547 -11.513 1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.752 -12.835 3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.755 -11.144 3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.440 -10.237 1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.561 -9.817 3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.102 -10.627 2.931 1.00 0.00 H new ATOM 1308 N ASN A 86 -4.865 -14.014 2.867 1.00 0.00 N ATOM 1309 CA ASN A 86 -3.687 -13.792 2.036 1.00 0.00 C ATOM 1310 C ASN A 86 -4.092 -13.308 0.648 1.00 0.00 C ATOM 1311 O ASN A 86 -4.624 -14.074 -0.157 1.00 0.00 O ATOM 1312 CB ASN A 86 -2.866 -15.078 1.924 1.00 0.00 C ATOM 1313 CG ASN A 86 -1.587 -14.880 1.134 1.00 0.00 C ATOM 1314 OD1 ASN A 86 -0.655 -14.221 1.595 1.00 0.00 O ATOM 1315 ND2 ASN A 86 -1.536 -15.453 -0.063 1.00 0.00 N ATOM 0 H ASN A 86 -5.387 -14.860 2.639 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.076 -13.023 2.507 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.621 -15.437 2.923 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.469 -15.850 1.447 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.700 -15.356 -0.640 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.332 -15.990 -0.405 1.00 0.00 H new ATOM 1322 N ASN A 87 -3.845 -12.031 0.375 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.192 -11.444 -0.915 1.00 0.00 C ATOM 1324 C ASN A 87 -2.949 -10.996 -1.680 1.00 0.00 C ATOM 1325 O ASN A 87 -2.990 -10.818 -2.902 1.00 0.00 O ATOM 1326 CB ASN A 87 -5.134 -10.256 -0.715 1.00 0.00 C ATOM 1327 CG ASN A 87 -4.597 -9.259 0.294 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -3.415 -9.280 0.635 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -5.467 -8.380 0.776 1.00 0.00 N ATOM 0 H ASN A 87 -3.406 -11.383 1.029 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.693 -12.211 -1.505 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.291 -9.754 -1.670 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.107 -10.618 -0.382 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -5.165 -7.685 1.458 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -6.438 -8.400 0.464 1.00 0.00 H new ATOM 1336 N TYR A 88 -1.842 -10.799 -0.969 1.00 0.00 N ATOM 1337 CA TYR A 88 -0.622 -10.364 -1.609 1.00 0.00 C ATOM 1338 C TYR A 88 0.317 -11.536 -1.860 1.00 0.00 C ATOM 1339 O TYR A 88 0.428 -12.444 -1.036 1.00 0.00 O ATOM 1340 CB TYR A 88 0.064 -9.302 -0.750 1.00 0.00 C ATOM 1341 CG TYR A 88 -0.060 -7.910 -1.313 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -1.304 -7.326 -1.513 1.00 0.00 C ATOM 1343 CD2 TYR A 88 1.067 -7.188 -1.662 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -1.416 -6.056 -2.046 1.00 0.00 C ATOM 1345 CE2 TYR A 88 0.966 -5.922 -2.198 1.00 0.00 C ATOM 1346 CZ TYR A 88 -0.276 -5.360 -2.388 1.00 0.00 C ATOM 1347 OH TYR A 88 -0.381 -4.102 -2.933 1.00 0.00 O ATOM 0 H TYR A 88 -1.773 -10.934 0.040 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.877 -9.931 -2.576 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.366 -9.321 0.251 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.120 -9.553 -0.649 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.197 -7.872 -1.248 1.00 0.00 H new ATOM 0 HD2 TYR A 88 2.044 -7.624 -1.512 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.389 -5.612 -2.194 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.857 -5.374 -2.467 1.00 0.00 H new ATOM 0 HH TYR A 88 -1.206 -3.677 -2.618 1.00 0.00 H new ATOM 1357 N ASP A 89 0.993 -11.510 -3.004 1.00 0.00 N ATOM 1358 CA ASP A 89 1.914 -12.549 -3.370 1.00 0.00 C ATOM 1359 C ASP A 89 3.329 -11.967 -3.391 1.00 0.00 C ATOM 1360 O ASP A 89 3.554 -10.824 -3.813 1.00 0.00 O ATOM 1361 CB ASP A 89 1.468 -13.116 -4.719 1.00 0.00 C ATOM 1362 CG ASP A 89 2.606 -13.624 -5.592 1.00 0.00 C ATOM 1363 OD1 ASP A 89 3.594 -12.886 -5.783 1.00 0.00 O ATOM 1364 OD2 ASP A 89 2.504 -14.767 -6.086 1.00 0.00 O ATOM 0 H ASP A 89 0.909 -10.764 -3.694 1.00 0.00 H new ATOM 0 HA ASP A 89 1.923 -13.370 -2.653 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.768 -13.933 -4.543 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.925 -12.343 -5.263 1.00 0.00 H new ATOM 1369 N LEU A 90 4.271 -12.735 -2.898 1.00 0.00 N ATOM 1370 CA LEU A 90 5.651 -12.268 -2.816 1.00 0.00 C ATOM 1371 C LEU A 90 6.662 -13.329 -3.233 1.00 0.00 C ATOM 1372 O LEU A 90 6.475 -14.521 -2.989 1.00 0.00 O ATOM 1373 CB LEU A 90 5.960 -11.823 -1.381 1.00 0.00 C ATOM 1374 CG LEU A 90 5.508 -10.406 -1.009 1.00 0.00 C ATOM 1375 CD1 LEU A 90 5.700 -10.161 0.481 1.00 0.00 C ATOM 1376 CD2 LEU A 90 6.272 -9.374 -1.823 1.00 0.00 C ATOM 0 H LEU A 90 4.118 -13.681 -2.548 1.00 0.00 H new ATOM 0 HA LEU A 90 5.744 -11.434 -3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.490 -12.526 -0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.036 -11.894 -1.223 1.00 0.00 H new ATOM 0 HG LEU A 90 4.447 -10.309 -1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.374 -9.151 0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.110 -10.881 1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.754 -10.275 0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.939 -8.374 -1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.339 -9.470 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.086 -9.538 -2.885 1.00 0.00 H new ATOM 1388 N ARG A 91 7.758 -12.864 -3.826 1.00 0.00 N ATOM 1389 CA ARG A 91 8.849 -13.741 -4.246 1.00 0.00 C ATOM 1390 C ARG A 91 10.139 -13.232 -3.619 1.00 0.00 C ATOM 1391 O ARG A 91 10.312 -12.033 -3.488 1.00 0.00 O ATOM 1392 CB ARG A 91 8.974 -13.760 -5.771 1.00 0.00 C ATOM 1393 CG ARG A 91 8.034 -14.743 -6.448 1.00 0.00 C ATOM 1394 CD ARG A 91 8.473 -15.041 -7.872 1.00 0.00 C ATOM 1395 NE ARG A 91 8.734 -13.821 -8.632 1.00 0.00 N ATOM 1396 CZ ARG A 91 8.884 -13.788 -9.954 1.00 0.00 C ATOM 1397 NH1 ARG A 91 8.794 -14.904 -10.667 1.00 0.00 N ATOM 1398 NH2 ARG A 91 9.123 -12.636 -10.565 1.00 0.00 N ATOM 0 H ARG A 91 7.915 -11.877 -4.028 1.00 0.00 H new ATOM 0 HA ARG A 91 8.647 -14.760 -3.917 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.777 -12.759 -6.155 1.00 0.00 H new ATOM 0 HB3 ARG A 91 10.001 -14.009 -6.040 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.000 -15.670 -5.875 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.023 -14.336 -6.455 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.373 -15.655 -7.853 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.701 -15.623 -8.375 1.00 0.00 H new ATOM 0 HE ARG A 91 8.806 -12.942 -8.119 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.609 -15.793 -10.202 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.910 -14.873 -11.680 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.192 -11.775 -10.022 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.238 -12.610 -11.578 1.00 0.00 H new ATOM 1412 N SER A 92 11.036 -14.113 -3.199 1.00 0.00 N ATOM 1413 CA SER A 92 12.266 -13.640 -2.566 1.00 0.00 C ATOM 1414 C SER A 92 13.488 -13.751 -3.460 1.00 0.00 C ATOM 1415 O SER A 92 13.698 -14.743 -4.158 1.00 0.00 O ATOM 1416 CB SER A 92 12.539 -14.362 -1.255 1.00 0.00 C ATOM 1417 OG SER A 92 12.262 -15.748 -1.359 1.00 0.00 O ATOM 0 H SER A 92 10.945 -15.126 -3.279 1.00 0.00 H new ATOM 0 HA SER A 92 12.092 -12.582 -2.371 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.581 -14.218 -0.969 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.929 -13.926 -0.464 1.00 0.00 H new ATOM 0 HG SER A 92 12.449 -16.184 -0.502 1.00 0.00 H new ATOM 1423 N VAL A 93 14.299 -12.707 -3.384 1.00 0.00 N ATOM 1424 CA VAL A 93 15.539 -12.592 -4.114 1.00 0.00 C ATOM 1425 C VAL A 93 16.383 -11.510 -3.429 1.00 0.00 C ATOM 1426 O VAL A 93 16.481 -11.490 -2.199 1.00 0.00 O ATOM 1427 CB VAL A 93 15.289 -12.244 -5.599 1.00 0.00 C ATOM 1428 CG1 VAL A 93 14.609 -13.402 -6.314 1.00 0.00 C ATOM 1429 CG2 VAL A 93 14.458 -10.975 -5.719 1.00 0.00 C ATOM 0 H VAL A 93 14.102 -11.898 -2.795 1.00 0.00 H new ATOM 0 HA VAL A 93 16.066 -13.546 -4.105 1.00 0.00 H new ATOM 0 HB VAL A 93 16.253 -12.067 -6.077 1.00 0.00 H new ATOM 0 HG11 VAL A 93 14.442 -13.137 -7.358 1.00 0.00 H new ATOM 0 HG12 VAL A 93 15.245 -14.286 -6.261 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.653 -13.614 -5.836 1.00 0.00 H new ATOM 0 HG21 VAL A 93 14.293 -10.747 -6.772 1.00 0.00 H new ATOM 0 HG22 VAL A 93 13.498 -11.121 -5.224 1.00 0.00 H new ATOM 0 HG23 VAL A 93 14.987 -10.147 -5.247 1.00 0.00 H new ATOM 1439 N GLY A 94 16.957 -10.595 -4.203 1.00 0.00 N ATOM 1440 CA GLY A 94 17.750 -9.515 -3.630 1.00 0.00 C ATOM 1441 C GLY A 94 18.522 -9.924 -2.389 1.00 0.00 C ATOM 1442 O GLY A 94 18.667 -9.129 -1.463 1.00 0.00 O ATOM 0 H GLY A 94 16.889 -10.580 -5.221 1.00 0.00 H new ATOM 0 HA2 GLY A 94 18.451 -9.152 -4.381 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.091 -8.684 -3.381 1.00 0.00 H new ATOM 1446 N ASN A 95 18.993 -11.171 -2.356 1.00 0.00 N ATOM 1447 CA ASN A 95 19.717 -11.682 -1.194 1.00 0.00 C ATOM 1448 C ASN A 95 18.757 -11.767 -0.015 1.00 0.00 C ATOM 1449 O ASN A 95 18.388 -12.853 0.431 1.00 0.00 O ATOM 1450 CB ASN A 95 20.906 -10.779 -0.848 1.00 0.00 C ATOM 1451 CG ASN A 95 21.742 -11.335 0.288 1.00 0.00 C ATOM 1452 OD1 ASN A 95 22.432 -12.343 0.132 1.00 0.00 O ATOM 1453 ND2 ASN A 95 21.683 -10.679 1.442 1.00 0.00 N ATOM 0 H ASN A 95 18.887 -11.842 -3.117 1.00 0.00 H new ATOM 0 HA ASN A 95 20.110 -12.673 -1.424 1.00 0.00 H new ATOM 0 HB2 ASN A 95 21.534 -10.655 -1.731 1.00 0.00 H new ATOM 0 HB3 ASN A 95 20.540 -9.789 -0.576 1.00 0.00 H new ATOM 0 HD21 ASN A 95 22.223 -11.007 2.243 1.00 0.00 H new ATOM 0 HD22 ASN A 95 21.098 -9.848 1.527 1.00 0.00 H new ATOM 1460 N GLY A 96 18.326 -10.603 0.452 1.00 0.00 N ATOM 1461 CA GLY A 96 17.375 -10.527 1.538 1.00 0.00 C ATOM 1462 C GLY A 96 16.176 -9.680 1.149 1.00 0.00 C ATOM 1463 O GLY A 96 15.461 -9.167 2.010 1.00 0.00 O ATOM 0 H GLY A 96 18.625 -9.698 0.090 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.045 -11.530 1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.856 -10.101 2.419 1.00 0.00 H new ATOM 1467 N ASN A 97 15.965 -9.531 -0.163 1.00 0.00 N ATOM 1468 CA ASN A 97 14.857 -8.740 -0.686 1.00 0.00 C ATOM 1469 C ASN A 97 13.870 -9.629 -1.429 1.00 0.00 C ATOM 1470 O ASN A 97 14.173 -10.779 -1.726 1.00 0.00 O ATOM 1471 CB ASN A 97 15.347 -7.635 -1.620 1.00 0.00 C ATOM 1472 CG ASN A 97 16.777 -7.203 -1.344 1.00 0.00 C ATOM 1473 OD1 ASN A 97 17.553 -6.952 -2.266 1.00 0.00 O ATOM 1474 ND2 ASN A 97 17.129 -7.103 -0.068 1.00 0.00 N ATOM 0 H ASN A 97 16.553 -9.952 -0.882 1.00 0.00 H new ATOM 0 HA ASN A 97 14.360 -8.276 0.166 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.272 -7.981 -2.651 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.689 -6.771 -1.525 1.00 0.00 H new ATOM 0 HD21 ASN A 97 18.074 -6.809 0.179 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.455 -7.321 0.666 1.00 0.00 H new ATOM 1481 N SER A 98 12.688 -9.099 -1.720 1.00 0.00 N ATOM 1482 CA SER A 98 11.668 -9.860 -2.426 1.00 0.00 C ATOM 1483 C SER A 98 11.010 -9.026 -3.521 1.00 0.00 C ATOM 1484 O SER A 98 11.128 -7.808 -3.556 1.00 0.00 O ATOM 1485 CB SER A 98 10.608 -10.359 -1.441 1.00 0.00 C ATOM 1486 OG SER A 98 9.323 -10.408 -2.038 1.00 0.00 O ATOM 0 H SER A 98 12.414 -8.147 -1.478 1.00 0.00 H new ATOM 0 HA SER A 98 12.154 -10.714 -2.898 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.882 -11.352 -1.083 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.581 -9.703 -0.571 1.00 0.00 H new ATOM 0 HG SER A 98 9.216 -11.258 -2.514 1.00 0.00 H new ATOM 1492 N VAL A 99 10.299 -9.704 -4.400 1.00 0.00 N ATOM 1493 CA VAL A 99 9.600 -9.059 -5.488 1.00 0.00 C ATOM 1494 C VAL A 99 8.123 -9.004 -5.149 1.00 0.00 C ATOM 1495 O VAL A 99 7.617 -9.875 -4.428 1.00 0.00 O ATOM 1496 CB VAL A 99 9.826 -9.833 -6.803 1.00 0.00 C ATOM 1497 CG1 VAL A 99 8.520 -10.368 -7.376 1.00 0.00 C ATOM 1498 CG2 VAL A 99 10.549 -8.964 -7.821 1.00 0.00 C ATOM 0 H VAL A 99 10.191 -10.718 -4.378 1.00 0.00 H new ATOM 0 HA VAL A 99 9.981 -8.047 -5.626 1.00 0.00 H new ATOM 0 HB VAL A 99 10.456 -10.693 -6.573 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.722 -10.907 -8.302 1.00 0.00 H new ATOM 0 HG12 VAL A 99 8.057 -11.044 -6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.845 -9.537 -7.580 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.698 -9.529 -8.741 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.951 -8.078 -8.033 1.00 0.00 H new ATOM 0 HG23 VAL A 99 11.516 -8.662 -7.420 1.00 0.00 H new ATOM 1508 N LEU A 100 7.439 -7.972 -5.630 1.00 0.00 N ATOM 1509 CA LEU A 100 6.036 -7.813 -5.315 1.00 0.00 C ATOM 1510 C LEU A 100 5.104 -8.192 -6.444 1.00 0.00 C ATOM 1511 O LEU A 100 4.933 -7.457 -7.417 1.00 0.00 O ATOM 1512 CB LEU A 100 5.739 -6.392 -4.902 1.00 0.00 C ATOM 1513 CG LEU A 100 4.375 -6.156 -4.228 1.00 0.00 C ATOM 1514 CD1 LEU A 100 3.683 -7.463 -3.869 1.00 0.00 C ATOM 1515 CD2 LEU A 100 4.554 -5.303 -2.989 1.00 0.00 C ATOM 0 H LEU A 100 7.831 -7.246 -6.230 1.00 0.00 H new ATOM 0 HA LEU A 100 5.850 -8.504 -4.493 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.522 -6.062 -4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.800 -5.757 -5.786 1.00 0.00 H new ATOM 0 HG LEU A 100 3.738 -5.635 -4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.725 -7.249 -3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.519 -8.048 -4.774 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.310 -8.029 -3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.585 -5.140 -2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.217 -5.812 -2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.988 -4.343 -3.268 1.00 0.00 H new ATOM 1527 N VAL A 101 4.439 -9.312 -6.243 1.00 0.00 N ATOM 1528 CA VAL A 101 3.429 -9.792 -7.159 1.00 0.00 C ATOM 1529 C VAL A 101 2.209 -10.031 -6.296 1.00 0.00 C ATOM 1530 O VAL A 101 2.201 -10.921 -5.459 1.00 0.00 O ATOM 1531 CB VAL A 101 3.837 -11.092 -7.894 1.00 0.00 C ATOM 1532 CG1 VAL A 101 3.762 -10.895 -9.400 1.00 0.00 C ATOM 1533 CG2 VAL A 101 5.233 -11.541 -7.483 1.00 0.00 C ATOM 0 H VAL A 101 4.586 -9.916 -5.435 1.00 0.00 H new ATOM 0 HA VAL A 101 3.259 -9.066 -7.954 1.00 0.00 H new ATOM 0 HB VAL A 101 3.135 -11.876 -7.608 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.052 -11.818 -9.903 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.742 -10.633 -9.682 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.438 -10.093 -9.696 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.492 -12.456 -8.015 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.953 -10.761 -7.730 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.254 -11.727 -6.409 1.00 0.00 H new ATOM 1543 N SER A 102 1.216 -9.183 -6.384 1.00 0.00 N ATOM 1544 CA SER A 102 0.106 -9.345 -5.475 1.00 0.00 C ATOM 1545 C SER A 102 -1.210 -8.857 -5.998 1.00 0.00 C ATOM 1546 O SER A 102 -1.287 -8.058 -6.930 1.00 0.00 O ATOM 1547 CB SER A 102 0.410 -8.573 -4.194 1.00 0.00 C ATOM 1548 OG SER A 102 1.411 -9.212 -3.425 1.00 0.00 O ATOM 0 H SER A 102 1.149 -8.407 -7.042 1.00 0.00 H new ATOM 0 HA SER A 102 0.004 -10.419 -5.316 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.733 -7.563 -4.446 1.00 0.00 H new ATOM 0 HB3 SER A 102 -0.500 -8.478 -3.601 1.00 0.00 H new ATOM 0 HG SER A 102 1.506 -8.752 -2.565 1.00 0.00 H new ATOM 1554 N LEU A 103 -2.241 -9.304 -5.296 1.00 0.00 N ATOM 1555 CA LEU A 103 -3.595 -8.901 -5.548 1.00 0.00 C ATOM 1556 C LEU A 103 -4.589 -9.918 -5.028 1.00 0.00 C ATOM 1557 O LEU A 103 -5.023 -9.838 -3.880 1.00 0.00 O ATOM 1558 CB LEU A 103 -3.876 -8.538 -7.016 1.00 0.00 C ATOM 1559 CG LEU A 103 -4.023 -7.027 -7.293 1.00 0.00 C ATOM 1560 CD1 LEU A 103 -5.398 -6.700 -7.835 1.00 0.00 C ATOM 1561 CD2 LEU A 103 -3.784 -6.201 -6.041 1.00 0.00 C ATOM 0 H LEU A 103 -2.147 -9.966 -4.526 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.730 -7.977 -4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.067 -8.929 -7.633 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.790 -9.041 -7.331 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.267 -6.774 -8.037 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.471 -5.628 -8.020 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.560 -7.241 -8.767 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.155 -6.995 -7.108 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.896 -5.143 -6.276 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.508 -6.482 -5.276 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.776 -6.385 -5.671 1.00 0.00 H new ATOM 1573 N ARG A 104 -4.964 -10.861 -5.868 1.00 0.00 N ATOM 1574 CA ARG A 104 -5.930 -11.875 -5.465 1.00 0.00 C ATOM 1575 C ARG A 104 -7.261 -11.210 -5.086 1.00 0.00 C ATOM 1576 O ARG A 104 -8.136 -11.839 -4.494 1.00 0.00 O ATOM 1577 CB ARG A 104 -5.369 -12.659 -4.273 1.00 0.00 C ATOM 1578 CG ARG A 104 -4.795 -14.017 -4.641 1.00 0.00 C ATOM 1579 CD ARG A 104 -3.516 -13.885 -5.453 1.00 0.00 C ATOM 1580 NE ARG A 104 -2.335 -14.267 -4.681 1.00 0.00 N ATOM 1581 CZ ARG A 104 -2.117 -15.496 -4.218 1.00 0.00 C ATOM 1582 NH1 ARG A 104 -2.991 -16.467 -4.452 1.00 0.00 N ATOM 1583 NH2 ARG A 104 -1.021 -15.755 -3.519 1.00 0.00 N ATOM 0 H ARG A 104 -4.622 -10.951 -6.825 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.109 -12.560 -6.294 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.591 -12.065 -3.794 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -6.161 -12.798 -3.538 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -4.593 -14.585 -3.733 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.532 -14.581 -5.212 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -3.585 -14.511 -6.343 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.408 -12.856 -5.795 1.00 0.00 H new ATOM 0 HE ARG A 104 -1.637 -13.550 -4.486 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -3.836 -16.274 -4.990 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -2.818 -17.406 -4.094 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.345 -15.013 -3.336 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -0.853 -16.696 -3.164 1.00 0.00 H new ATOM 1597 N SER A 105 -7.375 -9.920 -5.433 1.00 0.00 N ATOM 1598 CA SER A 105 -8.546 -9.086 -5.151 1.00 0.00 C ATOM 1599 C SER A 105 -8.094 -7.630 -5.186 1.00 0.00 C ATOM 1600 O SER A 105 -6.894 -7.365 -5.107 1.00 0.00 O ATOM 1601 CB SER A 105 -9.155 -9.404 -3.784 1.00 0.00 C ATOM 1602 OG SER A 105 -10.566 -9.284 -3.812 1.00 0.00 O ATOM 0 H SER A 105 -6.638 -9.419 -5.928 1.00 0.00 H new ATOM 0 HA SER A 105 -9.315 -9.282 -5.898 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.879 -10.416 -3.486 1.00 0.00 H new ATOM 0 HB3 SER A 105 -8.745 -8.728 -3.034 1.00 0.00 H new ATOM 0 HG SER A 105 -10.814 -8.336 -3.802 1.00 0.00 H new ATOM 1608 N ASP A 106 -9.016 -6.679 -5.316 1.00 0.00 N ATOM 1609 CA ASP A 106 -8.602 -5.279 -5.372 1.00 0.00 C ATOM 1610 C ASP A 106 -8.937 -4.511 -4.094 1.00 0.00 C ATOM 1611 O ASP A 106 -10.063 -4.053 -3.903 1.00 0.00 O ATOM 1612 CB ASP A 106 -9.270 -4.596 -6.564 1.00 0.00 C ATOM 1613 CG ASP A 106 -8.320 -4.390 -7.725 1.00 0.00 C ATOM 1614 OD1 ASP A 106 -7.758 -5.390 -8.218 1.00 0.00 O ATOM 1615 OD2 ASP A 106 -8.140 -3.228 -8.145 1.00 0.00 O ATOM 0 H ASP A 106 -10.021 -6.842 -5.383 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.517 -5.269 -5.481 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -10.117 -5.197 -6.895 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.668 -3.631 -6.249 1.00 0.00 H new ATOM 1620 N GLN A 107 -7.921 -4.326 -3.256 1.00 0.00 N ATOM 1621 CA GLN A 107 -8.049 -3.561 -2.022 1.00 0.00 C ATOM 1622 C GLN A 107 -6.667 -3.306 -1.429 1.00 0.00 C ATOM 1623 O GLN A 107 -5.699 -3.963 -1.811 1.00 0.00 O ATOM 1624 CB GLN A 107 -8.963 -4.265 -1.024 1.00 0.00 C ATOM 1625 CG GLN A 107 -10.160 -3.414 -0.612 1.00 0.00 C ATOM 1626 CD GLN A 107 -11.189 -4.153 0.216 1.00 0.00 C ATOM 1627 OE1 GLN A 107 -10.957 -5.425 0.455 1.00 0.00 O flip ATOM 1628 NE2 GLN A 107 -12.175 -3.571 0.655 1.00 0.00 N flip ATOM 0 H GLN A 107 -6.986 -4.703 -3.414 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.511 -2.601 -2.252 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.320 -5.197 -1.461 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.388 -4.529 -0.136 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -9.803 -2.554 -0.045 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -10.642 -3.026 -1.509 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.319 -2.583 0.447 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.851 -4.075 1.229 1.00 0.00 H new ATOM 1637 N MET A 108 -6.564 -2.369 -0.495 1.00 0.00 N ATOM 1638 CA MET A 108 -5.273 -2.076 0.122 1.00 0.00 C ATOM 1639 C MET A 108 -5.408 -1.252 1.395 1.00 0.00 C ATOM 1640 O MET A 108 -6.302 -0.418 1.524 1.00 0.00 O ATOM 1641 CB MET A 108 -4.369 -1.346 -0.866 1.00 0.00 C ATOM 1642 CG MET A 108 -2.905 -1.342 -0.458 1.00 0.00 C ATOM 1643 SD MET A 108 -2.020 -2.802 -1.038 1.00 0.00 S ATOM 1644 CE MET A 108 -2.685 -4.069 0.038 1.00 0.00 C ATOM 0 H MET A 108 -7.343 -1.807 -0.152 1.00 0.00 H new ATOM 0 HA MET A 108 -4.829 -3.033 0.395 1.00 0.00 H new ATOM 0 HB2 MET A 108 -4.464 -1.813 -1.846 1.00 0.00 H new ATOM 0 HB3 MET A 108 -4.712 -0.317 -0.969 1.00 0.00 H new ATOM 0 HG2 MET A 108 -2.423 -0.448 -0.855 1.00 0.00 H new ATOM 0 HG3 MET A 108 -2.834 -1.287 0.628 1.00 0.00 H new ATOM 0 HE1 MET A 108 -1.940 -4.851 0.182 1.00 0.00 H new ATOM 0 HE2 MET A 108 -2.942 -3.630 1.002 1.00 0.00 H new ATOM 0 HE3 MET A 108 -3.579 -4.498 -0.415 1.00 0.00 H new ATOM 1654 N THR A 109 -4.488 -1.491 2.324 1.00 0.00 N ATOM 1655 CA THR A 109 -4.459 -0.776 3.592 1.00 0.00 C ATOM 1656 C THR A 109 -3.288 0.195 3.608 1.00 0.00 C ATOM 1657 O THR A 109 -2.383 0.094 2.780 1.00 0.00 O ATOM 1658 CB THR A 109 -4.332 -1.755 4.763 1.00 0.00 C ATOM 1659 OG1 THR A 109 -2.976 -2.095 4.993 1.00 0.00 O ATOM 1660 CG2 THR A 109 -5.093 -3.041 4.555 1.00 0.00 C ATOM 0 H THR A 109 -3.746 -2.183 2.219 1.00 0.00 H new ATOM 0 HA THR A 109 -5.393 -0.224 3.699 1.00 0.00 H new ATOM 0 HB THR A 109 -4.759 -1.231 5.618 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.919 -2.720 5.746 1.00 0.00 H new ATOM 0 HG21 THR A 109 -4.959 -3.687 5.422 1.00 0.00 H new ATOM 0 HG22 THR A 109 -6.153 -2.820 4.427 1.00 0.00 H new ATOM 0 HG23 THR A 109 -4.718 -3.546 3.665 1.00 0.00 H new ATOM 1668 N LEU A 110 -3.295 1.128 4.552 1.00 0.00 N ATOM 1669 CA LEU A 110 -2.211 2.093 4.651 1.00 0.00 C ATOM 1670 C LEU A 110 -0.875 1.371 4.790 1.00 0.00 C ATOM 1671 O LEU A 110 0.053 1.621 4.021 1.00 0.00 O ATOM 1672 CB LEU A 110 -2.429 3.040 5.830 1.00 0.00 C ATOM 1673 CG LEU A 110 -3.111 4.361 5.474 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -3.852 4.922 6.674 1.00 0.00 C ATOM 1675 CD2 LEU A 110 -2.086 5.362 4.965 1.00 0.00 C ATOM 0 H LEU A 110 -4.030 1.236 5.251 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.197 2.687 3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.029 2.529 6.582 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.463 3.257 6.287 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.837 4.173 4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.330 5.862 6.399 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.611 4.210 6.998 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.148 5.097 7.487 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -2.585 6.298 4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.340 5.544 5.738 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.598 4.963 4.076 1.00 0.00 H new ATOM 1687 N GLN A 111 -0.780 0.466 5.767 1.00 0.00 N ATOM 1688 CA GLN A 111 0.455 -0.290 5.976 1.00 0.00 C ATOM 1689 C GLN A 111 0.938 -0.880 4.655 1.00 0.00 C ATOM 1690 O GLN A 111 1.987 -0.499 4.137 1.00 0.00 O ATOM 1691 CB GLN A 111 0.243 -1.415 6.997 1.00 0.00 C ATOM 1692 CG GLN A 111 1.367 -2.449 7.014 1.00 0.00 C ATOM 1693 CD GLN A 111 2.594 -1.972 7.767 1.00 0.00 C ATOM 1694 OE1 GLN A 111 2.909 -2.475 8.846 1.00 0.00 O ATOM 1695 NE2 GLN A 111 3.294 -0.998 7.198 1.00 0.00 N ATOM 0 H GLN A 111 -1.533 0.241 6.417 1.00 0.00 H new ATOM 0 HA GLN A 111 1.209 0.394 6.365 1.00 0.00 H new ATOM 0 HB2 GLN A 111 0.148 -0.978 7.991 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -0.699 -1.919 6.779 1.00 0.00 H new ATOM 0 HG2 GLN A 111 1.001 -3.369 7.470 1.00 0.00 H new ATOM 0 HG3 GLN A 111 1.647 -2.691 5.989 1.00 0.00 H new ATOM 0 HE21 GLN A 111 2.995 -0.611 6.303 1.00 0.00 H new ATOM 0 HE22 GLN A 111 4.131 -0.636 7.656 1.00 0.00 H new ATOM 1704 N ASP A 112 0.152 -1.803 4.108 1.00 0.00 N ATOM 1705 CA ASP A 112 0.487 -2.435 2.838 1.00 0.00 C ATOM 1706 C ASP A 112 0.856 -1.373 1.813 1.00 0.00 C ATOM 1707 O ASP A 112 1.832 -1.508 1.076 1.00 0.00 O ATOM 1708 CB ASP A 112 -0.691 -3.270 2.333 1.00 0.00 C ATOM 1709 CG ASP A 112 -0.269 -4.662 1.904 1.00 0.00 C ATOM 1710 OD1 ASP A 112 0.730 -4.778 1.162 1.00 0.00 O ATOM 1711 OD2 ASP A 112 -0.937 -5.636 2.309 1.00 0.00 O ATOM 0 H ASP A 112 -0.720 -2.129 4.525 1.00 0.00 H new ATOM 0 HA ASP A 112 1.341 -3.096 2.987 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -1.442 -3.347 3.119 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -1.161 -2.760 1.492 1.00 0.00 H new ATOM 1716 N ALA A 113 0.071 -0.302 1.790 1.00 0.00 N ATOM 1717 CA ALA A 113 0.311 0.798 0.873 1.00 0.00 C ATOM 1718 C ALA A 113 1.752 1.294 0.981 1.00 0.00 C ATOM 1719 O ALA A 113 2.518 1.215 0.022 1.00 0.00 O ATOM 1720 CB ALA A 113 -0.665 1.933 1.145 1.00 0.00 C ATOM 0 H ALA A 113 -0.738 -0.175 2.398 1.00 0.00 H new ATOM 0 HA ALA A 113 0.154 0.437 -0.143 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -0.474 2.751 0.451 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.686 1.575 1.012 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -0.535 2.287 2.168 1.00 0.00 H new ATOM 1726 N LYS A 114 2.122 1.801 2.157 1.00 0.00 N ATOM 1727 CA LYS A 114 3.477 2.302 2.365 1.00 0.00 C ATOM 1728 C LYS A 114 4.497 1.182 2.205 1.00 0.00 C ATOM 1729 O LYS A 114 5.638 1.432 1.844 1.00 0.00 O ATOM 1730 CB LYS A 114 3.612 2.998 3.733 1.00 0.00 C ATOM 1731 CG LYS A 114 4.257 2.161 4.836 1.00 0.00 C ATOM 1732 CD LYS A 114 3.246 1.732 5.884 1.00 0.00 C ATOM 1733 CE LYS A 114 2.496 2.909 6.467 1.00 0.00 C ATOM 1734 NZ LYS A 114 1.145 3.064 5.862 1.00 0.00 N ATOM 0 H LYS A 114 1.510 1.875 2.970 1.00 0.00 H new ATOM 0 HA LYS A 114 3.681 3.051 1.600 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.198 3.908 3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.620 3.303 4.065 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.722 1.278 4.397 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.051 2.737 5.312 1.00 0.00 H new ATOM 0 HD2 LYS A 114 2.536 1.035 5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.758 1.197 6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.398 2.779 7.545 1.00 0.00 H new ATOM 0 HE3 LYS A 114 3.072 3.821 6.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.911 4.075 5.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 1.139 2.638 4.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.440 2.588 6.460 1.00 0.00 H new ATOM 1748 N VAL A 115 4.078 -0.054 2.464 1.00 0.00 N ATOM 1749 CA VAL A 115 4.969 -1.201 2.323 1.00 0.00 C ATOM 1750 C VAL A 115 5.533 -1.269 0.905 1.00 0.00 C ATOM 1751 O VAL A 115 6.747 -1.112 0.663 1.00 0.00 O ATOM 1752 CB VAL A 115 4.218 -2.520 2.595 1.00 0.00 C ATOM 1753 CG1 VAL A 115 5.078 -3.720 2.235 1.00 0.00 C ATOM 1754 CG2 VAL A 115 3.754 -2.599 4.035 1.00 0.00 C ATOM 0 H VAL A 115 3.133 -0.286 2.771 1.00 0.00 H new ATOM 0 HA VAL A 115 5.774 -1.075 3.047 1.00 0.00 H new ATOM 0 HB VAL A 115 3.333 -2.536 1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.525 -4.637 2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 115 5.338 -3.677 1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.989 -3.707 2.833 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.228 -3.540 4.197 1.00 0.00 H new ATOM 0 HG22 VAL A 115 4.617 -2.547 4.699 1.00 0.00 H new ATOM 0 HG23 VAL A 115 3.083 -1.767 4.247 1.00 0.00 H new ATOM 1764 N LEU A 116 4.630 -1.500 -0.036 1.00 0.00 N ATOM 1765 CA LEU A 116 5.005 -1.599 -1.425 1.00 0.00 C ATOM 1766 C LEU A 116 5.637 -0.299 -1.867 1.00 0.00 C ATOM 1767 O LEU A 116 6.633 -0.304 -2.568 1.00 0.00 O ATOM 1768 CB LEU A 116 3.789 -1.926 -2.302 1.00 0.00 C ATOM 1769 CG LEU A 116 2.859 -3.058 -1.815 1.00 0.00 C ATOM 1770 CD1 LEU A 116 3.476 -3.868 -0.683 1.00 0.00 C ATOM 1771 CD2 LEU A 116 1.511 -2.503 -1.384 1.00 0.00 C ATOM 0 H LEU A 116 3.633 -1.621 0.144 1.00 0.00 H new ATOM 0 HA LEU A 116 5.724 -2.410 -1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.193 -1.019 -2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.149 -2.188 -3.297 1.00 0.00 H new ATOM 0 HG LEU A 116 2.715 -3.731 -2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.783 -4.651 -0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.407 -4.321 -1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.681 -3.213 0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.873 -3.319 -1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.654 -1.792 -0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.038 -1.999 -2.227 1.00 0.00 H new ATOM 1783 N LEU A 117 5.058 0.812 -1.429 1.00 0.00 N ATOM 1784 CA LEU A 117 5.581 2.129 -1.769 1.00 0.00 C ATOM 1785 C LEU A 117 6.931 2.362 -1.119 1.00 0.00 C ATOM 1786 O LEU A 117 7.702 3.214 -1.555 1.00 0.00 O ATOM 1787 CB LEU A 117 4.598 3.221 -1.349 1.00 0.00 C ATOM 1788 CG LEU A 117 3.725 3.751 -2.481 1.00 0.00 C ATOM 1789 CD1 LEU A 117 2.265 3.403 -2.250 1.00 0.00 C ATOM 1790 CD2 LEU A 117 3.879 5.255 -2.621 1.00 0.00 C ATOM 0 H LEU A 117 4.227 0.827 -0.838 1.00 0.00 H new ATOM 0 HA LEU A 117 5.710 2.170 -2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.953 2.830 -0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 117 5.158 4.051 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 117 4.056 3.275 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.664 3.792 -3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.153 2.320 -2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.929 3.847 -1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 117 3.247 5.611 -3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 117 3.581 5.739 -1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.920 5.496 -2.838 1.00 0.00 H new ATOM 1802 N GLU A 118 7.234 1.577 -0.105 1.00 0.00 N ATOM 1803 CA GLU A 118 8.513 1.685 0.558 1.00 0.00 C ATOM 1804 C GLU A 118 9.535 1.100 -0.376 1.00 0.00 C ATOM 1805 O GLU A 118 10.592 1.683 -0.625 1.00 0.00 O ATOM 1806 CB GLU A 118 8.520 0.935 1.893 1.00 0.00 C ATOM 1807 CG GLU A 118 9.784 1.165 2.708 1.00 0.00 C ATOM 1808 CD GLU A 118 9.497 1.756 4.074 1.00 0.00 C ATOM 1809 OE1 GLU A 118 8.689 2.705 4.153 1.00 0.00 O ATOM 1810 OE2 GLU A 118 10.081 1.270 5.066 1.00 0.00 O ATOM 0 H GLU A 118 6.614 0.861 0.275 1.00 0.00 H new ATOM 0 HA GLU A 118 8.733 2.728 0.786 1.00 0.00 H new ATOM 0 HB2 GLU A 118 7.656 1.246 2.481 1.00 0.00 H new ATOM 0 HB3 GLU A 118 8.409 -0.132 1.702 1.00 0.00 H new ATOM 0 HG2 GLU A 118 10.311 0.219 2.829 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.449 1.832 2.160 1.00 0.00 H new ATOM 1817 N ALA A 119 9.170 -0.045 -0.939 1.00 0.00 N ATOM 1818 CA ALA A 119 10.028 -0.712 -1.900 1.00 0.00 C ATOM 1819 C ALA A 119 9.924 -0.032 -3.252 1.00 0.00 C ATOM 1820 O ALA A 119 10.866 -0.035 -4.047 1.00 0.00 O ATOM 1821 CB ALA A 119 9.667 -2.183 -2.012 1.00 0.00 C ATOM 0 H ALA A 119 8.291 -0.526 -0.746 1.00 0.00 H new ATOM 0 HA ALA A 119 11.059 -0.643 -1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.322 -2.664 -2.738 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.788 -2.662 -1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.631 -2.280 -2.338 1.00 0.00 H new ATOM 1827 N ALA A 120 8.765 0.558 -3.497 1.00 0.00 N ATOM 1828 CA ALA A 120 8.503 1.253 -4.733 1.00 0.00 C ATOM 1829 C ALA A 120 9.327 2.522 -4.812 1.00 0.00 C ATOM 1830 O ALA A 120 10.060 2.743 -5.773 1.00 0.00 O ATOM 1831 CB ALA A 120 7.026 1.579 -4.848 1.00 0.00 C ATOM 0 H ALA A 120 7.984 0.565 -2.841 1.00 0.00 H new ATOM 0 HA ALA A 120 8.785 0.604 -5.562 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.841 2.104 -5.785 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.447 0.656 -4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 120 6.727 2.212 -4.013 1.00 0.00 H new ATOM 1837 N LEU A 121 9.207 3.354 -3.789 1.00 0.00 N ATOM 1838 CA LEU A 121 9.947 4.597 -3.751 1.00 0.00 C ATOM 1839 C LEU A 121 11.442 4.305 -3.667 1.00 0.00 C ATOM 1840 O LEU A 121 12.245 4.913 -4.369 1.00 0.00 O ATOM 1841 CB LEU A 121 9.462 5.478 -2.584 1.00 0.00 C ATOM 1842 CG LEU A 121 10.363 5.559 -1.345 1.00 0.00 C ATOM 1843 CD1 LEU A 121 10.601 7.008 -0.946 1.00 0.00 C ATOM 1844 CD2 LEU A 121 9.723 4.801 -0.206 1.00 0.00 C ATOM 0 H LEU A 121 8.607 3.189 -2.981 1.00 0.00 H new ATOM 0 HA LEU A 121 9.767 5.156 -4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 121 9.316 6.490 -2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 121 8.485 5.112 -2.268 1.00 0.00 H new ATOM 0 HG LEU A 121 11.328 5.110 -1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 121 11.242 7.042 -0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 121 11.084 7.537 -1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 121 9.647 7.484 -0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 121 10.363 4.858 0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 121 8.752 5.239 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 121 9.592 3.757 -0.492 1.00 0.00 H new ATOM 1856 N ARG A 122 11.809 3.358 -2.806 1.00 0.00 N ATOM 1857 CA ARG A 122 13.207 2.984 -2.636 1.00 0.00 C ATOM 1858 C ARG A 122 13.839 2.550 -3.958 1.00 0.00 C ATOM 1859 O ARG A 122 14.961 2.942 -4.277 1.00 0.00 O ATOM 1860 CB ARG A 122 13.314 1.871 -1.585 1.00 0.00 C ATOM 1861 CG ARG A 122 14.233 0.719 -1.960 1.00 0.00 C ATOM 1862 CD ARG A 122 13.974 -0.499 -1.091 1.00 0.00 C ATOM 1863 NE ARG A 122 14.938 -0.603 -0.001 1.00 0.00 N ATOM 1864 CZ ARG A 122 14.809 0.019 1.170 1.00 0.00 C ATOM 1865 NH1 ARG A 122 13.760 0.798 1.406 1.00 0.00 N ATOM 1866 NH2 ARG A 122 15.734 -0.137 2.107 1.00 0.00 N ATOM 0 H ARG A 122 11.158 2.838 -2.218 1.00 0.00 H new ATOM 0 HA ARG A 122 13.760 3.858 -2.291 1.00 0.00 H new ATOM 0 HB2 ARG A 122 13.666 2.307 -0.650 1.00 0.00 H new ATOM 0 HB3 ARG A 122 12.317 1.474 -1.396 1.00 0.00 H new ATOM 0 HG2 ARG A 122 14.084 0.459 -3.008 1.00 0.00 H new ATOM 0 HG3 ARG A 122 15.272 1.030 -1.853 1.00 0.00 H new ATOM 0 HD2 ARG A 122 12.966 -0.444 -0.680 1.00 0.00 H new ATOM 0 HD3 ARG A 122 14.020 -1.399 -1.704 1.00 0.00 H new ATOM 0 HE ARG A 122 15.761 -1.188 -0.144 1.00 0.00 H new ATOM 0 HH11 ARG A 122 13.046 0.923 0.688 1.00 0.00 H new ATOM 0 HH12 ARG A 122 13.668 1.271 2.305 1.00 0.00 H new ATOM 0 HH21 ARG A 122 16.543 -0.733 1.931 1.00 0.00 H new ATOM 0 HH22 ARG A 122 15.637 0.339 3.004 1.00 0.00 H new ATOM 1880 N GLN A 123 13.133 1.707 -4.699 1.00 0.00 N ATOM 1881 CA GLN A 123 13.651 1.185 -5.959 1.00 0.00 C ATOM 1882 C GLN A 123 13.360 2.083 -7.165 1.00 0.00 C ATOM 1883 O GLN A 123 14.110 2.059 -8.141 1.00 0.00 O ATOM 1884 CB GLN A 123 13.078 -0.209 -6.216 1.00 0.00 C ATOM 1885 CG GLN A 123 13.734 -1.300 -5.385 1.00 0.00 C ATOM 1886 CD GLN A 123 15.131 -1.639 -5.866 1.00 0.00 C ATOM 1887 OE1 GLN A 123 16.111 -1.456 -5.143 1.00 0.00 O ATOM 1888 NE2 GLN A 123 15.230 -2.138 -7.092 1.00 0.00 N ATOM 0 H GLN A 123 12.203 1.370 -4.452 1.00 0.00 H new ATOM 0 HA GLN A 123 14.735 1.147 -5.851 1.00 0.00 H new ATOM 0 HB2 GLN A 123 12.009 -0.197 -6.006 1.00 0.00 H new ATOM 0 HB3 GLN A 123 13.193 -0.451 -7.273 1.00 0.00 H new ATOM 0 HG2 GLN A 123 13.780 -0.981 -4.344 1.00 0.00 H new ATOM 0 HG3 GLN A 123 13.115 -2.197 -5.416 1.00 0.00 H new ATOM 0 HE21 GLN A 123 14.392 -2.273 -7.657 1.00 0.00 H new ATOM 0 HE22 GLN A 123 16.145 -2.386 -7.469 1.00 0.00 H new ATOM 1897 N GLU A 124 12.267 2.843 -7.134 1.00 0.00 N ATOM 1898 CA GLU A 124 11.925 3.685 -8.284 1.00 0.00 C ATOM 1899 C GLU A 124 12.401 5.125 -8.153 1.00 0.00 C ATOM 1900 O GLU A 124 13.244 5.585 -8.925 1.00 0.00 O ATOM 1901 CB GLU A 124 10.414 3.705 -8.502 1.00 0.00 C ATOM 1902 CG GLU A 124 9.749 2.343 -8.359 1.00 0.00 C ATOM 1903 CD GLU A 124 9.233 1.805 -9.680 1.00 0.00 C ATOM 1904 OE1 GLU A 124 8.073 2.107 -10.031 1.00 0.00 O ATOM 1905 OE2 GLU A 124 9.989 1.081 -10.362 1.00 0.00 O ATOM 0 H GLU A 124 11.617 2.896 -6.349 1.00 0.00 H new ATOM 0 HA GLU A 124 12.442 3.237 -9.132 1.00 0.00 H new ATOM 0 HB2 GLU A 124 9.963 4.394 -7.788 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.206 4.096 -9.498 1.00 0.00 H new ATOM 0 HG2 GLU A 124 10.464 1.636 -7.937 1.00 0.00 H new ATOM 0 HG3 GLU A 124 8.922 2.419 -7.654 1.00 0.00 H new ATOM 1912 N SER A 125 11.818 5.848 -7.208 1.00 0.00 N ATOM 1913 CA SER A 125 12.143 7.254 -7.021 1.00 0.00 C ATOM 1914 C SER A 125 13.188 7.482 -5.935 1.00 0.00 C ATOM 1915 O SER A 125 14.297 7.940 -6.211 1.00 0.00 O ATOM 1916 CB SER A 125 10.864 8.023 -6.685 1.00 0.00 C ATOM 1917 OG SER A 125 9.789 7.138 -6.421 1.00 0.00 O ATOM 0 H SER A 125 11.119 5.485 -6.560 1.00 0.00 H new ATOM 0 HA SER A 125 12.576 7.618 -7.953 1.00 0.00 H new ATOM 0 HB2 SER A 125 11.036 8.659 -5.817 1.00 0.00 H new ATOM 0 HB3 SER A 125 10.603 8.680 -7.515 1.00 0.00 H new ATOM 0 HG SER A 125 9.135 7.192 -7.149 1.00 0.00 H new ATOM 1923 N GLY A 126 12.817 7.182 -4.701 1.00 0.00 N ATOM 1924 CA GLY A 126 13.716 7.382 -3.584 1.00 0.00 C ATOM 1925 C GLY A 126 13.729 8.823 -3.132 1.00 0.00 C ATOM 1926 O GLY A 126 14.645 9.579 -3.455 1.00 0.00 O ATOM 0 H GLY A 126 11.904 6.801 -4.452 1.00 0.00 H new ATOM 0 HA2 GLY A 126 13.414 6.743 -2.754 1.00 0.00 H new ATOM 0 HA3 GLY A 126 14.724 7.080 -3.869 1.00 0.00 H new ATOM 1930 N ALA A 127 12.684 9.200 -2.399 1.00 0.00 N ATOM 1931 CA ALA A 127 12.516 10.560 -1.897 1.00 0.00 C ATOM 1932 C ALA A 127 11.807 11.422 -2.930 1.00 0.00 C ATOM 1933 O ALA A 127 11.048 12.325 -2.578 1.00 0.00 O ATOM 1934 CB ALA A 127 13.852 11.178 -1.499 1.00 0.00 C ATOM 0 H ALA A 127 11.928 8.568 -2.136 1.00 0.00 H new ATOM 0 HA ALA A 127 11.898 10.513 -1.000 1.00 0.00 H new ATOM 0 HB1 ALA A 127 13.689 12.191 -1.130 1.00 0.00 H new ATOM 0 HB2 ALA A 127 14.312 10.576 -0.716 1.00 0.00 H new ATOM 0 HB3 ALA A 127 14.511 11.210 -2.367 1.00 0.00 H new ATOM 1940 N ARG A 128 12.047 11.120 -4.208 1.00 0.00 N ATOM 1941 CA ARG A 128 11.425 11.840 -5.318 1.00 0.00 C ATOM 1942 C ARG A 128 12.240 11.663 -6.593 1.00 0.00 C ATOM 1943 O ARG A 128 12.480 12.614 -7.337 1.00 0.00 O ATOM 1944 CB ARG A 128 11.302 13.327 -5.006 1.00 0.00 C ATOM 1945 CG ARG A 128 9.889 13.781 -4.709 1.00 0.00 C ATOM 1946 CD ARG A 128 9.665 15.221 -5.142 1.00 0.00 C ATOM 1947 NE ARG A 128 10.272 16.169 -4.210 1.00 0.00 N ATOM 1948 CZ ARG A 128 9.924 17.451 -4.125 1.00 0.00 C ATOM 1949 NH1 ARG A 128 8.979 17.944 -4.915 1.00 0.00 N ATOM 1950 NH2 ARG A 128 10.524 18.242 -3.246 1.00 0.00 N ATOM 0 H ARG A 128 12.676 10.372 -4.500 1.00 0.00 H new ATOM 0 HA ARG A 128 10.428 11.424 -5.462 1.00 0.00 H new ATOM 0 HB2 ARG A 128 11.935 13.561 -4.150 1.00 0.00 H new ATOM 0 HB3 ARG A 128 11.685 13.898 -5.852 1.00 0.00 H new ATOM 0 HG2 ARG A 128 9.181 13.131 -5.223 1.00 0.00 H new ATOM 0 HG3 ARG A 128 9.692 13.686 -3.641 1.00 0.00 H new ATOM 0 HD2 ARG A 128 10.084 15.371 -6.137 1.00 0.00 H new ATOM 0 HD3 ARG A 128 8.595 15.417 -5.214 1.00 0.00 H new ATOM 0 HE ARG A 128 11.005 15.828 -3.588 1.00 0.00 H new ATOM 0 HH11 ARG A 128 8.514 17.340 -5.593 1.00 0.00 H new ATOM 0 HH12 ARG A 128 8.717 18.927 -4.845 1.00 0.00 H new ATOM 0 HH21 ARG A 128 11.251 17.868 -2.636 1.00 0.00 H new ATOM 0 HH22 ARG A 128 10.258 19.225 -3.180 1.00 0.00 H new ATOM 1964 N GLY A 129 12.677 10.443 -6.824 1.00 0.00 N ATOM 1965 CA GLY A 129 13.481 10.154 -7.994 1.00 0.00 C ATOM 1966 C GLY A 129 14.789 10.919 -7.983 1.00 0.00 C ATOM 1967 O GLY A 129 15.452 11.044 -9.013 1.00 0.00 O ATOM 0 H GLY A 129 12.491 9.640 -6.223 1.00 0.00 H new ATOM 0 HA2 GLY A 129 13.686 9.084 -8.038 1.00 0.00 H new ATOM 0 HA3 GLY A 129 12.919 10.408 -8.893 1.00 0.00 H new ATOM 1971 N SER A 130 15.161 11.435 -6.812 1.00 0.00 N ATOM 1972 CA SER A 130 16.398 12.194 -6.669 1.00 0.00 C ATOM 1973 C SER A 130 16.577 12.672 -5.232 1.00 0.00 C ATOM 1974 O SER A 130 15.721 13.448 -4.757 1.00 0.00 O ATOM 1975 CB SER A 130 16.402 13.392 -7.621 1.00 0.00 C ATOM 1976 OG SER A 130 15.085 13.731 -8.020 1.00 0.00 O ATOM 0 H SER A 130 14.623 11.340 -5.951 1.00 0.00 H new ATOM 0 HA SER A 130 17.230 11.536 -6.923 1.00 0.00 H new ATOM 0 HB2 SER A 130 16.869 14.247 -7.132 1.00 0.00 H new ATOM 0 HB3 SER A 130 17.003 13.160 -8.500 1.00 0.00 H new ATOM 0 HG SER A 130 14.505 13.775 -7.231 1.00 0.00 H new TER 1982 SER A 130 HETATM 1983 C ACE B 201 -15.476 13.148 -8.499 1.00 0.00 C HETATM 1984 O ACE B 201 -16.164 12.247 -8.979 1.00 0.00 O HETATM 1985 CH3 ACE B 201 -15.502 14.552 -9.095 1.00 0.00 C HETATM 0 H1 ACE B 201 -15.837 15.262 -8.339 1.00 0.00 H new HETATM 0 H2 ACE B 201 -14.501 14.824 -9.430 1.00 0.00 H new HETATM 0 H3 ACE B 201 -16.187 14.575 -9.943 1.00 0.00 H new ATOM 1989 N ASP B 202 -14.679 12.967 -7.451 1.00 0.00 N ATOM 1990 CA ASP B 202 -14.852 13.728 -6.220 1.00 0.00 C ATOM 1991 C ASP B 202 -13.650 13.553 -5.298 1.00 0.00 C ATOM 1992 O ASP B 202 -13.663 12.715 -4.396 1.00 0.00 O ATOM 1993 CB ASP B 202 -16.133 13.293 -5.503 1.00 0.00 C ATOM 1994 CG ASP B 202 -16.944 14.472 -5.002 1.00 0.00 C ATOM 1995 OD1 ASP B 202 -17.520 15.195 -5.842 1.00 0.00 O ATOM 1996 OD2 ASP B 202 -17.003 14.673 -3.771 1.00 0.00 O ATOM 0 H ASP B 202 -13.907 12.300 -7.430 1.00 0.00 H new ATOM 0 HA ASP B 202 -14.932 14.783 -6.482 1.00 0.00 H new ATOM 0 HB2 ASP B 202 -16.743 12.699 -6.183 1.00 0.00 H new ATOM 0 HB3 ASP B 202 -15.875 12.650 -4.662 1.00 0.00 H new ATOM 2001 N GLU B 203 -12.612 14.351 -5.529 1.00 0.00 N ATOM 2002 CA GLU B 203 -11.402 14.285 -4.717 1.00 0.00 C ATOM 2003 C GLU B 203 -11.692 14.712 -3.280 1.00 0.00 C ATOM 2004 O GLU B 203 -12.851 14.831 -2.882 1.00 0.00 O ATOM 2005 CB GLU B 203 -10.309 15.171 -5.321 1.00 0.00 C ATOM 2006 CG GLU B 203 -10.622 16.658 -5.255 1.00 0.00 C ATOM 2007 CD GLU B 203 -9.475 17.472 -4.689 1.00 0.00 C ATOM 2008 OE1 GLU B 203 -8.945 17.090 -3.624 1.00 0.00 O ATOM 2009 OE2 GLU B 203 -9.106 18.490 -5.311 1.00 0.00 O ATOM 0 H GLU B 203 -12.585 15.050 -6.271 1.00 0.00 H new ATOM 0 HA GLU B 203 -11.053 13.253 -4.706 1.00 0.00 H new ATOM 0 HB2 GLU B 203 -9.371 14.983 -4.799 1.00 0.00 H new ATOM 0 HB3 GLU B 203 -10.157 14.886 -6.362 1.00 0.00 H new ATOM 0 HG2 GLU B 203 -10.860 17.020 -6.255 1.00 0.00 H new ATOM 0 HG3 GLU B 203 -11.509 16.812 -4.641 1.00 0.00 H new HETATM 2016 N PTR B 204 -10.636 14.940 -2.505 1.00 0.00 N HETATM 2017 CA PTR B 204 -10.787 15.352 -1.114 1.00 0.00 C HETATM 2018 C PTR B 204 -10.002 16.630 -0.830 1.00 0.00 C HETATM 2019 O PTR B 204 -10.590 17.696 -0.646 1.00 0.00 O HETATM 2020 CB PTR B 204 -10.320 14.230 -0.183 1.00 0.00 C HETATM 2021 CG PTR B 204 -11.057 12.926 -0.397 1.00 0.00 C HETATM 2022 CD1 PTR B 204 -10.501 11.902 -1.154 1.00 0.00 C HETATM 2023 CD2 PTR B 204 -12.312 12.721 0.162 1.00 0.00 C HETATM 2024 CE1 PTR B 204 -11.176 10.710 -1.348 1.00 0.00 C HETATM 2025 CE2 PTR B 204 -12.993 11.533 -0.028 1.00 0.00 C HETATM 2026 CZ PTR B 204 -12.421 10.532 -0.783 1.00 0.00 C HETATM 2027 OH PTR B 204 -13.098 9.347 -0.972 1.00 0.00 O HETATM 2028 P PTR B 204 -13.542 8.961 -2.420 1.00 0.00 P HETATM 2029 O1P PTR B 204 -13.428 10.272 -3.242 1.00 0.00 O HETATM 2030 O2P PTR B 204 -15.038 8.583 -2.280 1.00 0.00 O HETATM 2031 O3P PTR B 204 -12.720 7.847 -2.996 1.00 0.00 O HETATM 0 HE2 PTR B 204 -13.977 11.389 0.417 1.00 0.00 H new HETATM 0 HE1 PTR B 204 -10.726 9.916 -1.944 1.00 0.00 H new HETATM 0 HD2 PTR B 204 -12.767 13.510 0.760 1.00 0.00 H new HETATM 0 HD1 PTR B 204 -9.517 12.040 -1.602 1.00 0.00 H new HETATM 0 HB3 PTR B 204 -9.253 14.065 -0.332 1.00 0.00 H new HETATM 0 HB2 PTR B 204 -10.452 14.548 0.851 1.00 0.00 H new HETATM 0 HA PTR B 204 -11.842 15.556 -0.932 1.00 0.00 H new ATOM 2040 N ASP B 205 -8.676 16.527 -0.792 1.00 0.00 N ATOM 2041 CA ASP B 205 -7.837 17.691 -0.526 1.00 0.00 C ATOM 2042 C ASP B 205 -6.516 17.620 -1.296 1.00 0.00 C ATOM 2043 O ASP B 205 -6.447 18.027 -2.456 1.00 0.00 O ATOM 2044 CB ASP B 205 -7.577 17.823 0.978 1.00 0.00 C ATOM 2045 CG ASP B 205 -8.724 18.495 1.706 1.00 0.00 C ATOM 2046 OD1 ASP B 205 -9.103 19.618 1.310 1.00 0.00 O ATOM 2047 OD2 ASP B 205 -9.245 17.898 2.672 1.00 0.00 O ATOM 0 H ASP B 205 -8.163 15.658 -0.941 1.00 0.00 H new ATOM 0 HA ASP B 205 -8.371 18.576 -0.872 1.00 0.00 H new ATOM 0 HB2 ASP B 205 -7.410 16.833 1.403 1.00 0.00 H new ATOM 0 HB3 ASP B 205 -6.664 18.396 1.137 1.00 0.00 H new ATOM 2052 N ASP B 206 -5.466 17.110 -0.651 1.00 0.00 N ATOM 2053 CA ASP B 206 -4.158 17.002 -1.289 1.00 0.00 C ATOM 2054 C ASP B 206 -3.416 15.758 -0.808 1.00 0.00 C ATOM 2055 O ASP B 206 -3.710 15.230 0.262 1.00 0.00 O ATOM 2056 CB ASP B 206 -3.323 18.251 -0.998 1.00 0.00 C ATOM 2057 CG ASP B 206 -3.468 19.308 -2.075 1.00 0.00 C ATOM 2058 OD1 ASP B 206 -2.899 19.121 -3.171 1.00 0.00 O ATOM 2059 OD2 ASP B 206 -4.151 20.323 -1.823 1.00 0.00 O ATOM 0 H ASP B 206 -5.498 16.767 0.309 1.00 0.00 H new ATOM 0 HA ASP B 206 -4.313 16.916 -2.365 1.00 0.00 H new ATOM 0 HB2 ASP B 206 -3.625 18.671 -0.038 1.00 0.00 H new ATOM 0 HB3 ASP B 206 -2.274 17.970 -0.908 1.00 0.00 H new ATOM 2064 N PRO B 207 -2.444 15.274 -1.606 1.00 0.00 N ATOM 2065 CA PRO B 207 -1.649 14.079 -1.280 1.00 0.00 C ATOM 2066 C PRO B 207 -0.957 14.166 0.080 1.00 0.00 C ATOM 2067 O PRO B 207 0.264 14.298 0.156 1.00 0.00 O ATOM 2068 CB PRO B 207 -0.607 14.015 -2.409 1.00 0.00 C ATOM 2069 CG PRO B 207 -0.639 15.359 -3.053 1.00 0.00 C ATOM 2070 CD PRO B 207 -2.047 15.846 -2.900 1.00 0.00 C ATOM 0 HA PRO B 207 -2.281 13.194 -1.209 1.00 0.00 H new ATOM 0 HB2 PRO B 207 0.385 13.791 -2.016 1.00 0.00 H new ATOM 0 HB3 PRO B 207 -0.851 13.230 -3.125 1.00 0.00 H new ATOM 0 HG2 PRO B 207 0.065 16.040 -2.575 1.00 0.00 H new ATOM 0 HG3 PRO B 207 -0.358 15.297 -4.104 1.00 0.00 H new ATOM 0 HD2 PRO B 207 -2.101 16.935 -2.896 1.00 0.00 H new ATOM 0 HD3 PRO B 207 -2.687 15.498 -3.711 1.00 0.00 H new ATOM 2078 N PHE B 208 -1.747 14.076 1.149 1.00 0.00 N ATOM 2079 CA PHE B 208 -1.228 14.128 2.518 1.00 0.00 C ATOM 2080 C PHE B 208 -2.353 14.398 3.512 1.00 0.00 C ATOM 2081 O PHE B 208 -2.310 13.941 4.654 1.00 0.00 O ATOM 2082 CB PHE B 208 -0.138 15.197 2.664 1.00 0.00 C ATOM 2083 CG PHE B 208 1.204 14.630 3.034 1.00 0.00 C ATOM 2084 CD1 PHE B 208 1.418 14.092 4.294 1.00 0.00 C ATOM 2085 CD2 PHE B 208 2.253 14.635 2.125 1.00 0.00 C ATOM 2086 CE1 PHE B 208 2.650 13.571 4.641 1.00 0.00 C ATOM 2087 CE2 PHE B 208 3.486 14.116 2.468 1.00 0.00 C ATOM 2088 CZ PHE B 208 3.685 13.583 3.727 1.00 0.00 C ATOM 0 H PHE B 208 -2.759 13.966 1.093 1.00 0.00 H new ATOM 0 HA PHE B 208 -0.786 13.156 2.736 1.00 0.00 H new ATOM 0 HB2 PHE B 208 -0.047 15.744 1.726 1.00 0.00 H new ATOM 0 HB3 PHE B 208 -0.443 15.916 3.424 1.00 0.00 H new ATOM 0 HD1 PHE B 208 0.612 14.080 5.013 1.00 0.00 H new ATOM 0 HD2 PHE B 208 2.103 15.049 1.139 1.00 0.00 H new ATOM 0 HE1 PHE B 208 2.803 13.155 5.626 1.00 0.00 H new ATOM 0 HE2 PHE B 208 4.295 14.127 1.752 1.00 0.00 H new ATOM 0 HZ PHE B 208 4.649 13.176 3.996 1.00 0.00 H new HETATM 2098 N NH2 B 209 -3.363 15.142 3.075 1.00 0.00 N TER 2101 NH2 B 209