USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 832 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 Single : A 1 GLY N :NH3+ 152:sc= 0.659 (180deg=0.28) USER MOD Single : A 5 LYS NZ :NH3+ -156:sc= -0.209 (180deg=-0.693) USER MOD Single : A 7 LYS NZ :NH3+ -135:sc= -1.28 (180deg=-2.64!) USER MOD Single : A 8 LYS NZ :NH3+ -154:sc= -0.184 (180deg=-0.75) USER MOD Single : A 12 MET CE :methyl 152:sc= -1.11 (180deg=-2.95!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 129:sc= 0.415 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= -5! C(o=-5!,f=-10!) USER MOD Single : A 19 THR OG1 : rot 40:sc= 0.386 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -3.27! C(o=-3.3!,f=-3.9!) USER MOD Single : A 27 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.113) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN :FLIP amide:sc= -0.0268 F(o=-1.5,f=-0.027) USER MOD Single : A 33 HIS : no HD1:sc= -1.02 X(o=-1,f=-0.76) USER MOD Single : A 39 LYS NZ :NH3+ -156:sc= -0.605 (180deg=-1.38!) USER MOD Single : A 40 THR OG1 : rot 10:sc= 0.752 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.228 F(o=-2.1,f=-0.23) USER MOD Single : A 46 TYR OH : rot 30:sc= -0.817 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.56 USER MOD Single : A 52 ASN : amide:sc= -6.85! C(o=-6.8!,f=-12!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -2.41! C(o=-2.4!,f=-3.2!) USER MOD Single : A 55 LYS NZ :NH3+ 146:sc= 1 (180deg=-0.785) USER MOD Single : A 63 THR OG1 : rot -139:sc= -1.84! USER MOD Single : A 65 MET CE :methyl -143:sc= -0.0976 (180deg=-2.89!) USER MOD Single : A 67 TYR OH : rot 180:sc= -1.61! USER MOD Single : A 70 ASN : amide:sc= -1.79 K(o=-1.8,f=-3.2!) USER MOD Single : A 72 LYS NZ :NH3+ 152:sc= -0.437 (180deg=-1.8!) USER MOD Single : A 73 LYS NZ :NH3+ -132:sc= -1.81! (180deg=-4.89!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 170:sc= 0.0884 USER MOD Single : A 79 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.343) USER MOD Single : A 80 MET CE :methyl -142:sc= -7.11! (180deg=-7.93!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 174:sc= -1.9 (180deg=-2.13) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -113:sc= -0.732 (180deg=-2.99!) USER MOD Single : A 100 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0219) USER MOD Single : A 102 THR OG1 : rot 10:sc= 0.512! USER MOD Single : A 103 ASN : amide:sc= -0.31 K(o=-0.31,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.302 1.022 -0.058 1.00 73.12 N ATOM 2 CA GLY A 1 1.365 0.778 -1.020 1.00 23.12 C ATOM 3 C GLY A 1 1.454 -0.708 -1.372 1.00 15.10 C ATOM 4 O GLY A 1 2.528 -1.303 -1.303 1.00 23.01 O ATOM 0 H1 GLY A 1 0.534 1.861 0.511 1.00 73.12 H new ATOM 0 H2 GLY A 1 -0.593 1.183 -0.563 1.00 73.12 H new ATOM 0 H3 GLY A 1 0.203 0.197 0.567 1.00 73.12 H new ATOM 0 HA2 GLY A 1 1.183 1.359 -1.924 1.00 23.12 H new ATOM 0 HA3 GLY A 1 2.317 1.116 -0.610 1.00 23.12 H new ATOM 8 N ASP A 2 0.310 -1.265 -1.745 1.00 31.34 N ATOM 9 CA ASP A 2 0.247 -2.670 -2.108 1.00 62.51 C ATOM 10 C ASP A 2 0.754 -2.846 -3.541 1.00 14.32 C ATOM 11 O ASP A 2 0.182 -2.291 -4.477 1.00 25.10 O ATOM 12 CB ASP A 2 -1.192 -3.189 -2.049 1.00 74.02 C ATOM 13 CG ASP A 2 -1.795 -3.267 -0.644 1.00 73.22 C ATOM 14 OD1 ASP A 2 -2.145 -4.353 -0.159 1.00 54.32 O ATOM 15 OD2 ASP A 2 -1.900 -2.137 -0.033 1.00 63.02 O1- ATOM 0 H ASP A 2 -0.579 -0.769 -1.803 1.00 31.34 H new ATOM 0 HA ASP A 2 0.862 -3.229 -1.403 1.00 62.51 H new ATOM 0 HB2 ASP A 2 -1.821 -2.543 -2.662 1.00 74.02 H new ATOM 0 HB3 ASP A 2 -1.223 -4.182 -2.497 1.00 74.02 H new ATOM 21 N VAL A 3 1.822 -3.620 -3.665 1.00 32.11 N ATOM 22 CA VAL A 3 2.413 -3.877 -4.966 1.00 21.23 C ATOM 23 C VAL A 3 1.596 -4.947 -5.692 1.00 32.03 C ATOM 24 O VAL A 3 1.317 -4.820 -6.883 1.00 72.34 O ATOM 25 CB VAL A 3 3.887 -4.255 -4.808 1.00 43.02 C ATOM 26 CG1 VAL A 3 4.433 -4.885 -6.090 1.00 11.15 C ATOM 27 CG2 VAL A 3 4.722 -3.042 -4.392 1.00 25.11 C ATOM 0 H VAL A 3 2.293 -4.078 -2.885 1.00 32.11 H new ATOM 0 HA VAL A 3 2.387 -2.977 -5.580 1.00 21.23 H new ATOM 0 HB VAL A 3 3.959 -4.999 -4.014 1.00 43.02 H new ATOM 0 HG11 VAL A 3 5.482 -5.144 -5.950 1.00 11.15 H new ATOM 0 HG12 VAL A 3 3.865 -5.786 -6.323 1.00 11.15 H new ATOM 0 HG13 VAL A 3 4.341 -4.175 -6.912 1.00 11.15 H new ATOM 0 HG21 VAL A 3 5.766 -3.338 -4.286 1.00 25.11 H new ATOM 0 HG22 VAL A 3 4.640 -2.266 -5.153 1.00 25.11 H new ATOM 0 HG23 VAL A 3 4.356 -2.657 -3.440 1.00 25.11 H new ATOM 37 N GLU A 4 1.235 -5.979 -4.943 1.00 73.22 N ATOM 38 CA GLU A 4 0.456 -7.072 -5.499 1.00 63.21 C ATOM 39 C GLU A 4 -0.825 -6.537 -6.142 1.00 2.11 C ATOM 40 O GLU A 4 -1.139 -6.874 -7.283 1.00 24.52 O ATOM 41 CB GLU A 4 0.137 -8.117 -4.429 1.00 11.11 C ATOM 42 CG GLU A 4 1.289 -9.110 -4.271 1.00 4.20 C ATOM 43 CD GLU A 4 2.617 -8.380 -4.058 1.00 44.00 C ATOM 44 OE1 GLU A 4 2.784 -7.679 -3.049 1.00 12.45 O ATOM 45 OE2 GLU A 4 3.493 -8.560 -4.987 1.00 23.24 O1- ATOM 0 H GLU A 4 1.468 -6.081 -3.955 1.00 73.22 H new ATOM 0 HA GLU A 4 1.050 -7.560 -6.271 1.00 63.21 H new ATOM 0 HB2 GLU A 4 -0.053 -7.621 -3.477 1.00 11.11 H new ATOM 0 HB3 GLU A 4 -0.774 -8.652 -4.698 1.00 11.11 H new ATOM 0 HG2 GLU A 4 1.092 -9.769 -3.425 1.00 4.20 H new ATOM 0 HG3 GLU A 4 1.355 -9.740 -5.158 1.00 4.20 H new ATOM 53 N LYS A 5 -1.530 -5.711 -5.383 1.00 75.34 N ATOM 54 CA LYS A 5 -2.770 -5.125 -5.865 1.00 44.05 C ATOM 55 C LYS A 5 -2.458 -4.135 -6.989 1.00 71.23 C ATOM 56 O LYS A 5 -3.003 -4.245 -8.086 1.00 12.12 O ATOM 57 CB LYS A 5 -3.558 -4.512 -4.706 1.00 52.33 C ATOM 58 CG LYS A 5 -4.441 -5.560 -4.027 1.00 25.44 C ATOM 59 CD LYS A 5 -3.637 -6.385 -3.020 1.00 53.34 C ATOM 60 CE LYS A 5 -4.515 -7.449 -2.358 1.00 54.44 C ATOM 61 NZ LYS A 5 -5.832 -6.882 -1.994 1.00 55.34 N1+ ATOM 0 H LYS A 5 -1.266 -5.433 -4.438 1.00 75.34 H new ATOM 0 HA LYS A 5 -3.416 -5.894 -6.288 1.00 44.05 H new ATOM 0 HB2 LYS A 5 -2.868 -4.086 -3.978 1.00 52.33 H new ATOM 0 HB3 LYS A 5 -4.177 -3.694 -5.075 1.00 52.33 H new ATOM 0 HG2 LYS A 5 -5.271 -5.068 -3.519 1.00 25.44 H new ATOM 0 HG3 LYS A 5 -4.874 -6.219 -4.780 1.00 25.44 H new ATOM 0 HD2 LYS A 5 -2.797 -6.863 -3.524 1.00 53.34 H new ATOM 0 HD3 LYS A 5 -3.219 -5.728 -2.258 1.00 53.34 H new ATOM 0 HE2 LYS A 5 -4.650 -8.291 -3.037 1.00 54.44 H new ATOM 0 HE3 LYS A 5 -4.020 -7.834 -1.467 1.00 54.44 H new ATOM 0 HZ1 LYS A 5 -6.248 -7.439 -1.220 1.00 55.34 H new ATOM 0 HZ2 LYS A 5 -5.712 -5.896 -1.686 1.00 55.34 H new ATOM 0 HZ3 LYS A 5 -6.463 -6.912 -2.820 1.00 55.34 H new ATOM 74 N GLY A 6 -1.582 -3.192 -6.678 1.00 50.24 N ATOM 75 CA GLY A 6 -1.191 -2.184 -7.648 1.00 73.13 C ATOM 76 C GLY A 6 -0.655 -2.832 -8.926 1.00 54.42 C ATOM 77 O GLY A 6 -0.574 -2.184 -9.968 1.00 0.33 O ATOM 0 H GLY A 6 -1.131 -3.105 -5.767 1.00 50.24 H new ATOM 0 HA2 GLY A 6 -2.047 -1.553 -7.887 1.00 73.13 H new ATOM 0 HA3 GLY A 6 -0.428 -1.536 -7.217 1.00 73.13 H new ATOM 81 N LYS A 7 -0.302 -4.103 -8.804 1.00 72.11 N ATOM 82 CA LYS A 7 0.223 -4.846 -9.937 1.00 33.13 C ATOM 83 C LYS A 7 -0.938 -5.339 -10.801 1.00 72.23 C ATOM 84 O LYS A 7 -0.997 -5.046 -11.996 1.00 11.22 O ATOM 85 CB LYS A 7 1.153 -5.963 -9.460 1.00 21.32 C ATOM 86 CG LYS A 7 1.405 -6.981 -10.575 1.00 61.52 C ATOM 87 CD LYS A 7 2.738 -7.702 -10.368 1.00 32.11 C ATOM 88 CE LYS A 7 2.725 -9.080 -11.032 1.00 14.32 C ATOM 89 NZ LYS A 7 1.520 -9.839 -10.627 1.00 44.20 N1+ ATOM 0 H LYS A 7 -0.369 -4.637 -7.938 1.00 72.11 H new ATOM 0 HA LYS A 7 0.835 -4.200 -10.566 1.00 33.13 H new ATOM 0 HB2 LYS A 7 2.101 -5.536 -9.131 1.00 21.32 H new ATOM 0 HB3 LYS A 7 0.713 -6.464 -8.598 1.00 21.32 H new ATOM 0 HG2 LYS A 7 0.594 -7.709 -10.598 1.00 61.52 H new ATOM 0 HG3 LYS A 7 1.407 -6.475 -11.541 1.00 61.52 H new ATOM 0 HD2 LYS A 7 3.548 -7.102 -10.783 1.00 32.11 H new ATOM 0 HD3 LYS A 7 2.935 -7.810 -9.301 1.00 32.11 H new ATOM 0 HE2 LYS A 7 2.744 -8.968 -12.116 1.00 14.32 H new ATOM 0 HE3 LYS A 7 3.622 -9.633 -10.753 1.00 14.32 H new ATOM 0 HZ1 LYS A 7 1.789 -10.814 -10.385 1.00 44.20 H new ATOM 0 HZ2 LYS A 7 1.085 -9.384 -9.799 1.00 44.20 H new ATOM 0 HZ3 LYS A 7 0.838 -9.853 -11.412 1.00 44.20 H new ATOM 102 N LYS A 8 -1.835 -6.080 -10.166 1.00 14.31 N ATOM 103 CA LYS A 8 -2.991 -6.616 -10.862 1.00 71.23 C ATOM 104 C LYS A 8 -3.678 -5.494 -11.643 1.00 33.24 C ATOM 105 O LYS A 8 -4.275 -5.736 -12.691 1.00 33.30 O ATOM 106 CB LYS A 8 -3.918 -7.340 -9.884 1.00 4.10 C ATOM 107 CG LYS A 8 -4.793 -8.362 -10.611 1.00 33.13 C ATOM 108 CD LYS A 8 -5.220 -9.490 -9.669 1.00 22.11 C ATOM 109 CE LYS A 8 -4.090 -10.504 -9.483 1.00 14.34 C ATOM 110 NZ LYS A 8 -3.776 -11.171 -10.767 1.00 11.43 N1+ ATOM 0 H LYS A 8 -1.784 -6.321 -9.176 1.00 14.31 H new ATOM 0 HA LYS A 8 -2.682 -7.368 -11.588 1.00 71.23 H new ATOM 0 HB2 LYS A 8 -3.325 -7.842 -9.120 1.00 4.10 H new ATOM 0 HB3 LYS A 8 -4.550 -6.614 -9.372 1.00 4.10 H new ATOM 0 HG2 LYS A 8 -5.676 -7.867 -11.015 1.00 33.13 H new ATOM 0 HG3 LYS A 8 -4.246 -8.778 -11.457 1.00 33.13 H new ATOM 0 HD2 LYS A 8 -5.503 -9.074 -8.702 1.00 22.11 H new ATOM 0 HD3 LYS A 8 -6.101 -9.991 -10.071 1.00 22.11 H new ATOM 0 HE2 LYS A 8 -3.202 -10.001 -9.101 1.00 14.34 H new ATOM 0 HE3 LYS A 8 -4.379 -11.248 -8.741 1.00 14.34 H new ATOM 0 HZ1 LYS A 8 -3.366 -12.108 -10.580 1.00 11.43 H new ATOM 0 HZ2 LYS A 8 -4.647 -11.279 -11.324 1.00 11.43 H new ATOM 0 HZ3 LYS A 8 -3.093 -10.595 -11.300 1.00 11.43 H new ATOM 123 N ILE A 9 -3.569 -4.289 -11.102 1.00 15.44 N ATOM 124 CA ILE A 9 -4.173 -3.128 -11.735 1.00 60.11 C ATOM 125 C ILE A 9 -3.399 -2.789 -13.010 1.00 15.22 C ATOM 126 O ILE A 9 -3.877 -3.041 -14.115 1.00 74.43 O ATOM 127 CB ILE A 9 -4.265 -1.966 -10.744 1.00 1.54 C ATOM 128 CG1 ILE A 9 -4.932 -2.409 -9.440 1.00 64.24 C ATOM 129 CG2 ILE A 9 -4.976 -0.766 -11.372 1.00 30.43 C ATOM 130 CD1 ILE A 9 -4.432 -1.575 -8.258 1.00 25.42 C ATOM 0 H ILE A 9 -3.072 -4.092 -10.233 1.00 15.44 H new ATOM 0 HA ILE A 9 -5.199 -3.345 -12.032 1.00 60.11 H new ATOM 0 HB ILE A 9 -3.253 -1.647 -10.496 1.00 1.54 H new ATOM 0 HG12 ILE A 9 -6.014 -2.309 -9.528 1.00 64.24 H new ATOM 0 HG13 ILE A 9 -4.723 -3.464 -9.260 1.00 64.24 H new ATOM 0 HG21 ILE A 9 -5.028 0.046 -10.647 1.00 30.43 H new ATOM 0 HG22 ILE A 9 -4.422 -0.434 -12.250 1.00 30.43 H new ATOM 0 HG23 ILE A 9 -5.985 -1.054 -11.667 1.00 30.43 H new ATOM 0 HD11 ILE A 9 -4.921 -1.910 -7.343 1.00 25.42 H new ATOM 0 HD12 ILE A 9 -3.353 -1.696 -8.158 1.00 25.42 H new ATOM 0 HD13 ILE A 9 -4.665 -0.524 -8.430 1.00 25.42 H new ATOM 142 N PHE A 10 -2.218 -2.222 -12.815 1.00 13.32 N ATOM 143 CA PHE A 10 -1.374 -1.846 -13.936 1.00 72.43 C ATOM 144 C PHE A 10 -1.277 -2.982 -14.956 1.00 75.11 C ATOM 145 O PHE A 10 -1.012 -2.744 -16.133 1.00 2.34 O ATOM 146 CB PHE A 10 0.020 -1.562 -13.372 1.00 70.22 C ATOM 147 CG PHE A 10 0.775 -0.453 -14.107 1.00 44.23 C ATOM 148 CD1 PHE A 10 1.461 -0.737 -15.246 1.00 11.20 C ATOM 149 CD2 PHE A 10 0.760 0.817 -13.620 1.00 42.21 C ATOM 150 CE1 PHE A 10 2.163 0.293 -15.928 1.00 43.23 C ATOM 151 CE2 PHE A 10 1.462 1.847 -14.302 1.00 53.34 C ATOM 152 CZ PHE A 10 2.147 1.563 -15.441 1.00 42.41 C ATOM 0 H PHE A 10 -1.825 -2.014 -11.897 1.00 13.32 H new ATOM 0 HA PHE A 10 -1.794 -0.976 -14.441 1.00 72.43 H new ATOM 0 HB2 PHE A 10 -0.073 -1.289 -12.321 1.00 70.22 H new ATOM 0 HB3 PHE A 10 0.610 -2.477 -13.412 1.00 70.22 H new ATOM 0 HD1 PHE A 10 1.472 -1.745 -15.632 1.00 11.20 H new ATOM 0 HD2 PHE A 10 0.215 1.042 -12.715 1.00 42.21 H new ATOM 0 HE1 PHE A 10 2.709 0.068 -16.832 1.00 43.23 H new ATOM 0 HE2 PHE A 10 1.451 2.855 -13.915 1.00 53.34 H new ATOM 0 HZ PHE A 10 2.679 2.346 -15.960 1.00 42.41 H new ATOM 162 N ILE A 11 -1.496 -4.194 -14.466 1.00 62.12 N ATOM 163 CA ILE A 11 -1.437 -5.368 -15.319 1.00 45.21 C ATOM 164 C ILE A 11 -2.568 -5.304 -16.347 1.00 24.11 C ATOM 165 O ILE A 11 -2.365 -5.612 -17.520 1.00 4.32 O ATOM 166 CB ILE A 11 -1.444 -6.644 -14.476 1.00 64.23 C ATOM 167 CG1 ILE A 11 -0.050 -6.938 -13.915 1.00 24.22 C ATOM 168 CG2 ILE A 11 -2.001 -7.825 -15.273 1.00 33.21 C ATOM 169 CD1 ILE A 11 -0.093 -8.100 -12.920 1.00 43.25 C ATOM 0 H ILE A 11 -1.715 -4.388 -13.489 1.00 62.12 H new ATOM 0 HA ILE A 11 -0.500 -5.387 -15.876 1.00 45.21 H new ATOM 0 HB ILE A 11 -2.108 -6.488 -13.626 1.00 64.23 H new ATOM 0 HG12 ILE A 11 0.631 -7.179 -14.731 1.00 24.22 H new ATOM 0 HG13 ILE A 11 0.343 -6.048 -13.424 1.00 24.22 H new ATOM 0 HG21 ILE A 11 -1.995 -8.720 -14.650 1.00 33.21 H new ATOM 0 HG22 ILE A 11 -3.023 -7.605 -15.583 1.00 33.21 H new ATOM 0 HG23 ILE A 11 -1.383 -7.993 -16.155 1.00 33.21 H new ATOM 0 HD11 ILE A 11 0.910 -8.288 -12.537 1.00 43.25 H new ATOM 0 HD12 ILE A 11 -0.756 -7.846 -12.093 1.00 43.25 H new ATOM 0 HD13 ILE A 11 -0.464 -8.994 -13.421 1.00 43.25 H new ATOM 181 N MET A 12 -3.737 -4.902 -15.869 1.00 20.04 N ATOM 182 CA MET A 12 -4.902 -4.795 -16.731 1.00 73.11 C ATOM 183 C MET A 12 -5.586 -3.437 -16.560 1.00 2.53 C ATOM 184 O MET A 12 -6.812 -3.359 -16.499 1.00 61.15 O ATOM 185 CB MET A 12 -5.893 -5.911 -16.393 1.00 10.44 C ATOM 186 CG MET A 12 -5.485 -7.225 -17.063 1.00 20.33 C ATOM 187 SD MET A 12 -6.280 -8.598 -16.246 1.00 23.32 S ATOM 188 CE MET A 12 -5.298 -8.686 -14.758 1.00 74.43 C ATOM 0 H MET A 12 -3.902 -4.646 -14.895 1.00 20.04 H new ATOM 0 HA MET A 12 -4.574 -4.890 -17.766 1.00 73.11 H new ATOM 0 HB2 MET A 12 -5.938 -6.048 -15.313 1.00 10.44 H new ATOM 0 HB3 MET A 12 -6.893 -5.626 -16.720 1.00 10.44 H new ATOM 0 HG2 MET A 12 -5.763 -7.207 -18.117 1.00 20.33 H new ATOM 0 HG3 MET A 12 -4.402 -7.343 -17.021 1.00 20.33 H new ATOM 0 HE1 MET A 12 -5.900 -9.100 -13.949 1.00 74.43 H new ATOM 0 HE2 MET A 12 -4.433 -9.326 -14.930 1.00 74.43 H new ATOM 0 HE3 MET A 12 -4.961 -7.686 -14.485 1.00 74.43 H new ATOM 198 N LYS A 13 -4.763 -2.401 -16.489 1.00 3.23 N ATOM 199 CA LYS A 13 -5.274 -1.049 -16.326 1.00 42.12 C ATOM 200 C LYS A 13 -4.535 -0.112 -17.284 1.00 34.24 C ATOM 201 O LYS A 13 -5.161 0.663 -18.005 1.00 23.10 O ATOM 202 CB LYS A 13 -5.194 -0.619 -14.861 1.00 13.54 C ATOM 203 CG LYS A 13 -5.876 0.734 -14.649 1.00 61.54 C ATOM 204 CD LYS A 13 -7.399 0.596 -14.703 1.00 54.44 C ATOM 205 CE LYS A 13 -7.882 -0.504 -13.755 1.00 54.34 C ATOM 206 NZ LYS A 13 -9.321 -0.333 -13.453 1.00 20.13 N1+ ATOM 0 H LYS A 13 -3.747 -2.470 -16.541 1.00 3.23 H new ATOM 0 HA LYS A 13 -6.331 -1.006 -16.588 1.00 42.12 H new ATOM 0 HB2 LYS A 13 -5.668 -1.372 -14.231 1.00 13.54 H new ATOM 0 HB3 LYS A 13 -4.150 -0.556 -14.553 1.00 13.54 H new ATOM 0 HG2 LYS A 13 -5.579 1.148 -13.685 1.00 61.54 H new ATOM 0 HG3 LYS A 13 -5.544 1.436 -15.414 1.00 61.54 H new ATOM 0 HD2 LYS A 13 -7.864 1.544 -14.433 1.00 54.44 H new ATOM 0 HD3 LYS A 13 -7.711 0.367 -15.722 1.00 54.44 H new ATOM 0 HE2 LYS A 13 -7.713 -1.482 -14.207 1.00 54.34 H new ATOM 0 HE3 LYS A 13 -7.305 -0.475 -12.831 1.00 54.34 H new ATOM 0 HZ1 LYS A 13 -9.633 -1.088 -12.809 1.00 20.13 H new ATOM 0 HZ2 LYS A 13 -9.474 0.592 -13.003 1.00 20.13 H new ATOM 0 HZ3 LYS A 13 -9.869 -0.383 -14.335 1.00 20.13 H new ATOM 219 N CYS A 14 -3.214 -0.213 -17.259 1.00 0.42 N ATOM 220 CA CYS A 14 -2.383 0.617 -18.116 1.00 73.31 C ATOM 221 C CYS A 14 -1.629 -0.297 -19.083 1.00 61.22 C ATOM 222 O CYS A 14 -1.559 -0.018 -20.279 1.00 3.21 O ATOM 223 CB CYS A 14 -1.432 1.496 -17.301 1.00 23.12 C ATOM 224 SG CYS A 14 -2.065 1.994 -15.658 1.00 24.50 S ATOM 0 H CYS A 14 -2.698 -0.857 -16.659 1.00 0.42 H new ATOM 0 HA CYS A 14 -3.011 1.304 -18.683 1.00 73.31 H new ATOM 0 HB2 CYS A 14 -0.492 0.961 -17.166 1.00 23.12 H new ATOM 0 HB3 CYS A 14 -1.208 2.394 -17.876 1.00 23.12 H new ATOM 0 HG CYS A 14 -1.175 1.723 -14.750 1.00 24.50 H new ATOM 229 N SER A 15 -1.083 -1.369 -18.529 1.00 53.01 N ATOM 230 CA SER A 15 -0.336 -2.326 -19.329 1.00 44.23 C ATOM 231 C SER A 15 -1.024 -2.530 -20.680 1.00 0.15 C ATOM 232 O SER A 15 -0.366 -2.816 -21.680 1.00 13.43 O ATOM 233 CB SER A 15 -0.194 -3.663 -18.598 1.00 10.33 C ATOM 234 OG SER A 15 0.078 -4.736 -19.496 1.00 53.25 O ATOM 0 H SER A 15 -1.142 -1.597 -17.537 1.00 53.01 H new ATOM 0 HA SER A 15 0.664 -1.925 -19.495 1.00 44.23 H new ATOM 0 HB2 SER A 15 0.609 -3.592 -17.864 1.00 10.33 H new ATOM 0 HB3 SER A 15 -1.111 -3.874 -18.047 1.00 10.33 H new ATOM 0 HG SER A 15 0.163 -5.572 -18.991 1.00 53.25 H new ATOM 240 N GLN A 16 -2.339 -2.374 -20.667 1.00 52.31 N ATOM 241 CA GLN A 16 -3.124 -2.537 -21.880 1.00 24.53 C ATOM 242 C GLN A 16 -2.407 -1.892 -23.066 1.00 24.04 C ATOM 243 O GLN A 16 -2.228 -2.525 -24.106 1.00 52.22 O ATOM 244 CB GLN A 16 -4.529 -1.956 -21.705 1.00 34.30 C ATOM 245 CG GLN A 16 -5.333 -2.762 -20.683 1.00 64.14 C ATOM 246 CD GLN A 16 -6.054 -3.933 -21.352 1.00 25.22 C ATOM 247 OE1 GLN A 16 -5.622 -5.073 -21.302 1.00 33.12 O ATOM 248 NE2 GLN A 16 -7.175 -3.590 -21.980 1.00 5.30 N ATOM 0 H GLN A 16 -2.881 -2.137 -19.836 1.00 52.31 H new ATOM 0 HA GLN A 16 -3.230 -3.603 -22.082 1.00 24.53 H new ATOM 0 HB2 GLN A 16 -4.459 -0.918 -21.381 1.00 34.30 H new ATOM 0 HB3 GLN A 16 -5.048 -1.956 -22.663 1.00 34.30 H new ATOM 0 HG2 GLN A 16 -4.667 -3.137 -19.905 1.00 64.14 H new ATOM 0 HG3 GLN A 16 -6.061 -2.114 -20.195 1.00 64.14 H new ATOM 0 HE21 GLN A 16 -7.480 -2.617 -21.983 1.00 5.30 H new ATOM 0 HE22 GLN A 16 -7.729 -4.300 -22.458 1.00 5.30 H new ATOM 257 N CYS A 17 -2.017 -0.641 -22.873 1.00 3.32 N ATOM 258 CA CYS A 17 -1.324 0.097 -23.915 1.00 24.21 C ATOM 259 C CYS A 17 0.114 0.344 -23.454 1.00 61.52 C ATOM 260 O CYS A 17 1.062 0.051 -24.181 1.00 14.11 O ATOM 261 CB CYS A 17 -2.044 1.402 -24.260 1.00 30.04 C ATOM 262 SG CYS A 17 -3.849 1.385 -23.957 1.00 4.14 S ATOM 0 H CYS A 17 -2.168 -0.119 -22.010 1.00 3.32 H new ATOM 0 HA CYS A 17 -1.315 -0.490 -24.834 1.00 24.21 H new ATOM 0 HB2 CYS A 17 -1.600 2.210 -23.679 1.00 30.04 H new ATOM 0 HB3 CYS A 17 -1.868 1.631 -25.311 1.00 30.04 H new ATOM 0 HG CYS A 17 -4.354 2.538 -24.281 1.00 4.14 H new ATOM 267 N HIS A 18 0.231 0.879 -22.248 1.00 62.50 N ATOM 268 CA HIS A 18 1.538 1.168 -21.681 1.00 4.04 C ATOM 269 C HIS A 18 2.334 -0.130 -21.540 1.00 22.22 C ATOM 270 O HIS A 18 1.791 -1.220 -21.719 1.00 62.34 O ATOM 271 CB HIS A 18 1.401 1.926 -20.359 1.00 40.31 C ATOM 272 CG HIS A 18 0.954 3.360 -20.517 1.00 54.33 C ATOM 273 ND1 HIS A 18 1.769 4.345 -21.048 1.00 50.21 N ATOM 274 CD2 HIS A 18 -0.230 3.964 -20.210 1.00 25.02 C ATOM 275 CE1 HIS A 18 1.096 5.486 -21.054 1.00 64.43 C ATOM 276 NE2 HIS A 18 -0.142 5.248 -20.533 1.00 53.31 N ATOM 0 H HIS A 18 -0.557 1.120 -21.647 1.00 62.50 H new ATOM 0 HA HIS A 18 2.093 1.823 -22.353 1.00 4.04 H new ATOM 0 HB2 HIS A 18 0.687 1.402 -19.724 1.00 40.31 H new ATOM 0 HB3 HIS A 18 2.360 1.910 -19.842 1.00 40.31 H new ATOM 0 HD1 HIS A 18 2.725 4.214 -21.378 1.00 50.21 H new ATOM 0 HD2 HIS A 18 -1.093 3.479 -19.777 1.00 25.02 H new ATOM 0 HE1 HIS A 18 1.463 6.438 -21.409 1.00 64.43 H new ATOM 284 N THR A 19 3.610 0.028 -21.220 1.00 13.43 N ATOM 285 CA THR A 19 4.488 -1.118 -21.052 1.00 60.21 C ATOM 286 C THR A 19 5.681 -0.751 -20.168 1.00 32.10 C ATOM 287 O THR A 19 6.516 0.065 -20.554 1.00 32.41 O ATOM 288 CB THR A 19 4.890 -1.612 -22.443 1.00 74.25 C ATOM 289 OG1 THR A 19 5.335 -0.436 -23.114 1.00 32.15 O ATOM 290 CG2 THR A 19 3.690 -2.081 -23.268 1.00 61.22 C ATOM 0 H THR A 19 4.057 0.933 -21.073 1.00 13.43 H new ATOM 0 HA THR A 19 3.981 -1.933 -20.536 1.00 60.21 H new ATOM 0 HB THR A 19 5.604 -2.430 -22.345 1.00 74.25 H new ATOM 0 HG1 THR A 19 5.851 0.120 -22.493 1.00 32.15 H new ATOM 0 HG21 THR A 19 4.031 -2.421 -24.246 1.00 61.22 H new ATOM 0 HG22 THR A 19 3.192 -2.902 -22.752 1.00 61.22 H new ATOM 0 HG23 THR A 19 2.991 -1.255 -23.395 1.00 61.22 H new ATOM 298 N VAL A 20 5.724 -1.373 -18.999 1.00 73.30 N ATOM 299 CA VAL A 20 6.801 -1.122 -18.057 1.00 62.41 C ATOM 300 C VAL A 20 8.006 -1.992 -18.423 1.00 42.31 C ATOM 301 O VAL A 20 8.545 -2.700 -17.576 1.00 23.32 O ATOM 302 CB VAL A 20 6.310 -1.355 -16.626 1.00 73.02 C ATOM 303 CG1 VAL A 20 4.944 -0.704 -16.404 1.00 11.15 C ATOM 304 CG2 VAL A 20 6.267 -2.848 -16.296 1.00 54.03 C ATOM 0 H VAL A 20 5.030 -2.050 -18.683 1.00 73.30 H new ATOM 0 HA VAL A 20 7.121 -0.082 -18.112 1.00 62.41 H new ATOM 0 HB VAL A 20 7.021 -0.884 -15.947 1.00 73.02 H new ATOM 0 HG11 VAL A 20 4.617 -0.884 -15.380 1.00 11.15 H new ATOM 0 HG12 VAL A 20 5.020 0.369 -16.577 1.00 11.15 H new ATOM 0 HG13 VAL A 20 4.220 -1.133 -17.096 1.00 11.15 H new ATOM 0 HG21 VAL A 20 5.915 -2.985 -15.274 1.00 54.03 H new ATOM 0 HG22 VAL A 20 5.589 -3.353 -16.984 1.00 54.03 H new ATOM 0 HG23 VAL A 20 7.266 -3.271 -16.395 1.00 54.03 H new ATOM 314 N GLU A 21 8.393 -1.907 -19.688 1.00 2.20 N ATOM 315 CA GLU A 21 9.524 -2.677 -20.177 1.00 22.52 C ATOM 316 C GLU A 21 10.403 -1.811 -21.082 1.00 34.35 C ATOM 317 O GLU A 21 9.954 -1.346 -22.129 1.00 52.54 O ATOM 318 CB GLU A 21 9.055 -3.935 -20.909 1.00 61.35 C ATOM 319 CG GLU A 21 8.513 -3.592 -22.298 1.00 1.24 C ATOM 320 CD GLU A 21 9.622 -3.654 -23.350 1.00 73.45 C ATOM 321 OE1 GLU A 21 9.775 -2.716 -24.147 1.00 31.11 O ATOM 322 OE2 GLU A 21 10.340 -4.726 -23.322 1.00 44.15 O1- ATOM 0 H GLU A 21 7.944 -1.317 -20.388 1.00 2.20 H new ATOM 0 HA GLU A 21 10.120 -2.996 -19.321 1.00 22.52 H new ATOM 0 HB2 GLU A 21 9.884 -4.637 -21.001 1.00 61.35 H new ATOM 0 HB3 GLU A 21 8.280 -4.432 -20.325 1.00 61.35 H new ATOM 0 HG2 GLU A 21 7.716 -4.287 -22.563 1.00 1.24 H new ATOM 0 HG3 GLU A 21 8.075 -2.594 -22.285 1.00 1.24 H new ATOM 330 N LYS A 22 11.640 -1.622 -20.647 1.00 34.22 N ATOM 331 CA LYS A 22 12.586 -0.821 -21.406 1.00 44.40 C ATOM 332 C LYS A 22 12.425 -1.124 -22.897 1.00 4.32 C ATOM 333 O LYS A 22 11.946 -2.194 -23.268 1.00 2.32 O ATOM 334 CB LYS A 22 14.008 -1.037 -20.885 1.00 74.13 C ATOM 335 CG LYS A 22 14.980 -0.035 -21.513 1.00 50.22 C ATOM 336 CD LYS A 22 16.349 -0.099 -20.834 1.00 63.22 C ATOM 337 CE LYS A 22 17.227 1.080 -21.258 1.00 63.42 C ATOM 338 NZ LYS A 22 18.616 0.890 -20.782 1.00 43.00 N1+ ATOM 0 H LYS A 22 12.009 -2.010 -19.779 1.00 34.22 H new ATOM 0 HA LYS A 22 12.379 0.241 -21.273 1.00 44.40 H new ATOM 0 HB2 LYS A 22 14.022 -0.931 -19.800 1.00 74.13 H new ATOM 0 HB3 LYS A 22 14.331 -2.053 -21.111 1.00 74.13 H new ATOM 0 HG2 LYS A 22 15.088 -0.246 -22.577 1.00 50.22 H new ATOM 0 HG3 LYS A 22 14.574 0.973 -21.427 1.00 50.22 H new ATOM 0 HD2 LYS A 22 16.223 -0.092 -19.751 1.00 63.22 H new ATOM 0 HD3 LYS A 22 16.843 -1.036 -21.091 1.00 63.22 H new ATOM 0 HE2 LYS A 22 17.218 1.175 -22.344 1.00 63.42 H new ATOM 0 HE3 LYS A 22 16.821 2.007 -20.853 1.00 63.42 H new ATOM 0 HZ1 LYS A 22 19.198 1.699 -21.078 1.00 43.00 H new ATOM 0 HZ2 LYS A 22 18.621 0.821 -19.744 1.00 43.00 H new ATOM 0 HZ3 LYS A 22 19.006 0.016 -21.189 1.00 43.00 H new ATOM 351 N GLY A 23 12.833 -0.163 -23.711 1.00 52.14 N ATOM 352 CA GLY A 23 12.740 -0.312 -25.153 1.00 30.32 C ATOM 353 C GLY A 23 11.279 -0.333 -25.608 1.00 2.14 C ATOM 354 O GLY A 23 10.989 -0.645 -26.763 1.00 23.14 O ATOM 0 H GLY A 23 13.230 0.724 -23.399 1.00 52.14 H new ATOM 0 HA2 GLY A 23 13.265 0.509 -25.642 1.00 30.32 H new ATOM 0 HA3 GLY A 23 13.234 -1.234 -25.460 1.00 30.32 H new ATOM 358 N GLY A 24 10.398 0.005 -24.678 1.00 32.53 N ATOM 359 CA GLY A 24 8.974 0.030 -24.970 1.00 33.34 C ATOM 360 C GLY A 24 8.709 0.626 -26.355 1.00 72.53 C ATOM 361 O GLY A 24 9.567 1.305 -26.917 1.00 13.20 O ATOM 0 H GLY A 24 10.642 0.264 -23.722 1.00 32.53 H new ATOM 0 HA2 GLY A 24 8.571 -0.982 -24.922 1.00 33.34 H new ATOM 0 HA3 GLY A 24 8.454 0.616 -24.212 1.00 33.34 H new ATOM 365 N LYS A 25 7.517 0.351 -26.864 1.00 11.42 N ATOM 366 CA LYS A 25 7.127 0.850 -28.170 1.00 2.02 C ATOM 367 C LYS A 25 6.248 2.089 -27.997 1.00 31.52 C ATOM 368 O LYS A 25 6.032 2.550 -26.877 1.00 72.44 O ATOM 369 CB LYS A 25 6.470 -0.259 -28.995 1.00 24.30 C ATOM 370 CG LYS A 25 7.497 -1.316 -29.407 1.00 22.43 C ATOM 371 CD LYS A 25 7.093 -1.990 -30.720 1.00 53.42 C ATOM 372 CE LYS A 25 7.718 -3.382 -30.836 1.00 11.53 C ATOM 373 NZ LYS A 25 7.138 -4.116 -31.984 1.00 63.31 N1+ ATOM 0 H LYS A 25 6.808 -0.212 -26.394 1.00 11.42 H new ATOM 0 HA LYS A 25 8.006 1.158 -28.736 1.00 2.02 H new ATOM 0 HB2 LYS A 25 5.674 -0.726 -28.415 1.00 24.30 H new ATOM 0 HB3 LYS A 25 6.007 0.169 -29.884 1.00 24.30 H new ATOM 0 HG2 LYS A 25 8.477 -0.852 -29.519 1.00 22.43 H new ATOM 0 HG3 LYS A 25 7.587 -2.066 -28.622 1.00 22.43 H new ATOM 0 HD2 LYS A 25 6.007 -2.069 -30.773 1.00 53.42 H new ATOM 0 HD3 LYS A 25 7.409 -1.374 -31.562 1.00 53.42 H new ATOM 0 HE2 LYS A 25 8.797 -3.293 -30.961 1.00 11.53 H new ATOM 0 HE3 LYS A 25 7.548 -3.941 -29.916 1.00 11.53 H new ATOM 0 HZ1 LYS A 25 7.573 -5.059 -32.049 1.00 63.31 H new ATOM 0 HZ2 LYS A 25 6.112 -4.217 -31.849 1.00 63.31 H new ATOM 0 HZ3 LYS A 25 7.322 -3.589 -32.862 1.00 63.31 H new ATOM 386 N HIS A 26 5.763 2.595 -29.122 1.00 25.51 N ATOM 387 CA HIS A 26 4.911 3.772 -29.107 1.00 74.44 C ATOM 388 C HIS A 26 3.489 3.382 -29.518 1.00 45.22 C ATOM 389 O HIS A 26 2.825 4.119 -30.245 1.00 2.22 O ATOM 390 CB HIS A 26 5.499 4.878 -29.984 1.00 11.11 C ATOM 391 CG HIS A 26 6.567 5.701 -29.303 1.00 12.42 C ATOM 392 ND1 HIS A 26 6.990 5.454 -28.008 1.00 62.23 N ATOM 393 CD2 HIS A 26 7.294 6.765 -29.750 1.00 45.21 C ATOM 394 CE1 HIS A 26 7.928 6.337 -27.700 1.00 75.04 C ATOM 395 NE2 HIS A 26 8.115 7.149 -28.781 1.00 43.14 N ATOM 0 H HIS A 26 5.944 2.211 -30.050 1.00 25.51 H new ATOM 0 HA HIS A 26 4.861 4.177 -28.096 1.00 74.44 H new ATOM 0 HB2 HIS A 26 5.920 4.429 -30.884 1.00 11.11 H new ATOM 0 HB3 HIS A 26 4.694 5.540 -30.304 1.00 11.11 H new ATOM 0 HD2 HIS A 26 7.215 7.218 -30.727 1.00 45.21 H new ATOM 0 HE1 HIS A 26 8.453 6.403 -26.758 1.00 75.04 H new ATOM 0 HE2 HIS A 26 8.777 7.923 -28.835 1.00 43.14 H new ATOM 403 N LYS A 27 3.065 2.224 -29.035 1.00 44.03 N ATOM 404 CA LYS A 27 1.734 1.727 -29.343 1.00 53.42 C ATOM 405 C LYS A 27 0.696 2.773 -28.932 1.00 34.44 C ATOM 406 O LYS A 27 1.043 3.921 -28.656 1.00 33.44 O ATOM 407 CB LYS A 27 1.512 0.357 -28.699 1.00 74.10 C ATOM 408 CG LYS A 27 1.653 -0.763 -29.733 1.00 42.43 C ATOM 409 CD LYS A 27 3.060 -1.364 -29.702 1.00 54.03 C ATOM 410 CE LYS A 27 3.257 -2.235 -28.460 1.00 14.52 C ATOM 411 NZ LYS A 27 4.359 -3.200 -28.674 1.00 5.14 N1+ ATOM 0 H LYS A 27 3.619 1.615 -28.433 1.00 44.03 H new ATOM 0 HA LYS A 27 1.624 1.572 -30.416 1.00 53.42 H new ATOM 0 HB2 LYS A 27 2.233 0.208 -27.895 1.00 74.10 H new ATOM 0 HB3 LYS A 27 0.520 0.319 -28.249 1.00 74.10 H new ATOM 0 HG2 LYS A 27 0.917 -1.542 -29.534 1.00 42.43 H new ATOM 0 HG3 LYS A 27 1.442 -0.372 -30.729 1.00 42.43 H new ATOM 0 HD2 LYS A 27 3.224 -1.961 -30.599 1.00 54.03 H new ATOM 0 HD3 LYS A 27 3.801 -0.565 -29.711 1.00 54.03 H new ATOM 0 HE2 LYS A 27 3.479 -1.605 -27.598 1.00 14.52 H new ATOM 0 HE3 LYS A 27 2.335 -2.771 -28.234 1.00 14.52 H new ATOM 0 HZ1 LYS A 27 4.115 -4.109 -28.232 1.00 5.14 H new ATOM 0 HZ2 LYS A 27 4.505 -3.339 -29.694 1.00 5.14 H new ATOM 0 HZ3 LYS A 27 5.232 -2.830 -28.246 1.00 5.14 H new ATOM 424 N THR A 28 -0.555 2.341 -28.906 1.00 74.51 N ATOM 425 CA THR A 28 -1.646 3.225 -28.535 1.00 2.42 C ATOM 426 C THR A 28 -1.216 4.154 -27.397 1.00 41.14 C ATOM 427 O THR A 28 -1.700 5.280 -27.294 1.00 32.05 O ATOM 428 CB THR A 28 -2.859 2.361 -28.188 1.00 52.12 C ATOM 429 OG1 THR A 28 -3.252 1.796 -29.436 1.00 43.31 O ATOM 430 CG2 THR A 28 -4.069 3.194 -27.759 1.00 32.01 C ATOM 0 H THR A 28 -0.838 1.389 -29.136 1.00 74.51 H new ATOM 0 HA THR A 28 -1.922 3.880 -29.361 1.00 2.42 H new ATOM 0 HB THR A 28 -2.594 1.668 -27.389 1.00 52.12 H new ATOM 0 HG1 THR A 28 -4.033 1.219 -29.302 1.00 43.31 H new ATOM 0 HG21 THR A 28 -4.902 2.531 -27.524 1.00 32.01 H new ATOM 0 HG22 THR A 28 -3.812 3.781 -26.877 1.00 32.01 H new ATOM 0 HG23 THR A 28 -4.356 3.864 -28.570 1.00 32.01 H new ATOM 438 N GLY A 29 -0.311 3.647 -26.573 1.00 64.54 N ATOM 439 CA GLY A 29 0.190 4.417 -25.447 1.00 55.30 C ATOM 440 C GLY A 29 1.719 4.474 -25.460 1.00 1.42 C ATOM 441 O GLY A 29 2.374 3.568 -25.971 1.00 41.14 O ATOM 0 H GLY A 29 0.088 2.713 -26.662 1.00 64.54 H new ATOM 0 HA2 GLY A 29 -0.216 5.428 -25.484 1.00 55.30 H new ATOM 0 HA3 GLY A 29 -0.153 3.970 -24.514 1.00 55.30 H new ATOM 445 N PRO A 30 2.257 5.579 -24.876 1.00 74.54 N ATOM 446 CA PRO A 30 3.698 5.767 -24.815 1.00 74.11 C ATOM 447 C PRO A 30 4.324 4.858 -23.755 1.00 24.32 C ATOM 448 O PRO A 30 3.615 4.256 -22.951 1.00 24.23 O ATOM 449 CB PRO A 30 3.888 7.245 -24.518 1.00 41.30 C ATOM 450 CG PRO A 30 2.560 7.735 -23.965 1.00 54.01 C ATOM 451 CD PRO A 30 1.513 6.673 -24.260 1.00 12.13 C ATOM 0 HA PRO A 30 4.199 5.493 -25.744 1.00 74.11 H new ATOM 0 HB2 PRO A 30 4.691 7.398 -23.797 1.00 41.30 H new ATOM 0 HB3 PRO A 30 4.161 7.792 -25.420 1.00 41.30 H new ATOM 0 HG2 PRO A 30 2.635 7.910 -22.892 1.00 54.01 H new ATOM 0 HG3 PRO A 30 2.282 8.684 -24.424 1.00 54.01 H new ATOM 0 HD2 PRO A 30 1.012 6.347 -23.348 1.00 12.13 H new ATOM 0 HD3 PRO A 30 0.741 7.053 -24.929 1.00 12.13 H new ATOM 459 N ASN A 31 5.647 4.788 -23.790 1.00 21.33 N ATOM 460 CA ASN A 31 6.378 3.963 -22.844 1.00 33.24 C ATOM 461 C ASN A 31 6.326 4.614 -21.460 1.00 11.33 C ATOM 462 O ASN A 31 6.214 5.834 -21.348 1.00 70.42 O ATOM 463 CB ASN A 31 7.847 3.830 -23.248 1.00 44.34 C ATOM 464 CG ASN A 31 8.680 3.247 -22.105 1.00 45.33 C ATOM 465 OD1 ASN A 31 8.523 1.937 -21.935 1.00 35.40 O flip ATOM 466 ND2 ASN A 31 9.416 3.940 -21.423 1.00 71.13 N flip ATOM 0 H ASN A 31 6.231 5.289 -24.459 1.00 21.33 H new ATOM 0 HA ASN A 31 5.917 2.975 -22.832 1.00 33.24 H new ATOM 0 HB2 ASN A 31 7.930 3.190 -24.126 1.00 44.34 H new ATOM 0 HB3 ASN A 31 8.241 4.807 -23.528 1.00 44.34 H new ATOM 0 HD21 ASN A 31 9.490 4.940 -21.607 1.00 71.13 H new ATOM 0 HD22 ASN A 31 9.958 3.519 -20.668 1.00 71.13 H new ATOM 473 N LEU A 32 6.409 3.772 -20.441 1.00 25.52 N ATOM 474 CA LEU A 32 6.373 4.251 -19.069 1.00 3.12 C ATOM 475 C LEU A 32 7.702 3.925 -18.385 1.00 43.31 C ATOM 476 O LEU A 32 8.222 4.732 -17.616 1.00 21.41 O ATOM 477 CB LEU A 32 5.151 3.690 -18.339 1.00 53.22 C ATOM 478 CG LEU A 32 3.792 4.213 -18.806 1.00 2.33 C ATOM 479 CD1 LEU A 32 2.724 4.008 -17.728 1.00 33.31 C ATOM 480 CD2 LEU A 32 3.888 5.675 -19.245 1.00 64.04 C ATOM 0 H LEU A 32 6.501 2.761 -20.537 1.00 25.52 H new ATOM 0 HA LEU A 32 6.260 5.335 -19.046 1.00 3.12 H new ATOM 0 HB2 LEU A 32 5.156 2.605 -18.444 1.00 53.22 H new ATOM 0 HB3 LEU A 32 5.256 3.908 -17.276 1.00 53.22 H new ATOM 0 HG LEU A 32 3.486 3.634 -19.677 1.00 2.33 H new ATOM 0 HD11 LEU A 32 1.768 4.389 -18.086 1.00 33.31 H new ATOM 0 HD12 LEU A 32 2.631 2.945 -17.505 1.00 33.31 H new ATOM 0 HD13 LEU A 32 3.012 4.544 -16.824 1.00 33.31 H new ATOM 0 HD21 LEU A 32 2.908 6.022 -19.572 1.00 64.04 H new ATOM 0 HD22 LEU A 32 4.228 6.285 -18.408 1.00 64.04 H new ATOM 0 HD23 LEU A 32 4.597 5.762 -20.068 1.00 64.04 H new ATOM 492 N HIS A 33 8.213 2.741 -18.689 1.00 23.30 N ATOM 493 CA HIS A 33 9.471 2.298 -18.112 1.00 74.15 C ATOM 494 C HIS A 33 10.456 3.468 -18.072 1.00 20.01 C ATOM 495 O HIS A 33 11.102 3.776 -19.071 1.00 41.10 O ATOM 496 CB HIS A 33 10.020 1.087 -18.871 1.00 31.34 C ATOM 497 CG HIS A 33 11.090 0.328 -18.123 1.00 51.32 C ATOM 498 ND1 HIS A 33 12.442 0.558 -18.311 1.00 11.24 N ATOM 499 CD2 HIS A 33 10.993 -0.657 -17.185 1.00 72.42 C ATOM 500 CE1 HIS A 33 13.118 -0.259 -17.517 1.00 33.45 C ATOM 501 NE2 HIS A 33 12.219 -1.012 -16.820 1.00 33.01 N ATOM 0 H HIS A 33 7.779 2.075 -19.328 1.00 23.30 H new ATOM 0 HA HIS A 33 9.309 1.968 -17.086 1.00 74.15 H new ATOM 0 HB2 HIS A 33 9.197 0.408 -19.096 1.00 31.34 H new ATOM 0 HB3 HIS A 33 10.426 1.423 -19.825 1.00 31.34 H new ATOM 0 HD2 HIS A 33 10.074 -1.077 -16.804 1.00 72.42 H new ATOM 0 HE1 HIS A 33 14.193 -0.319 -17.436 1.00 33.45 H new ATOM 0 HE2 HIS A 33 12.450 -1.729 -16.132 1.00 33.01 H new ATOM 509 N GLY A 34 10.540 4.089 -16.903 1.00 13.14 N ATOM 510 CA GLY A 34 11.434 5.218 -16.718 1.00 20.04 C ATOM 511 C GLY A 34 10.696 6.543 -16.923 1.00 32.42 C ATOM 512 O GLY A 34 11.165 7.413 -17.655 1.00 44.34 O ATOM 0 H GLY A 34 10.003 3.830 -16.075 1.00 13.14 H new ATOM 0 HA2 GLY A 34 11.861 5.187 -15.716 1.00 20.04 H new ATOM 0 HA3 GLY A 34 12.264 5.148 -17.421 1.00 20.04 H new ATOM 516 N LEU A 35 9.553 6.653 -16.261 1.00 32.24 N ATOM 517 CA LEU A 35 8.745 7.857 -16.361 1.00 31.25 C ATOM 518 C LEU A 35 8.973 8.724 -15.122 1.00 52.04 C ATOM 519 O LEU A 35 8.728 9.929 -15.148 1.00 22.11 O ATOM 520 CB LEU A 35 7.277 7.498 -16.599 1.00 41.23 C ATOM 521 CG LEU A 35 6.249 8.526 -16.121 1.00 31.03 C ATOM 522 CD1 LEU A 35 4.986 8.482 -16.984 1.00 5.42 C ATOM 523 CD2 LEU A 35 5.935 8.338 -14.636 1.00 1.05 C ATOM 0 H LEU A 35 9.168 5.929 -15.654 1.00 32.24 H new ATOM 0 HA LEU A 35 9.049 8.449 -17.224 1.00 31.25 H new ATOM 0 HB2 LEU A 35 7.131 7.338 -17.667 1.00 41.23 H new ATOM 0 HB3 LEU A 35 7.071 6.549 -16.103 1.00 41.23 H new ATOM 0 HG LEU A 35 6.682 9.520 -16.235 1.00 31.03 H new ATOM 0 HD11 LEU A 35 4.272 9.222 -16.623 1.00 5.42 H new ATOM 0 HD12 LEU A 35 5.245 8.703 -18.019 1.00 5.42 H new ATOM 0 HD13 LEU A 35 4.540 7.489 -16.926 1.00 5.42 H new ATOM 0 HD21 LEU A 35 5.202 9.081 -14.322 1.00 1.05 H new ATOM 0 HD22 LEU A 35 5.531 7.339 -14.473 1.00 1.05 H new ATOM 0 HD23 LEU A 35 6.848 8.460 -14.053 1.00 1.05 H new ATOM 535 N PHE A 36 9.441 8.076 -14.064 1.00 20.52 N ATOM 536 CA PHE A 36 9.706 8.772 -12.816 1.00 73.41 C ATOM 537 C PHE A 36 11.056 9.490 -12.865 1.00 62.01 C ATOM 538 O PHE A 36 12.101 8.867 -12.685 1.00 45.32 O ATOM 539 CB PHE A 36 9.743 7.714 -11.712 1.00 3.55 C ATOM 540 CG PHE A 36 8.370 7.145 -11.348 1.00 31.21 C ATOM 541 CD1 PHE A 36 7.683 6.396 -12.251 1.00 55.31 C ATOM 542 CD2 PHE A 36 7.836 7.390 -10.121 1.00 21.25 C ATOM 543 CE1 PHE A 36 6.408 5.869 -11.914 1.00 43.54 C ATOM 544 CE2 PHE A 36 6.562 6.862 -9.784 1.00 11.12 C ATOM 545 CZ PHE A 36 5.875 6.113 -10.687 1.00 24.50 C ATOM 0 H PHE A 36 9.643 7.076 -14.046 1.00 20.52 H new ATOM 0 HA PHE A 36 8.934 9.520 -12.636 1.00 73.41 H new ATOM 0 HB2 PHE A 36 10.391 6.897 -12.028 1.00 3.55 H new ATOM 0 HB3 PHE A 36 10.192 8.150 -10.820 1.00 3.55 H new ATOM 0 HD1 PHE A 36 8.107 6.202 -13.225 1.00 55.31 H new ATOM 0 HD2 PHE A 36 8.381 7.986 -9.404 1.00 21.25 H new ATOM 0 HE1 PHE A 36 5.862 5.275 -12.632 1.00 43.54 H new ATOM 0 HE2 PHE A 36 6.138 7.055 -8.810 1.00 11.12 H new ATOM 0 HZ PHE A 36 4.906 5.712 -10.430 1.00 24.50 H new ATOM 555 N GLY A 37 10.990 10.791 -13.108 1.00 72.03 N ATOM 556 CA GLY A 37 12.195 11.600 -13.182 1.00 54.23 C ATOM 557 C GLY A 37 12.396 12.156 -14.593 1.00 11.10 C ATOM 558 O GLY A 37 13.526 12.398 -15.014 1.00 34.13 O ATOM 0 H GLY A 37 10.121 11.305 -13.256 1.00 72.03 H new ATOM 0 HA2 GLY A 37 12.130 12.422 -12.469 1.00 54.23 H new ATOM 0 HA3 GLY A 37 13.059 10.999 -12.898 1.00 54.23 H new ATOM 562 N ARG A 38 11.282 12.344 -15.285 1.00 20.32 N ATOM 563 CA ARG A 38 11.321 12.867 -16.640 1.00 21.31 C ATOM 564 C ARG A 38 10.128 13.793 -16.886 1.00 12.13 C ATOM 565 O ARG A 38 9.108 13.691 -16.207 1.00 64.01 O ATOM 566 CB ARG A 38 11.300 11.735 -17.669 1.00 72.11 C ATOM 567 CG ARG A 38 9.985 10.957 -17.601 1.00 4.21 C ATOM 568 CD ARG A 38 9.617 10.382 -18.970 1.00 70.22 C ATOM 569 NE ARG A 38 10.683 9.469 -19.439 1.00 24.34 N ATOM 570 CZ ARG A 38 10.490 8.475 -20.330 1.00 4.41 C ATOM 571 NH1 ARG A 38 9.268 8.256 -20.860 1.00 32.22 N ATOM 572 NH2 ARG A 38 11.515 7.719 -20.679 1.00 41.32 N1+ ATOM 0 H ARG A 38 10.346 12.143 -14.932 1.00 20.32 H new ATOM 0 HA ARG A 38 12.249 13.427 -16.752 1.00 21.31 H new ATOM 0 HB2 ARG A 38 11.432 12.146 -18.670 1.00 72.11 H new ATOM 0 HB3 ARG A 38 12.136 11.059 -17.489 1.00 72.11 H new ATOM 0 HG2 ARG A 38 10.074 10.149 -16.875 1.00 4.21 H new ATOM 0 HG3 ARG A 38 9.188 11.613 -17.252 1.00 4.21 H new ATOM 0 HD2 ARG A 38 8.670 9.846 -18.906 1.00 70.22 H new ATOM 0 HD3 ARG A 38 9.478 11.191 -19.688 1.00 70.22 H new ATOM 0 HE ARG A 38 11.623 9.600 -19.065 1.00 24.34 H new ATOM 0 HH11 ARG A 38 8.481 8.845 -20.587 1.00 32.22 H new ATOM 0 HH12 ARG A 38 9.132 7.502 -21.533 1.00 32.22 H new ATOM 0 HH21 ARG A 38 12.436 7.891 -20.276 1.00 41.32 H new ATOM 0 HH22 ARG A 38 11.386 6.963 -21.352 1.00 41.32 H new ATOM 585 N LYS A 39 10.296 14.676 -17.861 1.00 13.22 N ATOM 586 CA LYS A 39 9.246 15.619 -18.205 1.00 74.33 C ATOM 587 C LYS A 39 8.226 14.930 -19.114 1.00 3.51 C ATOM 588 O LYS A 39 8.440 13.800 -19.548 1.00 62.53 O ATOM 589 CB LYS A 39 9.845 16.891 -18.807 1.00 1.41 C ATOM 590 CG LYS A 39 8.811 18.019 -18.846 1.00 54.01 C ATOM 591 CD LYS A 39 9.494 19.389 -18.844 1.00 44.05 C ATOM 592 CE LYS A 39 9.715 19.888 -17.415 1.00 41.14 C ATOM 593 NZ LYS A 39 8.423 20.015 -16.705 1.00 34.23 N1+ ATOM 0 H LYS A 39 11.143 14.757 -18.423 1.00 13.22 H new ATOM 0 HA LYS A 39 8.712 15.938 -17.310 1.00 74.33 H new ATOM 0 HB2 LYS A 39 10.708 17.204 -18.219 1.00 1.41 H new ATOM 0 HB3 LYS A 39 10.203 16.686 -19.816 1.00 1.41 H new ATOM 0 HG2 LYS A 39 8.192 17.919 -19.737 1.00 54.01 H new ATOM 0 HG3 LYS A 39 8.147 17.938 -17.985 1.00 54.01 H new ATOM 0 HD2 LYS A 39 10.451 19.323 -19.362 1.00 44.05 H new ATOM 0 HD3 LYS A 39 8.883 20.105 -19.393 1.00 44.05 H new ATOM 0 HE2 LYS A 39 10.365 19.197 -16.879 1.00 41.14 H new ATOM 0 HE3 LYS A 39 10.222 20.853 -17.435 1.00 41.14 H new ATOM 0 HZ1 LYS A 39 8.518 20.705 -15.932 1.00 34.23 H new ATOM 0 HZ2 LYS A 39 7.692 20.338 -17.370 1.00 34.23 H new ATOM 0 HZ3 LYS A 39 8.150 19.091 -16.313 1.00 34.23 H new ATOM 606 N THR A 40 7.139 15.641 -19.374 1.00 65.31 N ATOM 607 CA THR A 40 6.084 15.111 -20.223 1.00 31.43 C ATOM 608 C THR A 40 6.328 15.505 -21.681 1.00 44.43 C ATOM 609 O THR A 40 6.461 16.687 -21.995 1.00 33.44 O ATOM 610 CB THR A 40 4.745 15.605 -19.675 1.00 11.21 C ATOM 611 OG1 THR A 40 4.751 17.004 -19.950 1.00 13.44 O ATOM 612 CG2 THR A 40 4.670 15.525 -18.149 1.00 70.11 C ATOM 0 H THR A 40 6.965 16.579 -19.012 1.00 65.31 H new ATOM 0 HA THR A 40 6.073 14.021 -20.211 1.00 31.43 H new ATOM 0 HB THR A 40 3.937 15.016 -20.109 1.00 11.21 H new ATOM 0 HG1 THR A 40 5.506 17.219 -20.536 1.00 13.44 H new ATOM 0 HG21 THR A 40 3.699 15.888 -17.813 1.00 70.11 H new ATOM 0 HG22 THR A 40 4.800 14.490 -17.832 1.00 70.11 H new ATOM 0 HG23 THR A 40 5.458 16.140 -17.713 1.00 70.11 H new ATOM 620 N GLY A 41 6.376 14.492 -22.534 1.00 74.22 N ATOM 621 CA GLY A 41 6.600 14.717 -23.952 1.00 71.51 C ATOM 622 C GLY A 41 8.052 14.416 -24.333 1.00 41.34 C ATOM 623 O GLY A 41 8.518 14.834 -25.391 1.00 43.02 O ATOM 0 H GLY A 41 6.264 13.513 -22.270 1.00 74.22 H new ATOM 0 HA2 GLY A 41 5.929 14.085 -24.534 1.00 71.51 H new ATOM 0 HA3 GLY A 41 6.362 15.751 -24.202 1.00 71.51 H new ATOM 627 N GLN A 42 8.724 13.694 -23.448 1.00 44.12 N ATOM 628 CA GLN A 42 10.112 13.333 -23.678 1.00 73.11 C ATOM 629 C GLN A 42 10.197 12.021 -24.459 1.00 50.22 C ATOM 630 O GLN A 42 11.022 11.162 -24.151 1.00 50.14 O ATOM 631 CB GLN A 42 10.879 13.234 -22.357 1.00 52.53 C ATOM 632 CG GLN A 42 10.705 14.508 -21.527 1.00 41.42 C ATOM 633 CD GLN A 42 11.092 15.747 -22.335 1.00 13.22 C ATOM 634 OE1 GLN A 42 10.076 16.313 -22.979 1.00 42.03 O flip ATOM 635 NE2 GLN A 42 12.238 16.163 -22.371 1.00 33.53 N flip ATOM 0 H GLN A 42 8.333 13.350 -22.571 1.00 44.12 H new ATOM 0 HA GLN A 42 10.577 14.119 -24.273 1.00 73.11 H new ATOM 0 HB2 GLN A 42 10.524 12.374 -21.789 1.00 52.53 H new ATOM 0 HB3 GLN A 42 11.937 13.068 -22.558 1.00 52.53 H new ATOM 0 HG2 GLN A 42 9.669 14.593 -21.198 1.00 41.42 H new ATOM 0 HG3 GLN A 42 11.321 14.448 -20.629 1.00 41.42 H new ATOM 0 HE21 GLN A 42 12.972 15.681 -21.853 1.00 33.53 H new ATOM 0 HE22 GLN A 42 12.462 16.993 -22.919 1.00 33.53 H new ATOM 644 N ALA A 43 9.333 11.906 -25.457 1.00 21.43 N ATOM 645 CA ALA A 43 9.300 10.714 -26.286 1.00 13.43 C ATOM 646 C ALA A 43 9.262 11.122 -27.760 1.00 25.42 C ATOM 647 O ALA A 43 8.199 11.432 -28.295 1.00 21.44 O ATOM 648 CB ALA A 43 8.099 9.850 -25.890 1.00 52.04 C ATOM 0 H ALA A 43 8.650 12.620 -25.710 1.00 21.43 H new ATOM 0 HA ALA A 43 10.198 10.116 -26.133 1.00 13.43 H new ATOM 0 HB1 ALA A 43 8.074 8.955 -26.512 1.00 52.04 H new ATOM 0 HB2 ALA A 43 8.188 9.562 -24.843 1.00 52.04 H new ATOM 0 HB3 ALA A 43 7.179 10.418 -26.033 1.00 52.04 H new ATOM 654 N PRO A 44 10.467 11.111 -28.391 1.00 54.23 N ATOM 655 CA PRO A 44 10.581 11.476 -29.792 1.00 32.32 C ATOM 656 C PRO A 44 10.057 10.358 -30.695 1.00 45.34 C ATOM 657 O PRO A 44 9.938 9.212 -30.265 1.00 73.41 O ATOM 658 CB PRO A 44 12.057 11.768 -30.004 1.00 53.35 C ATOM 659 CG PRO A 44 12.782 11.109 -28.841 1.00 23.34 C ATOM 660 CD PRO A 44 11.747 10.749 -27.789 1.00 50.12 C ATOM 0 HA PRO A 44 9.976 12.345 -30.050 1.00 32.32 H new ATOM 0 HB2 PRO A 44 12.402 11.367 -30.957 1.00 53.35 H new ATOM 0 HB3 PRO A 44 12.244 12.842 -30.023 1.00 53.35 H new ATOM 0 HG2 PRO A 44 13.311 10.217 -29.177 1.00 23.34 H new ATOM 0 HG3 PRO A 44 13.529 11.785 -28.425 1.00 23.34 H new ATOM 0 HD2 PRO A 44 11.784 9.687 -27.544 1.00 50.12 H new ATOM 0 HD3 PRO A 44 11.918 11.296 -26.862 1.00 50.12 H new ATOM 668 N GLY A 45 9.762 10.729 -31.932 1.00 22.12 N ATOM 669 CA GLY A 45 9.255 9.771 -32.900 1.00 73.44 C ATOM 670 C GLY A 45 7.888 9.230 -32.472 1.00 55.25 C ATOM 671 O GLY A 45 7.506 8.126 -32.856 1.00 72.31 O ATOM 0 H GLY A 45 9.864 11.680 -32.286 1.00 22.12 H new ATOM 0 HA2 GLY A 45 9.172 10.246 -33.878 1.00 73.44 H new ATOM 0 HA3 GLY A 45 9.960 8.946 -33.004 1.00 73.44 H new ATOM 675 N TYR A 46 7.190 10.033 -31.683 1.00 11.53 N ATOM 676 CA TYR A 46 5.876 9.649 -31.198 1.00 1.24 C ATOM 677 C TYR A 46 4.818 10.677 -31.607 1.00 3.31 C ATOM 678 O TYR A 46 5.153 11.789 -32.014 1.00 11.32 O ATOM 679 CB TYR A 46 5.979 9.622 -29.672 1.00 41.13 C ATOM 680 CG TYR A 46 4.753 9.030 -28.975 1.00 1.24 C ATOM 681 CD1 TYR A 46 4.098 7.948 -29.529 1.00 44.14 C ATOM 682 CD2 TYR A 46 4.299 9.579 -27.793 1.00 52.02 C ATOM 683 CE1 TYR A 46 2.944 7.391 -28.874 1.00 65.11 C ATOM 684 CE2 TYR A 46 3.145 9.022 -27.136 1.00 32.21 C ATOM 685 CZ TYR A 46 2.524 7.956 -27.709 1.00 34.24 C ATOM 686 OH TYR A 46 1.434 7.429 -27.090 1.00 1.12 O ATOM 0 H TYR A 46 7.510 10.949 -31.367 1.00 11.53 H new ATOM 0 HA TYR A 46 5.581 8.686 -31.614 1.00 1.24 H new ATOM 0 HB2 TYR A 46 6.859 9.045 -29.388 1.00 41.13 H new ATOM 0 HB3 TYR A 46 6.134 10.639 -29.311 1.00 41.13 H new ATOM 0 HD1 TYR A 46 4.452 7.519 -30.455 1.00 44.14 H new ATOM 0 HD2 TYR A 46 4.809 10.427 -27.361 1.00 52.02 H new ATOM 0 HE1 TYR A 46 2.423 6.545 -29.297 1.00 65.11 H new ATOM 0 HE2 TYR A 46 2.781 9.441 -26.210 1.00 32.21 H new ATOM 0 HH TYR A 46 1.378 6.470 -27.286 1.00 1.12 H new ATOM 696 N SER A 47 3.564 10.268 -31.487 1.00 12.14 N ATOM 697 CA SER A 47 2.456 11.139 -31.839 1.00 63.25 C ATOM 698 C SER A 47 1.661 11.508 -30.586 1.00 53.23 C ATOM 699 O SER A 47 0.479 11.184 -30.477 1.00 5.24 O ATOM 700 CB SER A 47 1.542 10.478 -32.872 1.00 53.34 C ATOM 701 OG SER A 47 2.259 10.060 -34.030 1.00 2.34 O ATOM 0 H SER A 47 3.291 9.345 -31.151 1.00 12.14 H new ATOM 0 HA SER A 47 2.864 12.047 -32.283 1.00 63.25 H new ATOM 0 HB2 SER A 47 1.048 9.617 -32.421 1.00 53.34 H new ATOM 0 HB3 SER A 47 0.759 11.178 -33.164 1.00 53.34 H new ATOM 0 HG SER A 47 1.640 9.641 -34.664 1.00 2.34 H new ATOM 707 N TYR A 48 2.342 12.181 -29.668 1.00 51.45 N ATOM 708 CA TYR A 48 1.713 12.598 -28.426 1.00 53.45 C ATOM 709 C TYR A 48 0.468 13.445 -28.698 1.00 22.32 C ATOM 710 O TYR A 48 0.012 13.538 -29.837 1.00 41.51 O ATOM 711 CB TYR A 48 2.749 13.455 -27.696 1.00 50.11 C ATOM 712 CG TYR A 48 3.583 12.684 -26.671 1.00 52.33 C ATOM 713 CD1 TYR A 48 2.958 11.976 -25.665 1.00 54.41 C ATOM 714 CD2 TYR A 48 4.961 12.696 -26.752 1.00 33.34 C ATOM 715 CE1 TYR A 48 3.743 11.251 -24.700 1.00 15.30 C ATOM 716 CE2 TYR A 48 5.746 11.971 -25.788 1.00 74.44 C ATOM 717 CZ TYR A 48 5.098 11.284 -24.809 1.00 60.15 C ATOM 718 OH TYR A 48 5.840 10.599 -23.898 1.00 3.35 O ATOM 0 H TYR A 48 3.322 12.447 -29.760 1.00 51.45 H new ATOM 0 HA TYR A 48 1.402 11.731 -27.844 1.00 53.45 H new ATOM 0 HB2 TYR A 48 3.418 13.903 -28.431 1.00 50.11 H new ATOM 0 HB3 TYR A 48 2.237 14.274 -27.191 1.00 50.11 H new ATOM 0 HD1 TYR A 48 1.880 11.966 -25.601 1.00 54.41 H new ATOM 0 HD2 TYR A 48 5.450 13.250 -27.539 1.00 33.34 H new ATOM 0 HE1 TYR A 48 3.266 10.693 -23.907 1.00 15.30 H new ATOM 0 HE2 TYR A 48 6.825 11.972 -25.841 1.00 74.44 H new ATOM 0 HH TYR A 48 5.335 9.820 -23.584 1.00 3.35 H new ATOM 728 N THR A 49 -0.047 14.041 -27.633 1.00 35.11 N ATOM 729 CA THR A 49 -1.230 14.878 -27.742 1.00 64.22 C ATOM 730 C THR A 49 -0.869 16.345 -27.502 1.00 54.14 C ATOM 731 O THR A 49 0.141 16.644 -26.866 1.00 75.51 O ATOM 732 CB THR A 49 -2.280 14.342 -26.766 1.00 13.11 C ATOM 733 OG1 THR A 49 -1.732 14.620 -25.480 1.00 51.35 O ATOM 734 CG2 THR A 49 -2.387 12.816 -26.802 1.00 63.01 C ATOM 0 H THR A 49 0.333 13.961 -26.690 1.00 35.11 H new ATOM 0 HA THR A 49 -1.651 14.840 -28.747 1.00 64.22 H new ATOM 0 HB THR A 49 -3.250 14.780 -27.000 1.00 13.11 H new ATOM 0 HG1 THR A 49 -2.350 14.307 -24.787 1.00 51.35 H new ATOM 0 HG21 THR A 49 -3.146 12.488 -26.091 1.00 63.01 H new ATOM 0 HG22 THR A 49 -2.666 12.494 -27.805 1.00 63.01 H new ATOM 0 HG23 THR A 49 -1.426 12.377 -26.535 1.00 63.01 H new ATOM 742 N ALA A 50 -1.717 17.221 -28.022 1.00 24.34 N ATOM 743 CA ALA A 50 -1.499 18.651 -27.872 1.00 24.32 C ATOM 744 C ALA A 50 -1.605 19.025 -26.392 1.00 54.32 C ATOM 745 O ALA A 50 -1.184 20.110 -25.991 1.00 62.11 O ATOM 746 CB ALA A 50 -2.504 19.413 -28.739 1.00 42.13 C ATOM 0 H ALA A 50 -2.555 16.969 -28.547 1.00 24.34 H new ATOM 0 HA ALA A 50 -0.500 18.926 -28.211 1.00 24.32 H new ATOM 0 HB1 ALA A 50 -2.342 20.485 -28.627 1.00 42.13 H new ATOM 0 HB2 ALA A 50 -2.370 19.132 -29.784 1.00 42.13 H new ATOM 0 HB3 ALA A 50 -3.518 19.165 -28.424 1.00 42.13 H new ATOM 752 N ALA A 51 -2.167 18.107 -25.621 1.00 13.53 N ATOM 753 CA ALA A 51 -2.332 18.327 -24.194 1.00 20.33 C ATOM 754 C ALA A 51 -1.222 17.594 -23.437 1.00 71.23 C ATOM 755 O ALA A 51 -0.991 17.859 -22.259 1.00 42.11 O ATOM 756 CB ALA A 51 -3.729 17.872 -23.766 1.00 31.52 C ATOM 0 H ALA A 51 -2.514 17.209 -25.957 1.00 13.53 H new ATOM 0 HA ALA A 51 -2.247 19.387 -23.957 1.00 20.33 H new ATOM 0 HB1 ALA A 51 -3.853 18.037 -22.696 1.00 31.52 H new ATOM 0 HB2 ALA A 51 -4.481 18.443 -24.311 1.00 31.52 H new ATOM 0 HB3 ALA A 51 -3.850 16.811 -23.986 1.00 31.52 H new ATOM 762 N ASN A 52 -0.566 16.688 -24.146 1.00 33.55 N ATOM 763 CA ASN A 52 0.514 15.915 -23.555 1.00 3.30 C ATOM 764 C ASN A 52 1.700 16.840 -23.269 1.00 32.21 C ATOM 765 O ASN A 52 2.131 16.965 -22.124 1.00 0.33 O ATOM 766 CB ASN A 52 0.991 14.818 -24.509 1.00 62.11 C ATOM 767 CG ASN A 52 2.274 14.163 -23.994 1.00 74.35 C ATOM 768 OD1 ASN A 52 3.354 14.347 -24.530 1.00 73.55 O ATOM 769 ND2 ASN A 52 2.096 13.391 -22.925 1.00 24.25 N ATOM 0 H ASN A 52 -0.761 16.471 -25.124 1.00 33.55 H new ATOM 0 HA ASN A 52 0.140 15.459 -22.638 1.00 3.30 H new ATOM 0 HB2 ASN A 52 0.212 14.063 -24.619 1.00 62.11 H new ATOM 0 HB3 ASN A 52 1.167 15.242 -25.498 1.00 62.11 H new ATOM 0 HD21 ASN A 52 2.892 12.910 -22.505 1.00 24.25 H new ATOM 0 HD22 ASN A 52 1.164 13.280 -22.526 1.00 24.25 H new ATOM 776 N LYS A 53 2.192 17.463 -24.330 1.00 51.52 N ATOM 777 CA LYS A 53 3.319 18.373 -24.206 1.00 63.12 C ATOM 778 C LYS A 53 2.869 19.639 -23.474 1.00 71.04 C ATOM 779 O LYS A 53 3.491 20.048 -22.494 1.00 34.03 O ATOM 780 CB LYS A 53 3.941 18.643 -25.577 1.00 51.14 C ATOM 781 CG LYS A 53 3.943 17.378 -26.438 1.00 72.33 C ATOM 782 CD LYS A 53 2.834 17.431 -27.490 1.00 61.33 C ATOM 783 CE LYS A 53 3.339 18.066 -28.788 1.00 25.12 C ATOM 784 NZ LYS A 53 2.256 18.830 -29.446 1.00 11.21 N1+ ATOM 0 H LYS A 53 1.832 17.356 -25.278 1.00 51.52 H new ATOM 0 HA LYS A 53 4.109 17.922 -23.606 1.00 63.12 H new ATOM 0 HB2 LYS A 53 3.384 19.431 -26.084 1.00 51.14 H new ATOM 0 HB3 LYS A 53 4.962 19.004 -25.452 1.00 51.14 H new ATOM 0 HG2 LYS A 53 4.910 17.269 -26.929 1.00 72.33 H new ATOM 0 HG3 LYS A 53 3.807 16.502 -25.804 1.00 72.33 H new ATOM 0 HD2 LYS A 53 2.470 16.423 -27.691 1.00 61.33 H new ATOM 0 HD3 LYS A 53 1.990 18.003 -27.105 1.00 61.33 H new ATOM 0 HE2 LYS A 53 4.180 18.726 -28.574 1.00 25.12 H new ATOM 0 HE3 LYS A 53 3.706 17.291 -29.461 1.00 25.12 H new ATOM 0 HZ1 LYS A 53 2.615 19.254 -30.325 1.00 11.21 H new ATOM 0 HZ2 LYS A 53 1.466 18.191 -29.668 1.00 11.21 H new ATOM 0 HZ3 LYS A 53 1.925 19.582 -28.809 1.00 11.21 H new ATOM 797 N ASN A 54 1.793 20.224 -23.977 1.00 23.11 N ATOM 798 CA ASN A 54 1.252 21.436 -23.384 1.00 62.43 C ATOM 799 C ASN A 54 1.318 21.324 -21.859 1.00 74.05 C ATOM 800 O ASN A 54 1.578 22.311 -21.172 1.00 24.23 O ATOM 801 CB ASN A 54 -0.211 21.638 -23.781 1.00 40.12 C ATOM 802 CG ASN A 54 -0.320 22.402 -25.102 1.00 73.51 C ATOM 803 OD1 ASN A 54 0.608 22.466 -25.891 1.00 23.41 O ATOM 804 ND2 ASN A 54 -1.504 22.977 -25.297 1.00 32.23 N ATOM 0 H ASN A 54 1.280 19.881 -24.789 1.00 23.11 H new ATOM 0 HA ASN A 54 1.842 22.280 -23.742 1.00 62.43 H new ATOM 0 HB2 ASN A 54 -0.703 20.670 -23.875 1.00 40.12 H new ATOM 0 HB3 ASN A 54 -0.732 22.186 -22.996 1.00 40.12 H new ATOM 0 HD21 ASN A 54 -1.678 23.511 -26.149 1.00 32.23 H new ATOM 0 HD22 ASN A 54 -2.238 22.884 -24.595 1.00 32.23 H new ATOM 811 N LYS A 55 1.078 20.114 -21.376 1.00 72.24 N ATOM 812 CA LYS A 55 1.107 19.861 -19.945 1.00 1.14 C ATOM 813 C LYS A 55 2.312 20.574 -19.329 1.00 53.42 C ATOM 814 O LYS A 55 2.166 21.630 -18.715 1.00 12.22 O ATOM 815 CB LYS A 55 1.073 18.357 -19.666 1.00 73.04 C ATOM 816 CG LYS A 55 0.709 18.078 -18.207 1.00 64.50 C ATOM 817 CD LYS A 55 -0.608 18.759 -17.830 1.00 75.50 C ATOM 818 CE LYS A 55 -0.356 20.035 -17.024 1.00 64.34 C ATOM 819 NZ LYS A 55 -0.402 19.749 -15.572 1.00 3.42 N1+ ATOM 0 H LYS A 55 0.863 19.298 -21.949 1.00 72.24 H new ATOM 0 HA LYS A 55 0.217 20.270 -19.468 1.00 1.14 H new ATOM 0 HB2 LYS A 55 0.348 17.878 -20.323 1.00 73.04 H new ATOM 0 HB3 LYS A 55 2.045 17.920 -19.892 1.00 73.04 H new ATOM 0 HG2 LYS A 55 0.625 17.003 -18.049 1.00 64.50 H new ATOM 0 HG3 LYS A 55 1.506 18.435 -17.555 1.00 64.50 H new ATOM 0 HD2 LYS A 55 -1.168 19.000 -18.733 1.00 75.50 H new ATOM 0 HD3 LYS A 55 -1.223 18.072 -17.248 1.00 75.50 H new ATOM 0 HE2 LYS A 55 0.616 20.453 -17.288 1.00 64.34 H new ATOM 0 HE3 LYS A 55 -1.105 20.786 -17.277 1.00 64.34 H new ATOM 0 HZ1 LYS A 55 0.278 20.360 -15.076 1.00 3.42 H new ATOM 0 HZ2 LYS A 55 -1.360 19.933 -15.212 1.00 3.42 H new ATOM 0 HZ3 LYS A 55 -0.156 18.752 -15.407 1.00 3.42 H new ATOM 832 N GLY A 56 3.475 19.969 -19.516 1.00 41.10 N ATOM 833 CA GLY A 56 4.705 20.532 -18.986 1.00 23.55 C ATOM 834 C GLY A 56 4.783 20.351 -17.468 1.00 73.03 C ATOM 835 O GLY A 56 4.517 21.284 -16.714 1.00 71.12 O ATOM 0 H GLY A 56 3.592 19.094 -20.027 1.00 41.10 H new ATOM 0 HA2 GLY A 56 5.562 20.051 -19.457 1.00 23.55 H new ATOM 0 HA3 GLY A 56 4.759 21.592 -19.232 1.00 23.55 H new ATOM 839 N ILE A 57 5.150 19.142 -17.067 1.00 34.25 N ATOM 840 CA ILE A 57 5.266 18.826 -15.654 1.00 4.20 C ATOM 841 C ILE A 57 6.254 17.671 -15.473 1.00 44.42 C ATOM 842 O ILE A 57 6.785 17.146 -16.451 1.00 10.04 O ATOM 843 CB ILE A 57 3.886 18.556 -15.050 1.00 10.34 C ATOM 844 CG1 ILE A 57 3.191 17.399 -15.770 1.00 23.30 C ATOM 845 CG2 ILE A 57 3.032 19.825 -15.045 1.00 35.13 C ATOM 846 CD1 ILE A 57 3.529 16.060 -15.109 1.00 51.13 C ATOM 0 H ILE A 57 5.371 18.370 -17.696 1.00 34.25 H new ATOM 0 HA ILE A 57 5.667 19.678 -15.105 1.00 4.20 H new ATOM 0 HB ILE A 57 4.020 18.255 -14.011 1.00 10.34 H new ATOM 0 HG12 ILE A 57 2.112 17.553 -15.757 1.00 23.30 H new ATOM 0 HG13 ILE A 57 3.497 17.380 -16.816 1.00 23.30 H new ATOM 0 HG21 ILE A 57 2.057 19.605 -14.611 1.00 35.13 H new ATOM 0 HG22 ILE A 57 3.528 20.595 -14.453 1.00 35.13 H new ATOM 0 HG23 ILE A 57 2.902 20.180 -16.067 1.00 35.13 H new ATOM 0 HD11 ILE A 57 3.022 15.254 -15.640 1.00 51.13 H new ATOM 0 HD12 ILE A 57 4.606 15.898 -15.146 1.00 51.13 H new ATOM 0 HD13 ILE A 57 3.199 16.074 -14.070 1.00 51.13 H new ATOM 858 N ILE A 58 6.470 17.311 -14.217 1.00 31.21 N ATOM 859 CA ILE A 58 7.384 16.228 -13.896 1.00 43.43 C ATOM 860 C ILE A 58 6.645 15.168 -13.078 1.00 60.14 C ATOM 861 O ILE A 58 6.403 15.355 -11.886 1.00 21.20 O ATOM 862 CB ILE A 58 8.638 16.771 -13.208 1.00 45.12 C ATOM 863 CG1 ILE A 58 9.269 17.899 -14.029 1.00 53.42 C ATOM 864 CG2 ILE A 58 9.634 15.648 -12.917 1.00 60.01 C ATOM 865 CD1 ILE A 58 9.896 17.355 -15.315 1.00 11.43 C ATOM 0 H ILE A 58 6.028 17.750 -13.409 1.00 31.21 H new ATOM 0 HA ILE A 58 7.733 15.742 -14.807 1.00 43.43 H new ATOM 0 HB ILE A 58 8.344 17.196 -12.249 1.00 45.12 H new ATOM 0 HG12 ILE A 58 8.511 18.642 -14.276 1.00 53.42 H new ATOM 0 HG13 ILE A 58 10.030 18.405 -13.435 1.00 53.42 H new ATOM 0 HG21 ILE A 58 10.516 16.062 -12.428 1.00 60.01 H new ATOM 0 HG22 ILE A 58 9.169 14.910 -12.263 1.00 60.01 H new ATOM 0 HG23 ILE A 58 9.928 15.171 -13.852 1.00 60.01 H new ATOM 0 HD11 ILE A 58 10.337 18.176 -15.880 1.00 11.43 H new ATOM 0 HD12 ILE A 58 10.670 16.630 -15.064 1.00 11.43 H new ATOM 0 HD13 ILE A 58 9.128 16.871 -15.918 1.00 11.43 H new ATOM 877 N TRP A 59 6.307 14.077 -13.750 1.00 42.03 N ATOM 878 CA TRP A 59 5.601 12.986 -13.100 1.00 53.42 C ATOM 879 C TRP A 59 6.380 12.602 -11.840 1.00 35.14 C ATOM 880 O TRP A 59 7.583 12.839 -11.754 1.00 11.40 O ATOM 881 CB TRP A 59 5.401 11.813 -14.062 1.00 61.43 C ATOM 882 CG TRP A 59 4.697 12.190 -15.366 1.00 4.33 C ATOM 883 CD1 TRP A 59 5.122 11.989 -16.621 1.00 71.34 C ATOM 884 CD2 TRP A 59 3.417 12.844 -15.494 1.00 13.24 C ATOM 885 NE1 TRP A 59 4.213 12.464 -17.544 1.00 20.21 N ATOM 886 CE2 TRP A 59 3.144 13.001 -16.837 1.00 13.32 C ATOM 887 CE3 TRP A 59 2.519 13.288 -14.508 1.00 30.40 C ATOM 888 CZ2 TRP A 59 1.975 13.604 -17.317 1.00 41.54 C ATOM 889 CZ3 TRP A 59 1.355 13.888 -15.002 1.00 15.13 C ATOM 890 CH2 TRP A 59 1.066 14.055 -16.351 1.00 21.05 C ATOM 0 H TRP A 59 6.509 13.925 -14.738 1.00 42.03 H new ATOM 0 HA TRP A 59 4.598 13.296 -12.807 1.00 53.42 H new ATOM 0 HB2 TRP A 59 6.373 11.380 -14.298 1.00 61.43 H new ATOM 0 HB3 TRP A 59 4.821 11.039 -13.559 1.00 61.43 H new ATOM 0 HD1 TRP A 59 6.058 11.515 -16.878 1.00 71.34 H new ATOM 0 HE1 TRP A 59 4.308 12.428 -18.559 1.00 20.21 H new ATOM 0 HE3 TRP A 59 2.712 13.175 -13.451 1.00 30.40 H new ATOM 0 HZ2 TRP A 59 1.784 13.715 -18.374 1.00 41.54 H new ATOM 0 HZ3 TRP A 59 0.631 14.246 -14.285 1.00 15.13 H new ATOM 0 HH2 TRP A 59 0.145 14.530 -16.653 1.00 21.05 H new ATOM 901 N GLY A 60 5.661 12.014 -10.896 1.00 53.12 N ATOM 902 CA GLY A 60 6.270 11.594 -9.644 1.00 65.12 C ATOM 903 C GLY A 60 5.258 10.861 -8.762 1.00 54.35 C ATOM 904 O GLY A 60 4.532 9.988 -9.236 1.00 52.13 O ATOM 0 H GLY A 60 4.663 11.818 -10.972 1.00 53.12 H new ATOM 0 HA2 GLY A 60 7.119 10.942 -9.849 1.00 65.12 H new ATOM 0 HA3 GLY A 60 6.657 12.464 -9.114 1.00 65.12 H new ATOM 908 N GLU A 61 5.244 11.241 -7.492 1.00 1.21 N ATOM 909 CA GLU A 61 4.333 10.630 -6.538 1.00 74.52 C ATOM 910 C GLU A 61 3.008 11.396 -6.504 1.00 21.13 C ATOM 911 O GLU A 61 1.939 10.790 -6.463 1.00 72.12 O ATOM 912 CB GLU A 61 4.963 10.562 -5.146 1.00 44.23 C ATOM 913 CG GLU A 61 6.104 9.543 -5.109 1.00 1.31 C ATOM 914 CD GLU A 61 7.047 9.817 -3.936 1.00 23.15 C ATOM 915 OE1 GLU A 61 6.625 10.395 -2.923 1.00 64.15 O ATOM 916 OE2 GLU A 61 8.258 9.405 -4.102 1.00 43.33 O1- ATOM 0 H GLU A 61 5.849 11.964 -7.102 1.00 1.21 H new ATOM 0 HA GLU A 61 4.131 9.608 -6.860 1.00 74.52 H new ATOM 0 HB2 GLU A 61 5.340 11.545 -4.865 1.00 44.23 H new ATOM 0 HB3 GLU A 61 4.204 10.290 -4.412 1.00 44.23 H new ATOM 0 HG2 GLU A 61 5.695 8.536 -5.023 1.00 1.31 H new ATOM 0 HG3 GLU A 61 6.661 9.582 -6.045 1.00 1.31 H new ATOM 924 N ASP A 62 3.124 12.715 -6.523 1.00 52.34 N ATOM 925 CA ASP A 62 1.949 13.570 -6.495 1.00 22.22 C ATOM 926 C ASP A 62 1.484 13.838 -7.928 1.00 44.15 C ATOM 927 O ASP A 62 0.354 13.513 -8.288 1.00 22.13 O ATOM 928 CB ASP A 62 2.262 14.916 -5.839 1.00 1.41 C ATOM 929 CG ASP A 62 2.079 14.954 -4.321 1.00 52.20 C ATOM 930 OD1 ASP A 62 1.916 13.911 -3.671 1.00 2.01 O ATOM 931 OD2 ASP A 62 2.109 16.133 -3.798 1.00 21.24 O1- ATOM 0 H ASP A 62 4.013 13.213 -6.557 1.00 52.34 H new ATOM 0 HA ASP A 62 1.175 13.061 -5.920 1.00 22.22 H new ATOM 0 HB2 ASP A 62 3.292 15.186 -6.072 1.00 1.41 H new ATOM 0 HB3 ASP A 62 1.624 15.678 -6.286 1.00 1.41 H new ATOM 937 N THR A 63 2.380 14.428 -8.705 1.00 72.52 N ATOM 938 CA THR A 63 2.075 14.744 -10.090 1.00 21.51 C ATOM 939 C THR A 63 1.253 13.621 -10.726 1.00 21.32 C ATOM 940 O THR A 63 0.450 13.866 -11.624 1.00 40.52 O ATOM 941 CB THR A 63 3.396 15.014 -10.815 1.00 0.41 C ATOM 942 OG1 THR A 63 4.293 14.050 -10.272 1.00 52.45 O ATOM 943 CG2 THR A 63 4.013 16.358 -10.425 1.00 31.44 C ATOM 0 H THR A 63 3.317 14.695 -8.402 1.00 72.52 H new ATOM 0 HA THR A 63 1.457 15.639 -10.164 1.00 21.51 H new ATOM 0 HB THR A 63 3.231 14.989 -11.892 1.00 0.41 H new ATOM 0 HG1 THR A 63 5.168 14.465 -10.122 1.00 52.45 H new ATOM 0 HG21 THR A 63 4.948 16.500 -10.967 1.00 31.44 H new ATOM 0 HG22 THR A 63 3.322 17.162 -10.676 1.00 31.44 H new ATOM 0 HG23 THR A 63 4.210 16.371 -9.353 1.00 31.44 H new ATOM 951 N LEU A 64 1.482 12.413 -10.233 1.00 13.22 N ATOM 952 CA LEU A 64 0.771 11.251 -10.741 1.00 63.53 C ATOM 953 C LEU A 64 -0.535 11.076 -9.963 1.00 64.34 C ATOM 954 O LEU A 64 -1.607 10.977 -10.558 1.00 55.10 O ATOM 955 CB LEU A 64 1.674 10.016 -10.710 1.00 44.42 C ATOM 956 CG LEU A 64 2.728 9.929 -11.816 1.00 60.21 C ATOM 957 CD1 LEU A 64 3.795 8.886 -11.476 1.00 64.04 C ATOM 958 CD2 LEU A 64 2.077 9.660 -13.175 1.00 52.11 C ATOM 0 H LEU A 64 2.149 12.213 -9.488 1.00 13.22 H new ATOM 0 HA LEU A 64 0.502 11.397 -11.787 1.00 63.53 H new ATOM 0 HB2 LEU A 64 2.183 9.987 -9.747 1.00 44.42 H new ATOM 0 HB3 LEU A 64 1.044 9.128 -10.765 1.00 44.42 H new ATOM 0 HG LEU A 64 3.230 10.894 -11.885 1.00 60.21 H new ATOM 0 HD11 LEU A 64 4.532 8.844 -12.278 1.00 64.04 H new ATOM 0 HD12 LEU A 64 4.289 9.161 -10.544 1.00 64.04 H new ATOM 0 HD13 LEU A 64 3.326 7.909 -11.363 1.00 64.04 H new ATOM 0 HD21 LEU A 64 2.848 9.603 -13.943 1.00 52.11 H new ATOM 0 HD22 LEU A 64 1.532 8.717 -13.137 1.00 52.11 H new ATOM 0 HD23 LEU A 64 1.386 10.469 -13.414 1.00 52.11 H new ATOM 970 N MET A 65 -0.402 11.046 -8.645 1.00 33.24 N ATOM 971 CA MET A 65 -1.559 10.885 -7.780 1.00 54.13 C ATOM 972 C MET A 65 -2.631 11.929 -8.099 1.00 25.33 C ATOM 973 O MET A 65 -3.798 11.750 -7.755 1.00 22.02 O ATOM 974 CB MET A 65 -1.128 11.028 -6.319 1.00 42.51 C ATOM 975 CG MET A 65 -0.750 9.670 -5.724 1.00 50.02 C ATOM 976 SD MET A 65 -0.934 9.709 -3.949 1.00 13.13 S ATOM 977 CE MET A 65 -2.694 9.444 -3.813 1.00 15.21 C ATOM 0 H MET A 65 0.489 11.130 -8.155 1.00 33.24 H new ATOM 0 HA MET A 65 -1.980 9.894 -7.949 1.00 54.13 H new ATOM 0 HB2 MET A 65 -0.279 11.708 -6.251 1.00 42.51 H new ATOM 0 HB3 MET A 65 -1.938 11.471 -5.739 1.00 42.51 H new ATOM 0 HG2 MET A 65 -1.383 8.890 -6.146 1.00 50.02 H new ATOM 0 HG3 MET A 65 0.279 9.423 -5.986 1.00 50.02 H new ATOM 0 HE1 MET A 65 -3.089 10.041 -2.991 1.00 15.21 H new ATOM 0 HE2 MET A 65 -3.180 9.741 -4.743 1.00 15.21 H new ATOM 0 HE3 MET A 65 -2.889 8.389 -3.622 1.00 15.21 H new ATOM 987 N GLU A 66 -2.197 12.996 -8.755 1.00 74.14 N ATOM 988 CA GLU A 66 -3.106 14.068 -9.125 1.00 73.33 C ATOM 989 C GLU A 66 -3.518 13.932 -10.592 1.00 2.43 C ATOM 990 O GLU A 66 -4.521 14.504 -11.014 1.00 72.31 O ATOM 991 CB GLU A 66 -2.476 15.437 -8.857 1.00 53.20 C ATOM 992 CG GLU A 66 -3.549 16.481 -8.544 1.00 12.14 C ATOM 993 CD GLU A 66 -3.998 16.386 -7.084 1.00 45.11 C ATOM 994 OE1 GLU A 66 -4.889 15.587 -6.760 1.00 41.11 O ATOM 995 OE2 GLU A 66 -3.384 17.179 -6.272 1.00 22.52 O1- ATOM 0 H GLU A 66 -1.228 13.141 -9.040 1.00 74.14 H new ATOM 0 HA GLU A 66 -4.001 13.989 -8.508 1.00 73.33 H new ATOM 0 HB2 GLU A 66 -1.780 15.364 -8.022 1.00 53.20 H new ATOM 0 HB3 GLU A 66 -1.899 15.752 -9.726 1.00 53.20 H new ATOM 0 HG2 GLU A 66 -3.159 17.479 -8.744 1.00 12.14 H new ATOM 0 HG3 GLU A 66 -4.406 16.335 -9.202 1.00 12.14 H new ATOM 1003 N TYR A 67 -2.723 13.169 -11.328 1.00 23.00 N ATOM 1004 CA TYR A 67 -2.993 12.950 -12.739 1.00 3.25 C ATOM 1005 C TYR A 67 -3.700 11.611 -12.961 1.00 54.14 C ATOM 1006 O TYR A 67 -4.852 11.577 -13.390 1.00 20.25 O ATOM 1007 CB TYR A 67 -1.628 12.914 -13.429 1.00 71.14 C ATOM 1008 CG TYR A 67 -1.695 12.586 -14.922 1.00 24.31 C ATOM 1009 CD1 TYR A 67 -2.840 12.866 -15.640 1.00 40.42 C ATOM 1010 CD2 TYR A 67 -0.609 12.012 -15.552 1.00 64.21 C ATOM 1011 CE1 TYR A 67 -2.902 12.558 -17.045 1.00 20.05 C ATOM 1012 CE2 TYR A 67 -0.670 11.705 -16.957 1.00 44.34 C ATOM 1013 CZ TYR A 67 -1.814 11.992 -17.634 1.00 2.03 C ATOM 1014 OH TYR A 67 -1.872 11.701 -18.961 1.00 60.35 O ATOM 0 H TYR A 67 -1.892 12.695 -10.974 1.00 23.00 H new ATOM 0 HA TYR A 67 -3.639 13.735 -13.132 1.00 3.25 H new ATOM 0 HB2 TYR A 67 -1.142 13.881 -13.301 1.00 71.14 H new ATOM 0 HB3 TYR A 67 -1.001 12.174 -12.932 1.00 71.14 H new ATOM 0 HD1 TYR A 67 -3.689 13.316 -15.148 1.00 40.42 H new ATOM 0 HD2 TYR A 67 0.287 11.793 -14.990 1.00 64.21 H new ATOM 0 HE1 TYR A 67 -3.792 12.771 -17.618 1.00 20.05 H new ATOM 0 HE2 TYR A 67 0.173 11.257 -17.462 1.00 44.34 H new ATOM 0 HH TYR A 67 -1.023 11.302 -19.246 1.00 60.35 H new ATOM 1024 N LEU A 68 -2.980 10.542 -12.658 1.00 23.24 N ATOM 1025 CA LEU A 68 -3.523 9.203 -12.819 1.00 1.14 C ATOM 1026 C LEU A 68 -4.961 9.176 -12.297 1.00 70.03 C ATOM 1027 O LEU A 68 -5.862 8.687 -12.977 1.00 54.01 O ATOM 1028 CB LEU A 68 -2.608 8.171 -12.157 1.00 71.15 C ATOM 1029 CG LEU A 68 -1.113 8.312 -12.452 1.00 40.05 C ATOM 1030 CD1 LEU A 68 -0.382 6.988 -12.225 1.00 22.43 C ATOM 1031 CD2 LEU A 68 -0.882 8.861 -13.861 1.00 54.34 C ATOM 0 H LEU A 68 -2.025 10.575 -12.302 1.00 23.24 H new ATOM 0 HA LEU A 68 -3.561 8.930 -13.874 1.00 1.14 H new ATOM 0 HB2 LEU A 68 -2.752 8.226 -11.078 1.00 71.15 H new ATOM 0 HB3 LEU A 68 -2.928 7.177 -12.471 1.00 71.15 H new ATOM 0 HG LEU A 68 -0.693 9.035 -11.752 1.00 40.05 H new ATOM 0 HD11 LEU A 68 0.679 7.116 -12.442 1.00 22.43 H new ATOM 0 HD12 LEU A 68 -0.505 6.677 -11.187 1.00 22.43 H new ATOM 0 HD13 LEU A 68 -0.797 6.225 -12.884 1.00 22.43 H new ATOM 0 HD21 LEU A 68 0.188 8.952 -14.045 1.00 54.34 H new ATOM 0 HD22 LEU A 68 -1.320 8.182 -14.592 1.00 54.34 H new ATOM 0 HD23 LEU A 68 -1.350 9.841 -13.951 1.00 54.34 H new ATOM 1043 N GLU A 69 -5.131 9.706 -11.094 1.00 20.13 N ATOM 1044 CA GLU A 69 -6.443 9.748 -10.474 1.00 44.21 C ATOM 1045 C GLU A 69 -7.492 10.228 -11.480 1.00 21.20 C ATOM 1046 O GLU A 69 -8.581 9.663 -11.564 1.00 32.34 O ATOM 1047 CB GLU A 69 -6.433 10.636 -9.228 1.00 23.33 C ATOM 1048 CG GLU A 69 -6.663 12.103 -9.599 1.00 33.31 C ATOM 1049 CD GLU A 69 -6.634 12.993 -8.355 1.00 75.21 C ATOM 1050 OE1 GLU A 69 -6.716 14.225 -8.471 1.00 44.32 O ATOM 1051 OE2 GLU A 69 -6.522 12.363 -7.235 1.00 54.32 O1- ATOM 0 H GLU A 69 -4.381 10.110 -10.533 1.00 20.13 H new ATOM 0 HA GLU A 69 -6.706 8.738 -10.159 1.00 44.21 H new ATOM 0 HB2 GLU A 69 -7.208 10.306 -8.536 1.00 23.33 H new ATOM 0 HB3 GLU A 69 -5.479 10.533 -8.711 1.00 23.33 H new ATOM 0 HG2 GLU A 69 -5.896 12.429 -10.302 1.00 33.31 H new ATOM 0 HG3 GLU A 69 -7.623 12.208 -10.104 1.00 33.31 H new ATOM 1059 N ASN A 70 -7.125 11.265 -12.219 1.00 12.20 N ATOM 1060 CA ASN A 70 -8.020 11.827 -13.216 1.00 10.35 C ATOM 1061 C ASN A 70 -7.194 12.492 -14.319 1.00 50.13 C ATOM 1062 O ASN A 70 -6.880 13.678 -14.235 1.00 4.21 O ATOM 1063 CB ASN A 70 -8.932 12.891 -12.602 1.00 54.31 C ATOM 1064 CG ASN A 70 -10.228 12.268 -12.083 1.00 33.25 C ATOM 1065 OD1 ASN A 70 -10.231 11.390 -11.235 1.00 62.01 O ATOM 1066 ND2 ASN A 70 -11.329 12.770 -12.636 1.00 64.01 N ATOM 0 H ASN A 70 -6.220 11.730 -12.147 1.00 12.20 H new ATOM 0 HA ASN A 70 -8.630 11.017 -13.616 1.00 10.35 H new ATOM 0 HB2 ASN A 70 -8.413 13.393 -11.785 1.00 54.31 H new ATOM 0 HB3 ASN A 70 -9.163 13.652 -13.348 1.00 54.31 H new ATOM 0 HD21 ASN A 70 -12.245 12.421 -12.355 1.00 64.01 H new ATOM 0 HD22 ASN A 70 -11.257 13.504 -13.341 1.00 64.01 H new ATOM 1073 N PRO A 71 -6.856 11.678 -15.355 1.00 2.03 N ATOM 1074 CA PRO A 71 -6.074 12.174 -16.473 1.00 62.33 C ATOM 1075 C PRO A 71 -6.927 13.049 -17.394 1.00 21.13 C ATOM 1076 O PRO A 71 -6.547 14.176 -17.712 1.00 13.34 O ATOM 1077 CB PRO A 71 -5.541 10.930 -17.164 1.00 51.50 C ATOM 1078 CG PRO A 71 -6.417 9.782 -16.690 1.00 20.32 C ATOM 1079 CD PRO A 71 -7.211 10.267 -15.489 1.00 43.43 C ATOM 0 HA PRO A 71 -5.255 12.821 -16.158 1.00 62.33 H new ATOM 0 HB2 PRO A 71 -5.588 11.035 -18.248 1.00 51.50 H new ATOM 0 HB3 PRO A 71 -4.496 10.757 -16.905 1.00 51.50 H new ATOM 0 HG2 PRO A 71 -7.088 9.460 -17.486 1.00 20.32 H new ATOM 0 HG3 PRO A 71 -5.805 8.921 -16.421 1.00 20.32 H new ATOM 0 HD2 PRO A 71 -8.282 10.141 -15.646 1.00 43.43 H new ATOM 0 HD3 PRO A 71 -6.952 9.707 -14.591 1.00 43.43 H new ATOM 1087 N LYS A 72 -8.062 12.499 -17.797 1.00 52.22 N ATOM 1088 CA LYS A 72 -8.972 13.215 -18.675 1.00 43.01 C ATOM 1089 C LYS A 72 -9.038 14.682 -18.246 1.00 54.30 C ATOM 1090 O LYS A 72 -9.256 15.565 -19.073 1.00 52.53 O ATOM 1091 CB LYS A 72 -10.335 12.524 -18.713 1.00 3.34 C ATOM 1092 CG LYS A 72 -10.838 12.223 -17.299 1.00 13.21 C ATOM 1093 CD LYS A 72 -12.312 11.814 -17.316 1.00 21.22 C ATOM 1094 CE LYS A 72 -12.808 11.490 -15.905 1.00 74.53 C ATOM 1095 NZ LYS A 72 -14.061 10.704 -15.965 1.00 65.43 N1+ ATOM 0 H LYS A 72 -8.373 11.565 -17.532 1.00 52.22 H new ATOM 0 HA LYS A 72 -8.604 13.198 -19.701 1.00 43.01 H new ATOM 0 HB2 LYS A 72 -11.054 13.159 -19.231 1.00 3.34 H new ATOM 0 HB3 LYS A 72 -10.261 11.597 -19.281 1.00 3.34 H new ATOM 0 HG2 LYS A 72 -10.241 11.424 -16.859 1.00 13.21 H new ATOM 0 HG3 LYS A 72 -10.708 13.102 -16.668 1.00 13.21 H new ATOM 0 HD2 LYS A 72 -12.912 12.619 -17.740 1.00 21.22 H new ATOM 0 HD3 LYS A 72 -12.444 10.945 -17.960 1.00 21.22 H new ATOM 0 HE2 LYS A 72 -12.045 10.929 -15.365 1.00 74.53 H new ATOM 0 HE3 LYS A 72 -12.977 12.414 -15.351 1.00 74.53 H new ATOM 0 HZ1 LYS A 72 -14.136 10.106 -15.118 1.00 65.43 H new ATOM 0 HZ2 LYS A 72 -14.875 11.350 -16.006 1.00 65.43 H new ATOM 0 HZ3 LYS A 72 -14.053 10.103 -16.814 1.00 65.43 H new ATOM 1108 N LYS A 73 -8.845 14.897 -16.952 1.00 54.43 N ATOM 1109 CA LYS A 73 -8.879 16.241 -16.403 1.00 14.10 C ATOM 1110 C LYS A 73 -7.491 16.873 -16.524 1.00 65.14 C ATOM 1111 O LYS A 73 -7.307 17.837 -17.266 1.00 73.42 O ATOM 1112 CB LYS A 73 -9.424 16.222 -14.974 1.00 44.31 C ATOM 1113 CG LYS A 73 -10.949 16.336 -14.965 1.00 44.45 C ATOM 1114 CD LYS A 73 -11.590 15.166 -15.716 1.00 21.13 C ATOM 1115 CE LYS A 73 -13.097 15.378 -15.877 1.00 32.30 C ATOM 1116 NZ LYS A 73 -13.582 14.731 -17.118 1.00 11.51 N1+ ATOM 0 H LYS A 73 -8.665 14.162 -16.268 1.00 54.43 H new ATOM 0 HA LYS A 73 -9.565 16.868 -16.973 1.00 14.10 H new ATOM 0 HB2 LYS A 73 -9.122 15.299 -14.479 1.00 44.31 H new ATOM 0 HB3 LYS A 73 -8.991 17.045 -14.405 1.00 44.31 H new ATOM 0 HG2 LYS A 73 -11.310 16.354 -13.937 1.00 44.45 H new ATOM 0 HG3 LYS A 73 -11.250 17.277 -15.425 1.00 44.45 H new ATOM 0 HD2 LYS A 73 -11.127 15.061 -16.697 1.00 21.13 H new ATOM 0 HD3 LYS A 73 -11.405 14.237 -15.176 1.00 21.13 H new ATOM 0 HE2 LYS A 73 -13.622 14.966 -15.016 1.00 32.30 H new ATOM 0 HE3 LYS A 73 -13.319 16.445 -15.905 1.00 32.30 H new ATOM 0 HZ1 LYS A 73 -14.179 15.398 -17.647 1.00 11.51 H new ATOM 0 HZ2 LYS A 73 -12.770 14.453 -17.705 1.00 11.51 H new ATOM 0 HZ3 LYS A 73 -14.138 13.887 -16.875 1.00 11.51 H new ATOM 1129 N TYR A 74 -6.551 16.306 -15.784 1.00 0.35 N ATOM 1130 CA TYR A 74 -5.185 16.803 -15.799 1.00 13.35 C ATOM 1131 C TYR A 74 -4.773 17.229 -17.209 1.00 21.32 C ATOM 1132 O TYR A 74 -4.368 18.371 -17.422 1.00 50.24 O ATOM 1133 CB TYR A 74 -4.306 15.630 -15.357 1.00 41.13 C ATOM 1134 CG TYR A 74 -3.007 16.052 -14.668 1.00 75.44 C ATOM 1135 CD1 TYR A 74 -1.905 16.395 -15.425 1.00 25.24 C ATOM 1136 CD2 TYR A 74 -2.936 16.091 -13.291 1.00 53.12 C ATOM 1137 CE1 TYR A 74 -0.682 16.793 -14.778 1.00 2.04 C ATOM 1138 CE2 TYR A 74 -1.713 16.488 -12.643 1.00 44.42 C ATOM 1139 CZ TYR A 74 -0.646 16.820 -13.419 1.00 54.11 C ATOM 1140 OH TYR A 74 0.509 17.195 -12.808 1.00 35.30 O ATOM 0 H TYR A 74 -6.707 15.507 -15.170 1.00 0.35 H new ATOM 0 HA TYR A 74 -5.084 17.671 -15.147 1.00 13.35 H new ATOM 0 HB2 TYR A 74 -4.877 14.997 -14.677 1.00 41.13 H new ATOM 0 HB3 TYR A 74 -4.062 15.023 -16.229 1.00 41.13 H new ATOM 0 HD1 TYR A 74 -1.960 16.365 -16.503 1.00 25.24 H new ATOM 0 HD2 TYR A 74 -3.798 15.824 -12.698 1.00 53.12 H new ATOM 0 HE1 TYR A 74 0.187 17.064 -15.359 1.00 2.04 H new ATOM 0 HE2 TYR A 74 -1.644 16.521 -11.566 1.00 44.42 H new ATOM 0 HH TYR A 74 0.388 17.169 -11.836 1.00 35.30 H new ATOM 1150 N ILE A 75 -4.889 16.290 -18.135 1.00 53.34 N ATOM 1151 CA ILE A 75 -4.535 16.555 -19.520 1.00 45.04 C ATOM 1152 C ILE A 75 -5.785 16.443 -20.394 1.00 31.42 C ATOM 1153 O ILE A 75 -6.090 15.371 -20.913 1.00 1.32 O ATOM 1154 CB ILE A 75 -3.390 15.642 -19.964 1.00 12.32 C ATOM 1155 CG1 ILE A 75 -2.288 15.590 -18.904 1.00 74.51 C ATOM 1156 CG2 ILE A 75 -2.852 16.063 -21.331 1.00 35.11 C ATOM 1157 CD1 ILE A 75 -1.124 14.710 -19.366 1.00 44.21 C ATOM 0 H ILE A 75 -5.223 15.343 -17.954 1.00 53.34 H new ATOM 0 HA ILE A 75 -4.161 17.573 -19.629 1.00 45.04 H new ATOM 0 HB ILE A 75 -3.781 14.630 -20.071 1.00 12.32 H new ATOM 0 HG12 ILE A 75 -1.928 16.598 -18.699 1.00 74.51 H new ATOM 0 HG13 ILE A 75 -2.694 15.201 -17.970 1.00 74.51 H new ATOM 0 HG21 ILE A 75 -2.039 15.398 -21.623 1.00 35.11 H new ATOM 0 HG22 ILE A 75 -3.651 16.005 -22.070 1.00 35.11 H new ATOM 0 HG23 ILE A 75 -2.481 17.087 -21.277 1.00 35.11 H new ATOM 0 HD11 ILE A 75 -0.354 14.690 -18.594 1.00 44.21 H new ATOM 0 HD12 ILE A 75 -1.483 13.697 -19.547 1.00 44.21 H new ATOM 0 HD13 ILE A 75 -0.704 15.116 -20.287 1.00 44.21 H new ATOM 1169 N PRO A 76 -6.495 17.595 -20.531 1.00 61.33 N ATOM 1170 CA PRO A 76 -7.706 17.636 -21.333 1.00 71.30 C ATOM 1171 C PRO A 76 -7.375 17.620 -22.827 1.00 33.42 C ATOM 1172 O PRO A 76 -6.900 18.615 -23.372 1.00 1.33 O ATOM 1173 CB PRO A 76 -8.424 18.904 -20.898 1.00 24.03 C ATOM 1174 CG PRO A 76 -7.373 19.762 -20.210 1.00 10.34 C ATOM 1175 CD PRO A 76 -6.165 18.883 -19.930 1.00 71.25 C ATOM 0 HA PRO A 76 -8.340 16.763 -21.181 1.00 71.30 H new ATOM 0 HB2 PRO A 76 -8.853 19.424 -21.755 1.00 24.03 H new ATOM 0 HB3 PRO A 76 -9.246 18.675 -20.220 1.00 24.03 H new ATOM 0 HG2 PRO A 76 -7.094 20.604 -20.843 1.00 10.34 H new ATOM 0 HG3 PRO A 76 -7.767 20.177 -19.282 1.00 10.34 H new ATOM 0 HD2 PRO A 76 -5.260 19.304 -20.368 1.00 71.25 H new ATOM 0 HD3 PRO A 76 -5.986 18.786 -18.859 1.00 71.25 H new ATOM 1183 N GLY A 77 -7.640 16.479 -23.447 1.00 72.13 N ATOM 1184 CA GLY A 77 -7.376 16.321 -24.867 1.00 33.14 C ATOM 1185 C GLY A 77 -6.579 15.044 -25.137 1.00 34.12 C ATOM 1186 O GLY A 77 -6.384 14.662 -26.290 1.00 30.24 O ATOM 0 H GLY A 77 -8.035 15.656 -22.992 1.00 72.13 H new ATOM 0 HA2 GLY A 77 -8.318 16.289 -25.414 1.00 33.14 H new ATOM 0 HA3 GLY A 77 -6.822 17.184 -25.236 1.00 33.14 H new ATOM 1190 N THR A 78 -6.138 14.419 -24.055 1.00 72.54 N ATOM 1191 CA THR A 78 -5.366 13.193 -24.161 1.00 22.21 C ATOM 1192 C THR A 78 -6.222 12.073 -24.756 1.00 2.52 C ATOM 1193 O THR A 78 -7.436 12.050 -24.569 1.00 4.33 O ATOM 1194 CB THR A 78 -4.811 12.863 -22.774 1.00 14.31 C ATOM 1195 OG1 THR A 78 -4.277 11.549 -22.917 1.00 2.22 O ATOM 1196 CG2 THR A 78 -5.914 12.704 -21.725 1.00 64.23 C ATOM 0 H THR A 78 -6.301 14.739 -23.100 1.00 72.54 H new ATOM 0 HA THR A 78 -4.525 13.313 -24.844 1.00 22.21 H new ATOM 0 HB THR A 78 -4.123 13.649 -22.462 1.00 14.31 H new ATOM 0 HG1 THR A 78 -3.757 11.319 -22.119 1.00 2.22 H new ATOM 0 HG21 THR A 78 -5.466 12.470 -20.759 1.00 64.23 H new ATOM 0 HG22 THR A 78 -6.479 13.633 -21.648 1.00 64.23 H new ATOM 0 HG23 THR A 78 -6.583 11.895 -22.020 1.00 64.23 H new ATOM 1204 N LYS A 79 -5.553 11.173 -25.462 1.00 44.33 N ATOM 1205 CA LYS A 79 -6.237 10.054 -26.086 1.00 42.52 C ATOM 1206 C LYS A 79 -6.341 8.902 -25.084 1.00 41.14 C ATOM 1207 O LYS A 79 -7.191 8.025 -25.226 1.00 0.42 O ATOM 1208 CB LYS A 79 -5.548 9.668 -27.397 1.00 10.55 C ATOM 1209 CG LYS A 79 -4.919 10.891 -28.066 1.00 62.22 C ATOM 1210 CD LYS A 79 -4.495 10.574 -29.501 1.00 44.22 C ATOM 1211 CE LYS A 79 -3.024 10.155 -29.559 1.00 74.45 C ATOM 1212 NZ LYS A 79 -2.890 8.703 -29.308 1.00 73.00 N1+ ATOM 0 H LYS A 79 -4.545 11.196 -25.615 1.00 44.33 H new ATOM 0 HA LYS A 79 -7.255 10.334 -26.358 1.00 42.52 H new ATOM 0 HB2 LYS A 79 -4.779 8.920 -27.202 1.00 10.55 H new ATOM 0 HB3 LYS A 79 -6.272 9.212 -28.072 1.00 10.55 H new ATOM 0 HG2 LYS A 79 -5.632 11.716 -28.067 1.00 62.22 H new ATOM 0 HG3 LYS A 79 -4.053 11.219 -27.491 1.00 62.22 H new ATOM 0 HD2 LYS A 79 -5.120 9.776 -29.901 1.00 44.22 H new ATOM 0 HD3 LYS A 79 -4.653 11.449 -30.132 1.00 44.22 H new ATOM 0 HE2 LYS A 79 -2.608 10.401 -30.536 1.00 74.45 H new ATOM 0 HE3 LYS A 79 -2.451 10.713 -28.818 1.00 74.45 H new ATOM 0 HZ1 LYS A 79 -2.216 8.546 -28.532 1.00 73.00 H new ATOM 0 HZ2 LYS A 79 -3.817 8.309 -29.048 1.00 73.00 H new ATOM 0 HZ3 LYS A 79 -2.543 8.233 -30.168 1.00 73.00 H new ATOM 1225 N MET A 80 -5.463 8.941 -24.093 1.00 72.20 N ATOM 1226 CA MET A 80 -5.444 7.912 -23.067 1.00 50.41 C ATOM 1227 C MET A 80 -6.852 7.652 -22.527 1.00 72.11 C ATOM 1228 O MET A 80 -7.305 8.336 -21.610 1.00 14.12 O ATOM 1229 CB MET A 80 -4.530 8.349 -21.921 1.00 3.55 C ATOM 1230 CG MET A 80 -4.716 7.450 -20.697 1.00 30.15 C ATOM 1231 SD MET A 80 -3.369 7.692 -19.552 1.00 1.13 S ATOM 1232 CE MET A 80 -4.253 8.420 -18.183 1.00 62.42 C ATOM 0 H MET A 80 -4.759 9.670 -23.978 1.00 72.20 H new ATOM 0 HA MET A 80 -5.068 6.990 -23.510 1.00 50.41 H new ATOM 0 HB2 MET A 80 -3.490 8.315 -22.247 1.00 3.55 H new ATOM 0 HB3 MET A 80 -4.746 9.383 -21.653 1.00 3.55 H new ATOM 0 HG2 MET A 80 -5.664 7.677 -20.209 1.00 30.15 H new ATOM 0 HG3 MET A 80 -4.759 6.406 -21.006 1.00 30.15 H new ATOM 0 HE1 MET A 80 -3.641 9.198 -17.727 1.00 62.42 H new ATOM 0 HE2 MET A 80 -5.185 8.856 -18.542 1.00 62.42 H new ATOM 0 HE3 MET A 80 -4.474 7.651 -17.443 1.00 62.42 H new ATOM 1242 N ILE A 81 -7.505 6.661 -23.117 1.00 13.21 N ATOM 1243 CA ILE A 81 -8.851 6.302 -22.707 1.00 23.44 C ATOM 1244 C ILE A 81 -8.815 5.752 -21.279 1.00 45.24 C ATOM 1245 O ILE A 81 -8.671 4.547 -21.078 1.00 72.32 O ATOM 1246 CB ILE A 81 -9.482 5.344 -23.719 1.00 15.12 C ATOM 1247 CG1 ILE A 81 -9.458 5.941 -25.127 1.00 34.32 C ATOM 1248 CG2 ILE A 81 -10.895 4.946 -23.290 1.00 72.31 C ATOM 1249 CD1 ILE A 81 -10.035 7.357 -25.133 1.00 54.13 C ATOM 0 H ILE A 81 -7.126 6.095 -23.876 1.00 13.21 H new ATOM 0 HA ILE A 81 -9.493 7.183 -22.694 1.00 23.44 H new ATOM 0 HB ILE A 81 -8.885 4.433 -23.745 1.00 15.12 H new ATOM 0 HG12 ILE A 81 -8.434 5.960 -25.500 1.00 34.32 H new ATOM 0 HG13 ILE A 81 -10.032 5.308 -25.804 1.00 34.32 H new ATOM 0 HG21 ILE A 81 -11.321 4.265 -24.027 1.00 72.31 H new ATOM 0 HG22 ILE A 81 -10.855 4.452 -22.319 1.00 72.31 H new ATOM 0 HG23 ILE A 81 -11.518 5.838 -23.218 1.00 72.31 H new ATOM 0 HD11 ILE A 81 -10.006 7.758 -26.146 1.00 54.13 H new ATOM 0 HD12 ILE A 81 -11.067 7.331 -24.783 1.00 54.13 H new ATOM 0 HD13 ILE A 81 -9.444 7.993 -24.474 1.00 54.13 H new ATOM 1261 N PHE A 82 -8.947 6.662 -20.326 1.00 75.01 N ATOM 1262 CA PHE A 82 -8.931 6.283 -18.923 1.00 45.32 C ATOM 1263 C PHE A 82 -9.818 7.214 -18.094 1.00 15.33 C ATOM 1264 O PHE A 82 -9.864 8.418 -18.342 1.00 42.22 O ATOM 1265 CB PHE A 82 -7.485 6.412 -18.440 1.00 14.43 C ATOM 1266 CG PHE A 82 -7.127 5.473 -17.288 1.00 45.43 C ATOM 1267 CD1 PHE A 82 -7.281 4.130 -17.433 1.00 11.34 C ATOM 1268 CD2 PHE A 82 -6.653 5.981 -16.119 1.00 71.04 C ATOM 1269 CE1 PHE A 82 -6.949 3.257 -16.363 1.00 13.13 C ATOM 1270 CE2 PHE A 82 -6.321 5.109 -15.048 1.00 71.25 C ATOM 1271 CZ PHE A 82 -6.476 3.765 -15.193 1.00 22.42 C ATOM 0 H PHE A 82 -9.065 7.661 -20.497 1.00 75.01 H new ATOM 0 HA PHE A 82 -9.309 5.267 -18.808 1.00 45.32 H new ATOM 0 HB2 PHE A 82 -6.815 6.216 -19.277 1.00 14.43 H new ATOM 0 HB3 PHE A 82 -7.309 7.440 -18.125 1.00 14.43 H new ATOM 0 HD1 PHE A 82 -7.656 3.727 -18.362 1.00 11.34 H new ATOM 0 HD2 PHE A 82 -6.529 7.048 -16.005 1.00 71.04 H new ATOM 0 HE1 PHE A 82 -7.072 2.190 -16.478 1.00 13.13 H new ATOM 0 HE2 PHE A 82 -5.946 5.513 -14.119 1.00 71.25 H new ATOM 0 HZ PHE A 82 -6.223 3.101 -14.379 1.00 22.42 H new ATOM 1281 N VAL A 83 -10.501 6.621 -17.125 1.00 43.41 N ATOM 1282 CA VAL A 83 -11.384 7.382 -16.258 1.00 44.03 C ATOM 1283 C VAL A 83 -10.607 7.842 -15.022 1.00 4.21 C ATOM 1284 O VAL A 83 -11.021 8.774 -14.335 1.00 54.11 O ATOM 1285 CB VAL A 83 -12.620 6.551 -15.910 1.00 25.21 C ATOM 1286 CG1 VAL A 83 -12.260 5.395 -14.975 1.00 45.31 C ATOM 1287 CG2 VAL A 83 -13.717 7.427 -15.301 1.00 35.41 C ATOM 0 H VAL A 83 -10.460 5.622 -16.922 1.00 43.41 H new ATOM 0 HA VAL A 83 -11.742 8.276 -16.769 1.00 44.03 H new ATOM 0 HB VAL A 83 -13.007 6.125 -16.836 1.00 25.21 H new ATOM 0 HG11 VAL A 83 -13.157 4.821 -14.744 1.00 45.31 H new ATOM 0 HG12 VAL A 83 -11.530 4.748 -15.461 1.00 45.31 H new ATOM 0 HG13 VAL A 83 -11.836 5.792 -14.053 1.00 45.31 H new ATOM 0 HG21 VAL A 83 -14.584 6.811 -15.063 1.00 35.41 H new ATOM 0 HG22 VAL A 83 -13.344 7.896 -14.391 1.00 35.41 H new ATOM 0 HG23 VAL A 83 -14.005 8.198 -16.015 1.00 35.41 H new ATOM 1297 N GLY A 84 -9.493 7.167 -14.779 1.00 4.04 N ATOM 1298 CA GLY A 84 -8.654 7.494 -13.638 1.00 52.24 C ATOM 1299 C GLY A 84 -9.135 6.772 -12.378 1.00 70.24 C ATOM 1300 O GLY A 84 -10.231 6.213 -12.359 1.00 15.11 O ATOM 0 H GLY A 84 -9.152 6.395 -15.352 1.00 4.04 H new ATOM 0 HA2 GLY A 84 -7.622 7.215 -13.849 1.00 52.24 H new ATOM 0 HA3 GLY A 84 -8.665 8.571 -13.471 1.00 52.24 H new ATOM 1304 N ILE A 85 -8.292 6.807 -11.356 1.00 33.41 N ATOM 1305 CA ILE A 85 -8.618 6.164 -10.095 1.00 44.34 C ATOM 1306 C ILE A 85 -9.059 7.224 -9.084 1.00 34.42 C ATOM 1307 O ILE A 85 -8.530 8.335 -9.074 1.00 13.31 O ATOM 1308 CB ILE A 85 -7.447 5.305 -9.614 1.00 61.04 C ATOM 1309 CG1 ILE A 85 -6.963 4.367 -10.721 1.00 21.04 C ATOM 1310 CG2 ILE A 85 -7.812 4.545 -8.337 1.00 53.31 C ATOM 1311 CD1 ILE A 85 -5.878 5.033 -11.570 1.00 62.43 C ATOM 0 H ILE A 85 -7.384 7.271 -11.376 1.00 33.41 H new ATOM 0 HA ILE A 85 -9.456 5.478 -10.223 1.00 44.34 H new ATOM 0 HB ILE A 85 -6.617 5.967 -9.368 1.00 61.04 H new ATOM 0 HG12 ILE A 85 -6.573 3.450 -10.280 1.00 21.04 H new ATOM 0 HG13 ILE A 85 -7.803 4.084 -11.355 1.00 21.04 H new ATOM 0 HG21 ILE A 85 -6.962 3.942 -8.017 1.00 53.31 H new ATOM 0 HG22 ILE A 85 -8.069 5.256 -7.552 1.00 53.31 H new ATOM 0 HG23 ILE A 85 -8.665 3.895 -8.532 1.00 53.31 H new ATOM 0 HD11 ILE A 85 -5.552 4.344 -12.349 1.00 62.43 H new ATOM 0 HD12 ILE A 85 -6.279 5.937 -12.029 1.00 62.43 H new ATOM 0 HD13 ILE A 85 -5.029 5.293 -10.937 1.00 62.43 H new ATOM 1323 N LYS A 86 -10.023 6.845 -8.259 1.00 65.04 N ATOM 1324 CA LYS A 86 -10.540 7.749 -7.246 1.00 4.54 C ATOM 1325 C LYS A 86 -10.020 7.323 -5.873 1.00 23.40 C ATOM 1326 O LYS A 86 -9.546 8.154 -5.099 1.00 42.24 O ATOM 1327 CB LYS A 86 -12.066 7.827 -7.328 1.00 51.42 C ATOM 1328 CG LYS A 86 -12.513 8.484 -8.636 1.00 2.32 C ATOM 1329 CD LYS A 86 -12.628 7.449 -9.758 1.00 43.02 C ATOM 1330 CE LYS A 86 -14.029 6.837 -9.797 1.00 63.30 C ATOM 1331 NZ LYS A 86 -14.049 5.643 -10.672 1.00 13.13 N1+ ATOM 0 H LYS A 86 -10.460 5.923 -8.271 1.00 65.04 H new ATOM 0 HA LYS A 86 -10.181 8.763 -7.422 1.00 4.54 H new ATOM 0 HB2 LYS A 86 -12.489 6.825 -7.257 1.00 51.42 H new ATOM 0 HB3 LYS A 86 -12.450 8.396 -6.481 1.00 51.42 H new ATOM 0 HG2 LYS A 86 -13.475 8.976 -8.490 1.00 2.32 H new ATOM 0 HG3 LYS A 86 -11.800 9.257 -8.921 1.00 2.32 H new ATOM 0 HD2 LYS A 86 -12.406 7.919 -10.716 1.00 43.02 H new ATOM 0 HD3 LYS A 86 -11.888 6.663 -9.610 1.00 43.02 H new ATOM 0 HE2 LYS A 86 -14.340 6.562 -8.789 1.00 63.30 H new ATOM 0 HE3 LYS A 86 -14.744 7.574 -10.161 1.00 63.30 H new ATOM 0 HZ1 LYS A 86 -15.008 5.240 -10.687 1.00 13.13 H new ATOM 0 HZ2 LYS A 86 -13.772 5.915 -11.637 1.00 13.13 H new ATOM 0 HZ3 LYS A 86 -13.381 4.934 -10.307 1.00 13.13 H new ATOM 1344 N LYS A 87 -10.123 6.029 -5.611 1.00 14.22 N ATOM 1345 CA LYS A 87 -9.669 5.482 -4.344 1.00 74.32 C ATOM 1346 C LYS A 87 -8.226 5.927 -4.090 1.00 52.11 C ATOM 1347 O LYS A 87 -7.308 5.495 -4.787 1.00 61.33 O ATOM 1348 CB LYS A 87 -9.858 3.964 -4.316 1.00 24.34 C ATOM 1349 CG LYS A 87 -11.246 3.595 -3.790 1.00 3.32 C ATOM 1350 CD LYS A 87 -12.262 3.514 -4.931 1.00 34.24 C ATOM 1351 CE LYS A 87 -12.235 2.134 -5.592 1.00 64.11 C ATOM 1352 NZ LYS A 87 -13.116 2.111 -6.781 1.00 73.24 N1+ ATOM 0 H LYS A 87 -10.515 5.342 -6.255 1.00 14.22 H new ATOM 0 HA LYS A 87 -10.273 5.870 -3.524 1.00 74.32 H new ATOM 0 HB2 LYS A 87 -9.726 3.559 -5.319 1.00 24.34 H new ATOM 0 HB3 LYS A 87 -9.094 3.510 -3.685 1.00 24.34 H new ATOM 0 HG2 LYS A 87 -11.199 2.637 -3.271 1.00 3.32 H new ATOM 0 HG3 LYS A 87 -11.571 4.337 -3.061 1.00 3.32 H new ATOM 0 HD2 LYS A 87 -13.262 3.718 -4.548 1.00 34.24 H new ATOM 0 HD3 LYS A 87 -12.042 4.281 -5.673 1.00 34.24 H new ATOM 0 HE2 LYS A 87 -11.215 1.884 -5.883 1.00 64.11 H new ATOM 0 HE3 LYS A 87 -12.558 1.376 -4.878 1.00 64.11 H new ATOM 0 HZ1 LYS A 87 -13.086 1.167 -7.217 1.00 73.24 H new ATOM 0 HZ2 LYS A 87 -14.092 2.329 -6.494 1.00 73.24 H new ATOM 0 HZ3 LYS A 87 -12.790 2.821 -7.468 1.00 73.24 H new ATOM 1365 N LYS A 88 -8.072 6.784 -3.092 1.00 3.10 N ATOM 1366 CA LYS A 88 -6.757 7.291 -2.738 1.00 50.44 C ATOM 1367 C LYS A 88 -5.835 6.117 -2.403 1.00 62.35 C ATOM 1368 O LYS A 88 -4.672 6.103 -2.804 1.00 5.43 O ATOM 1369 CB LYS A 88 -6.866 8.326 -1.616 1.00 32.15 C ATOM 1370 CG LYS A 88 -5.481 8.771 -1.143 1.00 53.14 C ATOM 1371 CD LYS A 88 -4.975 7.877 -0.010 1.00 21.14 C ATOM 1372 CE LYS A 88 -5.435 8.403 1.351 1.00 11.43 C ATOM 1373 NZ LYS A 88 -6.895 8.649 1.346 1.00 32.04 N1+ ATOM 0 H LYS A 88 -8.836 7.140 -2.517 1.00 3.10 H new ATOM 0 HA LYS A 88 -6.311 7.816 -3.583 1.00 50.44 H new ATOM 0 HB2 LYS A 88 -7.429 9.191 -1.968 1.00 32.15 H new ATOM 0 HB3 LYS A 88 -7.421 7.903 -0.779 1.00 32.15 H new ATOM 0 HG2 LYS A 88 -4.780 8.739 -1.977 1.00 53.14 H new ATOM 0 HG3 LYS A 88 -5.524 9.806 -0.803 1.00 53.14 H new ATOM 0 HD2 LYS A 88 -5.341 6.860 -0.153 1.00 21.14 H new ATOM 0 HD3 LYS A 88 -3.886 7.831 -0.037 1.00 21.14 H new ATOM 0 HE2 LYS A 88 -5.184 7.682 2.129 1.00 11.43 H new ATOM 0 HE3 LYS A 88 -4.906 9.326 1.589 1.00 11.43 H new ATOM 0 HZ1 LYS A 88 -7.207 8.908 2.304 1.00 32.04 H new ATOM 0 HZ2 LYS A 88 -7.114 9.425 0.689 1.00 32.04 H new ATOM 0 HZ3 LYS A 88 -7.391 7.787 1.042 1.00 32.04 H new ATOM 1386 N GLU A 89 -6.389 5.160 -1.674 1.00 24.00 N ATOM 1387 CA GLU A 89 -5.631 3.984 -1.281 1.00 53.30 C ATOM 1388 C GLU A 89 -5.037 3.300 -2.514 1.00 33.12 C ATOM 1389 O GLU A 89 -3.829 3.078 -2.584 1.00 21.33 O ATOM 1390 CB GLU A 89 -6.500 3.014 -0.480 1.00 23.22 C ATOM 1391 CG GLU A 89 -7.747 2.613 -1.271 1.00 22.23 C ATOM 1392 CD GLU A 89 -8.868 2.156 -0.335 1.00 40.42 C ATOM 1393 OE1 GLU A 89 -9.766 2.947 -0.013 1.00 70.43 O ATOM 1394 OE2 GLU A 89 -8.783 0.931 0.059 1.00 40.44 O1- ATOM 0 H GLU A 89 -7.354 5.175 -1.345 1.00 24.00 H new ATOM 0 HA GLU A 89 -4.812 4.302 -0.636 1.00 53.30 H new ATOM 0 HB2 GLU A 89 -5.922 2.124 -0.230 1.00 23.22 H new ATOM 0 HB3 GLU A 89 -6.796 3.477 0.461 1.00 23.22 H new ATOM 0 HG2 GLU A 89 -8.090 3.457 -1.869 1.00 22.23 H new ATOM 0 HG3 GLU A 89 -7.499 1.810 -1.966 1.00 22.23 H new ATOM 1402 N GLU A 90 -5.914 2.983 -3.455 1.00 72.24 N ATOM 1403 CA GLU A 90 -5.492 2.327 -4.681 1.00 0.45 C ATOM 1404 C GLU A 90 -4.551 3.238 -5.473 1.00 42.01 C ATOM 1405 O GLU A 90 -3.765 2.764 -6.291 1.00 73.10 O ATOM 1406 CB GLU A 90 -6.698 1.916 -5.527 1.00 22.42 C ATOM 1407 CG GLU A 90 -7.144 0.492 -5.190 1.00 43.23 C ATOM 1408 CD GLU A 90 -8.623 0.287 -5.525 1.00 20.55 C ATOM 1409 OE1 GLU A 90 -9.077 0.696 -6.605 1.00 5.43 O ATOM 1410 OE2 GLU A 90 -9.307 -0.323 -4.618 1.00 12.21 O1- ATOM 0 H GLU A 90 -6.915 3.168 -3.393 1.00 72.24 H new ATOM 0 HA GLU A 90 -4.950 1.419 -4.416 1.00 0.45 H new ATOM 0 HB2 GLU A 90 -7.521 2.609 -5.354 1.00 22.42 H new ATOM 0 HB3 GLU A 90 -6.444 1.981 -6.585 1.00 22.42 H new ATOM 0 HG2 GLU A 90 -6.539 -0.224 -5.746 1.00 43.23 H new ATOM 0 HG3 GLU A 90 -6.977 0.296 -4.131 1.00 43.23 H new ATOM 1418 N ARG A 91 -4.665 4.531 -5.202 1.00 31.04 N ATOM 1419 CA ARG A 91 -3.835 5.512 -5.880 1.00 55.13 C ATOM 1420 C ARG A 91 -2.424 5.514 -5.288 1.00 34.33 C ATOM 1421 O ARG A 91 -1.475 5.951 -5.937 1.00 24.42 O ATOM 1422 CB ARG A 91 -4.432 6.916 -5.759 1.00 21.11 C ATOM 1423 CG ARG A 91 -5.343 7.228 -6.949 1.00 71.31 C ATOM 1424 CD ARG A 91 -4.577 7.121 -8.269 1.00 2.23 C ATOM 1425 NE ARG A 91 -3.220 7.692 -8.115 1.00 24.12 N ATOM 1426 CZ ARG A 91 -2.154 7.318 -8.852 1.00 72.21 C ATOM 1427 NH1 ARG A 91 -2.278 6.371 -9.806 1.00 52.41 N ATOM 1428 NH2 ARG A 91 -0.988 7.896 -8.629 1.00 72.51 N1+ ATOM 0 H ARG A 91 -5.319 4.921 -4.523 1.00 31.04 H new ATOM 0 HA ARG A 91 -3.791 5.237 -6.934 1.00 55.13 H new ATOM 0 HB2 ARG A 91 -4.999 6.995 -4.831 1.00 21.11 H new ATOM 0 HB3 ARG A 91 -3.630 7.653 -5.707 1.00 21.11 H new ATOM 0 HG2 ARG A 91 -6.186 6.537 -6.957 1.00 71.31 H new ATOM 0 HG3 ARG A 91 -5.754 8.232 -6.843 1.00 71.31 H new ATOM 0 HD2 ARG A 91 -4.509 6.077 -8.576 1.00 2.23 H new ATOM 0 HD3 ARG A 91 -5.116 7.650 -9.055 1.00 2.23 H new ATOM 0 HE ARG A 91 -3.082 8.413 -7.407 1.00 24.12 H new ATOM 0 HH11 ARG A 91 -3.183 5.932 -9.974 1.00 52.41 H new ATOM 0 HH12 ARG A 91 -1.466 6.094 -10.359 1.00 52.41 H new ATOM 0 HH21 ARG A 91 -0.904 8.613 -7.909 1.00 72.51 H new ATOM 0 HH22 ARG A 91 -0.171 7.625 -9.177 1.00 72.51 H new ATOM 1441 N ALA A 92 -2.330 5.020 -4.062 1.00 44.03 N ATOM 1442 CA ALA A 92 -1.051 4.958 -3.375 1.00 4.24 C ATOM 1443 C ALA A 92 -0.454 3.560 -3.543 1.00 44.10 C ATOM 1444 O ALA A 92 0.726 3.348 -3.270 1.00 25.42 O ATOM 1445 CB ALA A 92 -1.241 5.340 -1.906 1.00 24.15 C ATOM 0 H ALA A 92 -3.119 4.659 -3.526 1.00 44.03 H new ATOM 0 HA ALA A 92 -0.348 5.670 -3.807 1.00 4.24 H new ATOM 0 HB1 ALA A 92 -0.282 5.293 -1.391 1.00 24.15 H new ATOM 0 HB2 ALA A 92 -1.638 6.353 -1.842 1.00 24.15 H new ATOM 0 HB3 ALA A 92 -1.939 4.646 -1.437 1.00 24.15 H new ATOM 1451 N ASP A 93 -1.297 2.640 -3.990 1.00 13.32 N ATOM 1452 CA ASP A 93 -0.868 1.269 -4.195 1.00 41.32 C ATOM 1453 C ASP A 93 -0.509 1.067 -5.669 1.00 30.23 C ATOM 1454 O ASP A 93 0.387 0.288 -5.993 1.00 20.11 O ATOM 1455 CB ASP A 93 -1.983 0.283 -3.841 1.00 51.12 C ATOM 1456 CG ASP A 93 -2.547 0.425 -2.427 1.00 14.42 C ATOM 1457 OD1 ASP A 93 -3.367 -0.391 -1.980 1.00 11.21 O ATOM 1458 OD2 ASP A 93 -2.107 1.441 -1.764 1.00 61.21 O1- ATOM 0 H ASP A 93 -2.276 2.819 -4.216 1.00 13.32 H new ATOM 0 HA ASP A 93 -0.007 1.086 -3.552 1.00 41.32 H new ATOM 0 HB2 ASP A 93 -2.797 0.407 -4.555 1.00 51.12 H new ATOM 0 HB3 ASP A 93 -1.603 -0.731 -3.964 1.00 51.12 H new ATOM 1464 N LEU A 94 -1.227 1.781 -6.523 1.00 1.20 N ATOM 1465 CA LEU A 94 -0.995 1.691 -7.955 1.00 74.05 C ATOM 1466 C LEU A 94 0.366 2.303 -8.287 1.00 42.32 C ATOM 1467 O LEU A 94 0.889 2.107 -9.382 1.00 60.31 O ATOM 1468 CB LEU A 94 -2.158 2.320 -8.726 1.00 54.11 C ATOM 1469 CG LEU A 94 -2.243 1.971 -10.213 1.00 72.20 C ATOM 1470 CD1 LEU A 94 -1.444 2.965 -11.058 1.00 35.13 C ATOM 1471 CD2 LEU A 94 -1.806 0.525 -10.462 1.00 30.44 C ATOM 0 H LEU A 94 -1.970 2.425 -6.251 1.00 1.20 H new ATOM 0 HA LEU A 94 -0.960 0.648 -8.271 1.00 74.05 H new ATOM 0 HB2 LEU A 94 -3.090 2.018 -8.248 1.00 54.11 H new ATOM 0 HB3 LEU A 94 -2.087 3.404 -8.631 1.00 54.11 H new ATOM 0 HG LEU A 94 -3.285 2.051 -10.523 1.00 72.20 H new ATOM 0 HD11 LEU A 94 -1.522 2.693 -12.111 1.00 35.13 H new ATOM 0 HD12 LEU A 94 -1.842 3.969 -10.912 1.00 35.13 H new ATOM 0 HD13 LEU A 94 -0.398 2.942 -10.754 1.00 35.13 H new ATOM 0 HD21 LEU A 94 -1.876 0.302 -11.527 1.00 30.44 H new ATOM 0 HD22 LEU A 94 -0.776 0.394 -10.130 1.00 30.44 H new ATOM 0 HD23 LEU A 94 -2.455 -0.152 -9.906 1.00 30.44 H new ATOM 1483 N ILE A 95 0.902 3.034 -7.319 1.00 14.42 N ATOM 1484 CA ILE A 95 2.194 3.677 -7.495 1.00 64.13 C ATOM 1485 C ILE A 95 3.288 2.780 -6.912 1.00 4.02 C ATOM 1486 O ILE A 95 4.283 2.496 -7.577 1.00 25.25 O ATOM 1487 CB ILE A 95 2.175 5.088 -6.905 1.00 34.32 C ATOM 1488 CG1 ILE A 95 1.056 5.927 -7.527 1.00 4.41 C ATOM 1489 CG2 ILE A 95 3.541 5.760 -7.046 1.00 33.12 C ATOM 1490 CD1 ILE A 95 1.008 7.324 -6.903 1.00 42.01 C ATOM 0 H ILE A 95 0.465 3.195 -6.411 1.00 14.42 H new ATOM 0 HA ILE A 95 2.416 3.803 -8.555 1.00 64.13 H new ATOM 0 HB ILE A 95 1.964 5.009 -5.838 1.00 34.32 H new ATOM 0 HG12 ILE A 95 1.213 6.010 -8.602 1.00 4.41 H new ATOM 0 HG13 ILE A 95 0.098 5.427 -7.383 1.00 4.41 H new ATOM 0 HG21 ILE A 95 3.500 6.762 -6.619 1.00 33.12 H new ATOM 0 HG22 ILE A 95 4.292 5.171 -6.519 1.00 33.12 H new ATOM 0 HG23 ILE A 95 3.807 5.826 -8.101 1.00 33.12 H new ATOM 0 HD11 ILE A 95 0.205 7.900 -7.362 1.00 42.01 H new ATOM 0 HD12 ILE A 95 0.826 7.238 -5.832 1.00 42.01 H new ATOM 0 HD13 ILE A 95 1.959 7.830 -7.070 1.00 42.01 H new ATOM 1502 N ALA A 96 3.068 2.361 -5.675 1.00 33.14 N ATOM 1503 CA ALA A 96 4.023 1.504 -4.993 1.00 12.15 C ATOM 1504 C ALA A 96 4.561 0.464 -5.979 1.00 53.11 C ATOM 1505 O ALA A 96 5.771 0.364 -6.182 1.00 25.00 O ATOM 1506 CB ALA A 96 3.356 0.861 -3.776 1.00 44.52 C ATOM 0 H ALA A 96 2.242 2.599 -5.127 1.00 33.14 H new ATOM 0 HA ALA A 96 4.870 2.086 -4.630 1.00 12.15 H new ATOM 0 HB1 ALA A 96 4.073 0.218 -3.265 1.00 44.52 H new ATOM 0 HB2 ALA A 96 3.016 1.640 -3.093 1.00 44.52 H new ATOM 0 HB3 ALA A 96 2.503 0.266 -4.101 1.00 44.52 H new ATOM 1512 N TYR A 97 3.638 -0.282 -6.566 1.00 1.44 N ATOM 1513 CA TYR A 97 4.005 -1.310 -7.525 1.00 62.31 C ATOM 1514 C TYR A 97 4.989 -0.766 -8.562 1.00 21.40 C ATOM 1515 O TYR A 97 5.997 -1.405 -8.862 1.00 22.13 O ATOM 1516 CB TYR A 97 2.708 -1.710 -8.232 1.00 54.22 C ATOM 1517 CG TYR A 97 2.919 -2.349 -9.605 1.00 33.23 C ATOM 1518 CD1 TYR A 97 3.502 -3.596 -9.704 1.00 70.44 C ATOM 1519 CD2 TYR A 97 2.526 -1.679 -10.747 1.00 73.34 C ATOM 1520 CE1 TYR A 97 3.701 -4.198 -10.997 1.00 61.32 C ATOM 1521 CE2 TYR A 97 2.725 -2.281 -12.039 1.00 72.22 C ATOM 1522 CZ TYR A 97 3.303 -3.511 -12.101 1.00 14.22 C ATOM 1523 OH TYR A 97 3.491 -4.080 -13.322 1.00 3.20 O ATOM 0 H TYR A 97 2.636 -0.195 -6.396 1.00 1.44 H new ATOM 0 HA TYR A 97 4.484 -2.150 -7.022 1.00 62.31 H new ATOM 0 HB2 TYR A 97 2.161 -2.408 -7.598 1.00 54.22 H new ATOM 0 HB3 TYR A 97 2.081 -0.826 -8.347 1.00 54.22 H new ATOM 0 HD1 TYR A 97 3.809 -4.121 -8.811 1.00 70.44 H new ATOM 0 HD2 TYR A 97 2.069 -0.703 -10.670 1.00 73.34 H new ATOM 0 HE1 TYR A 97 4.156 -5.173 -11.088 1.00 61.32 H new ATOM 0 HE2 TYR A 97 2.422 -1.768 -12.940 1.00 72.22 H new ATOM 0 HH TYR A 97 3.158 -3.477 -14.019 1.00 3.20 H new ATOM 1533 N LEU A 98 4.663 0.409 -9.081 1.00 55.30 N ATOM 1534 CA LEU A 98 5.507 1.046 -10.079 1.00 10.43 C ATOM 1535 C LEU A 98 6.904 1.264 -9.494 1.00 50.54 C ATOM 1536 O LEU A 98 7.905 1.096 -10.189 1.00 71.33 O ATOM 1537 CB LEU A 98 4.851 2.327 -10.596 1.00 25.13 C ATOM 1538 CG LEU A 98 3.520 2.150 -11.330 1.00 4.11 C ATOM 1539 CD1 LEU A 98 2.836 3.499 -11.558 1.00 43.25 C ATOM 1540 CD2 LEU A 98 3.713 1.378 -12.635 1.00 11.03 C ATOM 0 H LEU A 98 3.827 0.936 -8.830 1.00 55.30 H new ATOM 0 HA LEU A 98 5.622 0.400 -10.950 1.00 10.43 H new ATOM 0 HB2 LEU A 98 4.691 2.996 -9.751 1.00 25.13 H new ATOM 0 HB3 LEU A 98 5.551 2.824 -11.268 1.00 25.13 H new ATOM 0 HG LEU A 98 2.858 1.556 -10.699 1.00 4.11 H new ATOM 0 HD11 LEU A 98 1.892 3.345 -12.081 1.00 43.25 H new ATOM 0 HD12 LEU A 98 2.644 3.977 -10.597 1.00 43.25 H new ATOM 0 HD13 LEU A 98 3.483 4.138 -12.158 1.00 43.25 H new ATOM 0 HD21 LEU A 98 2.752 1.266 -13.137 1.00 11.03 H new ATOM 0 HD22 LEU A 98 4.399 1.924 -13.283 1.00 11.03 H new ATOM 0 HD23 LEU A 98 4.126 0.393 -12.417 1.00 11.03 H new ATOM 1552 N LYS A 99 6.928 1.634 -8.223 1.00 73.11 N ATOM 1553 CA LYS A 99 8.186 1.876 -7.536 1.00 1.31 C ATOM 1554 C LYS A 99 8.959 0.561 -7.419 1.00 71.25 C ATOM 1555 O LYS A 99 10.139 0.560 -7.071 1.00 53.02 O ATOM 1556 CB LYS A 99 7.940 2.567 -6.193 1.00 31.34 C ATOM 1557 CG LYS A 99 7.988 4.088 -6.343 1.00 15.41 C ATOM 1558 CD LYS A 99 6.600 4.651 -6.655 1.00 1.10 C ATOM 1559 CE LYS A 99 6.469 6.094 -6.160 1.00 13.50 C ATOM 1560 NZ LYS A 99 5.971 6.121 -4.768 1.00 12.44 N1+ ATOM 0 H LYS A 99 6.096 1.772 -7.650 1.00 73.11 H new ATOM 0 HA LYS A 99 8.808 2.562 -8.111 1.00 1.31 H new ATOM 0 HB2 LYS A 99 6.969 2.267 -5.798 1.00 31.34 H new ATOM 0 HB3 LYS A 99 8.691 2.245 -5.471 1.00 31.34 H new ATOM 0 HG2 LYS A 99 8.368 4.536 -5.425 1.00 15.41 H new ATOM 0 HG3 LYS A 99 8.681 4.357 -7.140 1.00 15.41 H new ATOM 0 HD2 LYS A 99 6.422 4.614 -7.730 1.00 1.10 H new ATOM 0 HD3 LYS A 99 5.838 4.031 -6.184 1.00 1.10 H new ATOM 0 HE2 LYS A 99 7.436 6.593 -6.216 1.00 13.50 H new ATOM 0 HE3 LYS A 99 5.787 6.646 -6.807 1.00 13.50 H new ATOM 0 HZ1 LYS A 99 5.018 6.537 -4.748 1.00 12.44 H new ATOM 0 HZ2 LYS A 99 5.933 5.151 -4.394 1.00 12.44 H new ATOM 0 HZ3 LYS A 99 6.611 6.693 -4.181 1.00 12.44 H new ATOM 1573 N LYS A 100 8.264 -0.526 -7.718 1.00 63.15 N ATOM 1574 CA LYS A 100 8.871 -1.845 -7.650 1.00 72.41 C ATOM 1575 C LYS A 100 8.834 -2.489 -9.038 1.00 64.54 C ATOM 1576 O LYS A 100 9.363 -3.583 -9.233 1.00 30.00 O ATOM 1577 CB LYS A 100 8.201 -2.689 -6.564 1.00 4.54 C ATOM 1578 CG LYS A 100 8.226 -1.964 -5.216 1.00 42.24 C ATOM 1579 CD LYS A 100 9.647 -1.902 -4.652 1.00 15.32 C ATOM 1580 CE LYS A 100 9.641 -1.413 -3.203 1.00 64.41 C ATOM 1581 NZ LYS A 100 9.203 -0.001 -3.134 1.00 13.11 N1+ ATOM 0 H LYS A 100 7.286 -0.521 -8.008 1.00 63.15 H new ATOM 0 HA LYS A 100 9.919 -1.768 -7.360 1.00 72.41 H new ATOM 0 HB2 LYS A 100 7.170 -2.902 -6.848 1.00 4.54 H new ATOM 0 HB3 LYS A 100 8.712 -3.648 -6.476 1.00 4.54 H new ATOM 0 HG2 LYS A 100 7.834 -0.954 -5.335 1.00 42.24 H new ATOM 0 HG3 LYS A 100 7.573 -2.478 -4.511 1.00 42.24 H new ATOM 0 HD2 LYS A 100 10.106 -2.889 -4.704 1.00 15.32 H new ATOM 0 HD3 LYS A 100 10.255 -1.235 -5.262 1.00 15.32 H new ATOM 0 HE2 LYS A 100 8.975 -2.036 -2.606 1.00 64.41 H new ATOM 0 HE3 LYS A 100 10.639 -1.512 -2.776 1.00 64.41 H new ATOM 0 HZ1 LYS A 100 9.253 0.330 -2.149 1.00 13.11 H new ATOM 0 HZ2 LYS A 100 9.824 0.584 -3.729 1.00 13.11 H new ATOM 0 HZ3 LYS A 100 8.224 0.076 -3.475 1.00 13.11 H new ATOM 1594 N ALA A 101 8.206 -1.784 -9.967 1.00 71.41 N ATOM 1595 CA ALA A 101 8.094 -2.274 -11.331 1.00 62.32 C ATOM 1596 C ALA A 101 9.140 -1.580 -12.204 1.00 15.30 C ATOM 1597 O ALA A 101 10.172 -2.167 -12.529 1.00 73.54 O ATOM 1598 CB ALA A 101 6.669 -2.050 -11.838 1.00 63.13 C ATOM 0 H ALA A 101 7.769 -0.877 -9.802 1.00 71.41 H new ATOM 0 HA ALA A 101 8.289 -3.346 -11.372 1.00 62.32 H new ATOM 0 HB1 ALA A 101 6.585 -2.417 -12.861 1.00 63.13 H new ATOM 0 HB2 ALA A 101 5.967 -2.588 -11.200 1.00 63.13 H new ATOM 0 HB3 ALA A 101 6.438 -0.985 -11.815 1.00 63.13 H new ATOM 1604 N THR A 102 8.840 -0.339 -12.560 1.00 2.02 N ATOM 1605 CA THR A 102 9.741 0.440 -13.390 1.00 71.34 C ATOM 1606 C THR A 102 11.046 0.720 -12.643 1.00 12.43 C ATOM 1607 O THR A 102 12.014 1.199 -13.234 1.00 41.24 O ATOM 1608 CB THR A 102 9.006 1.711 -13.824 1.00 15.35 C ATOM 1609 OG1 THR A 102 10.045 2.586 -14.251 1.00 54.52 O ATOM 1610 CG2 THR A 102 8.361 2.445 -12.646 1.00 62.44 C ATOM 0 H THR A 102 7.985 0.146 -12.288 1.00 2.02 H new ATOM 0 HA THR A 102 10.027 -0.110 -14.287 1.00 71.34 H new ATOM 0 HB THR A 102 8.240 1.455 -14.556 1.00 15.35 H new ATOM 0 HG1 THR A 102 10.890 2.092 -14.296 1.00 54.52 H new ATOM 0 HG21 THR A 102 7.853 3.339 -13.008 1.00 62.44 H new ATOM 0 HG22 THR A 102 7.639 1.789 -12.160 1.00 62.44 H new ATOM 0 HG23 THR A 102 9.131 2.731 -11.930 1.00 62.44 H new ATOM 1618 N ASN A 103 11.032 0.410 -11.355 1.00 4.21 N ATOM 1619 CA ASN A 103 12.202 0.622 -10.521 1.00 22.31 C ATOM 1620 C ASN A 103 13.234 -0.469 -10.812 1.00 72.30 C ATOM 1621 O ASN A 103 14.438 -0.220 -10.758 1.00 23.40 O ATOM 1622 CB ASN A 103 11.841 0.547 -9.036 1.00 0.14 C ATOM 1623 CG ASN A 103 13.099 0.449 -8.171 1.00 54.24 C ATOM 1624 OD1 ASN A 103 14.135 1.019 -8.469 1.00 3.22 O ATOM 1625 ND2 ASN A 103 12.950 -0.302 -7.083 1.00 60.01 N ATOM 0 H ASN A 103 10.228 0.013 -10.869 1.00 4.21 H new ATOM 0 HA ASN A 103 12.602 1.611 -10.745 1.00 22.31 H new ATOM 0 HB2 ASN A 103 11.268 1.430 -8.752 1.00 0.14 H new ATOM 0 HB3 ASN A 103 11.203 -0.318 -8.856 1.00 0.14 H new ATOM 0 HD21 ASN A 103 13.731 -0.428 -6.439 1.00 60.01 H new ATOM 0 HD22 ASN A 103 12.055 -0.752 -6.892 1.00 60.01 H new ATOM 1632 N GLU A 104 12.726 -1.655 -11.114 1.00 33.11 N ATOM 1633 CA GLU A 104 13.589 -2.784 -11.413 1.00 43.24 C ATOM 1634 C GLU A 104 14.756 -2.342 -12.298 1.00 2.51 C ATOM 1635 O GLU A 104 15.706 -3.096 -12.501 1.00 22.34 O ATOM 1636 CB GLU A 104 12.800 -3.918 -12.073 1.00 32.13 C ATOM 1637 CG GLU A 104 11.708 -4.442 -11.139 1.00 20.34 C ATOM 1638 CD GLU A 104 11.337 -5.885 -11.486 1.00 3.30 C ATOM 1639 OE1 GLU A 104 11.271 -6.741 -10.590 1.00 3.03 O ATOM 1640 OE2 GLU A 104 11.110 -6.105 -12.737 1.00 64.02 O1- ATOM 0 H GLU A 104 11.727 -1.858 -11.158 1.00 33.11 H new ATOM 0 HA GLU A 104 13.994 -3.164 -10.475 1.00 43.24 H new ATOM 0 HB2 GLU A 104 12.351 -3.562 -13.000 1.00 32.13 H new ATOM 0 HB3 GLU A 104 13.477 -4.730 -12.339 1.00 32.13 H new ATOM 0 HG2 GLU A 104 12.052 -4.389 -10.106 1.00 20.34 H new ATOM 0 HG3 GLU A 104 10.825 -3.807 -11.214 1.00 20.34 H new