USER MOD reduce.3.24.130724 H: found=0, std=0, add=1315, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 1313 hydrogens (52 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 ASN : amide:sc= -2.95! C(o=-6!,f=-7.3!) USER MOD Set 1.2: A 99 TYR OH : rot 165:sc= -1.06 USER MOD Set 1.3: A 110 HIS : no HD1:sc= -1.02 K(o=-6,f=-10!) USER MOD Set 1.4: A 142 MET CE :methyl 143:sc= -0.929 (180deg=-3.31!) USER MOD Set 2.1: A 31 LYS NZ :NH3+ -149:sc= -1.02 (180deg=-0.774) USER MOD Set 2.2: A 32 MET CE :methyl -113:sc= -2.63! (180deg=-5.58!) USER MOD Single : A 1 MET CE :methyl 152:sc= 0 (180deg=-0.00381) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.0131 (180deg=-0.297) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.062 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 146:sc= -0.4 (180deg=-1.63) USER MOD Single : A 14 TYR OH : rot -63:sc= 0.012 USER MOD Single : A 20 SER OG : rot -33:sc= -0.382! USER MOD Single : A 22 THR OG1 : rot -94:sc= -0.133! USER MOD Single : A 29 LYS NZ :NH3+ 153:sc= -0.699 (180deg=-1.48!) USER MOD Single : A 33 LYS NZ :NH3+ -129:sc= 0.00369 (180deg=0) USER MOD Single : A 34 MET CE :methyl -136:sc= -3.34! (180deg=-9.14!) USER MOD Single : A 36 MET CE :methyl -130:sc= -0.968 (180deg=-2.89!) USER MOD Single : A 40 SER OG : rot -30:sc= 0.705 USER MOD Single : A 48 LYS NZ :NH3+ 154:sc= 0.236 (180deg=0.0272) USER MOD Single : A 50 SER OG : rot 13:sc= 0.708 USER MOD Single : A 51 TYR OH : rot 59:sc= -0.072 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -46:sc= -0.603 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -160:sc= -0.0353 (180deg=-0.558) USER MOD Single : A 68 LYS NZ :NH3+ -160:sc= -0.0673 (180deg=-0.718) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.388 USER MOD Single : A 70 SER OG : rot -28:sc= 0.938 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 40:sc= 0.116 USER MOD Single : A 82 LYS NZ :NH3+ -154:sc= -0.168 (180deg=-1.06) USER MOD Single : A 83 LYS NZ :NH3+ -146:sc= 0.359 (180deg=-4.08!) USER MOD Single : A 84 LYS NZ :NH3+ -177:sc= -2.38! (180deg=-2.48!) USER MOD Single : A 90 THR OG1 : rot -141:sc= 0.0951 USER MOD Single : A 92 TYR OH : rot 121:sc= -2.15! USER MOD Single : A 93 LYS NZ :NH3+ -107:sc= -2.3 (180deg=-4.86!) USER MOD Single : A 94 SER OG : rot 109:sc= 0.252 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 42:sc= 1.23 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.496 USER MOD Single : A 111 MET CE :methyl 164:sc= -2.45 (180deg=-4.33!) USER MOD Single : A 112 MET CE :methyl -137:sc= -1.41 (180deg=-2.92!) USER MOD Single : A 115 TYR OH : rot 60:sc= -0.694 USER MOD Single : A 116 SER OG : rot -163:sc= 1.79 USER MOD Single : A 118 SER OG : rot 180:sc= -0.505 USER MOD Single : A 122 SER OG : rot 180:sc= -0.49 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0.0163 USER MOD Single : A 131 LYS NZ :NH3+ 177:sc= -0.732 (180deg=-0.742) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 138 TYR OH : rot 180:sc= -0.451 USER MOD Single : A 139 THR OG1 : rot 180:sc= -0.544 USER MOD Single : A 145 MET CE :methyl -150:sc= -2.38 (180deg=-2.85!) USER MOD Single : A 149 GLN : amide:sc= -0.172 K(o=-0.17,f=-2.2) USER MOD Single : A 153 THR OG1 : rot 180:sc= 0 USER MOD Single : A 300 ACD O2 : rot 130:sc= -0.837 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.137 17.674 -21.912 1.00 0.00 N ATOM 2 CA MET A 1 4.212 19.069 -21.394 1.00 52.33 C ATOM 3 C MET A 1 2.843 19.728 -21.516 1.00 51.04 C ATOM 4 O MET A 1 2.450 20.528 -20.667 1.00 30.31 O ATOM 5 CB MET A 1 5.249 19.855 -22.204 1.00 13.13 C ATOM 6 CG MET A 1 5.436 21.249 -21.596 1.00 61.45 C ATOM 7 SD MET A 1 4.088 22.331 -22.136 1.00 3.13 S ATOM 8 CE MET A 1 4.828 22.853 -23.702 1.00 53.23 C ATOM 0 H1 MET A 1 4.977 17.144 -21.604 1.00 0.00 H new ATOM 0 H2 MET A 1 3.282 17.212 -21.542 1.00 0.00 H new ATOM 0 H3 MET A 1 4.100 17.691 -22.951 1.00 0.00 H new ATOM 0 HA MET A 1 4.510 19.059 -20.346 1.00 52.33 H new ATOM 0 HB2 MET A 1 6.199 19.321 -22.211 1.00 13.13 H new ATOM 0 HB3 MET A 1 4.924 19.941 -23.241 1.00 13.13 H new ATOM 0 HG2 MET A 1 5.450 21.184 -20.508 1.00 61.45 H new ATOM 0 HG3 MET A 1 6.396 21.665 -21.903 1.00 61.45 H new ATOM 0 HE1 MET A 1 4.039 23.098 -24.413 1.00 53.23 H new ATOM 0 HE2 MET A 1 5.452 23.731 -23.535 1.00 53.23 H new ATOM 0 HE3 MET A 1 5.439 22.044 -24.103 1.00 53.23 H new ATOM 20 N THR A 2 2.118 19.386 -22.577 1.00 3.32 N ATOM 21 CA THR A 2 0.793 19.950 -22.799 1.00 31.51 C ATOM 22 C THR A 2 -0.160 19.531 -21.685 1.00 71.12 C ATOM 23 O THR A 2 -0.984 20.324 -21.227 1.00 74.10 O ATOM 24 CB THR A 2 0.244 19.480 -24.148 1.00 64.55 C ATOM 25 OG1 THR A 2 -0.038 18.089 -24.083 1.00 52.22 O ATOM 26 CG2 THR A 2 1.279 19.744 -25.242 1.00 22.21 C ATOM 0 H THR A 2 2.424 18.725 -23.291 1.00 3.32 H new ATOM 0 HA THR A 2 0.876 21.037 -22.801 1.00 31.51 H new ATOM 0 HB THR A 2 -0.671 20.026 -24.379 1.00 64.55 H new ATOM 0 HG1 THR A 2 -0.391 17.786 -24.945 1.00 52.22 H new ATOM 0 HG21 THR A 2 0.887 19.409 -26.202 1.00 22.21 H new ATOM 0 HG22 THR A 2 1.493 20.812 -25.290 1.00 22.21 H new ATOM 0 HG23 THR A 2 2.196 19.200 -25.015 1.00 22.21 H new ATOM 34 N VAL A 3 -0.040 18.281 -21.251 1.00 51.41 N ATOM 35 CA VAL A 3 -0.895 17.766 -20.187 1.00 50.35 C ATOM 36 C VAL A 3 -0.586 18.481 -18.870 1.00 51.14 C ATOM 37 O VAL A 3 0.540 18.930 -18.657 1.00 15.20 O ATOM 38 CB VAL A 3 -0.661 16.260 -20.024 1.00 31.51 C ATOM 39 CG1 VAL A 3 -1.368 15.505 -21.152 1.00 44.41 C ATOM 40 CG2 VAL A 3 0.839 15.970 -20.083 1.00 4.21 C ATOM 0 H VAL A 3 0.636 17.610 -21.616 1.00 51.41 H new ATOM 0 HA VAL A 3 -1.937 17.946 -20.450 1.00 50.35 H new ATOM 0 HB VAL A 3 -1.060 15.934 -19.064 1.00 31.51 H new ATOM 0 HG11 VAL A 3 -1.200 14.434 -21.034 1.00 44.41 H new ATOM 0 HG12 VAL A 3 -2.438 15.711 -21.113 1.00 44.41 H new ATOM 0 HG13 VAL A 3 -0.970 15.831 -22.113 1.00 44.41 H new ATOM 0 HG21 VAL A 3 1.007 14.899 -19.967 1.00 4.21 H new ATOM 0 HG22 VAL A 3 1.235 16.298 -21.044 1.00 4.21 H new ATOM 0 HG23 VAL A 3 1.345 16.506 -19.280 1.00 4.21 H new ATOM 50 N PRO A 4 -1.549 18.597 -17.986 1.00 73.12 N ATOM 51 CA PRO A 4 -1.352 19.272 -16.674 1.00 12.34 C ATOM 52 C PRO A 4 0.036 19.009 -16.094 1.00 15.51 C ATOM 53 O PRO A 4 0.555 17.896 -16.179 1.00 74.25 O ATOM 54 CB PRO A 4 -2.447 18.655 -15.805 1.00 35.35 C ATOM 55 CG PRO A 4 -3.567 18.351 -16.751 1.00 23.14 C ATOM 56 CD PRO A 4 -2.932 18.102 -18.130 1.00 53.44 C ATOM 0 HA PRO A 4 -1.415 20.358 -16.745 1.00 12.34 H new ATOM 0 HB2 PRO A 4 -2.094 17.751 -15.308 1.00 35.35 H new ATOM 0 HB3 PRO A 4 -2.766 19.345 -15.024 1.00 35.35 H new ATOM 0 HG2 PRO A 4 -4.126 17.476 -16.419 1.00 23.14 H new ATOM 0 HG3 PRO A 4 -4.272 19.181 -16.795 1.00 23.14 H new ATOM 0 HD2 PRO A 4 -2.951 17.044 -18.392 1.00 53.44 H new ATOM 0 HD3 PRO A 4 -3.466 18.635 -18.917 1.00 53.44 H new ATOM 64 N ASP A 5 0.633 20.042 -15.508 1.00 12.22 N ATOM 65 CA ASP A 5 1.961 19.912 -14.923 1.00 22.15 C ATOM 66 C ASP A 5 1.917 19.050 -13.665 1.00 22.21 C ATOM 67 O ASP A 5 1.166 19.335 -12.731 1.00 60.12 O ATOM 68 CB ASP A 5 2.516 21.295 -14.576 1.00 34.44 C ATOM 69 CG ASP A 5 2.647 22.136 -15.841 1.00 21.53 C ATOM 70 OD1 ASP A 5 2.148 21.708 -16.868 1.00 32.44 O ATOM 71 OD2 ASP A 5 3.242 23.197 -15.763 1.00 50.33 O ATOM 0 H ASP A 5 0.221 20.972 -15.426 1.00 12.22 H new ATOM 0 HA ASP A 5 2.611 19.431 -15.654 1.00 22.15 H new ATOM 0 HB2 ASP A 5 1.857 21.793 -13.865 1.00 34.44 H new ATOM 0 HB3 ASP A 5 3.488 21.195 -14.093 1.00 34.44 H new ATOM 76 N ARG A 6 2.731 17.999 -13.646 1.00 61.24 N ATOM 77 CA ARG A 6 2.785 17.101 -12.498 1.00 11.45 C ATOM 78 C ARG A 6 3.682 17.692 -11.413 1.00 51.04 C ATOM 79 O ARG A 6 3.540 17.374 -10.233 1.00 22.12 O ATOM 80 CB ARG A 6 3.323 15.729 -12.927 1.00 11.40 C ATOM 81 CG ARG A 6 4.466 15.905 -13.946 1.00 43.01 C ATOM 82 CD ARG A 6 3.906 15.910 -15.377 1.00 14.15 C ATOM 83 NE ARG A 6 3.802 14.545 -15.882 1.00 25.21 N ATOM 84 CZ ARG A 6 4.851 13.928 -16.417 1.00 74.32 C ATOM 85 NH1 ARG A 6 5.999 14.541 -16.496 1.00 62.45 N ATOM 86 NH2 ARG A 6 4.731 12.708 -16.865 1.00 72.43 N ATOM 0 H ARG A 6 3.360 17.749 -14.409 1.00 61.24 H new ATOM 0 HA ARG A 6 1.778 16.979 -12.100 1.00 11.45 H new ATOM 0 HB2 ARG A 6 3.683 15.182 -12.056 1.00 11.40 H new ATOM 0 HB3 ARG A 6 2.521 15.136 -13.367 1.00 11.40 H new ATOM 0 HG2 ARG A 6 4.996 16.838 -13.752 1.00 43.01 H new ATOM 0 HG3 ARG A 6 5.190 15.098 -13.834 1.00 43.01 H new ATOM 0 HD2 ARG A 6 2.926 16.386 -15.390 1.00 14.15 H new ATOM 0 HD3 ARG A 6 4.554 16.498 -16.027 1.00 14.15 H new ATOM 0 HE ARG A 6 2.909 14.056 -15.824 1.00 25.21 H new ATOM 0 HH11 ARG A 6 6.093 15.495 -16.147 1.00 62.45 H new ATOM 0 HH12 ARG A 6 6.803 14.067 -16.907 1.00 62.45 H new ATOM 0 HH21 ARG A 6 3.833 12.229 -16.805 1.00 72.43 H new ATOM 0 HH22 ARG A 6 5.535 12.234 -17.276 1.00 72.43 H new ATOM 100 N SER A 7 4.602 18.554 -11.826 1.00 24.50 N ATOM 101 CA SER A 7 5.522 19.189 -10.891 1.00 15.21 C ATOM 102 C SER A 7 4.758 19.898 -9.776 1.00 62.44 C ATOM 103 O SER A 7 5.247 20.011 -8.652 1.00 0.01 O ATOM 104 CB SER A 7 6.400 20.199 -11.629 1.00 52.42 C ATOM 105 OG SER A 7 5.614 21.324 -11.999 1.00 23.24 O ATOM 0 H SER A 7 4.731 18.829 -12.800 1.00 24.50 H new ATOM 0 HA SER A 7 6.148 18.414 -10.448 1.00 15.21 H new ATOM 0 HB2 SER A 7 7.227 20.513 -10.992 1.00 52.42 H new ATOM 0 HB3 SER A 7 6.837 19.739 -12.515 1.00 52.42 H new ATOM 0 HG SER A 7 6.175 21.974 -12.471 1.00 23.24 H new ATOM 111 N GLU A 8 3.566 20.392 -10.098 1.00 55.43 N ATOM 112 CA GLU A 8 2.755 21.109 -9.120 1.00 74.40 C ATOM 113 C GLU A 8 2.443 20.238 -7.906 1.00 61.42 C ATOM 114 O GLU A 8 2.687 20.644 -6.770 1.00 24.35 O ATOM 115 CB GLU A 8 1.447 21.567 -9.768 1.00 43.14 C ATOM 116 CG GLU A 8 0.709 22.514 -8.819 1.00 42.40 C ATOM 117 CD GLU A 8 -0.620 22.937 -9.435 1.00 53.01 C ATOM 118 OE1 GLU A 8 -0.912 22.487 -10.532 1.00 42.34 O ATOM 119 OE2 GLU A 8 -1.326 23.704 -8.803 1.00 45.21 O ATOM 0 H GLU A 8 3.143 20.310 -11.022 1.00 55.43 H new ATOM 0 HA GLU A 8 3.326 21.974 -8.781 1.00 74.40 H new ATOM 0 HB2 GLU A 8 1.654 22.070 -10.712 1.00 43.14 H new ATOM 0 HB3 GLU A 8 0.821 20.704 -9.997 1.00 43.14 H new ATOM 0 HG2 GLU A 8 0.536 22.021 -7.862 1.00 42.40 H new ATOM 0 HG3 GLU A 8 1.322 23.392 -8.619 1.00 42.40 H new ATOM 126 N ILE A 9 1.903 19.043 -8.139 1.00 32.20 N ATOM 127 CA ILE A 9 1.573 18.148 -7.031 1.00 44.52 C ATOM 128 C ILE A 9 2.810 17.368 -6.582 1.00 71.22 C ATOM 129 O ILE A 9 2.924 17.001 -5.413 1.00 34.23 O ATOM 130 CB ILE A 9 0.442 17.176 -7.435 1.00 12.34 C ATOM 131 CG1 ILE A 9 0.586 15.859 -6.654 1.00 51.22 C ATOM 132 CG2 ILE A 9 0.527 16.886 -8.934 1.00 71.51 C ATOM 133 CD1 ILE A 9 -0.691 15.010 -6.751 1.00 22.25 C ATOM 0 H ILE A 9 1.688 18.677 -9.066 1.00 32.20 H new ATOM 0 HA ILE A 9 1.225 18.755 -6.195 1.00 44.52 H new ATOM 0 HB ILE A 9 -0.521 17.632 -7.204 1.00 12.34 H new ATOM 0 HG12 ILE A 9 1.432 15.293 -7.044 1.00 51.22 H new ATOM 0 HG13 ILE A 9 0.803 16.076 -5.608 1.00 51.22 H new ATOM 0 HG21 ILE A 9 -0.271 16.200 -9.218 1.00 71.51 H new ATOM 0 HG22 ILE A 9 0.421 17.817 -9.491 1.00 71.51 H new ATOM 0 HG23 ILE A 9 1.492 16.434 -9.163 1.00 71.51 H new ATOM 0 HD11 ILE A 9 -0.557 14.086 -6.189 1.00 22.25 H new ATOM 0 HD12 ILE A 9 -1.531 15.568 -6.338 1.00 22.25 H new ATOM 0 HD13 ILE A 9 -0.892 14.773 -7.796 1.00 22.25 H new ATOM 145 N ALA A 10 3.741 17.120 -7.501 1.00 72.21 N ATOM 146 CA ALA A 10 4.943 16.388 -7.123 1.00 65.35 C ATOM 147 C ALA A 10 5.816 17.272 -6.250 1.00 33.31 C ATOM 148 O ALA A 10 5.993 18.458 -6.529 1.00 3.55 O ATOM 149 CB ALA A 10 5.728 15.886 -8.342 1.00 40.42 C ATOM 0 H ALA A 10 3.690 17.404 -8.479 1.00 72.21 H new ATOM 0 HA ALA A 10 4.637 15.504 -6.564 1.00 65.35 H new ATOM 0 HB1 ALA A 10 6.614 15.347 -8.007 1.00 40.42 H new ATOM 0 HB2 ALA A 10 5.098 15.219 -8.931 1.00 40.42 H new ATOM 0 HB3 ALA A 10 6.030 16.735 -8.955 1.00 40.42 H new ATOM 155 N GLY A 11 6.344 16.692 -5.179 1.00 73.14 N ATOM 156 CA GLY A 11 7.183 17.428 -4.242 1.00 23.13 C ATOM 157 C GLY A 11 6.609 17.314 -2.831 1.00 62.21 C ATOM 158 O GLY A 11 7.348 17.305 -1.847 1.00 2.41 O ATOM 0 H GLY A 11 6.205 15.711 -4.938 1.00 73.14 H new ATOM 0 HA2 GLY A 11 8.199 17.034 -4.264 1.00 23.13 H new ATOM 0 HA3 GLY A 11 7.241 18.476 -4.537 1.00 23.13 H new ATOM 162 N LYS A 12 5.282 17.223 -2.740 1.00 50.22 N ATOM 163 CA LYS A 12 4.626 17.099 -1.442 1.00 64.23 C ATOM 164 C LYS A 12 3.166 16.659 -1.588 1.00 33.14 C ATOM 165 O LYS A 12 2.327 17.437 -2.041 1.00 23.54 O ATOM 166 CB LYS A 12 4.682 18.439 -0.706 1.00 54.11 C ATOM 167 CG LYS A 12 4.168 18.263 0.724 1.00 51.14 C ATOM 168 CD LYS A 12 4.218 19.607 1.453 1.00 1.44 C ATOM 169 CE LYS A 12 3.812 19.411 2.915 1.00 14.14 C ATOM 170 NZ LYS A 12 4.641 18.330 3.520 1.00 61.31 N ATOM 0 H LYS A 12 4.649 17.233 -3.539 1.00 50.22 H new ATOM 0 HA LYS A 12 5.155 16.336 -0.872 1.00 64.23 H new ATOM 0 HB2 LYS A 12 5.705 18.814 -0.691 1.00 54.11 H new ATOM 0 HB3 LYS A 12 4.078 19.179 -1.231 1.00 54.11 H new ATOM 0 HG2 LYS A 12 3.147 17.882 0.710 1.00 51.14 H new ATOM 0 HG3 LYS A 12 4.775 17.528 1.252 1.00 51.14 H new ATOM 0 HD2 LYS A 12 5.223 20.026 1.397 1.00 1.44 H new ATOM 0 HD3 LYS A 12 3.548 20.319 0.971 1.00 1.44 H new ATOM 0 HE2 LYS A 12 3.947 20.340 3.469 1.00 14.14 H new ATOM 0 HE3 LYS A 12 2.755 19.152 2.979 1.00 14.14 H new ATOM 0 HZ1 LYS A 12 4.818 18.548 4.521 1.00 61.31 H new ATOM 0 HZ2 LYS A 12 4.137 17.423 3.447 1.00 61.31 H new ATOM 0 HZ3 LYS A 12 5.547 18.264 3.014 1.00 61.31 H new ATOM 184 N TRP A 13 2.849 15.431 -1.165 1.00 70.35 N ATOM 185 CA TRP A 13 1.468 14.938 -1.219 1.00 13.43 C ATOM 186 C TRP A 13 0.986 14.760 0.219 1.00 24.03 C ATOM 187 O TRP A 13 1.667 14.117 1.019 1.00 52.23 O ATOM 188 CB TRP A 13 1.452 13.560 -1.909 1.00 71.25 C ATOM 189 CG TRP A 13 1.706 13.659 -3.352 1.00 54.10 C ATOM 190 CD1 TRP A 13 2.722 14.318 -3.934 1.00 2.22 C ATOM 191 CD2 TRP A 13 0.947 13.027 -4.412 1.00 25.22 C ATOM 192 NE1 TRP A 13 2.643 14.111 -5.288 1.00 24.14 N ATOM 193 CE2 TRP A 13 1.578 13.305 -5.626 1.00 45.02 C ATOM 194 CE3 TRP A 13 -0.208 12.226 -4.431 1.00 10.34 C ATOM 195 CZ2 TRP A 13 1.103 12.808 -6.831 1.00 1.41 C ATOM 196 CZ3 TRP A 13 -0.704 11.727 -5.645 1.00 62.30 C ATOM 197 CH2 TRP A 13 -0.043 12.011 -6.845 1.00 42.33 C ATOM 0 H TRP A 13 3.522 14.766 -0.785 1.00 70.35 H new ATOM 0 HA TRP A 13 0.833 15.634 -1.767 1.00 13.43 H new ATOM 0 HB2 TRP A 13 2.205 12.918 -1.452 1.00 71.25 H new ATOM 0 HB3 TRP A 13 0.485 13.084 -1.744 1.00 71.25 H new ATOM 0 HD1 TRP A 13 3.470 14.908 -3.425 1.00 2.22 H new ATOM 0 HE1 TRP A 13 3.296 14.507 -5.964 1.00 24.14 H new ATOM 0 HE3 TRP A 13 -0.716 11.994 -3.507 1.00 10.34 H new ATOM 0 HZ2 TRP A 13 1.617 13.036 -7.753 1.00 1.41 H new ATOM 0 HZ3 TRP A 13 -1.599 11.122 -5.653 1.00 62.30 H new ATOM 0 HH2 TRP A 13 -0.418 11.616 -7.778 1.00 42.33 H new ATOM 208 N TYR A 14 -0.154 15.350 0.575 1.00 55.13 N ATOM 209 CA TYR A 14 -0.652 15.257 1.951 1.00 3.33 C ATOM 210 C TYR A 14 -1.764 14.216 2.072 1.00 31.42 C ATOM 211 O TYR A 14 -2.779 14.306 1.393 1.00 34.32 O ATOM 212 CB TYR A 14 -1.179 16.645 2.385 1.00 20.12 C ATOM 213 CG TYR A 14 -0.449 17.156 3.613 1.00 42.10 C ATOM 214 CD1 TYR A 14 0.952 17.168 3.648 1.00 33.50 C ATOM 215 CD2 TYR A 14 -1.178 17.632 4.712 1.00 62.44 C ATOM 216 CE1 TYR A 14 1.619 17.651 4.779 1.00 51.12 C ATOM 217 CE2 TYR A 14 -0.507 18.114 5.842 1.00 44.23 C ATOM 218 CZ TYR A 14 0.890 18.125 5.876 1.00 0.24 C ATOM 219 OH TYR A 14 1.551 18.600 6.990 1.00 12.22 O ATOM 0 H TYR A 14 -0.744 15.890 -0.058 1.00 55.13 H new ATOM 0 HA TYR A 14 0.166 14.943 2.600 1.00 3.33 H new ATOM 0 HB2 TYR A 14 -1.057 17.354 1.566 1.00 20.12 H new ATOM 0 HB3 TYR A 14 -2.247 16.581 2.595 1.00 20.12 H new ATOM 0 HD1 TYR A 14 1.517 16.804 2.802 1.00 33.50 H new ATOM 0 HD2 TYR A 14 -2.258 17.627 4.687 1.00 62.44 H new ATOM 0 HE1 TYR A 14 2.699 17.658 4.806 1.00 51.12 H new ATOM 0 HE2 TYR A 14 -1.070 18.478 6.689 1.00 44.23 H new ATOM 0 HH TYR A 14 2.071 17.875 7.395 1.00 12.22 H new ATOM 229 N VAL A 15 -1.566 13.260 2.978 1.00 31.05 N ATOM 230 CA VAL A 15 -2.558 12.210 3.232 1.00 33.51 C ATOM 231 C VAL A 15 -3.386 12.589 4.457 1.00 44.40 C ATOM 232 O VAL A 15 -2.831 12.781 5.538 1.00 12.25 O ATOM 233 CB VAL A 15 -1.849 10.875 3.479 1.00 30.14 C ATOM 234 CG1 VAL A 15 -2.885 9.796 3.805 1.00 11.52 C ATOM 235 CG2 VAL A 15 -1.063 10.469 2.225 1.00 55.14 C ATOM 0 H VAL A 15 -0.726 13.189 3.552 1.00 31.05 H new ATOM 0 HA VAL A 15 -3.212 12.109 2.366 1.00 33.51 H new ATOM 0 HB VAL A 15 -1.161 10.982 4.318 1.00 30.14 H new ATOM 0 HG11 VAL A 15 -2.379 8.847 3.980 1.00 11.52 H new ATOM 0 HG12 VAL A 15 -3.439 10.082 4.699 1.00 11.52 H new ATOM 0 HG13 VAL A 15 -3.575 9.690 2.968 1.00 11.52 H new ATOM 0 HG21 VAL A 15 -0.559 9.519 2.403 1.00 55.14 H new ATOM 0 HG22 VAL A 15 -1.748 10.364 1.384 1.00 55.14 H new ATOM 0 HG23 VAL A 15 -0.322 11.235 1.996 1.00 55.14 H new ATOM 245 N VAL A 16 -4.708 12.731 4.290 1.00 72.41 N ATOM 246 CA VAL A 16 -5.562 13.135 5.415 1.00 62.20 C ATOM 247 C VAL A 16 -6.791 12.258 5.596 1.00 74.34 C ATOM 248 O VAL A 16 -7.671 12.595 6.387 1.00 14.05 O ATOM 249 CB VAL A 16 -6.035 14.564 5.216 1.00 71.13 C ATOM 250 CG1 VAL A 16 -4.832 15.455 4.917 1.00 21.45 C ATOM 251 CG2 VAL A 16 -7.022 14.627 4.045 1.00 41.30 C ATOM 0 H VAL A 16 -5.200 12.577 3.410 1.00 72.41 H new ATOM 0 HA VAL A 16 -4.944 13.032 6.307 1.00 62.20 H new ATOM 0 HB VAL A 16 -6.533 14.910 6.122 1.00 71.13 H new ATOM 0 HG11 VAL A 16 -5.167 16.482 4.773 1.00 21.45 H new ATOM 0 HG12 VAL A 16 -4.133 15.415 5.752 1.00 21.45 H new ATOM 0 HG13 VAL A 16 -4.336 15.105 4.012 1.00 21.45 H new ATOM 0 HG21 VAL A 16 -7.358 15.655 3.907 1.00 41.30 H new ATOM 0 HG22 VAL A 16 -6.530 14.281 3.136 1.00 41.30 H new ATOM 0 HG23 VAL A 16 -7.881 13.990 4.258 1.00 41.30 H new ATOM 261 N ALA A 17 -6.853 11.133 4.920 1.00 31.30 N ATOM 262 CA ALA A 17 -7.999 10.257 5.110 1.00 63.12 C ATOM 263 C ALA A 17 -7.865 9.023 4.254 1.00 50.22 C ATOM 264 O ALA A 17 -7.495 9.112 3.087 1.00 25.22 O ATOM 265 CB ALA A 17 -9.282 11.011 4.712 1.00 40.12 C ATOM 0 H ALA A 17 -6.153 10.806 4.255 1.00 31.30 H new ATOM 0 HA ALA A 17 -8.047 9.958 6.157 1.00 63.12 H new ATOM 0 HB1 ALA A 17 -10.145 10.360 4.852 1.00 40.12 H new ATOM 0 HB2 ALA A 17 -9.391 11.898 5.336 1.00 40.12 H new ATOM 0 HB3 ALA A 17 -9.219 11.310 3.666 1.00 40.12 H new ATOM 271 N LEU A 18 -8.157 7.865 4.827 1.00 41.03 N ATOM 272 CA LEU A 18 -8.047 6.629 4.075 1.00 14.30 C ATOM 273 C LEU A 18 -9.071 5.623 4.586 1.00 1.41 C ATOM 274 O LEU A 18 -9.387 5.588 5.774 1.00 54.35 O ATOM 275 CB LEU A 18 -6.602 6.084 4.211 1.00 13.23 C ATOM 276 CG LEU A 18 -6.568 4.539 4.230 1.00 44.51 C ATOM 277 CD1 LEU A 18 -5.234 4.047 3.659 1.00 73.45 C ATOM 278 CD2 LEU A 18 -6.723 4.024 5.673 1.00 42.33 C ATOM 0 H LEU A 18 -8.466 7.757 5.793 1.00 41.03 H new ATOM 0 HA LEU A 18 -8.253 6.808 3.020 1.00 14.30 H new ATOM 0 HB2 LEU A 18 -5.996 6.450 3.382 1.00 13.23 H new ATOM 0 HB3 LEU A 18 -6.154 6.468 5.127 1.00 13.23 H new ATOM 0 HG LEU A 18 -7.390 4.161 3.623 1.00 44.51 H new ATOM 0 HD11 LEU A 18 -5.212 2.957 3.673 1.00 73.45 H new ATOM 0 HD12 LEU A 18 -5.126 4.399 2.633 1.00 73.45 H new ATOM 0 HD13 LEU A 18 -4.414 4.434 4.264 1.00 73.45 H new ATOM 0 HD21 LEU A 18 -6.698 2.934 5.675 1.00 42.33 H new ATOM 0 HD22 LEU A 18 -5.907 4.407 6.286 1.00 42.33 H new ATOM 0 HD23 LEU A 18 -7.674 4.366 6.081 1.00 42.33 H new ATOM 290 N ALA A 19 -9.575 4.802 3.672 1.00 72.11 N ATOM 291 CA ALA A 19 -10.550 3.782 4.023 1.00 31.11 C ATOM 292 C ALA A 19 -9.972 2.410 3.741 1.00 13.13 C ATOM 293 O ALA A 19 -9.005 2.275 2.996 1.00 23.53 O ATOM 294 CB ALA A 19 -11.841 3.962 3.222 1.00 4.41 C ATOM 0 H ALA A 19 -9.324 4.824 2.684 1.00 72.11 H new ATOM 0 HA ALA A 19 -10.782 3.878 5.084 1.00 31.11 H new ATOM 0 HB1 ALA A 19 -12.554 3.187 3.503 1.00 4.41 H new ATOM 0 HB2 ALA A 19 -12.268 4.942 3.435 1.00 4.41 H new ATOM 0 HB3 ALA A 19 -11.622 3.885 2.157 1.00 4.41 H new ATOM 300 N SER A 20 -10.567 1.396 4.342 1.00 62.30 N ATOM 301 CA SER A 20 -10.088 0.035 4.141 1.00 12.45 C ATOM 302 C SER A 20 -11.151 -0.989 4.505 1.00 24.04 C ATOM 303 O SER A 20 -12.223 -0.647 5.003 1.00 71.24 O ATOM 304 CB SER A 20 -8.840 -0.205 4.989 1.00 43.13 C ATOM 305 OG SER A 20 -7.960 0.903 4.852 1.00 1.05 O ATOM 0 H SER A 20 -11.370 1.483 4.964 1.00 62.30 H new ATOM 0 HA SER A 20 -9.849 -0.082 3.084 1.00 12.45 H new ATOM 0 HB2 SER A 20 -9.117 -0.337 6.035 1.00 43.13 H new ATOM 0 HB3 SER A 20 -8.342 -1.121 4.673 1.00 43.13 H new ATOM 0 HG SER A 20 -8.042 1.276 3.949 1.00 1.05 H new ATOM 311 N ASN A 21 -10.823 -2.255 4.270 1.00 54.23 N ATOM 312 CA ASN A 21 -11.723 -3.356 4.588 1.00 53.10 C ATOM 313 C ASN A 21 -11.070 -4.229 5.646 1.00 74.32 C ATOM 314 O ASN A 21 -11.736 -5.011 6.326 1.00 11.43 O ATOM 315 CB ASN A 21 -12.012 -4.184 3.335 1.00 23.03 C ATOM 316 CG ASN A 21 -12.939 -3.412 2.403 1.00 70.51 C ATOM 317 OD1 ASN A 21 -13.349 -3.930 1.364 1.00 72.43 O ATOM 318 ND2 ASN A 21 -13.297 -2.196 2.714 1.00 32.42 N ATOM 0 H ASN A 21 -9.936 -2.544 3.858 1.00 54.23 H new ATOM 0 HA ASN A 21 -12.667 -2.960 4.963 1.00 53.10 H new ATOM 0 HB2 ASN A 21 -11.080 -4.419 2.821 1.00 23.03 H new ATOM 0 HB3 ASN A 21 -12.471 -5.133 3.614 1.00 23.03 H new ATOM 0 HD21 ASN A 21 -13.917 -1.673 2.096 1.00 32.42 H new ATOM 0 HD22 ASN A 21 -12.956 -1.769 3.575 1.00 32.42 H new ATOM 325 N THR A 22 -9.757 -4.060 5.801 1.00 11.02 N ATOM 326 CA THR A 22 -9.014 -4.805 6.804 1.00 40.13 C ATOM 327 C THR A 22 -9.098 -4.048 8.124 1.00 24.02 C ATOM 328 O THR A 22 -8.532 -2.967 8.275 1.00 72.43 O ATOM 329 CB THR A 22 -7.555 -4.988 6.363 1.00 71.12 C ATOM 330 OG1 THR A 22 -6.928 -5.944 7.206 1.00 52.53 O ATOM 331 CG2 THR A 22 -6.799 -3.660 6.452 1.00 44.44 C ATOM 0 H THR A 22 -9.193 -3.416 5.246 1.00 11.02 H new ATOM 0 HA THR A 22 -9.443 -5.799 6.928 1.00 40.13 H new ATOM 0 HB THR A 22 -7.538 -5.333 5.329 1.00 71.12 H new ATOM 0 HG1 THR A 22 -6.470 -5.483 7.940 1.00 52.53 H new ATOM 0 HG21 THR A 22 -5.766 -3.807 6.136 1.00 44.44 H new ATOM 0 HG22 THR A 22 -7.276 -2.926 5.803 1.00 44.44 H new ATOM 0 HG23 THR A 22 -6.816 -3.300 7.481 1.00 44.44 H new ATOM 339 N GLU A 23 -9.859 -4.598 9.059 1.00 50.22 N ATOM 340 CA GLU A 23 -10.069 -3.943 10.342 1.00 21.22 C ATOM 341 C GLU A 23 -8.771 -3.390 10.913 1.00 33.42 C ATOM 342 O GLU A 23 -8.779 -2.382 11.613 1.00 60.34 O ATOM 343 CB GLU A 23 -10.685 -4.931 11.334 1.00 55.34 C ATOM 344 CG GLU A 23 -11.065 -4.198 12.622 1.00 23.42 C ATOM 345 CD GLU A 23 -11.722 -5.166 13.599 1.00 42.13 C ATOM 346 OE1 GLU A 23 -11.885 -6.320 13.239 1.00 72.44 O ATOM 347 OE2 GLU A 23 -12.054 -4.740 14.693 1.00 64.13 O ATOM 0 H GLU A 23 -10.339 -5.492 8.954 1.00 50.22 H new ATOM 0 HA GLU A 23 -10.748 -3.106 10.179 1.00 21.22 H new ATOM 0 HB2 GLU A 23 -11.567 -5.399 10.896 1.00 55.34 H new ATOM 0 HB3 GLU A 23 -9.977 -5.730 11.554 1.00 55.34 H new ATOM 0 HG2 GLU A 23 -10.177 -3.758 13.075 1.00 23.42 H new ATOM 0 HG3 GLU A 23 -11.747 -3.378 12.396 1.00 23.42 H new ATOM 354 N PHE A 24 -7.667 -4.051 10.629 1.00 12.32 N ATOM 355 CA PHE A 24 -6.382 -3.607 11.147 1.00 62.34 C ATOM 356 C PHE A 24 -6.068 -2.154 10.764 1.00 43.04 C ATOM 357 O PHE A 24 -5.662 -1.362 11.614 1.00 34.23 O ATOM 358 CB PHE A 24 -5.267 -4.523 10.629 1.00 11.12 C ATOM 359 CG PHE A 24 -5.772 -5.946 10.542 1.00 35.23 C ATOM 360 CD1 PHE A 24 -6.456 -6.519 11.622 1.00 51.11 C ATOM 361 CD2 PHE A 24 -5.554 -6.697 9.378 1.00 74.23 C ATOM 362 CE1 PHE A 24 -6.922 -7.837 11.538 1.00 43.22 C ATOM 363 CE2 PHE A 24 -6.018 -8.014 9.296 1.00 62.52 C ATOM 364 CZ PHE A 24 -6.702 -8.585 10.375 1.00 60.21 C ATOM 0 H PHE A 24 -7.629 -4.889 10.049 1.00 12.32 H new ATOM 0 HA PHE A 24 -6.438 -3.658 12.234 1.00 62.34 H new ATOM 0 HB2 PHE A 24 -4.933 -4.185 9.648 1.00 11.12 H new ATOM 0 HB3 PHE A 24 -4.405 -4.473 11.294 1.00 11.12 H new ATOM 0 HD1 PHE A 24 -6.624 -5.944 12.520 1.00 51.11 H new ATOM 0 HD2 PHE A 24 -5.027 -6.258 8.544 1.00 74.23 H new ATOM 0 HE1 PHE A 24 -7.451 -8.277 12.371 1.00 43.22 H new ATOM 0 HE2 PHE A 24 -5.848 -8.591 8.399 1.00 62.52 H new ATOM 0 HZ PHE A 24 -7.060 -9.602 10.311 1.00 60.21 H new ATOM 374 N PHE A 25 -6.198 -1.820 9.480 1.00 4.22 N ATOM 375 CA PHE A 25 -5.856 -0.471 9.009 1.00 53.40 C ATOM 376 C PHE A 25 -6.867 0.613 9.407 1.00 44.12 C ATOM 377 O PHE A 25 -6.469 1.685 9.859 1.00 73.34 O ATOM 378 CB PHE A 25 -5.681 -0.478 7.480 1.00 14.51 C ATOM 379 CG PHE A 25 -4.545 0.446 7.100 1.00 12.54 C ATOM 380 CD1 PHE A 25 -4.665 1.822 7.316 1.00 75.12 C ATOM 381 CD2 PHE A 25 -3.368 -0.077 6.552 1.00 23.01 C ATOM 382 CE1 PHE A 25 -3.608 2.679 6.984 1.00 44.54 C ATOM 383 CE2 PHE A 25 -2.312 0.779 6.216 1.00 21.51 C ATOM 384 CZ PHE A 25 -2.432 2.156 6.433 1.00 1.40 C ATOM 0 H PHE A 25 -6.533 -2.453 8.753 1.00 4.22 H new ATOM 0 HA PHE A 25 -4.921 -0.211 9.506 1.00 53.40 H new ATOM 0 HB2 PHE A 25 -5.474 -1.490 7.131 1.00 14.51 H new ATOM 0 HB3 PHE A 25 -6.603 -0.157 6.996 1.00 14.51 H new ATOM 0 HD1 PHE A 25 -5.573 2.225 7.739 1.00 75.12 H new ATOM 0 HD2 PHE A 25 -3.274 -1.140 6.388 1.00 23.01 H new ATOM 0 HE1 PHE A 25 -3.700 3.742 7.153 1.00 44.54 H new ATOM 0 HE2 PHE A 25 -1.405 0.376 5.789 1.00 21.51 H new ATOM 0 HZ PHE A 25 -1.617 2.816 6.175 1.00 1.40 H new ATOM 394 N LEU A 26 -8.159 0.353 9.234 1.00 51.21 N ATOM 395 CA LEU A 26 -9.160 1.360 9.588 1.00 24.04 C ATOM 396 C LEU A 26 -9.192 1.551 11.098 1.00 24.21 C ATOM 397 O LEU A 26 -9.294 2.673 11.600 1.00 34.11 O ATOM 398 CB LEU A 26 -10.549 0.969 9.059 1.00 11.33 C ATOM 399 CG LEU A 26 -10.917 -0.469 9.488 1.00 54.15 C ATOM 400 CD1 LEU A 26 -11.896 -0.430 10.668 1.00 52.55 C ATOM 401 CD2 LEU A 26 -11.581 -1.205 8.313 1.00 64.21 C ATOM 0 H LEU A 26 -8.533 -0.520 8.862 1.00 51.21 H new ATOM 0 HA LEU A 26 -8.882 2.304 9.119 1.00 24.04 H new ATOM 0 HB2 LEU A 26 -11.296 1.668 9.436 1.00 11.33 H new ATOM 0 HB3 LEU A 26 -10.563 1.043 7.972 1.00 11.33 H new ATOM 0 HG LEU A 26 -10.008 -0.991 9.786 1.00 54.15 H new ATOM 0 HD11 LEU A 26 -12.150 -1.448 10.964 1.00 52.55 H new ATOM 0 HD12 LEU A 26 -11.433 0.087 11.508 1.00 52.55 H new ATOM 0 HD13 LEU A 26 -12.802 0.099 10.372 1.00 52.55 H new ATOM 0 HD21 LEU A 26 -11.840 -2.219 8.618 1.00 64.21 H new ATOM 0 HD22 LEU A 26 -12.485 -0.674 8.015 1.00 64.21 H new ATOM 0 HD23 LEU A 26 -10.890 -1.245 7.471 1.00 64.21 H new ATOM 413 N ARG A 27 -9.081 0.442 11.810 1.00 34.32 N ATOM 414 CA ARG A 27 -9.076 0.491 13.265 1.00 64.22 C ATOM 415 C ARG A 27 -7.948 1.406 13.731 1.00 1.05 C ATOM 416 O ARG A 27 -8.137 2.252 14.604 1.00 3.25 O ATOM 417 CB ARG A 27 -8.885 -0.907 13.856 1.00 51.33 C ATOM 418 CG ARG A 27 -8.857 -0.816 15.383 1.00 52.22 C ATOM 419 CD ARG A 27 -8.872 -2.225 15.979 1.00 54.13 C ATOM 420 NE ARG A 27 -9.045 -2.158 17.426 1.00 14.32 N ATOM 421 CZ ARG A 27 -10.227 -1.876 17.964 1.00 52.13 C ATOM 422 NH1 ARG A 27 -11.258 -1.655 17.195 1.00 34.32 N ATOM 423 NH2 ARG A 27 -10.356 -1.820 19.262 1.00 70.23 N ATOM 0 H ARG A 27 -8.994 -0.493 11.412 1.00 34.32 H new ATOM 0 HA ARG A 27 -10.035 0.878 13.608 1.00 64.22 H new ATOM 0 HB2 ARG A 27 -9.694 -1.563 13.535 1.00 51.33 H new ATOM 0 HB3 ARG A 27 -7.956 -1.344 13.490 1.00 51.33 H new ATOM 0 HG2 ARG A 27 -7.965 -0.281 15.710 1.00 52.22 H new ATOM 0 HG3 ARG A 27 -9.717 -0.250 15.740 1.00 52.22 H new ATOM 0 HD2 ARG A 27 -9.680 -2.807 15.535 1.00 54.13 H new ATOM 0 HD3 ARG A 27 -7.941 -2.739 15.740 1.00 54.13 H new ATOM 0 HE ARG A 27 -8.245 -2.331 18.035 1.00 14.32 H new ATOM 0 HH11 ARG A 27 -11.157 -1.699 16.181 1.00 34.32 H new ATOM 0 HH12 ARG A 27 -12.165 -1.439 17.608 1.00 34.32 H new ATOM 0 HH21 ARG A 27 -9.550 -1.993 19.863 1.00 70.23 H new ATOM 0 HH22 ARG A 27 -11.263 -1.604 19.676 1.00 70.23 H new ATOM 437 N GLU A 28 -6.768 1.215 13.145 1.00 12.43 N ATOM 438 CA GLU A 28 -5.602 2.014 13.511 1.00 52.20 C ATOM 439 C GLU A 28 -5.641 3.406 12.869 1.00 15.22 C ATOM 440 O GLU A 28 -5.284 4.398 13.506 1.00 34.35 O ATOM 441 CB GLU A 28 -4.326 1.281 13.076 1.00 33.00 C ATOM 442 CG GLU A 28 -3.137 1.761 13.913 1.00 20.23 C ATOM 443 CD GLU A 28 -3.221 1.183 15.322 1.00 43.21 C ATOM 444 OE1 GLU A 28 -3.926 0.203 15.499 1.00 0.13 O ATOM 445 OE2 GLU A 28 -2.578 1.729 16.204 1.00 1.12 O ATOM 0 H GLU A 28 -6.595 0.519 12.420 1.00 12.43 H new ATOM 0 HA GLU A 28 -5.611 2.147 14.593 1.00 52.20 H new ATOM 0 HB2 GLU A 28 -4.455 0.205 13.196 1.00 33.00 H new ATOM 0 HB3 GLU A 28 -4.134 1.463 12.019 1.00 33.00 H new ATOM 0 HG2 GLU A 28 -2.203 1.455 13.441 1.00 20.23 H new ATOM 0 HG3 GLU A 28 -3.130 2.850 13.958 1.00 20.23 H new ATOM 452 N LYS A 29 -6.068 3.502 11.615 1.00 53.01 N ATOM 453 CA LYS A 29 -6.108 4.803 10.951 1.00 53.24 C ATOM 454 C LYS A 29 -6.749 5.834 11.869 1.00 15.32 C ATOM 455 O LYS A 29 -6.447 7.025 11.796 1.00 61.42 O ATOM 456 CB LYS A 29 -6.912 4.680 9.647 1.00 64.24 C ATOM 457 CG LYS A 29 -7.100 6.049 8.972 1.00 14.12 C ATOM 458 CD LYS A 29 -5.774 6.539 8.380 1.00 44.31 C ATOM 459 CE LYS A 29 -6.029 7.763 7.492 1.00 43.22 C ATOM 460 NZ LYS A 29 -4.875 7.956 6.569 1.00 33.11 N ATOM 0 H LYS A 29 -6.385 2.716 11.047 1.00 53.01 H new ATOM 0 HA LYS A 29 -5.093 5.127 10.720 1.00 53.24 H new ATOM 0 HB2 LYS A 29 -6.399 4.003 8.964 1.00 64.24 H new ATOM 0 HB3 LYS A 29 -7.887 4.240 9.859 1.00 64.24 H new ATOM 0 HG2 LYS A 29 -7.851 5.974 8.186 1.00 14.12 H new ATOM 0 HG3 LYS A 29 -7.471 6.772 9.699 1.00 14.12 H new ATOM 0 HD2 LYS A 29 -5.080 6.796 9.180 1.00 44.31 H new ATOM 0 HD3 LYS A 29 -5.309 5.744 7.797 1.00 44.31 H new ATOM 0 HE2 LYS A 29 -6.947 7.626 6.920 1.00 43.22 H new ATOM 0 HE3 LYS A 29 -6.167 8.651 8.109 1.00 43.22 H new ATOM 0 HZ1 LYS A 29 -5.197 8.440 5.707 1.00 33.11 H new ATOM 0 HZ2 LYS A 29 -4.148 8.532 7.038 1.00 33.11 H new ATOM 0 HZ3 LYS A 29 -4.474 7.030 6.317 1.00 33.11 H new ATOM 474 N ASP A 30 -7.646 5.363 12.716 1.00 25.34 N ATOM 475 CA ASP A 30 -8.351 6.239 13.636 1.00 24.43 C ATOM 476 C ASP A 30 -7.419 6.841 14.688 1.00 2.55 C ATOM 477 O ASP A 30 -7.703 7.916 15.216 1.00 42.30 O ATOM 478 CB ASP A 30 -9.467 5.462 14.336 1.00 21.02 C ATOM 479 CG ASP A 30 -10.323 6.414 15.166 1.00 23.24 C ATOM 480 OD1 ASP A 30 -10.097 7.609 15.081 1.00 74.02 O ATOM 481 OD2 ASP A 30 -11.192 5.933 15.873 1.00 64.35 O ATOM 0 H ASP A 30 -7.904 4.379 12.787 1.00 25.34 H new ATOM 0 HA ASP A 30 -8.768 7.058 13.051 1.00 24.43 H new ATOM 0 HB2 ASP A 30 -10.086 4.953 13.597 1.00 21.02 H new ATOM 0 HB3 ASP A 30 -9.038 4.692 14.977 1.00 21.02 H new ATOM 486 N LYS A 31 -6.326 6.146 15.027 1.00 21.32 N ATOM 487 CA LYS A 31 -5.422 6.663 16.059 1.00 0.23 C ATOM 488 C LYS A 31 -4.287 7.525 15.503 1.00 11.45 C ATOM 489 O LYS A 31 -3.702 8.305 16.253 1.00 4.11 O ATOM 490 CB LYS A 31 -4.873 5.524 16.944 1.00 43.32 C ATOM 491 CG LYS A 31 -3.783 4.718 16.221 1.00 62.53 C ATOM 492 CD LYS A 31 -2.396 5.405 16.347 1.00 44.01 C ATOM 493 CE LYS A 31 -1.753 5.576 14.960 1.00 10.32 C ATOM 494 NZ LYS A 31 -0.917 4.379 14.656 1.00 12.43 N ATOM 0 H LYS A 31 -6.053 5.253 14.617 1.00 21.32 H new ATOM 0 HA LYS A 31 -6.026 7.325 16.679 1.00 0.23 H new ATOM 0 HB2 LYS A 31 -4.466 5.942 17.865 1.00 43.32 H new ATOM 0 HB3 LYS A 31 -5.688 4.859 17.229 1.00 43.32 H new ATOM 0 HG2 LYS A 31 -3.733 3.713 16.640 1.00 62.53 H new ATOM 0 HG3 LYS A 31 -4.044 4.612 15.168 1.00 62.53 H new ATOM 0 HD2 LYS A 31 -2.507 6.378 16.825 1.00 44.01 H new ATOM 0 HD3 LYS A 31 -1.745 4.808 16.986 1.00 44.01 H new ATOM 0 HE2 LYS A 31 -2.525 5.697 14.200 1.00 10.32 H new ATOM 0 HE3 LYS A 31 -1.140 6.477 14.939 1.00 10.32 H new ATOM 0 HZ1 LYS A 31 -0.115 4.659 14.055 1.00 12.43 H new ATOM 0 HZ2 LYS A 31 -0.559 3.971 15.543 1.00 12.43 H new ATOM 0 HZ3 LYS A 31 -1.493 3.671 14.157 1.00 12.43 H new ATOM 508 N MET A 32 -3.953 7.416 14.215 1.00 31.34 N ATOM 509 CA MET A 32 -2.859 8.244 13.678 1.00 70.41 C ATOM 510 C MET A 32 -3.334 9.647 13.336 1.00 62.31 C ATOM 511 O MET A 32 -4.515 9.977 13.449 1.00 70.22 O ATOM 512 CB MET A 32 -2.209 7.624 12.418 1.00 62.10 C ATOM 513 CG MET A 32 -3.267 7.044 11.469 1.00 13.23 C ATOM 514 SD MET A 32 -2.529 5.698 10.504 1.00 11.22 S ATOM 515 CE MET A 32 -2.527 4.450 11.813 1.00 23.44 C ATOM 0 H MET A 32 -4.400 6.791 13.544 1.00 31.34 H new ATOM 0 HA MET A 32 -2.113 8.291 14.471 1.00 70.41 H new ATOM 0 HB2 MET A 32 -1.627 8.384 11.896 1.00 62.10 H new ATOM 0 HB3 MET A 32 -1.514 6.838 12.715 1.00 62.10 H new ATOM 0 HG2 MET A 32 -4.120 6.674 12.038 1.00 13.23 H new ATOM 0 HG3 MET A 32 -3.641 7.822 10.803 1.00 13.23 H new ATOM 0 HE1 MET A 32 -1.499 4.216 12.091 1.00 23.44 H new ATOM 0 HE2 MET A 32 -3.059 4.834 12.683 1.00 23.44 H new ATOM 0 HE3 MET A 32 -3.021 3.547 11.455 1.00 23.44 H new ATOM 525 N LYS A 33 -2.374 10.457 12.903 1.00 42.12 N ATOM 526 CA LYS A 33 -2.627 11.838 12.512 1.00 30.03 C ATOM 527 C LYS A 33 -2.192 12.043 11.064 1.00 12.20 C ATOM 528 O LYS A 33 -1.605 11.149 10.454 1.00 73.25 O ATOM 529 CB LYS A 33 -1.844 12.785 13.421 1.00 20.23 C ATOM 530 CG LYS A 33 -2.478 12.796 14.813 1.00 61.45 C ATOM 531 CD LYS A 33 -1.641 13.673 15.746 1.00 71.34 C ATOM 532 CE LYS A 33 -2.235 13.628 17.156 1.00 23.54 C ATOM 533 NZ LYS A 33 -1.486 14.566 18.040 1.00 3.44 N ATOM 0 H LYS A 33 -1.398 10.174 12.813 1.00 42.12 H new ATOM 0 HA LYS A 33 -3.692 12.050 12.606 1.00 30.03 H new ATOM 0 HB2 LYS A 33 -0.804 12.466 13.486 1.00 20.23 H new ATOM 0 HB3 LYS A 33 -1.844 13.791 13.002 1.00 20.23 H new ATOM 0 HG2 LYS A 33 -3.498 13.176 14.757 1.00 61.45 H new ATOM 0 HG3 LYS A 33 -2.537 11.781 15.206 1.00 61.45 H new ATOM 0 HD2 LYS A 33 -0.609 13.323 15.763 1.00 71.34 H new ATOM 0 HD3 LYS A 33 -1.623 14.699 15.380 1.00 71.34 H new ATOM 0 HE2 LYS A 33 -3.290 13.902 17.127 1.00 23.54 H new ATOM 0 HE3 LYS A 33 -2.180 12.614 17.553 1.00 23.54 H new ATOM 0 HZ1 LYS A 33 -1.192 14.068 18.905 1.00 3.44 H new ATOM 0 HZ2 LYS A 33 -0.644 14.917 17.540 1.00 3.44 H new ATOM 0 HZ3 LYS A 33 -2.098 15.368 18.293 1.00 3.44 H new ATOM 547 N MET A 34 -2.510 13.197 10.505 1.00 41.31 N ATOM 548 CA MET A 34 -2.194 13.496 9.122 1.00 33.10 C ATOM 549 C MET A 34 -0.752 13.137 8.774 1.00 63.21 C ATOM 550 O MET A 34 0.171 13.328 9.562 1.00 52.35 O ATOM 551 CB MET A 34 -2.371 15.001 8.960 1.00 34.15 C ATOM 552 CG MET A 34 -2.279 15.406 7.495 1.00 52.42 C ATOM 553 SD MET A 34 -3.130 16.994 7.248 1.00 55.42 S ATOM 554 CE MET A 34 -4.793 16.506 7.779 1.00 62.44 C ATOM 0 H MET A 34 -2.993 13.950 10.996 1.00 41.31 H new ATOM 0 HA MET A 34 -2.842 12.917 8.464 1.00 33.10 H new ATOM 0 HB2 MET A 34 -3.337 15.303 9.365 1.00 34.15 H new ATOM 0 HB3 MET A 34 -1.607 15.525 9.535 1.00 34.15 H new ATOM 0 HG2 MET A 34 -1.234 15.491 7.195 1.00 52.42 H new ATOM 0 HG3 MET A 34 -2.730 14.638 6.866 1.00 52.42 H new ATOM 0 HE1 MET A 34 -5.529 16.903 7.080 1.00 62.44 H new ATOM 0 HE2 MET A 34 -4.863 15.419 7.801 1.00 62.44 H new ATOM 0 HE3 MET A 34 -4.988 16.902 8.776 1.00 62.44 H new ATOM 564 N ALA A 35 -0.602 12.583 7.568 1.00 21.44 N ATOM 565 CA ALA A 35 0.689 12.138 7.051 1.00 44.20 C ATOM 566 C ALA A 35 1.030 12.872 5.758 1.00 64.15 C ATOM 567 O ALA A 35 0.182 13.547 5.173 1.00 44.52 O ATOM 568 CB ALA A 35 0.652 10.629 6.797 1.00 54.02 C ATOM 0 H ALA A 35 -1.377 12.431 6.923 1.00 21.44 H new ATOM 0 HA ALA A 35 1.457 12.362 7.791 1.00 44.20 H new ATOM 0 HB1 ALA A 35 1.617 10.301 6.411 1.00 54.02 H new ATOM 0 HB2 ALA A 35 0.438 10.108 7.730 1.00 54.02 H new ATOM 0 HB3 ALA A 35 -0.126 10.402 6.068 1.00 54.02 H new ATOM 574 N MET A 36 2.281 12.739 5.321 1.00 5.10 N ATOM 575 CA MET A 36 2.736 13.400 4.096 1.00 73.22 C ATOM 576 C MET A 36 3.457 12.401 3.194 1.00 60.32 C ATOM 577 O MET A 36 3.801 11.298 3.619 1.00 53.43 O ATOM 578 CB MET A 36 3.679 14.579 4.429 1.00 61.43 C ATOM 579 CG MET A 36 3.951 14.641 5.935 1.00 31.25 C ATOM 580 SD MET A 36 2.468 15.223 6.797 1.00 13.52 S ATOM 581 CE MET A 36 3.026 14.897 8.491 1.00 33.51 C ATOM 0 H MET A 36 2.995 12.183 5.792 1.00 5.10 H new ATOM 0 HA MET A 36 1.862 13.789 3.573 1.00 73.22 H new ATOM 0 HB2 MET A 36 4.619 14.464 3.888 1.00 61.43 H new ATOM 0 HB3 MET A 36 3.232 15.515 4.096 1.00 61.43 H new ATOM 0 HG2 MET A 36 4.235 13.656 6.304 1.00 31.25 H new ATOM 0 HG3 MET A 36 4.787 15.310 6.136 1.00 31.25 H new ATOM 0 HE1 MET A 36 2.258 14.338 9.026 1.00 33.51 H new ATOM 0 HE2 MET A 36 3.947 14.315 8.465 1.00 33.51 H new ATOM 0 HE3 MET A 36 3.209 15.842 9.002 1.00 33.51 H new ATOM 591 N ALA A 37 3.673 12.799 1.944 1.00 51.34 N ATOM 592 CA ALA A 37 4.344 11.931 0.980 1.00 13.33 C ATOM 593 C ALA A 37 5.018 12.748 -0.123 1.00 20.11 C ATOM 594 O ALA A 37 4.684 13.910 -0.343 1.00 53.12 O ATOM 595 CB ALA A 37 3.327 10.962 0.371 1.00 24.41 C ATOM 0 H ALA A 37 3.396 13.709 1.576 1.00 51.34 H new ATOM 0 HA ALA A 37 5.119 11.369 1.501 1.00 13.33 H new ATOM 0 HB1 ALA A 37 3.828 10.314 -0.349 1.00 24.41 H new ATOM 0 HB2 ALA A 37 2.885 10.354 1.161 1.00 24.41 H new ATOM 0 HB3 ALA A 37 2.543 11.527 -0.133 1.00 24.41 H new ATOM 601 N ARG A 38 5.989 12.133 -0.794 1.00 10.24 N ATOM 602 CA ARG A 38 6.736 12.806 -1.864 1.00 73.45 C ATOM 603 C ARG A 38 6.813 11.894 -3.077 1.00 34.33 C ATOM 604 O ARG A 38 7.223 10.743 -2.951 1.00 62.01 O ATOM 605 CB ARG A 38 8.151 13.141 -1.351 1.00 70.14 C ATOM 606 CG ARG A 38 9.117 13.432 -2.511 1.00 11.32 C ATOM 607 CD ARG A 38 8.608 14.622 -3.317 1.00 44.30 C ATOM 608 NE ARG A 38 9.604 15.032 -4.299 1.00 70.55 N ATOM 609 CZ ARG A 38 10.661 15.753 -3.945 1.00 72.44 C ATOM 610 NH1 ARG A 38 10.821 16.109 -2.699 1.00 51.41 N ATOM 611 NH2 ARG A 38 11.540 16.107 -4.843 1.00 42.02 N ATOM 0 H ARG A 38 6.280 11.171 -0.619 1.00 10.24 H new ATOM 0 HA ARG A 38 6.232 13.728 -2.153 1.00 73.45 H new ATOM 0 HB2 ARG A 38 8.104 14.006 -0.690 1.00 70.14 H new ATOM 0 HB3 ARG A 38 8.531 12.308 -0.760 1.00 70.14 H new ATOM 0 HG2 ARG A 38 10.114 13.643 -2.123 1.00 11.32 H new ATOM 0 HG3 ARG A 38 9.204 12.556 -3.153 1.00 11.32 H new ATOM 0 HD2 ARG A 38 7.678 14.358 -3.821 1.00 44.30 H new ATOM 0 HD3 ARG A 38 8.383 15.453 -2.649 1.00 44.30 H new ATOM 0 HE ARG A 38 9.487 14.760 -5.275 1.00 70.55 H new ATOM 0 HH11 ARG A 38 10.134 15.833 -1.998 1.00 51.41 H new ATOM 0 HH12 ARG A 38 11.633 16.663 -2.427 1.00 51.41 H new ATOM 0 HH21 ARG A 38 11.415 15.830 -5.817 1.00 42.02 H new ATOM 0 HH22 ARG A 38 12.352 16.661 -4.571 1.00 42.02 H new ATOM 625 N ILE A 39 6.415 12.386 -4.253 1.00 25.42 N ATOM 626 CA ILE A 39 6.429 11.596 -5.478 1.00 20.44 C ATOM 627 C ILE A 39 7.347 12.256 -6.499 1.00 41.22 C ATOM 628 O ILE A 39 7.415 13.484 -6.567 1.00 34.24 O ATOM 629 CB ILE A 39 5.017 11.567 -6.006 1.00 51.52 C ATOM 630 CG1 ILE A 39 4.844 10.617 -7.188 1.00 72.33 C ATOM 631 CG2 ILE A 39 4.635 12.945 -6.447 1.00 52.40 C ATOM 632 CD1 ILE A 39 3.377 10.176 -7.214 1.00 61.20 C ATOM 0 H ILE A 39 6.076 13.340 -4.378 1.00 25.42 H new ATOM 0 HA ILE A 39 6.792 10.586 -5.288 1.00 20.44 H new ATOM 0 HB ILE A 39 4.379 11.210 -5.198 1.00 51.52 H new ATOM 0 HG12 ILE A 39 5.112 11.113 -8.121 1.00 72.33 H new ATOM 0 HG13 ILE A 39 5.502 9.754 -7.086 1.00 72.33 H new ATOM 0 HG21 ILE A 39 3.615 12.934 -6.831 1.00 52.40 H new ATOM 0 HG22 ILE A 39 4.697 13.628 -5.600 1.00 52.40 H new ATOM 0 HG23 ILE A 39 5.314 13.277 -7.232 1.00 52.40 H new ATOM 0 HD11 ILE A 39 3.217 9.494 -8.049 1.00 61.20 H new ATOM 0 HD12 ILE A 39 3.133 9.670 -6.280 1.00 61.20 H new ATOM 0 HD13 ILE A 39 2.736 11.050 -7.331 1.00 61.20 H new ATOM 644 N SER A 40 8.051 11.472 -7.287 1.00 55.20 N ATOM 645 CA SER A 40 8.934 12.052 -8.284 1.00 63.41 C ATOM 646 C SER A 40 9.153 11.078 -9.434 1.00 50.51 C ATOM 647 O SER A 40 8.864 9.888 -9.312 1.00 24.20 O ATOM 648 CB SER A 40 10.249 12.448 -7.641 1.00 72.31 C ATOM 649 OG SER A 40 9.986 13.213 -6.471 1.00 21.15 O ATOM 0 H SER A 40 8.034 10.452 -7.262 1.00 55.20 H new ATOM 0 HA SER A 40 8.469 12.949 -8.694 1.00 63.41 H new ATOM 0 HB2 SER A 40 10.825 11.559 -7.386 1.00 72.31 H new ATOM 0 HB3 SER A 40 10.850 13.028 -8.342 1.00 72.31 H new ATOM 0 HG SER A 40 9.143 13.700 -6.581 1.00 21.15 H new ATOM 655 N PHE A 41 9.622 11.596 -10.568 1.00 13.21 N ATOM 656 CA PHE A 41 9.820 10.758 -11.748 1.00 73.23 C ATOM 657 C PHE A 41 11.261 10.279 -11.916 1.00 22.01 C ATOM 658 O PHE A 41 12.047 10.891 -12.640 1.00 31.42 O ATOM 659 CB PHE A 41 9.412 11.539 -12.998 1.00 43.55 C ATOM 660 CG PHE A 41 7.945 11.888 -12.922 1.00 32.33 C ATOM 661 CD1 PHE A 41 7.532 13.026 -12.220 1.00 3.33 C ATOM 662 CD2 PHE A 41 6.998 11.074 -13.555 1.00 22.43 C ATOM 663 CE1 PHE A 41 6.171 13.350 -12.151 1.00 21.03 C ATOM 664 CE2 PHE A 41 5.638 11.398 -13.485 1.00 14.24 C ATOM 665 CZ PHE A 41 5.225 12.536 -12.784 1.00 11.12 C ATOM 0 H PHE A 41 9.869 12.578 -10.694 1.00 13.21 H new ATOM 0 HA PHE A 41 9.199 9.873 -11.611 1.00 73.23 H new ATOM 0 HB2 PHE A 41 10.008 12.448 -13.082 1.00 43.55 H new ATOM 0 HB3 PHE A 41 9.609 10.945 -13.890 1.00 43.55 H new ATOM 0 HD1 PHE A 41 8.262 13.654 -11.732 1.00 3.33 H new ATOM 0 HD2 PHE A 41 7.317 10.196 -14.097 1.00 22.43 H new ATOM 0 HE1 PHE A 41 5.852 14.228 -11.609 1.00 21.03 H new ATOM 0 HE2 PHE A 41 4.907 10.769 -13.972 1.00 14.24 H new ATOM 0 HZ PHE A 41 4.176 12.786 -12.731 1.00 11.12 H new ATOM 675 N LEU A 42 11.585 9.148 -11.292 1.00 72.14 N ATOM 676 CA LEU A 42 12.920 8.577 -11.448 1.00 3.31 C ATOM 677 C LEU A 42 13.133 8.329 -12.932 1.00 2.14 C ATOM 678 O LEU A 42 14.214 8.544 -13.483 1.00 13.22 O ATOM 679 CB LEU A 42 13.038 7.240 -10.708 1.00 63.03 C ATOM 680 CG LEU A 42 13.063 7.454 -9.188 1.00 43.54 C ATOM 681 CD1 LEU A 42 12.630 6.157 -8.485 1.00 20.50 C ATOM 682 CD2 LEU A 42 14.482 7.832 -8.733 1.00 1.35 C ATOM 0 H LEU A 42 10.957 8.619 -10.687 1.00 72.14 H new ATOM 0 HA LEU A 42 13.661 9.262 -11.037 1.00 3.31 H new ATOM 0 HB2 LEU A 42 12.199 6.597 -10.975 1.00 63.03 H new ATOM 0 HB3 LEU A 42 13.946 6.725 -11.022 1.00 63.03 H new ATOM 0 HG LEU A 42 12.378 8.261 -8.928 1.00 43.54 H new ATOM 0 HD11 LEU A 42 12.647 6.305 -7.405 1.00 20.50 H new ATOM 0 HD12 LEU A 42 11.620 5.892 -8.799 1.00 20.50 H new ATOM 0 HD13 LEU A 42 13.316 5.353 -8.751 1.00 20.50 H new ATOM 0 HD21 LEU A 42 14.490 7.982 -7.653 1.00 1.35 H new ATOM 0 HD22 LEU A 42 15.173 7.030 -8.993 1.00 1.35 H new ATOM 0 HD23 LEU A 42 14.790 8.752 -9.229 1.00 1.35 H new ATOM 694 N GLY A 43 12.054 7.880 -13.556 1.00 24.41 N ATOM 695 CA GLY A 43 12.021 7.586 -14.980 1.00 32.34 C ATOM 696 C GLY A 43 10.573 7.361 -15.405 1.00 5.31 C ATOM 697 O GLY A 43 9.713 7.101 -14.563 1.00 55.24 O ATOM 0 H GLY A 43 11.167 7.708 -13.082 1.00 24.41 H new ATOM 0 HA2 GLY A 43 12.456 8.410 -15.545 1.00 32.34 H new ATOM 0 HA3 GLY A 43 12.619 6.701 -15.196 1.00 32.34 H new ATOM 701 N GLU A 44 10.295 7.464 -16.696 1.00 61.02 N ATOM 702 CA GLU A 44 8.931 7.268 -17.177 1.00 43.32 C ATOM 703 C GLU A 44 8.361 5.963 -16.635 1.00 4.12 C ATOM 704 O GLU A 44 7.160 5.856 -16.387 1.00 13.41 O ATOM 705 CB GLU A 44 8.906 7.249 -18.705 1.00 42.22 C ATOM 706 CG GLU A 44 9.396 8.596 -19.241 1.00 2.53 C ATOM 707 CD GLU A 44 9.386 8.584 -20.766 1.00 3.44 C ATOM 708 OE1 GLU A 44 9.225 7.515 -21.330 1.00 22.15 O ATOM 709 OE2 GLU A 44 9.540 9.646 -21.347 1.00 73.24 O ATOM 0 H GLU A 44 10.981 7.678 -17.420 1.00 61.02 H new ATOM 0 HA GLU A 44 8.318 8.096 -16.822 1.00 43.32 H new ATOM 0 HB2 GLU A 44 9.539 6.445 -19.080 1.00 42.22 H new ATOM 0 HB3 GLU A 44 7.895 7.050 -19.060 1.00 42.22 H new ATOM 0 HG2 GLU A 44 8.757 9.398 -18.871 1.00 2.53 H new ATOM 0 HG3 GLU A 44 10.404 8.797 -18.877 1.00 2.53 H new ATOM 716 N ASP A 45 9.232 4.976 -16.441 1.00 41.50 N ATOM 717 CA ASP A 45 8.811 3.679 -15.914 1.00 21.20 C ATOM 718 C ASP A 45 9.333 3.497 -14.495 1.00 63.11 C ATOM 719 O ASP A 45 9.386 2.380 -13.980 1.00 64.22 O ATOM 720 CB ASP A 45 9.328 2.547 -16.811 1.00 33.33 C ATOM 721 CG ASP A 45 10.655 2.948 -17.448 1.00 41.45 C ATOM 722 OD1 ASP A 45 10.693 3.983 -18.094 1.00 62.25 O ATOM 723 OD2 ASP A 45 11.615 2.213 -17.282 1.00 71.02 O ATOM 0 H ASP A 45 10.230 5.048 -16.640 1.00 41.50 H new ATOM 0 HA ASP A 45 7.722 3.645 -15.899 1.00 21.20 H new ATOM 0 HB2 ASP A 45 9.457 1.638 -16.224 1.00 33.33 H new ATOM 0 HB3 ASP A 45 8.596 2.324 -17.587 1.00 33.33 H new ATOM 728 N GLU A 46 9.717 4.604 -13.865 1.00 61.05 N ATOM 729 CA GLU A 46 10.232 4.556 -12.502 1.00 11.53 C ATOM 730 C GLU A 46 9.846 5.811 -11.731 1.00 61.35 C ATOM 731 O GLU A 46 10.242 6.918 -12.090 1.00 31.14 O ATOM 732 CB GLU A 46 11.757 4.427 -12.529 1.00 1.23 C ATOM 733 CG GLU A 46 12.157 3.254 -13.424 1.00 54.41 C ATOM 734 CD GLU A 46 13.648 2.969 -13.275 1.00 4.10 C ATOM 735 OE1 GLU A 46 14.322 3.766 -12.645 1.00 35.14 O ATOM 736 OE2 GLU A 46 14.091 1.957 -13.793 1.00 24.22 O ATOM 0 H GLU A 46 9.681 5.538 -14.274 1.00 61.05 H new ATOM 0 HA GLU A 46 9.796 3.691 -12.002 1.00 11.53 H new ATOM 0 HB2 GLU A 46 12.203 5.349 -12.900 1.00 1.23 H new ATOM 0 HB3 GLU A 46 12.137 4.273 -11.519 1.00 1.23 H new ATOM 0 HG2 GLU A 46 11.581 2.368 -13.156 1.00 54.41 H new ATOM 0 HG3 GLU A 46 11.924 3.483 -14.464 1.00 54.41 H new ATOM 743 N LEU A 47 9.077 5.627 -10.660 1.00 71.31 N ATOM 744 CA LEU A 47 8.642 6.744 -9.822 1.00 10.13 C ATOM 745 C LEU A 47 8.957 6.443 -8.363 1.00 4.12 C ATOM 746 O LEU A 47 8.826 5.304 -7.918 1.00 72.11 O ATOM 747 CB LEU A 47 7.132 6.972 -9.951 1.00 22.32 C ATOM 748 CG LEU A 47 6.686 6.871 -11.411 1.00 12.11 C ATOM 749 CD1 LEU A 47 5.163 6.858 -11.450 1.00 62.32 C ATOM 750 CD2 LEU A 47 7.195 8.077 -12.206 1.00 41.54 C ATOM 0 H LEU A 47 8.742 4.715 -10.351 1.00 71.31 H new ATOM 0 HA LEU A 47 9.171 7.638 -10.153 1.00 10.13 H new ATOM 0 HB2 LEU A 47 6.597 6.236 -9.352 1.00 22.32 H new ATOM 0 HB3 LEU A 47 6.874 7.954 -9.555 1.00 22.32 H new ATOM 0 HG LEU A 47 7.091 5.960 -11.852 1.00 12.11 H new ATOM 0 HD11 LEU A 47 4.826 6.786 -12.484 1.00 62.32 H new ATOM 0 HD12 LEU A 47 4.792 6.001 -10.887 1.00 62.32 H new ATOM 0 HD13 LEU A 47 4.780 7.777 -11.006 1.00 62.32 H new ATOM 0 HD21 LEU A 47 6.871 7.992 -13.243 1.00 41.54 H new ATOM 0 HD22 LEU A 47 6.793 8.993 -11.774 1.00 41.54 H new ATOM 0 HD23 LEU A 47 8.284 8.105 -12.168 1.00 41.54 H new ATOM 762 N LYS A 48 9.364 7.465 -7.620 1.00 22.02 N ATOM 763 CA LYS A 48 9.686 7.287 -6.205 1.00 31.55 C ATOM 764 C LYS A 48 8.597 7.908 -5.338 1.00 12.40 C ATOM 765 O LYS A 48 8.385 9.116 -5.392 1.00 65.42 O ATOM 766 CB LYS A 48 11.032 7.963 -5.901 1.00 74.40 C ATOM 767 CG LYS A 48 11.679 7.331 -4.663 1.00 43.45 C ATOM 768 CD LYS A 48 13.122 7.831 -4.538 1.00 31.23 C ATOM 769 CE LYS A 48 13.131 9.354 -4.372 1.00 60.11 C ATOM 770 NZ LYS A 48 14.413 9.775 -3.740 1.00 23.24 N ATOM 0 H LYS A 48 9.479 8.417 -7.967 1.00 22.02 H new ATOM 0 HA LYS A 48 9.751 6.222 -5.984 1.00 31.55 H new ATOM 0 HB2 LYS A 48 11.698 7.864 -6.758 1.00 74.40 H new ATOM 0 HB3 LYS A 48 10.882 9.030 -5.736 1.00 74.40 H new ATOM 0 HG2 LYS A 48 11.113 7.591 -3.769 1.00 43.45 H new ATOM 0 HG3 LYS A 48 11.664 6.244 -4.745 1.00 43.45 H new ATOM 0 HD2 LYS A 48 13.607 7.360 -3.683 1.00 31.23 H new ATOM 0 HD3 LYS A 48 13.692 7.549 -5.423 1.00 31.23 H new ATOM 0 HE2 LYS A 48 13.015 9.837 -5.342 1.00 60.11 H new ATOM 0 HE3 LYS A 48 12.289 9.669 -3.756 1.00 60.11 H new ATOM 0 HZ1 LYS A 48 14.629 10.755 -4.012 1.00 23.24 H new ATOM 0 HZ2 LYS A 48 14.327 9.714 -2.705 1.00 23.24 H new ATOM 0 HZ3 LYS A 48 15.180 9.150 -4.061 1.00 23.24 H new ATOM 784 N VAL A 49 7.930 7.089 -4.517 1.00 14.01 N ATOM 785 CA VAL A 49 6.884 7.599 -3.624 1.00 20.43 C ATOM 786 C VAL A 49 7.267 7.322 -2.181 1.00 3.24 C ATOM 787 O VAL A 49 7.835 6.281 -1.852 1.00 52.54 O ATOM 788 CB VAL A 49 5.497 7.015 -3.991 1.00 44.02 C ATOM 789 CG1 VAL A 49 4.623 6.780 -2.759 1.00 75.03 C ATOM 790 CG2 VAL A 49 4.765 8.015 -4.877 1.00 0.14 C ATOM 0 H VAL A 49 8.093 6.084 -4.452 1.00 14.01 H new ATOM 0 HA VAL A 49 6.801 8.679 -3.749 1.00 20.43 H new ATOM 0 HB VAL A 49 5.667 6.061 -4.491 1.00 44.02 H new ATOM 0 HG11 VAL A 49 3.661 6.370 -3.068 1.00 75.03 H new ATOM 0 HG12 VAL A 49 5.119 6.077 -2.090 1.00 75.03 H new ATOM 0 HG13 VAL A 49 4.465 7.725 -2.240 1.00 75.03 H new ATOM 0 HG21 VAL A 49 3.786 7.617 -5.143 1.00 0.14 H new ATOM 0 HG22 VAL A 49 4.640 8.955 -4.339 1.00 0.14 H new ATOM 0 HG23 VAL A 49 5.344 8.190 -5.784 1.00 0.14 H new ATOM 800 N SER A 50 7.011 8.316 -1.349 1.00 72.14 N ATOM 801 CA SER A 50 7.384 8.263 0.054 1.00 75.02 C ATOM 802 C SER A 50 6.201 8.491 0.982 1.00 4.34 C ATOM 803 O SER A 50 5.260 9.201 0.634 1.00 74.01 O ATOM 804 CB SER A 50 8.394 9.369 0.274 1.00 34.44 C ATOM 805 OG SER A 50 8.999 9.225 1.551 1.00 73.43 O ATOM 0 H SER A 50 6.541 9.178 -1.625 1.00 72.14 H new ATOM 0 HA SER A 50 7.781 7.273 0.281 1.00 75.02 H new ATOM 0 HB2 SER A 50 9.156 9.337 -0.505 1.00 34.44 H new ATOM 0 HB3 SER A 50 7.904 10.340 0.201 1.00 34.44 H new ATOM 0 HG SER A 50 8.780 8.344 1.919 1.00 73.43 H new ATOM 811 N TYR A 51 6.282 7.910 2.185 1.00 10.20 N ATOM 812 CA TYR A 51 5.231 8.078 3.188 1.00 41.44 C ATOM 813 C TYR A 51 5.824 8.611 4.490 1.00 60.13 C ATOM 814 O TYR A 51 6.827 8.092 4.981 1.00 44.53 O ATOM 815 CB TYR A 51 4.546 6.740 3.505 1.00 53.10 C ATOM 816 CG TYR A 51 4.353 5.921 2.253 1.00 1.24 C ATOM 817 CD1 TYR A 51 3.744 6.485 1.132 1.00 1.03 C ATOM 818 CD2 TYR A 51 4.765 4.581 2.226 1.00 14.40 C ATOM 819 CE1 TYR A 51 3.546 5.712 -0.015 1.00 5.12 C ATOM 820 CE2 TYR A 51 4.571 3.812 1.076 1.00 23.14 C ATOM 821 CZ TYR A 51 3.961 4.378 -0.045 1.00 5.10 C ATOM 822 OH TYR A 51 3.760 3.619 -1.180 1.00 41.31 O ATOM 0 H TYR A 51 7.061 7.323 2.484 1.00 10.20 H new ATOM 0 HA TYR A 51 4.504 8.778 2.777 1.00 41.44 H new ATOM 0 HB2 TYR A 51 5.148 6.180 4.221 1.00 53.10 H new ATOM 0 HB3 TYR A 51 3.580 6.924 3.976 1.00 53.10 H new ATOM 0 HD1 TYR A 51 3.426 7.517 1.151 1.00 1.03 H new ATOM 0 HD2 TYR A 51 5.233 4.143 3.095 1.00 14.40 H new ATOM 0 HE1 TYR A 51 3.070 6.147 -0.882 1.00 5.12 H new ATOM 0 HE2 TYR A 51 4.892 2.781 1.054 1.00 23.14 H new ATOM 0 HH TYR A 51 4.219 4.037 -1.938 1.00 41.31 H new ATOM 832 N ALA A 52 5.184 9.625 5.061 1.00 1.20 N ATOM 833 CA ALA A 52 5.635 10.200 6.326 1.00 61.54 C ATOM 834 C ALA A 52 4.481 10.163 7.320 1.00 33.01 C ATOM 835 O ALA A 52 3.497 10.884 7.159 1.00 4.12 O ATOM 836 CB ALA A 52 6.106 11.644 6.111 1.00 64.52 C ATOM 0 H ALA A 52 4.352 10.067 4.670 1.00 1.20 H new ATOM 0 HA ALA A 52 6.473 9.622 6.716 1.00 61.54 H new ATOM 0 HB1 ALA A 52 6.440 12.063 7.060 1.00 64.52 H new ATOM 0 HB2 ALA A 52 6.931 11.655 5.399 1.00 64.52 H new ATOM 0 HB3 ALA A 52 5.282 12.241 5.721 1.00 64.52 H new ATOM 842 N VAL A 53 4.587 9.302 8.335 1.00 1.11 N ATOM 843 CA VAL A 53 3.523 9.165 9.328 1.00 2.13 C ATOM 844 C VAL A 53 3.988 9.653 10.707 1.00 53.41 C ATOM 845 O VAL A 53 4.909 9.075 11.292 1.00 65.45 O ATOM 846 CB VAL A 53 3.122 7.689 9.426 1.00 3.43 C ATOM 847 CG1 VAL A 53 1.719 7.572 10.029 1.00 41.12 C ATOM 848 CG2 VAL A 53 3.129 7.068 8.026 1.00 53.35 C ATOM 0 H VAL A 53 5.392 8.695 8.489 1.00 1.11 H new ATOM 0 HA VAL A 53 2.674 9.773 9.016 1.00 2.13 H new ATOM 0 HB VAL A 53 3.832 7.163 10.064 1.00 3.43 H new ATOM 0 HG11 VAL A 53 1.439 6.521 10.097 1.00 41.12 H new ATOM 0 HG12 VAL A 53 1.713 8.014 11.025 1.00 41.12 H new ATOM 0 HG13 VAL A 53 1.005 8.098 9.395 1.00 41.12 H new ATOM 0 HG21 VAL A 53 2.844 6.018 8.092 1.00 53.35 H new ATOM 0 HG22 VAL A 53 2.419 7.597 7.390 1.00 53.35 H new ATOM 0 HG23 VAL A 53 4.128 7.146 7.598 1.00 53.35 H new ATOM 858 N PRO A 54 3.374 10.684 11.248 1.00 24.31 N ATOM 859 CA PRO A 54 3.744 11.217 12.588 1.00 4.44 C ATOM 860 C PRO A 54 3.079 10.432 13.714 1.00 44.22 C ATOM 861 O PRO A 54 1.853 10.399 13.820 1.00 43.31 O ATOM 862 CB PRO A 54 3.226 12.652 12.539 1.00 70.12 C ATOM 863 CG PRO A 54 2.014 12.585 11.672 1.00 63.40 C ATOM 864 CD PRO A 54 2.272 11.467 10.653 1.00 21.22 C ATOM 0 HA PRO A 54 4.813 11.147 12.790 1.00 4.44 H new ATOM 0 HB2 PRO A 54 2.981 13.019 13.536 1.00 70.12 H new ATOM 0 HB3 PRO A 54 3.973 13.329 12.125 1.00 70.12 H new ATOM 0 HG2 PRO A 54 1.124 12.373 12.264 1.00 63.40 H new ATOM 0 HG3 PRO A 54 1.843 13.537 11.169 1.00 63.40 H new ATOM 0 HD2 PRO A 54 1.384 10.853 10.501 1.00 21.22 H new ATOM 0 HD3 PRO A 54 2.550 11.871 9.680 1.00 21.22 H new ATOM 872 N LYS A 55 3.896 9.801 14.549 1.00 32.12 N ATOM 873 CA LYS A 55 3.381 9.017 15.667 1.00 22.13 C ATOM 874 C LYS A 55 3.535 9.791 16.981 1.00 34.53 C ATOM 875 O LYS A 55 4.630 9.855 17.530 1.00 63.23 O ATOM 876 CB LYS A 55 4.155 7.700 15.767 1.00 52.02 C ATOM 877 CG LYS A 55 3.421 6.747 16.713 1.00 33.05 C ATOM 878 CD LYS A 55 4.274 5.498 16.941 1.00 65.33 C ATOM 879 CE LYS A 55 3.422 4.408 17.595 1.00 43.42 C ATOM 880 NZ LYS A 55 4.256 3.194 17.821 1.00 50.10 N ATOM 0 H LYS A 55 4.913 9.816 14.475 1.00 32.12 H new ATOM 0 HA LYS A 55 2.324 8.816 15.494 1.00 22.13 H new ATOM 0 HB2 LYS A 55 4.252 7.247 14.780 1.00 52.02 H new ATOM 0 HB3 LYS A 55 5.165 7.886 16.133 1.00 52.02 H new ATOM 0 HG2 LYS A 55 3.222 7.243 17.663 1.00 33.05 H new ATOM 0 HG3 LYS A 55 2.456 6.469 16.290 1.00 33.05 H new ATOM 0 HD2 LYS A 55 4.675 5.141 15.992 1.00 65.33 H new ATOM 0 HD3 LYS A 55 5.126 5.738 17.577 1.00 65.33 H new ATOM 0 HE2 LYS A 55 3.018 4.766 18.542 1.00 43.42 H new ATOM 0 HE3 LYS A 55 2.572 4.165 16.958 1.00 43.42 H new ATOM 0 HZ1 LYS A 55 3.677 2.453 18.265 1.00 50.10 H new ATOM 0 HZ2 LYS A 55 4.621 2.849 16.910 1.00 50.10 H new ATOM 0 HZ3 LYS A 55 5.053 3.432 18.445 1.00 50.10 H new ATOM 894 N PRO A 56 2.485 10.381 17.500 1.00 52.11 N ATOM 895 CA PRO A 56 2.562 11.145 18.777 1.00 72.53 C ATOM 896 C PRO A 56 3.476 10.472 19.803 1.00 42.15 C ATOM 897 O PRO A 56 3.945 11.115 20.743 1.00 61.53 O ATOM 898 CB PRO A 56 1.110 11.168 19.252 1.00 62.43 C ATOM 899 CG PRO A 56 0.300 11.173 17.994 1.00 42.35 C ATOM 900 CD PRO A 56 1.115 10.401 16.946 1.00 12.24 C ATOM 0 HA PRO A 56 2.991 12.138 18.645 1.00 72.53 H new ATOM 0 HB2 PRO A 56 0.881 10.298 19.867 1.00 62.43 H new ATOM 0 HB3 PRO A 56 0.905 12.050 19.858 1.00 62.43 H new ATOM 0 HG2 PRO A 56 -0.670 10.702 18.155 1.00 42.35 H new ATOM 0 HG3 PRO A 56 0.107 12.193 17.661 1.00 42.35 H new ATOM 0 HD2 PRO A 56 0.728 9.392 16.803 1.00 12.24 H new ATOM 0 HD3 PRO A 56 1.085 10.894 15.975 1.00 12.24 H new ATOM 908 N ASN A 57 3.727 9.176 19.617 1.00 21.20 N ATOM 909 CA ASN A 57 4.591 8.428 20.532 1.00 5.00 C ATOM 910 C ASN A 57 6.012 8.326 19.977 1.00 71.00 C ATOM 911 O ASN A 57 6.972 8.181 20.734 1.00 41.55 O ATOM 912 CB ASN A 57 4.027 7.023 20.745 1.00 61.55 C ATOM 913 CG ASN A 57 2.643 7.106 21.379 1.00 51.04 C ATOM 914 OD1 ASN A 57 1.700 6.475 20.901 1.00 74.33 O ATOM 915 ND2 ASN A 57 2.463 7.851 22.437 1.00 63.44 N ATOM 0 H ASN A 57 3.348 8.625 18.847 1.00 21.20 H new ATOM 0 HA ASN A 57 4.624 8.960 21.483 1.00 5.00 H new ATOM 0 HB2 ASN A 57 3.968 6.498 19.792 1.00 61.55 H new ATOM 0 HB3 ASN A 57 4.695 6.447 21.385 1.00 61.55 H new ATOM 0 HD21 ASN A 57 1.540 7.910 22.868 1.00 63.44 H new ATOM 0 HD22 ASN A 57 3.245 8.373 22.832 1.00 63.44 H new ATOM 922 N GLY A 58 6.137 8.404 18.654 1.00 21.40 N ATOM 923 CA GLY A 58 7.446 8.320 18.009 1.00 65.22 C ATOM 924 C GLY A 58 7.435 9.026 16.654 1.00 22.03 C ATOM 925 O GLY A 58 6.624 9.918 16.413 1.00 54.50 O ATOM 0 H GLY A 58 5.354 8.524 18.011 1.00 21.40 H new ATOM 0 HA2 GLY A 58 8.202 8.771 18.652 1.00 65.22 H new ATOM 0 HA3 GLY A 58 7.723 7.274 17.876 1.00 65.22 H new ATOM 929 N CYS A 59 8.343 8.625 15.771 1.00 54.34 N ATOM 930 CA CYS A 59 8.430 9.228 14.441 1.00 51.21 C ATOM 931 C CYS A 59 8.791 8.172 13.400 1.00 31.45 C ATOM 932 O CYS A 59 9.889 7.616 13.433 1.00 44.11 O ATOM 933 CB CYS A 59 9.489 10.330 14.441 1.00 1.22 C ATOM 934 SG CYS A 59 9.298 11.356 12.963 1.00 70.24 S ATOM 0 H CYS A 59 9.027 7.889 15.948 1.00 54.34 H new ATOM 0 HA CYS A 59 7.460 9.655 14.188 1.00 51.21 H new ATOM 0 HB2 CYS A 59 9.390 10.943 15.337 1.00 1.22 H new ATOM 0 HB3 CYS A 59 10.486 9.890 14.464 1.00 1.22 H new ATOM 939 N ARG A 60 7.868 7.896 12.475 1.00 40.34 N ATOM 940 CA ARG A 60 8.119 6.899 11.432 1.00 42.44 C ATOM 941 C ARG A 60 8.150 7.553 10.054 1.00 63.14 C ATOM 942 O ARG A 60 7.129 8.022 9.552 1.00 64.13 O ATOM 943 CB ARG A 60 7.021 5.833 11.459 1.00 33.31 C ATOM 944 CG ARG A 60 6.930 5.216 12.860 1.00 55.20 C ATOM 945 CD ARG A 60 8.208 4.424 13.174 1.00 43.01 C ATOM 946 NE ARG A 60 9.227 5.310 13.723 1.00 23.22 N ATOM 947 CZ ARG A 60 10.506 4.950 13.752 1.00 44.41 C ATOM 948 NH1 ARG A 60 10.869 3.787 13.284 1.00 33.41 N ATOM 949 NH2 ARG A 60 11.401 5.761 14.249 1.00 34.22 N ATOM 0 H ARG A 60 6.952 8.342 12.427 1.00 40.34 H new ATOM 0 HA ARG A 60 9.088 6.438 11.625 1.00 42.44 H new ATOM 0 HB2 ARG A 60 6.064 6.277 11.184 1.00 33.31 H new ATOM 0 HB3 ARG A 60 7.236 5.058 10.724 1.00 33.31 H new ATOM 0 HG2 ARG A 60 6.788 6.001 13.603 1.00 55.20 H new ATOM 0 HG3 ARG A 60 6.062 4.559 12.921 1.00 55.20 H new ATOM 0 HD2 ARG A 60 7.986 3.628 13.885 1.00 43.01 H new ATOM 0 HD3 ARG A 60 8.581 3.947 12.268 1.00 43.01 H new ATOM 0 HE ARG A 60 8.954 6.221 14.091 1.00 23.22 H new ATOM 0 HH11 ARG A 60 10.171 3.153 12.895 1.00 33.41 H new ATOM 0 HH12 ARG A 60 11.851 3.512 13.307 1.00 33.41 H new ATOM 0 HH21 ARG A 60 11.118 6.670 14.615 1.00 34.22 H new ATOM 0 HH22 ARG A 60 12.383 5.485 14.271 1.00 34.22 H new ATOM 963 N LYS A 61 9.333 7.570 9.446 1.00 74.25 N ATOM 964 CA LYS A 61 9.507 8.154 8.116 1.00 1.21 C ATOM 965 C LYS A 61 10.352 7.233 7.241 1.00 72.44 C ATOM 966 O LYS A 61 11.407 6.762 7.665 1.00 43.24 O ATOM 967 CB LYS A 61 10.186 9.523 8.230 1.00 73.32 C ATOM 968 CG LYS A 61 11.426 9.411 9.121 1.00 34.44 C ATOM 969 CD LYS A 61 12.040 10.798 9.315 1.00 35.33 C ATOM 970 CE LYS A 61 13.262 10.692 10.229 1.00 45.45 C ATOM 971 NZ LYS A 61 14.056 11.951 10.146 1.00 23.33 N ATOM 0 H LYS A 61 10.187 7.186 9.852 1.00 74.25 H new ATOM 0 HA LYS A 61 8.526 8.276 7.658 1.00 1.21 H new ATOM 0 HB2 LYS A 61 10.468 9.883 7.241 1.00 73.32 H new ATOM 0 HB3 LYS A 61 9.491 10.251 8.648 1.00 73.32 H new ATOM 0 HG2 LYS A 61 11.156 8.983 10.086 1.00 34.44 H new ATOM 0 HG3 LYS A 61 12.154 8.739 8.667 1.00 34.44 H new ATOM 0 HD2 LYS A 61 12.329 11.218 8.351 1.00 35.33 H new ATOM 0 HD3 LYS A 61 11.305 11.475 9.750 1.00 35.33 H new ATOM 0 HE2 LYS A 61 12.946 10.516 11.257 1.00 45.45 H new ATOM 0 HE3 LYS A 61 13.877 9.842 9.934 1.00 45.45 H new ATOM 0 HZ1 LYS A 61 14.887 11.879 10.767 1.00 23.33 H new ATOM 0 HZ2 LYS A 61 14.369 12.100 9.165 1.00 23.33 H new ATOM 0 HZ3 LYS A 61 13.467 12.753 10.447 1.00 23.33 H new ATOM 985 N TRP A 62 9.892 6.979 6.019 1.00 45.33 N ATOM 986 CA TRP A 62 10.635 6.112 5.108 1.00 74.52 C ATOM 987 C TRP A 62 10.274 6.420 3.652 1.00 14.12 C ATOM 988 O TRP A 62 9.385 7.228 3.378 1.00 0.00 O ATOM 989 CB TRP A 62 10.375 4.632 5.469 1.00 72.22 C ATOM 990 CG TRP A 62 9.484 3.965 4.468 1.00 40.11 C ATOM 991 CD1 TRP A 62 8.239 4.373 4.132 1.00 73.32 C ATOM 992 CD2 TRP A 62 9.748 2.769 3.680 1.00 70.44 C ATOM 993 NE1 TRP A 62 7.723 3.502 3.189 1.00 14.14 N ATOM 994 CE2 TRP A 62 8.618 2.496 2.876 1.00 2.15 C ATOM 995 CE3 TRP A 62 10.853 1.902 3.586 1.00 11.01 C ATOM 996 CZ2 TRP A 62 8.582 1.402 2.011 1.00 14.44 C ATOM 997 CZ3 TRP A 62 10.820 0.800 2.716 1.00 24.14 C ATOM 998 CH2 TRP A 62 9.687 0.551 1.930 1.00 70.52 C ATOM 0 H TRP A 62 9.022 7.354 5.640 1.00 45.33 H new ATOM 0 HA TRP A 62 11.703 6.303 5.217 1.00 74.52 H new ATOM 0 HB2 TRP A 62 11.324 4.099 5.523 1.00 72.22 H new ATOM 0 HB3 TRP A 62 9.919 4.573 6.457 1.00 72.22 H new ATOM 0 HD1 TRP A 62 7.731 5.237 4.534 1.00 73.32 H new ATOM 0 HE1 TRP A 62 6.795 3.591 2.775 1.00 14.14 H new ATOM 0 HE3 TRP A 62 11.732 2.085 4.187 1.00 11.01 H new ATOM 0 HZ2 TRP A 62 7.706 1.214 1.408 1.00 14.44 H new ATOM 0 HZ3 TRP A 62 11.673 0.141 2.652 1.00 24.14 H new ATOM 0 HH2 TRP A 62 9.668 -0.298 1.262 1.00 70.52 H new ATOM 1009 N GLU A 63 10.985 5.777 2.728 1.00 12.11 N ATOM 1010 CA GLU A 63 10.757 5.992 1.296 1.00 40.41 C ATOM 1011 C GLU A 63 10.369 4.689 0.602 1.00 43.12 C ATOM 1012 O GLU A 63 10.542 3.602 1.152 1.00 43.41 O ATOM 1013 CB GLU A 63 12.031 6.557 0.661 1.00 23.13 C ATOM 1014 CG GLU A 63 11.730 7.073 -0.748 1.00 20.21 C ATOM 1015 CD GLU A 63 12.894 7.926 -1.241 1.00 53.42 C ATOM 1016 OE1 GLU A 63 13.985 7.393 -1.358 1.00 63.30 O ATOM 1017 OE2 GLU A 63 12.677 9.100 -1.494 1.00 2.33 O ATOM 0 H GLU A 63 11.722 5.105 2.942 1.00 12.11 H new ATOM 0 HA GLU A 63 9.936 6.699 1.176 1.00 40.41 H new ATOM 0 HB2 GLU A 63 12.426 7.365 1.276 1.00 23.13 H new ATOM 0 HB3 GLU A 63 12.799 5.785 0.618 1.00 23.13 H new ATOM 0 HG2 GLU A 63 11.568 6.235 -1.426 1.00 20.21 H new ATOM 0 HG3 GLU A 63 10.812 7.661 -0.742 1.00 20.21 H new ATOM 1024 N THR A 64 9.835 4.812 -0.612 1.00 42.12 N ATOM 1025 CA THR A 64 9.411 3.646 -1.383 1.00 71.14 C ATOM 1026 C THR A 64 9.516 3.926 -2.882 1.00 41.23 C ATOM 1027 O THR A 64 9.265 5.045 -3.331 1.00 12.21 O ATOM 1028 CB THR A 64 7.967 3.296 -1.026 1.00 35.44 C ATOM 1029 OG1 THR A 64 7.817 3.305 0.386 1.00 34.22 O ATOM 1030 CG2 THR A 64 7.620 1.908 -1.571 1.00 54.24 C ATOM 0 H THR A 64 9.686 5.705 -1.081 1.00 42.12 H new ATOM 0 HA THR A 64 10.064 2.808 -1.139 1.00 71.14 H new ATOM 0 HB THR A 64 7.296 4.031 -1.469 1.00 35.44 H new ATOM 0 HG1 THR A 64 8.561 2.817 0.797 1.00 34.22 H new ATOM 0 HG21 THR A 64 6.589 1.663 -1.314 1.00 54.24 H new ATOM 0 HG22 THR A 64 7.734 1.904 -2.655 1.00 54.24 H new ATOM 0 HG23 THR A 64 8.289 1.167 -1.133 1.00 54.24 H new ATOM 1038 N THR A 65 9.895 2.904 -3.651 1.00 41.52 N ATOM 1039 CA THR A 65 10.040 3.053 -5.103 1.00 24.34 C ATOM 1040 C THR A 65 8.871 2.406 -5.847 1.00 43.03 C ATOM 1041 O THR A 65 8.559 1.237 -5.628 1.00 10.41 O ATOM 1042 CB THR A 65 11.350 2.405 -5.558 1.00 43.01 C ATOM 1043 OG1 THR A 65 12.430 2.958 -4.820 1.00 31.24 O ATOM 1044 CG2 THR A 65 11.560 2.668 -7.050 1.00 44.02 C ATOM 0 H THR A 65 10.106 1.971 -3.298 1.00 41.52 H new ATOM 0 HA THR A 65 10.048 4.118 -5.335 1.00 24.34 H new ATOM 0 HB THR A 65 11.304 1.330 -5.385 1.00 43.01 H new ATOM 0 HG1 THR A 65 13.270 2.543 -5.109 1.00 31.24 H new ATOM 0 HG21 THR A 65 12.493 2.206 -7.373 1.00 44.02 H new ATOM 0 HG22 THR A 65 10.730 2.243 -7.615 1.00 44.02 H new ATOM 0 HG23 THR A 65 11.607 3.743 -7.227 1.00 44.02 H new ATOM 1052 N PHE A 66 8.232 3.175 -6.734 1.00 12.55 N ATOM 1053 CA PHE A 66 7.099 2.677 -7.517 1.00 53.42 C ATOM 1054 C PHE A 66 7.420 2.754 -9.009 1.00 14.12 C ATOM 1055 O PHE A 66 7.950 3.758 -9.482 1.00 11.14 O ATOM 1056 CB PHE A 66 5.855 3.532 -7.227 1.00 20.52 C ATOM 1057 CG PHE A 66 5.180 3.056 -5.963 1.00 41.12 C ATOM 1058 CD1 PHE A 66 5.745 3.344 -4.717 1.00 62.12 C ATOM 1059 CD2 PHE A 66 3.984 2.332 -6.039 1.00 51.21 C ATOM 1060 CE1 PHE A 66 5.114 2.907 -3.547 1.00 10.11 C ATOM 1061 CE2 PHE A 66 3.354 1.896 -4.869 1.00 13.11 C ATOM 1062 CZ PHE A 66 3.920 2.183 -3.624 1.00 21.23 C ATOM 0 H PHE A 66 8.481 4.145 -6.927 1.00 12.55 H new ATOM 0 HA PHE A 66 6.908 1.640 -7.240 1.00 53.42 H new ATOM 0 HB2 PHE A 66 6.140 4.579 -7.124 1.00 20.52 H new ATOM 0 HB3 PHE A 66 5.160 3.472 -8.064 1.00 20.52 H new ATOM 0 HD1 PHE A 66 6.667 3.903 -4.658 1.00 62.12 H new ATOM 0 HD2 PHE A 66 3.548 2.110 -7.002 1.00 51.21 H new ATOM 0 HE1 PHE A 66 5.549 3.129 -2.584 1.00 10.11 H new ATOM 0 HE2 PHE A 66 2.431 1.338 -4.928 1.00 13.11 H new ATOM 0 HZ PHE A 66 3.435 1.845 -2.720 1.00 21.23 H new ATOM 1072 N LYS A 67 7.100 1.689 -9.749 1.00 4.55 N ATOM 1073 CA LYS A 67 7.365 1.654 -11.190 1.00 22.14 C ATOM 1074 C LYS A 67 6.064 1.554 -11.979 1.00 51.00 C ATOM 1075 O LYS A 67 5.101 0.936 -11.528 1.00 74.14 O ATOM 1076 CB LYS A 67 8.243 0.450 -11.537 1.00 64.21 C ATOM 1077 CG LYS A 67 9.629 0.604 -10.900 1.00 74.21 C ATOM 1078 CD LYS A 67 10.640 -0.226 -11.689 1.00 73.23 C ATOM 1079 CE LYS A 67 11.955 -0.312 -10.911 1.00 12.53 C ATOM 1080 NZ LYS A 67 12.284 1.028 -10.345 1.00 31.10 N ATOM 0 H LYS A 67 6.661 0.846 -9.378 1.00 4.55 H new ATOM 0 HA LYS A 67 7.878 2.578 -11.457 1.00 22.14 H new ATOM 0 HB2 LYS A 67 7.772 -0.467 -11.183 1.00 64.21 H new ATOM 0 HB3 LYS A 67 8.340 0.361 -12.619 1.00 64.21 H new ATOM 0 HG2 LYS A 67 9.926 1.653 -10.896 1.00 74.21 H new ATOM 0 HG3 LYS A 67 9.603 0.276 -9.861 1.00 74.21 H new ATOM 0 HD2 LYS A 67 10.245 -1.226 -11.866 1.00 73.23 H new ATOM 0 HD3 LYS A 67 10.813 0.226 -12.666 1.00 73.23 H new ATOM 0 HE2 LYS A 67 11.869 -1.046 -10.110 1.00 12.53 H new ATOM 0 HE3 LYS A 67 12.757 -0.649 -11.567 1.00 12.53 H new ATOM 0 HZ1 LYS A 67 13.298 1.070 -10.119 1.00 31.10 H new ATOM 0 HZ2 LYS A 67 12.054 1.765 -11.042 1.00 31.10 H new ATOM 0 HZ3 LYS A 67 11.729 1.185 -9.479 1.00 31.10 H new ATOM 1094 N LYS A 68 6.037 2.186 -13.149 1.00 42.54 N ATOM 1095 CA LYS A 68 4.836 2.179 -13.982 1.00 11.20 C ATOM 1096 C LYS A 68 4.614 0.816 -14.630 1.00 14.51 C ATOM 1097 O LYS A 68 5.523 0.244 -15.231 1.00 52.12 O ATOM 1098 CB LYS A 68 4.947 3.247 -15.074 1.00 72.34 C ATOM 1099 CG LYS A 68 3.555 3.566 -15.625 1.00 60.01 C ATOM 1100 CD LYS A 68 3.675 4.590 -16.756 1.00 21.14 C ATOM 1101 CE LYS A 68 2.280 4.957 -17.262 1.00 14.22 C ATOM 1102 NZ LYS A 68 1.552 3.717 -17.654 1.00 41.20 N ATOM 0 H LYS A 68 6.824 2.705 -13.540 1.00 42.54 H new ATOM 0 HA LYS A 68 3.985 2.397 -13.336 1.00 11.20 H new ATOM 0 HB2 LYS A 68 5.404 4.150 -14.669 1.00 72.34 H new ATOM 0 HB3 LYS A 68 5.595 2.895 -15.877 1.00 72.34 H new ATOM 0 HG2 LYS A 68 3.081 2.656 -15.993 1.00 60.01 H new ATOM 0 HG3 LYS A 68 2.919 3.958 -14.831 1.00 60.01 H new ATOM 0 HD2 LYS A 68 4.191 5.482 -16.400 1.00 21.14 H new ATOM 0 HD3 LYS A 68 4.273 4.180 -17.570 1.00 21.14 H new ATOM 0 HE2 LYS A 68 1.727 5.486 -16.486 1.00 14.22 H new ATOM 0 HE3 LYS A 68 2.357 5.632 -18.115 1.00 14.22 H new ATOM 0 HZ1 LYS A 68 0.770 3.961 -18.295 1.00 41.20 H new ATOM 0 HZ2 LYS A 68 2.206 3.069 -18.137 1.00 41.20 H new ATOM 0 HZ3 LYS A 68 1.171 3.255 -16.804 1.00 41.20 H new ATOM 1116 N THR A 69 3.389 0.309 -14.506 1.00 33.34 N ATOM 1117 CA THR A 69 3.027 -0.984 -15.085 1.00 0.52 C ATOM 1118 C THR A 69 1.737 -0.855 -15.886 1.00 24.32 C ATOM 1119 O THR A 69 1.095 0.196 -15.880 1.00 12.35 O ATOM 1120 CB THR A 69 2.837 -2.020 -13.976 1.00 72.31 C ATOM 1121 OG1 THR A 69 2.394 -3.244 -14.545 1.00 33.32 O ATOM 1122 CG2 THR A 69 1.796 -1.514 -12.976 1.00 43.53 C ATOM 0 H THR A 69 2.629 0.774 -14.009 1.00 33.34 H new ATOM 0 HA THR A 69 3.830 -1.308 -15.747 1.00 0.52 H new ATOM 0 HB THR A 69 3.784 -2.180 -13.461 1.00 72.31 H new ATOM 0 HG1 THR A 69 2.273 -3.910 -13.836 1.00 33.32 H new ATOM 0 HG21 THR A 69 1.661 -2.253 -12.186 1.00 43.53 H new ATOM 0 HG22 THR A 69 2.137 -0.575 -12.540 1.00 43.53 H new ATOM 0 HG23 THR A 69 0.847 -1.353 -13.488 1.00 43.53 H new ATOM 1130 N SER A 70 1.358 -1.929 -16.571 1.00 73.34 N ATOM 1131 CA SER A 70 0.135 -1.927 -17.371 1.00 21.14 C ATOM 1132 C SER A 70 -0.993 -2.613 -16.616 1.00 62.34 C ATOM 1133 O SER A 70 -2.089 -2.795 -17.147 1.00 33.02 O ATOM 1134 CB SER A 70 0.377 -2.645 -18.699 1.00 1.13 C ATOM 1135 OG SER A 70 -0.803 -2.582 -19.488 1.00 23.12 O ATOM 0 H SER A 70 1.875 -2.808 -16.590 1.00 73.34 H new ATOM 0 HA SER A 70 -0.149 -0.893 -17.568 1.00 21.14 H new ATOM 0 HB2 SER A 70 1.209 -2.182 -19.230 1.00 1.13 H new ATOM 0 HB3 SER A 70 0.653 -3.684 -18.519 1.00 1.13 H new ATOM 0 HG SER A 70 -1.586 -2.526 -18.901 1.00 23.12 H new ATOM 1141 N ASP A 71 -0.696 -3.003 -15.379 1.00 22.24 N ATOM 1142 CA ASP A 71 -1.656 -3.695 -14.511 1.00 64.20 C ATOM 1143 C ASP A 71 -3.103 -3.498 -14.956 1.00 33.31 C ATOM 1144 O ASP A 71 -3.855 -4.466 -15.066 1.00 53.13 O ATOM 1145 CB ASP A 71 -1.501 -3.204 -13.072 1.00 73.54 C ATOM 1146 CG ASP A 71 -2.234 -4.144 -12.120 1.00 60.01 C ATOM 1147 OD1 ASP A 71 -3.454 -4.122 -12.121 1.00 12.33 O ATOM 1148 OD2 ASP A 71 -1.566 -4.874 -11.408 1.00 13.14 O ATOM 0 H ASP A 71 0.215 -2.850 -14.947 1.00 22.24 H new ATOM 0 HA ASP A 71 -1.434 -4.760 -14.579 1.00 64.20 H new ATOM 0 HB2 ASP A 71 -0.445 -3.155 -12.807 1.00 73.54 H new ATOM 0 HB3 ASP A 71 -1.900 -2.194 -12.978 1.00 73.54 H new ATOM 1153 N ASP A 72 -3.497 -2.251 -15.214 1.00 44.42 N ATOM 1154 CA ASP A 72 -4.863 -1.972 -15.643 1.00 32.43 C ATOM 1155 C ASP A 72 -4.958 -0.570 -16.239 1.00 74.41 C ATOM 1156 O ASP A 72 -5.623 0.306 -15.685 1.00 20.14 O ATOM 1157 CB ASP A 72 -5.824 -2.086 -14.453 1.00 3.42 C ATOM 1158 CG ASP A 72 -6.095 -3.552 -14.131 1.00 4.12 C ATOM 1159 OD1 ASP A 72 -6.218 -4.330 -15.063 1.00 4.42 O ATOM 1160 OD2 ASP A 72 -6.176 -3.875 -12.958 1.00 4.41 O ATOM 0 H ASP A 72 -2.897 -1.430 -15.134 1.00 44.42 H new ATOM 0 HA ASP A 72 -5.140 -2.702 -16.403 1.00 32.43 H new ATOM 0 HB2 ASP A 72 -5.397 -1.588 -13.583 1.00 3.42 H new ATOM 0 HB3 ASP A 72 -6.760 -1.578 -14.683 1.00 3.42 H new ATOM 1165 N GLY A 73 -4.295 -0.365 -17.372 1.00 74.51 N ATOM 1166 CA GLY A 73 -4.314 0.936 -18.041 1.00 13.45 C ATOM 1167 C GLY A 73 -3.143 1.806 -17.594 1.00 4.30 C ATOM 1168 O GLY A 73 -2.026 1.662 -18.093 1.00 13.04 O ATOM 0 H GLY A 73 -3.740 -1.077 -17.846 1.00 74.51 H new ATOM 0 HA2 GLY A 73 -4.272 0.793 -19.121 1.00 13.45 H new ATOM 0 HA3 GLY A 73 -5.253 1.446 -17.823 1.00 13.45 H new ATOM 1172 N GLU A 74 -3.400 2.697 -16.637 1.00 34.54 N ATOM 1173 CA GLU A 74 -2.358 3.578 -16.104 1.00 24.41 C ATOM 1174 C GLU A 74 -2.231 3.378 -14.598 1.00 21.41 C ATOM 1175 O GLU A 74 -2.928 4.029 -13.820 1.00 30.23 O ATOM 1176 CB GLU A 74 -2.710 5.036 -16.398 1.00 14.11 C ATOM 1177 CG GLU A 74 -2.728 5.262 -17.911 1.00 32.41 C ATOM 1178 CD GLU A 74 -3.051 6.721 -18.217 1.00 32.24 C ATOM 1179 OE1 GLU A 74 -3.405 7.435 -17.294 1.00 13.01 O ATOM 1180 OE2 GLU A 74 -2.938 7.102 -19.371 1.00 33.22 O ATOM 0 H GLU A 74 -4.319 2.829 -16.215 1.00 34.54 H new ATOM 0 HA GLU A 74 -1.409 3.333 -16.581 1.00 24.41 H new ATOM 0 HB2 GLU A 74 -3.683 5.279 -15.972 1.00 14.11 H new ATOM 0 HB3 GLU A 74 -1.982 5.698 -15.929 1.00 14.11 H new ATOM 0 HG2 GLU A 74 -1.760 4.998 -18.338 1.00 32.41 H new ATOM 0 HG3 GLU A 74 -3.469 4.612 -18.375 1.00 32.41 H new ATOM 1187 N VAL A 75 -1.354 2.465 -14.186 1.00 54.24 N ATOM 1188 CA VAL A 75 -1.166 2.179 -12.764 1.00 74.13 C ATOM 1189 C VAL A 75 0.309 2.057 -12.407 1.00 54.35 C ATOM 1190 O VAL A 75 1.128 1.658 -13.234 1.00 22.34 O ATOM 1191 CB VAL A 75 -1.884 0.889 -12.375 1.00 62.25 C ATOM 1192 CG1 VAL A 75 -1.757 0.678 -10.858 1.00 64.10 C ATOM 1193 CG2 VAL A 75 -3.364 0.985 -12.776 1.00 23.10 C ATOM 0 H VAL A 75 -0.766 1.914 -14.811 1.00 54.24 H new ATOM 0 HA VAL A 75 -1.591 3.016 -12.210 1.00 74.13 H new ATOM 0 HB VAL A 75 -1.433 0.043 -12.893 1.00 62.25 H new ATOM 0 HG11 VAL A 75 -2.268 -0.242 -10.575 1.00 64.10 H new ATOM 0 HG12 VAL A 75 -0.704 0.606 -10.588 1.00 64.10 H new ATOM 0 HG13 VAL A 75 -2.209 1.520 -10.334 1.00 64.10 H new ATOM 0 HG21 VAL A 75 -3.877 0.064 -12.498 1.00 23.10 H new ATOM 0 HG22 VAL A 75 -3.827 1.827 -12.261 1.00 23.10 H new ATOM 0 HG23 VAL A 75 -3.440 1.132 -13.853 1.00 23.10 H new ATOM 1203 N TYR A 76 0.636 2.395 -11.162 1.00 20.31 N ATOM 1204 CA TYR A 76 2.015 2.315 -10.680 1.00 54.31 C ATOM 1205 C TYR A 76 2.106 1.247 -9.589 1.00 3.43 C ATOM 1206 O TYR A 76 1.119 0.963 -8.914 1.00 71.11 O ATOM 1207 CB TYR A 76 2.439 3.683 -10.152 1.00 25.33 C ATOM 1208 CG TYR A 76 2.028 4.722 -11.168 1.00 1.12 C ATOM 1209 CD1 TYR A 76 2.871 5.021 -12.245 1.00 73.11 C ATOM 1210 CD2 TYR A 76 0.794 5.372 -11.046 1.00 11.12 C ATOM 1211 CE1 TYR A 76 2.482 5.970 -13.198 1.00 11.35 C ATOM 1212 CE2 TYR A 76 0.406 6.324 -11.998 1.00 72.52 C ATOM 1213 CZ TYR A 76 1.250 6.622 -13.074 1.00 4.34 C ATOM 1214 OH TYR A 76 0.866 7.557 -14.014 1.00 23.33 O ATOM 0 H TYR A 76 -0.034 2.727 -10.468 1.00 20.31 H new ATOM 0 HA TYR A 76 2.687 2.034 -11.491 1.00 54.31 H new ATOM 0 HB2 TYR A 76 1.968 3.883 -9.190 1.00 25.33 H new ATOM 0 HB3 TYR A 76 3.517 3.712 -9.991 1.00 25.33 H new ATOM 0 HD1 TYR A 76 3.822 4.519 -12.341 1.00 73.11 H new ATOM 0 HD2 TYR A 76 0.141 5.140 -10.218 1.00 11.12 H new ATOM 0 HE1 TYR A 76 3.133 6.199 -14.029 1.00 11.35 H new ATOM 0 HE2 TYR A 76 -0.544 6.828 -11.902 1.00 72.52 H new ATOM 0 HH TYR A 76 -0.016 7.913 -13.779 1.00 23.33 H new ATOM 1224 N TYR A 77 3.289 0.649 -9.424 1.00 13.23 N ATOM 1225 CA TYR A 77 3.455 -0.398 -8.409 1.00 64.31 C ATOM 1226 C TYR A 77 4.899 -0.536 -7.930 1.00 23.13 C ATOM 1227 O TYR A 77 5.837 -0.461 -8.724 1.00 24.02 O ATOM 1228 CB TYR A 77 2.961 -1.742 -8.973 1.00 54.32 C ATOM 1229 CG TYR A 77 4.089 -2.467 -9.676 1.00 1.44 C ATOM 1230 CD1 TYR A 77 4.536 -2.020 -10.924 1.00 24.12 C ATOM 1231 CD2 TYR A 77 4.689 -3.582 -9.076 1.00 72.44 C ATOM 1232 CE1 TYR A 77 5.580 -2.688 -11.575 1.00 15.25 C ATOM 1233 CE2 TYR A 77 5.733 -4.250 -9.726 1.00 14.12 C ATOM 1234 CZ TYR A 77 6.179 -3.804 -10.975 1.00 23.33 C ATOM 1235 OH TYR A 77 7.209 -4.462 -11.617 1.00 34.21 O ATOM 0 H TYR A 77 4.127 0.863 -9.964 1.00 13.23 H new ATOM 0 HA TYR A 77 2.860 -0.107 -7.543 1.00 64.31 H new ATOM 0 HB2 TYR A 77 2.570 -2.361 -8.165 1.00 54.32 H new ATOM 0 HB3 TYR A 77 2.140 -1.571 -9.670 1.00 54.32 H new ATOM 0 HD1 TYR A 77 4.075 -1.159 -11.386 1.00 24.12 H new ATOM 0 HD2 TYR A 77 4.346 -3.926 -8.112 1.00 72.44 H new ATOM 0 HE1 TYR A 77 5.924 -2.343 -12.539 1.00 15.25 H new ATOM 0 HE2 TYR A 77 6.194 -5.110 -9.263 1.00 14.12 H new ATOM 0 HH TYR A 77 7.512 -5.212 -11.065 1.00 34.21 H new ATOM 1245 N SER A 78 5.065 -0.777 -6.628 1.00 34.12 N ATOM 1246 CA SER A 78 6.391 -0.970 -6.048 1.00 44.32 C ATOM 1247 C SER A 78 6.629 -2.461 -5.810 1.00 31.35 C ATOM 1248 O SER A 78 6.098 -3.044 -4.864 1.00 51.51 O ATOM 1249 CB SER A 78 6.488 -0.219 -4.721 1.00 72.53 C ATOM 1250 OG SER A 78 5.457 -0.670 -3.854 1.00 63.21 O ATOM 0 H SER A 78 4.298 -0.843 -5.958 1.00 34.12 H new ATOM 0 HA SER A 78 7.145 -0.585 -6.734 1.00 44.32 H new ATOM 0 HB2 SER A 78 7.463 -0.387 -4.264 1.00 72.53 H new ATOM 0 HB3 SER A 78 6.395 0.854 -4.889 1.00 72.53 H new ATOM 0 HG SER A 78 5.360 -1.642 -3.939 1.00 63.21 H new ATOM 1256 N GLU A 79 7.414 -3.073 -6.689 1.00 62.43 N ATOM 1257 CA GLU A 79 7.702 -4.501 -6.589 1.00 61.20 C ATOM 1258 C GLU A 79 8.285 -4.862 -5.223 1.00 63.04 C ATOM 1259 O GLU A 79 7.969 -5.914 -4.665 1.00 34.22 O ATOM 1260 CB GLU A 79 8.691 -4.906 -7.688 1.00 63.42 C ATOM 1261 CG GLU A 79 8.729 -6.433 -7.823 1.00 51.11 C ATOM 1262 CD GLU A 79 9.464 -7.047 -6.637 1.00 61.44 C ATOM 1263 OE1 GLU A 79 10.286 -6.360 -6.053 1.00 33.42 O ATOM 1264 OE2 GLU A 79 9.195 -8.197 -6.329 1.00 14.04 O ATOM 0 H GLU A 79 7.862 -2.605 -7.477 1.00 62.43 H new ATOM 0 HA GLU A 79 6.763 -5.041 -6.712 1.00 61.20 H new ATOM 0 HB2 GLU A 79 8.398 -4.456 -8.636 1.00 63.42 H new ATOM 0 HB3 GLU A 79 9.686 -4.529 -7.450 1.00 63.42 H new ATOM 0 HG2 GLU A 79 7.714 -6.826 -7.875 1.00 51.11 H new ATOM 0 HG3 GLU A 79 9.226 -6.711 -8.752 1.00 51.11 H new ATOM 1271 N GLU A 80 9.152 -4.004 -4.703 1.00 52.34 N ATOM 1272 CA GLU A 80 9.795 -4.261 -3.415 1.00 52.25 C ATOM 1273 C GLU A 80 8.804 -4.203 -2.250 1.00 12.04 C ATOM 1274 O GLU A 80 8.927 -4.966 -1.291 1.00 24.00 O ATOM 1275 CB GLU A 80 10.908 -3.238 -3.186 1.00 55.45 C ATOM 1276 CG GLU A 80 10.300 -1.840 -3.052 1.00 30.33 C ATOM 1277 CD GLU A 80 11.404 -0.789 -3.048 1.00 21.44 C ATOM 1278 OE1 GLU A 80 12.562 -1.174 -3.061 1.00 63.24 O ATOM 1279 OE2 GLU A 80 11.076 0.386 -3.033 1.00 35.03 O ATOM 0 H GLU A 80 9.427 -3.128 -5.147 1.00 52.34 H new ATOM 0 HA GLU A 80 10.206 -5.270 -3.449 1.00 52.25 H new ATOM 0 HB2 GLU A 80 11.468 -3.490 -2.285 1.00 55.45 H new ATOM 0 HB3 GLU A 80 11.613 -3.261 -4.017 1.00 55.45 H new ATOM 0 HG2 GLU A 80 9.612 -1.653 -3.876 1.00 30.33 H new ATOM 0 HG3 GLU A 80 9.720 -1.773 -2.132 1.00 30.33 H new ATOM 1286 N ALA A 81 7.842 -3.285 -2.318 1.00 65.34 N ATOM 1287 CA ALA A 81 6.862 -3.132 -1.237 1.00 42.10 C ATOM 1288 C ALA A 81 5.512 -3.753 -1.595 1.00 0.31 C ATOM 1289 O ALA A 81 4.534 -3.565 -0.872 1.00 12.34 O ATOM 1290 CB ALA A 81 6.671 -1.646 -0.922 1.00 60.53 C ATOM 0 H ALA A 81 7.718 -2.641 -3.099 1.00 65.34 H new ATOM 0 HA ALA A 81 7.250 -3.657 -0.364 1.00 42.10 H new ATOM 0 HB1 ALA A 81 5.943 -1.535 -0.119 1.00 60.53 H new ATOM 0 HB2 ALA A 81 7.623 -1.215 -0.611 1.00 60.53 H new ATOM 0 HB3 ALA A 81 6.312 -1.129 -1.812 1.00 60.53 H new ATOM 1296 N LYS A 82 5.461 -4.495 -2.700 1.00 21.31 N ATOM 1297 CA LYS A 82 4.213 -5.137 -3.126 1.00 52.21 C ATOM 1298 C LYS A 82 3.020 -4.226 -2.834 1.00 44.35 C ATOM 1299 O LYS A 82 2.126 -4.577 -2.056 1.00 2.02 O ATOM 1300 CB LYS A 82 4.027 -6.472 -2.394 1.00 74.04 C ATOM 1301 CG LYS A 82 5.036 -7.510 -2.913 1.00 42.22 C ATOM 1302 CD LYS A 82 6.405 -7.295 -2.255 1.00 33.13 C ATOM 1303 CE LYS A 82 7.307 -8.493 -2.556 1.00 64.01 C ATOM 1304 NZ LYS A 82 6.716 -9.723 -1.957 1.00 52.33 N ATOM 0 H LYS A 82 6.258 -4.667 -3.312 1.00 21.31 H new ATOM 0 HA LYS A 82 4.270 -5.320 -4.199 1.00 52.21 H new ATOM 0 HB2 LYS A 82 4.161 -6.329 -1.322 1.00 74.04 H new ATOM 0 HB3 LYS A 82 3.011 -6.837 -2.542 1.00 74.04 H new ATOM 0 HG2 LYS A 82 4.676 -8.516 -2.699 1.00 42.22 H new ATOM 0 HG3 LYS A 82 5.128 -7.428 -3.996 1.00 42.22 H new ATOM 0 HD2 LYS A 82 6.861 -6.379 -2.630 1.00 33.13 H new ATOM 0 HD3 LYS A 82 6.288 -7.175 -1.178 1.00 33.13 H new ATOM 0 HE2 LYS A 82 7.417 -8.617 -3.633 1.00 64.01 H new ATOM 0 HE3 LYS A 82 8.304 -8.322 -2.151 1.00 64.01 H new ATOM 0 HZ1 LYS A 82 7.471 -10.412 -1.763 1.00 52.33 H new ATOM 0 HZ2 LYS A 82 6.233 -9.479 -1.069 1.00 52.33 H new ATOM 0 HZ3 LYS A 82 6.031 -10.138 -2.621 1.00 52.33 H new ATOM 1318 N LYS A 83 3.020 -3.060 -3.474 1.00 4.20 N ATOM 1319 CA LYS A 83 1.947 -2.082 -3.294 1.00 70.41 C ATOM 1320 C LYS A 83 1.639 -1.376 -4.609 1.00 2.53 C ATOM 1321 O LYS A 83 2.544 -0.935 -5.317 1.00 64.44 O ATOM 1322 CB LYS A 83 2.358 -1.051 -2.241 1.00 33.14 C ATOM 1323 CG LYS A 83 1.266 0.014 -2.116 1.00 34.14 C ATOM 1324 CD LYS A 83 1.495 0.841 -0.847 1.00 35.04 C ATOM 1325 CE LYS A 83 0.727 2.161 -0.952 1.00 11.14 C ATOM 1326 NZ LYS A 83 0.763 2.862 0.362 1.00 33.21 N ATOM 0 H LYS A 83 3.751 -2.768 -4.123 1.00 4.20 H new ATOM 0 HA LYS A 83 1.052 -2.607 -2.961 1.00 70.41 H new ATOM 0 HB2 LYS A 83 2.515 -1.540 -1.280 1.00 33.14 H new ATOM 0 HB3 LYS A 83 3.304 -0.587 -2.521 1.00 33.14 H new ATOM 0 HG2 LYS A 83 1.276 0.663 -2.992 1.00 34.14 H new ATOM 0 HG3 LYS A 83 0.285 -0.460 -2.081 1.00 34.14 H new ATOM 0 HD2 LYS A 83 1.162 0.283 0.028 1.00 35.04 H new ATOM 0 HD3 LYS A 83 2.559 1.037 -0.715 1.00 35.04 H new ATOM 0 HE2 LYS A 83 1.169 2.791 -1.724 1.00 11.14 H new ATOM 0 HE3 LYS A 83 -0.305 1.971 -1.247 1.00 11.14 H new ATOM 0 HZ1 LYS A 83 -0.129 3.377 0.505 1.00 33.21 H new ATOM 0 HZ2 LYS A 83 0.887 2.165 1.124 1.00 33.21 H new ATOM 0 HZ3 LYS A 83 1.557 3.534 0.375 1.00 33.21 H new ATOM 1340 N LYS A 84 0.354 -1.310 -4.947 1.00 61.33 N ATOM 1341 CA LYS A 84 -0.081 -0.693 -6.201 1.00 15.13 C ATOM 1342 C LYS A 84 -1.088 0.422 -5.967 1.00 33.04 C ATOM 1343 O LYS A 84 -2.052 0.251 -5.221 1.00 5.31 O ATOM 1344 CB LYS A 84 -0.711 -1.776 -7.081 1.00 63.23 C ATOM 1345 CG LYS A 84 -0.913 -1.249 -8.498 1.00 1.24 C ATOM 1346 CD LYS A 84 -1.669 -2.293 -9.334 1.00 22.24 C ATOM 1347 CE LYS A 84 -3.159 -2.292 -8.968 1.00 73.10 C ATOM 1348 NZ LYS A 84 -3.939 -2.910 -10.078 1.00 24.43 N ATOM 0 H LYS A 84 -0.405 -1.675 -4.372 1.00 61.33 H new ATOM 0 HA LYS A 84 0.788 -0.250 -6.689 1.00 15.13 H new ATOM 0 HB2 LYS A 84 -0.070 -2.658 -7.101 1.00 63.23 H new ATOM 0 HB3 LYS A 84 -1.668 -2.086 -6.660 1.00 63.23 H new ATOM 0 HG2 LYS A 84 -1.473 -0.314 -8.473 1.00 1.24 H new ATOM 0 HG3 LYS A 84 0.051 -1.031 -8.956 1.00 1.24 H new ATOM 0 HD2 LYS A 84 -1.548 -2.076 -10.395 1.00 22.24 H new ATOM 0 HD3 LYS A 84 -1.246 -3.283 -9.161 1.00 22.24 H new ATOM 0 HE2 LYS A 84 -3.319 -2.847 -8.043 1.00 73.10 H new ATOM 0 HE3 LYS A 84 -3.501 -1.272 -8.791 1.00 73.10 H new ATOM 0 HZ1 LYS A 84 -4.954 -2.865 -9.856 1.00 24.43 H new ATOM 0 HZ2 LYS A 84 -3.755 -2.393 -10.962 1.00 24.43 H new ATOM 0 HZ3 LYS A 84 -3.653 -3.903 -10.192 1.00 24.43 H new ATOM 1362 N VAL A 85 -0.876 1.559 -6.642 1.00 54.21 N ATOM 1363 CA VAL A 85 -1.800 2.684 -6.525 1.00 33.14 C ATOM 1364 C VAL A 85 -2.148 3.220 -7.914 1.00 25.24 C ATOM 1365 O VAL A 85 -1.270 3.496 -8.731 1.00 41.14 O ATOM 1366 CB VAL A 85 -1.199 3.775 -5.599 1.00 5.13 C ATOM 1367 CG1 VAL A 85 -0.267 3.107 -4.588 1.00 50.04 C ATOM 1368 CG2 VAL A 85 -0.404 4.868 -6.365 1.00 32.55 C ATOM 0 H VAL A 85 -0.084 1.719 -7.265 1.00 54.21 H new ATOM 0 HA VAL A 85 -2.730 2.351 -6.065 1.00 33.14 H new ATOM 0 HB VAL A 85 -2.037 4.273 -5.110 1.00 5.13 H new ATOM 0 HG11 VAL A 85 0.161 3.865 -3.932 1.00 50.04 H new ATOM 0 HG12 VAL A 85 -0.831 2.388 -3.993 1.00 50.04 H new ATOM 0 HG13 VAL A 85 0.534 2.591 -5.117 1.00 50.04 H new ATOM 0 HG21 VAL A 85 -0.013 5.597 -5.656 1.00 32.55 H new ATOM 0 HG22 VAL A 85 0.423 4.406 -6.904 1.00 32.55 H new ATOM 0 HG23 VAL A 85 -1.064 5.369 -7.073 1.00 32.55 H new ATOM 1378 N GLU A 86 -3.456 3.308 -8.182 1.00 74.44 N ATOM 1379 CA GLU A 86 -3.952 3.751 -9.489 1.00 64.25 C ATOM 1380 C GLU A 86 -4.878 4.949 -9.362 1.00 40.21 C ATOM 1381 O GLU A 86 -5.756 4.982 -8.500 1.00 1.22 O ATOM 1382 CB GLU A 86 -4.729 2.613 -10.155 1.00 73.23 C ATOM 1383 CG GLU A 86 -5.861 2.157 -9.232 1.00 21.42 C ATOM 1384 CD GLU A 86 -6.466 0.857 -9.751 1.00 24.03 C ATOM 1385 OE1 GLU A 86 -6.044 0.410 -10.805 1.00 42.40 O ATOM 1386 OE2 GLU A 86 -7.342 0.328 -9.088 1.00 20.02 O ATOM 0 H GLU A 86 -4.189 3.078 -7.511 1.00 74.44 H new ATOM 0 HA GLU A 86 -3.087 4.037 -10.088 1.00 64.25 H new ATOM 0 HB2 GLU A 86 -5.136 2.947 -11.109 1.00 73.23 H new ATOM 0 HB3 GLU A 86 -4.061 1.778 -10.368 1.00 73.23 H new ATOM 0 HG2 GLU A 86 -5.481 2.012 -8.221 1.00 21.42 H new ATOM 0 HG3 GLU A 86 -6.629 2.928 -9.176 1.00 21.42 H new ATOM 1393 N VAL A 87 -4.678 5.928 -10.233 1.00 1.04 N ATOM 1394 CA VAL A 87 -5.507 7.124 -10.206 1.00 71.31 C ATOM 1395 C VAL A 87 -6.981 6.770 -10.418 1.00 43.10 C ATOM 1396 O VAL A 87 -7.450 6.643 -11.550 1.00 5.40 O ATOM 1397 CB VAL A 87 -5.032 8.100 -11.296 1.00 4.05 C ATOM 1398 CG1 VAL A 87 -4.673 7.316 -12.561 1.00 21.34 C ATOM 1399 CG2 VAL A 87 -6.135 9.126 -11.618 1.00 45.42 C ATOM 0 H VAL A 87 -3.960 5.919 -10.957 1.00 1.04 H new ATOM 0 HA VAL A 87 -5.411 7.597 -9.228 1.00 71.31 H new ATOM 0 HB VAL A 87 -4.154 8.634 -10.933 1.00 4.05 H new ATOM 0 HG11 VAL A 87 -4.336 8.007 -13.334 1.00 21.34 H new ATOM 0 HG12 VAL A 87 -3.876 6.607 -12.336 1.00 21.34 H new ATOM 0 HG13 VAL A 87 -5.551 6.775 -12.915 1.00 21.34 H new ATOM 0 HG21 VAL A 87 -5.782 9.809 -12.391 1.00 45.42 H new ATOM 0 HG22 VAL A 87 -7.024 8.605 -11.972 1.00 45.42 H new ATOM 0 HG23 VAL A 87 -6.380 9.691 -10.719 1.00 45.42 H new ATOM 1409 N LEU A 88 -7.705 6.636 -9.312 1.00 5.13 N ATOM 1410 CA LEU A 88 -9.133 6.323 -9.356 1.00 14.04 C ATOM 1411 C LEU A 88 -9.906 7.636 -9.432 1.00 60.34 C ATOM 1412 O LEU A 88 -11.063 7.688 -9.848 1.00 4.54 O ATOM 1413 CB LEU A 88 -9.526 5.533 -8.092 1.00 42.12 C ATOM 1414 CG LEU A 88 -10.628 4.503 -8.402 1.00 42.32 C ATOM 1415 CD1 LEU A 88 -11.841 5.210 -9.013 1.00 72.52 C ATOM 1416 CD2 LEU A 88 -10.104 3.429 -9.375 1.00 14.00 C ATOM 0 H LEU A 88 -7.327 6.739 -8.370 1.00 5.13 H new ATOM 0 HA LEU A 88 -9.367 5.711 -10.227 1.00 14.04 H new ATOM 0 HB2 LEU A 88 -8.650 5.023 -7.691 1.00 42.12 H new ATOM 0 HB3 LEU A 88 -9.874 6.222 -7.322 1.00 42.12 H new ATOM 0 HG LEU A 88 -10.923 4.017 -7.472 1.00 42.32 H new ATOM 0 HD11 LEU A 88 -12.618 4.477 -9.231 1.00 72.52 H new ATOM 0 HD12 LEU A 88 -12.225 5.948 -8.309 1.00 72.52 H new ATOM 0 HD13 LEU A 88 -11.545 5.709 -9.936 1.00 72.52 H new ATOM 0 HD21 LEU A 88 -10.896 2.709 -9.583 1.00 14.00 H new ATOM 0 HD22 LEU A 88 -9.790 3.903 -10.305 1.00 14.00 H new ATOM 0 HD23 LEU A 88 -9.255 2.914 -8.926 1.00 14.00 H new ATOM 1428 N ASP A 89 -9.218 8.692 -9.036 1.00 63.45 N ATOM 1429 CA ASP A 89 -9.752 10.044 -9.042 1.00 52.10 C ATOM 1430 C ASP A 89 -8.639 10.955 -8.541 1.00 22.01 C ATOM 1431 O ASP A 89 -8.127 10.757 -7.439 1.00 32.14 O ATOM 1432 CB ASP A 89 -10.990 10.151 -8.134 1.00 0.24 C ATOM 1433 CG ASP A 89 -12.063 11.018 -8.792 1.00 3.14 C ATOM 1434 OD1 ASP A 89 -11.708 12.045 -9.346 1.00 22.13 O ATOM 1435 OD2 ASP A 89 -13.222 10.640 -8.730 1.00 3.45 O ATOM 0 H ASP A 89 -8.258 8.634 -8.696 1.00 63.45 H new ATOM 0 HA ASP A 89 -10.071 10.329 -10.045 1.00 52.10 H new ATOM 0 HB2 ASP A 89 -11.389 9.157 -7.935 1.00 0.24 H new ATOM 0 HB3 ASP A 89 -10.707 10.579 -7.172 1.00 0.24 H new ATOM 1440 N THR A 90 -8.236 11.926 -9.346 1.00 61.52 N ATOM 1441 CA THR A 90 -7.149 12.809 -8.942 1.00 2.42 C ATOM 1442 C THR A 90 -7.347 14.218 -9.499 1.00 13.23 C ATOM 1443 O THR A 90 -7.413 14.424 -10.710 1.00 1.21 O ATOM 1444 CB THR A 90 -5.810 12.186 -9.407 1.00 74.32 C ATOM 1445 OG1 THR A 90 -4.764 12.470 -8.478 1.00 32.24 O ATOM 1446 CG2 THR A 90 -5.417 12.711 -10.792 1.00 23.33 C ATOM 0 H THR A 90 -8.634 12.122 -10.264 1.00 61.52 H new ATOM 0 HA THR A 90 -7.137 12.908 -7.857 1.00 2.42 H new ATOM 0 HB THR A 90 -5.952 11.107 -9.461 1.00 74.32 H new ATOM 0 HG1 THR A 90 -3.933 12.650 -8.966 1.00 32.24 H new ATOM 0 HG21 THR A 90 -4.473 12.260 -11.098 1.00 23.33 H new ATOM 0 HG22 THR A 90 -6.193 12.453 -11.513 1.00 23.33 H new ATOM 0 HG23 THR A 90 -5.305 13.794 -10.752 1.00 23.33 H new ATOM 1454 N ASP A 91 -7.421 15.185 -8.593 1.00 74.13 N ATOM 1455 CA ASP A 91 -7.585 16.578 -8.986 1.00 21.22 C ATOM 1456 C ASP A 91 -6.226 17.141 -9.358 1.00 33.12 C ATOM 1457 O ASP A 91 -6.108 18.023 -10.208 1.00 15.43 O ATOM 1458 CB ASP A 91 -8.173 17.387 -7.835 1.00 40.13 C ATOM 1459 CG ASP A 91 -8.602 18.764 -8.330 1.00 21.25 C ATOM 1460 OD1 ASP A 91 -8.201 19.130 -9.423 1.00 24.44 O ATOM 1461 OD2 ASP A 91 -9.323 19.433 -7.609 1.00 51.45 O ATOM 0 H ASP A 91 -7.370 15.031 -7.586 1.00 74.13 H new ATOM 0 HA ASP A 91 -8.264 16.638 -9.836 1.00 21.22 H new ATOM 0 HB2 ASP A 91 -9.028 16.862 -7.410 1.00 40.13 H new ATOM 0 HB3 ASP A 91 -7.436 17.491 -7.039 1.00 40.13 H new ATOM 1466 N TYR A 92 -5.200 16.599 -8.714 1.00 32.54 N ATOM 1467 CA TYR A 92 -3.829 17.013 -8.967 1.00 12.11 C ATOM 1468 C TYR A 92 -3.623 18.486 -8.625 1.00 0.24 C ATOM 1469 O TYR A 92 -2.636 19.083 -9.054 1.00 12.25 O ATOM 1470 CB TYR A 92 -3.481 16.763 -10.454 1.00 43.41 C ATOM 1471 CG TYR A 92 -2.437 15.672 -10.583 1.00 55.33 C ATOM 1472 CD1 TYR A 92 -2.590 14.466 -9.885 1.00 31.44 C ATOM 1473 CD2 TYR A 92 -1.318 15.867 -11.403 1.00 71.13 C ATOM 1474 CE1 TYR A 92 -1.625 13.461 -10.006 1.00 43.34 C ATOM 1475 CE2 TYR A 92 -0.354 14.860 -11.523 1.00 15.14 C ATOM 1476 CZ TYR A 92 -0.508 13.657 -10.825 1.00 41.01 C ATOM 1477 OH TYR A 92 0.442 12.666 -10.940 1.00 3.13 O ATOM 0 H TYR A 92 -5.294 15.868 -8.009 1.00 32.54 H new ATOM 0 HA TYR A 92 -3.169 16.425 -8.329 1.00 12.11 H new ATOM 0 HB2 TYR A 92 -4.380 16.479 -11.001 1.00 43.41 H new ATOM 0 HB3 TYR A 92 -3.111 17.683 -10.906 1.00 43.41 H new ATOM 0 HD1 TYR A 92 -3.453 14.313 -9.254 1.00 31.44 H new ATOM 0 HD2 TYR A 92 -1.199 16.795 -11.943 1.00 71.13 H new ATOM 0 HE1 TYR A 92 -1.742 12.533 -9.467 1.00 43.34 H new ATOM 0 HE2 TYR A 92 0.509 15.011 -12.154 1.00 15.14 H new ATOM 0 HH TYR A 92 0.521 12.396 -11.879 1.00 3.13 H new ATOM 1487 N LYS A 93 -4.540 19.088 -7.863 1.00 72.45 N ATOM 1488 CA LYS A 93 -4.397 20.495 -7.511 1.00 2.32 C ATOM 1489 C LYS A 93 -5.125 20.810 -6.203 1.00 43.41 C ATOM 1490 O LYS A 93 -4.816 21.800 -5.540 1.00 54.34 O ATOM 1491 CB LYS A 93 -4.982 21.365 -8.624 1.00 54.15 C ATOM 1492 CG LYS A 93 -4.099 21.280 -9.873 1.00 14.21 C ATOM 1493 CD LYS A 93 -4.475 22.404 -10.844 1.00 4.50 C ATOM 1494 CE LYS A 93 -5.923 22.222 -11.314 1.00 33.33 C ATOM 1495 NZ LYS A 93 -6.852 22.750 -10.275 1.00 22.14 N ATOM 0 H LYS A 93 -5.371 18.631 -7.487 1.00 72.45 H new ATOM 0 HA LYS A 93 -3.335 20.706 -7.384 1.00 2.32 H new ATOM 0 HB2 LYS A 93 -5.994 21.036 -8.861 1.00 54.15 H new ATOM 0 HB3 LYS A 93 -5.054 22.400 -8.289 1.00 54.15 H new ATOM 0 HG2 LYS A 93 -3.048 21.362 -9.595 1.00 14.21 H new ATOM 0 HG3 LYS A 93 -4.226 20.311 -10.356 1.00 14.21 H new ATOM 0 HD2 LYS A 93 -4.360 23.372 -10.356 1.00 4.50 H new ATOM 0 HD3 LYS A 93 -3.801 22.397 -11.701 1.00 4.50 H new ATOM 0 HE2 LYS A 93 -6.079 22.746 -12.257 1.00 33.33 H new ATOM 0 HE3 LYS A 93 -6.127 21.167 -11.498 1.00 33.33 H new ATOM 0 HZ1 LYS A 93 -7.318 21.956 -9.790 1.00 22.14 H new ATOM 0 HZ2 LYS A 93 -6.316 23.311 -9.583 1.00 22.14 H new ATOM 0 HZ3 LYS A 93 -7.571 23.351 -10.726 1.00 22.14 H new ATOM 1509 N SER A 94 -6.105 19.976 -5.844 1.00 53.35 N ATOM 1510 CA SER A 94 -6.880 20.197 -4.617 1.00 43.51 C ATOM 1511 C SER A 94 -6.967 18.929 -3.768 1.00 32.43 C ATOM 1512 O SER A 94 -6.575 18.930 -2.600 1.00 70.12 O ATOM 1513 CB SER A 94 -8.291 20.662 -4.977 1.00 31.12 C ATOM 1514 OG SER A 94 -8.215 21.641 -6.005 1.00 62.14 O ATOM 0 H SER A 94 -6.379 19.151 -6.377 1.00 53.35 H new ATOM 0 HA SER A 94 -6.368 20.962 -4.033 1.00 43.51 H new ATOM 0 HB2 SER A 94 -8.892 19.815 -5.309 1.00 31.12 H new ATOM 0 HB3 SER A 94 -8.784 21.078 -4.099 1.00 31.12 H new ATOM 0 HG SER A 94 -8.555 21.263 -6.843 1.00 62.14 H new ATOM 1520 N TYR A 95 -7.482 17.851 -4.352 1.00 15.34 N ATOM 1521 CA TYR A 95 -7.613 16.588 -3.629 1.00 5.52 C ATOM 1522 C TYR A 95 -7.644 15.423 -4.611 1.00 54.54 C ATOM 1523 O TYR A 95 -7.886 15.616 -5.801 1.00 1.12 O ATOM 1524 CB TYR A 95 -8.896 16.592 -2.800 1.00 44.14 C ATOM 1525 CG TYR A 95 -10.046 17.059 -3.660 1.00 23.33 C ATOM 1526 CD1 TYR A 95 -10.761 16.137 -4.434 1.00 54.52 C ATOM 1527 CD2 TYR A 95 -10.396 18.415 -3.686 1.00 23.14 C ATOM 1528 CE1 TYR A 95 -11.826 16.570 -5.233 1.00 52.44 C ATOM 1529 CE2 TYR A 95 -11.461 18.847 -4.485 1.00 51.23 C ATOM 1530 CZ TYR A 95 -12.175 17.925 -5.259 1.00 65.22 C ATOM 1531 OH TYR A 95 -13.225 18.352 -6.046 1.00 65.12 O ATOM 0 H TYR A 95 -7.813 17.825 -5.316 1.00 15.34 H new ATOM 0 HA TYR A 95 -6.756 16.474 -2.965 1.00 5.52 H new ATOM 0 HB2 TYR A 95 -9.097 15.592 -2.416 1.00 44.14 H new ATOM 0 HB3 TYR A 95 -8.783 17.248 -1.937 1.00 44.14 H new ATOM 0 HD1 TYR A 95 -10.491 15.092 -4.415 1.00 54.52 H new ATOM 0 HD2 TYR A 95 -9.844 19.127 -3.090 1.00 23.14 H new ATOM 0 HE1 TYR A 95 -12.378 15.859 -5.829 1.00 52.44 H new ATOM 0 HE2 TYR A 95 -11.732 19.892 -4.504 1.00 51.23 H new ATOM 0 HH TYR A 95 -13.335 19.321 -5.947 1.00 65.12 H new ATOM 1541 N ALA A 96 -7.386 14.213 -4.120 1.00 1.44 N ATOM 1542 CA ALA A 96 -7.380 13.045 -4.995 1.00 22.30 C ATOM 1543 C ALA A 96 -7.790 11.778 -4.252 1.00 13.33 C ATOM 1544 O ALA A 96 -7.435 11.577 -3.091 1.00 32.15 O ATOM 1545 CB ALA A 96 -5.979 12.846 -5.581 1.00 34.42 C ATOM 0 H ALA A 96 -7.182 14.018 -3.140 1.00 1.44 H new ATOM 0 HA ALA A 96 -8.104 13.226 -5.789 1.00 22.30 H new ATOM 0 HB1 ALA A 96 -5.978 11.973 -6.234 1.00 34.42 H new ATOM 0 HB2 ALA A 96 -5.696 13.728 -6.155 1.00 34.42 H new ATOM 0 HB3 ALA A 96 -5.264 12.695 -4.772 1.00 34.42 H new ATOM 1551 N VAL A 97 -8.511 10.911 -4.960 1.00 41.15 N ATOM 1552 CA VAL A 97 -8.947 9.629 -4.405 1.00 53.33 C ATOM 1553 C VAL A 97 -8.315 8.529 -5.234 1.00 34.43 C ATOM 1554 O VAL A 97 -8.560 8.437 -6.437 1.00 45.11 O ATOM 1555 CB VAL A 97 -10.477 9.509 -4.444 1.00 73.01 C ATOM 1556 CG1 VAL A 97 -10.943 8.498 -3.390 1.00 52.51 C ATOM 1557 CG2 VAL A 97 -11.104 10.877 -4.158 1.00 45.23 C ATOM 0 H VAL A 97 -8.807 11.073 -5.923 1.00 41.15 H new ATOM 0 HA VAL A 97 -8.638 9.550 -3.363 1.00 53.33 H new ATOM 0 HB VAL A 97 -10.788 9.167 -5.431 1.00 73.01 H new ATOM 0 HG11 VAL A 97 -12.029 8.415 -3.420 1.00 52.51 H new ATOM 0 HG12 VAL A 97 -10.499 7.525 -3.598 1.00 52.51 H new ATOM 0 HG13 VAL A 97 -10.632 8.834 -2.401 1.00 52.51 H new ATOM 0 HG21 VAL A 97 -12.190 10.792 -4.186 1.00 45.23 H new ATOM 0 HG22 VAL A 97 -10.792 11.221 -3.172 1.00 45.23 H new ATOM 0 HG23 VAL A 97 -10.777 11.592 -4.913 1.00 45.23 H new ATOM 1567 N ILE A 98 -7.459 7.727 -4.612 1.00 64.01 N ATOM 1568 CA ILE A 98 -6.749 6.679 -5.330 1.00 32.23 C ATOM 1569 C ILE A 98 -6.989 5.315 -4.698 1.00 22.44 C ATOM 1570 O ILE A 98 -7.186 5.202 -3.488 1.00 0.24 O ATOM 1571 CB ILE A 98 -5.257 7.009 -5.287 1.00 42.23 C ATOM 1572 CG1 ILE A 98 -5.067 8.508 -5.577 1.00 5.33 C ATOM 1573 CG2 ILE A 98 -4.502 6.180 -6.328 1.00 35.45 C ATOM 1574 CD1 ILE A 98 -3.587 8.872 -5.476 1.00 53.14 C ATOM 0 H ILE A 98 -7.241 7.783 -3.617 1.00 64.01 H new ATOM 0 HA ILE A 98 -7.111 6.635 -6.357 1.00 32.23 H new ATOM 0 HB ILE A 98 -4.862 6.771 -4.300 1.00 42.23 H new ATOM 0 HG12 ILE A 98 -5.442 8.745 -6.573 1.00 5.33 H new ATOM 0 HG13 ILE A 98 -5.646 9.101 -4.869 1.00 5.33 H new ATOM 0 HG21 ILE A 98 -3.440 6.424 -6.287 1.00 35.45 H new ATOM 0 HG22 ILE A 98 -4.639 5.119 -6.117 1.00 35.45 H new ATOM 0 HG23 ILE A 98 -4.888 6.405 -7.322 1.00 35.45 H new ATOM 0 HD11 ILE A 98 -3.459 9.935 -5.682 1.00 53.14 H new ATOM 0 HD12 ILE A 98 -3.226 8.651 -4.472 1.00 53.14 H new ATOM 0 HD13 ILE A 98 -3.019 8.290 -6.202 1.00 53.14 H new ATOM 1586 N TYR A 99 -6.973 4.281 -5.532 1.00 12.11 N ATOM 1587 CA TYR A 99 -7.194 2.922 -5.054 1.00 44.33 C ATOM 1588 C TYR A 99 -5.855 2.238 -4.790 1.00 11.43 C ATOM 1589 O TYR A 99 -5.137 1.862 -5.717 1.00 12.40 O ATOM 1590 CB TYR A 99 -7.990 2.132 -6.104 1.00 52.14 C ATOM 1591 CG TYR A 99 -8.782 1.030 -5.437 1.00 72.42 C ATOM 1592 CD1 TYR A 99 -9.984 1.330 -4.786 1.00 23.34 C ATOM 1593 CD2 TYR A 99 -8.317 -0.290 -5.476 1.00 23.22 C ATOM 1594 CE1 TYR A 99 -10.722 0.310 -4.173 1.00 31.33 C ATOM 1595 CE2 TYR A 99 -9.053 -1.310 -4.861 1.00 21.51 C ATOM 1596 CZ TYR A 99 -10.256 -1.010 -4.211 1.00 43.45 C ATOM 1597 OH TYR A 99 -10.982 -2.015 -3.606 1.00 3.02 O ATOM 0 H TYR A 99 -6.810 4.357 -6.536 1.00 12.11 H new ATOM 0 HA TYR A 99 -7.761 2.955 -4.123 1.00 44.33 H new ATOM 0 HB2 TYR A 99 -8.663 2.801 -6.640 1.00 52.14 H new ATOM 0 HB3 TYR A 99 -7.310 1.706 -6.842 1.00 52.14 H new ATOM 0 HD1 TYR A 99 -10.342 2.348 -4.756 1.00 23.34 H new ATOM 0 HD2 TYR A 99 -7.391 -0.521 -5.980 1.00 23.22 H new ATOM 0 HE1 TYR A 99 -11.650 0.541 -3.671 1.00 31.33 H new ATOM 0 HE2 TYR A 99 -8.693 -2.328 -4.888 1.00 21.51 H new ATOM 0 HH TYR A 99 -10.659 -2.886 -3.919 1.00 3.02 H new ATOM 1607 N ALA A 100 -5.529 2.097 -3.507 1.00 60.31 N ATOM 1608 CA ALA A 100 -4.271 1.474 -3.099 1.00 51.13 C ATOM 1609 C ALA A 100 -4.510 0.044 -2.638 1.00 41.03 C ATOM 1610 O ALA A 100 -5.491 -0.243 -1.951 1.00 31.34 O ATOM 1611 CB ALA A 100 -3.631 2.271 -1.960 1.00 1.40 C ATOM 0 H ALA A 100 -6.117 2.405 -2.733 1.00 60.31 H new ATOM 0 HA ALA A 100 -3.600 1.466 -3.958 1.00 51.13 H new ATOM 0 HB1 ALA A 100 -2.695 1.797 -1.665 1.00 1.40 H new ATOM 0 HB2 ALA A 100 -3.432 3.289 -2.295 1.00 1.40 H new ATOM 0 HB3 ALA A 100 -4.309 2.296 -1.107 1.00 1.40 H new ATOM 1617 N THR A 101 -3.607 -0.852 -3.023 1.00 24.01 N ATOM 1618 CA THR A 101 -3.727 -2.255 -2.648 1.00 73.20 C ATOM 1619 C THR A 101 -2.358 -2.862 -2.367 1.00 43.22 C ATOM 1620 O THR A 101 -1.425 -2.727 -3.160 1.00 4.25 O ATOM 1621 CB THR A 101 -4.419 -3.040 -3.765 1.00 75.11 C ATOM 1622 OG1 THR A 101 -4.438 -4.420 -3.430 1.00 62.23 O ATOM 1623 CG2 THR A 101 -3.661 -2.842 -5.078 1.00 74.44 C ATOM 0 H THR A 101 -2.789 -0.633 -3.591 1.00 24.01 H new ATOM 0 HA THR A 101 -4.326 -2.313 -1.739 1.00 73.20 H new ATOM 0 HB THR A 101 -5.441 -2.680 -3.882 1.00 75.11 H new ATOM 0 HG1 THR A 101 -4.654 -4.523 -2.480 1.00 62.23 H new ATOM 0 HG21 THR A 101 -4.156 -3.402 -5.872 1.00 74.44 H new ATOM 0 HG22 THR A 101 -3.648 -1.783 -5.335 1.00 74.44 H new ATOM 0 HG23 THR A 101 -2.638 -3.200 -4.965 1.00 74.44 H new ATOM 1631 N ARG A 102 -2.259 -3.546 -1.234 1.00 61.03 N ATOM 1632 CA ARG A 102 -1.021 -4.204 -0.829 1.00 5.41 C ATOM 1633 C ARG A 102 -1.313 -5.675 -0.579 1.00 54.23 C ATOM 1634 O ARG A 102 -2.306 -6.008 0.074 1.00 15.34 O ATOM 1635 CB ARG A 102 -0.481 -3.554 0.449 1.00 60.00 C ATOM 1636 CG ARG A 102 0.884 -4.148 0.804 1.00 14.52 C ATOM 1637 CD ARG A 102 1.297 -3.674 2.199 1.00 72.51 C ATOM 1638 NE ARG A 102 0.302 -4.087 3.184 1.00 20.24 N ATOM 1639 CZ ARG A 102 0.325 -5.303 3.717 1.00 30.11 C ATOM 1640 NH1 ARG A 102 1.250 -6.153 3.363 1.00 54.53 N ATOM 1641 NH2 ARG A 102 -0.577 -5.649 4.593 1.00 50.21 N ATOM 0 H ARG A 102 -3.028 -3.661 -0.574 1.00 61.03 H new ATOM 0 HA ARG A 102 -0.272 -4.103 -1.614 1.00 5.41 H new ATOM 0 HB2 ARG A 102 -0.392 -2.477 0.309 1.00 60.00 H new ATOM 0 HB3 ARG A 102 -1.180 -3.712 1.270 1.00 60.00 H new ATOM 0 HG2 ARG A 102 0.837 -5.237 0.777 1.00 14.52 H new ATOM 0 HG3 ARG A 102 1.628 -3.842 0.069 1.00 14.52 H new ATOM 0 HD2 ARG A 102 2.271 -4.088 2.459 1.00 72.51 H new ATOM 0 HD3 ARG A 102 1.400 -2.589 2.207 1.00 72.51 H new ATOM 0 HE ARG A 102 -0.424 -3.429 3.468 1.00 20.24 H new ATOM 0 HH11 ARG A 102 1.955 -5.883 2.677 1.00 54.53 H new ATOM 0 HH12 ARG A 102 1.268 -7.087 3.772 1.00 54.53 H new ATOM 0 HH21 ARG A 102 -1.301 -4.985 4.869 1.00 50.21 H new ATOM 0 HH22 ARG A 102 -0.559 -6.583 5.002 1.00 50.21 H new ATOM 1655 N VAL A 103 -0.482 -6.564 -1.123 1.00 61.31 N ATOM 1656 CA VAL A 103 -0.713 -7.999 -0.954 1.00 22.05 C ATOM 1657 C VAL A 103 0.484 -8.685 -0.311 1.00 4.11 C ATOM 1658 O VAL A 103 1.586 -8.688 -0.858 1.00 23.25 O ATOM 1659 CB VAL A 103 -1.001 -8.637 -2.317 1.00 35.21 C ATOM 1660 CG1 VAL A 103 0.177 -8.394 -3.267 1.00 4.22 C ATOM 1661 CG2 VAL A 103 -1.213 -10.144 -2.140 1.00 62.12 C ATOM 0 H VAL A 103 0.342 -6.323 -1.674 1.00 61.31 H new ATOM 0 HA VAL A 103 -1.570 -8.128 -0.293 1.00 22.05 H new ATOM 0 HB VAL A 103 -1.900 -8.188 -2.740 1.00 35.21 H new ATOM 0 HG11 VAL A 103 -0.035 -8.850 -4.234 1.00 4.22 H new ATOM 0 HG12 VAL A 103 0.325 -7.322 -3.397 1.00 4.22 H new ATOM 0 HG13 VAL A 103 1.080 -8.837 -2.847 1.00 4.22 H new ATOM 0 HG21 VAL A 103 -1.418 -10.599 -3.109 1.00 62.12 H new ATOM 0 HG22 VAL A 103 -0.315 -10.590 -1.712 1.00 62.12 H new ATOM 0 HG23 VAL A 103 -2.057 -10.317 -1.472 1.00 62.12 H new ATOM 1671 N LYS A 104 0.247 -9.279 0.856 1.00 3.15 N ATOM 1672 CA LYS A 104 1.293 -9.993 1.580 1.00 32.13 C ATOM 1673 C LYS A 104 1.144 -11.491 1.323 1.00 22.11 C ATOM 1674 O LYS A 104 0.128 -11.934 0.788 1.00 10.01 O ATOM 1675 CB LYS A 104 1.177 -9.700 3.087 1.00 14.51 C ATOM 1676 CG LYS A 104 2.559 -9.793 3.758 1.00 2.35 C ATOM 1677 CD LYS A 104 3.287 -8.449 3.641 1.00 64.04 C ATOM 1678 CE LYS A 104 4.763 -8.635 3.998 1.00 0.02 C ATOM 1679 NZ LYS A 104 5.452 -7.314 3.970 1.00 4.41 N ATOM 0 H LYS A 104 -0.661 -9.279 1.320 1.00 3.15 H new ATOM 0 HA LYS A 104 2.272 -9.662 1.234 1.00 32.13 H new ATOM 0 HB2 LYS A 104 0.757 -8.706 3.240 1.00 14.51 H new ATOM 0 HB3 LYS A 104 0.492 -10.410 3.551 1.00 14.51 H new ATOM 0 HG2 LYS A 104 2.446 -10.065 4.807 1.00 2.35 H new ATOM 0 HG3 LYS A 104 3.150 -10.579 3.287 1.00 2.35 H new ATOM 0 HD2 LYS A 104 3.193 -8.060 2.627 1.00 64.04 H new ATOM 0 HD3 LYS A 104 2.830 -7.717 4.307 1.00 64.04 H new ATOM 0 HE2 LYS A 104 4.855 -9.084 4.987 1.00 0.02 H new ATOM 0 HE3 LYS A 104 5.235 -9.318 3.292 1.00 0.02 H new ATOM 0 HZ1 LYS A 104 6.455 -7.441 4.213 1.00 4.41 H new ATOM 0 HZ2 LYS A 104 5.375 -6.903 3.018 1.00 4.41 H new ATOM 0 HZ3 LYS A 104 5.007 -6.676 4.660 1.00 4.41 H new ATOM 1693 N ASP A 105 2.154 -12.264 1.693 1.00 4.52 N ATOM 1694 CA ASP A 105 2.104 -13.703 1.478 1.00 33.04 C ATOM 1695 C ASP A 105 0.907 -14.316 2.201 1.00 40.01 C ATOM 1696 O ASP A 105 0.900 -14.432 3.427 1.00 25.42 O ATOM 1697 CB ASP A 105 3.393 -14.351 1.983 1.00 54.53 C ATOM 1698 CG ASP A 105 4.585 -13.832 1.186 1.00 72.43 C ATOM 1699 OD1 ASP A 105 4.616 -14.063 -0.012 1.00 31.34 O ATOM 1700 OD2 ASP A 105 5.448 -13.212 1.784 1.00 4.54 O ATOM 0 H ASP A 105 3.007 -11.926 2.138 1.00 4.52 H new ATOM 0 HA ASP A 105 1.999 -13.886 0.409 1.00 33.04 H new ATOM 0 HB2 ASP A 105 3.530 -14.131 3.042 1.00 54.53 H new ATOM 0 HB3 ASP A 105 3.326 -15.435 1.889 1.00 54.53 H new ATOM 1705 N GLY A 106 -0.096 -14.729 1.426 1.00 64.04 N ATOM 1706 CA GLY A 106 -1.290 -15.357 1.990 1.00 22.21 C ATOM 1707 C GLY A 106 -2.398 -14.346 2.287 1.00 71.13 C ATOM 1708 O GLY A 106 -3.539 -14.737 2.539 1.00 62.32 O ATOM 0 H GLY A 106 -0.105 -14.640 0.410 1.00 64.04 H new ATOM 0 HA2 GLY A 106 -1.665 -16.108 1.294 1.00 22.21 H new ATOM 0 HA3 GLY A 106 -1.023 -15.879 2.909 1.00 22.21 H new ATOM 1712 N ARG A 107 -2.070 -13.053 2.275 1.00 52.25 N ATOM 1713 CA ARG A 107 -3.070 -12.016 2.568 1.00 30.51 C ATOM 1714 C ARG A 107 -3.128 -10.956 1.468 1.00 45.05 C ATOM 1715 O ARG A 107 -2.099 -10.474 0.995 1.00 5.05 O ATOM 1716 CB ARG A 107 -2.736 -11.341 3.900 1.00 72.11 C ATOM 1717 CG ARG A 107 -2.752 -12.383 5.020 1.00 50.40 C ATOM 1718 CD ARG A 107 -2.581 -11.685 6.370 1.00 41.32 C ATOM 1719 NE ARG A 107 -1.428 -10.791 6.331 1.00 31.44 N ATOM 1720 CZ ARG A 107 -0.933 -10.261 7.445 1.00 60.31 C ATOM 1721 NH1 ARG A 107 -1.476 -10.541 8.598 1.00 52.42 N ATOM 1722 NH2 ARG A 107 0.097 -9.461 7.385 1.00 73.55 N ATOM 0 H ARG A 107 -1.136 -12.699 2.069 1.00 52.25 H new ATOM 0 HA ARG A 107 -4.044 -12.502 2.623 1.00 30.51 H new ATOM 0 HB2 ARG A 107 -1.756 -10.867 3.844 1.00 72.11 H new ATOM 0 HB3 ARG A 107 -3.459 -10.553 4.112 1.00 72.11 H new ATOM 0 HG2 ARG A 107 -3.690 -12.937 5.002 1.00 50.40 H new ATOM 0 HG3 ARG A 107 -1.951 -13.107 4.869 1.00 50.40 H new ATOM 0 HD2 ARG A 107 -3.481 -11.120 6.612 1.00 41.32 H new ATOM 0 HD3 ARG A 107 -2.449 -12.427 7.157 1.00 41.32 H new ATOM 0 HE ARG A 107 -0.995 -10.569 5.434 1.00 31.44 H new ATOM 0 HH11 ARG A 107 -2.280 -11.167 8.644 1.00 52.42 H new ATOM 0 HH12 ARG A 107 -1.096 -10.134 9.453 1.00 52.42 H new ATOM 0 HH21 ARG A 107 0.522 -9.243 6.484 1.00 73.55 H new ATOM 0 HH22 ARG A 107 0.477 -9.054 8.240 1.00 73.55 H new ATOM 1736 N THR A 108 -4.354 -10.590 1.083 1.00 4.34 N ATOM 1737 CA THR A 108 -4.575 -9.572 0.052 1.00 63.42 C ATOM 1738 C THR A 108 -5.586 -8.541 0.547 1.00 41.25 C ATOM 1739 O THR A 108 -6.566 -8.894 1.203 1.00 23.14 O ATOM 1740 CB THR A 108 -5.096 -10.229 -1.228 1.00 61.41 C ATOM 1741 OG1 THR A 108 -4.192 -11.244 -1.641 1.00 42.34 O ATOM 1742 CG2 THR A 108 -5.222 -9.176 -2.330 1.00 65.12 C ATOM 0 H THR A 108 -5.211 -10.985 1.471 1.00 4.34 H new ATOM 0 HA THR A 108 -3.629 -9.074 -0.160 1.00 63.42 H new ATOM 0 HB THR A 108 -6.074 -10.670 -1.037 1.00 61.41 H new ATOM 0 HG1 THR A 108 -4.526 -11.666 -2.460 1.00 42.34 H new ATOM 0 HG21 THR A 108 -5.593 -9.645 -3.241 1.00 65.12 H new ATOM 0 HG22 THR A 108 -5.917 -8.399 -2.013 1.00 65.12 H new ATOM 0 HG23 THR A 108 -4.245 -8.732 -2.523 1.00 65.12 H new ATOM 1750 N LEU A 109 -5.358 -7.267 0.223 1.00 43.23 N ATOM 1751 CA LEU A 109 -6.296 -6.225 0.651 1.00 64.43 C ATOM 1752 C LEU A 109 -6.275 -5.002 -0.234 1.00 14.32 C ATOM 1753 O LEU A 109 -5.287 -4.705 -0.906 1.00 21.44 O ATOM 1754 CB LEU A 109 -5.994 -5.787 2.082 1.00 3.33 C ATOM 1755 CG LEU A 109 -4.739 -4.886 2.128 1.00 55.33 C ATOM 1756 CD1 LEU A 109 -5.128 -3.393 2.036 1.00 64.01 C ATOM 1757 CD2 LEU A 109 -3.984 -5.136 3.440 1.00 13.03 C ATOM 0 H LEU A 109 -4.558 -6.937 -0.317 1.00 43.23 H new ATOM 0 HA LEU A 109 -7.287 -6.674 0.582 1.00 64.43 H new ATOM 0 HB2 LEU A 109 -6.849 -5.248 2.490 1.00 3.33 H new ATOM 0 HB3 LEU A 109 -5.841 -6.664 2.711 1.00 3.33 H new ATOM 0 HG LEU A 109 -4.104 -5.131 1.277 1.00 55.33 H new ATOM 0 HD11 LEU A 109 -4.228 -2.780 2.070 1.00 64.01 H new ATOM 0 HD12 LEU A 109 -5.655 -3.211 1.099 1.00 64.01 H new ATOM 0 HD13 LEU A 109 -5.776 -3.134 2.873 1.00 64.01 H new ATOM 0 HD21 LEU A 109 -3.098 -4.502 3.476 1.00 13.03 H new ATOM 0 HD22 LEU A 109 -4.633 -4.901 4.284 1.00 13.03 H new ATOM 0 HD23 LEU A 109 -3.684 -6.183 3.493 1.00 13.03 H new ATOM 1769 N HIS A 110 -7.380 -4.270 -0.175 1.00 4.52 N ATOM 1770 CA HIS A 110 -7.516 -3.033 -0.916 1.00 62.11 C ATOM 1771 C HIS A 110 -7.950 -1.923 0.038 1.00 21.10 C ATOM 1772 O HIS A 110 -8.539 -2.203 1.083 1.00 1.34 O ATOM 1773 CB HIS A 110 -8.529 -3.189 -2.050 1.00 64.31 C ATOM 1774 CG HIS A 110 -9.765 -3.869 -1.528 1.00 54.24 C ATOM 1775 ND1 HIS A 110 -9.824 -5.239 -1.325 1.00 13.34 N ATOM 1776 CD2 HIS A 110 -10.997 -3.382 -1.166 1.00 63.31 C ATOM 1777 CE1 HIS A 110 -11.054 -5.527 -0.860 1.00 5.01 C ATOM 1778 NE2 HIS A 110 -11.809 -4.431 -0.744 1.00 62.11 N ATOM 0 H HIS A 110 -8.197 -4.518 0.383 1.00 4.52 H new ATOM 0 HA HIS A 110 -6.555 -2.775 -1.361 1.00 62.11 H new ATOM 0 HB2 HIS A 110 -8.784 -2.212 -2.461 1.00 64.31 H new ATOM 0 HB3 HIS A 110 -8.095 -3.773 -2.862 1.00 64.31 H new ATOM 0 HD2 HIS A 110 -11.291 -2.343 -1.203 1.00 63.31 H new ATOM 0 HE1 HIS A 110 -11.390 -6.523 -0.611 1.00 5.01 H new ATOM 0 HE2 HIS A 110 -12.773 -4.375 -0.417 1.00 62.11 H new ATOM 1786 N MET A 111 -7.658 -0.667 -0.301 1.00 60.55 N ATOM 1787 CA MET A 111 -8.034 0.447 0.566 1.00 21.20 C ATOM 1788 C MET A 111 -8.104 1.754 -0.225 1.00 44.45 C ATOM 1789 O MET A 111 -7.426 1.911 -1.240 1.00 23.21 O ATOM 1790 CB MET A 111 -7.022 0.582 1.712 1.00 70.05 C ATOM 1791 CG MET A 111 -5.630 0.193 1.215 1.00 54.42 C ATOM 1792 SD MET A 111 -4.393 0.736 2.421 1.00 4.41 S ATOM 1793 CE MET A 111 -3.841 2.222 1.546 1.00 62.20 C ATOM 0 H MET A 111 -7.170 -0.399 -1.156 1.00 60.55 H new ATOM 0 HA MET A 111 -9.022 0.243 0.979 1.00 21.20 H new ATOM 0 HB2 MET A 111 -7.013 1.606 2.084 1.00 70.05 H new ATOM 0 HB3 MET A 111 -7.314 -0.057 2.545 1.00 70.05 H new ATOM 0 HG2 MET A 111 -5.569 -0.886 1.075 1.00 54.42 H new ATOM 0 HG3 MET A 111 -5.436 0.652 0.245 1.00 54.42 H new ATOM 0 HE1 MET A 111 -3.287 2.863 2.232 1.00 62.20 H new ATOM 0 HE2 MET A 111 -3.196 1.936 0.715 1.00 62.20 H new ATOM 0 HE3 MET A 111 -4.707 2.762 1.164 1.00 62.20 H new ATOM 1803 N MET A 112 -8.910 2.700 0.260 1.00 1.24 N ATOM 1804 CA MET A 112 -9.034 4.002 -0.402 1.00 41.25 C ATOM 1805 C MET A 112 -8.174 5.019 0.338 1.00 62.23 C ATOM 1806 O MET A 112 -8.102 4.998 1.566 1.00 24.34 O ATOM 1807 CB MET A 112 -10.491 4.518 -0.399 1.00 1.31 C ATOM 1808 CG MET A 112 -11.505 3.369 -0.392 1.00 72.30 C ATOM 1809 SD MET A 112 -11.726 2.745 -2.079 1.00 21.22 S ATOM 1810 CE MET A 112 -12.536 4.209 -2.783 1.00 60.13 C ATOM 0 H MET A 112 -9.481 2.593 1.099 1.00 1.24 H new ATOM 0 HA MET A 112 -8.711 3.878 -1.436 1.00 41.25 H new ATOM 0 HB2 MET A 112 -10.651 5.148 0.476 1.00 1.31 H new ATOM 0 HB3 MET A 112 -10.657 5.143 -1.277 1.00 1.31 H new ATOM 0 HG2 MET A 112 -11.158 2.568 0.261 1.00 72.30 H new ATOM 0 HG3 MET A 112 -12.459 3.714 0.007 1.00 72.30 H new ATOM 0 HE1 MET A 112 -13.370 3.897 -3.411 1.00 60.13 H new ATOM 0 HE2 MET A 112 -12.906 4.843 -1.977 1.00 60.13 H new ATOM 0 HE3 MET A 112 -11.819 4.768 -3.384 1.00 60.13 H new ATOM 1820 N ARG A 113 -7.523 5.907 -0.407 1.00 24.51 N ATOM 1821 CA ARG A 113 -6.671 6.922 0.210 1.00 61.01 C ATOM 1822 C ARG A 113 -7.042 8.309 -0.295 1.00 42.32 C ATOM 1823 O ARG A 113 -7.142 8.538 -1.500 1.00 50.01 O ATOM 1824 CB ARG A 113 -5.206 6.616 -0.123 1.00 13.15 C ATOM 1825 CG ARG A 113 -4.292 7.776 0.331 1.00 5.41 C ATOM 1826 CD ARG A 113 -3.938 8.688 -0.852 1.00 24.14 C ATOM 1827 NE ARG A 113 -2.764 9.487 -0.527 1.00 43.44 N ATOM 1828 CZ ARG A 113 -2.115 10.171 -1.463 1.00 42.21 C ATOM 1829 NH1 ARG A 113 -2.535 10.148 -2.698 1.00 24.31 N ATOM 1830 NH2 ARG A 113 -1.056 10.865 -1.147 1.00 10.22 N ATOM 0 H ARG A 113 -7.566 5.946 -1.425 1.00 24.51 H new ATOM 0 HA ARG A 113 -6.814 6.903 1.290 1.00 61.01 H new ATOM 0 HB2 ARG A 113 -4.901 5.692 0.368 1.00 13.15 H new ATOM 0 HB3 ARG A 113 -5.097 6.458 -1.196 1.00 13.15 H new ATOM 0 HG2 ARG A 113 -4.792 8.357 1.106 1.00 5.41 H new ATOM 0 HG3 ARG A 113 -3.380 7.375 0.772 1.00 5.41 H new ATOM 0 HD2 ARG A 113 -3.745 8.087 -1.741 1.00 24.14 H new ATOM 0 HD3 ARG A 113 -4.780 9.340 -1.084 1.00 24.14 H new ATOM 0 HE ARG A 113 -2.434 9.522 0.438 1.00 43.44 H new ATOM 0 HH11 ARG A 113 -3.362 9.605 -2.945 1.00 24.31 H new ATOM 0 HH12 ARG A 113 -2.036 10.673 -3.416 1.00 24.31 H new ATOM 0 HH21 ARG A 113 -0.727 10.882 -0.182 1.00 10.22 H new ATOM 0 HH22 ARG A 113 -0.557 11.390 -1.865 1.00 10.22 H new ATOM 1844 N LEU A 114 -7.251 9.234 0.644 1.00 44.05 N ATOM 1845 CA LEU A 114 -7.621 10.606 0.310 1.00 33.01 C ATOM 1846 C LEU A 114 -6.510 11.555 0.721 1.00 22.40 C ATOM 1847 O LEU A 114 -6.079 11.559 1.883 1.00 63.31 O ATOM 1848 CB LEU A 114 -8.904 10.984 1.058 1.00 60.50 C ATOM 1849 CG LEU A 114 -9.288 12.444 0.772 1.00 65.24 C ATOM 1850 CD1 LEU A 114 -9.504 12.645 -0.733 1.00 31.23 C ATOM 1851 CD2 LEU A 114 -10.581 12.781 1.526 1.00 32.04 C ATOM 0 H LEU A 114 -7.169 9.054 1.645 1.00 44.05 H new ATOM 0 HA LEU A 114 -7.782 10.680 -0.765 1.00 33.01 H new ATOM 0 HB2 LEU A 114 -9.716 10.323 0.755 1.00 60.50 H new ATOM 0 HB3 LEU A 114 -8.761 10.843 2.129 1.00 60.50 H new ATOM 0 HG LEU A 114 -8.484 13.101 1.105 1.00 65.24 H new ATOM 0 HD11 LEU A 114 -9.776 13.683 -0.926 1.00 31.23 H new ATOM 0 HD12 LEU A 114 -8.585 12.405 -1.268 1.00 31.23 H new ATOM 0 HD13 LEU A 114 -10.305 11.990 -1.076 1.00 31.23 H new ATOM 0 HD21 LEU A 114 -10.859 13.816 1.327 1.00 32.04 H new ATOM 0 HD22 LEU A 114 -11.380 12.120 1.191 1.00 32.04 H new ATOM 0 HD23 LEU A 114 -10.424 12.647 2.596 1.00 32.04 H new ATOM 1863 N TYR A 115 -6.043 12.349 -0.239 1.00 44.23 N ATOM 1864 CA TYR A 115 -4.967 13.299 0.013 1.00 40.14 C ATOM 1865 C TYR A 115 -5.438 14.734 -0.239 1.00 22.21 C ATOM 1866 O TYR A 115 -6.401 14.965 -0.970 1.00 31.11 O ATOM 1867 CB TYR A 115 -3.757 12.936 -0.887 1.00 72.13 C ATOM 1868 CG TYR A 115 -3.496 14.011 -1.927 1.00 45.11 C ATOM 1869 CD1 TYR A 115 -4.497 14.348 -2.844 1.00 0.14 C ATOM 1870 CD2 TYR A 115 -2.256 14.662 -1.976 1.00 5.33 C ATOM 1871 CE1 TYR A 115 -4.263 15.334 -3.809 1.00 24.35 C ATOM 1872 CE2 TYR A 115 -2.022 15.650 -2.941 1.00 60.25 C ATOM 1873 CZ TYR A 115 -3.025 15.986 -3.858 1.00 33.12 C ATOM 1874 OH TYR A 115 -2.793 16.958 -4.809 1.00 75.14 O ATOM 0 H TYR A 115 -6.393 12.352 -1.197 1.00 44.23 H new ATOM 0 HA TYR A 115 -4.664 13.241 1.058 1.00 40.14 H new ATOM 0 HB2 TYR A 115 -2.869 12.803 -0.269 1.00 72.13 H new ATOM 0 HB3 TYR A 115 -3.945 11.985 -1.385 1.00 72.13 H new ATOM 0 HD1 TYR A 115 -5.453 13.846 -2.807 1.00 0.14 H new ATOM 0 HD2 TYR A 115 -1.481 14.402 -1.270 1.00 5.33 H new ATOM 0 HE1 TYR A 115 -5.037 15.592 -4.516 1.00 24.35 H new ATOM 0 HE2 TYR A 115 -1.067 16.153 -2.978 1.00 60.25 H new ATOM 0 HH TYR A 115 -3.440 17.686 -4.697 1.00 75.14 H new ATOM 1884 N SER A 116 -4.736 15.691 0.363 1.00 70.41 N ATOM 1885 CA SER A 116 -5.057 17.109 0.197 1.00 12.03 C ATOM 1886 C SER A 116 -3.837 17.838 -0.347 1.00 55.25 C ATOM 1887 O SER A 116 -2.706 17.475 -0.030 1.00 2.11 O ATOM 1888 CB SER A 116 -5.458 17.722 1.541 1.00 21.23 C ATOM 1889 OG SER A 116 -5.698 19.112 1.367 1.00 45.04 O ATOM 0 H SER A 116 -3.938 15.511 0.972 1.00 70.41 H new ATOM 0 HA SER A 116 -5.890 17.207 -0.499 1.00 12.03 H new ATOM 0 HB2 SER A 116 -6.352 17.232 1.926 1.00 21.23 H new ATOM 0 HB3 SER A 116 -4.668 17.566 2.276 1.00 21.23 H new ATOM 0 HG SER A 116 -5.682 19.558 2.239 1.00 45.04 H new ATOM 1895 N ARG A 117 -4.055 18.861 -1.165 1.00 43.54 N ATOM 1896 CA ARG A 117 -2.942 19.613 -1.731 1.00 25.41 C ATOM 1897 C ARG A 117 -2.430 20.634 -0.719 1.00 54.24 C ATOM 1898 O ARG A 117 -1.276 21.060 -0.776 1.00 55.14 O ATOM 1899 CB ARG A 117 -3.407 20.326 -3.009 1.00 32.42 C ATOM 1900 CG ARG A 117 -2.206 20.930 -3.757 1.00 15.50 C ATOM 1901 CD ARG A 117 -1.568 19.879 -4.675 1.00 50.14 C ATOM 1902 NE ARG A 117 -0.177 20.227 -4.940 1.00 63.53 N ATOM 1903 CZ ARG A 117 0.753 20.100 -3.999 1.00 63.54 C ATOM 1904 NH1 ARG A 117 0.429 19.654 -2.816 1.00 72.23 N ATOM 1905 NH2 ARG A 117 1.991 20.423 -4.257 1.00 71.13 N ATOM 0 H ARG A 117 -4.980 19.186 -1.448 1.00 43.54 H new ATOM 0 HA ARG A 117 -2.130 18.927 -1.974 1.00 25.41 H new ATOM 0 HB2 ARG A 117 -3.929 19.621 -3.656 1.00 32.42 H new ATOM 0 HB3 ARG A 117 -4.118 21.112 -2.755 1.00 32.42 H new ATOM 0 HG2 ARG A 117 -2.530 21.789 -4.345 1.00 15.50 H new ATOM 0 HG3 ARG A 117 -1.469 21.294 -3.041 1.00 15.50 H new ATOM 0 HD2 ARG A 117 -1.623 18.895 -4.209 1.00 50.14 H new ATOM 0 HD3 ARG A 117 -2.121 19.819 -5.612 1.00 50.14 H new ATOM 0 HE ARG A 117 0.087 20.573 -5.862 1.00 63.53 H new ATOM 0 HH11 ARG A 117 -0.538 19.403 -2.613 1.00 72.23 H new ATOM 0 HH12 ARG A 117 1.143 19.557 -2.094 1.00 72.23 H new ATOM 0 HH21 ARG A 117 2.245 20.773 -5.181 1.00 71.13 H new ATOM 0 HH22 ARG A 117 2.705 20.326 -3.535 1.00 71.13 H new ATOM 1919 N SER A 118 -3.299 21.016 0.214 1.00 24.42 N ATOM 1920 CA SER A 118 -2.935 21.986 1.246 1.00 34.12 C ATOM 1921 C SER A 118 -3.296 21.446 2.634 1.00 61.40 C ATOM 1922 O SER A 118 -4.318 20.778 2.792 1.00 0.21 O ATOM 1923 CB SER A 118 -3.681 23.297 1.000 1.00 11.54 C ATOM 1924 OG SER A 118 -3.313 24.245 1.993 1.00 62.22 O ATOM 0 H SER A 118 -4.257 20.671 0.277 1.00 24.42 H new ATOM 0 HA SER A 118 -1.860 22.161 1.203 1.00 34.12 H new ATOM 0 HB2 SER A 118 -3.444 23.682 0.008 1.00 11.54 H new ATOM 0 HB3 SER A 118 -4.757 23.126 1.026 1.00 11.54 H new ATOM 0 HG SER A 118 -3.790 25.086 1.835 1.00 62.22 H new ATOM 1930 N PRO A 119 -2.491 21.720 3.636 1.00 14.32 N ATOM 1931 CA PRO A 119 -2.752 21.250 5.026 1.00 30.02 C ATOM 1932 C PRO A 119 -4.237 21.284 5.386 1.00 14.44 C ATOM 1933 O PRO A 119 -4.680 20.583 6.295 1.00 34.41 O ATOM 1934 CB PRO A 119 -1.956 22.238 5.878 1.00 55.11 C ATOM 1935 CG PRO A 119 -0.795 22.644 5.024 1.00 1.31 C ATOM 1936 CD PRO A 119 -1.242 22.501 3.562 1.00 1.25 C ATOM 0 HA PRO A 119 -2.461 20.210 5.174 1.00 30.02 H new ATOM 0 HB2 PRO A 119 -2.564 23.100 6.153 1.00 55.11 H new ATOM 0 HB3 PRO A 119 -1.620 21.776 6.806 1.00 55.11 H new ATOM 0 HG2 PRO A 119 -0.499 23.671 5.238 1.00 1.31 H new ATOM 0 HG3 PRO A 119 0.071 22.014 5.226 1.00 1.31 H new ATOM 0 HD2 PRO A 119 -1.408 23.474 3.100 1.00 1.25 H new ATOM 0 HD3 PRO A 119 -0.488 21.989 2.964 1.00 1.25 H new ATOM 1944 N GLU A 120 -4.999 22.104 4.669 1.00 24.15 N ATOM 1945 CA GLU A 120 -6.424 22.226 4.918 1.00 14.33 C ATOM 1946 C GLU A 120 -7.183 21.109 4.219 1.00 33.04 C ATOM 1947 O GLU A 120 -6.677 20.478 3.292 1.00 2.01 O ATOM 1948 CB GLU A 120 -6.929 23.574 4.409 1.00 72.33 C ATOM 1949 CG GLU A 120 -6.025 24.692 4.933 1.00 42.31 C ATOM 1950 CD GLU A 120 -6.615 26.051 4.573 1.00 41.13 C ATOM 1951 OE1 GLU A 120 -7.527 26.083 3.763 1.00 32.14 O ATOM 1952 OE2 GLU A 120 -6.147 27.039 5.113 1.00 41.25 O ATOM 0 H GLU A 120 -4.650 22.692 3.912 1.00 24.15 H new ATOM 0 HA GLU A 120 -6.593 22.154 5.992 1.00 14.33 H new ATOM 0 HB2 GLU A 120 -6.939 23.582 3.319 1.00 72.33 H new ATOM 0 HB3 GLU A 120 -7.955 23.737 4.739 1.00 72.33 H new ATOM 0 HG2 GLU A 120 -5.918 24.608 6.014 1.00 42.31 H new ATOM 0 HG3 GLU A 120 -5.027 24.595 4.505 1.00 42.31 H new ATOM 1959 N VAL A 121 -8.403 20.883 4.675 1.00 32.41 N ATOM 1960 CA VAL A 121 -9.262 19.846 4.104 1.00 31.23 C ATOM 1961 C VAL A 121 -10.520 20.467 3.503 1.00 11.20 C ATOM 1962 O VAL A 121 -11.350 21.024 4.219 1.00 54.50 O ATOM 1963 CB VAL A 121 -9.660 18.848 5.192 1.00 24.01 C ATOM 1964 CG1 VAL A 121 -10.298 17.613 4.551 1.00 44.14 C ATOM 1965 CG2 VAL A 121 -8.415 18.429 5.978 1.00 23.14 C ATOM 0 H VAL A 121 -8.827 21.404 5.443 1.00 32.41 H new ATOM 0 HA VAL A 121 -8.710 19.332 3.318 1.00 31.23 H new ATOM 0 HB VAL A 121 -10.378 19.316 5.866 1.00 24.01 H new ATOM 0 HG11 VAL A 121 -10.580 16.904 5.329 1.00 44.14 H new ATOM 0 HG12 VAL A 121 -11.185 17.911 3.992 1.00 44.14 H new ATOM 0 HG13 VAL A 121 -9.583 17.144 3.875 1.00 44.14 H new ATOM 0 HG21 VAL A 121 -8.697 17.718 6.754 1.00 23.14 H new ATOM 0 HG22 VAL A 121 -7.698 17.963 5.302 1.00 23.14 H new ATOM 0 HG23 VAL A 121 -7.963 19.307 6.438 1.00 23.14 H new ATOM 1975 N SER A 122 -10.655 20.365 2.184 1.00 22.43 N ATOM 1976 CA SER A 122 -11.818 20.920 1.501 1.00 34.13 C ATOM 1977 C SER A 122 -13.040 20.023 1.725 1.00 33.32 C ATOM 1978 O SER A 122 -12.912 18.798 1.743 1.00 72.35 O ATOM 1979 CB SER A 122 -11.531 21.037 0.003 1.00 1.24 C ATOM 1980 OG SER A 122 -12.457 21.941 -0.586 1.00 2.34 O ATOM 0 H SER A 122 -9.980 19.907 1.572 1.00 22.43 H new ATOM 0 HA SER A 122 -12.027 21.910 1.907 1.00 34.13 H new ATOM 0 HB2 SER A 122 -10.511 21.388 -0.157 1.00 1.24 H new ATOM 0 HB3 SER A 122 -11.609 20.059 -0.471 1.00 1.24 H new ATOM 0 HG SER A 122 -12.273 22.018 -1.546 1.00 2.34 H new ATOM 1986 N PRO A 123 -14.211 20.590 1.901 1.00 54.42 N ATOM 1987 CA PRO A 123 -15.451 19.792 2.134 1.00 11.10 C ATOM 1988 C PRO A 123 -15.828 18.957 0.910 1.00 22.23 C ATOM 1989 O PRO A 123 -16.477 17.918 1.032 1.00 75.20 O ATOM 1990 CB PRO A 123 -16.522 20.849 2.444 1.00 22.35 C ATOM 1991 CG PRO A 123 -16.015 22.115 1.834 1.00 22.41 C ATOM 1992 CD PRO A 123 -14.489 22.038 1.894 1.00 4.40 C ATOM 0 HA PRO A 123 -15.330 19.069 2.941 1.00 11.10 H new ATOM 0 HB2 PRO A 123 -17.486 20.567 2.021 1.00 22.35 H new ATOM 0 HB3 PRO A 123 -16.665 20.960 3.519 1.00 22.35 H new ATOM 0 HG2 PRO A 123 -16.359 22.216 0.805 1.00 22.41 H new ATOM 0 HG3 PRO A 123 -16.382 22.984 2.380 1.00 22.41 H new ATOM 0 HD2 PRO A 123 -14.029 22.530 1.037 1.00 4.40 H new ATOM 0 HD3 PRO A 123 -14.099 22.525 2.788 1.00 4.40 H new ATOM 2000 N ALA A 124 -15.413 19.417 -0.266 1.00 61.43 N ATOM 2001 CA ALA A 124 -15.709 18.702 -1.501 1.00 54.43 C ATOM 2002 C ALA A 124 -14.835 17.457 -1.618 1.00 24.52 C ATOM 2003 O ALA A 124 -15.256 16.438 -2.166 1.00 33.51 O ATOM 2004 CB ALA A 124 -15.467 19.613 -2.704 1.00 61.51 C ATOM 0 H ALA A 124 -14.875 20.275 -0.389 1.00 61.43 H new ATOM 0 HA ALA A 124 -16.756 18.399 -1.483 1.00 54.43 H new ATOM 0 HB1 ALA A 124 -15.691 19.070 -3.622 1.00 61.51 H new ATOM 0 HB2 ALA A 124 -16.113 20.488 -2.633 1.00 61.51 H new ATOM 0 HB3 ALA A 124 -14.425 19.931 -2.716 1.00 61.51 H new ATOM 2010 N ALA A 125 -13.616 17.549 -1.096 1.00 63.15 N ATOM 2011 CA ALA A 125 -12.687 16.425 -1.143 1.00 32.45 C ATOM 2012 C ALA A 125 -13.193 15.276 -0.279 1.00 51.42 C ATOM 2013 O ALA A 125 -13.132 14.114 -0.676 1.00 53.31 O ATOM 2014 CB ALA A 125 -11.311 16.869 -0.645 1.00 71.13 C ATOM 0 H ALA A 125 -13.250 18.384 -0.639 1.00 63.15 H new ATOM 0 HA ALA A 125 -12.610 16.083 -2.175 1.00 32.45 H new ATOM 0 HB1 ALA A 125 -10.621 16.026 -0.682 1.00 71.13 H new ATOM 0 HB2 ALA A 125 -10.936 17.673 -1.279 1.00 71.13 H new ATOM 0 HB3 ALA A 125 -11.393 17.225 0.382 1.00 71.13 H new ATOM 2020 N THR A 126 -13.703 15.612 0.898 1.00 42.04 N ATOM 2021 CA THR A 126 -14.233 14.604 1.807 1.00 3.13 C ATOM 2022 C THR A 126 -15.578 14.084 1.291 1.00 51.41 C ATOM 2023 O THR A 126 -15.938 12.929 1.517 1.00 54.21 O ATOM 2024 CB THR A 126 -14.387 15.186 3.224 1.00 62.31 C ATOM 2025 OG1 THR A 126 -13.422 16.211 3.414 1.00 4.54 O ATOM 2026 CG2 THR A 126 -14.172 14.085 4.277 1.00 2.32 C ATOM 0 H THR A 126 -13.761 16.569 1.245 1.00 42.04 H new ATOM 0 HA THR A 126 -13.532 13.771 1.853 1.00 3.13 H new ATOM 0 HB THR A 126 -15.392 15.593 3.336 1.00 62.31 H new ATOM 0 HG1 THR A 126 -13.517 16.587 4.314 1.00 4.54 H new ATOM 0 HG21 THR A 126 -14.283 14.509 5.275 1.00 2.32 H new ATOM 0 HG22 THR A 126 -14.910 13.295 4.134 1.00 2.32 H new ATOM 0 HG23 THR A 126 -13.170 13.669 4.169 1.00 2.32 H new ATOM 2034 N ALA A 127 -16.334 14.949 0.622 1.00 65.22 N ATOM 2035 CA ALA A 127 -17.644 14.569 0.104 1.00 34.13 C ATOM 2036 C ALA A 127 -17.545 13.706 -1.151 1.00 11.24 C ATOM 2037 O ALA A 127 -18.182 12.656 -1.235 1.00 55.12 O ATOM 2038 CB ALA A 127 -18.429 15.826 -0.225 1.00 60.02 C ATOM 0 H ALA A 127 -16.064 15.913 0.426 1.00 65.22 H new ATOM 0 HA ALA A 127 -18.145 13.981 0.873 1.00 34.13 H new ATOM 0 HB1 ALA A 127 -19.410 15.551 -0.613 1.00 60.02 H new ATOM 0 HB2 ALA A 127 -18.551 16.426 0.677 1.00 60.02 H new ATOM 0 HB3 ALA A 127 -17.891 16.405 -0.976 1.00 60.02 H new ATOM 2044 N ILE A 128 -16.729 14.127 -2.119 1.00 55.13 N ATOM 2045 CA ILE A 128 -16.563 13.343 -3.327 1.00 51.22 C ATOM 2046 C ILE A 128 -16.095 11.961 -2.902 1.00 20.04 C ATOM 2047 O ILE A 128 -16.540 10.930 -3.409 1.00 2.22 O ATOM 2048 CB ILE A 128 -15.546 14.043 -4.248 1.00 23.31 C ATOM 2049 CG1 ILE A 128 -15.819 13.675 -5.704 1.00 74.21 C ATOM 2050 CG2 ILE A 128 -14.103 13.662 -3.886 1.00 20.33 C ATOM 2051 CD1 ILE A 128 -15.822 12.154 -5.880 1.00 35.30 C ATOM 0 H ILE A 128 -16.186 14.990 -2.086 1.00 55.13 H new ATOM 0 HA ILE A 128 -17.493 13.249 -3.888 1.00 51.22 H new ATOM 0 HB ILE A 128 -15.661 15.118 -4.111 1.00 23.31 H new ATOM 0 HG12 ILE A 128 -16.780 14.085 -6.015 1.00 74.21 H new ATOM 0 HG13 ILE A 128 -15.059 14.120 -6.347 1.00 74.21 H new ATOM 0 HG21 ILE A 128 -13.412 14.174 -4.556 1.00 20.33 H new ATOM 0 HG22 ILE A 128 -13.896 13.957 -2.857 1.00 20.33 H new ATOM 0 HG23 ILE A 128 -13.975 12.584 -3.987 1.00 20.33 H new ATOM 0 HD11 ILE A 128 -16.018 11.909 -6.924 1.00 35.30 H new ATOM 0 HD12 ILE A 128 -14.851 11.752 -5.589 1.00 35.30 H new ATOM 0 HD13 ILE A 128 -16.599 11.717 -5.253 1.00 35.30 H new ATOM 2063 N PHE A 129 -15.208 11.988 -1.927 1.00 13.41 N ATOM 2064 CA PHE A 129 -14.660 10.777 -1.353 1.00 54.25 C ATOM 2065 C PHE A 129 -15.784 9.820 -0.964 1.00 74.13 C ATOM 2066 O PHE A 129 -15.694 8.612 -1.182 1.00 74.52 O ATOM 2067 CB PHE A 129 -13.861 11.115 -0.107 1.00 73.20 C ATOM 2068 CG PHE A 129 -13.276 9.839 0.435 1.00 44.02 C ATOM 2069 CD1 PHE A 129 -14.009 9.065 1.340 1.00 2.04 C ATOM 2070 CD2 PHE A 129 -12.011 9.420 0.018 1.00 32.52 C ATOM 2071 CE1 PHE A 129 -13.475 7.870 1.831 1.00 3.25 C ATOM 2072 CE2 PHE A 129 -11.473 8.225 0.511 1.00 60.31 C ATOM 2073 CZ PHE A 129 -12.207 7.452 1.417 1.00 71.35 C ATOM 0 H PHE A 129 -14.848 12.848 -1.512 1.00 13.41 H new ATOM 0 HA PHE A 129 -14.017 10.305 -2.095 1.00 54.25 H new ATOM 0 HB2 PHE A 129 -13.069 11.826 -0.344 1.00 73.20 H new ATOM 0 HB3 PHE A 129 -14.501 11.587 0.639 1.00 73.20 H new ATOM 0 HD1 PHE A 129 -14.988 9.390 1.660 1.00 2.04 H new ATOM 0 HD2 PHE A 129 -11.448 10.017 -0.684 1.00 32.52 H new ATOM 0 HE1 PHE A 129 -14.041 7.271 2.529 1.00 3.25 H new ATOM 0 HE2 PHE A 129 -10.493 7.901 0.192 1.00 60.31 H new ATOM 0 HZ PHE A 129 -11.793 6.530 1.798 1.00 71.35 H new ATOM 2083 N ARG A 130 -16.836 10.378 -0.368 1.00 22.32 N ATOM 2084 CA ARG A 130 -17.978 9.582 0.074 1.00 74.31 C ATOM 2085 C ARG A 130 -18.795 9.043 -1.102 1.00 62.24 C ATOM 2086 O ARG A 130 -19.284 7.914 -1.056 1.00 75.33 O ATOM 2087 CB ARG A 130 -18.879 10.433 0.977 1.00 71.01 C ATOM 2088 CG ARG A 130 -20.161 9.662 1.307 1.00 0.54 C ATOM 2089 CD ARG A 130 -20.879 10.334 2.480 1.00 74.22 C ATOM 2090 NE ARG A 130 -20.852 11.788 2.329 1.00 34.41 N ATOM 2091 CZ ARG A 130 -19.954 12.547 2.959 1.00 42.40 C ATOM 2092 NH1 ARG A 130 -19.059 12.003 3.740 1.00 72.53 N ATOM 2093 NH2 ARG A 130 -19.970 13.841 2.795 1.00 73.43 N ATOM 0 H ARG A 130 -16.921 11.377 -0.180 1.00 22.32 H new ATOM 0 HA ARG A 130 -17.589 8.726 0.626 1.00 74.31 H new ATOM 0 HB2 ARG A 130 -18.351 10.689 1.896 1.00 71.01 H new ATOM 0 HB3 ARG A 130 -19.126 11.371 0.480 1.00 71.01 H new ATOM 0 HG2 ARG A 130 -20.815 9.634 0.435 1.00 0.54 H new ATOM 0 HG3 ARG A 130 -19.921 8.629 1.558 1.00 0.54 H new ATOM 0 HD2 ARG A 130 -21.911 9.986 2.530 1.00 74.22 H new ATOM 0 HD3 ARG A 130 -20.401 10.050 3.418 1.00 74.22 H new ATOM 0 HE ARG A 130 -21.540 12.235 1.724 1.00 34.41 H new ATOM 0 HH11 ARG A 130 -19.044 10.992 3.871 1.00 72.53 H new ATOM 0 HH12 ARG A 130 -18.375 12.590 4.218 1.00 72.53 H new ATOM 0 HH21 ARG A 130 -20.668 14.269 2.187 1.00 73.43 H new ATOM 0 HH22 ARG A 130 -19.285 14.424 3.275 1.00 73.43 H new ATOM 2107 N LYS A 131 -18.969 9.856 -2.141 1.00 53.31 N ATOM 2108 CA LYS A 131 -19.766 9.438 -3.293 1.00 0.30 C ATOM 2109 C LYS A 131 -19.327 8.071 -3.811 1.00 22.32 C ATOM 2110 O LYS A 131 -20.120 7.130 -3.837 1.00 55.33 O ATOM 2111 CB LYS A 131 -19.637 10.472 -4.413 1.00 73.30 C ATOM 2112 CG LYS A 131 -20.196 11.813 -3.936 1.00 45.43 C ATOM 2113 CD LYS A 131 -20.190 12.811 -5.096 1.00 3.23 C ATOM 2114 CE LYS A 131 -20.610 14.191 -4.584 1.00 41.33 C ATOM 2115 NZ LYS A 131 -19.488 14.795 -3.809 1.00 70.02 N ATOM 0 H LYS A 131 -18.576 10.795 -2.210 1.00 53.31 H new ATOM 0 HA LYS A 131 -20.805 9.363 -2.972 1.00 0.30 H new ATOM 0 HB2 LYS A 131 -18.592 10.583 -4.701 1.00 73.30 H new ATOM 0 HB3 LYS A 131 -20.177 10.135 -5.298 1.00 73.30 H new ATOM 0 HG2 LYS A 131 -21.211 11.683 -3.560 1.00 45.43 H new ATOM 0 HG3 LYS A 131 -19.596 12.196 -3.110 1.00 45.43 H new ATOM 0 HD2 LYS A 131 -19.196 12.863 -5.540 1.00 3.23 H new ATOM 0 HD3 LYS A 131 -20.872 12.479 -5.879 1.00 3.23 H new ATOM 0 HE2 LYS A 131 -20.877 14.836 -5.421 1.00 41.33 H new ATOM 0 HE3 LYS A 131 -21.496 14.103 -3.955 1.00 41.33 H new ATOM 0 HZ1 LYS A 131 -19.753 15.753 -3.504 1.00 70.02 H new ATOM 0 HZ2 LYS A 131 -19.288 14.209 -2.974 1.00 70.02 H new ATOM 0 HZ3 LYS A 131 -18.640 14.845 -4.408 1.00 70.02 H new ATOM 2129 N LEU A 132 -18.069 7.960 -4.221 1.00 1.15 N ATOM 2130 CA LEU A 132 -17.564 6.690 -4.733 1.00 21.42 C ATOM 2131 C LEU A 132 -17.610 5.628 -3.642 1.00 35.51 C ATOM 2132 O LEU A 132 -18.067 4.504 -3.867 1.00 10.52 O ATOM 2133 CB LEU A 132 -16.129 6.852 -5.251 1.00 63.20 C ATOM 2134 CG LEU A 132 -15.262 7.627 -4.226 1.00 22.31 C ATOM 2135 CD1 LEU A 132 -14.246 6.681 -3.577 1.00 35.34 C ATOM 2136 CD2 LEU A 132 -14.508 8.761 -4.934 1.00 60.02 C ATOM 0 H LEU A 132 -17.389 8.720 -4.210 1.00 1.15 H new ATOM 0 HA LEU A 132 -18.199 6.374 -5.561 1.00 21.42 H new ATOM 0 HB2 LEU A 132 -15.691 5.871 -5.438 1.00 63.20 H new ATOM 0 HB3 LEU A 132 -16.138 7.383 -6.203 1.00 63.20 H new ATOM 0 HG LEU A 132 -15.915 8.042 -3.459 1.00 22.31 H new ATOM 0 HD11 LEU A 132 -13.641 7.234 -2.858 1.00 35.34 H new ATOM 0 HD12 LEU A 132 -14.774 5.877 -3.064 1.00 35.34 H new ATOM 0 HD13 LEU A 132 -13.599 6.258 -4.346 1.00 35.34 H new ATOM 0 HD21 LEU A 132 -13.900 9.302 -4.209 1.00 60.02 H new ATOM 0 HD22 LEU A 132 -13.864 8.342 -5.707 1.00 60.02 H new ATOM 0 HD23 LEU A 132 -15.224 9.445 -5.390 1.00 60.02 H new ATOM 2148 N ALA A 133 -17.144 5.989 -2.454 1.00 22.32 N ATOM 2149 CA ALA A 133 -17.148 5.055 -1.341 1.00 1.31 C ATOM 2150 C ALA A 133 -18.547 4.495 -1.132 1.00 12.12 C ATOM 2151 O ALA A 133 -18.711 3.315 -0.818 1.00 70.21 O ATOM 2152 CB ALA A 133 -16.680 5.746 -0.067 1.00 51.15 C ATOM 0 H ALA A 133 -16.763 6.911 -2.239 1.00 22.32 H new ATOM 0 HA ALA A 133 -16.465 4.238 -1.574 1.00 1.31 H new ATOM 0 HB1 ALA A 133 -16.689 5.033 0.758 1.00 51.15 H new ATOM 0 HB2 ALA A 133 -15.668 6.124 -0.209 1.00 51.15 H new ATOM 0 HB3 ALA A 133 -17.348 6.576 0.164 1.00 51.15 H new ATOM 2158 N GLY A 134 -19.562 5.335 -1.328 1.00 74.41 N ATOM 2159 CA GLY A 134 -20.937 4.887 -1.176 1.00 60.30 C ATOM 2160 C GLY A 134 -21.246 3.843 -2.233 1.00 32.05 C ATOM 2161 O GLY A 134 -21.932 2.854 -1.970 1.00 34.25 O ATOM 0 H GLY A 134 -19.457 6.316 -1.589 1.00 74.41 H new ATOM 0 HA2 GLY A 134 -21.087 4.468 -0.181 1.00 60.30 H new ATOM 0 HA3 GLY A 134 -21.619 5.732 -1.273 1.00 60.30 H new ATOM 2165 N GLU A 135 -20.712 4.063 -3.430 1.00 35.20 N ATOM 2166 CA GLU A 135 -20.910 3.129 -4.524 1.00 1.00 C ATOM 2167 C GLU A 135 -20.314 1.781 -4.146 1.00 44.10 C ATOM 2168 O GLU A 135 -20.628 0.757 -4.752 1.00 3.04 O ATOM 2169 CB GLU A 135 -20.243 3.654 -5.797 1.00 54.22 C ATOM 2170 CG GLU A 135 -20.739 2.855 -7.003 1.00 44.15 C ATOM 2171 CD GLU A 135 -20.048 3.343 -8.271 1.00 12.12 C ATOM 2172 OE1 GLU A 135 -19.218 4.230 -8.167 1.00 21.12 O ATOM 2173 OE2 GLU A 135 -20.359 2.821 -9.330 1.00 52.33 O ATOM 0 H GLU A 135 -20.142 4.876 -3.663 1.00 35.20 H new ATOM 0 HA GLU A 135 -21.978 3.018 -4.712 1.00 1.00 H new ATOM 0 HB2 GLU A 135 -20.471 4.711 -5.930 1.00 54.22 H new ATOM 0 HB3 GLU A 135 -19.159 3.570 -5.713 1.00 54.22 H new ATOM 0 HG2 GLU A 135 -20.538 1.794 -6.855 1.00 44.15 H new ATOM 0 HG3 GLU A 135 -21.819 2.964 -7.103 1.00 44.15 H new ATOM 2180 N ARG A 136 -19.459 1.790 -3.122 1.00 13.41 N ATOM 2181 CA ARG A 136 -18.827 0.563 -2.641 1.00 71.42 C ATOM 2182 C ARG A 136 -19.532 0.075 -1.376 1.00 10.43 C ATOM 2183 O ARG A 136 -19.072 -0.858 -0.718 1.00 13.02 O ATOM 2184 CB ARG A 136 -17.350 0.820 -2.338 1.00 10.13 C ATOM 2185 CG ARG A 136 -16.667 1.398 -3.580 1.00 20.53 C ATOM 2186 CD ARG A 136 -15.149 1.361 -3.395 1.00 21.34 C ATOM 2187 NE ARG A 136 -14.650 0.004 -3.591 1.00 13.15 N ATOM 2188 CZ ARG A 136 -14.560 -0.526 -4.806 1.00 61.11 C ATOM 2189 NH1 ARG A 136 -14.919 0.170 -5.850 1.00 43.34 N ATOM 2190 NH2 ARG A 136 -14.112 -1.743 -4.956 1.00 30.20 N ATOM 0 H ARG A 136 -19.190 2.631 -2.612 1.00 13.41 H new ATOM 0 HA ARG A 136 -18.907 -0.201 -3.414 1.00 71.42 H new ATOM 0 HB2 ARG A 136 -17.255 1.513 -1.502 1.00 10.13 H new ATOM 0 HB3 ARG A 136 -16.862 -0.108 -2.040 1.00 10.13 H new ATOM 0 HG2 ARG A 136 -16.950 0.825 -4.463 1.00 20.53 H new ATOM 0 HG3 ARG A 136 -16.998 2.423 -3.746 1.00 20.53 H new ATOM 0 HD2 ARG A 136 -14.672 2.037 -4.104 1.00 21.34 H new ATOM 0 HD3 ARG A 136 -14.888 1.711 -2.396 1.00 21.34 H new ATOM 0 HE ARG A 136 -14.365 -0.547 -2.781 1.00 13.15 H new ATOM 0 HH11 ARG A 136 -15.269 1.121 -5.733 1.00 43.34 H new ATOM 0 HH12 ARG A 136 -14.850 -0.237 -6.783 1.00 43.34 H new ATOM 0 HH21 ARG A 136 -13.831 -2.287 -4.140 1.00 30.20 H new ATOM 0 HH22 ARG A 136 -14.043 -2.150 -5.889 1.00 30.20 H new ATOM 2204 N ASN A 137 -20.660 0.708 -1.058 1.00 22.44 N ATOM 2205 CA ASN A 137 -21.445 0.328 0.114 1.00 43.04 C ATOM 2206 C ASN A 137 -20.599 0.332 1.380 1.00 65.41 C ATOM 2207 O ASN A 137 -20.756 -0.528 2.247 1.00 70.42 O ATOM 2208 CB ASN A 137 -21.983 -1.068 -0.089 1.00 74.52 C ATOM 2209 CG ASN A 137 -22.759 -1.152 -1.399 1.00 13.34 C ATOM 2210 OD1 ASN A 137 -22.461 -1.995 -2.246 1.00 22.05 O ATOM 2211 ND2 ASN A 137 -23.742 -0.323 -1.618 1.00 54.24 N ATOM 0 H ASN A 137 -21.049 1.484 -1.594 1.00 22.44 H new ATOM 0 HA ASN A 137 -22.251 1.052 0.229 1.00 43.04 H new ATOM 0 HB2 ASN A 137 -21.161 -1.784 -0.099 1.00 74.52 H new ATOM 0 HB3 ASN A 137 -22.632 -1.339 0.744 1.00 74.52 H new ATOM 0 HD21 ASN A 137 -24.266 -0.372 -2.492 1.00 54.24 H new ATOM 0 HD22 ASN A 137 -23.987 0.374 -0.915 1.00 54.24 H new ATOM 2218 N TYR A 138 -19.714 1.302 1.486 1.00 42.33 N ATOM 2219 CA TYR A 138 -18.851 1.417 2.662 1.00 30.14 C ATOM 2220 C TYR A 138 -19.575 2.163 3.789 1.00 24.33 C ATOM 2221 O TYR A 138 -20.621 2.771 3.567 1.00 2.51 O ATOM 2222 CB TYR A 138 -17.561 2.159 2.283 1.00 0.24 C ATOM 2223 CG TYR A 138 -17.751 3.649 2.465 1.00 13.53 C ATOM 2224 CD1 TYR A 138 -18.917 4.269 1.995 1.00 30.15 C ATOM 2225 CD2 TYR A 138 -16.772 4.404 3.115 1.00 52.31 C ATOM 2226 CE1 TYR A 138 -19.099 5.645 2.176 1.00 15.32 C ATOM 2227 CE2 TYR A 138 -16.955 5.777 3.291 1.00 51.14 C ATOM 2228 CZ TYR A 138 -18.117 6.399 2.824 1.00 1.13 C ATOM 2229 OH TYR A 138 -18.293 7.756 3.005 1.00 0.33 O ATOM 0 H TYR A 138 -19.568 2.023 0.780 1.00 42.33 H new ATOM 0 HA TYR A 138 -18.602 0.417 3.016 1.00 30.14 H new ATOM 0 HB2 TYR A 138 -16.735 1.811 2.903 1.00 0.24 H new ATOM 0 HB3 TYR A 138 -17.296 1.941 1.248 1.00 0.24 H new ATOM 0 HD1 TYR A 138 -19.675 3.685 1.493 1.00 30.15 H new ATOM 0 HD2 TYR A 138 -15.875 3.927 3.481 1.00 52.31 H new ATOM 0 HE1 TYR A 138 -19.997 6.123 1.815 1.00 15.32 H new ATOM 0 HE2 TYR A 138 -16.196 6.361 3.790 1.00 51.14 H new ATOM 0 HH TYR A 138 -17.516 8.127 3.474 1.00 0.33 H new ATOM 2239 N THR A 139 -19.000 2.125 4.994 1.00 50.00 N ATOM 2240 CA THR A 139 -19.588 2.819 6.147 1.00 34.14 C ATOM 2241 C THR A 139 -18.590 3.831 6.721 1.00 42.01 C ATOM 2242 O THR A 139 -17.383 3.697 6.540 1.00 15.42 O ATOM 2243 CB THR A 139 -19.982 1.805 7.240 1.00 60.30 C ATOM 2244 OG1 THR A 139 -19.002 1.810 8.270 1.00 62.35 O ATOM 2245 CG2 THR A 139 -20.083 0.393 6.646 1.00 3.22 C ATOM 0 H THR A 139 -18.134 1.625 5.198 1.00 50.00 H new ATOM 0 HA THR A 139 -20.481 3.346 5.812 1.00 34.14 H new ATOM 0 HB THR A 139 -20.951 2.090 7.649 1.00 60.30 H new ATOM 0 HG1 THR A 139 -19.254 1.166 8.965 1.00 62.35 H new ATOM 0 HG21 THR A 139 -20.362 -0.312 7.429 1.00 3.22 H new ATOM 0 HG22 THR A 139 -20.839 0.382 5.861 1.00 3.22 H new ATOM 0 HG23 THR A 139 -19.119 0.106 6.225 1.00 3.22 H new ATOM 2253 N ASP A 140 -19.095 4.868 7.377 1.00 40.41 N ATOM 2254 CA ASP A 140 -18.217 5.901 7.920 1.00 14.13 C ATOM 2255 C ASP A 140 -17.013 5.295 8.642 1.00 14.22 C ATOM 2256 O ASP A 140 -15.876 5.679 8.376 1.00 11.03 O ATOM 2257 CB ASP A 140 -18.997 6.790 8.890 1.00 54.23 C ATOM 2258 CG ASP A 140 -20.049 7.592 8.130 1.00 51.04 C ATOM 2259 OD1 ASP A 140 -19.889 7.755 6.932 1.00 5.21 O ATOM 2260 OD2 ASP A 140 -20.999 8.030 8.758 1.00 15.14 O ATOM 0 H ASP A 140 -20.090 5.017 7.545 1.00 40.41 H new ATOM 0 HA ASP A 140 -17.849 6.496 7.084 1.00 14.13 H new ATOM 0 HB2 ASP A 140 -19.476 6.177 9.653 1.00 54.23 H new ATOM 0 HB3 ASP A 140 -18.315 7.466 9.406 1.00 54.23 H new ATOM 2265 N GLU A 141 -17.250 4.369 9.565 1.00 33.12 N ATOM 2266 CA GLU A 141 -16.147 3.765 10.306 1.00 72.05 C ATOM 2267 C GLU A 141 -15.102 3.180 9.360 1.00 22.20 C ATOM 2268 O GLU A 141 -13.960 2.944 9.756 1.00 54.41 O ATOM 2269 CB GLU A 141 -16.679 2.661 11.223 1.00 44.22 C ATOM 2270 CG GLU A 141 -17.571 3.280 12.302 1.00 43.34 C ATOM 2271 CD GLU A 141 -18.000 2.210 13.300 1.00 64.11 C ATOM 2272 OE1 GLU A 141 -17.600 1.071 13.126 1.00 23.12 O ATOM 2273 OE2 GLU A 141 -18.721 2.546 14.225 1.00 33.43 O ATOM 0 H GLU A 141 -18.177 4.025 9.815 1.00 33.12 H new ATOM 0 HA GLU A 141 -15.674 4.545 10.903 1.00 72.05 H new ATOM 0 HB2 GLU A 141 -17.245 1.932 10.642 1.00 44.22 H new ATOM 0 HB3 GLU A 141 -15.849 2.126 11.685 1.00 44.22 H new ATOM 0 HG2 GLU A 141 -17.033 4.076 12.818 1.00 43.34 H new ATOM 0 HG3 GLU A 141 -18.449 3.734 11.843 1.00 43.34 H new ATOM 2280 N MET A 142 -15.496 2.937 8.116 1.00 62.22 N ATOM 2281 CA MET A 142 -14.577 2.366 7.138 1.00 23.02 C ATOM 2282 C MET A 142 -13.606 3.417 6.626 1.00 24.22 C ATOM 2283 O MET A 142 -12.576 3.083 6.051 1.00 74.13 O ATOM 2284 CB MET A 142 -15.356 1.784 5.965 1.00 34.54 C ATOM 2285 CG MET A 142 -16.482 0.887 6.493 1.00 74.15 C ATOM 2286 SD MET A 142 -16.805 -0.435 5.301 1.00 71.42 S ATOM 2287 CE MET A 142 -15.200 -1.256 5.451 1.00 54.20 C ATOM 0 H MET A 142 -16.434 3.124 7.763 1.00 62.22 H new ATOM 0 HA MET A 142 -14.010 1.575 7.630 1.00 23.02 H new ATOM 0 HB2 MET A 142 -15.772 2.587 5.356 1.00 34.54 H new ATOM 0 HB3 MET A 142 -14.690 1.209 5.322 1.00 34.54 H new ATOM 0 HG2 MET A 142 -16.202 0.462 7.457 1.00 74.15 H new ATOM 0 HG3 MET A 142 -17.385 1.475 6.654 1.00 74.15 H new ATOM 0 HE1 MET A 142 -15.336 -2.335 5.383 1.00 54.20 H new ATOM 0 HE2 MET A 142 -14.544 -0.921 4.648 1.00 54.20 H new ATOM 0 HE3 MET A 142 -14.752 -1.007 6.413 1.00 54.20 H new ATOM 2297 N VAL A 143 -13.931 4.680 6.865 1.00 34.03 N ATOM 2298 CA VAL A 143 -13.061 5.791 6.449 1.00 3.01 C ATOM 2299 C VAL A 143 -12.749 6.689 7.638 1.00 24.33 C ATOM 2300 O VAL A 143 -13.653 7.120 8.354 1.00 31.23 O ATOM 2301 CB VAL A 143 -13.715 6.623 5.331 1.00 62.14 C ATOM 2302 CG1 VAL A 143 -14.924 7.401 5.876 1.00 51.21 C ATOM 2303 CG2 VAL A 143 -12.684 7.615 4.758 1.00 74.23 C ATOM 0 H VAL A 143 -14.785 4.969 7.342 1.00 34.03 H new ATOM 0 HA VAL A 143 -12.135 5.363 6.064 1.00 3.01 H new ATOM 0 HB VAL A 143 -14.056 5.948 4.546 1.00 62.14 H new ATOM 0 HG11 VAL A 143 -15.374 7.984 5.072 1.00 51.21 H new ATOM 0 HG12 VAL A 143 -15.659 6.700 6.272 1.00 51.21 H new ATOM 0 HG13 VAL A 143 -14.597 8.071 6.671 1.00 51.21 H new ATOM 0 HG21 VAL A 143 -13.147 8.204 3.966 1.00 74.23 H new ATOM 0 HG22 VAL A 143 -12.339 8.279 5.550 1.00 74.23 H new ATOM 0 HG23 VAL A 143 -11.836 7.064 4.352 1.00 74.23 H new ATOM 2313 N ALA A 144 -11.461 6.949 7.867 1.00 50.10 N ATOM 2314 CA ALA A 144 -11.060 7.792 9.004 1.00 61.10 C ATOM 2315 C ALA A 144 -10.272 9.032 8.556 1.00 63.34 C ATOM 2316 O ALA A 144 -9.220 8.923 7.916 1.00 73.51 O ATOM 2317 CB ALA A 144 -10.220 6.963 9.987 1.00 1.35 C ATOM 0 H ALA A 144 -10.690 6.599 7.298 1.00 50.10 H new ATOM 0 HA ALA A 144 -11.968 8.144 9.494 1.00 61.10 H new ATOM 0 HB1 ALA A 144 -9.923 7.588 10.829 1.00 1.35 H new ATOM 0 HB2 ALA A 144 -10.810 6.121 10.350 1.00 1.35 H new ATOM 0 HB3 ALA A 144 -9.330 6.590 9.480 1.00 1.35 H new ATOM 2323 N MET A 145 -10.811 10.211 8.908 1.00 5.25 N ATOM 2324 CA MET A 145 -10.224 11.481 8.592 1.00 54.31 C ATOM 2325 C MET A 145 -9.204 11.843 9.681 1.00 61.24 C ATOM 2326 O MET A 145 -9.364 11.449 10.837 1.00 14.51 O ATOM 2327 CB MET A 145 -11.395 12.476 8.500 1.00 10.52 C ATOM 2328 CG MET A 145 -10.946 13.909 8.771 1.00 52.54 C ATOM 2329 SD MET A 145 -11.449 14.990 7.402 1.00 52.11 S ATOM 2330 CE MET A 145 -10.600 14.105 6.066 1.00 14.23 C ATOM 0 H MET A 145 -11.684 10.287 9.430 1.00 5.25 H new ATOM 0 HA MET A 145 -9.676 11.485 7.650 1.00 54.31 H new ATOM 0 HB2 MET A 145 -11.844 12.418 7.509 1.00 10.52 H new ATOM 0 HB3 MET A 145 -12.167 12.196 9.217 1.00 10.52 H new ATOM 0 HG2 MET A 145 -11.382 14.265 9.704 1.00 52.54 H new ATOM 0 HG3 MET A 145 -9.863 13.942 8.892 1.00 52.54 H new ATOM 0 HE1 MET A 145 -10.317 14.810 5.285 1.00 14.23 H new ATOM 0 HE2 MET A 145 -9.706 13.622 6.460 1.00 14.23 H new ATOM 0 HE3 MET A 145 -11.266 13.350 5.649 1.00 14.23 H new ATOM 2340 N LEU A 146 -8.139 12.567 9.300 1.00 73.10 N ATOM 2341 CA LEU A 146 -7.081 12.938 10.253 1.00 72.43 C ATOM 2342 C LEU A 146 -6.935 14.460 10.425 1.00 21.12 C ATOM 2343 O LEU A 146 -7.106 15.225 9.478 1.00 51.00 O ATOM 2344 CB LEU A 146 -5.740 12.340 9.798 1.00 14.35 C ATOM 2345 CG LEU A 146 -5.489 11.020 10.539 1.00 51.13 C ATOM 2346 CD1 LEU A 146 -6.685 10.097 10.361 1.00 53.34 C ATOM 2347 CD2 LEU A 146 -4.225 10.340 10.003 1.00 65.41 C ATOM 0 H LEU A 146 -7.988 12.904 8.349 1.00 73.10 H new ATOM 0 HA LEU A 146 -7.370 12.532 11.222 1.00 72.43 H new ATOM 0 HB2 LEU A 146 -5.753 12.168 8.722 1.00 14.35 H new ATOM 0 HB3 LEU A 146 -4.930 13.042 9.999 1.00 14.35 H new ATOM 0 HG LEU A 146 -5.350 11.232 11.599 1.00 51.13 H new ATOM 0 HD11 LEU A 146 -6.504 9.161 10.888 1.00 53.34 H new ATOM 0 HD12 LEU A 146 -7.577 10.575 10.766 1.00 53.34 H new ATOM 0 HD13 LEU A 146 -6.833 9.893 9.300 1.00 53.34 H new ATOM 0 HD21 LEU A 146 -4.060 9.405 10.538 1.00 65.41 H new ATOM 0 HD22 LEU A 146 -4.346 10.133 8.940 1.00 65.41 H new ATOM 0 HD23 LEU A 146 -3.368 10.998 10.149 1.00 65.41 H new ATOM 2359 N PRO A 147 -6.613 14.892 11.631 1.00 43.31 N ATOM 2360 CA PRO A 147 -6.424 16.343 11.977 1.00 22.33 C ATOM 2361 C PRO A 147 -5.112 16.908 11.426 1.00 64.42 C ATOM 2362 O PRO A 147 -4.133 16.182 11.273 1.00 52.10 O ATOM 2363 CB PRO A 147 -6.380 16.317 13.509 1.00 61.44 C ATOM 2364 CG PRO A 147 -5.776 14.992 13.822 1.00 55.51 C ATOM 2365 CD PRO A 147 -6.383 14.036 12.812 1.00 41.15 C ATOM 0 HA PRO A 147 -7.206 16.974 11.555 1.00 22.33 H new ATOM 0 HB2 PRO A 147 -5.779 17.135 13.906 1.00 61.44 H new ATOM 0 HB3 PRO A 147 -7.376 16.415 13.940 1.00 61.44 H new ATOM 0 HG2 PRO A 147 -4.690 15.022 13.734 1.00 55.51 H new ATOM 0 HG3 PRO A 147 -6.004 14.685 14.843 1.00 55.51 H new ATOM 0 HD2 PRO A 147 -5.710 13.210 12.585 1.00 41.15 H new ATOM 0 HD3 PRO A 147 -7.312 13.599 13.179 1.00 41.15 H new ATOM 2373 N ARG A 148 -5.098 18.209 11.142 1.00 24.45 N ATOM 2374 CA ARG A 148 -3.899 18.861 10.615 1.00 40.13 C ATOM 2375 C ARG A 148 -2.713 18.691 11.563 1.00 1.43 C ATOM 2376 O ARG A 148 -1.569 18.941 11.185 1.00 11.51 O ATOM 2377 CB ARG A 148 -4.172 20.353 10.409 1.00 12.42 C ATOM 2378 CG ARG A 148 -5.362 20.529 9.465 1.00 5.50 C ATOM 2379 CD ARG A 148 -5.580 22.017 9.191 1.00 73.34 C ATOM 2380 NE ARG A 148 -5.727 22.745 10.445 1.00 41.10 N ATOM 2381 CZ ARG A 148 -6.823 22.622 11.188 1.00 22.24 C ATOM 2382 NH1 ARG A 148 -7.791 21.838 10.798 1.00 43.03 N ATOM 2383 NH2 ARG A 148 -6.930 23.283 12.308 1.00 2.03 N ATOM 0 H ARG A 148 -5.898 18.830 11.267 1.00 24.45 H new ATOM 0 HA ARG A 148 -3.650 18.391 9.664 1.00 40.13 H new ATOM 0 HB2 ARG A 148 -4.380 20.831 11.366 1.00 12.42 H new ATOM 0 HB3 ARG A 148 -3.290 20.841 9.994 1.00 12.42 H new ATOM 0 HG2 ARG A 148 -5.180 19.999 8.530 1.00 5.50 H new ATOM 0 HG3 ARG A 148 -6.258 20.095 9.908 1.00 5.50 H new ATOM 0 HD2 ARG A 148 -4.738 22.417 8.627 1.00 73.34 H new ATOM 0 HD3 ARG A 148 -6.470 22.154 8.576 1.00 73.34 H new ATOM 0 HE ARG A 148 -4.976 23.360 10.758 1.00 41.10 H new ATOM 0 HH11 ARG A 148 -7.707 21.320 9.923 1.00 43.03 H new ATOM 0 HH12 ARG A 148 -8.632 21.744 11.368 1.00 43.03 H new ATOM 0 HH21 ARG A 148 -6.173 23.894 12.614 1.00 2.03 H new ATOM 0 HH22 ARG A 148 -7.771 23.188 12.878 1.00 2.03 H new ATOM 2397 N GLN A 149 -2.988 18.268 12.792 1.00 52.04 N ATOM 2398 CA GLN A 149 -1.925 18.074 13.774 1.00 51.24 C ATOM 2399 C GLN A 149 -0.757 17.304 13.159 1.00 22.35 C ATOM 2400 O GLN A 149 -0.956 16.311 12.460 1.00 42.24 O ATOM 2401 CB GLN A 149 -2.466 17.311 14.984 1.00 64.14 C ATOM 2402 CG GLN A 149 -3.410 18.216 15.778 1.00 54.21 C ATOM 2403 CD GLN A 149 -4.013 17.442 16.946 1.00 0.01 C ATOM 2404 OE1 GLN A 149 -4.034 16.211 16.931 1.00 53.34 O ATOM 2405 NE2 GLN A 149 -4.507 18.094 17.964 1.00 65.01 N ATOM 0 H GLN A 149 -3.926 18.055 13.130 1.00 52.04 H new ATOM 0 HA GLN A 149 -1.568 19.053 14.093 1.00 51.24 H new ATOM 0 HB2 GLN A 149 -2.994 16.415 14.656 1.00 64.14 H new ATOM 0 HB3 GLN A 149 -1.642 16.982 15.618 1.00 64.14 H new ATOM 0 HG2 GLN A 149 -2.868 19.086 16.148 1.00 54.21 H new ATOM 0 HG3 GLN A 149 -4.203 18.588 15.129 1.00 54.21 H new ATOM 0 HE21 GLN A 149 -4.488 19.114 17.974 1.00 65.01 H new ATOM 0 HE22 GLN A 149 -4.911 17.583 18.749 1.00 65.01 H new ATOM 2414 N GLU A 150 0.462 17.779 13.416 1.00 14.32 N ATOM 2415 CA GLU A 150 1.664 17.139 12.876 1.00 22.54 C ATOM 2416 C GLU A 150 2.742 17.001 13.949 1.00 35.50 C ATOM 2417 O GLU A 150 2.903 17.877 14.799 1.00 24.24 O ATOM 2418 CB GLU A 150 2.212 17.975 11.717 1.00 54.11 C ATOM 2419 CG GLU A 150 2.414 19.420 12.180 1.00 42.13 C ATOM 2420 CD GLU A 150 2.871 20.283 11.009 1.00 70.14 C ATOM 2421 OE1 GLU A 150 3.272 19.720 10.004 1.00 41.35 O ATOM 2422 OE2 GLU A 150 2.812 21.496 11.134 1.00 23.40 O ATOM 0 H GLU A 150 0.644 18.601 13.992 1.00 14.32 H new ATOM 0 HA GLU A 150 1.393 16.143 12.526 1.00 22.54 H new ATOM 0 HB2 GLU A 150 3.157 17.558 11.369 1.00 54.11 H new ATOM 0 HB3 GLU A 150 1.521 17.945 10.875 1.00 54.11 H new ATOM 0 HG2 GLU A 150 1.484 19.813 12.591 1.00 42.13 H new ATOM 0 HG3 GLU A 150 3.155 19.455 12.979 1.00 42.13 H new ATOM 2429 N GLU A 151 3.500 15.906 13.878 1.00 13.22 N ATOM 2430 CA GLU A 151 4.594 15.663 14.818 1.00 5.20 C ATOM 2431 C GLU A 151 5.882 15.447 14.032 1.00 62.25 C ATOM 2432 O GLU A 151 6.980 15.731 14.512 1.00 35.11 O ATOM 2433 CB GLU A 151 4.299 14.433 15.685 1.00 73.21 C ATOM 2434 CG GLU A 151 2.826 14.438 16.103 1.00 32.44 C ATOM 2435 CD GLU A 151 2.514 15.700 16.901 1.00 42.03 C ATOM 2436 OE1 GLU A 151 3.443 16.287 17.431 1.00 62.45 O ATOM 2437 OE2 GLU A 151 1.351 16.062 16.969 1.00 21.23 O ATOM 0 H GLU A 151 3.376 15.173 13.179 1.00 13.22 H new ATOM 0 HA GLU A 151 4.700 16.526 15.476 1.00 5.20 H new ATOM 0 HB2 GLU A 151 4.527 13.522 15.131 1.00 73.21 H new ATOM 0 HB3 GLU A 151 4.938 14.437 16.568 1.00 73.21 H new ATOM 0 HG2 GLU A 151 2.189 14.389 15.220 1.00 32.44 H new ATOM 0 HG3 GLU A 151 2.607 13.555 16.703 1.00 32.44 H new ATOM 2444 N CYS A 152 5.723 14.953 12.806 1.00 3.20 N ATOM 2445 CA CYS A 152 6.852 14.702 11.914 1.00 62.35 C ATOM 2446 C CYS A 152 6.506 15.180 10.508 1.00 44.42 C ATOM 2447 O CYS A 152 5.334 15.338 10.171 1.00 52.44 O ATOM 2448 CB CYS A 152 7.178 13.209 11.872 1.00 21.15 C ATOM 2449 SG CYS A 152 7.863 12.689 13.464 1.00 44.34 S ATOM 0 H CYS A 152 4.815 14.717 12.405 1.00 3.20 H new ATOM 0 HA CYS A 152 7.720 15.244 12.288 1.00 62.35 H new ATOM 0 HB2 CYS A 152 6.278 12.637 11.648 1.00 21.15 H new ATOM 0 HB3 CYS A 152 7.892 13.005 11.074 1.00 21.15 H new ATOM 2454 N THR A 153 7.529 15.410 9.693 1.00 64.12 N ATOM 2455 CA THR A 153 7.316 15.874 8.324 1.00 72.34 C ATOM 2456 C THR A 153 8.499 15.481 7.442 1.00 62.12 C ATOM 2457 O THR A 153 9.578 15.167 7.946 1.00 12.01 O ATOM 2458 CB THR A 153 7.123 17.395 8.309 1.00 53.15 C ATOM 2459 OG1 THR A 153 8.210 18.013 8.985 1.00 44.01 O ATOM 2460 CG2 THR A 153 5.807 17.759 9.011 1.00 12.22 C ATOM 0 H THR A 153 8.508 15.285 9.952 1.00 64.12 H new ATOM 0 HA THR A 153 6.417 15.402 7.928 1.00 72.34 H new ATOM 0 HB THR A 153 7.086 17.745 7.277 1.00 53.15 H new ATOM 0 HG1 THR A 153 8.091 18.986 8.976 1.00 44.01 H new ATOM 0 HG21 THR A 153 5.675 18.841 8.998 1.00 12.22 H new ATOM 0 HG22 THR A 153 4.974 17.285 8.491 1.00 12.22 H new ATOM 0 HG23 THR A 153 5.837 17.410 10.043 1.00 12.22 H new ATOM 2468 N VAL A 154 8.299 15.505 6.126 1.00 51.52 N ATOM 2469 CA VAL A 154 9.349 15.159 5.198 1.00 60.43 C ATOM 2470 C VAL A 154 10.354 16.293 5.099 1.00 12.12 C ATOM 2471 O VAL A 154 10.059 17.436 5.446 1.00 35.22 O ATOM 2472 CB VAL A 154 8.758 14.899 3.810 1.00 1.14 C ATOM 2473 CG1 VAL A 154 7.555 13.957 3.906 1.00 44.43 C ATOM 2474 CG2 VAL A 154 8.327 16.230 3.176 1.00 71.22 C ATOM 0 H VAL A 154 7.415 15.762 5.687 1.00 51.52 H new ATOM 0 HA VAL A 154 9.847 14.259 5.560 1.00 60.43 H new ATOM 0 HB VAL A 154 9.519 14.428 3.187 1.00 1.14 H new ATOM 0 HG11 VAL A 154 7.148 13.784 2.910 1.00 44.43 H new ATOM 0 HG12 VAL A 154 7.870 13.008 4.339 1.00 44.43 H new ATOM 0 HG13 VAL A 154 6.789 14.408 4.537 1.00 44.43 H new ATOM 0 HG21 VAL A 154 7.907 16.043 2.188 1.00 71.22 H new ATOM 0 HG22 VAL A 154 7.576 16.707 3.806 1.00 71.22 H new ATOM 0 HG23 VAL A 154 9.192 16.886 3.084 1.00 71.22 H new ATOM 2484 N ASP A 155 11.530 15.969 4.601 1.00 24.30 N ATOM 2485 CA ASP A 155 12.575 16.967 4.427 1.00 21.03 C ATOM 2486 C ASP A 155 12.429 17.651 3.084 1.00 14.50 C ATOM 2487 O ASP A 155 11.708 17.192 2.199 1.00 4.23 O ATOM 2488 CB ASP A 155 13.964 16.346 4.522 1.00 61.34 C ATOM 2489 CG ASP A 155 15.034 17.376 4.174 1.00 71.00 C ATOM 2490 OD1 ASP A 155 15.119 18.373 4.873 1.00 62.01 O ATOM 2491 OD2 ASP A 155 15.752 17.155 3.213 1.00 31.41 O ATOM 0 H ASP A 155 11.789 15.027 4.309 1.00 24.30 H new ATOM 0 HA ASP A 155 12.465 17.697 5.229 1.00 21.03 H new ATOM 0 HB2 ASP A 155 14.131 15.966 5.530 1.00 61.34 H new ATOM 0 HB3 ASP A 155 14.036 15.495 3.844 1.00 61.34 H new ATOM 2496 N GLU A 156 13.128 18.753 2.960 1.00 2.41 N ATOM 2497 CA GLU A 156 13.109 19.543 1.734 1.00 53.24 C ATOM 2498 C GLU A 156 13.581 18.704 0.550 1.00 51.24 C ATOM 2499 O GLU A 156 13.303 19.030 -0.603 1.00 33.03 O ATOM 2500 CB GLU A 156 14.012 20.768 1.888 1.00 2.32 C ATOM 2501 CG GLU A 156 15.466 20.317 2.045 1.00 20.22 C ATOM 2502 CD GLU A 156 16.338 21.501 2.449 1.00 12.41 C ATOM 2503 OE1 GLU A 156 15.829 22.610 2.460 1.00 14.01 O ATOM 2504 OE2 GLU A 156 17.502 21.282 2.741 1.00 74.02 O ATOM 0 H GLU A 156 13.725 19.133 3.695 1.00 2.41 H new ATOM 0 HA GLU A 156 12.086 19.869 1.549 1.00 53.24 H new ATOM 0 HB2 GLU A 156 13.914 21.417 1.017 1.00 2.32 H new ATOM 0 HB3 GLU A 156 13.706 21.351 2.756 1.00 2.32 H new ATOM 0 HG2 GLU A 156 15.533 19.532 2.798 1.00 20.22 H new ATOM 0 HG3 GLU A 156 15.827 19.892 1.108 1.00 20.22 H new ATOM 2511 N VAL A 157 14.297 17.623 0.845 1.00 61.44 N ATOM 2512 CA VAL A 157 14.804 16.745 -0.202 1.00 35.44 C ATOM 2513 C VAL A 157 15.128 15.366 0.365 1.00 20.22 C ATOM 2514 O VAL A 157 15.424 15.288 1.546 1.00 63.22 O ATOM 2515 CB VAL A 157 16.063 17.349 -0.828 1.00 74.44 C ATOM 2516 CG1 VAL A 157 17.188 17.371 0.209 1.00 13.45 C ATOM 2517 CG2 VAL A 157 16.492 16.502 -2.027 1.00 24.25 C ATOM 2518 OXT VAL A 157 15.074 14.409 -0.390 1.00 63.22 O ATOM 0 H VAL A 157 14.537 17.336 1.794 1.00 61.44 H new ATOM 0 HA VAL A 157 14.033 16.640 -0.966 1.00 35.44 H new ATOM 0 HB VAL A 157 15.853 18.366 -1.158 1.00 74.44 H new ATOM 0 HG11 VAL A 157 18.085 17.801 -0.236 1.00 13.45 H new ATOM 0 HG12 VAL A 157 16.883 17.974 1.064 1.00 13.45 H new ATOM 0 HG13 VAL A 157 17.399 16.354 0.539 1.00 13.45 H new ATOM 0 HG21 VAL A 157 17.389 16.931 -2.474 1.00 24.25 H new ATOM 0 HG22 VAL A 157 16.702 15.485 -1.697 1.00 24.25 H new ATOM 0 HG23 VAL A 157 15.691 16.485 -2.766 1.00 24.25 H new TER 2528 VAL A 157 HETATM 2529 O6 EB4 A 200 1.730 3.307 3.249 1.00 20.00 O HETATM 2530 O4 EB4 A 200 0.630 1.536 2.364 1.00 20.00 O HETATM 2531 O5 EB4 A 200 2.966 1.558 2.636 1.00 20.00 O HETATM 2532 N1 EB4 A 200 -0.408 -1.767 5.785 1.00 20.00 N HETATM 2533 C5 EB4 A 200 4.004 0.715 2.879 1.00 20.00 C HETATM 2534 C4 EB4 A 200 -0.297 0.541 2.338 1.00 20.00 C HETATM 2535 C1 EB4 A 200 -0.335 -0.233 3.492 1.00 20.00 C HETATM 2536 C2 EB4 A 200 4.096 0.257 4.188 1.00 20.00 C HETATM 2537 C6 EB4 A 200 1.199 4.124 4.198 1.00 20.00 C HETATM 2538 C8 EB4 A 200 4.937 0.304 1.934 1.00 20.00 C HETATM 2539 N2 EB4 A 200 4.161 -0.796 6.645 1.00 20.00 N HETATM 2540 C9 EB4 A 200 0.800 5.438 3.982 1.00 20.00 C HETATM 2541 C10 EB4 A 200 -2.068 -0.792 1.390 1.00 20.00 C HETATM 2542 O3 EB4 A 200 1.441 2.249 5.540 1.00 20.00 O HETATM 2543 N3 EB4 A 200 0.669 2.395 7.949 1.00 20.00 N HETATM 2544 C16 EB4 A 200 -1.238 -1.285 3.595 1.00 20.00 C HETATM 2545 C7 EB4 A 200 -1.164 0.260 1.288 1.00 20.00 C HETATM 2546 C3 EB4 A 200 1.069 3.554 5.459 1.00 20.00 C HETATM 2547 C11 EB4 A 200 5.961 -0.563 2.298 1.00 20.00 C HETATM 2548 O1 EB4 A 200 0.560 0.136 4.448 1.00 20.00 O HETATM 2549 O2 EB4 A 200 3.137 0.716 5.035 1.00 20.00 O HETATM 2550 C12 EB4 A 200 0.302 6.193 5.038 1.00 20.00 C HETATM 2551 C15 EB4 A 200 0.204 5.633 6.308 1.00 20.00 C HETATM 2552 C14 EB4 A 200 6.051 -1.021 3.608 1.00 20.00 C HETATM 2553 C13 EB4 A 200 -2.105 -1.565 2.544 1.00 20.00 C HETATM 2554 O7 EB4 A 200 -2.074 -3.051 4.934 1.00 20.00 O HETATM 2555 C19 EB4 A 200 -1.281 -2.117 4.830 1.00 20.00 C HETATM 2556 C22 EB4 A 200 -0.327 -2.492 7.062 1.00 20.00 C HETATM 2557 C25 EB4 A 200 -0.614 -1.559 8.228 1.00 20.00 C HETATM 2558 O10 EB4 A 200 -1.173 -1.979 9.240 1.00 20.00 O HETATM 2559 O15 EB4 A 200 -0.219 -0.267 8.070 1.00 20.00 O HETATM 2560 C30 EB4 A 200 -0.506 0.625 9.157 1.00 20.00 C HETATM 2561 C24 EB4 A 200 0.594 1.672 9.226 1.00 20.00 C HETATM 2562 C21 EB4 A 200 0.480 3.720 7.882 1.00 20.00 C HETATM 2563 C18 EB4 A 200 0.586 4.313 6.520 1.00 20.00 C HETATM 2564 O9 EB4 A 200 0.231 4.425 8.858 1.00 20.00 O HETATM 2565 C27 EB4 A 200 1.898 0.915 9.621 1.00 20.00 C HETATM 2566 O12 EB4 A 200 2.082 0.526 10.774 1.00 20.00 O HETATM 2567 C28 EB4 A 200 1.005 -3.218 7.177 1.00 20.00 C HETATM 2568 O13 EB4 A 200 2.144 -2.346 7.098 1.00 20.00 O HETATM 2569 C26 EB4 A 200 2.853 -2.110 8.234 1.00 20.00 C HETATM 2570 O11 EB4 A 200 2.562 -2.572 9.337 1.00 20.00 O HETATM 2571 C23 EB4 A 200 4.075 -1.206 8.053 1.00 20.00 C HETATM 2572 C29 EB4 A 200 3.970 0.014 8.954 1.00 20.00 C HETATM 2573 O14 EB4 A 200 2.781 0.733 8.603 1.00 20.00 O HETATM 2574 C20 EB4 A 200 5.212 -1.073 5.862 1.00 20.00 C HETATM 2575 O8 EB4 A 200 6.207 -1.689 6.244 1.00 20.00 O HETATM 2576 C17 EB4 A 200 5.119 -0.611 4.555 1.00 20.00 C HETATM 0 H30A EB4 A 200 -1.475 1.103 9.009 1.00 20.00 H new HETATM 0 H29A EB4 A 200 3.935 -0.289 10.000 1.00 20.00 H new HETATM 0 H28A EB4 A 200 1.035 -3.756 8.124 1.00 20.00 H new HETATM 0 HN3 EB4 A 200 0.870 1.876 7.094 1.00 20.00 H new HETATM 0 HN2 EB4 A 200 3.382 -0.274 6.244 1.00 20.00 H new HETATM 0 HN1 EB4 A 200 0.216 -0.977 5.622 1.00 20.00 H new HETATM 0 H9 EB4 A 200 0.877 5.876 2.987 1.00 20.00 H new HETATM 0 H8 EB4 A 200 4.866 0.662 0.907 1.00 20.00 H new HETATM 0 H7 EB4 A 200 -1.135 0.866 0.382 1.00 20.00 H new HETATM 0 H30 EB4 A 200 -0.563 0.073 10.095 1.00 20.00 H new HETATM 0 H29 EB4 A 200 4.847 0.650 8.835 1.00 20.00 H new HETATM 0 H28 EB4 A 200 1.073 -3.963 6.384 1.00 20.00 H new HETATM 0 H24 EB4 A 200 0.409 2.443 9.973 1.00 20.00 H new HETATM 0 H23 EB4 A 200 4.976 -1.753 8.329 1.00 20.00 H new HETATM 0 H22 EB4 A 200 -1.099 -3.261 7.094 1.00 20.00 H new HETATM 0 H15 EB4 A 200 -0.173 6.230 7.138 1.00 20.00 H new HETATM 0 H14 EB4 A 200 6.853 -1.702 3.893 1.00 20.00 H new HETATM 0 H13 EB4 A 200 -2.813 -2.390 2.626 1.00 20.00 H new HETATM 0 H12 EB4 A 200 -0.012 7.223 4.871 1.00 20.00 H new HETATM 0 H11 EB4 A 200 6.693 -0.884 1.557 1.00 20.00 H new HETATM 0 H10 EB4 A 200 -2.747 -1.010 0.565 1.00 20.00 H new HETATM 2598 GA GA A 201 1.707 1.517 3.982 1.00 20.00 GA HETATM 2599 C1 ACD A 300 -1.478 9.670 -10.625 1.00 20.00 C HETATM 2600 C2 ACD A 300 0.018 9.611 -10.938 1.00 20.00 C HETATM 2601 C3 ACD A 300 0.716 8.657 -9.966 1.00 20.00 C HETATM 2602 C4 ACD A 300 0.498 9.134 -8.529 1.00 20.00 C HETATM 2603 C5 ACD A 300 1.255 8.223 -7.561 1.00 20.00 C HETATM 2604 C6 ACD A 300 0.650 7.869 -6.202 1.00 20.00 C HETATM 2605 C7 ACD A 300 -0.720 8.422 -5.805 1.00 20.00 C HETATM 2606 C8 ACD A 300 -0.710 8.859 -4.339 1.00 20.00 C HETATM 2607 C9 ACD A 300 -0.832 7.824 -3.218 1.00 20.00 C HETATM 2608 C10 ACD A 300 -0.964 6.336 -3.545 1.00 20.00 C HETATM 2609 C11 ACD A 300 -1.719 5.641 -2.408 1.00 20.00 C HETATM 2610 C12 ACD A 300 -0.993 5.318 -1.101 1.00 20.00 C HETATM 2611 C13 ACD A 300 0.483 5.694 -0.945 1.00 20.00 C HETATM 2612 C14 ACD A 300 0.717 6.013 0.533 1.00 20.00 C HETATM 2613 C15 ACD A 300 0.804 7.461 1.019 1.00 20.00 C HETATM 2614 C16 ACD A 300 0.658 8.625 0.036 1.00 20.00 C HETATM 2615 C17 ACD A 300 1.781 8.589 -1.003 1.00 20.00 C HETATM 2616 C18 ACD A 300 1.527 9.662 -2.062 1.00 20.00 C HETATM 2617 C19 ACD A 300 2.452 9.410 -3.255 1.00 20.00 C HETATM 2618 C20 ACD A 300 2.090 10.352 -4.405 1.00 20.00 C HETATM 2619 O1 ACD A 300 -2.078 10.732 -10.903 1.00 20.00 O HETATM 2620 O2 ACD A 300 -1.990 8.651 -10.113 1.00 20.00 O HETATM 0 H203 ACD A 300 1.058 10.176 -4.708 1.00 20.00 H new HETATM 0 H202 ACD A 300 2.201 11.386 -4.077 1.00 20.00 H new HETATM 0 H201 ACD A 300 2.753 10.166 -5.250 1.00 20.00 H new HETATM 0 H192 ACD A 300 3.490 9.565 -2.960 1.00 20.00 H new HETATM 0 H191 ACD A 300 2.364 8.374 -3.581 1.00 20.00 H new HETATM 0 H182 ACD A 300 0.485 9.637 -2.381 1.00 20.00 H new HETATM 0 H181 ACD A 300 1.710 10.653 -1.646 1.00 20.00 H new HETATM 0 H172 ACD A 300 2.743 8.759 -0.521 1.00 20.00 H new HETATM 0 H171 ACD A 300 1.828 7.605 -1.470 1.00 20.00 H new HETATM 0 H162 ACD A 300 -0.310 8.569 -0.463 1.00 20.00 H new HETATM 0 H161 ACD A 300 0.684 9.571 0.576 1.00 20.00 H new HETATM 0 H132 ACD A 300 1.125 4.874 -1.267 1.00 20.00 H new HETATM 0 H131 ACD A 300 0.728 6.554 -1.567 1.00 20.00 H new HETATM 0 H102 ACD A 300 -1.496 6.203 -4.487 1.00 20.00 H new HETATM 0 H101 ACD A 300 0.022 5.889 -3.671 1.00 20.00 H new HETATM 0 HO2 ACD A 300 -2.506 8.907 -9.320 1.00 20.00 H new HETATM 0 H9 ACD A 300 -0.825 8.150 -2.178 1.00 20.00 H new HETATM 0 H8 ACD A 300 -0.615 9.916 -4.091 1.00 20.00 H new HETATM 0 H72 ACD A 300 -0.977 9.268 -6.442 1.00 20.00 H new HETATM 0 H71 ACD A 300 -1.486 7.662 -5.960 1.00 20.00 H new HETATM 0 H6 ACD A 300 1.196 7.222 -5.515 1.00 20.00 H new HETATM 0 H5 ACD A 300 2.230 7.824 -7.841 1.00 20.00 H new HETATM 0 H42 ACD A 300 0.843 10.162 -8.421 1.00 20.00 H new HETATM 0 H41 ACD A 300 -0.566 9.129 -8.292 1.00 20.00 H new HETATM 0 H32 ACD A 300 0.324 7.647 -10.088 1.00 20.00 H new HETATM 0 H31 ACD A 300 1.782 8.613 -10.187 1.00 20.00 H new HETATM 0 H22 ACD A 300 0.171 9.275 -11.964 1.00 20.00 H new HETATM 0 H21 ACD A 300 0.454 10.607 -10.860 1.00 20.00 H new HETATM 0 H15 ACD A 300 0.972 7.666 2.076 1.00 20.00 H new HETATM 0 H14 ACD A 300 0.823 5.198 1.249 1.00 20.00 H new HETATM 0 H12 ACD A 300 -1.523 4.824 -0.287 1.00 20.00 H new HETATM 0 H11 ACD A 300 -2.770 5.378 -2.530 1.00 20.00 H new