USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1082 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 111 ASN : amide:sc= 0 X(o=0,f=0.22) USER MOD Set 2.1: A 73 THR OG1 : rot 112:sc= 0.39 USER MOD Set 2.2: A 75 THR OG1 : rot 174:sc= 1.35 USER MOD Set 3.1: A 47 HIS : no HE2:sc= 0.101 K(o=0.1,f=-0.52) USER MOD Set 3.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0492 (180deg=-0.0492) USER MOD Single : A 2 SER OG : rot 26:sc= 0.157 USER MOD Single : A 4 SER OG : rot 29:sc= 0.226 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0894 X(o=-0.089,f=-0.089) USER MOD Single : A -2 HIS : no HD1:sc= -0.0551 X(o=-0.055,f=0) USER MOD Single : A -3 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.18) USER MOD Single : A -4 HIS : no HD1:sc= 0 X(o=0,f=-0.071) USER MOD Single : A -5 HIS : no HD1:sc= -0.0112 X(o=-0.011,f=-0.0028) USER MOD Single : A -6 HIS : no HE2:sc= 0.0367 X(o=0.037,f=-0.33) USER MOD Single : A -7 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A -7 HIS N :NH3+ 150:sc= 0.061 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.0229 X(o=-0.023,f=-0.023) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.178 K(o=-0.18,f=-0.8) USER MOD Single : A 14 ASN : amide:sc= 0.204 K(o=0.2,f=-0.44) USER MOD Single : A 19 MET CE :methyl -162:sc= 0 (180deg=-0.457) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.0145 X(o=-0.014,f=-0.19) USER MOD Single : A 31 LYS NZ :NH3+ -164:sc= -0.0101 (180deg=-0.128) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -148:sc= 0.342 (180deg=0.0762) USER MOD Single : A 39 SER OG : rot 23:sc= 0.207 USER MOD Single : A 43 GLN : amide:sc= 0.402 K(o=0.4,f=-2.1!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -162:sc= 0.221 (180deg=0.178) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 18:sc= 0.00168 USER MOD Single : A 57 LYS NZ :NH3+ -143:sc= -0.0201 (180deg=-0.305) USER MOD Single : A 60 GLN : amide:sc=-0.00288 X(o=-0.0029,f=0) USER MOD Single : A 61 ASN : amide:sc= 1.21 K(o=1.2,f=-5.6!) USER MOD Single : A 69 CYS SG : rot 7:sc= -0.167 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 176:sc= 1.42 USER MOD Single : A 84 GLN : amide:sc= -1.57 K(o=-1.6,f=-0.15) USER MOD Single : A 89 ASN : amide:sc= -0.102 K(o=-0.1,f=-0.71) USER MOD Single : A 90 LYS NZ :NH3+ 176:sc= 1.15 (180deg=1.13) USER MOD Single : A 93 THR OG1 : rot 72:sc= 0.652 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -140:sc= -0.0584 (180deg=-1.42!) USER MOD Single : A 97 ASN : amide:sc=-0.000153 K(o=-0.00015,f=-1.3) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -0.48 X(o=-0.48,f=0) USER MOD Single : A 110 THR OG1 : rot 136:sc= 0.127 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 MET CE :methyl 165:sc= -0.116 (180deg=-0.403) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -164:sc= 0.984 (180deg=0.761) USER MOD Single : A 124 SER OG : rot 90:sc= 0.417 USER MOD Single : A 125 LYS NZ :NH3+ -167:sc=-0.00513 (180deg=-0.127) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A -7 9.886 -28.531 1.587 1.00 21.13 N ATOM 2 CA HIS A -7 10.144 -27.145 1.074 1.00 50.05 C ATOM 3 C HIS A -7 9.008 -26.906 0.047 1.00 12.24 C ATOM 4 O HIS A -7 8.734 -27.783 -0.778 1.00 44.41 O ATOM 5 CB HIS A -7 11.552 -26.981 0.445 1.00 43.24 C ATOM 6 CG HIS A -7 11.903 -27.889 -0.717 1.00 50.05 C ATOM 7 ND1 HIS A -7 12.704 -29.010 -0.581 1.00 22.34 N ATOM 8 CD2 HIS A -7 11.580 -27.829 -2.058 1.00 44.12 C ATOM 9 CE1 HIS A -7 12.807 -29.571 -1.789 1.00 43.51 C ATOM 10 NE2 HIS A -7 12.145 -28.914 -2.731 1.00 41.52 N ATOM 0 H1 HIS A -7 10.787 -28.974 1.857 1.00 21.13 H new ATOM 0 H2 HIS A -7 9.261 -28.483 2.417 1.00 21.13 H new ATOM 0 H3 HIS A -7 9.431 -29.097 0.843 1.00 21.13 H new ATOM 0 HA HIS A -7 10.141 -26.410 1.879 1.00 50.05 H new ATOM 0 HB2 HIS A -7 11.654 -25.949 0.110 1.00 43.24 H new ATOM 0 HB3 HIS A -7 12.292 -27.136 1.230 1.00 43.24 H new ATOM 0 HD2 HIS A -7 10.980 -27.058 -2.518 1.00 44.12 H new ATOM 0 HE1 HIS A -7 13.373 -30.471 -1.979 1.00 43.51 H new ATOM 0 HE2 HIS A -7 12.066 -29.148 -3.721 1.00 41.52 H new ATOM 18 N HIS A -6 8.592 -25.628 -0.062 1.00 75.54 N ATOM 19 CA HIS A -6 7.764 -25.041 -1.125 1.00 24.24 C ATOM 20 C HIS A -6 6.496 -25.857 -1.459 1.00 55.13 C ATOM 21 O HIS A -6 6.298 -26.261 -2.606 1.00 41.10 O ATOM 22 CB HIS A -6 8.647 -24.714 -2.356 1.00 65.50 C ATOM 23 CG HIS A -6 8.149 -23.566 -3.204 1.00 45.11 C ATOM 24 ND1 HIS A -6 6.872 -23.508 -3.740 1.00 42.44 N ATOM 25 CD2 HIS A -6 8.757 -22.390 -3.588 1.00 31.02 C ATOM 26 CE1 HIS A -6 6.764 -22.346 -4.391 1.00 14.24 C ATOM 27 NE2 HIS A -6 7.871 -21.616 -4.342 1.00 3.00 N ATOM 0 H HIS A -6 8.846 -24.934 0.641 1.00 75.54 H new ATOM 0 HA HIS A -6 7.356 -24.103 -0.749 1.00 24.24 H new ATOM 0 HB2 HIS A -6 9.655 -24.483 -2.012 1.00 65.50 H new ATOM 0 HB3 HIS A -6 8.720 -25.604 -2.981 1.00 65.50 H new ATOM 0 HD1 HIS A -6 6.148 -24.221 -3.653 1.00 42.44 H new ATOM 0 HD2 HIS A -6 9.770 -22.108 -3.342 1.00 31.02 H new ATOM 0 HE1 HIS A -6 5.867 -22.033 -4.905 1.00 14.24 H new ATOM 35 N HIS A -5 5.669 -26.092 -0.430 1.00 22.14 N ATOM 36 CA HIS A -5 4.385 -26.786 -0.543 1.00 60.41 C ATOM 37 C HIS A -5 3.377 -25.962 -1.361 1.00 3.35 C ATOM 38 O HIS A -5 3.374 -24.733 -1.268 1.00 20.35 O ATOM 39 CB HIS A -5 3.827 -27.076 0.865 1.00 1.11 C ATOM 40 CG HIS A -5 4.646 -28.048 1.682 1.00 33.10 C ATOM 41 ND1 HIS A -5 4.136 -29.243 2.156 1.00 64.31 N ATOM 42 CD2 HIS A -5 5.947 -27.998 2.138 1.00 1.15 C ATOM 43 CE1 HIS A -5 5.113 -29.848 2.838 1.00 61.44 C ATOM 44 NE2 HIS A -5 6.245 -29.153 2.862 1.00 42.43 N ATOM 0 H HIS A -5 5.882 -25.797 0.523 1.00 22.14 H new ATOM 0 HA HIS A -5 4.546 -27.728 -1.068 1.00 60.41 H new ATOM 0 HB2 HIS A -5 3.752 -26.136 1.412 1.00 1.11 H new ATOM 0 HB3 HIS A -5 2.815 -27.469 0.766 1.00 1.11 H new ATOM 0 HD2 HIS A -5 6.634 -27.184 1.961 1.00 1.15 H new ATOM 0 HE1 HIS A -5 4.994 -30.806 3.321 1.00 61.44 H new ATOM 0 HE2 HIS A -5 7.128 -29.405 3.307 1.00 42.43 H new ATOM 52 N HIS A -4 2.535 -26.664 -2.135 1.00 23.42 N ATOM 53 CA HIS A -4 1.482 -26.053 -2.945 1.00 64.23 C ATOM 54 C HIS A -4 0.371 -25.422 -2.089 1.00 70.33 C ATOM 55 O HIS A -4 0.088 -25.878 -0.980 1.00 61.43 O ATOM 56 CB HIS A -4 0.914 -27.076 -3.948 1.00 61.11 C ATOM 57 CG HIS A -4 1.864 -27.529 -5.036 1.00 51.40 C ATOM 58 ND1 HIS A -4 3.027 -26.854 -5.375 1.00 43.21 N ATOM 59 CD2 HIS A -4 1.818 -28.618 -5.879 1.00 12.12 C ATOM 60 CE1 HIS A -4 3.607 -27.532 -6.368 1.00 24.10 C ATOM 61 NE2 HIS A -4 2.927 -28.613 -6.728 1.00 54.41 N ATOM 0 H HIS A -4 2.570 -27.680 -2.214 1.00 23.42 H new ATOM 0 HA HIS A -4 1.934 -25.235 -3.505 1.00 64.23 H new ATOM 0 HB2 HIS A -4 0.581 -27.954 -3.394 1.00 61.11 H new ATOM 0 HB3 HIS A -4 0.032 -26.643 -4.419 1.00 61.11 H new ATOM 0 HD2 HIS A -4 1.039 -29.366 -5.883 1.00 12.12 H new ATOM 0 HE1 HIS A -4 4.535 -27.231 -6.831 1.00 24.10 H new ATOM 0 HE2 HIS A -4 3.161 -29.286 -7.458 1.00 54.41 H new ATOM 69 N HIS A -3 -0.211 -24.359 -2.651 1.00 61.24 N ATOM 70 CA HIS A -3 -1.168 -23.459 -2.025 1.00 12.33 C ATOM 71 C HIS A -3 -1.897 -22.687 -3.130 1.00 34.40 C ATOM 72 O HIS A -3 -1.384 -22.583 -4.247 1.00 33.02 O ATOM 73 CB HIS A -3 -0.456 -22.515 -1.019 1.00 62.21 C ATOM 74 CG HIS A -3 0.673 -21.645 -1.541 1.00 50.41 C ATOM 75 ND1 HIS A -3 0.965 -20.411 -0.984 1.00 74.24 N ATOM 76 CD2 HIS A -3 1.603 -21.814 -2.548 1.00 21.12 C ATOM 77 CE1 HIS A -3 2.003 -19.904 -1.655 1.00 64.04 C ATOM 78 NE2 HIS A -3 2.446 -20.704 -2.615 1.00 43.44 N ATOM 0 H HIS A -3 -0.010 -24.092 -3.615 1.00 61.24 H new ATOM 0 HA HIS A -3 -1.901 -24.024 -1.449 1.00 12.33 H new ATOM 0 HB2 HIS A -3 -1.210 -21.859 -0.584 1.00 62.21 H new ATOM 0 HB3 HIS A -3 -0.060 -23.127 -0.209 1.00 62.21 H new ATOM 0 HD2 HIS A -3 1.668 -22.680 -3.190 1.00 21.12 H new ATOM 0 HE1 HIS A -3 2.438 -18.940 -1.437 1.00 64.04 H new ATOM 0 HE2 HIS A -3 3.224 -20.545 -3.255 1.00 43.44 H new ATOM 86 N HIS A -2 -3.082 -22.147 -2.802 1.00 42.02 N ATOM 87 CA HIS A -2 -3.966 -21.449 -3.744 1.00 4.43 C ATOM 88 C HIS A -2 -3.575 -19.968 -3.969 1.00 54.24 C ATOM 89 O HIS A -2 -4.455 -19.121 -4.125 1.00 62.12 O ATOM 90 CB HIS A -2 -5.430 -21.645 -3.280 1.00 61.50 C ATOM 91 CG HIS A -2 -6.469 -21.643 -4.379 1.00 43.25 C ATOM 92 ND1 HIS A -2 -7.818 -21.824 -4.119 1.00 14.32 N ATOM 93 CD2 HIS A -2 -6.374 -21.514 -5.749 1.00 60.40 C ATOM 94 CE1 HIS A -2 -8.453 -21.807 -5.293 1.00 50.44 C ATOM 95 NE2 HIS A -2 -7.641 -21.627 -6.327 1.00 24.23 N ATOM 0 H HIS A -2 -3.458 -22.185 -1.855 1.00 42.02 H new ATOM 0 HA HIS A -2 -3.853 -21.890 -4.734 1.00 4.43 H new ATOM 0 HB2 HIS A -2 -5.498 -22.590 -2.742 1.00 61.50 H new ATOM 0 HB3 HIS A -2 -5.676 -20.855 -2.570 1.00 61.50 H new ATOM 0 HD2 HIS A -2 -5.456 -21.350 -6.294 1.00 60.40 H new ATOM 0 HE1 HIS A -2 -9.522 -21.928 -5.392 1.00 50.44 H new ATOM 0 HE2 HIS A -2 -7.886 -21.582 -7.316 1.00 24.23 H new ATOM 103 N VAL A -1 -2.262 -19.688 -3.980 1.00 15.23 N ATOM 104 CA VAL A -1 -1.665 -18.370 -4.164 1.00 20.31 C ATOM 105 C VAL A -1 -0.513 -18.506 -5.173 1.00 21.12 C ATOM 106 O VAL A -1 0.440 -19.245 -4.917 1.00 31.13 O ATOM 107 CB VAL A -1 -1.105 -17.812 -2.820 1.00 12.52 C ATOM 108 CG1 VAL A -1 -0.260 -16.525 -2.956 1.00 3.12 C ATOM 109 CG2 VAL A -1 -2.221 -17.609 -1.778 1.00 64.25 C ATOM 0 H VAL A -1 -1.559 -20.416 -3.854 1.00 15.23 H new ATOM 0 HA VAL A -1 -2.427 -17.679 -4.525 1.00 20.31 H new ATOM 0 HB VAL A -1 -0.420 -18.585 -2.471 1.00 12.52 H new ATOM 0 HG11 VAL A -1 0.086 -16.211 -1.971 1.00 3.12 H new ATOM 0 HG12 VAL A -1 0.599 -16.720 -3.598 1.00 3.12 H new ATOM 0 HG13 VAL A -1 -0.869 -15.735 -3.395 1.00 3.12 H new ATOM 0 HG21 VAL A -1 -1.791 -17.219 -0.855 1.00 64.25 H new ATOM 0 HG22 VAL A -1 -2.955 -16.901 -2.164 1.00 64.25 H new ATOM 0 HG23 VAL A -1 -2.708 -18.563 -1.576 1.00 64.25 H new ATOM 119 N ALA A 0 -0.623 -17.770 -6.291 1.00 75.33 N ATOM 120 CA ALA A 0 0.424 -17.613 -7.302 1.00 13.51 C ATOM 121 C ALA A 0 1.445 -16.535 -6.892 1.00 44.21 C ATOM 122 O ALA A 0 1.183 -15.761 -5.970 1.00 65.44 O ATOM 123 CB ALA A 0 -0.249 -17.241 -8.633 1.00 22.50 C ATOM 0 H ALA A 0 -1.472 -17.253 -6.519 1.00 75.33 H new ATOM 0 HA ALA A 0 0.974 -18.549 -7.404 1.00 13.51 H new ATOM 0 HB1 ALA A 0 0.512 -17.118 -9.404 1.00 22.50 H new ATOM 0 HB2 ALA A 0 -0.938 -18.033 -8.926 1.00 22.50 H new ATOM 0 HB3 ALA A 0 -0.799 -16.307 -8.514 1.00 22.50 H new ATOM 129 N MET A 1 2.586 -16.499 -7.608 1.00 24.02 N ATOM 130 CA MET A 1 3.708 -15.565 -7.420 1.00 5.22 C ATOM 131 C MET A 1 4.425 -15.733 -6.063 1.00 65.13 C ATOM 132 O MET A 1 4.198 -16.705 -5.340 1.00 4.04 O ATOM 133 CB MET A 1 3.267 -14.090 -7.673 1.00 54.13 C ATOM 134 CG MET A 1 2.854 -13.776 -9.113 1.00 75.42 C ATOM 135 SD MET A 1 4.228 -13.631 -10.282 1.00 35.22 S ATOM 136 CE MET A 1 3.300 -13.017 -11.711 1.00 62.22 C ATOM 0 H MET A 1 2.756 -17.154 -8.371 1.00 24.02 H new ATOM 0 HA MET A 1 4.451 -15.824 -8.174 1.00 5.22 H new ATOM 0 HB2 MET A 1 2.431 -13.858 -7.013 1.00 54.13 H new ATOM 0 HB3 MET A 1 4.087 -13.428 -7.394 1.00 54.13 H new ATOM 0 HG2 MET A 1 2.180 -14.558 -9.462 1.00 75.42 H new ATOM 0 HG3 MET A 1 2.290 -12.843 -9.119 1.00 75.42 H new ATOM 0 HE1 MET A 1 3.981 -12.862 -12.548 1.00 62.22 H new ATOM 0 HE2 MET A 1 2.540 -13.746 -11.992 1.00 62.22 H new ATOM 0 HE3 MET A 1 2.820 -12.073 -11.455 1.00 62.22 H new ATOM 146 N SER A 2 5.303 -14.767 -5.760 1.00 51.31 N ATOM 147 CA SER A 2 5.993 -14.615 -4.493 1.00 70.03 C ATOM 148 C SER A 2 6.127 -13.112 -4.215 1.00 64.11 C ATOM 149 O SER A 2 6.786 -12.401 -4.974 1.00 21.45 O ATOM 150 CB SER A 2 7.329 -15.393 -4.517 1.00 61.24 C ATOM 151 OG SER A 2 8.241 -14.909 -5.487 1.00 64.31 O ATOM 0 H SER A 2 5.556 -14.041 -6.430 1.00 51.31 H new ATOM 0 HA SER A 2 5.436 -15.050 -3.664 1.00 70.03 H new ATOM 0 HB2 SER A 2 7.792 -15.336 -3.532 1.00 61.24 H new ATOM 0 HB3 SER A 2 7.125 -16.446 -4.713 1.00 61.24 H new ATOM 0 HG SER A 2 8.056 -13.963 -5.667 1.00 64.31 H new ATOM 157 N PHE A 3 5.492 -12.656 -3.121 1.00 51.23 N ATOM 158 CA PHE A 3 5.554 -11.283 -2.610 1.00 34.33 C ATOM 159 C PHE A 3 6.863 -11.007 -1.837 1.00 42.54 C ATOM 160 O PHE A 3 6.823 -10.446 -0.747 1.00 61.34 O ATOM 161 CB PHE A 3 4.268 -10.977 -1.800 1.00 42.50 C ATOM 162 CG PHE A 3 2.988 -10.821 -2.608 1.00 12.51 C ATOM 163 CD1 PHE A 3 2.657 -9.575 -3.183 1.00 54.13 C ATOM 164 CD2 PHE A 3 2.174 -11.941 -2.889 1.00 61.21 C ATOM 165 CE1 PHE A 3 1.495 -9.444 -3.934 1.00 50.13 C ATOM 166 CE2 PHE A 3 1.027 -11.792 -3.654 1.00 20.11 C ATOM 167 CZ PHE A 3 0.682 -10.547 -4.164 1.00 13.10 C ATOM 0 H PHE A 3 4.900 -13.259 -2.550 1.00 51.23 H new ATOM 0 HA PHE A 3 5.585 -10.587 -3.448 1.00 34.33 H new ATOM 0 HB2 PHE A 3 4.121 -11.778 -1.075 1.00 42.50 H new ATOM 0 HB3 PHE A 3 4.430 -10.060 -1.233 1.00 42.50 H new ATOM 0 HD1 PHE A 3 3.306 -8.724 -3.039 1.00 54.13 H new ATOM 0 HD2 PHE A 3 2.445 -12.914 -2.508 1.00 61.21 H new ATOM 0 HE1 PHE A 3 1.223 -8.481 -4.340 1.00 50.13 H new ATOM 0 HE2 PHE A 3 0.399 -12.648 -3.854 1.00 20.11 H new ATOM 0 HZ PHE A 3 -0.223 -10.436 -4.743 1.00 13.10 H new ATOM 177 N SER A 4 8.002 -11.421 -2.413 1.00 10.11 N ATOM 178 CA SER A 4 9.341 -11.315 -1.846 1.00 51.31 C ATOM 179 C SER A 4 10.297 -10.751 -2.910 1.00 52.21 C ATOM 180 O SER A 4 10.544 -11.408 -3.923 1.00 3.23 O ATOM 181 CB SER A 4 9.768 -12.680 -1.261 1.00 73.10 C ATOM 182 OG SER A 4 9.856 -13.699 -2.241 1.00 35.45 O ATOM 0 H SER A 4 8.006 -11.860 -3.334 1.00 10.11 H new ATOM 0 HA SER A 4 9.365 -10.615 -1.011 1.00 51.31 H new ATOM 0 HB2 SER A 4 10.735 -12.572 -0.769 1.00 73.10 H new ATOM 0 HB3 SER A 4 9.053 -12.981 -0.495 1.00 73.10 H new ATOM 0 HG SER A 4 10.088 -13.302 -3.106 1.00 35.45 H new ATOM 188 N GLY A 5 10.810 -9.538 -2.656 1.00 0.50 N ATOM 189 CA GLY A 5 11.712 -8.825 -3.557 1.00 50.05 C ATOM 190 C GLY A 5 11.708 -7.333 -3.198 1.00 70.14 C ATOM 191 O GLY A 5 10.830 -6.863 -2.475 1.00 2.24 O ATOM 0 H GLY A 5 10.603 -9.020 -1.802 1.00 0.50 H new ATOM 0 HA2 GLY A 5 12.721 -9.228 -3.475 1.00 50.05 H new ATOM 0 HA3 GLY A 5 11.397 -8.963 -4.591 1.00 50.05 H new ATOM 195 N LYS A 6 12.693 -6.587 -3.731 1.00 53.11 N ATOM 196 CA LYS A 6 12.856 -5.149 -3.504 1.00 33.32 C ATOM 197 C LYS A 6 12.787 -4.401 -4.844 1.00 2.31 C ATOM 198 O LYS A 6 13.331 -4.883 -5.835 1.00 51.24 O ATOM 199 CB LYS A 6 14.181 -4.896 -2.757 1.00 34.34 C ATOM 200 CG LYS A 6 14.239 -3.532 -2.035 1.00 41.11 C ATOM 201 CD LYS A 6 15.348 -2.597 -2.526 1.00 73.43 C ATOM 202 CE LYS A 6 16.758 -3.066 -2.134 1.00 73.45 C ATOM 203 NZ LYS A 6 17.779 -2.084 -2.533 1.00 41.11 N1+ ATOM 0 H LYS A 6 13.409 -6.979 -4.342 1.00 53.11 H new ATOM 0 HA LYS A 6 12.047 -4.769 -2.880 1.00 33.32 H new ATOM 0 HB2 LYS A 6 14.332 -5.690 -2.026 1.00 34.34 H new ATOM 0 HB3 LYS A 6 15.005 -4.956 -3.468 1.00 34.34 H new ATOM 0 HG2 LYS A 6 13.279 -3.030 -2.156 1.00 41.11 H new ATOM 0 HG3 LYS A 6 14.375 -3.706 -0.968 1.00 41.11 H new ATOM 0 HD2 LYS A 6 15.289 -2.514 -3.611 1.00 73.43 H new ATOM 0 HD3 LYS A 6 15.179 -1.600 -2.120 1.00 73.43 H new ATOM 0 HE2 LYS A 6 16.804 -3.224 -1.057 1.00 73.45 H new ATOM 0 HE3 LYS A 6 16.969 -4.025 -2.607 1.00 73.45 H new ATOM 0 HZ1 LYS A 6 18.720 -2.429 -2.255 1.00 41.11 H new ATOM 0 HZ2 LYS A 6 17.749 -1.952 -3.564 1.00 41.11 H new ATOM 0 HZ3 LYS A 6 17.590 -1.176 -2.062 1.00 41.11 H new ATOM 217 N TYR A 7 12.090 -3.255 -4.840 1.00 32.11 N ATOM 218 CA TYR A 7 11.613 -2.526 -6.016 1.00 30.14 C ATOM 219 C TYR A 7 11.924 -1.025 -5.885 1.00 32.15 C ATOM 220 O TYR A 7 11.959 -0.502 -4.775 1.00 20.05 O ATOM 221 CB TYR A 7 10.082 -2.744 -6.156 1.00 54.11 C ATOM 222 CG TYR A 7 9.588 -4.180 -6.013 1.00 71.04 C ATOM 223 CD1 TYR A 7 9.511 -5.028 -7.136 1.00 22.53 C ATOM 224 CD2 TYR A 7 9.206 -4.681 -4.748 1.00 32.01 C ATOM 225 CE1 TYR A 7 9.100 -6.369 -7.001 1.00 51.11 C ATOM 226 CE2 TYR A 7 8.781 -6.018 -4.614 1.00 13.51 C ATOM 227 CZ TYR A 7 8.741 -6.867 -5.734 1.00 23.13 C ATOM 228 OH TYR A 7 8.342 -8.165 -5.589 1.00 1.12 O ATOM 0 H TYR A 7 11.832 -2.791 -3.969 1.00 32.11 H new ATOM 0 HA TYR A 7 12.122 -2.901 -6.904 1.00 30.14 H new ATOM 0 HB2 TYR A 7 9.579 -2.133 -5.406 1.00 54.11 H new ATOM 0 HB3 TYR A 7 9.771 -2.371 -7.132 1.00 54.11 H new ATOM 0 HD1 TYR A 7 9.770 -4.645 -8.112 1.00 22.53 H new ATOM 0 HD2 TYR A 7 9.240 -4.037 -3.881 1.00 32.01 H new ATOM 0 HE1 TYR A 7 9.060 -7.013 -7.867 1.00 51.11 H new ATOM 0 HE2 TYR A 7 8.484 -6.393 -3.645 1.00 13.51 H new ATOM 0 HH TYR A 7 8.133 -8.340 -4.648 1.00 1.12 H new ATOM 238 N GLN A 8 12.108 -0.340 -7.022 1.00 12.25 N ATOM 239 CA GLN A 8 12.282 1.115 -7.108 1.00 23.23 C ATOM 240 C GLN A 8 11.049 1.729 -7.788 1.00 74.20 C ATOM 241 O GLN A 8 10.450 1.071 -8.640 1.00 23.14 O ATOM 242 CB GLN A 8 13.587 1.409 -7.882 1.00 44.44 C ATOM 243 CG GLN A 8 13.570 1.042 -9.387 1.00 54.44 C ATOM 244 CD GLN A 8 14.871 0.396 -9.862 1.00 43.43 C ATOM 245 OE1 GLN A 8 15.951 0.955 -9.686 1.00 25.13 O ATOM 246 NE2 GLN A 8 14.771 -0.788 -10.472 1.00 32.20 N ATOM 0 H GLN A 8 12.141 -0.797 -7.933 1.00 12.25 H new ATOM 0 HA GLN A 8 12.368 1.564 -6.118 1.00 23.23 H new ATOM 0 HB2 GLN A 8 13.813 2.471 -7.788 1.00 44.44 H new ATOM 0 HB3 GLN A 8 14.402 0.866 -7.403 1.00 44.44 H new ATOM 0 HG2 GLN A 8 12.742 0.360 -9.579 1.00 54.44 H new ATOM 0 HG3 GLN A 8 13.384 1.943 -9.972 1.00 54.44 H new ATOM 0 HE21 GLN A 8 13.856 -1.220 -10.599 1.00 32.20 H new ATOM 0 HE22 GLN A 8 15.610 -1.260 -10.810 1.00 32.20 H new ATOM 255 N LEU A 9 10.706 2.981 -7.435 1.00 12.01 N ATOM 256 CA LEU A 9 9.612 3.738 -8.060 1.00 44.41 C ATOM 257 C LEU A 9 9.928 4.013 -9.544 1.00 23.42 C ATOM 258 O LEU A 9 11.033 4.456 -9.857 1.00 10.44 O ATOM 259 CB LEU A 9 9.374 5.057 -7.277 1.00 53.02 C ATOM 260 CG LEU A 9 7.900 5.428 -7.006 1.00 23.31 C ATOM 261 CD1 LEU A 9 7.814 6.693 -6.137 1.00 2.25 C ATOM 262 CD2 LEU A 9 7.037 5.591 -8.267 1.00 32.31 C ATOM 0 H LEU A 9 11.187 3.499 -6.700 1.00 12.01 H new ATOM 0 HA LEU A 9 8.696 3.148 -8.022 1.00 44.41 H new ATOM 0 HB2 LEU A 9 9.892 4.987 -6.320 1.00 53.02 H new ATOM 0 HB3 LEU A 9 9.837 5.873 -7.831 1.00 53.02 H new ATOM 0 HG LEU A 9 7.482 4.574 -6.472 1.00 23.31 H new ATOM 0 HD11 LEU A 9 6.768 6.940 -5.956 1.00 2.25 H new ATOM 0 HD12 LEU A 9 8.315 6.515 -5.185 1.00 2.25 H new ATOM 0 HD13 LEU A 9 8.298 7.522 -6.653 1.00 2.25 H new ATOM 0 HD21 LEU A 9 6.018 5.851 -7.980 1.00 32.31 H new ATOM 0 HD22 LEU A 9 7.451 6.382 -8.892 1.00 32.31 H new ATOM 0 HD23 LEU A 9 7.029 4.655 -8.826 1.00 32.31 H new ATOM 274 N GLN A 10 8.946 3.746 -10.417 1.00 4.02 N ATOM 275 CA GLN A 10 9.002 4.030 -11.849 1.00 40.12 C ATOM 276 C GLN A 10 8.178 5.291 -12.144 1.00 25.41 C ATOM 277 O GLN A 10 8.764 6.317 -12.487 1.00 51.02 O ATOM 278 CB GLN A 10 8.499 2.808 -12.658 1.00 23.21 C ATOM 279 CG GLN A 10 9.331 1.524 -12.470 1.00 11.14 C ATOM 280 CD GLN A 10 10.748 1.625 -13.033 1.00 73.23 C ATOM 281 OE1 GLN A 10 10.978 1.318 -14.200 1.00 22.21 O ATOM 282 NE2 GLN A 10 11.708 2.024 -12.199 1.00 4.53 N ATOM 0 H GLN A 10 8.067 3.314 -10.133 1.00 4.02 H new ATOM 0 HA GLN A 10 10.032 4.215 -12.153 1.00 40.12 H new ATOM 0 HB2 GLN A 10 7.467 2.601 -12.374 1.00 23.21 H new ATOM 0 HB3 GLN A 10 8.492 3.068 -13.716 1.00 23.21 H new ATOM 0 HG2 GLN A 10 9.387 1.290 -11.407 1.00 11.14 H new ATOM 0 HG3 GLN A 10 8.816 0.693 -12.952 1.00 11.14 H new ATOM 0 HE21 GLN A 10 11.477 2.271 -11.237 1.00 4.53 H new ATOM 0 HE22 GLN A 10 12.673 2.083 -12.523 1.00 4.53 H new ATOM 291 N SER A 11 6.850 5.192 -11.980 1.00 2.22 N ATOM 292 CA SER A 11 5.891 6.249 -12.302 1.00 31.44 C ATOM 293 C SER A 11 4.763 6.316 -11.265 1.00 60.01 C ATOM 294 O SER A 11 4.621 5.410 -10.443 1.00 44.20 O ATOM 295 CB SER A 11 5.345 6.027 -13.731 1.00 33.23 C ATOM 296 OG SER A 11 6.145 6.720 -14.667 1.00 42.42 O ATOM 0 H SER A 11 6.406 4.351 -11.610 1.00 2.22 H new ATOM 0 HA SER A 11 6.399 7.213 -12.269 1.00 31.44 H new ATOM 0 HB2 SER A 11 5.337 4.962 -13.965 1.00 33.23 H new ATOM 0 HB3 SER A 11 4.314 6.375 -13.793 1.00 33.23 H new ATOM 0 HG SER A 11 5.794 6.573 -15.570 1.00 42.42 H new ATOM 302 N GLN A 12 3.983 7.405 -11.332 1.00 33.41 N ATOM 303 CA GLN A 12 2.863 7.683 -10.440 1.00 74.33 C ATOM 304 C GLN A 12 1.946 8.748 -11.059 1.00 1.03 C ATOM 305 O GLN A 12 2.438 9.705 -11.657 1.00 32.25 O ATOM 306 CB GLN A 12 3.380 8.068 -9.035 1.00 61.21 C ATOM 307 CG GLN A 12 4.291 9.313 -8.991 1.00 23.43 C ATOM 308 CD GLN A 12 4.909 9.567 -7.617 1.00 73.02 C ATOM 309 OE1 GLN A 12 4.903 8.710 -6.735 1.00 23.32 O ATOM 310 NE2 GLN A 12 5.465 10.764 -7.437 1.00 11.21 N ATOM 0 H GLN A 12 4.124 8.134 -12.031 1.00 33.41 H new ATOM 0 HA GLN A 12 2.259 6.784 -10.314 1.00 74.33 H new ATOM 0 HB2 GLN A 12 2.523 8.241 -8.384 1.00 61.21 H new ATOM 0 HB3 GLN A 12 3.928 7.221 -8.622 1.00 61.21 H new ATOM 0 HG2 GLN A 12 5.089 9.195 -9.724 1.00 23.43 H new ATOM 0 HG3 GLN A 12 3.712 10.188 -9.288 1.00 23.43 H new ATOM 0 HE21 GLN A 12 5.452 11.451 -8.191 1.00 11.21 H new ATOM 0 HE22 GLN A 12 5.904 10.994 -6.545 1.00 11.21 H new ATOM 319 N GLU A 13 0.630 8.542 -10.902 1.00 43.44 N ATOM 320 CA GLU A 13 -0.438 9.381 -11.452 1.00 42.23 C ATOM 321 C GLU A 13 -1.380 9.789 -10.311 1.00 20.52 C ATOM 322 O GLU A 13 -1.565 9.009 -9.378 1.00 74.05 O ATOM 323 CB GLU A 13 -1.230 8.626 -12.550 1.00 15.01 C ATOM 324 CG GLU A 13 -0.415 8.079 -13.746 1.00 12.24 C ATOM 325 CD GLU A 13 0.361 6.787 -13.462 1.00 45.31 C ATOM 326 OE1 GLU A 13 -0.263 5.853 -12.913 1.00 24.51 O ATOM 327 OE2 GLU A 13 1.565 6.754 -13.795 1.00 1.35 O1- ATOM 0 H GLU A 13 0.269 7.753 -10.366 1.00 43.44 H new ATOM 0 HA GLU A 13 0.003 10.266 -11.910 1.00 42.23 H new ATOM 0 HB2 GLU A 13 -1.748 7.790 -12.081 1.00 15.01 H new ATOM 0 HB3 GLU A 13 -1.996 9.297 -12.939 1.00 15.01 H new ATOM 0 HG2 GLU A 13 -1.095 7.901 -14.579 1.00 12.24 H new ATOM 0 HG3 GLU A 13 0.290 8.846 -14.068 1.00 12.24 H new ATOM 334 N ASN A 14 -1.949 11.011 -10.398 1.00 43.13 N ATOM 335 CA ASN A 14 -2.777 11.658 -9.358 1.00 52.34 C ATOM 336 C ASN A 14 -2.043 11.851 -8.011 1.00 34.24 C ATOM 337 O ASN A 14 -2.711 12.036 -6.995 1.00 23.21 O ATOM 338 CB ASN A 14 -4.146 10.921 -9.199 1.00 31.51 C ATOM 339 CG ASN A 14 -5.302 11.541 -9.986 1.00 12.42 C ATOM 340 OD1 ASN A 14 -5.451 12.760 -10.031 1.00 10.54 O ATOM 341 ND2 ASN A 14 -6.166 10.701 -10.557 1.00 73.45 N ATOM 0 H ASN A 14 -1.840 11.596 -11.226 1.00 43.13 H new ATOM 0 HA ASN A 14 -2.982 12.670 -9.706 1.00 52.34 H new ATOM 0 HB2 ASN A 14 -4.024 9.885 -9.515 1.00 31.51 H new ATOM 0 HB3 ASN A 14 -4.413 10.903 -8.142 1.00 31.51 H new ATOM 0 HD21 ASN A 14 -6.981 11.065 -11.050 1.00 73.45 H new ATOM 0 HD22 ASN A 14 -6.012 9.694 -10.500 1.00 73.45 H new ATOM 348 N PHE A 15 -0.695 11.833 -8.020 1.00 24.15 N ATOM 349 CA PHE A 15 0.149 11.979 -6.833 1.00 23.43 C ATOM 350 C PHE A 15 -0.106 13.289 -6.081 1.00 74.11 C ATOM 351 O PHE A 15 -0.552 13.237 -4.939 1.00 1.01 O ATOM 352 CB PHE A 15 1.637 11.749 -7.184 1.00 2.23 C ATOM 353 CG PHE A 15 2.609 11.945 -6.029 1.00 74.31 C ATOM 354 CD1 PHE A 15 2.836 10.906 -5.103 1.00 60.44 C ATOM 355 CD2 PHE A 15 3.149 13.221 -5.763 1.00 63.41 C ATOM 356 CE1 PHE A 15 3.633 11.125 -3.989 1.00 62.11 C ATOM 357 CE2 PHE A 15 3.922 13.427 -4.631 1.00 71.40 C ATOM 358 CZ PHE A 15 4.172 12.383 -3.753 1.00 21.22 C ATOM 0 H PHE A 15 -0.157 11.713 -8.878 1.00 24.15 H new ATOM 0 HA PHE A 15 -0.134 11.197 -6.128 1.00 23.43 H new ATOM 0 HB2 PHE A 15 1.752 10.735 -7.567 1.00 2.23 H new ATOM 0 HB3 PHE A 15 1.913 12.428 -7.991 1.00 2.23 H new ATOM 0 HD1 PHE A 15 2.388 9.936 -5.262 1.00 60.44 H new ATOM 0 HD2 PHE A 15 2.960 14.039 -6.443 1.00 63.41 H new ATOM 0 HE1 PHE A 15 3.835 10.315 -3.303 1.00 62.11 H new ATOM 0 HE2 PHE A 15 4.332 14.406 -4.432 1.00 71.40 H new ATOM 0 HZ PHE A 15 4.789 12.549 -2.882 1.00 21.22 H new ATOM 368 N GLU A 16 0.143 14.431 -6.747 1.00 41.43 N ATOM 369 CA GLU A 16 -0.027 15.763 -6.164 1.00 0.21 C ATOM 370 C GLU A 16 -1.485 16.067 -5.774 1.00 40.14 C ATOM 371 O GLU A 16 -1.693 16.676 -4.728 1.00 50.12 O ATOM 372 CB GLU A 16 0.545 16.849 -7.096 1.00 62.30 C ATOM 373 CG GLU A 16 2.016 16.617 -7.498 1.00 34.23 C ATOM 374 CD GLU A 16 2.602 17.817 -8.237 1.00 35.45 C ATOM 375 OE1 GLU A 16 3.039 18.759 -7.538 1.00 2.32 O ATOM 376 OE2 GLU A 16 2.615 17.767 -9.485 1.00 14.32 O1- ATOM 0 H GLU A 16 0.470 14.449 -7.713 1.00 41.43 H new ATOM 0 HA GLU A 16 0.543 15.773 -5.235 1.00 0.21 H new ATOM 0 HB2 GLU A 16 -0.065 16.897 -7.998 1.00 62.30 H new ATOM 0 HB3 GLU A 16 0.462 17.818 -6.603 1.00 62.30 H new ATOM 0 HG2 GLU A 16 2.609 16.416 -6.605 1.00 34.23 H new ATOM 0 HG3 GLU A 16 2.084 15.733 -8.131 1.00 34.23 H new ATOM 383 N ALA A 17 -2.460 15.590 -6.569 1.00 41.43 N ATOM 384 CA ALA A 17 -3.893 15.694 -6.275 1.00 64.44 C ATOM 385 C ALA A 17 -4.291 14.997 -4.962 1.00 21.15 C ATOM 386 O ALA A 17 -4.948 15.622 -4.130 1.00 52.04 O ATOM 387 CB ALA A 17 -4.701 15.138 -7.459 1.00 51.43 C ATOM 0 H ALA A 17 -2.266 15.113 -7.449 1.00 41.43 H new ATOM 0 HA ALA A 17 -4.123 16.750 -6.135 1.00 64.44 H new ATOM 0 HB1 ALA A 17 -5.766 15.215 -7.241 1.00 51.43 H new ATOM 0 HB2 ALA A 17 -4.472 15.712 -8.357 1.00 51.43 H new ATOM 0 HB3 ALA A 17 -4.438 14.092 -7.620 1.00 51.43 H new ATOM 393 N PHE A 18 -3.848 13.741 -4.791 1.00 53.03 N ATOM 394 CA PHE A 18 -4.075 12.920 -3.602 1.00 1.40 C ATOM 395 C PHE A 18 -3.364 13.446 -2.346 1.00 42.54 C ATOM 396 O PHE A 18 -3.997 13.527 -1.294 1.00 24.03 O ATOM 397 CB PHE A 18 -3.712 11.453 -3.923 1.00 72.24 C ATOM 398 CG PHE A 18 -3.783 10.466 -2.769 1.00 64.31 C ATOM 399 CD1 PHE A 18 -2.634 10.195 -1.994 1.00 12.40 C ATOM 400 CD2 PHE A 18 -5.023 9.931 -2.362 1.00 3.02 C ATOM 401 CE1 PHE A 18 -2.721 9.368 -0.884 1.00 31.44 C ATOM 402 CE2 PHE A 18 -5.087 9.098 -1.252 1.00 22.13 C ATOM 403 CZ PHE A 18 -3.943 8.820 -0.516 1.00 41.52 C ATOM 0 H PHE A 18 -3.303 13.257 -5.505 1.00 53.03 H new ATOM 0 HA PHE A 18 -5.134 12.977 -3.350 1.00 1.40 H new ATOM 0 HB2 PHE A 18 -4.377 11.102 -4.712 1.00 72.24 H new ATOM 0 HB3 PHE A 18 -2.700 11.433 -4.327 1.00 72.24 H new ATOM 0 HD1 PHE A 18 -1.685 10.633 -2.266 1.00 12.40 H new ATOM 0 HD2 PHE A 18 -5.921 10.169 -2.912 1.00 3.02 H new ATOM 0 HE1 PHE A 18 -1.836 9.150 -0.304 1.00 31.44 H new ATOM 0 HE2 PHE A 18 -6.032 8.664 -0.960 1.00 22.13 H new ATOM 0 HZ PHE A 18 -4.004 8.174 0.347 1.00 41.52 H new ATOM 413 N MET A 19 -2.074 13.794 -2.481 1.00 55.30 N ATOM 414 CA MET A 19 -1.214 14.261 -1.391 1.00 10.14 C ATOM 415 C MET A 19 -1.645 15.622 -0.814 1.00 23.02 C ATOM 416 O MET A 19 -1.552 15.809 0.399 1.00 25.41 O ATOM 417 CB MET A 19 0.249 14.314 -1.854 1.00 3.32 C ATOM 418 CG MET A 19 0.868 12.976 -2.294 1.00 44.32 C ATOM 419 SD MET A 19 1.886 12.132 -1.054 1.00 31.24 S ATOM 420 CE MET A 19 0.712 10.892 -0.457 1.00 45.12 C ATOM 0 H MET A 19 -1.591 13.756 -3.378 1.00 55.30 H new ATOM 0 HA MET A 19 -1.318 13.538 -0.582 1.00 10.14 H new ATOM 0 HB2 MET A 19 0.321 15.015 -2.685 1.00 3.32 H new ATOM 0 HB3 MET A 19 0.852 14.720 -1.042 1.00 3.32 H new ATOM 0 HG2 MET A 19 0.062 12.305 -2.593 1.00 44.32 H new ATOM 0 HG3 MET A 19 1.479 13.154 -3.179 1.00 44.32 H new ATOM 0 HE1 MET A 19 1.048 10.506 0.505 1.00 45.12 H new ATOM 0 HE2 MET A 19 -0.271 11.348 -0.342 1.00 45.12 H new ATOM 0 HE3 MET A 19 0.651 10.074 -1.175 1.00 45.12 H new ATOM 430 N LYS A 20 -2.130 16.533 -1.677 1.00 5.12 N ATOM 431 CA LYS A 20 -2.694 17.827 -1.284 1.00 70.21 C ATOM 432 C LYS A 20 -4.110 17.704 -0.691 1.00 45.31 C ATOM 433 O LYS A 20 -4.459 18.523 0.158 1.00 54.35 O ATOM 434 CB LYS A 20 -2.681 18.800 -2.485 1.00 21.54 C ATOM 435 CG LYS A 20 -1.275 19.209 -2.978 1.00 73.32 C ATOM 436 CD LYS A 20 -0.442 20.072 -2.017 1.00 31.42 C ATOM 437 CE LYS A 20 -1.027 21.469 -1.770 1.00 14.14 C ATOM 438 NZ LYS A 20 -0.129 22.275 -0.927 1.00 71.41 N1+ ATOM 0 H LYS A 20 -2.139 16.383 -2.686 1.00 5.12 H new ATOM 0 HA LYS A 20 -2.062 18.228 -0.491 1.00 70.21 H new ATOM 0 HB2 LYS A 20 -3.220 18.339 -3.313 1.00 21.54 H new ATOM 0 HB3 LYS A 20 -3.229 19.701 -2.210 1.00 21.54 H new ATOM 0 HG2 LYS A 20 -0.712 18.302 -3.199 1.00 73.32 H new ATOM 0 HG3 LYS A 20 -1.386 19.752 -3.917 1.00 73.32 H new ATOM 0 HD2 LYS A 20 -0.352 19.553 -1.063 1.00 31.42 H new ATOM 0 HD3 LYS A 20 0.566 20.177 -2.419 1.00 31.42 H new ATOM 0 HE2 LYS A 20 -1.188 21.974 -2.723 1.00 14.14 H new ATOM 0 HE3 LYS A 20 -2.001 21.380 -1.289 1.00 14.14 H new ATOM 0 HZ1 LYS A 20 -0.547 23.215 -0.775 1.00 71.41 H new ATOM 0 HZ2 LYS A 20 0.004 21.802 -0.010 1.00 71.41 H new ATOM 0 HZ3 LYS A 20 0.792 22.378 -1.400 1.00 71.41 H new ATOM 452 N ALA A 21 -4.881 16.683 -1.111 1.00 70.25 N ATOM 453 CA ALA A 21 -6.209 16.380 -0.572 1.00 31.14 C ATOM 454 C ALA A 21 -6.166 15.810 0.856 1.00 31.42 C ATOM 455 O ALA A 21 -7.002 16.205 1.668 1.00 52.22 O ATOM 456 CB ALA A 21 -6.961 15.436 -1.522 1.00 4.31 C ATOM 0 H ALA A 21 -4.589 16.039 -1.846 1.00 70.25 H new ATOM 0 HA ALA A 21 -6.749 17.324 -0.502 1.00 31.14 H new ATOM 0 HB1 ALA A 21 -7.947 15.217 -1.112 1.00 4.31 H new ATOM 0 HB2 ALA A 21 -7.071 15.912 -2.496 1.00 4.31 H new ATOM 0 HB3 ALA A 21 -6.400 14.508 -1.633 1.00 4.31 H new ATOM 462 N ILE A 22 -5.177 14.945 1.154 1.00 64.42 N ATOM 463 CA ILE A 22 -4.916 14.443 2.511 1.00 53.33 C ATOM 464 C ILE A 22 -4.123 15.442 3.388 1.00 74.23 C ATOM 465 O ILE A 22 -4.053 15.235 4.599 1.00 51.23 O ATOM 466 CB ILE A 22 -4.212 13.055 2.524 1.00 34.13 C ATOM 467 CG1 ILE A 22 -2.758 13.048 2.006 1.00 63.24 C ATOM 468 CG2 ILE A 22 -5.076 11.995 1.810 1.00 10.14 C ATOM 469 CD1 ILE A 22 -2.037 11.709 2.223 1.00 61.52 C ATOM 0 H ILE A 22 -4.535 14.575 0.454 1.00 64.42 H new ATOM 0 HA ILE A 22 -5.907 14.323 2.949 1.00 53.33 H new ATOM 0 HB ILE A 22 -4.120 12.793 3.578 1.00 34.13 H new ATOM 0 HG12 ILE A 22 -2.759 13.283 0.942 1.00 63.24 H new ATOM 0 HG13 ILE A 22 -2.198 13.838 2.507 1.00 63.24 H new ATOM 0 HG21 ILE A 22 -4.564 11.033 1.832 1.00 10.14 H new ATOM 0 HG22 ILE A 22 -6.036 11.906 2.318 1.00 10.14 H new ATOM 0 HG23 ILE A 22 -5.239 12.296 0.775 1.00 10.14 H new ATOM 0 HD11 ILE A 22 -1.020 11.776 1.835 1.00 61.52 H new ATOM 0 HD12 ILE A 22 -2.005 11.482 3.289 1.00 61.52 H new ATOM 0 HD13 ILE A 22 -2.574 10.918 1.699 1.00 61.52 H new ATOM 481 N GLY A 23 -3.598 16.526 2.786 1.00 43.03 N ATOM 482 CA GLY A 23 -3.114 17.697 3.512 1.00 24.22 C ATOM 483 C GLY A 23 -1.655 17.584 3.976 1.00 33.24 C ATOM 484 O GLY A 23 -1.314 18.188 4.993 1.00 54.20 O ATOM 0 H GLY A 23 -3.501 16.606 1.774 1.00 43.03 H new ATOM 0 HA2 GLY A 23 -3.215 18.575 2.874 1.00 24.22 H new ATOM 0 HA3 GLY A 23 -3.750 17.861 4.382 1.00 24.22 H new ATOM 488 N LEU A 24 -0.790 16.854 3.247 1.00 41.30 N ATOM 489 CA LEU A 24 0.665 16.861 3.465 1.00 1.32 C ATOM 490 C LEU A 24 1.284 18.234 3.100 1.00 71.32 C ATOM 491 O LEU A 24 0.725 18.936 2.253 1.00 51.04 O ATOM 492 CB LEU A 24 1.307 15.724 2.636 1.00 61.22 C ATOM 493 CG LEU A 24 1.068 14.315 3.217 1.00 65.05 C ATOM 494 CD1 LEU A 24 1.470 13.250 2.190 1.00 2.04 C ATOM 495 CD2 LEU A 24 1.803 14.091 4.552 1.00 64.15 C ATOM 0 H LEU A 24 -1.084 16.241 2.487 1.00 41.30 H new ATOM 0 HA LEU A 24 0.866 16.693 4.523 1.00 1.32 H new ATOM 0 HB2 LEU A 24 0.911 15.760 1.621 1.00 61.22 H new ATOM 0 HB3 LEU A 24 2.380 15.900 2.566 1.00 61.22 H new ATOM 0 HG LEU A 24 0.003 14.228 3.431 1.00 65.05 H new ATOM 0 HD11 LEU A 24 1.298 12.258 2.608 1.00 2.04 H new ATOM 0 HD12 LEU A 24 0.872 13.372 1.287 1.00 2.04 H new ATOM 0 HD13 LEU A 24 2.526 13.362 1.944 1.00 2.04 H new ATOM 0 HD21 LEU A 24 1.599 13.084 4.915 1.00 64.15 H new ATOM 0 HD22 LEU A 24 2.876 14.213 4.402 1.00 64.15 H new ATOM 0 HD23 LEU A 24 1.455 14.818 5.286 1.00 64.15 H new ATOM 507 N PRO A 25 2.424 18.604 3.734 1.00 51.42 N ATOM 508 CA PRO A 25 3.113 19.876 3.448 1.00 64.41 C ATOM 509 C PRO A 25 3.728 19.900 2.040 1.00 52.34 C ATOM 510 O PRO A 25 4.179 18.860 1.561 1.00 25.31 O ATOM 511 CB PRO A 25 4.193 19.956 4.539 1.00 42.32 C ATOM 512 CG PRO A 25 4.510 18.511 4.869 1.00 45.43 C ATOM 513 CD PRO A 25 3.155 17.827 4.737 1.00 10.24 C ATOM 0 HA PRO A 25 2.432 20.727 3.462 1.00 64.41 H new ATOM 0 HB2 PRO A 25 5.077 20.485 4.183 1.00 42.32 H new ATOM 0 HB3 PRO A 25 3.832 20.493 5.416 1.00 42.32 H new ATOM 0 HG2 PRO A 25 5.243 18.091 4.181 1.00 45.43 H new ATOM 0 HG3 PRO A 25 4.919 18.406 5.874 1.00 45.43 H new ATOM 0 HD2 PRO A 25 3.268 16.789 4.424 1.00 10.24 H new ATOM 0 HD3 PRO A 25 2.625 17.817 5.690 1.00 10.24 H new ATOM 521 N GLU A 26 3.727 21.089 1.415 1.00 15.43 N ATOM 522 CA GLU A 26 4.215 21.358 0.058 1.00 32.41 C ATOM 523 C GLU A 26 5.636 20.827 -0.237 1.00 20.45 C ATOM 524 O GLU A 26 5.869 20.359 -1.349 1.00 41.02 O ATOM 525 CB GLU A 26 4.016 22.863 -0.240 1.00 40.32 C ATOM 526 CG GLU A 26 4.470 23.372 -1.629 1.00 11.11 C ATOM 527 CD GLU A 26 5.760 24.198 -1.580 1.00 71.15 C ATOM 528 OE1 GLU A 26 5.657 25.421 -1.815 1.00 30.22 O ATOM 529 OE2 GLU A 26 6.821 23.598 -1.302 1.00 51.31 O1- ATOM 0 H GLU A 26 3.367 21.929 1.868 1.00 15.43 H new ATOM 0 HA GLU A 26 3.619 20.778 -0.647 1.00 32.41 H new ATOM 0 HB2 GLU A 26 2.957 23.094 -0.125 1.00 40.32 H new ATOM 0 HB3 GLU A 26 4.551 23.432 0.520 1.00 40.32 H new ATOM 0 HG2 GLU A 26 4.618 22.518 -2.290 1.00 11.11 H new ATOM 0 HG3 GLU A 26 3.675 23.978 -2.064 1.00 11.11 H new ATOM 536 N GLU A 27 6.516 20.821 0.783 1.00 72.42 N ATOM 537 CA GLU A 27 7.830 20.174 0.782 1.00 12.31 C ATOM 538 C GLU A 27 7.772 18.683 0.394 1.00 42.50 C ATOM 539 O GLU A 27 8.455 18.287 -0.548 1.00 21.24 O ATOM 540 CB GLU A 27 8.496 20.379 2.163 1.00 3.21 C ATOM 541 CG GLU A 27 9.860 19.669 2.349 1.00 35.22 C ATOM 542 CD GLU A 27 10.447 19.812 3.754 1.00 64.24 C ATOM 543 OE1 GLU A 27 10.074 20.776 4.458 1.00 75.20 O ATOM 544 OE2 GLU A 27 11.270 18.936 4.102 1.00 2.32 O1- ATOM 0 H GLU A 27 6.315 21.290 1.667 1.00 72.42 H new ATOM 0 HA GLU A 27 8.437 20.647 0.010 1.00 12.31 H new ATOM 0 HB2 GLU A 27 8.635 21.448 2.326 1.00 3.21 H new ATOM 0 HB3 GLU A 27 7.812 20.025 2.935 1.00 3.21 H new ATOM 0 HG2 GLU A 27 9.741 18.610 2.122 1.00 35.22 H new ATOM 0 HG3 GLU A 27 10.570 20.072 1.627 1.00 35.22 H new ATOM 551 N LEU A 28 6.953 17.901 1.123 1.00 51.31 N ATOM 552 CA LEU A 28 6.765 16.464 0.915 1.00 65.54 C ATOM 553 C LEU A 28 6.083 16.112 -0.418 1.00 32.34 C ATOM 554 O LEU A 28 6.380 15.043 -0.950 1.00 40.54 O ATOM 555 CB LEU A 28 6.010 15.830 2.105 1.00 15.54 C ATOM 556 CG LEU A 28 6.826 15.747 3.417 1.00 40.12 C ATOM 557 CD1 LEU A 28 5.963 15.182 4.564 1.00 40.45 C ATOM 558 CD2 LEU A 28 8.137 14.949 3.252 1.00 71.15 C ATOM 0 H LEU A 28 6.392 18.267 1.892 1.00 51.31 H new ATOM 0 HA LEU A 28 7.766 16.037 0.858 1.00 65.54 H new ATOM 0 HB2 LEU A 28 5.104 16.407 2.292 1.00 15.54 H new ATOM 0 HB3 LEU A 28 5.695 14.825 1.824 1.00 15.54 H new ATOM 0 HG LEU A 28 7.117 16.765 3.676 1.00 40.12 H new ATOM 0 HD11 LEU A 28 6.557 15.133 5.476 1.00 40.45 H new ATOM 0 HD12 LEU A 28 5.103 15.832 4.726 1.00 40.45 H new ATOM 0 HD13 LEU A 28 5.618 14.182 4.301 1.00 40.45 H new ATOM 0 HD21 LEU A 28 8.669 14.923 4.203 1.00 71.15 H new ATOM 0 HD22 LEU A 28 7.906 13.931 2.937 1.00 71.15 H new ATOM 0 HD23 LEU A 28 8.763 15.429 2.499 1.00 71.15 H new ATOM 570 N ILE A 29 5.236 17.009 -0.958 1.00 13.23 N ATOM 571 CA ILE A 29 4.687 16.866 -2.310 1.00 61.03 C ATOM 572 C ILE A 29 5.760 17.118 -3.385 1.00 61.24 C ATOM 573 O ILE A 29 5.921 16.265 -4.251 1.00 44.33 O ATOM 574 CB ILE A 29 3.418 17.742 -2.581 1.00 42.33 C ATOM 575 CG1 ILE A 29 2.201 17.184 -1.811 1.00 62.41 C ATOM 576 CG2 ILE A 29 3.010 17.812 -4.070 1.00 63.41 C ATOM 577 CD1 ILE A 29 2.024 17.704 -0.389 1.00 23.43 C ATOM 0 H ILE A 29 4.918 17.846 -0.469 1.00 13.23 H new ATOM 0 HA ILE A 29 4.357 15.829 -2.374 1.00 61.03 H new ATOM 0 HB ILE A 29 3.694 18.742 -2.248 1.00 42.33 H new ATOM 0 HG12 ILE A 29 1.299 17.415 -2.378 1.00 62.41 H new ATOM 0 HG13 ILE A 29 2.285 16.098 -1.773 1.00 62.41 H new ATOM 0 HG21 ILE A 29 2.123 18.437 -4.175 1.00 63.41 H new ATOM 0 HG22 ILE A 29 3.827 18.240 -4.651 1.00 63.41 H new ATOM 0 HG23 ILE A 29 2.792 16.808 -4.435 1.00 63.41 H new ATOM 0 HD11 ILE A 29 1.141 17.248 0.058 1.00 23.43 H new ATOM 0 HD12 ILE A 29 2.903 17.450 0.203 1.00 23.43 H new ATOM 0 HD13 ILE A 29 1.902 18.787 -0.410 1.00 23.43 H new ATOM 589 N GLN A 30 6.476 18.254 -3.313 1.00 73.04 N ATOM 590 CA GLN A 30 7.467 18.642 -4.323 1.00 71.00 C ATOM 591 C GLN A 30 8.707 17.739 -4.385 1.00 2.13 C ATOM 592 O GLN A 30 9.173 17.463 -5.489 1.00 63.11 O ATOM 593 CB GLN A 30 7.842 20.137 -4.182 1.00 31.43 C ATOM 594 CG GLN A 30 6.712 21.137 -4.524 1.00 43.50 C ATOM 595 CD GLN A 30 6.040 20.874 -5.876 1.00 43.21 C ATOM 596 OE1 GLN A 30 6.689 20.926 -6.918 1.00 42.35 O ATOM 597 NE2 GLN A 30 4.742 20.570 -5.854 1.00 51.30 N ATOM 0 H GLN A 30 6.381 18.926 -2.552 1.00 73.04 H new ATOM 0 HA GLN A 30 6.979 18.494 -5.286 1.00 71.00 H new ATOM 0 HB2 GLN A 30 8.167 20.318 -3.157 1.00 31.43 H new ATOM 0 HB3 GLN A 30 8.695 20.343 -4.828 1.00 31.43 H new ATOM 0 HG2 GLN A 30 5.956 21.098 -3.740 1.00 43.50 H new ATOM 0 HG3 GLN A 30 7.121 22.147 -4.523 1.00 43.50 H new ATOM 0 HE21 GLN A 30 4.241 20.538 -4.966 1.00 51.30 H new ATOM 0 HE22 GLN A 30 4.250 20.370 -6.725 1.00 51.30 H new ATOM 606 N LYS A 31 9.183 17.242 -3.231 1.00 15.24 N ATOM 607 CA LYS A 31 10.249 16.237 -3.179 1.00 32.41 C ATOM 608 C LYS A 31 9.722 14.826 -3.505 1.00 15.54 C ATOM 609 O LYS A 31 10.516 13.996 -3.932 1.00 25.33 O ATOM 610 CB LYS A 31 10.981 16.320 -1.816 1.00 61.25 C ATOM 611 CG LYS A 31 10.283 15.654 -0.611 1.00 25.12 C ATOM 612 CD LYS A 31 10.626 14.161 -0.406 1.00 14.14 C ATOM 613 CE LYS A 31 11.134 13.828 1.004 1.00 54.24 C ATOM 614 NZ LYS A 31 12.390 14.532 1.319 1.00 12.45 N1+ ATOM 0 H LYS A 31 8.839 17.526 -2.314 1.00 15.24 H new ATOM 0 HA LYS A 31 10.982 16.454 -3.956 1.00 32.41 H new ATOM 0 HB2 LYS A 31 11.966 15.868 -1.931 1.00 61.25 H new ATOM 0 HB3 LYS A 31 11.139 17.372 -1.579 1.00 61.25 H new ATOM 0 HG2 LYS A 31 10.550 16.201 0.293 1.00 25.12 H new ATOM 0 HG3 LYS A 31 9.204 15.751 -0.735 1.00 25.12 H new ATOM 0 HD2 LYS A 31 9.739 13.563 -0.613 1.00 14.14 H new ATOM 0 HD3 LYS A 31 11.384 13.869 -1.133 1.00 14.14 H new ATOM 0 HE2 LYS A 31 10.373 14.098 1.737 1.00 54.24 H new ATOM 0 HE3 LYS A 31 11.290 12.753 1.088 1.00 54.24 H new ATOM 0 HZ1 LYS A 31 12.839 14.088 2.145 1.00 12.45 H new ATOM 0 HZ2 LYS A 31 13.033 14.476 0.504 1.00 12.45 H new ATOM 0 HZ3 LYS A 31 12.185 15.529 1.531 1.00 12.45 H new ATOM 628 N GLY A 32 8.417 14.569 -3.308 1.00 25.23 N ATOM 629 CA GLY A 32 7.803 13.264 -3.541 1.00 2.20 C ATOM 630 C GLY A 32 7.485 13.035 -5.028 1.00 32.41 C ATOM 631 O GLY A 32 7.560 11.892 -5.481 1.00 51.50 O ATOM 0 H GLY A 32 7.758 15.274 -2.979 1.00 25.23 H new ATOM 0 HA2 GLY A 32 8.473 12.480 -3.188 1.00 2.20 H new ATOM 0 HA3 GLY A 32 6.886 13.185 -2.958 1.00 2.20 H new ATOM 635 N LYS A 33 7.147 14.097 -5.782 1.00 23.43 N ATOM 636 CA LYS A 33 6.938 14.051 -7.233 1.00 13.23 C ATOM 637 C LYS A 33 8.248 14.137 -8.030 1.00 61.53 C ATOM 638 O LYS A 33 8.297 13.587 -9.130 1.00 51.30 O ATOM 639 CB LYS A 33 5.891 15.095 -7.690 1.00 51.13 C ATOM 640 CG LYS A 33 6.179 16.570 -7.344 1.00 0.44 C ATOM 641 CD LYS A 33 6.257 17.526 -8.543 1.00 73.42 C ATOM 642 CE LYS A 33 7.558 17.402 -9.346 1.00 35.11 C ATOM 643 NZ LYS A 33 7.632 18.433 -10.393 1.00 72.55 N1+ ATOM 0 H LYS A 33 7.010 15.028 -5.388 1.00 23.43 H new ATOM 0 HA LYS A 33 6.526 13.067 -7.459 1.00 13.23 H new ATOM 0 HB2 LYS A 33 5.782 15.015 -8.772 1.00 51.13 H new ATOM 0 HB3 LYS A 33 4.930 14.825 -7.252 1.00 51.13 H new ATOM 0 HG2 LYS A 33 5.401 16.925 -6.668 1.00 0.44 H new ATOM 0 HG3 LYS A 33 7.122 16.620 -6.799 1.00 0.44 H new ATOM 0 HD2 LYS A 33 5.412 17.335 -9.205 1.00 73.42 H new ATOM 0 HD3 LYS A 33 6.157 18.551 -8.186 1.00 73.42 H new ATOM 0 HE2 LYS A 33 8.413 17.496 -8.677 1.00 35.11 H new ATOM 0 HE3 LYS A 33 7.616 16.413 -9.800 1.00 35.11 H new ATOM 0 HZ1 LYS A 33 8.521 18.328 -10.922 1.00 72.55 H new ATOM 0 HZ2 LYS A 33 6.828 18.326 -11.043 1.00 72.55 H new ATOM 0 HZ3 LYS A 33 7.600 19.376 -9.955 1.00 72.55 H new ATOM 657 N ASP A 34 9.273 14.809 -7.478 1.00 50.54 N ATOM 658 CA ASP A 34 10.571 15.001 -8.126 1.00 73.22 C ATOM 659 C ASP A 34 11.478 13.784 -7.859 1.00 31.32 C ATOM 660 O ASP A 34 11.875 13.115 -8.814 1.00 61.12 O ATOM 661 CB ASP A 34 11.218 16.341 -7.693 1.00 22.05 C ATOM 662 CG ASP A 34 12.346 16.860 -8.596 1.00 5.32 C ATOM 663 OD1 ASP A 34 12.703 16.168 -9.574 1.00 31.22 O ATOM 664 OD2 ASP A 34 12.818 17.976 -8.295 1.00 3.34 O1- ATOM 0 H ASP A 34 9.217 15.239 -6.555 1.00 50.54 H new ATOM 0 HA ASP A 34 10.428 15.069 -9.204 1.00 73.22 H new ATOM 0 HB2 ASP A 34 10.438 17.101 -7.645 1.00 22.05 H new ATOM 0 HB3 ASP A 34 11.611 16.223 -6.683 1.00 22.05 H new ATOM 669 N ILE A 35 11.770 13.504 -6.576 1.00 12.23 N ATOM 670 CA ILE A 35 12.621 12.391 -6.151 1.00 41.32 C ATOM 671 C ILE A 35 11.770 11.112 -6.042 1.00 25.42 C ATOM 672 O ILE A 35 10.735 11.118 -5.372 1.00 2.34 O ATOM 673 CB ILE A 35 13.291 12.641 -4.762 1.00 45.03 C ATOM 674 CG1 ILE A 35 13.940 14.042 -4.644 1.00 53.41 C ATOM 675 CG2 ILE A 35 14.296 11.537 -4.366 1.00 41.45 C ATOM 676 CD1 ILE A 35 14.983 14.372 -5.723 1.00 5.42 C ATOM 0 H ILE A 35 11.413 14.057 -5.797 1.00 12.23 H new ATOM 0 HA ILE A 35 13.408 12.291 -6.898 1.00 41.32 H new ATOM 0 HB ILE A 35 12.468 12.603 -4.048 1.00 45.03 H new ATOM 0 HG12 ILE A 35 13.152 14.794 -4.681 1.00 53.41 H new ATOM 0 HG13 ILE A 35 14.414 14.124 -3.666 1.00 53.41 H new ATOM 0 HG21 ILE A 35 14.726 11.769 -3.392 1.00 41.45 H new ATOM 0 HG22 ILE A 35 13.781 10.577 -4.316 1.00 41.45 H new ATOM 0 HG23 ILE A 35 15.090 11.484 -5.110 1.00 41.45 H new ATOM 0 HD11 ILE A 35 15.378 15.374 -5.553 1.00 5.42 H new ATOM 0 HD12 ILE A 35 15.797 13.648 -5.676 1.00 5.42 H new ATOM 0 HD13 ILE A 35 14.515 14.329 -6.707 1.00 5.42 H new ATOM 688 N LYS A 36 12.239 10.039 -6.696 1.00 22.42 N ATOM 689 CA LYS A 36 11.628 8.712 -6.648 1.00 71.21 C ATOM 690 C LYS A 36 12.063 7.958 -5.381 1.00 4.44 C ATOM 691 O LYS A 36 13.238 8.000 -5.013 1.00 43.34 O ATOM 692 CB LYS A 36 11.979 7.927 -7.934 1.00 63.15 C ATOM 693 CG LYS A 36 11.021 8.183 -9.116 1.00 0.11 C ATOM 694 CD LYS A 36 11.144 9.579 -9.757 1.00 54.43 C ATOM 695 CE LYS A 36 10.081 9.863 -10.831 1.00 3.34 C ATOM 696 NZ LYS A 36 10.172 8.936 -11.972 1.00 51.25 N1+ ATOM 0 H LYS A 36 13.072 10.075 -7.284 1.00 22.42 H new ATOM 0 HA LYS A 36 10.544 8.817 -6.601 1.00 71.21 H new ATOM 0 HB2 LYS A 36 12.992 8.188 -8.240 1.00 63.15 H new ATOM 0 HB3 LYS A 36 11.979 6.861 -7.706 1.00 63.15 H new ATOM 0 HG2 LYS A 36 11.203 7.430 -9.882 1.00 0.11 H new ATOM 0 HG3 LYS A 36 9.996 8.046 -8.771 1.00 0.11 H new ATOM 0 HD2 LYS A 36 11.069 10.335 -8.976 1.00 54.43 H new ATOM 0 HD3 LYS A 36 12.134 9.678 -10.203 1.00 54.43 H new ATOM 0 HE2 LYS A 36 9.089 9.789 -10.385 1.00 3.34 H new ATOM 0 HE3 LYS A 36 10.194 10.887 -11.188 1.00 3.34 H new ATOM 0 HZ1 LYS A 36 9.878 9.425 -12.841 1.00 51.25 H new ATOM 0 HZ2 LYS A 36 11.153 8.607 -12.075 1.00 51.25 H new ATOM 0 HZ3 LYS A 36 9.549 8.120 -11.807 1.00 51.25 H new ATOM 710 N GLY A 37 11.096 7.266 -4.762 1.00 2.05 N ATOM 711 CA GLY A 37 11.298 6.447 -3.571 1.00 32.21 C ATOM 712 C GLY A 37 11.745 5.027 -3.947 1.00 11.23 C ATOM 713 O GLY A 37 12.056 4.719 -5.100 1.00 34.23 O ATOM 0 H GLY A 37 10.130 7.264 -5.088 1.00 2.05 H new ATOM 0 HA2 GLY A 37 12.048 6.910 -2.930 1.00 32.21 H new ATOM 0 HA3 GLY A 37 10.373 6.400 -2.996 1.00 32.21 H new ATOM 717 N VAL A 38 11.772 4.159 -2.929 1.00 23.15 N ATOM 718 CA VAL A 38 12.083 2.733 -3.027 1.00 73.42 C ATOM 719 C VAL A 38 11.062 1.983 -2.143 1.00 44.22 C ATOM 720 O VAL A 38 10.539 2.563 -1.195 1.00 3.40 O ATOM 721 CB VAL A 38 13.542 2.441 -2.544 1.00 61.42 C ATOM 722 CG1 VAL A 38 13.959 0.960 -2.601 1.00 1.10 C ATOM 723 CG2 VAL A 38 14.588 3.273 -3.312 1.00 41.14 C ATOM 0 H VAL A 38 11.568 4.447 -1.972 1.00 23.15 H new ATOM 0 HA VAL A 38 12.018 2.402 -4.064 1.00 73.42 H new ATOM 0 HB VAL A 38 13.521 2.734 -1.494 1.00 61.42 H new ATOM 0 HG11 VAL A 38 14.985 0.857 -2.247 1.00 1.10 H new ATOM 0 HG12 VAL A 38 13.296 0.371 -1.968 1.00 1.10 H new ATOM 0 HG13 VAL A 38 13.892 0.602 -3.629 1.00 1.10 H new ATOM 0 HG21 VAL A 38 15.585 3.036 -2.941 1.00 41.14 H new ATOM 0 HG22 VAL A 38 14.531 3.038 -4.375 1.00 41.14 H new ATOM 0 HG23 VAL A 38 14.389 4.334 -3.164 1.00 41.14 H new ATOM 733 N SER A 39 10.758 0.722 -2.467 1.00 55.12 N ATOM 734 CA SER A 39 9.830 -0.108 -1.699 1.00 32.20 C ATOM 735 C SER A 39 10.312 -1.560 -1.699 1.00 25.20 C ATOM 736 O SER A 39 10.871 -2.007 -2.692 1.00 12.25 O ATOM 737 CB SER A 39 8.411 -0.003 -2.299 1.00 61.43 C ATOM 738 OG SER A 39 7.758 1.173 -1.865 1.00 30.44 O ATOM 0 H SER A 39 11.154 0.246 -3.278 1.00 55.12 H new ATOM 0 HA SER A 39 9.796 0.246 -0.669 1.00 32.20 H new ATOM 0 HB2 SER A 39 8.472 -0.007 -3.387 1.00 61.43 H new ATOM 0 HB3 SER A 39 7.825 -0.875 -2.009 1.00 61.43 H new ATOM 0 HG SER A 39 8.426 1.836 -1.590 1.00 30.44 H new ATOM 744 N GLU A 40 10.051 -2.291 -0.611 1.00 0.52 N ATOM 745 CA GLU A 40 10.302 -3.727 -0.536 1.00 41.33 C ATOM 746 C GLU A 40 9.031 -4.411 -0.052 1.00 33.01 C ATOM 747 O GLU A 40 8.304 -3.849 0.764 1.00 10.34 O ATOM 748 CB GLU A 40 11.513 -4.008 0.383 1.00 3.20 C ATOM 749 CG GLU A 40 12.046 -5.451 0.325 1.00 1.11 C ATOM 750 CD GLU A 40 13.312 -5.646 1.158 1.00 53.23 C ATOM 751 OE1 GLU A 40 13.374 -5.071 2.267 1.00 2.42 O ATOM 752 OE2 GLU A 40 14.205 -6.366 0.661 1.00 22.13 O1- ATOM 0 H GLU A 40 9.658 -1.898 0.244 1.00 0.52 H new ATOM 0 HA GLU A 40 10.557 -4.129 -1.517 1.00 41.33 H new ATOM 0 HB2 GLU A 40 12.320 -3.326 0.115 1.00 3.20 H new ATOM 0 HB3 GLU A 40 11.232 -3.781 1.411 1.00 3.20 H new ATOM 0 HG2 GLU A 40 11.274 -6.134 0.680 1.00 1.11 H new ATOM 0 HG3 GLU A 40 12.254 -5.716 -0.712 1.00 1.11 H new ATOM 759 N ILE A 41 8.805 -5.626 -0.556 1.00 21.23 N ATOM 760 CA ILE A 41 7.758 -6.510 -0.073 1.00 11.11 C ATOM 761 C ILE A 41 8.469 -7.808 0.341 1.00 1.33 C ATOM 762 O ILE A 41 9.378 -8.251 -0.359 1.00 2.42 O ATOM 763 CB ILE A 41 6.697 -6.844 -1.162 1.00 14.45 C ATOM 764 CG1 ILE A 41 6.238 -5.605 -1.973 1.00 73.42 C ATOM 765 CG2 ILE A 41 5.462 -7.489 -0.510 1.00 42.00 C ATOM 766 CD1 ILE A 41 5.338 -5.950 -3.171 1.00 72.04 C ATOM 0 H ILE A 41 9.353 -6.022 -1.319 1.00 21.23 H new ATOM 0 HA ILE A 41 7.221 -6.027 0.744 1.00 11.11 H new ATOM 0 HB ILE A 41 7.180 -7.532 -1.856 1.00 14.45 H new ATOM 0 HG12 ILE A 41 5.701 -4.926 -1.310 1.00 73.42 H new ATOM 0 HG13 ILE A 41 7.117 -5.071 -2.332 1.00 73.42 H new ATOM 0 HG21 ILE A 41 4.724 -7.720 -1.278 1.00 42.00 H new ATOM 0 HG22 ILE A 41 5.757 -8.407 -0.002 1.00 42.00 H new ATOM 0 HG23 ILE A 41 5.029 -6.797 0.213 1.00 42.00 H new ATOM 0 HD11 ILE A 41 5.057 -5.034 -3.690 1.00 72.04 H new ATOM 0 HD12 ILE A 41 5.878 -6.604 -3.856 1.00 72.04 H new ATOM 0 HD13 ILE A 41 4.440 -6.457 -2.818 1.00 72.04 H new ATOM 778 N VAL A 42 8.064 -8.378 1.482 1.00 51.41 N ATOM 779 CA VAL A 42 8.624 -9.613 2.025 1.00 23.01 C ATOM 780 C VAL A 42 7.459 -10.547 2.386 1.00 3.20 C ATOM 781 O VAL A 42 6.454 -10.083 2.919 1.00 70.04 O ATOM 782 CB VAL A 42 9.500 -9.325 3.280 1.00 64.41 C ATOM 783 CG1 VAL A 42 9.935 -10.575 4.074 1.00 21.22 C ATOM 784 CG2 VAL A 42 10.733 -8.471 2.931 1.00 14.34 C ATOM 0 H VAL A 42 7.324 -7.983 2.062 1.00 51.41 H new ATOM 0 HA VAL A 42 9.268 -10.083 1.281 1.00 23.01 H new ATOM 0 HB VAL A 42 8.838 -8.764 3.940 1.00 64.41 H new ATOM 0 HG11 VAL A 42 10.540 -10.271 4.928 1.00 21.22 H new ATOM 0 HG12 VAL A 42 9.052 -11.108 4.426 1.00 21.22 H new ATOM 0 HG13 VAL A 42 10.521 -11.230 3.429 1.00 21.22 H new ATOM 0 HG21 VAL A 42 11.319 -8.292 3.833 1.00 14.34 H new ATOM 0 HG22 VAL A 42 11.345 -8.998 2.199 1.00 14.34 H new ATOM 0 HG23 VAL A 42 10.409 -7.518 2.513 1.00 14.34 H new ATOM 794 N GLN A 43 7.615 -11.840 2.065 1.00 45.20 N ATOM 795 CA GLN A 43 6.609 -12.881 2.267 1.00 44.04 C ATOM 796 C GLN A 43 7.260 -14.052 3.005 1.00 71.32 C ATOM 797 O GLN A 43 8.288 -14.557 2.555 1.00 74.35 O ATOM 798 CB GLN A 43 6.045 -13.303 0.892 1.00 3.31 C ATOM 799 CG GLN A 43 5.012 -14.450 0.914 1.00 64.03 C ATOM 800 CD GLN A 43 4.764 -14.999 -0.491 1.00 22.32 C ATOM 801 OE1 GLN A 43 3.936 -14.478 -1.234 1.00 11.34 O ATOM 802 NE2 GLN A 43 5.488 -16.054 -0.867 1.00 42.23 N ATOM 0 H GLN A 43 8.473 -12.196 1.645 1.00 45.20 H new ATOM 0 HA GLN A 43 5.778 -12.519 2.873 1.00 44.04 H new ATOM 0 HB2 GLN A 43 5.583 -12.432 0.427 1.00 3.31 H new ATOM 0 HB3 GLN A 43 6.878 -13.601 0.255 1.00 3.31 H new ATOM 0 HG2 GLN A 43 5.368 -15.251 1.562 1.00 64.03 H new ATOM 0 HG3 GLN A 43 4.074 -14.090 1.337 1.00 64.03 H new ATOM 0 HE21 GLN A 43 6.167 -16.462 -0.224 1.00 42.23 H new ATOM 0 HE22 GLN A 43 5.363 -16.453 -1.797 1.00 42.23 H new ATOM 811 N ASN A 44 6.610 -14.482 4.096 1.00 2.11 N ATOM 812 CA ASN A 44 7.000 -15.640 4.895 1.00 73.01 C ATOM 813 C ASN A 44 5.726 -16.417 5.245 1.00 14.21 C ATOM 814 O ASN A 44 5.188 -16.291 6.345 1.00 13.54 O ATOM 815 CB ASN A 44 7.922 -15.234 6.082 1.00 31.31 C ATOM 816 CG ASN A 44 7.383 -14.179 7.058 1.00 43.35 C ATOM 817 OD1 ASN A 44 6.946 -14.516 8.156 1.00 51.43 O ATOM 818 ND2 ASN A 44 7.442 -12.898 6.685 1.00 60.41 N ATOM 0 H ASN A 44 5.775 -14.017 4.452 1.00 2.11 H new ATOM 0 HA ASN A 44 7.636 -16.328 4.338 1.00 73.01 H new ATOM 0 HB2 ASN A 44 8.156 -16.133 6.652 1.00 31.31 H new ATOM 0 HB3 ASN A 44 8.861 -14.865 5.670 1.00 31.31 H new ATOM 0 HD21 ASN A 44 7.119 -12.167 7.319 1.00 60.41 H new ATOM 0 HD22 ASN A 44 7.810 -12.651 5.766 1.00 60.41 H new ATOM 825 N GLY A 45 5.246 -17.190 4.255 1.00 43.22 N ATOM 826 CA GLY A 45 4.004 -17.955 4.330 1.00 0.52 C ATOM 827 C GLY A 45 2.813 -16.989 4.291 1.00 45.51 C ATOM 828 O GLY A 45 2.708 -16.166 3.382 1.00 72.23 O ATOM 0 H GLY A 45 5.728 -17.298 3.362 1.00 43.22 H new ATOM 0 HA2 GLY A 45 3.945 -18.658 3.499 1.00 0.52 H new ATOM 0 HA3 GLY A 45 3.980 -18.544 5.247 1.00 0.52 H new ATOM 832 N LYS A 46 1.927 -17.117 5.288 1.00 30.04 N ATOM 833 CA LYS A 46 0.762 -16.256 5.507 1.00 51.45 C ATOM 834 C LYS A 46 1.104 -14.800 5.893 1.00 0.32 C ATOM 835 O LYS A 46 0.275 -13.922 5.650 1.00 74.42 O ATOM 836 CB LYS A 46 -0.158 -16.924 6.563 1.00 21.31 C ATOM 837 CG LYS A 46 -1.492 -17.458 6.019 1.00 1.33 C ATOM 838 CD LYS A 46 -2.402 -16.373 5.416 1.00 73.32 C ATOM 839 CE LYS A 46 -3.844 -16.850 5.186 1.00 1.34 C ATOM 840 NZ LYS A 46 -4.586 -16.953 6.455 1.00 43.32 N1+ ATOM 0 H LYS A 46 2.007 -17.852 5.990 1.00 30.04 H new ATOM 0 HA LYS A 46 0.244 -16.164 4.552 1.00 51.45 H new ATOM 0 HB2 LYS A 46 0.384 -17.749 7.025 1.00 21.31 H new ATOM 0 HB3 LYS A 46 -0.368 -16.200 7.350 1.00 21.31 H new ATOM 0 HG2 LYS A 46 -1.287 -18.210 5.257 1.00 1.33 H new ATOM 0 HG3 LYS A 46 -2.027 -17.959 6.826 1.00 1.33 H new ATOM 0 HD2 LYS A 46 -2.414 -15.508 6.080 1.00 73.32 H new ATOM 0 HD3 LYS A 46 -1.981 -16.041 4.467 1.00 73.32 H new ATOM 0 HE2 LYS A 46 -4.356 -16.157 4.519 1.00 1.34 H new ATOM 0 HE3 LYS A 46 -3.833 -17.820 4.690 1.00 1.34 H new ATOM 0 HZ1 LYS A 46 -5.426 -17.550 6.318 1.00 43.32 H new ATOM 0 HZ2 LYS A 46 -3.974 -17.377 7.181 1.00 43.32 H new ATOM 0 HZ3 LYS A 46 -4.882 -16.004 6.762 1.00 43.32 H new ATOM 854 N HIS A 47 2.295 -14.572 6.477 1.00 24.14 N ATOM 855 CA HIS A 47 2.792 -13.246 6.850 1.00 22.41 C ATOM 856 C HIS A 47 3.312 -12.461 5.633 1.00 14.04 C ATOM 857 O HIS A 47 3.886 -13.045 4.711 1.00 43.50 O ATOM 858 CB HIS A 47 3.891 -13.370 7.932 1.00 50.02 C ATOM 859 CG HIS A 47 3.536 -12.819 9.292 1.00 12.30 C ATOM 860 ND1 HIS A 47 2.991 -11.560 9.485 1.00 34.41 N ATOM 861 CD2 HIS A 47 3.659 -13.363 10.551 1.00 74.35 C ATOM 862 CE1 HIS A 47 2.815 -11.404 10.799 1.00 74.35 C ATOM 863 NE2 HIS A 47 3.198 -12.457 11.508 1.00 65.34 N ATOM 0 H HIS A 47 2.947 -15.323 6.705 1.00 24.14 H new ATOM 0 HA HIS A 47 1.953 -12.683 7.260 1.00 22.41 H new ATOM 0 HB2 HIS A 47 4.149 -14.423 8.043 1.00 50.02 H new ATOM 0 HB3 HIS A 47 4.785 -12.859 7.575 1.00 50.02 H new ATOM 0 HD1 HIS A 47 2.766 -10.880 8.759 1.00 34.41 H new ATOM 0 HD2 HIS A 47 4.054 -14.345 10.766 1.00 74.35 H new ATOM 0 HE1 HIS A 47 2.402 -10.509 11.241 1.00 74.35 H new ATOM 871 N PHE A 48 3.116 -11.139 5.703 1.00 64.22 N ATOM 872 CA PHE A 48 3.459 -10.154 4.686 1.00 21.45 C ATOM 873 C PHE A 48 4.063 -8.933 5.399 1.00 13.42 C ATOM 874 O PHE A 48 3.513 -8.491 6.405 1.00 2.42 O ATOM 875 CB PHE A 48 2.159 -9.800 3.933 1.00 52.14 C ATOM 876 CG PHE A 48 2.260 -8.846 2.754 1.00 13.14 C ATOM 877 CD1 PHE A 48 2.309 -9.349 1.438 1.00 75.01 C ATOM 878 CD2 PHE A 48 2.360 -7.452 2.956 1.00 65.05 C ATOM 879 CE1 PHE A 48 2.336 -8.471 0.365 1.00 13.00 C ATOM 880 CE2 PHE A 48 2.373 -6.593 1.866 1.00 52.34 C ATOM 881 CZ PHE A 48 2.353 -7.099 0.576 1.00 60.00 C ATOM 0 H PHE A 48 2.688 -10.709 6.523 1.00 64.22 H new ATOM 0 HA PHE A 48 4.190 -10.525 3.967 1.00 21.45 H new ATOM 0 HB2 PHE A 48 1.716 -10.729 3.575 1.00 52.14 H new ATOM 0 HB3 PHE A 48 1.462 -9.371 4.652 1.00 52.14 H new ATOM 0 HD1 PHE A 48 2.325 -10.415 1.266 1.00 75.01 H new ATOM 0 HD2 PHE A 48 2.426 -7.055 3.958 1.00 65.05 H new ATOM 0 HE1 PHE A 48 2.344 -8.858 -0.643 1.00 13.00 H new ATOM 0 HE2 PHE A 48 2.399 -5.525 2.024 1.00 52.34 H new ATOM 0 HZ PHE A 48 2.351 -6.424 -0.267 1.00 60.00 H new ATOM 891 N LYS A 49 5.152 -8.396 4.836 1.00 3.35 N ATOM 892 CA LYS A 49 5.865 -7.195 5.280 1.00 52.41 C ATOM 893 C LYS A 49 5.960 -6.223 4.092 1.00 72.32 C ATOM 894 O LYS A 49 6.016 -6.678 2.947 1.00 11.52 O ATOM 895 CB LYS A 49 7.265 -7.617 5.796 1.00 41.21 C ATOM 896 CG LYS A 49 7.469 -7.561 7.320 1.00 22.14 C ATOM 897 CD LYS A 49 8.076 -6.243 7.835 1.00 12.30 C ATOM 898 CE LYS A 49 8.508 -6.327 9.309 1.00 43.24 C ATOM 899 NZ LYS A 49 9.070 -5.052 9.783 1.00 54.54 N1+ ATOM 0 H LYS A 49 5.583 -8.813 4.011 1.00 3.35 H new ATOM 0 HA LYS A 49 5.342 -6.692 6.093 1.00 52.41 H new ATOM 0 HB2 LYS A 49 7.462 -8.635 5.461 1.00 41.21 H new ATOM 0 HB3 LYS A 49 8.011 -6.977 5.326 1.00 41.21 H new ATOM 0 HG2 LYS A 49 6.507 -7.719 7.809 1.00 22.14 H new ATOM 0 HG3 LYS A 49 8.117 -8.385 7.618 1.00 22.14 H new ATOM 0 HD2 LYS A 49 8.938 -5.980 7.222 1.00 12.30 H new ATOM 0 HD3 LYS A 49 7.346 -5.442 7.719 1.00 12.30 H new ATOM 0 HE2 LYS A 49 7.651 -6.599 9.925 1.00 43.24 H new ATOM 0 HE3 LYS A 49 9.249 -7.118 9.427 1.00 43.24 H new ATOM 0 HZ1 LYS A 49 9.350 -5.146 10.780 1.00 54.54 H new ATOM 0 HZ2 LYS A 49 9.903 -4.806 9.211 1.00 54.54 H new ATOM 0 HZ3 LYS A 49 8.355 -4.303 9.693 1.00 54.54 H new ATOM 913 N PHE A 50 5.972 -4.908 4.374 1.00 44.13 N ATOM 914 CA PHE A 50 5.933 -3.863 3.348 1.00 1.25 C ATOM 915 C PHE A 50 6.743 -2.647 3.822 1.00 11.43 C ATOM 916 O PHE A 50 6.239 -1.839 4.602 1.00 12.42 O ATOM 917 CB PHE A 50 4.454 -3.512 3.048 1.00 51.44 C ATOM 918 CG PHE A 50 4.117 -2.747 1.768 1.00 4.32 C ATOM 919 CD1 PHE A 50 2.758 -2.538 1.447 1.00 73.22 C ATOM 920 CD2 PHE A 50 5.105 -2.235 0.893 1.00 72.15 C ATOM 921 CE1 PHE A 50 2.407 -1.857 0.289 1.00 21.11 C ATOM 922 CE2 PHE A 50 4.732 -1.554 -0.258 1.00 61.23 C ATOM 923 CZ PHE A 50 3.390 -1.367 -0.560 1.00 22.42 C ATOM 0 H PHE A 50 6.009 -4.544 5.326 1.00 44.13 H new ATOM 0 HA PHE A 50 6.389 -4.210 2.421 1.00 1.25 H new ATOM 0 HB2 PHE A 50 3.892 -4.446 3.031 1.00 51.44 H new ATOM 0 HB3 PHE A 50 4.078 -2.929 3.888 1.00 51.44 H new ATOM 0 HD1 PHE A 50 1.987 -2.910 2.106 1.00 73.22 H new ATOM 0 HD2 PHE A 50 6.151 -2.374 1.121 1.00 72.15 H new ATOM 0 HE1 PHE A 50 1.365 -1.708 0.048 1.00 21.11 H new ATOM 0 HE2 PHE A 50 5.491 -1.167 -0.922 1.00 61.23 H new ATOM 0 HZ PHE A 50 3.110 -0.838 -1.459 1.00 22.42 H new ATOM 933 N THR A 51 7.974 -2.536 3.299 1.00 53.25 N ATOM 934 CA THR A 51 8.839 -1.364 3.421 1.00 42.45 C ATOM 935 C THR A 51 8.469 -0.324 2.342 1.00 21.42 C ATOM 936 O THR A 51 8.281 -0.700 1.184 1.00 40.20 O ATOM 937 CB THR A 51 10.327 -1.735 3.198 1.00 72.25 C ATOM 938 OG1 THR A 51 10.688 -2.812 4.044 1.00 1.10 O ATOM 939 CG2 THR A 51 11.335 -0.599 3.435 1.00 30.11 C ATOM 0 H THR A 51 8.405 -3.289 2.762 1.00 53.25 H new ATOM 0 HA THR A 51 8.699 -0.965 4.426 1.00 42.45 H new ATOM 0 HB THR A 51 10.386 -1.993 2.140 1.00 72.25 H new ATOM 0 HG1 THR A 51 11.629 -3.042 3.897 1.00 1.10 H new ATOM 0 HG21 THR A 51 12.345 -0.965 3.252 1.00 30.11 H new ATOM 0 HG22 THR A 51 11.119 0.226 2.756 1.00 30.11 H new ATOM 0 HG23 THR A 51 11.256 -0.252 4.465 1.00 30.11 H new ATOM 947 N ILE A 52 8.384 0.956 2.731 1.00 41.33 N ATOM 948 CA ILE A 52 8.128 2.079 1.831 1.00 54.14 C ATOM 949 C ILE A 52 9.063 3.228 2.243 1.00 24.44 C ATOM 950 O ILE A 52 8.785 3.944 3.205 1.00 45.15 O ATOM 951 CB ILE A 52 6.640 2.558 1.849 1.00 74.01 C ATOM 952 CG1 ILE A 52 5.662 1.416 1.479 1.00 20.40 C ATOM 953 CG2 ILE A 52 6.404 3.773 0.921 1.00 55.04 C ATOM 954 CD1 ILE A 52 4.177 1.775 1.617 1.00 33.33 C ATOM 0 H ILE A 52 8.495 1.241 3.704 1.00 41.33 H new ATOM 0 HA ILE A 52 8.321 1.753 0.809 1.00 54.14 H new ATOM 0 HB ILE A 52 6.438 2.870 2.874 1.00 74.01 H new ATOM 0 HG12 ILE A 52 5.854 1.110 0.450 1.00 20.40 H new ATOM 0 HG13 ILE A 52 5.874 0.555 2.112 1.00 20.40 H new ATOM 0 HG21 ILE A 52 5.356 4.068 0.968 1.00 55.04 H new ATOM 0 HG22 ILE A 52 7.030 4.605 1.244 1.00 55.04 H new ATOM 0 HG23 ILE A 52 6.659 3.503 -0.104 1.00 55.04 H new ATOM 0 HD11 ILE A 52 3.567 0.916 1.337 1.00 33.33 H new ATOM 0 HD12 ILE A 52 3.964 2.050 2.650 1.00 33.33 H new ATOM 0 HD13 ILE A 52 3.943 2.614 0.962 1.00 33.33 H new ATOM 966 N THR A 53 10.171 3.346 1.501 1.00 22.12 N ATOM 967 CA THR A 53 11.239 4.326 1.672 1.00 13.34 C ATOM 968 C THR A 53 10.978 5.564 0.790 1.00 63.33 C ATOM 969 O THR A 53 10.592 5.418 -0.371 1.00 3.11 O ATOM 970 CB THR A 53 12.591 3.700 1.229 1.00 54.14 C ATOM 971 OG1 THR A 53 12.854 2.530 1.978 1.00 44.35 O ATOM 972 CG2 THR A 53 13.830 4.607 1.291 1.00 4.54 C ATOM 0 H THR A 53 10.352 2.718 0.718 1.00 22.12 H new ATOM 0 HA THR A 53 11.273 4.619 2.721 1.00 13.34 H new ATOM 0 HB THR A 53 12.439 3.495 0.169 1.00 54.14 H new ATOM 0 HG1 THR A 53 13.707 2.142 1.690 1.00 44.35 H new ATOM 0 HG21 THR A 53 14.705 4.050 0.956 1.00 4.54 H new ATOM 0 HG22 THR A 53 13.681 5.472 0.644 1.00 4.54 H new ATOM 0 HG23 THR A 53 13.984 4.943 2.316 1.00 4.54 H new ATOM 980 N ALA A 54 11.224 6.757 1.353 1.00 2.35 N ATOM 981 CA ALA A 54 11.166 8.044 0.656 1.00 30.14 C ATOM 982 C ALA A 54 12.583 8.647 0.575 1.00 24.35 C ATOM 983 O ALA A 54 13.545 7.894 0.430 1.00 5.40 O ATOM 984 CB ALA A 54 10.146 8.950 1.367 1.00 75.44 C ATOM 0 H ALA A 54 11.476 6.852 2.337 1.00 2.35 H new ATOM 0 HA ALA A 54 10.823 7.926 -0.372 1.00 30.14 H new ATOM 0 HB1 ALA A 54 10.095 9.911 0.856 1.00 75.44 H new ATOM 0 HB2 ALA A 54 9.164 8.477 1.349 1.00 75.44 H new ATOM 0 HB3 ALA A 54 10.455 9.105 2.401 1.00 75.44 H new ATOM 990 N GLY A 55 12.700 9.985 0.644 1.00 72.42 N ATOM 991 CA GLY A 55 13.980 10.700 0.572 1.00 34.33 C ATOM 992 C GLY A 55 14.894 10.396 1.774 1.00 33.32 C ATOM 993 O GLY A 55 16.110 10.332 1.602 1.00 61.42 O ATOM 0 H GLY A 55 11.897 10.605 0.753 1.00 72.42 H new ATOM 0 HA2 GLY A 55 14.494 10.426 -0.349 1.00 34.33 H new ATOM 0 HA3 GLY A 55 13.791 11.773 0.525 1.00 34.33 H new ATOM 997 N SER A 56 14.306 10.167 2.961 1.00 24.25 N ATOM 998 CA SER A 56 15.003 9.748 4.177 1.00 51.21 C ATOM 999 C SER A 56 14.148 8.720 4.928 1.00 11.32 C ATOM 1000 O SER A 56 14.591 7.585 5.104 1.00 13.10 O ATOM 1001 CB SER A 56 15.332 10.965 5.072 1.00 20.12 C ATOM 1002 OG SER A 56 16.459 11.667 4.592 1.00 2.14 O ATOM 0 H SER A 56 13.301 10.273 3.099 1.00 24.25 H new ATOM 0 HA SER A 56 15.950 9.283 3.903 1.00 51.21 H new ATOM 0 HB2 SER A 56 14.473 11.635 5.109 1.00 20.12 H new ATOM 0 HB3 SER A 56 15.518 10.629 6.092 1.00 20.12 H new ATOM 0 HG SER A 56 16.626 11.419 3.659 1.00 2.14 H new ATOM 1008 N LYS A 57 12.946 9.148 5.360 1.00 73.31 N ATOM 1009 CA LYS A 57 12.007 8.370 6.174 1.00 20.53 C ATOM 1010 C LYS A 57 11.503 7.083 5.497 1.00 63.12 C ATOM 1011 O LYS A 57 11.281 7.069 4.284 1.00 14.45 O ATOM 1012 CB LYS A 57 10.833 9.273 6.617 1.00 73.21 C ATOM 1013 CG LYS A 57 10.070 9.973 5.471 1.00 2.02 C ATOM 1014 CD LYS A 57 8.583 10.237 5.768 1.00 74.54 C ATOM 1015 CE LYS A 57 7.691 8.983 5.692 1.00 51.10 C ATOM 1016 NZ LYS A 57 7.670 8.405 4.336 1.00 41.34 N1+ ATOM 0 H LYS A 57 12.594 10.080 5.141 1.00 73.31 H new ATOM 0 HA LYS A 57 12.558 8.026 7.049 1.00 20.53 H new ATOM 0 HB2 LYS A 57 10.126 8.669 7.186 1.00 73.21 H new ATOM 0 HB3 LYS A 57 11.218 10.036 7.294 1.00 73.21 H new ATOM 0 HG2 LYS A 57 10.559 10.922 5.252 1.00 2.02 H new ATOM 0 HG3 LYS A 57 10.146 9.360 4.573 1.00 2.02 H new ATOM 0 HD2 LYS A 57 8.495 10.672 6.763 1.00 74.54 H new ATOM 0 HD3 LYS A 57 8.209 10.978 5.062 1.00 74.54 H new ATOM 0 HE2 LYS A 57 8.053 8.237 6.399 1.00 51.10 H new ATOM 0 HE3 LYS A 57 6.676 9.241 5.992 1.00 51.10 H new ATOM 0 HZ1 LYS A 57 6.717 8.044 4.127 1.00 41.34 H new ATOM 0 HZ2 LYS A 57 7.922 9.138 3.642 1.00 41.34 H new ATOM 0 HZ3 LYS A 57 8.356 7.625 4.280 1.00 41.34 H new ATOM 1030 N VAL A 58 11.322 6.039 6.320 1.00 22.24 N ATOM 1031 CA VAL A 58 10.895 4.707 5.898 1.00 72.31 C ATOM 1032 C VAL A 58 9.750 4.236 6.816 1.00 12.04 C ATOM 1033 O VAL A 58 9.764 4.534 8.010 1.00 53.43 O ATOM 1034 CB VAL A 58 12.053 3.670 6.004 1.00 15.54 C ATOM 1035 CG1 VAL A 58 11.696 2.323 5.347 1.00 21.52 C ATOM 1036 CG2 VAL A 58 13.373 4.181 5.397 1.00 53.14 C ATOM 0 H VAL A 58 11.475 6.106 7.326 1.00 22.24 H new ATOM 0 HA VAL A 58 10.575 4.772 4.858 1.00 72.31 H new ATOM 0 HB VAL A 58 12.195 3.522 7.074 1.00 15.54 H new ATOM 0 HG11 VAL A 58 12.536 1.635 5.448 1.00 21.52 H new ATOM 0 HG12 VAL A 58 10.819 1.900 5.838 1.00 21.52 H new ATOM 0 HG13 VAL A 58 11.480 2.480 4.290 1.00 21.52 H new ATOM 0 HG21 VAL A 58 14.142 3.415 5.501 1.00 53.14 H new ATOM 0 HG22 VAL A 58 13.225 4.406 4.341 1.00 53.14 H new ATOM 0 HG23 VAL A 58 13.688 5.084 5.919 1.00 53.14 H new ATOM 1046 N ILE A 59 8.785 3.506 6.235 1.00 52.34 N ATOM 1047 CA ILE A 59 7.620 2.939 6.920 1.00 63.31 C ATOM 1048 C ILE A 59 7.656 1.420 6.679 1.00 31.44 C ATOM 1049 O ILE A 59 7.751 1.017 5.522 1.00 30.30 O ATOM 1050 CB ILE A 59 6.292 3.475 6.305 1.00 40.23 C ATOM 1051 CG1 ILE A 59 6.221 5.019 6.244 1.00 32.22 C ATOM 1052 CG2 ILE A 59 5.029 2.928 7.007 1.00 4.45 C ATOM 1053 CD1 ILE A 59 5.399 5.520 5.053 1.00 31.01 C ATOM 0 H ILE A 59 8.798 3.288 5.239 1.00 52.34 H new ATOM 0 HA ILE A 59 7.655 3.205 7.976 1.00 63.31 H new ATOM 0 HB ILE A 59 6.306 3.096 5.283 1.00 40.23 H new ATOM 0 HG12 ILE A 59 5.783 5.396 7.168 1.00 32.22 H new ATOM 0 HG13 ILE A 59 7.231 5.424 6.181 1.00 32.22 H new ATOM 0 HG21 ILE A 59 4.140 3.341 6.530 1.00 4.45 H new ATOM 0 HG22 ILE A 59 5.011 1.841 6.929 1.00 4.45 H new ATOM 0 HG23 ILE A 59 5.043 3.216 8.058 1.00 4.45 H new ATOM 0 HD11 ILE A 59 5.381 6.610 5.056 1.00 31.01 H new ATOM 0 HD12 ILE A 59 5.850 5.168 4.125 1.00 31.01 H new ATOM 0 HD13 ILE A 59 4.380 5.140 5.128 1.00 31.01 H new ATOM 1065 N GLN A 60 7.588 0.609 7.749 1.00 13.05 N ATOM 1066 CA GLN A 60 7.684 -0.854 7.675 1.00 21.24 C ATOM 1067 C GLN A 60 6.499 -1.506 8.400 1.00 24.42 C ATOM 1068 O GLN A 60 6.581 -1.759 9.603 1.00 55.10 O ATOM 1069 CB GLN A 60 9.050 -1.324 8.224 1.00 12.44 C ATOM 1070 CG GLN A 60 10.233 -0.997 7.284 1.00 71.21 C ATOM 1071 CD GLN A 60 11.359 -0.223 7.970 1.00 60.43 C ATOM 1072 OE1 GLN A 60 12.492 -0.691 8.027 1.00 22.25 O ATOM 1073 NE2 GLN A 60 11.056 0.974 8.480 1.00 2.35 N ATOM 0 H GLN A 60 7.463 0.958 8.699 1.00 13.05 H new ATOM 0 HA GLN A 60 7.629 -1.171 6.634 1.00 21.24 H new ATOM 0 HB2 GLN A 60 9.225 -0.856 9.193 1.00 12.44 H new ATOM 0 HB3 GLN A 60 9.015 -2.400 8.392 1.00 12.44 H new ATOM 0 HG2 GLN A 60 10.635 -1.927 6.881 1.00 71.21 H new ATOM 0 HG3 GLN A 60 9.865 -0.416 6.439 1.00 71.21 H new ATOM 0 HE21 GLN A 60 10.103 1.330 8.414 1.00 2.35 H new ATOM 0 HE22 GLN A 60 11.778 1.532 8.936 1.00 2.35 H new ATOM 1082 N ASN A 61 5.426 -1.768 7.638 1.00 15.02 N ATOM 1083 CA ASN A 61 4.214 -2.457 8.095 1.00 22.04 C ATOM 1084 C ASN A 61 4.374 -3.973 8.023 1.00 12.24 C ATOM 1085 O ASN A 61 5.126 -4.466 7.184 1.00 1.30 O ATOM 1086 CB ASN A 61 3.040 -2.046 7.186 1.00 74.13 C ATOM 1087 CG ASN A 61 2.566 -0.632 7.481 1.00 14.54 C ATOM 1088 OD1 ASN A 61 2.054 -0.375 8.566 1.00 4.23 O ATOM 1089 ND2 ASN A 61 2.725 0.275 6.517 1.00 71.34 N ATOM 0 H ASN A 61 5.379 -1.497 6.656 1.00 15.02 H new ATOM 0 HA ASN A 61 4.029 -2.176 9.132 1.00 22.04 H new ATOM 0 HB2 ASN A 61 3.346 -2.116 6.142 1.00 74.13 H new ATOM 0 HB3 ASN A 61 2.213 -2.743 7.323 1.00 74.13 H new ATOM 0 HD21 ASN A 61 2.414 1.235 6.664 1.00 71.34 H new ATOM 0 HD22 ASN A 61 3.157 0.009 5.632 1.00 71.34 H new ATOM 1096 N GLU A 62 3.597 -4.674 8.862 1.00 11.32 N ATOM 1097 CA GLU A 62 3.476 -6.126 8.841 1.00 10.11 C ATOM 1098 C GLU A 62 2.041 -6.539 9.178 1.00 4.42 C ATOM 1099 O GLU A 62 1.429 -5.963 10.080 1.00 11.11 O ATOM 1100 CB GLU A 62 4.547 -6.755 9.756 1.00 64.34 C ATOM 1101 CG GLU A 62 4.529 -8.298 9.804 1.00 12.24 C ATOM 1102 CD GLU A 62 5.806 -8.894 10.399 1.00 52.11 C ATOM 1103 OE1 GLU A 62 6.275 -8.359 11.427 1.00 25.35 O ATOM 1104 OE2 GLU A 62 6.311 -9.865 9.793 1.00 52.24 O1- ATOM 0 H GLU A 62 3.028 -4.233 9.584 1.00 11.32 H new ATOM 0 HA GLU A 62 3.670 -6.512 7.840 1.00 10.11 H new ATOM 0 HB2 GLU A 62 5.531 -6.427 9.420 1.00 64.34 H new ATOM 0 HB3 GLU A 62 4.412 -6.372 10.767 1.00 64.34 H new ATOM 0 HG2 GLU A 62 3.673 -8.627 10.393 1.00 12.24 H new ATOM 0 HG3 GLU A 62 4.390 -8.686 8.795 1.00 12.24 H new ATOM 1111 N PHE A 63 1.545 -7.545 8.445 1.00 45.12 N ATOM 1112 CA PHE A 63 0.225 -8.132 8.631 1.00 45.42 C ATOM 1113 C PHE A 63 0.201 -9.591 8.163 1.00 52.20 C ATOM 1114 O PHE A 63 1.131 -10.048 7.499 1.00 63.22 O ATOM 1115 CB PHE A 63 -0.870 -7.264 7.963 1.00 33.31 C ATOM 1116 CG PHE A 63 -0.806 -7.081 6.454 1.00 72.14 C ATOM 1117 CD1 PHE A 63 -1.294 -8.077 5.581 1.00 42.32 C ATOM 1118 CD2 PHE A 63 -0.157 -5.952 5.914 1.00 4.21 C ATOM 1119 CE1 PHE A 63 -1.194 -7.902 4.207 1.00 33.11 C ATOM 1120 CE2 PHE A 63 -0.097 -5.779 4.539 1.00 1.52 C ATOM 1121 CZ PHE A 63 -0.623 -6.746 3.691 1.00 51.51 C ATOM 0 H PHE A 63 2.071 -7.980 7.687 1.00 45.12 H new ATOM 0 HA PHE A 63 -0.001 -8.146 9.697 1.00 45.42 H new ATOM 0 HB2 PHE A 63 -1.839 -7.700 8.207 1.00 33.31 H new ATOM 0 HB3 PHE A 63 -0.841 -6.276 8.422 1.00 33.31 H new ATOM 0 HD1 PHE A 63 -1.744 -8.974 5.981 1.00 42.32 H new ATOM 0 HD2 PHE A 63 0.293 -5.222 6.571 1.00 4.21 H new ATOM 0 HE1 PHE A 63 -1.561 -8.667 3.538 1.00 33.11 H new ATOM 0 HE2 PHE A 63 0.359 -4.891 4.127 1.00 1.52 H new ATOM 0 HZ PHE A 63 -0.587 -6.597 2.622 1.00 51.51 H new ATOM 1131 N THR A 64 -0.887 -10.280 8.525 1.00 74.12 N ATOM 1132 CA THR A 64 -1.170 -11.654 8.126 1.00 13.51 C ATOM 1133 C THR A 64 -2.482 -11.650 7.326 1.00 22.02 C ATOM 1134 O THR A 64 -3.462 -11.061 7.785 1.00 1.35 O ATOM 1135 CB THR A 64 -1.337 -12.566 9.367 1.00 73.13 C ATOM 1136 OG1 THR A 64 -0.197 -12.448 10.194 1.00 42.04 O ATOM 1137 CG2 THR A 64 -1.488 -14.052 9.026 1.00 4.13 C ATOM 0 H THR A 64 -1.613 -9.881 9.121 1.00 74.12 H new ATOM 0 HA THR A 64 -0.343 -12.038 7.529 1.00 13.51 H new ATOM 0 HB THR A 64 -2.251 -12.232 9.858 1.00 73.13 H new ATOM 0 HG1 THR A 64 -0.302 -13.024 10.980 1.00 42.04 H new ATOM 0 HG21 THR A 64 -1.600 -14.627 9.945 1.00 4.13 H new ATOM 0 HG22 THR A 64 -2.369 -14.194 8.400 1.00 4.13 H new ATOM 0 HG23 THR A 64 -0.603 -14.394 8.490 1.00 4.13 H new ATOM 1145 N VAL A 65 -2.464 -12.254 6.126 1.00 11.41 N ATOM 1146 CA VAL A 65 -3.564 -12.193 5.157 1.00 33.33 C ATOM 1147 C VAL A 65 -4.845 -12.865 5.700 1.00 61.03 C ATOM 1148 O VAL A 65 -4.787 -13.993 6.186 1.00 22.11 O ATOM 1149 CB VAL A 65 -3.168 -12.843 3.797 1.00 72.44 C ATOM 1150 CG1 VAL A 65 -4.295 -12.853 2.741 1.00 42.20 C ATOM 1151 CG2 VAL A 65 -1.927 -12.160 3.191 1.00 40.35 C ATOM 0 H VAL A 65 -1.671 -12.806 5.800 1.00 11.41 H new ATOM 0 HA VAL A 65 -3.771 -11.136 4.992 1.00 33.33 H new ATOM 0 HB VAL A 65 -2.951 -13.882 4.046 1.00 72.44 H new ATOM 0 HG11 VAL A 65 -3.933 -13.323 1.827 1.00 42.20 H new ATOM 0 HG12 VAL A 65 -5.148 -13.414 3.124 1.00 42.20 H new ATOM 0 HG13 VAL A 65 -4.601 -11.829 2.526 1.00 42.20 H new ATOM 0 HG21 VAL A 65 -1.676 -12.636 2.243 1.00 40.35 H new ATOM 0 HG22 VAL A 65 -2.139 -11.104 3.022 1.00 40.35 H new ATOM 0 HG23 VAL A 65 -1.087 -12.256 3.879 1.00 40.35 H new ATOM 1161 N GLY A 66 -5.968 -12.135 5.625 1.00 55.35 N ATOM 1162 CA GLY A 66 -7.274 -12.561 6.124 1.00 0.44 C ATOM 1163 C GLY A 66 -7.471 -12.287 7.626 1.00 33.05 C ATOM 1164 O GLY A 66 -8.569 -12.541 8.120 1.00 40.34 O ATOM 0 H GLY A 66 -5.988 -11.207 5.203 1.00 55.35 H new ATOM 0 HA2 GLY A 66 -8.055 -12.048 5.563 1.00 0.44 H new ATOM 0 HA3 GLY A 66 -7.396 -13.628 5.937 1.00 0.44 H new ATOM 1168 N GLU A 67 -6.453 -11.770 8.341 1.00 70.23 N ATOM 1169 CA GLU A 67 -6.498 -11.485 9.779 1.00 22.42 C ATOM 1170 C GLU A 67 -6.316 -9.983 10.047 1.00 3.42 C ATOM 1171 O GLU A 67 -5.619 -9.294 9.298 1.00 51.32 O ATOM 1172 CB GLU A 67 -5.429 -12.320 10.512 1.00 4.45 C ATOM 1173 CG GLU A 67 -5.625 -13.840 10.337 1.00 21.52 C ATOM 1174 CD GLU A 67 -4.656 -14.670 11.176 1.00 43.40 C ATOM 1175 OE1 GLU A 67 -3.947 -15.503 10.568 1.00 55.24 O ATOM 1176 OE2 GLU A 67 -4.654 -14.477 12.410 1.00 21.22 O1- ATOM 0 H GLU A 67 -5.555 -11.535 7.918 1.00 70.23 H new ATOM 0 HA GLU A 67 -7.478 -11.766 10.164 1.00 22.42 H new ATOM 0 HB2 GLU A 67 -4.442 -12.042 10.142 1.00 4.45 H new ATOM 0 HB3 GLU A 67 -5.451 -12.077 11.574 1.00 4.45 H new ATOM 0 HG2 GLU A 67 -6.648 -14.102 10.609 1.00 21.52 H new ATOM 0 HG3 GLU A 67 -5.498 -14.098 9.286 1.00 21.52 H new ATOM 1183 N GLU A 68 -6.984 -9.513 11.112 1.00 62.04 N ATOM 1184 CA GLU A 68 -7.061 -8.116 11.539 1.00 12.35 C ATOM 1185 C GLU A 68 -5.721 -7.613 12.099 1.00 34.40 C ATOM 1186 O GLU A 68 -5.224 -8.164 13.081 1.00 15.45 O ATOM 1187 CB GLU A 68 -8.196 -7.990 12.575 1.00 64.11 C ATOM 1188 CG GLU A 68 -9.592 -8.162 11.943 1.00 10.43 C ATOM 1189 CD GLU A 68 -10.704 -8.371 12.967 1.00 23.43 C ATOM 1190 OE1 GLU A 68 -11.494 -9.316 12.753 1.00 32.13 O ATOM 1191 OE2 GLU A 68 -10.755 -7.582 13.936 1.00 13.42 O1- ATOM 0 H GLU A 68 -7.511 -10.133 11.727 1.00 62.04 H new ATOM 0 HA GLU A 68 -7.279 -7.484 10.678 1.00 12.35 H new ATOM 0 HB2 GLU A 68 -8.058 -8.740 13.354 1.00 64.11 H new ATOM 0 HB3 GLU A 68 -8.137 -7.015 13.058 1.00 64.11 H new ATOM 0 HG2 GLU A 68 -9.822 -7.281 11.344 1.00 10.43 H new ATOM 0 HG3 GLU A 68 -9.571 -9.013 11.262 1.00 10.43 H new ATOM 1198 N CYS A 69 -5.173 -6.578 11.445 1.00 13.21 N ATOM 1199 CA CYS A 69 -3.870 -5.971 11.729 1.00 70.35 C ATOM 1200 C CYS A 69 -3.982 -4.441 11.593 1.00 60.52 C ATOM 1201 O CYS A 69 -4.998 -3.942 11.110 1.00 3.44 O ATOM 1202 CB CYS A 69 -2.784 -6.519 10.780 1.00 55.14 C ATOM 1203 SG CYS A 69 -2.420 -8.263 11.141 1.00 2.14 S ATOM 0 H CYS A 69 -5.651 -6.122 10.668 1.00 13.21 H new ATOM 0 HA CYS A 69 -3.577 -6.225 12.748 1.00 70.35 H new ATOM 0 HB2 CYS A 69 -3.116 -6.420 9.747 1.00 55.14 H new ATOM 0 HB3 CYS A 69 -1.875 -5.926 10.881 1.00 55.14 H new ATOM 0 HG CYS A 69 -3.260 -8.707 12.029 1.00 2.14 H new ATOM 1209 N GLU A 70 -2.936 -3.718 12.029 1.00 1.31 N ATOM 1210 CA GLU A 70 -2.891 -2.255 12.028 1.00 5.34 C ATOM 1211 C GLU A 70 -1.861 -1.753 11.003 1.00 21.04 C ATOM 1212 O GLU A 70 -0.721 -2.219 11.004 1.00 4.41 O ATOM 1213 CB GLU A 70 -2.627 -1.780 13.468 1.00 62.11 C ATOM 1214 CG GLU A 70 -2.783 -0.263 13.673 1.00 33.43 C ATOM 1215 CD GLU A 70 -2.769 0.085 15.161 1.00 43.03 C ATOM 1216 OE1 GLU A 70 -3.866 0.369 15.689 1.00 55.11 O ATOM 1217 OE2 GLU A 70 -1.666 0.041 15.748 1.00 1.21 O1- ATOM 0 H GLU A 70 -2.086 -4.146 12.397 1.00 1.31 H new ATOM 0 HA GLU A 70 -3.842 -1.827 11.712 1.00 5.34 H new ATOM 0 HB2 GLU A 70 -3.311 -2.298 14.140 1.00 62.11 H new ATOM 0 HB3 GLU A 70 -1.617 -2.072 13.755 1.00 62.11 H new ATOM 0 HG2 GLU A 70 -1.975 0.263 13.164 1.00 33.43 H new ATOM 0 HG3 GLU A 70 -3.717 0.076 13.224 1.00 33.43 H new ATOM 1224 N LEU A 71 -2.316 -0.843 10.126 1.00 63.25 N ATOM 1225 CA LEU A 71 -1.596 -0.358 8.948 1.00 51.44 C ATOM 1226 C LEU A 71 -1.286 1.140 9.101 1.00 52.25 C ATOM 1227 O LEU A 71 -2.129 1.881 9.601 1.00 41.12 O ATOM 1228 CB LEU A 71 -2.478 -0.584 7.694 1.00 12.12 C ATOM 1229 CG LEU A 71 -2.593 -2.041 7.184 1.00 31.25 C ATOM 1230 CD1 LEU A 71 -1.226 -2.649 6.810 1.00 13.24 C ATOM 1231 CD2 LEU A 71 -3.433 -2.968 8.089 1.00 11.34 C ATOM 0 H LEU A 71 -3.234 -0.410 10.227 1.00 63.25 H new ATOM 0 HA LEU A 71 -0.657 -0.901 8.844 1.00 51.44 H new ATOM 0 HB2 LEU A 71 -3.482 -0.219 7.912 1.00 12.12 H new ATOM 0 HB3 LEU A 71 -2.084 0.031 6.885 1.00 12.12 H new ATOM 0 HG LEU A 71 -3.165 -1.968 6.259 1.00 31.25 H new ATOM 0 HD11 LEU A 71 -1.366 -3.671 6.459 1.00 13.24 H new ATOM 0 HD12 LEU A 71 -0.767 -2.054 6.020 1.00 13.24 H new ATOM 0 HD13 LEU A 71 -0.577 -2.652 7.686 1.00 13.24 H new ATOM 0 HD21 LEU A 71 -3.462 -3.969 7.658 1.00 11.34 H new ATOM 0 HD22 LEU A 71 -2.984 -3.013 9.081 1.00 11.34 H new ATOM 0 HD23 LEU A 71 -4.448 -2.578 8.168 1.00 11.34 H new ATOM 1243 N GLU A 72 -0.091 1.539 8.638 1.00 31.40 N ATOM 1244 CA GLU A 72 0.495 2.873 8.778 1.00 14.02 C ATOM 1245 C GLU A 72 0.815 3.467 7.392 1.00 21.53 C ATOM 1246 O GLU A 72 1.260 2.741 6.502 1.00 23.03 O ATOM 1247 CB GLU A 72 1.759 2.725 9.653 1.00 41.41 C ATOM 1248 CG GLU A 72 2.449 4.043 10.061 1.00 41.14 C ATOM 1249 CD GLU A 72 3.718 3.812 10.888 1.00 41.24 C ATOM 1250 OE1 GLU A 72 4.624 4.667 10.777 1.00 4.01 O ATOM 1251 OE2 GLU A 72 3.775 2.797 11.619 1.00 22.04 O1- ATOM 0 H GLU A 72 0.522 0.902 8.129 1.00 31.40 H new ATOM 0 HA GLU A 72 -0.200 3.564 9.254 1.00 14.02 H new ATOM 0 HB2 GLU A 72 1.490 2.182 10.559 1.00 41.41 H new ATOM 0 HB3 GLU A 72 2.481 2.110 9.115 1.00 41.41 H new ATOM 0 HG2 GLU A 72 2.702 4.609 9.165 1.00 41.14 H new ATOM 0 HG3 GLU A 72 1.751 4.652 10.636 1.00 41.14 H new ATOM 1258 N THR A 73 0.596 4.779 7.244 1.00 53.10 N ATOM 1259 CA THR A 73 0.732 5.534 5.990 1.00 22.32 C ATOM 1260 C THR A 73 1.849 6.604 6.100 1.00 73.14 C ATOM 1261 O THR A 73 2.512 6.697 7.134 1.00 51.31 O ATOM 1262 CB THR A 73 -0.617 6.240 5.687 1.00 61.01 C ATOM 1263 OG1 THR A 73 -0.940 7.143 6.723 1.00 25.44 O ATOM 1264 CG2 THR A 73 -1.796 5.273 5.494 1.00 13.44 C ATOM 0 H THR A 73 0.308 5.368 8.025 1.00 53.10 H new ATOM 0 HA THR A 73 0.996 4.842 5.191 1.00 22.32 H new ATOM 0 HB THR A 73 -0.468 6.762 4.742 1.00 61.01 H new ATOM 0 HG1 THR A 73 -0.881 8.062 6.386 1.00 25.44 H new ATOM 0 HG21 THR A 73 -2.703 5.841 5.286 1.00 13.44 H new ATOM 0 HG22 THR A 73 -1.586 4.606 4.658 1.00 13.44 H new ATOM 0 HG23 THR A 73 -1.936 4.685 6.401 1.00 13.44 H new ATOM 1272 N MET A 74 2.059 7.382 5.017 1.00 65.23 N ATOM 1273 CA MET A 74 3.038 8.480 4.931 1.00 15.22 C ATOM 1274 C MET A 74 2.748 9.683 5.847 1.00 61.53 C ATOM 1275 O MET A 74 3.689 10.392 6.205 1.00 63.41 O ATOM 1276 CB MET A 74 3.192 8.953 3.470 1.00 4.31 C ATOM 1277 CG MET A 74 3.769 7.894 2.518 1.00 63.10 C ATOM 1278 SD MET A 74 4.120 8.533 0.858 1.00 71.13 S ATOM 1279 CE MET A 74 4.851 7.056 0.107 1.00 42.32 C ATOM 0 H MET A 74 1.533 7.257 4.152 1.00 65.23 H new ATOM 0 HA MET A 74 3.973 8.054 5.295 1.00 15.22 H new ATOM 0 HB2 MET A 74 2.217 9.266 3.097 1.00 4.31 H new ATOM 0 HB3 MET A 74 3.837 9.831 3.451 1.00 4.31 H new ATOM 0 HG2 MET A 74 4.687 7.493 2.947 1.00 63.10 H new ATOM 0 HG3 MET A 74 3.065 7.065 2.439 1.00 63.10 H new ATOM 0 HE1 MET A 74 5.128 7.272 -0.925 1.00 42.32 H new ATOM 0 HE2 MET A 74 5.739 6.764 0.668 1.00 42.32 H new ATOM 0 HE3 MET A 74 4.126 6.242 0.126 1.00 42.32 H new ATOM 1289 N THR A 75 1.476 9.874 6.229 1.00 42.10 N ATOM 1290 CA THR A 75 1.032 10.835 7.244 1.00 73.34 C ATOM 1291 C THR A 75 1.211 10.286 8.683 1.00 4.34 C ATOM 1292 O THR A 75 1.091 11.063 9.630 1.00 65.22 O ATOM 1293 CB THR A 75 -0.477 11.147 7.051 1.00 44.22 C ATOM 1294 OG1 THR A 75 -1.229 9.955 7.118 1.00 73.25 O ATOM 1295 CG2 THR A 75 -0.816 11.840 5.725 1.00 62.31 C ATOM 0 H THR A 75 0.704 9.344 5.825 1.00 42.10 H new ATOM 0 HA THR A 75 1.644 11.729 7.121 1.00 73.34 H new ATOM 0 HB THR A 75 -0.730 11.837 7.856 1.00 44.22 H new ATOM 0 HG1 THR A 75 -2.185 10.169 7.093 1.00 73.25 H new ATOM 0 HG21 THR A 75 -1.890 12.021 5.673 1.00 62.31 H new ATOM 0 HG22 THR A 75 -0.285 12.790 5.665 1.00 62.31 H new ATOM 0 HG23 THR A 75 -0.515 11.203 4.894 1.00 62.31 H new ATOM 1303 N GLY A 76 1.499 8.980 8.830 1.00 3.43 N ATOM 1304 CA GLY A 76 1.683 8.299 10.109 1.00 13.34 C ATOM 1305 C GLY A 76 0.353 7.849 10.736 1.00 34.01 C ATOM 1306 O GLY A 76 0.378 7.342 11.858 1.00 72.12 O ATOM 0 H GLY A 76 1.612 8.356 8.031 1.00 3.43 H new ATOM 0 HA2 GLY A 76 2.325 7.430 9.965 1.00 13.34 H new ATOM 0 HA3 GLY A 76 2.199 8.965 10.800 1.00 13.34 H new ATOM 1310 N GLU A 77 -0.790 8.021 10.039 1.00 2.11 N ATOM 1311 CA GLU A 77 -2.119 7.571 10.463 1.00 62.44 C ATOM 1312 C GLU A 77 -2.172 6.045 10.609 1.00 4.12 C ATOM 1313 O GLU A 77 -1.959 5.343 9.621 1.00 42.31 O ATOM 1314 CB GLU A 77 -3.185 8.010 9.437 1.00 1.33 C ATOM 1315 CG GLU A 77 -3.492 9.515 9.428 1.00 21.25 C ATOM 1316 CD GLU A 77 -4.460 9.865 8.295 1.00 24.55 C ATOM 1317 OE1 GLU A 77 -4.009 9.841 7.128 1.00 34.11 O ATOM 1318 OE2 GLU A 77 -5.638 10.140 8.611 1.00 2.32 O1- ATOM 0 H GLU A 77 -0.806 8.494 9.135 1.00 2.11 H new ATOM 0 HA GLU A 77 -2.324 8.026 11.432 1.00 62.44 H new ATOM 0 HB2 GLU A 77 -2.853 7.716 8.441 1.00 1.33 H new ATOM 0 HB3 GLU A 77 -4.108 7.467 9.639 1.00 1.33 H new ATOM 0 HG2 GLU A 77 -3.924 9.809 10.385 1.00 21.25 H new ATOM 0 HG3 GLU A 77 -2.567 10.079 9.309 1.00 21.25 H new ATOM 1325 N LYS A 78 -2.485 5.581 11.829 1.00 34.45 N ATOM 1326 CA LYS A 78 -2.721 4.171 12.112 1.00 62.24 C ATOM 1327 C LYS A 78 -4.222 3.872 12.114 1.00 52.53 C ATOM 1328 O LYS A 78 -4.990 4.541 12.805 1.00 41.41 O ATOM 1329 CB LYS A 78 -2.020 3.742 13.408 1.00 24.04 C ATOM 1330 CG LYS A 78 -0.504 3.583 13.196 1.00 12.42 C ATOM 1331 CD LYS A 78 0.175 2.754 14.292 1.00 34.14 C ATOM 1332 CE LYS A 78 1.622 2.406 13.930 1.00 51.30 C ATOM 1333 NZ LYS A 78 2.221 1.503 14.923 1.00 3.34 N1+ ATOM 0 H LYS A 78 -2.580 6.183 12.647 1.00 34.45 H new ATOM 0 HA LYS A 78 -2.279 3.570 11.317 1.00 62.24 H new ATOM 0 HB2 LYS A 78 -2.205 4.482 14.187 1.00 24.04 H new ATOM 0 HB3 LYS A 78 -2.442 2.800 13.757 1.00 24.04 H new ATOM 0 HG2 LYS A 78 -0.326 3.111 12.230 1.00 12.42 H new ATOM 0 HG3 LYS A 78 -0.043 4.570 13.158 1.00 12.42 H new ATOM 0 HD2 LYS A 78 0.159 3.309 15.230 1.00 34.14 H new ATOM 0 HD3 LYS A 78 -0.389 1.836 14.455 1.00 34.14 H new ATOM 0 HE2 LYS A 78 1.650 1.937 12.946 1.00 51.30 H new ATOM 0 HE3 LYS A 78 2.212 3.320 13.864 1.00 51.30 H new ATOM 0 HZ1 LYS A 78 3.201 1.287 14.649 1.00 3.34 H new ATOM 0 HZ2 LYS A 78 2.216 1.961 15.857 1.00 3.34 H new ATOM 0 HZ3 LYS A 78 1.671 0.621 14.967 1.00 3.34 H new ATOM 1347 N VAL A 79 -4.582 2.863 11.312 1.00 4.14 N ATOM 1348 CA VAL A 79 -5.942 2.410 11.069 1.00 74.43 C ATOM 1349 C VAL A 79 -5.940 0.880 10.951 1.00 74.30 C ATOM 1350 O VAL A 79 -5.214 0.321 10.125 1.00 24.50 O ATOM 1351 CB VAL A 79 -6.547 3.036 9.772 1.00 63.22 C ATOM 1352 CG1 VAL A 79 -7.143 4.428 10.037 1.00 32.44 C ATOM 1353 CG2 VAL A 79 -5.566 3.103 8.580 1.00 71.32 C ATOM 0 H VAL A 79 -3.893 2.319 10.793 1.00 4.14 H new ATOM 0 HA VAL A 79 -6.563 2.732 11.905 1.00 74.43 H new ATOM 0 HB VAL A 79 -7.342 2.349 9.482 1.00 63.22 H new ATOM 0 HG11 VAL A 79 -7.554 4.830 9.111 1.00 32.44 H new ATOM 0 HG12 VAL A 79 -7.935 4.349 10.781 1.00 32.44 H new ATOM 0 HG13 VAL A 79 -6.363 5.093 10.407 1.00 32.44 H new ATOM 0 HG21 VAL A 79 -6.067 3.551 7.721 1.00 71.32 H new ATOM 0 HG22 VAL A 79 -4.702 3.709 8.853 1.00 71.32 H new ATOM 0 HG23 VAL A 79 -5.236 2.096 8.323 1.00 71.32 H new ATOM 1363 N LYS A 80 -6.754 0.233 11.801 1.00 63.33 N ATOM 1364 CA LYS A 80 -6.977 -1.211 11.771 1.00 34.21 C ATOM 1365 C LYS A 80 -7.903 -1.612 10.619 1.00 52.24 C ATOM 1366 O LYS A 80 -8.924 -0.960 10.395 1.00 75.41 O ATOM 1367 CB LYS A 80 -7.522 -1.704 13.125 1.00 34.34 C ATOM 1368 CG LYS A 80 -6.420 -1.873 14.186 1.00 31.13 C ATOM 1369 CD LYS A 80 -6.940 -2.303 15.569 1.00 52.13 C ATOM 1370 CE LYS A 80 -7.673 -3.655 15.575 1.00 31.42 C ATOM 1371 NZ LYS A 80 -8.068 -4.045 16.938 1.00 4.01 N1+ ATOM 0 H LYS A 80 -7.279 0.709 12.535 1.00 63.33 H new ATOM 0 HA LYS A 80 -6.016 -1.695 11.596 1.00 34.21 H new ATOM 0 HB2 LYS A 80 -8.267 -0.997 13.491 1.00 34.34 H new ATOM 0 HB3 LYS A 80 -8.031 -2.657 12.981 1.00 34.34 H new ATOM 0 HG2 LYS A 80 -5.702 -2.613 13.834 1.00 31.13 H new ATOM 0 HG3 LYS A 80 -5.882 -0.931 14.289 1.00 31.13 H new ATOM 0 HD2 LYS A 80 -6.099 -2.355 16.261 1.00 52.13 H new ATOM 0 HD3 LYS A 80 -7.615 -1.535 15.946 1.00 52.13 H new ATOM 0 HE2 LYS A 80 -8.558 -3.594 14.941 1.00 31.42 H new ATOM 0 HE3 LYS A 80 -7.028 -4.423 15.148 1.00 31.42 H new ATOM 0 HZ1 LYS A 80 -8.560 -4.961 16.908 1.00 4.01 H new ATOM 0 HZ2 LYS A 80 -7.220 -4.127 17.535 1.00 4.01 H new ATOM 0 HZ3 LYS A 80 -8.703 -3.324 17.335 1.00 4.01 H new ATOM 1385 N THR A 81 -7.525 -2.703 9.942 1.00 10.31 N ATOM 1386 CA THR A 81 -8.262 -3.294 8.832 1.00 71.10 C ATOM 1387 C THR A 81 -7.733 -4.721 8.551 1.00 11.10 C ATOM 1388 O THR A 81 -6.882 -5.223 9.286 1.00 2.42 O ATOM 1389 CB THR A 81 -8.214 -2.394 7.557 1.00 64.15 C ATOM 1390 OG1 THR A 81 -9.132 -2.852 6.583 1.00 65.32 O ATOM 1391 CG2 THR A 81 -6.829 -2.295 6.888 1.00 11.32 C ATOM 0 H THR A 81 -6.669 -3.211 10.164 1.00 10.31 H new ATOM 0 HA THR A 81 -9.312 -3.366 9.115 1.00 71.10 H new ATOM 0 HB THR A 81 -8.474 -1.400 7.921 1.00 64.15 H new ATOM 0 HG1 THR A 81 -9.139 -2.233 5.823 1.00 65.32 H new ATOM 0 HG21 THR A 81 -6.893 -1.650 6.012 1.00 11.32 H new ATOM 0 HG22 THR A 81 -6.113 -1.877 7.595 1.00 11.32 H new ATOM 0 HG23 THR A 81 -6.500 -3.289 6.583 1.00 11.32 H new ATOM 1399 N VAL A 82 -8.265 -5.353 7.498 1.00 12.10 N ATOM 1400 CA VAL A 82 -7.903 -6.686 7.034 1.00 65.00 C ATOM 1401 C VAL A 82 -7.510 -6.576 5.548 1.00 15.30 C ATOM 1402 O VAL A 82 -8.114 -5.785 4.818 1.00 20.31 O ATOM 1403 CB VAL A 82 -9.112 -7.665 7.119 1.00 43.35 C ATOM 1404 CG1 VAL A 82 -8.638 -9.122 7.179 1.00 44.21 C ATOM 1405 CG2 VAL A 82 -10.021 -7.407 8.333 1.00 75.14 C ATOM 0 H VAL A 82 -8.992 -4.925 6.924 1.00 12.10 H new ATOM 0 HA VAL A 82 -7.092 -7.063 7.657 1.00 65.00 H new ATOM 0 HB VAL A 82 -9.691 -7.485 6.213 1.00 43.35 H new ATOM 0 HG11 VAL A 82 -9.502 -9.784 7.238 1.00 44.21 H new ATOM 0 HG12 VAL A 82 -8.063 -9.355 6.283 1.00 44.21 H new ATOM 0 HG13 VAL A 82 -8.011 -9.265 8.059 1.00 44.21 H new ATOM 0 HG21 VAL A 82 -10.842 -8.124 8.331 1.00 75.14 H new ATOM 0 HG22 VAL A 82 -9.443 -7.519 9.250 1.00 75.14 H new ATOM 0 HG23 VAL A 82 -10.422 -6.395 8.279 1.00 75.14 H new ATOM 1415 N VAL A 83 -6.522 -7.378 5.124 1.00 41.31 N ATOM 1416 CA VAL A 83 -6.050 -7.429 3.738 1.00 54.31 C ATOM 1417 C VAL A 83 -6.245 -8.860 3.202 1.00 42.34 C ATOM 1418 O VAL A 83 -5.889 -9.817 3.889 1.00 72.03 O ATOM 1419 CB VAL A 83 -4.540 -7.069 3.635 1.00 63.10 C ATOM 1420 CG1 VAL A 83 -4.029 -7.049 2.179 1.00 45.23 C ATOM 1421 CG2 VAL A 83 -4.200 -5.732 4.328 1.00 52.03 C ATOM 0 H VAL A 83 -6.024 -8.016 5.744 1.00 41.31 H new ATOM 0 HA VAL A 83 -6.620 -6.705 3.157 1.00 54.31 H new ATOM 0 HB VAL A 83 -4.022 -7.869 4.164 1.00 63.10 H new ATOM 0 HG11 VAL A 83 -2.970 -6.792 2.169 1.00 45.23 H new ATOM 0 HG12 VAL A 83 -4.168 -8.033 1.731 1.00 45.23 H new ATOM 0 HG13 VAL A 83 -4.588 -6.308 1.607 1.00 45.23 H new ATOM 0 HG21 VAL A 83 -3.134 -5.530 4.226 1.00 52.03 H new ATOM 0 HG22 VAL A 83 -4.768 -4.926 3.863 1.00 52.03 H new ATOM 0 HG23 VAL A 83 -4.458 -5.794 5.385 1.00 52.03 H new ATOM 1431 N GLN A 84 -6.810 -8.969 1.988 1.00 61.33 N ATOM 1432 CA GLN A 84 -7.058 -10.216 1.257 1.00 41.54 C ATOM 1433 C GLN A 84 -6.230 -10.285 -0.038 1.00 4.15 C ATOM 1434 O GLN A 84 -5.573 -9.313 -0.403 1.00 61.00 O ATOM 1435 CB GLN A 84 -8.574 -10.350 0.946 1.00 50.45 C ATOM 1436 CG GLN A 84 -9.396 -11.012 2.066 1.00 14.11 C ATOM 1437 CD GLN A 84 -9.931 -10.012 3.086 1.00 70.34 C ATOM 1438 OE1 GLN A 84 -10.937 -9.349 2.847 1.00 4.12 O ATOM 1439 NE2 GLN A 84 -9.270 -9.910 4.234 1.00 32.13 N ATOM 0 H GLN A 84 -7.120 -8.148 1.467 1.00 61.33 H new ATOM 0 HA GLN A 84 -6.747 -11.049 1.887 1.00 41.54 H new ATOM 0 HB2 GLN A 84 -8.982 -9.358 0.750 1.00 50.45 H new ATOM 0 HB3 GLN A 84 -8.695 -10.930 0.031 1.00 50.45 H new ATOM 0 HG2 GLN A 84 -10.232 -11.553 1.623 1.00 14.11 H new ATOM 0 HG3 GLN A 84 -8.775 -11.747 2.578 1.00 14.11 H new ATOM 0 HE21 GLN A 84 -8.438 -10.478 4.396 1.00 32.13 H new ATOM 0 HE22 GLN A 84 -9.594 -9.264 4.954 1.00 32.13 H new ATOM 1448 N LEU A 85 -6.320 -11.441 -0.711 1.00 40.43 N ATOM 1449 CA LEU A 85 -5.853 -11.691 -2.074 1.00 51.31 C ATOM 1450 C LEU A 85 -7.053 -12.232 -2.874 1.00 54.41 C ATOM 1451 O LEU A 85 -7.749 -13.112 -2.363 1.00 41.12 O ATOM 1452 CB LEU A 85 -4.709 -12.731 -2.011 1.00 65.52 C ATOM 1453 CG LEU A 85 -4.004 -13.024 -3.355 1.00 33.43 C ATOM 1454 CD1 LEU A 85 -2.957 -11.955 -3.681 1.00 3.42 C ATOM 1455 CD2 LEU A 85 -3.375 -14.423 -3.379 1.00 64.25 C ATOM 0 H LEU A 85 -6.744 -12.269 -0.293 1.00 40.43 H new ATOM 0 HA LEU A 85 -5.473 -10.789 -2.554 1.00 51.31 H new ATOM 0 HB2 LEU A 85 -3.963 -12.382 -1.297 1.00 65.52 H new ATOM 0 HB3 LEU A 85 -5.112 -13.665 -1.620 1.00 65.52 H new ATOM 0 HG LEU A 85 -4.772 -12.995 -4.128 1.00 33.43 H new ATOM 0 HD11 LEU A 85 -2.480 -12.191 -4.632 1.00 3.42 H new ATOM 0 HD12 LEU A 85 -3.441 -10.981 -3.750 1.00 3.42 H new ATOM 0 HD13 LEU A 85 -2.204 -11.931 -2.893 1.00 3.42 H new ATOM 0 HD21 LEU A 85 -2.890 -14.588 -4.341 1.00 64.25 H new ATOM 0 HD22 LEU A 85 -2.636 -14.503 -2.582 1.00 64.25 H new ATOM 0 HD23 LEU A 85 -4.151 -15.174 -3.231 1.00 64.25 H new ATOM 1467 N GLU A 86 -7.260 -11.744 -4.112 1.00 40.40 N ATOM 1468 CA GLU A 86 -8.331 -12.226 -5.003 1.00 12.40 C ATOM 1469 C GLU A 86 -7.923 -13.419 -5.898 1.00 63.23 C ATOM 1470 O GLU A 86 -8.698 -13.792 -6.779 1.00 40.13 O ATOM 1471 CB GLU A 86 -8.941 -11.056 -5.808 1.00 41.14 C ATOM 1472 CG GLU A 86 -8.027 -10.434 -6.885 1.00 61.31 C ATOM 1473 CD GLU A 86 -8.748 -9.404 -7.762 1.00 51.24 C ATOM 1474 OE1 GLU A 86 -9.930 -9.644 -8.095 1.00 61.21 O ATOM 1475 OE2 GLU A 86 -8.092 -8.397 -8.107 1.00 12.13 O1- ATOM 0 H GLU A 86 -6.689 -11.005 -4.522 1.00 40.40 H new ATOM 0 HA GLU A 86 -9.108 -12.634 -4.357 1.00 12.40 H new ATOM 0 HB2 GLU A 86 -9.852 -11.408 -6.291 1.00 41.14 H new ATOM 0 HB3 GLU A 86 -9.233 -10.272 -5.109 1.00 41.14 H new ATOM 0 HG2 GLU A 86 -7.176 -9.957 -6.399 1.00 61.31 H new ATOM 0 HG3 GLU A 86 -7.629 -11.227 -7.518 1.00 61.31 H new ATOM 1482 N GLY A 87 -6.743 -14.016 -5.660 1.00 52.41 N ATOM 1483 CA GLY A 87 -6.276 -15.232 -6.327 1.00 62.21 C ATOM 1484 C GLY A 87 -5.589 -14.975 -7.682 1.00 53.52 C ATOM 1485 O GLY A 87 -5.203 -15.946 -8.330 1.00 50.23 O ATOM 0 H GLY A 87 -6.074 -13.653 -4.980 1.00 52.41 H new ATOM 0 HA2 GLY A 87 -5.578 -15.751 -5.669 1.00 62.21 H new ATOM 0 HA3 GLY A 87 -7.124 -15.899 -6.481 1.00 62.21 H new ATOM 1489 N ASP A 88 -5.416 -13.708 -8.097 1.00 71.04 N ATOM 1490 CA ASP A 88 -4.723 -13.315 -9.328 1.00 30.21 C ATOM 1491 C ASP A 88 -3.595 -12.329 -8.970 1.00 42.45 C ATOM 1492 O ASP A 88 -3.491 -11.261 -9.574 1.00 71.24 O ATOM 1493 CB ASP A 88 -5.716 -12.769 -10.390 1.00 73.41 C ATOM 1494 CG ASP A 88 -5.096 -12.499 -11.771 1.00 71.32 C ATOM 1495 OD1 ASP A 88 -5.516 -11.498 -12.394 1.00 25.20 O ATOM 1496 OD2 ASP A 88 -4.262 -13.323 -12.208 1.00 54.44 O1- ATOM 0 H ASP A 88 -5.766 -12.909 -7.568 1.00 71.04 H new ATOM 0 HA ASP A 88 -4.266 -14.187 -9.796 1.00 30.21 H new ATOM 0 HB2 ASP A 88 -6.531 -13.483 -10.506 1.00 73.41 H new ATOM 0 HB3 ASP A 88 -6.154 -11.843 -10.016 1.00 73.41 H new ATOM 1501 N ASN A 89 -2.760 -12.706 -7.981 1.00 55.11 N ATOM 1502 CA ASN A 89 -1.582 -11.962 -7.490 1.00 54.15 C ATOM 1503 C ASN A 89 -1.840 -10.478 -7.128 1.00 13.15 C ATOM 1504 O ASN A 89 -0.930 -9.653 -7.193 1.00 32.05 O ATOM 1505 CB ASN A 89 -0.289 -12.225 -8.328 1.00 72.33 C ATOM 1506 CG ASN A 89 -0.458 -12.724 -9.772 1.00 34.24 C ATOM 1507 OD1 ASN A 89 -0.482 -13.928 -10.015 1.00 23.44 O ATOM 1508 ND2 ASN A 89 -0.575 -11.807 -10.734 1.00 72.24 N ATOM 0 H ASN A 89 -2.896 -13.582 -7.477 1.00 55.11 H new ATOM 0 HA ASN A 89 -1.372 -12.401 -6.515 1.00 54.15 H new ATOM 0 HB2 ASN A 89 0.284 -11.298 -8.359 1.00 72.33 H new ATOM 0 HB3 ASN A 89 0.316 -12.955 -7.790 1.00 72.33 H new ATOM 0 HD21 ASN A 89 -0.688 -12.098 -11.705 1.00 72.24 H new ATOM 0 HD22 ASN A 89 -0.551 -10.815 -10.498 1.00 72.24 H new ATOM 1515 N LYS A 90 -3.094 -10.181 -6.748 1.00 70.41 N ATOM 1516 CA LYS A 90 -3.616 -8.854 -6.461 1.00 43.31 C ATOM 1517 C LYS A 90 -4.151 -8.816 -5.028 1.00 61.44 C ATOM 1518 O LYS A 90 -5.162 -9.454 -4.735 1.00 11.11 O ATOM 1519 CB LYS A 90 -4.726 -8.528 -7.482 1.00 43.14 C ATOM 1520 CG LYS A 90 -4.202 -8.146 -8.874 1.00 44.14 C ATOM 1521 CD LYS A 90 -5.222 -8.450 -9.979 1.00 4.11 C ATOM 1522 CE LYS A 90 -4.706 -8.093 -11.374 1.00 2.42 C ATOM 1523 NZ LYS A 90 -5.568 -8.650 -12.427 1.00 43.54 N1+ ATOM 0 H LYS A 90 -3.801 -10.907 -6.629 1.00 70.41 H new ATOM 0 HA LYS A 90 -2.829 -8.105 -6.547 1.00 43.31 H new ATOM 0 HB2 LYS A 90 -5.383 -9.392 -7.577 1.00 43.14 H new ATOM 0 HB3 LYS A 90 -5.332 -7.708 -7.095 1.00 43.14 H new ATOM 0 HG2 LYS A 90 -3.957 -7.084 -8.890 1.00 44.14 H new ATOM 0 HG3 LYS A 90 -3.278 -8.689 -9.075 1.00 44.14 H new ATOM 0 HD2 LYS A 90 -5.477 -9.509 -9.951 1.00 4.11 H new ATOM 0 HD3 LYS A 90 -6.140 -7.896 -9.783 1.00 4.11 H new ATOM 0 HE2 LYS A 90 -4.657 -7.009 -11.478 1.00 2.42 H new ATOM 0 HE3 LYS A 90 -3.691 -8.471 -11.495 1.00 2.42 H new ATOM 0 HZ1 LYS A 90 -5.228 -8.333 -13.357 1.00 43.54 H new ATOM 0 HZ2 LYS A 90 -5.541 -9.689 -12.384 1.00 43.54 H new ATOM 0 HZ3 LYS A 90 -6.545 -8.323 -12.285 1.00 43.54 H new ATOM 1537 N LEU A 91 -3.456 -8.048 -4.173 1.00 54.14 N ATOM 1538 CA LEU A 91 -3.882 -7.716 -2.815 1.00 71.14 C ATOM 1539 C LEU A 91 -5.031 -6.691 -2.850 1.00 73.50 C ATOM 1540 O LEU A 91 -5.028 -5.804 -3.702 1.00 41.45 O ATOM 1541 CB LEU A 91 -2.674 -7.170 -2.016 1.00 34.10 C ATOM 1542 CG LEU A 91 -2.080 -8.157 -0.990 1.00 33.12 C ATOM 1543 CD1 LEU A 91 -1.484 -9.422 -1.632 1.00 43.11 C ATOM 1544 CD2 LEU A 91 -1.042 -7.449 -0.111 1.00 11.33 C ATOM 0 H LEU A 91 -2.558 -7.632 -4.420 1.00 54.14 H new ATOM 0 HA LEU A 91 -4.252 -8.614 -2.320 1.00 71.14 H new ATOM 0 HB2 LEU A 91 -1.891 -6.882 -2.718 1.00 34.10 H new ATOM 0 HB3 LEU A 91 -2.981 -6.264 -1.493 1.00 34.10 H new ATOM 0 HG LEU A 91 -2.908 -8.498 -0.369 1.00 33.12 H new ATOM 0 HD11 LEU A 91 -1.084 -10.072 -0.853 1.00 43.11 H new ATOM 0 HD12 LEU A 91 -2.262 -9.952 -2.182 1.00 43.11 H new ATOM 0 HD13 LEU A 91 -0.683 -9.140 -2.316 1.00 43.11 H new ATOM 0 HD21 LEU A 91 -0.631 -8.157 0.609 1.00 11.33 H new ATOM 0 HD22 LEU A 91 -0.239 -7.061 -0.737 1.00 11.33 H new ATOM 0 HD23 LEU A 91 -1.517 -6.625 0.422 1.00 11.33 H new ATOM 1556 N VAL A 92 -5.981 -6.833 -1.915 1.00 32.00 N ATOM 1557 CA VAL A 92 -7.175 -5.995 -1.813 1.00 22.23 C ATOM 1558 C VAL A 92 -7.397 -5.629 -0.335 1.00 44.13 C ATOM 1559 O VAL A 92 -7.329 -6.510 0.521 1.00 43.41 O ATOM 1560 CB VAL A 92 -8.440 -6.751 -2.328 1.00 73.14 C ATOM 1561 CG1 VAL A 92 -9.753 -5.954 -2.170 1.00 43.24 C ATOM 1562 CG2 VAL A 92 -8.292 -7.199 -3.795 1.00 33.22 C ATOM 0 H VAL A 92 -5.935 -7.552 -1.193 1.00 32.00 H new ATOM 0 HA VAL A 92 -7.025 -5.104 -2.423 1.00 22.23 H new ATOM 0 HB VAL A 92 -8.509 -7.629 -1.685 1.00 73.14 H new ATOM 0 HG11 VAL A 92 -10.586 -6.546 -2.550 1.00 43.24 H new ATOM 0 HG12 VAL A 92 -9.918 -5.730 -1.116 1.00 43.24 H new ATOM 0 HG13 VAL A 92 -9.683 -5.023 -2.732 1.00 43.24 H new ATOM 0 HG21 VAL A 92 -9.196 -7.720 -4.109 1.00 33.22 H new ATOM 0 HG22 VAL A 92 -8.138 -6.325 -4.428 1.00 33.22 H new ATOM 0 HG23 VAL A 92 -7.437 -7.869 -3.886 1.00 33.22 H new ATOM 1572 N THR A 93 -7.696 -4.347 -0.069 1.00 63.53 N ATOM 1573 CA THR A 93 -8.020 -3.844 1.266 1.00 13.43 C ATOM 1574 C THR A 93 -8.817 -2.524 1.174 1.00 2.45 C ATOM 1575 O THR A 93 -8.823 -1.864 0.134 1.00 12.21 O ATOM 1576 CB THR A 93 -6.740 -3.669 2.142 1.00 65.32 C ATOM 1577 OG1 THR A 93 -7.063 -3.386 3.491 1.00 23.40 O ATOM 1578 CG2 THR A 93 -5.780 -2.557 1.688 1.00 32.30 C ATOM 0 H THR A 93 -7.718 -3.625 -0.789 1.00 63.53 H new ATOM 0 HA THR A 93 -8.648 -4.588 1.757 1.00 13.43 H new ATOM 0 HB THR A 93 -6.238 -4.630 2.028 1.00 65.32 H new ATOM 0 HG1 THR A 93 -7.428 -4.190 3.916 1.00 23.40 H new ATOM 0 HG21 THR A 93 -4.924 -2.518 2.362 1.00 32.30 H new ATOM 0 HG22 THR A 93 -5.435 -2.765 0.675 1.00 32.30 H new ATOM 0 HG23 THR A 93 -6.299 -1.599 1.705 1.00 32.30 H new ATOM 1586 N THR A 94 -9.491 -2.171 2.273 1.00 31.54 N ATOM 1587 CA THR A 94 -10.201 -0.908 2.483 1.00 61.25 C ATOM 1588 C THR A 94 -9.861 -0.390 3.898 1.00 52.21 C ATOM 1589 O THR A 94 -9.047 -1.005 4.585 1.00 72.24 O ATOM 1590 CB THR A 94 -11.738 -1.097 2.344 1.00 73.32 C ATOM 1591 OG1 THR A 94 -12.196 -2.164 3.155 1.00 22.12 O ATOM 1592 CG2 THR A 94 -12.192 -1.355 0.901 1.00 71.41 C ATOM 0 H THR A 94 -9.559 -2.791 3.080 1.00 31.54 H new ATOM 0 HA THR A 94 -9.887 -0.189 1.726 1.00 61.25 H new ATOM 0 HB THR A 94 -12.174 -0.153 2.672 1.00 73.32 H new ATOM 0 HG1 THR A 94 -13.166 -2.261 3.051 1.00 22.12 H new ATOM 0 HG21 THR A 94 -13.275 -1.478 0.877 1.00 71.41 H new ATOM 0 HG22 THR A 94 -11.908 -0.510 0.274 1.00 71.41 H new ATOM 0 HG23 THR A 94 -11.716 -2.261 0.526 1.00 71.41 H new ATOM 1600 N PHE A 95 -10.435 0.755 4.298 1.00 12.34 N ATOM 1601 CA PHE A 95 -10.222 1.352 5.619 1.00 32.24 C ATOM 1602 C PHE A 95 -11.553 1.899 6.148 1.00 42.34 C ATOM 1603 O PHE A 95 -12.159 1.279 7.021 1.00 52.11 O ATOM 1604 CB PHE A 95 -9.118 2.438 5.569 1.00 51.52 C ATOM 1605 CG PHE A 95 -7.734 1.951 5.183 1.00 14.51 C ATOM 1606 CD1 PHE A 95 -7.302 2.028 3.842 1.00 42.12 C ATOM 1607 CD2 PHE A 95 -6.926 1.277 6.121 1.00 64.50 C ATOM 1608 CE1 PHE A 95 -6.061 1.522 3.477 1.00 24.11 C ATOM 1609 CE2 PHE A 95 -5.687 0.781 5.737 1.00 31.44 C ATOM 1610 CZ PHE A 95 -5.253 0.910 4.424 1.00 4.31 C ATOM 0 H PHE A 95 -11.066 1.295 3.705 1.00 12.34 H new ATOM 0 HA PHE A 95 -9.868 0.588 6.311 1.00 32.24 H new ATOM 0 HB2 PHE A 95 -9.423 3.208 4.860 1.00 51.52 H new ATOM 0 HB3 PHE A 95 -9.056 2.913 6.548 1.00 51.52 H new ATOM 0 HD1 PHE A 95 -7.938 2.482 3.097 1.00 42.12 H new ATOM 0 HD2 PHE A 95 -7.270 1.147 7.136 1.00 64.50 H new ATOM 0 HE1 PHE A 95 -5.725 1.605 2.454 1.00 24.11 H new ATOM 0 HE2 PHE A 95 -5.056 0.292 6.464 1.00 31.44 H new ATOM 0 HZ PHE A 95 -4.282 0.532 4.139 1.00 4.31 H new ATOM 1620 N LYS A 96 -11.968 3.057 5.609 1.00 53.44 N ATOM 1621 CA LYS A 96 -13.188 3.778 5.970 1.00 45.34 C ATOM 1622 C LYS A 96 -13.928 4.201 4.692 1.00 4.11 C ATOM 1623 O LYS A 96 -15.126 3.956 4.572 1.00 13.52 O ATOM 1624 CB LYS A 96 -12.835 5.025 6.818 1.00 23.43 C ATOM 1625 CG LYS A 96 -12.188 4.714 8.181 1.00 21.04 C ATOM 1626 CD LYS A 96 -11.682 5.946 8.957 1.00 75.14 C ATOM 1627 CE LYS A 96 -12.772 6.904 9.472 1.00 20.32 C ATOM 1628 NZ LYS A 96 -13.293 7.789 8.415 1.00 11.43 N1+ ATOM 0 H LYS A 96 -11.436 3.532 4.880 1.00 53.44 H new ATOM 0 HA LYS A 96 -13.832 3.126 6.560 1.00 45.34 H new ATOM 0 HB2 LYS A 96 -12.157 5.657 6.245 1.00 23.43 H new ATOM 0 HB3 LYS A 96 -13.744 5.603 6.986 1.00 23.43 H new ATOM 0 HG2 LYS A 96 -12.914 4.187 8.799 1.00 21.04 H new ATOM 0 HG3 LYS A 96 -11.351 4.034 8.022 1.00 21.04 H new ATOM 0 HD2 LYS A 96 -11.096 5.601 9.809 1.00 75.14 H new ATOM 0 HD3 LYS A 96 -11.006 6.507 8.311 1.00 75.14 H new ATOM 0 HE2 LYS A 96 -13.593 6.323 9.892 1.00 20.32 H new ATOM 0 HE3 LYS A 96 -12.365 7.511 10.281 1.00 20.32 H new ATOM 0 HZ1 LYS A 96 -13.439 8.743 8.802 1.00 11.43 H new ATOM 0 HZ2 LYS A 96 -12.610 7.834 7.632 1.00 11.43 H new ATOM 0 HZ3 LYS A 96 -14.198 7.415 8.064 1.00 11.43 H new ATOM 1642 N ASN A 97 -13.182 4.832 3.773 1.00 10.42 N ATOM 1643 CA ASN A 97 -13.656 5.391 2.504 1.00 75.11 C ATOM 1644 C ASN A 97 -12.574 5.323 1.404 1.00 61.01 C ATOM 1645 O ASN A 97 -12.818 5.797 0.294 1.00 22.13 O ATOM 1646 CB ASN A 97 -14.193 6.833 2.721 1.00 25.42 C ATOM 1647 CG ASN A 97 -13.139 7.879 3.126 1.00 61.20 C ATOM 1648 OD1 ASN A 97 -12.279 7.625 3.967 1.00 11.33 O ATOM 1649 ND2 ASN A 97 -13.217 9.074 2.540 1.00 5.41 N ATOM 0 H ASN A 97 -12.180 4.972 3.904 1.00 10.42 H new ATOM 0 HA ASN A 97 -14.483 4.778 2.146 1.00 75.11 H new ATOM 0 HB2 ASN A 97 -14.674 7.165 1.801 1.00 25.42 H new ATOM 0 HB3 ASN A 97 -14.964 6.803 3.491 1.00 25.42 H new ATOM 0 HD21 ASN A 97 -12.552 9.807 2.786 1.00 5.41 H new ATOM 0 HD22 ASN A 97 -13.942 9.255 1.846 1.00 5.41 H new ATOM 1656 N ILE A 98 -11.407 4.748 1.735 1.00 61.54 N ATOM 1657 CA ILE A 98 -10.258 4.582 0.855 1.00 2.05 C ATOM 1658 C ILE A 98 -10.200 3.097 0.460 1.00 35.23 C ATOM 1659 O ILE A 98 -10.090 2.250 1.347 1.00 55.31 O ATOM 1660 CB ILE A 98 -8.936 4.959 1.593 1.00 14.22 C ATOM 1661 CG1 ILE A 98 -8.938 6.433 2.062 1.00 63.21 C ATOM 1662 CG2 ILE A 98 -7.659 4.670 0.767 1.00 52.21 C ATOM 1663 CD1 ILE A 98 -7.918 6.738 3.167 1.00 5.42 C ATOM 0 H ILE A 98 -11.239 4.372 2.668 1.00 61.54 H new ATOM 0 HA ILE A 98 -10.360 5.230 -0.016 1.00 2.05 H new ATOM 0 HB ILE A 98 -8.907 4.308 2.466 1.00 14.22 H new ATOM 0 HG12 ILE A 98 -8.734 7.076 1.206 1.00 63.21 H new ATOM 0 HG13 ILE A 98 -9.935 6.688 2.422 1.00 63.21 H new ATOM 0 HG21 ILE A 98 -6.780 4.957 1.344 1.00 52.21 H new ATOM 0 HG22 ILE A 98 -7.609 3.606 0.535 1.00 52.21 H new ATOM 0 HG23 ILE A 98 -7.688 5.243 -0.160 1.00 52.21 H new ATOM 0 HD11 ILE A 98 -7.982 7.791 3.440 1.00 5.42 H new ATOM 0 HD12 ILE A 98 -8.133 6.123 4.041 1.00 5.42 H new ATOM 0 HD13 ILE A 98 -6.914 6.517 2.806 1.00 5.42 H new ATOM 1675 N LYS A 99 -10.282 2.820 -0.849 1.00 53.13 N ATOM 1676 CA LYS A 99 -10.225 1.477 -1.423 1.00 15.10 C ATOM 1677 C LYS A 99 -8.881 1.307 -2.141 1.00 10.35 C ATOM 1678 O LYS A 99 -8.645 1.978 -3.145 1.00 24.53 O ATOM 1679 CB LYS A 99 -11.439 1.279 -2.356 1.00 51.34 C ATOM 1680 CG LYS A 99 -11.487 -0.083 -3.075 1.00 22.43 C ATOM 1681 CD LYS A 99 -12.747 -0.247 -3.948 1.00 32.12 C ATOM 1682 CE LYS A 99 -12.451 -0.712 -5.383 1.00 42.11 C ATOM 1683 NZ LYS A 99 -11.862 -2.062 -5.418 1.00 33.01 N1+ ATOM 0 H LYS A 99 -10.393 3.548 -1.554 1.00 53.13 H new ATOM 0 HA LYS A 99 -10.283 0.707 -0.653 1.00 15.10 H new ATOM 0 HB2 LYS A 99 -12.351 1.398 -1.772 1.00 51.34 H new ATOM 0 HB3 LYS A 99 -11.436 2.070 -3.106 1.00 51.34 H new ATOM 0 HG2 LYS A 99 -10.600 -0.192 -3.699 1.00 22.43 H new ATOM 0 HG3 LYS A 99 -11.456 -0.882 -2.334 1.00 22.43 H new ATOM 0 HD2 LYS A 99 -13.415 -0.966 -3.474 1.00 32.12 H new ATOM 0 HD3 LYS A 99 -13.277 0.704 -3.986 1.00 32.12 H new ATOM 0 HE2 LYS A 99 -13.373 -0.704 -5.964 1.00 42.11 H new ATOM 0 HE3 LYS A 99 -11.769 -0.007 -5.859 1.00 42.11 H new ATOM 0 HZ1 LYS A 99 -11.679 -2.335 -6.405 1.00 33.01 H new ATOM 0 HZ2 LYS A 99 -10.968 -2.065 -4.886 1.00 33.01 H new ATOM 0 HZ3 LYS A 99 -12.523 -2.740 -4.988 1.00 33.01 H new ATOM 1697 N SER A 100 -8.040 0.414 -1.602 1.00 21.55 N ATOM 1698 CA SER A 100 -6.668 0.183 -2.045 1.00 50.10 C ATOM 1699 C SER A 100 -6.547 -1.220 -2.655 1.00 4.35 C ATOM 1700 O SER A 100 -6.948 -2.198 -2.024 1.00 70.42 O ATOM 1701 CB SER A 100 -5.740 0.313 -0.824 1.00 11.03 C ATOM 1702 OG SER A 100 -5.671 1.653 -0.387 1.00 24.44 O ATOM 0 H SER A 100 -8.309 -0.184 -0.821 1.00 21.55 H new ATOM 0 HA SER A 100 -6.388 0.913 -2.805 1.00 50.10 H new ATOM 0 HB2 SER A 100 -6.105 -0.320 -0.015 1.00 11.03 H new ATOM 0 HB3 SER A 100 -4.742 -0.042 -1.081 1.00 11.03 H new ATOM 0 HG SER A 100 -5.078 1.713 0.391 1.00 24.44 H new ATOM 1708 N VAL A 101 -5.972 -1.298 -3.863 1.00 45.05 N ATOM 1709 CA VAL A 101 -5.714 -2.548 -4.573 1.00 23.22 C ATOM 1710 C VAL A 101 -4.271 -2.506 -5.098 1.00 63.20 C ATOM 1711 O VAL A 101 -3.939 -1.622 -5.887 1.00 62.11 O ATOM 1712 CB VAL A 101 -6.687 -2.758 -5.770 1.00 2.42 C ATOM 1713 CG1 VAL A 101 -6.394 -4.039 -6.587 1.00 0.50 C ATOM 1714 CG2 VAL A 101 -8.158 -2.773 -5.316 1.00 60.44 C ATOM 0 H VAL A 101 -5.669 -0.473 -4.381 1.00 45.05 H new ATOM 0 HA VAL A 101 -5.867 -3.377 -3.881 1.00 23.22 H new ATOM 0 HB VAL A 101 -6.515 -1.902 -6.423 1.00 2.42 H new ATOM 0 HG11 VAL A 101 -7.110 -4.121 -7.405 1.00 0.50 H new ATOM 0 HG12 VAL A 101 -5.384 -3.988 -6.993 1.00 0.50 H new ATOM 0 HG13 VAL A 101 -6.481 -4.911 -5.939 1.00 0.50 H new ATOM 0 HG21 VAL A 101 -8.804 -2.922 -6.181 1.00 60.44 H new ATOM 0 HG22 VAL A 101 -8.311 -3.585 -4.605 1.00 60.44 H new ATOM 0 HG23 VAL A 101 -8.402 -1.823 -4.840 1.00 60.44 H new ATOM 1724 N THR A 102 -3.452 -3.471 -4.660 1.00 1.42 N ATOM 1725 CA THR A 102 -2.090 -3.697 -5.149 1.00 32.21 C ATOM 1726 C THR A 102 -2.090 -4.901 -6.111 1.00 75.43 C ATOM 1727 O THR A 102 -2.989 -5.737 -6.045 1.00 20.23 O ATOM 1728 CB THR A 102 -1.116 -3.970 -3.971 1.00 51.52 C ATOM 1729 OG1 THR A 102 -1.147 -2.866 -3.090 1.00 54.43 O ATOM 1730 CG2 THR A 102 0.360 -4.206 -4.348 1.00 34.32 C ATOM 0 H THR A 102 -3.729 -4.133 -3.935 1.00 1.42 H new ATOM 0 HA THR A 102 -1.753 -2.802 -5.671 1.00 32.21 H new ATOM 0 HB THR A 102 -1.473 -4.901 -3.531 1.00 51.52 H new ATOM 0 HG1 THR A 102 -0.536 -3.028 -2.341 1.00 54.43 H new ATOM 0 HG21 THR A 102 0.942 -4.386 -3.444 1.00 34.32 H new ATOM 0 HG22 THR A 102 0.434 -5.072 -5.005 1.00 34.32 H new ATOM 0 HG23 THR A 102 0.749 -3.327 -4.862 1.00 34.32 H new ATOM 1738 N GLU A 103 -1.094 -4.947 -7.004 1.00 20.12 N ATOM 1739 CA GLU A 103 -0.893 -5.959 -8.033 1.00 73.42 C ATOM 1740 C GLU A 103 0.603 -6.301 -8.106 1.00 13.32 C ATOM 1741 O GLU A 103 1.435 -5.400 -8.010 1.00 20.43 O ATOM 1742 CB GLU A 103 -1.449 -5.400 -9.365 1.00 53.31 C ATOM 1743 CG GLU A 103 -1.105 -6.197 -10.641 1.00 32.21 C ATOM 1744 CD GLU A 103 -1.571 -5.481 -11.909 1.00 32.03 C ATOM 1745 OE1 GLU A 103 -0.775 -4.669 -12.427 1.00 65.33 O ATOM 1746 OE2 GLU A 103 -2.709 -5.760 -12.342 1.00 34.52 O1- ATOM 0 H GLU A 103 -0.366 -4.233 -7.024 1.00 20.12 H new ATOM 0 HA GLU A 103 -1.423 -6.885 -7.809 1.00 73.42 H new ATOM 0 HB2 GLU A 103 -2.534 -5.338 -9.283 1.00 53.31 H new ATOM 0 HB3 GLU A 103 -1.080 -4.382 -9.488 1.00 53.31 H new ATOM 0 HG2 GLU A 103 -0.028 -6.355 -10.690 1.00 32.21 H new ATOM 0 HG3 GLU A 103 -1.570 -7.182 -10.589 1.00 32.21 H new ATOM 1753 N LEU A 104 0.901 -7.588 -8.326 1.00 42.30 N ATOM 1754 CA LEU A 104 2.235 -8.117 -8.601 1.00 11.24 C ATOM 1755 C LEU A 104 2.159 -8.794 -9.975 1.00 73.12 C ATOM 1756 O LEU A 104 1.390 -9.741 -10.129 1.00 4.51 O ATOM 1757 CB LEU A 104 2.608 -9.118 -7.477 1.00 54.01 C ATOM 1758 CG LEU A 104 4.097 -9.523 -7.360 1.00 32.33 C ATOM 1759 CD1 LEU A 104 4.314 -10.464 -6.166 1.00 75.11 C ATOM 1760 CD2 LEU A 104 4.717 -10.113 -8.636 1.00 4.54 C ATOM 0 H LEU A 104 0.187 -8.316 -8.316 1.00 42.30 H new ATOM 0 HA LEU A 104 3.004 -7.345 -8.619 1.00 11.24 H new ATOM 0 HB2 LEU A 104 2.298 -8.688 -6.524 1.00 54.01 H new ATOM 0 HB3 LEU A 104 2.021 -10.025 -7.623 1.00 54.01 H new ATOM 0 HG LEU A 104 4.629 -8.586 -7.196 1.00 32.33 H new ATOM 0 HD11 LEU A 104 5.368 -10.735 -6.103 1.00 75.11 H new ATOM 0 HD12 LEU A 104 4.014 -9.961 -5.247 1.00 75.11 H new ATOM 0 HD13 LEU A 104 3.715 -11.365 -6.299 1.00 75.11 H new ATOM 0 HD21 LEU A 104 5.761 -10.364 -8.451 1.00 4.54 H new ATOM 0 HD22 LEU A 104 4.173 -11.013 -8.922 1.00 4.54 H new ATOM 0 HD23 LEU A 104 4.657 -9.381 -9.442 1.00 4.54 H new ATOM 1772 N ASN A 105 2.963 -8.317 -10.938 1.00 34.14 N ATOM 1773 CA ASN A 105 3.142 -8.907 -12.269 1.00 71.15 C ATOM 1774 C ASN A 105 4.653 -9.049 -12.502 1.00 24.52 C ATOM 1775 O ASN A 105 5.263 -8.190 -13.139 1.00 10.23 O ATOM 1776 CB ASN A 105 2.436 -8.022 -13.332 1.00 53.44 C ATOM 1777 CG ASN A 105 0.984 -8.423 -13.637 1.00 71.14 C ATOM 1778 OD1 ASN A 105 0.637 -8.639 -14.796 1.00 72.43 O ATOM 1779 ND2 ASN A 105 0.124 -8.533 -12.625 1.00 74.43 N ATOM 0 H ASN A 105 3.527 -7.478 -10.803 1.00 34.14 H new ATOM 0 HA ASN A 105 2.685 -9.893 -12.349 1.00 71.15 H new ATOM 0 HB2 ASN A 105 2.449 -6.987 -12.990 1.00 53.44 H new ATOM 0 HB3 ASN A 105 3.011 -8.060 -14.257 1.00 53.44 H new ATOM 0 HD21 ASN A 105 -0.844 -8.801 -12.805 1.00 74.43 H new ATOM 0 HD22 ASN A 105 0.433 -8.349 -11.671 1.00 74.43 H new ATOM 1786 N GLY A 106 5.222 -10.152 -11.983 1.00 41.51 N ATOM 1787 CA GLY A 106 6.623 -10.535 -12.162 1.00 24.53 C ATOM 1788 C GLY A 106 7.542 -9.595 -11.375 1.00 44.41 C ATOM 1789 O GLY A 106 7.556 -9.619 -10.145 1.00 71.31 O ATOM 0 H GLY A 106 4.700 -10.817 -11.412 1.00 41.51 H new ATOM 0 HA2 GLY A 106 6.771 -11.562 -11.827 1.00 24.53 H new ATOM 0 HA3 GLY A 106 6.882 -10.504 -13.220 1.00 24.53 H new ATOM 1793 N ASP A 107 8.325 -8.787 -12.104 1.00 35.04 N ATOM 1794 CA ASP A 107 9.172 -7.719 -11.564 1.00 74.01 C ATOM 1795 C ASP A 107 8.385 -6.434 -11.237 1.00 4.24 C ATOM 1796 O ASP A 107 8.855 -5.658 -10.410 1.00 62.20 O ATOM 1797 CB ASP A 107 10.407 -7.379 -12.448 1.00 2.23 C ATOM 1798 CG ASP A 107 10.208 -7.295 -13.970 1.00 32.02 C ATOM 1799 OD1 ASP A 107 11.244 -7.101 -14.643 1.00 52.24 O ATOM 1800 OD2 ASP A 107 9.055 -7.390 -14.441 1.00 30.24 O1- ATOM 0 H ASP A 107 8.387 -8.863 -13.119 1.00 35.04 H new ATOM 0 HA ASP A 107 9.552 -8.136 -10.631 1.00 74.01 H new ATOM 0 HB2 ASP A 107 10.805 -6.422 -12.111 1.00 2.23 H new ATOM 0 HB3 ASP A 107 11.173 -8.129 -12.253 1.00 2.23 H new ATOM 1805 N ILE A 108 7.229 -6.216 -11.889 1.00 2.50 N ATOM 1806 CA ILE A 108 6.441 -4.988 -11.775 1.00 64.11 C ATOM 1807 C ILE A 108 5.458 -5.079 -10.591 1.00 2.11 C ATOM 1808 O ILE A 108 4.800 -6.106 -10.426 1.00 22.32 O ATOM 1809 CB ILE A 108 5.618 -4.710 -13.071 1.00 55.52 C ATOM 1810 CG1 ILE A 108 6.482 -4.782 -14.353 1.00 22.44 C ATOM 1811 CG2 ILE A 108 4.839 -3.375 -13.026 1.00 22.33 C ATOM 1812 CD1 ILE A 108 7.748 -3.911 -14.338 1.00 60.45 C ATOM 0 H ILE A 108 6.814 -6.903 -12.519 1.00 2.50 H new ATOM 0 HA ILE A 108 7.149 -4.175 -11.616 1.00 64.11 H new ATOM 0 HB ILE A 108 4.884 -5.515 -13.111 1.00 55.52 H new ATOM 0 HG12 ILE A 108 6.776 -5.819 -14.516 1.00 22.44 H new ATOM 0 HG13 ILE A 108 5.867 -4.487 -15.203 1.00 22.44 H new ATOM 0 HG21 ILE A 108 4.288 -3.243 -13.958 1.00 22.33 H new ATOM 0 HG22 ILE A 108 4.140 -3.390 -12.190 1.00 22.33 H new ATOM 0 HG23 ILE A 108 5.539 -2.549 -12.899 1.00 22.33 H new ATOM 0 HD11 ILE A 108 8.284 -4.031 -15.280 1.00 60.45 H new ATOM 0 HD12 ILE A 108 7.469 -2.865 -14.211 1.00 60.45 H new ATOM 0 HD13 ILE A 108 8.391 -4.218 -13.513 1.00 60.45 H new ATOM 1824 N ILE A 109 5.362 -3.985 -9.820 1.00 40.12 N ATOM 1825 CA ILE A 109 4.406 -3.813 -8.728 1.00 22.33 C ATOM 1826 C ILE A 109 3.570 -2.561 -9.028 1.00 1.23 C ATOM 1827 O ILE A 109 4.078 -1.448 -8.908 1.00 51.11 O ATOM 1828 CB ILE A 109 5.103 -3.611 -7.348 1.00 71.12 C ATOM 1829 CG1 ILE A 109 6.080 -4.749 -7.010 1.00 33.11 C ATOM 1830 CG2 ILE A 109 4.122 -3.367 -6.176 1.00 12.12 C ATOM 1831 CD1 ILE A 109 5.462 -6.149 -6.962 1.00 34.14 C ATOM 0 H ILE A 109 5.968 -3.174 -9.947 1.00 40.12 H new ATOM 0 HA ILE A 109 3.799 -4.716 -8.665 1.00 22.33 H new ATOM 0 HB ILE A 109 5.678 -2.692 -7.467 1.00 71.12 H new ATOM 0 HG12 ILE A 109 6.882 -4.749 -7.748 1.00 33.11 H new ATOM 0 HG13 ILE A 109 6.537 -4.538 -6.043 1.00 33.11 H new ATOM 0 HG21 ILE A 109 4.685 -3.236 -5.252 1.00 12.12 H new ATOM 0 HG22 ILE A 109 3.535 -2.470 -6.374 1.00 12.12 H new ATOM 0 HG23 ILE A 109 3.454 -4.223 -6.076 1.00 12.12 H new ATOM 0 HD11 ILE A 109 6.233 -6.879 -6.716 1.00 34.14 H new ATOM 0 HD12 ILE A 109 4.681 -6.176 -6.202 1.00 34.14 H new ATOM 0 HD13 ILE A 109 5.031 -6.390 -7.934 1.00 34.14 H new ATOM 1843 N THR A 110 2.304 -2.773 -9.399 1.00 33.21 N ATOM 1844 CA THR A 110 1.328 -1.705 -9.619 1.00 2.23 C ATOM 1845 C THR A 110 0.437 -1.562 -8.368 1.00 12.04 C ATOM 1846 O THR A 110 0.239 -2.536 -7.645 1.00 75.51 O ATOM 1847 CB THR A 110 0.428 -2.023 -10.841 1.00 74.14 C ATOM 1848 OG1 THR A 110 1.227 -2.376 -11.953 1.00 72.01 O ATOM 1849 CG2 THR A 110 -0.498 -0.876 -11.285 1.00 2.10 C ATOM 0 H THR A 110 1.924 -3.706 -9.557 1.00 33.21 H new ATOM 0 HA THR A 110 1.869 -0.778 -9.810 1.00 2.23 H new ATOM 0 HB THR A 110 -0.208 -2.842 -10.506 1.00 74.14 H new ATOM 0 HG1 THR A 110 0.843 -3.162 -12.396 1.00 72.01 H new ATOM 0 HG21 THR A 110 -1.086 -1.195 -12.145 1.00 2.10 H new ATOM 0 HG22 THR A 110 -1.167 -0.611 -10.466 1.00 2.10 H new ATOM 0 HG23 THR A 110 0.103 -0.008 -11.558 1.00 2.10 H new ATOM 1857 N ASN A 111 -0.081 -0.352 -8.126 1.00 1.30 N ATOM 1858 CA ASN A 111 -0.982 -0.034 -7.022 1.00 43.31 C ATOM 1859 C ASN A 111 -1.957 1.051 -7.494 1.00 23.34 C ATOM 1860 O ASN A 111 -1.553 1.957 -8.219 1.00 30.24 O ATOM 1861 CB ASN A 111 -0.140 0.347 -5.774 1.00 72.52 C ATOM 1862 CG ASN A 111 -0.946 0.886 -4.581 1.00 11.42 C ATOM 1863 OD1 ASN A 111 -0.757 2.027 -4.170 1.00 15.41 O ATOM 1864 ND2 ASN A 111 -1.844 0.073 -4.023 1.00 44.55 N ATOM 0 H ASN A 111 0.125 0.455 -8.714 1.00 1.30 H new ATOM 0 HA ASN A 111 -1.589 -0.887 -6.720 1.00 43.31 H new ATOM 0 HB2 ASN A 111 0.416 -0.532 -5.449 1.00 72.52 H new ATOM 0 HB3 ASN A 111 0.593 1.099 -6.066 1.00 72.52 H new ATOM 0 HD21 ASN A 111 -2.399 0.394 -3.230 1.00 44.55 H new ATOM 0 HD22 ASN A 111 -1.976 -0.870 -4.390 1.00 44.55 H new ATOM 1871 N THR A 112 -3.216 0.921 -7.058 1.00 70.33 N ATOM 1872 CA THR A 112 -4.303 1.868 -7.281 1.00 53.43 C ATOM 1873 C THR A 112 -5.013 2.111 -5.938 1.00 64.33 C ATOM 1874 O THR A 112 -5.338 1.148 -5.246 1.00 23.24 O ATOM 1875 CB THR A 112 -5.348 1.306 -8.283 1.00 52.13 C ATOM 1876 OG1 THR A 112 -4.719 1.039 -9.521 1.00 1.20 O ATOM 1877 CG2 THR A 112 -6.537 2.242 -8.567 1.00 71.42 C ATOM 0 H THR A 112 -3.513 0.111 -6.514 1.00 70.33 H new ATOM 0 HA THR A 112 -3.884 2.787 -7.691 1.00 53.43 H new ATOM 0 HB THR A 112 -5.745 0.409 -7.807 1.00 52.13 H new ATOM 0 HG1 THR A 112 -5.378 0.683 -10.153 1.00 1.20 H new ATOM 0 HG21 THR A 112 -7.213 1.766 -9.277 1.00 71.42 H new ATOM 0 HG22 THR A 112 -7.070 2.445 -7.638 1.00 71.42 H new ATOM 0 HG23 THR A 112 -6.171 3.178 -8.987 1.00 71.42 H new ATOM 1885 N MET A 113 -5.248 3.387 -5.604 1.00 51.12 N ATOM 1886 CA MET A 113 -5.938 3.833 -4.397 1.00 1.03 C ATOM 1887 C MET A 113 -7.010 4.855 -4.787 1.00 4.14 C ATOM 1888 O MET A 113 -6.663 5.914 -5.305 1.00 24.23 O ATOM 1889 CB MET A 113 -4.943 4.480 -3.414 1.00 21.14 C ATOM 1890 CG MET A 113 -3.870 3.529 -2.866 1.00 14.13 C ATOM 1891 SD MET A 113 -2.691 4.290 -1.712 1.00 42.25 S ATOM 1892 CE MET A 113 -3.797 4.950 -0.434 1.00 63.21 C ATOM 0 H MET A 113 -4.949 4.164 -6.194 1.00 51.12 H new ATOM 0 HA MET A 113 -6.398 2.973 -3.909 1.00 1.03 H new ATOM 0 HB2 MET A 113 -4.449 5.313 -3.914 1.00 21.14 H new ATOM 0 HB3 MET A 113 -5.501 4.897 -2.576 1.00 21.14 H new ATOM 0 HG2 MET A 113 -4.364 2.698 -2.362 1.00 14.13 H new ATOM 0 HG3 MET A 113 -3.315 3.109 -3.705 1.00 14.13 H new ATOM 0 HE1 MET A 113 -3.217 5.202 0.454 1.00 63.21 H new ATOM 0 HE2 MET A 113 -4.294 5.845 -0.809 1.00 63.21 H new ATOM 0 HE3 MET A 113 -4.545 4.200 -0.178 1.00 63.21 H new ATOM 1902 N THR A 114 -8.278 4.539 -4.494 1.00 31.21 N ATOM 1903 CA THR A 114 -9.416 5.426 -4.720 1.00 32.02 C ATOM 1904 C THR A 114 -9.865 6.022 -3.375 1.00 0.44 C ATOM 1905 O THR A 114 -10.412 5.297 -2.545 1.00 11.44 O ATOM 1906 CB THR A 114 -10.609 4.659 -5.351 1.00 42.22 C ATOM 1907 OG1 THR A 114 -10.201 4.144 -6.603 1.00 43.55 O ATOM 1908 CG2 THR A 114 -11.873 5.509 -5.586 1.00 33.33 C ATOM 0 H THR A 114 -8.542 3.642 -4.086 1.00 31.21 H new ATOM 0 HA THR A 114 -9.106 6.213 -5.407 1.00 32.02 H new ATOM 0 HB THR A 114 -10.878 3.884 -4.633 1.00 42.22 H new ATOM 0 HG1 THR A 114 -10.944 3.655 -7.013 1.00 43.55 H new ATOM 0 HG21 THR A 114 -12.652 4.888 -6.029 1.00 33.33 H new ATOM 0 HG22 THR A 114 -12.225 5.908 -4.635 1.00 33.33 H new ATOM 0 HG23 THR A 114 -11.638 6.332 -6.260 1.00 33.33 H new ATOM 1916 N LEU A 115 -9.633 7.333 -3.208 1.00 10.34 N ATOM 1917 CA LEU A 115 -10.126 8.148 -2.099 1.00 5.52 C ATOM 1918 C LEU A 115 -11.068 9.193 -2.702 1.00 24.12 C ATOM 1919 O LEU A 115 -10.598 10.197 -3.241 1.00 22.44 O ATOM 1920 CB LEU A 115 -8.929 8.775 -1.339 1.00 61.42 C ATOM 1921 CG LEU A 115 -9.268 9.874 -0.295 1.00 64.31 C ATOM 1922 CD1 LEU A 115 -10.317 9.445 0.753 1.00 24.21 C ATOM 1923 CD2 LEU A 115 -7.995 10.405 0.382 1.00 4.21 C ATOM 0 H LEU A 115 -9.074 7.871 -3.871 1.00 10.34 H new ATOM 0 HA LEU A 115 -10.675 7.560 -1.363 1.00 5.52 H new ATOM 0 HB2 LEU A 115 -8.392 7.975 -0.830 1.00 61.42 H new ATOM 0 HB3 LEU A 115 -8.245 9.201 -2.073 1.00 61.42 H new ATOM 0 HG LEU A 115 -9.732 10.682 -0.860 1.00 64.31 H new ATOM 0 HD11 LEU A 115 -10.498 10.268 1.445 1.00 24.21 H new ATOM 0 HD12 LEU A 115 -11.248 9.183 0.250 1.00 24.21 H new ATOM 0 HD13 LEU A 115 -9.947 8.581 1.305 1.00 24.21 H new ATOM 0 HD21 LEU A 115 -8.262 11.173 1.108 1.00 4.21 H new ATOM 0 HD22 LEU A 115 -7.485 9.587 0.890 1.00 4.21 H new ATOM 0 HD23 LEU A 115 -7.333 10.832 -0.371 1.00 4.21 H new ATOM 1935 N GLY A 116 -12.382 8.915 -2.630 1.00 61.13 N ATOM 1936 CA GLY A 116 -13.427 9.740 -3.239 1.00 30.35 C ATOM 1937 C GLY A 116 -13.261 9.745 -4.766 1.00 51.00 C ATOM 1938 O GLY A 116 -13.114 8.687 -5.378 1.00 22.24 O ATOM 0 H GLY A 116 -12.747 8.099 -2.139 1.00 61.13 H new ATOM 0 HA2 GLY A 116 -14.410 9.353 -2.972 1.00 30.35 H new ATOM 0 HA3 GLY A 116 -13.370 10.758 -2.854 1.00 30.35 H new ATOM 1942 N ASP A 117 -13.279 10.951 -5.358 1.00 63.23 N ATOM 1943 CA ASP A 117 -13.103 11.190 -6.796 1.00 14.31 C ATOM 1944 C ASP A 117 -11.627 11.320 -7.236 1.00 43.04 C ATOM 1945 O ASP A 117 -11.394 11.655 -8.398 1.00 1.34 O ATOM 1946 CB ASP A 117 -13.959 12.367 -7.346 1.00 3.04 C ATOM 1947 CG ASP A 117 -15.478 12.264 -7.141 1.00 74.25 C ATOM 1948 OD1 ASP A 117 -16.184 12.820 -8.011 1.00 74.43 O ATOM 1949 OD2 ASP A 117 -15.920 11.714 -6.109 1.00 23.23 O1- ATOM 0 H ASP A 117 -13.421 11.812 -4.830 1.00 63.23 H new ATOM 0 HA ASP A 117 -13.486 10.278 -7.255 1.00 14.31 H new ATOM 0 HB2 ASP A 117 -13.613 13.288 -6.877 1.00 3.04 H new ATOM 0 HB3 ASP A 117 -13.764 12.460 -8.414 1.00 3.04 H new ATOM 1954 N ILE A 118 -10.653 11.035 -6.351 1.00 4.54 N ATOM 1955 CA ILE A 118 -9.228 11.013 -6.696 1.00 44.24 C ATOM 1956 C ILE A 118 -8.747 9.555 -6.688 1.00 5.21 C ATOM 1957 O ILE A 118 -8.870 8.877 -5.666 1.00 5.44 O ATOM 1958 CB ILE A 118 -8.351 11.834 -5.704 1.00 22.24 C ATOM 1959 CG1 ILE A 118 -8.833 13.300 -5.624 1.00 24.45 C ATOM 1960 CG2 ILE A 118 -6.850 11.791 -6.080 1.00 14.20 C ATOM 1961 CD1 ILE A 118 -8.149 14.125 -4.526 1.00 24.45 C ATOM 0 H ILE A 118 -10.839 10.813 -5.373 1.00 4.54 H new ATOM 0 HA ILE A 118 -9.121 11.470 -7.680 1.00 44.24 H new ATOM 0 HB ILE A 118 -8.463 11.368 -4.725 1.00 22.24 H new ATOM 0 HG12 ILE A 118 -8.660 13.781 -6.586 1.00 24.45 H new ATOM 0 HG13 ILE A 118 -9.909 13.309 -5.453 1.00 24.45 H new ATOM 0 HG21 ILE A 118 -6.278 12.377 -5.361 1.00 14.20 H new ATOM 0 HG22 ILE A 118 -6.501 10.758 -6.066 1.00 14.20 H new ATOM 0 HG23 ILE A 118 -6.713 12.207 -7.078 1.00 14.20 H new ATOM 0 HD11 ILE A 118 -8.543 15.141 -4.536 1.00 24.45 H new ATOM 0 HD12 ILE A 118 -8.343 13.670 -3.555 1.00 24.45 H new ATOM 0 HD13 ILE A 118 -7.074 14.150 -4.706 1.00 24.45 H new ATOM 1973 N VAL A 119 -8.197 9.115 -7.832 1.00 72.05 N ATOM 1974 CA VAL A 119 -7.689 7.762 -8.035 1.00 54.42 C ATOM 1975 C VAL A 119 -6.166 7.842 -8.244 1.00 43.45 C ATOM 1976 O VAL A 119 -5.694 7.908 -9.381 1.00 32.12 O ATOM 1977 CB VAL A 119 -8.375 7.058 -9.245 1.00 54.43 C ATOM 1978 CG1 VAL A 119 -7.858 5.623 -9.489 1.00 63.22 C ATOM 1979 CG2 VAL A 119 -9.906 7.015 -9.068 1.00 54.54 C ATOM 0 H VAL A 119 -8.094 9.709 -8.655 1.00 72.05 H new ATOM 0 HA VAL A 119 -7.918 7.161 -7.155 1.00 54.42 H new ATOM 0 HB VAL A 119 -8.115 7.659 -10.117 1.00 54.43 H new ATOM 0 HG11 VAL A 119 -8.376 5.190 -10.345 1.00 63.22 H new ATOM 0 HG12 VAL A 119 -6.787 5.651 -9.690 1.00 63.22 H new ATOM 0 HG13 VAL A 119 -8.046 5.013 -8.605 1.00 63.22 H new ATOM 0 HG21 VAL A 119 -10.358 6.519 -9.927 1.00 54.54 H new ATOM 0 HG22 VAL A 119 -10.152 6.465 -8.160 1.00 54.54 H new ATOM 0 HG23 VAL A 119 -10.292 8.031 -8.992 1.00 54.54 H new ATOM 1989 N PHE A 120 -5.428 7.852 -7.121 1.00 2.03 N ATOM 1990 CA PHE A 120 -3.971 7.731 -7.078 1.00 51.53 C ATOM 1991 C PHE A 120 -3.498 6.365 -7.595 1.00 21.53 C ATOM 1992 O PHE A 120 -4.097 5.353 -7.244 1.00 55.54 O ATOM 1993 CB PHE A 120 -3.455 8.033 -5.652 1.00 62.43 C ATOM 1994 CG PHE A 120 -1.977 7.755 -5.411 1.00 13.04 C ATOM 1995 CD1 PHE A 120 -1.562 6.698 -4.574 1.00 51.13 C ATOM 1996 CD2 PHE A 120 -1.004 8.490 -6.116 1.00 1.44 C ATOM 1997 CE1 PHE A 120 -0.209 6.419 -4.425 1.00 44.00 C ATOM 1998 CE2 PHE A 120 0.340 8.184 -5.972 1.00 45.44 C ATOM 1999 CZ PHE A 120 0.738 7.164 -5.119 1.00 63.23 C ATOM 0 H PHE A 120 -5.846 7.947 -6.195 1.00 2.03 H new ATOM 0 HA PHE A 120 -3.542 8.472 -7.752 1.00 51.53 H new ATOM 0 HB2 PHE A 120 -3.649 9.082 -5.430 1.00 62.43 H new ATOM 0 HB3 PHE A 120 -4.037 7.444 -4.943 1.00 62.43 H new ATOM 0 HD1 PHE A 120 -2.296 6.105 -4.049 1.00 51.13 H new ATOM 0 HD2 PHE A 120 -1.306 9.294 -6.771 1.00 1.44 H new ATOM 0 HE1 PHE A 120 0.108 5.622 -3.769 1.00 44.00 H new ATOM 0 HE2 PHE A 120 1.081 8.742 -6.526 1.00 45.44 H new ATOM 0 HZ PHE A 120 1.789 6.948 -4.994 1.00 63.23 H new ATOM 2009 N LYS A 121 -2.424 6.374 -8.394 1.00 14.14 N ATOM 2010 CA LYS A 121 -1.762 5.185 -8.920 1.00 24.41 C ATOM 2011 C LYS A 121 -0.245 5.321 -8.752 1.00 1.12 C ATOM 2012 O LYS A 121 0.281 6.432 -8.799 1.00 5.40 O ATOM 2013 CB LYS A 121 -2.198 4.959 -10.387 1.00 61.44 C ATOM 2014 CG LYS A 121 -3.543 4.215 -10.495 1.00 13.52 C ATOM 2015 CD LYS A 121 -4.355 4.450 -11.782 1.00 1.43 C ATOM 2016 CE LYS A 121 -3.689 3.996 -13.089 1.00 11.33 C ATOM 2017 NZ LYS A 121 -2.837 5.044 -13.678 1.00 31.52 N1+ ATOM 0 H LYS A 121 -1.981 7.241 -8.699 1.00 14.14 H new ATOM 0 HA LYS A 121 -2.060 4.298 -8.360 1.00 24.41 H new ATOM 0 HB2 LYS A 121 -2.278 5.922 -10.891 1.00 61.44 H new ATOM 0 HB3 LYS A 121 -1.428 4.389 -10.908 1.00 61.44 H new ATOM 0 HG2 LYS A 121 -3.350 3.146 -10.403 1.00 13.52 H new ATOM 0 HG3 LYS A 121 -4.161 4.502 -9.644 1.00 13.52 H new ATOM 0 HD2 LYS A 121 -5.310 3.933 -11.685 1.00 1.43 H new ATOM 0 HD3 LYS A 121 -4.575 5.515 -11.860 1.00 1.43 H new ATOM 0 HE2 LYS A 121 -3.088 3.107 -12.898 1.00 11.33 H new ATOM 0 HE3 LYS A 121 -4.459 3.711 -13.806 1.00 11.33 H new ATOM 0 HZ1 LYS A 121 -2.630 4.807 -14.669 1.00 31.52 H new ATOM 0 HZ2 LYS A 121 -3.332 5.958 -13.637 1.00 31.52 H new ATOM 0 HZ3 LYS A 121 -1.947 5.108 -13.144 1.00 31.52 H new ATOM 2031 N ARG A 122 0.425 4.175 -8.555 1.00 54.11 N ATOM 2032 CA ARG A 122 1.876 4.074 -8.423 1.00 51.51 C ATOM 2033 C ARG A 122 2.344 2.777 -9.090 1.00 51.43 C ATOM 2034 O ARG A 122 1.666 1.759 -8.973 1.00 64.24 O ATOM 2035 CB ARG A 122 2.296 4.129 -6.929 1.00 71.25 C ATOM 2036 CG ARG A 122 3.447 5.120 -6.688 1.00 23.43 C ATOM 2037 CD ARG A 122 4.155 4.988 -5.330 1.00 72.20 C ATOM 2038 NE ARG A 122 5.094 3.857 -5.302 1.00 11.34 N ATOM 2039 CZ ARG A 122 5.978 3.598 -4.321 1.00 52.00 C ATOM 2040 NH1 ARG A 122 6.065 4.380 -3.236 1.00 71.04 N1+ ATOM 2041 NH2 ARG A 122 6.792 2.542 -4.425 1.00 41.43 N ATOM 0 H ARG A 122 -0.045 3.273 -8.482 1.00 54.11 H new ATOM 0 HA ARG A 122 2.352 4.920 -8.920 1.00 51.51 H new ATOM 0 HB2 ARG A 122 1.438 4.416 -6.322 1.00 71.25 H new ATOM 0 HB3 ARG A 122 2.600 3.135 -6.601 1.00 71.25 H new ATOM 0 HG2 ARG A 122 4.186 4.992 -7.478 1.00 23.43 H new ATOM 0 HG3 ARG A 122 3.057 6.134 -6.778 1.00 23.43 H new ATOM 0 HD2 ARG A 122 4.693 5.910 -5.111 1.00 72.20 H new ATOM 0 HD3 ARG A 122 3.410 4.859 -4.545 1.00 72.20 H new ATOM 0 HE ARG A 122 5.074 3.214 -6.094 1.00 11.34 H new ATOM 0 HH11 ARG A 122 5.453 5.191 -3.141 1.00 71.04 H new ATOM 0 HH12 ARG A 122 6.743 4.164 -2.505 1.00 71.04 H new ATOM 0 HH21 ARG A 122 6.741 1.938 -5.245 1.00 41.43 H new ATOM 0 HH22 ARG A 122 7.464 2.341 -3.684 1.00 41.43 H new ATOM 2055 N ILE A 123 3.499 2.839 -9.767 1.00 23.42 N ATOM 2056 CA ILE A 123 4.123 1.708 -10.450 1.00 74.43 C ATOM 2057 C ILE A 123 5.600 1.662 -10.023 1.00 3.34 C ATOM 2058 O ILE A 123 6.264 2.698 -10.018 1.00 11.31 O ATOM 2059 CB ILE A 123 4.070 1.836 -12.006 1.00 53.55 C ATOM 2060 CG1 ILE A 123 2.635 2.098 -12.535 1.00 33.41 C ATOM 2061 CG2 ILE A 123 4.633 0.571 -12.695 1.00 70.43 C ATOM 2062 CD1 ILE A 123 2.215 3.578 -12.555 1.00 23.05 C ATOM 0 H ILE A 123 4.036 3.702 -9.854 1.00 23.42 H new ATOM 0 HA ILE A 123 3.577 0.805 -10.176 1.00 74.43 H new ATOM 0 HB ILE A 123 4.691 2.697 -12.253 1.00 53.55 H new ATOM 0 HG12 ILE A 123 2.557 1.699 -13.546 1.00 33.41 H new ATOM 0 HG13 ILE A 123 1.928 1.543 -11.918 1.00 33.41 H new ATOM 0 HG21 ILE A 123 4.582 0.693 -13.777 1.00 70.43 H new ATOM 0 HG22 ILE A 123 5.671 0.425 -12.395 1.00 70.43 H new ATOM 0 HG23 ILE A 123 4.044 -0.297 -12.399 1.00 70.43 H new ATOM 0 HD11 ILE A 123 1.199 3.663 -12.939 1.00 23.05 H new ATOM 0 HD12 ILE A 123 2.255 3.981 -11.543 1.00 23.05 H new ATOM 0 HD13 ILE A 123 2.894 4.140 -13.197 1.00 23.05 H new ATOM 2074 N SER A 124 6.081 0.459 -9.681 1.00 71.20 N ATOM 2075 CA SER A 124 7.455 0.173 -9.268 1.00 14.32 C ATOM 2076 C SER A 124 7.972 -1.067 -10.023 1.00 44.33 C ATOM 2077 O SER A 124 7.163 -1.830 -10.549 1.00 2.24 O ATOM 2078 CB SER A 124 7.474 -0.040 -7.740 1.00 41.23 C ATOM 2079 OG SER A 124 7.137 1.157 -7.073 1.00 61.04 O ATOM 0 H SER A 124 5.495 -0.376 -9.686 1.00 71.20 H new ATOM 0 HA SER A 124 8.114 1.006 -9.511 1.00 14.32 H new ATOM 0 HB2 SER A 124 6.770 -0.826 -7.467 1.00 41.23 H new ATOM 0 HB3 SER A 124 8.463 -0.374 -7.425 1.00 41.23 H new ATOM 0 HG SER A 124 6.167 1.196 -6.942 1.00 61.04 H new ATOM 2085 N LYS A 125 9.304 -1.245 -10.074 1.00 51.44 N ATOM 2086 CA LYS A 125 9.968 -2.351 -10.774 1.00 72.03 C ATOM 2087 C LYS A 125 11.182 -2.850 -9.975 1.00 64.24 C ATOM 2088 O LYS A 125 11.887 -2.041 -9.373 1.00 21.30 O ATOM 2089 CB LYS A 125 10.327 -1.916 -12.215 1.00 73.22 C ATOM 2090 CG LYS A 125 10.992 -2.996 -13.094 1.00 42.33 C ATOM 2091 CD LYS A 125 12.530 -2.921 -13.152 1.00 22.14 C ATOM 2092 CE LYS A 125 13.078 -1.869 -14.128 1.00 53.41 C ATOM 2093 NZ LYS A 125 12.792 -2.227 -15.529 1.00 45.34 N1+ ATOM 0 H LYS A 125 9.959 -0.609 -9.619 1.00 51.44 H new ATOM 0 HA LYS A 125 9.288 -3.199 -10.852 1.00 72.03 H new ATOM 0 HB2 LYS A 125 9.416 -1.580 -12.711 1.00 73.22 H new ATOM 0 HB3 LYS A 125 10.995 -1.057 -12.160 1.00 73.22 H new ATOM 0 HG2 LYS A 125 10.703 -3.978 -12.720 1.00 42.33 H new ATOM 0 HG3 LYS A 125 10.599 -2.913 -14.107 1.00 42.33 H new ATOM 0 HD2 LYS A 125 12.909 -2.704 -12.153 1.00 22.14 H new ATOM 0 HD3 LYS A 125 12.919 -3.899 -13.435 1.00 22.14 H new ATOM 0 HE2 LYS A 125 12.637 -0.898 -13.903 1.00 53.41 H new ATOM 0 HE3 LYS A 125 14.155 -1.770 -13.990 1.00 53.41 H new ATOM 0 HZ1 LYS A 125 13.356 -1.625 -16.163 1.00 45.34 H new ATOM 0 HZ2 LYS A 125 13.038 -3.225 -15.689 1.00 45.34 H new ATOM 0 HZ3 LYS A 125 11.781 -2.084 -15.724 1.00 45.34 H new ATOM 2107 N ARG A 126 11.398 -4.177 -9.997 1.00 3.51 N ATOM 2108 CA ARG A 126 12.375 -4.908 -9.188 1.00 31.02 C ATOM 2109 C ARG A 126 13.833 -4.521 -9.482 1.00 63.35 C ATOM 2110 O ARG A 126 14.201 -4.362 -10.646 1.00 31.35 O ATOM 2111 CB ARG A 126 12.110 -6.424 -9.327 1.00 1.25 C ATOM 2112 CG ARG A 126 12.945 -7.324 -8.395 1.00 25.20 C ATOM 2113 CD ARG A 126 12.254 -8.639 -7.992 1.00 61.54 C ATOM 2114 NE ARG A 126 11.770 -9.427 -9.137 1.00 13.10 N ATOM 2115 CZ ARG A 126 12.512 -10.014 -10.090 1.00 1.14 C ATOM 2116 NH1 ARG A 126 13.852 -9.942 -10.088 1.00 52.44 N1+ ATOM 2117 NH2 ARG A 126 11.895 -10.692 -11.064 1.00 75.52 N ATOM 0 H ARG A 126 10.867 -4.794 -10.611 1.00 3.51 H new ATOM 0 HA ARG A 126 12.238 -4.621 -8.146 1.00 31.02 H new ATOM 0 HB2 ARG A 126 11.053 -6.611 -9.136 1.00 1.25 H new ATOM 0 HB3 ARG A 126 12.304 -6.717 -10.359 1.00 1.25 H new ATOM 0 HG2 ARG A 126 13.888 -7.560 -8.888 1.00 25.20 H new ATOM 0 HG3 ARG A 126 13.188 -6.764 -7.492 1.00 25.20 H new ATOM 0 HD2 ARG A 126 12.953 -9.244 -7.415 1.00 61.54 H new ATOM 0 HD3 ARG A 126 11.413 -8.412 -7.337 1.00 61.54 H new ATOM 0 HE ARG A 126 10.759 -9.540 -9.215 1.00 13.10 H new ATOM 0 HH11 ARG A 126 14.334 -9.431 -9.349 1.00 52.44 H new ATOM 0 HH12 ARG A 126 14.388 -10.398 -10.826 1.00 52.44 H new ATOM 0 HH21 ARG A 126 10.877 -10.757 -11.075 1.00 75.52 H new ATOM 0 HH22 ARG A 126 12.442 -11.144 -11.796 1.00 75.52 H new ATOM 2131 N ILE A 127 14.636 -4.394 -8.409 1.00 3.34 N ATOM 2132 CA ILE A 127 16.055 -4.015 -8.446 1.00 44.01 C ATOM 2133 C ILE A 127 16.804 -5.336 -8.447 1.00 43.14 C ATOM 2134 O ILE A 127 17.964 -5.443 -8.841 1.00 12.22 O ATOM 2135 CB ILE A 127 16.479 -3.090 -7.254 1.00 74.44 C ATOM 2136 CG1 ILE A 127 15.421 -2.010 -6.918 1.00 63.15 C ATOM 2137 CG2 ILE A 127 17.852 -2.432 -7.537 1.00 51.55 C ATOM 2138 CD1 ILE A 127 15.837 -0.988 -5.852 1.00 14.32 C ATOM 0 H ILE A 127 14.299 -4.559 -7.460 1.00 3.34 H new ATOM 0 HA ILE A 127 16.281 -3.413 -9.326 1.00 44.01 H new ATOM 0 HB ILE A 127 16.560 -3.732 -6.377 1.00 74.44 H new ATOM 0 HG12 ILE A 127 15.172 -1.473 -7.833 1.00 63.15 H new ATOM 0 HG13 ILE A 127 14.512 -2.509 -6.583 1.00 63.15 H new ATOM 0 HG21 ILE A 127 18.129 -1.794 -6.698 1.00 51.55 H new ATOM 0 HG22 ILE A 127 18.607 -3.207 -7.668 1.00 51.55 H new ATOM 0 HG23 ILE A 127 17.788 -1.831 -8.444 1.00 51.55 H new ATOM 0 HD11 ILE A 127 15.026 -0.278 -5.692 1.00 14.32 H new ATOM 0 HD12 ILE A 127 16.056 -1.505 -4.918 1.00 14.32 H new ATOM 0 HD13 ILE A 127 16.726 -0.454 -6.187 1.00 14.32 H new TER 2150 ILE A 127