USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=29 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 Set 1.1: A 67 TYR OH : rot -153:sc= 0.893 USER MOD Set 1.2: A 80 MET CE :methyl -163:sc= -0.219 (180deg=-0.989) USER MOD Set 2.1: A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 88 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.32) USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 31 ASN : amide:sc= -5.68! C(o=-5.7!,f=-6.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -155:sc= -0.498 (180deg=-2.15!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 121:sc= 1.29 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.499 X(o=-0.5,f=-0.5) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= -2.53! K(o=-2.5!,f=-3.7) 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= -2.34! C(o=-2.3!,f=-3.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 HIS :FLIP no HD1:sc= -7.07! C(o=-9.7!,f=-7.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 48:sc= -0.42 USER MOD Single : A 42 GLN :FLIP amide:sc= -1.42 F(o=-2.7!,f=-1.4) USER MOD Single : A 46 TYR OH : rot 30:sc= -0.145 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 52 ASN :FLIP amide:sc= -3.83! F(o=-4.7,f=-3.8!) USER MOD Single : A 53 LYS NZ :NH3+ -125:sc= -0.041 (180deg=-0.479) USER MOD Single : A 54 ASN : amide:sc= -0.0288 K(o=-0.029,f=-0.88) USER MOD Single : A 55 LYS NZ :NH3+ 165:sc= 0.11 (180deg=0.0584) USER MOD Single : A 63 THR OG1 : rot -119:sc= -1.44! USER MOD Single : A 70 ASN : amide:sc= -1.85 K(o=-1.8,f=-5.7!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0708) USER MOD Single : A 74 TYR OH : rot -70:sc= -1.14 USER MOD Single : A 78 THR OG1 : rot 170:sc= 0.28 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00243) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -130:sc= -1.47 (180deg=-5.58!) USER MOD Single : A 100 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.208) USER MOD Single : A 102 THR OG1 : rot -120:sc= -1.63! USER MOD Single : A 103 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.151 1.074 0.144 1.00 73.12 N ATOM 2 CA GLY A 1 1.428 0.891 -1.271 1.00 23.12 C ATOM 3 C GLY A 1 1.807 -0.560 -1.572 1.00 15.10 C ATOM 4 O GLY A 1 2.922 -0.988 -1.279 1.00 23.01 O ATOM 0 H1 GLY A 1 0.896 2.066 0.322 1.00 73.12 H new ATOM 0 H2 GLY A 1 0.362 0.458 0.426 1.00 73.12 H new ATOM 0 H3 GLY A 1 1.996 0.829 0.698 1.00 73.12 H new ATOM 0 HA2 GLY A 1 0.552 1.171 -1.856 1.00 23.12 H new ATOM 0 HA3 GLY A 1 2.239 1.553 -1.575 1.00 23.12 H new ATOM 8 N ASP A 2 0.857 -1.278 -2.153 1.00 31.34 N ATOM 9 CA ASP A 2 1.076 -2.672 -2.498 1.00 62.51 C ATOM 10 C ASP A 2 1.558 -2.765 -3.948 1.00 14.32 C ATOM 11 O ASP A 2 1.136 -1.982 -4.796 1.00 25.10 O ATOM 12 CB ASP A 2 -0.216 -3.480 -2.376 1.00 74.02 C ATOM 13 CG ASP A 2 -0.539 -3.976 -0.965 1.00 73.22 C ATOM 14 OD1 ASP A 2 0.123 -3.596 0.013 1.00 54.32 O ATOM 15 OD2 ASP A 2 -1.530 -4.798 -0.888 1.00 63.02 O1- ATOM 0 H ASP A 2 -0.067 -0.920 -2.394 1.00 31.34 H new ATOM 0 HA ASP A 2 1.819 -3.076 -1.811 1.00 62.51 H new ATOM 0 HB2 ASP A 2 -1.045 -2.866 -2.727 1.00 74.02 H new ATOM 0 HB3 ASP A 2 -0.152 -4.341 -3.042 1.00 74.02 H new ATOM 21 N VAL A 3 2.433 -3.731 -4.186 1.00 32.11 N ATOM 22 CA VAL A 3 2.976 -3.937 -5.517 1.00 21.23 C ATOM 23 C VAL A 3 2.110 -4.954 -6.265 1.00 32.03 C ATOM 24 O VAL A 3 1.613 -4.671 -7.354 1.00 72.34 O ATOM 25 CB VAL A 3 4.445 -4.356 -5.426 1.00 43.02 C ATOM 26 CG1 VAL A 3 4.992 -4.741 -6.802 1.00 11.15 C ATOM 27 CG2 VAL A 3 5.290 -3.251 -4.788 1.00 25.11 C ATOM 0 H VAL A 3 2.779 -4.380 -3.479 1.00 32.11 H new ATOM 0 HA VAL A 3 2.952 -3.008 -6.086 1.00 21.23 H new ATOM 0 HB VAL A 3 4.504 -5.236 -4.785 1.00 43.02 H new ATOM 0 HG11 VAL A 3 6.038 -5.035 -6.709 1.00 11.15 H new ATOM 0 HG12 VAL A 3 4.415 -5.575 -7.203 1.00 11.15 H new ATOM 0 HG13 VAL A 3 4.913 -3.888 -7.476 1.00 11.15 H new ATOM 0 HG21 VAL A 3 6.330 -3.573 -4.735 1.00 25.11 H new ATOM 0 HG22 VAL A 3 5.221 -2.346 -5.391 1.00 25.11 H new ATOM 0 HG23 VAL A 3 4.922 -3.046 -3.783 1.00 25.11 H new ATOM 37 N GLU A 4 1.955 -6.117 -5.649 1.00 73.22 N ATOM 38 CA GLU A 4 1.157 -7.177 -6.242 1.00 63.21 C ATOM 39 C GLU A 4 -0.190 -6.628 -6.713 1.00 2.11 C ATOM 40 O GLU A 4 -0.599 -6.869 -7.848 1.00 24.52 O ATOM 41 CB GLU A 4 0.965 -8.333 -5.258 1.00 11.11 C ATOM 42 CG GLU A 4 0.230 -7.866 -4.001 1.00 4.20 C ATOM 43 CD GLU A 4 0.451 -8.841 -2.843 1.00 44.00 C ATOM 44 OE1 GLU A 4 -0.483 -9.112 -2.073 1.00 12.45 O ATOM 45 OE2 GLU A 4 1.644 -9.326 -2.758 1.00 23.24 O1- ATOM 0 H GLU A 4 2.368 -6.348 -4.746 1.00 73.22 H new ATOM 0 HA GLU A 4 1.691 -7.566 -7.109 1.00 63.21 H new ATOM 0 HB2 GLU A 4 0.401 -9.133 -5.737 1.00 11.11 H new ATOM 0 HB3 GLU A 4 1.935 -8.747 -4.984 1.00 11.11 H new ATOM 0 HG2 GLU A 4 0.581 -6.874 -3.718 1.00 4.20 H new ATOM 0 HG3 GLU A 4 -0.836 -7.779 -4.210 1.00 4.20 H new ATOM 53 N LYS A 5 -0.843 -5.901 -5.819 1.00 75.34 N ATOM 54 CA LYS A 5 -2.135 -5.315 -6.129 1.00 44.05 C ATOM 55 C LYS A 5 -1.990 -4.373 -7.327 1.00 71.23 C ATOM 56 O LYS A 5 -2.705 -4.509 -8.318 1.00 12.12 O ATOM 57 CB LYS A 5 -2.732 -4.645 -4.890 1.00 52.33 C ATOM 58 CG LYS A 5 -3.119 -5.685 -3.837 1.00 25.44 C ATOM 59 CD LYS A 5 -4.265 -6.569 -4.334 1.00 53.34 C ATOM 60 CE LYS A 5 -4.937 -7.301 -3.172 1.00 54.44 C ATOM 61 NZ LYS A 5 -5.915 -6.419 -2.498 1.00 55.34 N1+ ATOM 0 H LYS A 5 -0.501 -5.704 -4.879 1.00 75.34 H new ATOM 0 HA LYS A 5 -2.845 -6.091 -6.417 1.00 44.05 H new ATOM 0 HB2 LYS A 5 -2.011 -3.945 -4.467 1.00 52.33 H new ATOM 0 HB3 LYS A 5 -3.610 -4.065 -5.173 1.00 52.33 H new ATOM 0 HG2 LYS A 5 -2.255 -6.304 -3.598 1.00 25.44 H new ATOM 0 HG3 LYS A 5 -3.416 -5.183 -2.916 1.00 25.44 H new ATOM 0 HD2 LYS A 5 -5.000 -5.957 -4.857 1.00 53.34 H new ATOM 0 HD3 LYS A 5 -3.884 -7.294 -5.053 1.00 53.34 H new ATOM 0 HE2 LYS A 5 -5.439 -8.196 -3.540 1.00 54.44 H new ATOM 0 HE3 LYS A 5 -4.183 -7.630 -2.457 1.00 54.44 H new ATOM 0 HZ1 LYS A 5 -6.361 -6.933 -1.712 1.00 55.34 H new ATOM 0 HZ2 LYS A 5 -5.427 -5.578 -2.129 1.00 55.34 H new ATOM 0 HZ3 LYS A 5 -6.645 -6.126 -3.179 1.00 55.34 H new ATOM 74 N GLY A 6 -1.058 -3.440 -7.196 1.00 50.24 N ATOM 75 CA GLY A 6 -0.810 -2.477 -8.254 1.00 73.13 C ATOM 76 C GLY A 6 -0.330 -3.174 -9.529 1.00 54.42 C ATOM 77 O GLY A 6 -0.282 -2.563 -10.595 1.00 0.33 O ATOM 0 H GLY A 6 -0.466 -3.331 -6.373 1.00 50.24 H new ATOM 0 HA2 GLY A 6 -1.722 -1.918 -8.462 1.00 73.13 H new ATOM 0 HA3 GLY A 6 -0.062 -1.756 -7.926 1.00 73.13 H new ATOM 81 N LYS A 7 0.015 -4.445 -9.376 1.00 72.11 N ATOM 82 CA LYS A 7 0.491 -5.231 -10.501 1.00 33.13 C ATOM 83 C LYS A 7 -0.708 -5.805 -11.259 1.00 72.23 C ATOM 84 O LYS A 7 -0.776 -5.709 -12.483 1.00 11.22 O ATOM 85 CB LYS A 7 1.485 -6.294 -10.029 1.00 21.32 C ATOM 86 CG LYS A 7 2.332 -6.809 -11.195 1.00 61.52 C ATOM 87 CD LYS A 7 3.699 -7.293 -10.708 1.00 32.11 C ATOM 88 CE LYS A 7 4.627 -7.592 -11.887 1.00 14.32 C ATOM 89 NZ LYS A 7 6.008 -7.835 -11.413 1.00 44.20 N1+ ATOM 0 H LYS A 7 -0.026 -4.949 -8.490 1.00 72.11 H new ATOM 0 HA LYS A 7 1.041 -4.601 -11.201 1.00 33.13 H new ATOM 0 HB2 LYS A 7 2.134 -5.874 -9.261 1.00 21.32 H new ATOM 0 HB3 LYS A 7 0.946 -7.124 -9.572 1.00 21.32 H new ATOM 0 HG2 LYS A 7 1.810 -7.625 -11.695 1.00 61.52 H new ATOM 0 HG3 LYS A 7 2.464 -6.016 -11.931 1.00 61.52 H new ATOM 0 HD2 LYS A 7 4.151 -6.535 -10.068 1.00 32.11 H new ATOM 0 HD3 LYS A 7 3.576 -8.190 -10.101 1.00 32.11 H new ATOM 0 HE2 LYS A 7 4.264 -8.464 -12.430 1.00 14.32 H new ATOM 0 HE3 LYS A 7 4.618 -6.755 -12.585 1.00 14.32 H new ATOM 0 HZ1 LYS A 7 6.624 -8.036 -12.226 1.00 44.20 H new ATOM 0 HZ2 LYS A 7 6.357 -6.992 -10.914 1.00 44.20 H new ATOM 0 HZ3 LYS A 7 6.014 -8.648 -10.764 1.00 44.20 H new ATOM 102 N LYS A 8 -1.624 -6.389 -10.500 1.00 14.31 N ATOM 103 CA LYS A 8 -2.816 -6.978 -11.085 1.00 71.23 C ATOM 104 C LYS A 8 -3.592 -5.901 -11.846 1.00 33.24 C ATOM 105 O LYS A 8 -4.206 -6.182 -12.873 1.00 33.30 O ATOM 106 CB LYS A 8 -3.643 -7.689 -10.013 1.00 4.10 C ATOM 107 CG LYS A 8 -3.141 -9.118 -9.790 1.00 33.13 C ATOM 108 CD LYS A 8 -4.214 -9.977 -9.118 1.00 22.11 C ATOM 109 CE LYS A 8 -4.451 -9.527 -7.674 1.00 14.34 C ATOM 110 NZ LYS A 8 -5.270 -10.523 -6.948 1.00 11.43 N1+ ATOM 0 H LYS A 8 -1.564 -6.467 -9.485 1.00 14.31 H new ATOM 0 HA LYS A 8 -2.545 -7.747 -11.808 1.00 71.23 H new ATOM 0 HB2 LYS A 8 -3.590 -7.131 -9.078 1.00 4.10 H new ATOM 0 HB3 LYS A 8 -4.691 -7.711 -10.312 1.00 4.10 H new ATOM 0 HG2 LYS A 8 -2.860 -9.562 -10.745 1.00 33.13 H new ATOM 0 HG3 LYS A 8 -2.244 -9.100 -9.171 1.00 33.13 H new ATOM 0 HD2 LYS A 8 -5.145 -9.909 -9.681 1.00 22.11 H new ATOM 0 HD3 LYS A 8 -3.909 -11.023 -9.131 1.00 22.11 H new ATOM 0 HE2 LYS A 8 -3.495 -9.394 -7.167 1.00 14.34 H new ATOM 0 HE3 LYS A 8 -4.953 -8.560 -7.666 1.00 14.34 H new ATOM 0 HZ1 LYS A 8 -5.421 -10.202 -5.970 1.00 11.43 H new ATOM 0 HZ2 LYS A 8 -6.189 -10.630 -7.423 1.00 11.43 H new ATOM 0 HZ3 LYS A 8 -4.776 -11.438 -6.939 1.00 11.43 H new ATOM 123 N ILE A 9 -3.536 -4.690 -11.312 1.00 15.44 N ATOM 124 CA ILE A 9 -4.225 -3.568 -11.928 1.00 60.11 C ATOM 125 C ILE A 9 -3.554 -3.231 -13.260 1.00 15.22 C ATOM 126 O ILE A 9 -4.084 -3.547 -14.325 1.00 74.43 O ATOM 127 CB ILE A 9 -4.298 -2.386 -10.959 1.00 1.54 C ATOM 128 CG1 ILE A 9 -4.852 -2.822 -9.601 1.00 64.24 C ATOM 129 CG2 ILE A 9 -5.101 -1.231 -11.562 1.00 30.43 C ATOM 130 CD1 ILE A 9 -4.276 -1.964 -8.473 1.00 25.42 C ATOM 0 H ILE A 9 -3.024 -4.461 -10.460 1.00 15.44 H new ATOM 0 HA ILE A 9 -5.259 -3.832 -12.150 1.00 60.11 H new ATOM 0 HB ILE A 9 -3.285 -2.020 -10.790 1.00 1.54 H new ATOM 0 HG12 ILE A 9 -5.939 -2.742 -9.605 1.00 64.24 H new ATOM 0 HG13 ILE A 9 -4.610 -3.870 -9.425 1.00 64.24 H new ATOM 0 HG21 ILE A 9 -5.137 -0.404 -10.853 1.00 30.43 H new ATOM 0 HG22 ILE A 9 -4.624 -0.898 -12.484 1.00 30.43 H new ATOM 0 HG23 ILE A 9 -6.115 -1.567 -11.780 1.00 30.43 H new ATOM 0 HD11 ILE A 9 -4.686 -2.295 -7.519 1.00 25.42 H new ATOM 0 HD12 ILE A 9 -3.191 -2.065 -8.456 1.00 25.42 H new ATOM 0 HD13 ILE A 9 -4.540 -0.920 -8.639 1.00 25.42 H new ATOM 142 N PHE A 10 -2.396 -2.594 -13.158 1.00 13.32 N ATOM 143 CA PHE A 10 -1.645 -2.211 -14.342 1.00 72.43 C ATOM 144 C PHE A 10 -1.637 -3.340 -15.375 1.00 75.11 C ATOM 145 O PHE A 10 -1.798 -3.094 -16.570 1.00 2.34 O ATOM 146 CB PHE A 10 -0.209 -1.937 -13.892 1.00 70.22 C ATOM 147 CG PHE A 10 0.485 -0.820 -14.674 1.00 44.23 C ATOM 148 CD1 PHE A 10 1.166 -1.110 -15.814 1.00 11.20 C ATOM 149 CD2 PHE A 10 0.423 0.463 -14.226 1.00 42.21 C ATOM 150 CE1 PHE A 10 1.810 -0.073 -16.539 1.00 43.23 C ATOM 151 CE2 PHE A 10 1.068 1.500 -14.952 1.00 53.34 C ATOM 152 CZ PHE A 10 1.747 1.209 -16.093 1.00 42.41 C ATOM 0 H PHE A 10 -1.960 -2.334 -12.274 1.00 13.32 H new ATOM 0 HA PHE A 10 -2.100 -1.335 -14.804 1.00 72.43 H new ATOM 0 HB2 PHE A 10 -0.214 -1.677 -12.834 1.00 70.22 H new ATOM 0 HB3 PHE A 10 0.373 -2.853 -13.992 1.00 70.22 H new ATOM 0 HD1 PHE A 10 1.217 -2.129 -16.168 1.00 11.20 H new ATOM 0 HD2 PHE A 10 -0.116 0.693 -13.319 1.00 42.21 H new ATOM 0 HE1 PHE A 10 2.350 -0.303 -17.445 1.00 43.23 H new ATOM 0 HE2 PHE A 10 1.019 2.519 -14.597 1.00 53.34 H new ATOM 0 HZ PHE A 10 2.237 1.997 -16.645 1.00 42.41 H new ATOM 162 N ILE A 11 -1.447 -4.553 -14.877 1.00 62.12 N ATOM 163 CA ILE A 11 -1.416 -5.720 -15.742 1.00 45.21 C ATOM 164 C ILE A 11 -2.630 -5.693 -16.673 1.00 24.11 C ATOM 165 O ILE A 11 -2.507 -5.960 -17.867 1.00 4.32 O ATOM 166 CB ILE A 11 -1.306 -7.000 -14.911 1.00 64.23 C ATOM 167 CG1 ILE A 11 0.136 -7.242 -14.463 1.00 24.22 C ATOM 168 CG2 ILE A 11 -1.879 -8.198 -15.672 1.00 33.21 C ATOM 169 CD1 ILE A 11 0.196 -8.286 -13.348 1.00 43.25 C ATOM 0 H ILE A 11 -1.313 -4.753 -13.886 1.00 62.12 H new ATOM 0 HA ILE A 11 -0.529 -5.701 -16.375 1.00 45.21 H new ATOM 0 HB ILE A 11 -1.905 -6.874 -14.009 1.00 64.23 H new ATOM 0 HG12 ILE A 11 0.733 -7.576 -15.312 1.00 24.22 H new ATOM 0 HG13 ILE A 11 0.574 -6.307 -14.114 1.00 24.22 H new ATOM 0 HG21 ILE A 11 -1.789 -9.095 -15.060 1.00 33.21 H new ATOM 0 HG22 ILE A 11 -2.930 -8.017 -15.898 1.00 33.21 H new ATOM 0 HG23 ILE A 11 -1.327 -8.336 -16.602 1.00 33.21 H new ATOM 0 HD11 ILE A 11 1.233 -8.439 -13.048 1.00 43.25 H new ATOM 0 HD12 ILE A 11 -0.382 -7.938 -12.492 1.00 43.25 H new ATOM 0 HD13 ILE A 11 -0.220 -9.227 -13.708 1.00 43.25 H new ATOM 181 N MET A 12 -3.774 -5.368 -16.091 1.00 20.04 N ATOM 182 CA MET A 12 -5.010 -5.302 -16.852 1.00 73.11 C ATOM 183 C MET A 12 -5.685 -3.939 -16.686 1.00 2.53 C ATOM 184 O MET A 12 -6.910 -3.853 -16.620 1.00 61.15 O ATOM 185 CB MET A 12 -5.960 -6.404 -16.380 1.00 10.44 C ATOM 186 CG MET A 12 -5.562 -7.760 -16.966 1.00 20.33 C ATOM 187 SD MET A 12 -6.592 -9.047 -16.281 1.00 23.32 S ATOM 188 CE MET A 12 -6.410 -8.697 -14.541 1.00 74.43 C ATOM 0 H MET A 12 -3.872 -5.147 -15.100 1.00 20.04 H new ATOM 0 HA MET A 12 -4.773 -5.442 -17.907 1.00 73.11 H new ATOM 0 HB2 MET A 12 -5.949 -6.457 -15.291 1.00 10.44 H new ATOM 0 HB3 MET A 12 -6.980 -6.161 -16.677 1.00 10.44 H new ATOM 0 HG2 MET A 12 -5.664 -7.740 -18.051 1.00 20.33 H new ATOM 0 HG3 MET A 12 -4.514 -7.966 -16.748 1.00 20.33 H new ATOM 0 HE1 MET A 12 -6.592 -9.605 -13.966 1.00 74.43 H new ATOM 0 HE2 MET A 12 -5.399 -8.340 -14.345 1.00 74.43 H new ATOM 0 HE3 MET A 12 -7.128 -7.931 -14.247 1.00 74.43 H new ATOM 198 N LYS A 13 -4.856 -2.908 -16.623 1.00 3.23 N ATOM 199 CA LYS A 13 -5.357 -1.553 -16.467 1.00 42.12 C ATOM 200 C LYS A 13 -4.682 -0.641 -17.493 1.00 34.24 C ATOM 201 O LYS A 13 -5.300 -0.246 -18.480 1.00 23.10 O ATOM 202 CB LYS A 13 -5.188 -1.083 -15.021 1.00 13.54 C ATOM 203 CG LYS A 13 -5.964 0.211 -14.770 1.00 61.54 C ATOM 204 CD LYS A 13 -7.395 -0.087 -14.321 1.00 54.44 C ATOM 205 CE LYS A 13 -8.340 -0.174 -15.523 1.00 54.34 C ATOM 206 NZ LYS A 13 -9.710 0.228 -15.134 1.00 20.13 N1+ ATOM 0 H LYS A 13 -3.840 -2.983 -16.677 1.00 3.23 H new ATOM 0 HA LYS A 13 -6.428 -1.518 -16.667 1.00 42.12 H new ATOM 0 HB2 LYS A 13 -5.538 -1.859 -14.340 1.00 13.54 H new ATOM 0 HB3 LYS A 13 -4.131 -0.924 -14.808 1.00 13.54 H new ATOM 0 HG2 LYS A 13 -5.456 0.802 -14.008 1.00 61.54 H new ATOM 0 HG3 LYS A 13 -5.982 0.811 -15.680 1.00 61.54 H new ATOM 0 HD2 LYS A 13 -7.418 -1.025 -13.767 1.00 54.44 H new ATOM 0 HD3 LYS A 13 -7.737 0.693 -13.641 1.00 54.44 H new ATOM 0 HE2 LYS A 13 -7.979 0.471 -16.324 1.00 54.34 H new ATOM 0 HE3 LYS A 13 -8.350 -1.192 -15.913 1.00 54.34 H new ATOM 0 HZ1 LYS A 13 -10.338 0.164 -15.960 1.00 20.13 H new ATOM 0 HZ2 LYS A 13 -10.058 -0.404 -14.384 1.00 20.13 H new ATOM 0 HZ3 LYS A 13 -9.698 1.207 -14.784 1.00 20.13 H new ATOM 219 N CYS A 14 -3.421 -0.334 -17.226 1.00 0.42 N ATOM 220 CA CYS A 14 -2.654 0.523 -18.113 1.00 73.31 C ATOM 221 C CYS A 14 -1.895 -0.365 -19.101 1.00 61.22 C ATOM 222 O CYS A 14 -1.836 -0.064 -20.293 1.00 3.21 O ATOM 223 CB CYS A 14 -1.713 1.446 -17.335 1.00 23.12 C ATOM 224 SG CYS A 14 -2.281 1.877 -15.650 1.00 24.50 S ATOM 0 H CYS A 14 -2.911 -0.664 -16.407 1.00 0.42 H new ATOM 0 HA CYS A 14 -3.329 1.180 -18.661 1.00 73.31 H new ATOM 0 HB2 CYS A 14 -0.736 0.968 -17.263 1.00 23.12 H new ATOM 0 HB3 CYS A 14 -1.577 2.366 -17.904 1.00 23.12 H new ATOM 0 HG CYS A 14 -1.396 1.488 -14.781 1.00 24.50 H new ATOM 229 N SER A 15 -1.332 -1.440 -18.569 1.00 53.01 N ATOM 230 CA SER A 15 -0.580 -2.373 -19.390 1.00 44.23 C ATOM 231 C SER A 15 -1.278 -2.567 -20.738 1.00 0.15 C ATOM 232 O SER A 15 -0.622 -2.782 -21.756 1.00 13.43 O ATOM 233 CB SER A 15 -0.413 -3.719 -18.681 1.00 10.33 C ATOM 234 OG SER A 15 0.353 -4.638 -19.455 1.00 53.25 O ATOM 0 H SER A 15 -1.382 -1.685 -17.580 1.00 53.01 H new ATOM 0 HA SER A 15 0.412 -1.955 -19.559 1.00 44.23 H new ATOM 0 HB2 SER A 15 0.072 -3.564 -17.718 1.00 10.33 H new ATOM 0 HB3 SER A 15 -1.395 -4.146 -18.478 1.00 10.33 H new ATOM 0 HG SER A 15 0.438 -5.484 -18.968 1.00 53.25 H new ATOM 240 N GLN A 16 -2.600 -2.483 -20.701 1.00 52.31 N ATOM 241 CA GLN A 16 -3.394 -2.647 -21.907 1.00 24.53 C ATOM 242 C GLN A 16 -2.725 -1.934 -23.083 1.00 24.04 C ATOM 243 O GLN A 16 -2.522 -2.529 -24.141 1.00 52.22 O ATOM 244 CB GLN A 16 -4.821 -2.137 -21.696 1.00 34.30 C ATOM 245 CG GLN A 16 -5.741 -2.598 -22.829 1.00 64.14 C ATOM 246 CD GLN A 16 -5.573 -4.095 -23.095 1.00 25.22 C ATOM 247 OE1 GLN A 16 -5.980 -4.940 -22.316 1.00 33.12 O ATOM 248 NE2 GLN A 16 -4.954 -4.375 -24.239 1.00 5.30 N ATOM 0 H GLN A 16 -3.141 -2.304 -19.855 1.00 52.31 H new ATOM 0 HA GLN A 16 -3.454 -3.710 -22.139 1.00 24.53 H new ATOM 0 HB2 GLN A 16 -5.203 -2.500 -20.742 1.00 34.30 H new ATOM 0 HB3 GLN A 16 -4.818 -1.048 -21.645 1.00 34.30 H new ATOM 0 HG2 GLN A 16 -6.778 -2.385 -22.570 1.00 64.14 H new ATOM 0 HG3 GLN A 16 -5.517 -2.036 -23.736 1.00 64.14 H new ATOM 0 HE21 GLN A 16 -4.638 -3.619 -24.846 1.00 5.30 H new ATOM 0 HE22 GLN A 16 -4.795 -5.346 -24.509 1.00 5.30 H new ATOM 257 N CYS A 17 -2.400 -0.669 -22.861 1.00 3.32 N ATOM 258 CA CYS A 17 -1.758 0.131 -23.889 1.00 24.21 C ATOM 259 C CYS A 17 -0.323 0.421 -23.446 1.00 61.52 C ATOM 260 O CYS A 17 0.622 0.185 -24.197 1.00 14.11 O ATOM 261 CB CYS A 17 -2.539 1.416 -24.175 1.00 30.04 C ATOM 262 SG CYS A 17 -4.311 1.354 -23.724 1.00 4.14 S ATOM 0 H CYS A 17 -2.570 -0.178 -21.983 1.00 3.32 H new ATOM 0 HA CYS A 17 -1.742 -0.423 -24.828 1.00 24.21 H new ATOM 0 HB2 CYS A 17 -2.070 2.238 -23.634 1.00 30.04 H new ATOM 0 HB3 CYS A 17 -2.457 1.645 -25.237 1.00 30.04 H new ATOM 0 HG CYS A 17 -4.871 2.493 -24.007 1.00 4.14 H new ATOM 267 N HIS A 18 -0.205 0.931 -22.229 1.00 62.50 N ATOM 268 CA HIS A 18 1.099 1.257 -21.677 1.00 4.04 C ATOM 269 C HIS A 18 1.950 -0.012 -21.589 1.00 22.22 C ATOM 270 O HIS A 18 1.472 -1.106 -21.884 1.00 62.34 O ATOM 271 CB HIS A 18 0.957 1.971 -20.332 1.00 40.31 C ATOM 272 CG HIS A 18 0.499 3.405 -20.443 1.00 54.33 C ATOM 273 ND1 HIS A 18 1.303 4.412 -20.952 1.00 50.21 N ATOM 274 CD2 HIS A 18 -0.685 3.993 -20.107 1.00 25.02 C ATOM 275 CE1 HIS A 18 0.622 5.548 -20.918 1.00 64.43 C ATOM 276 NE2 HIS A 18 -0.609 5.286 -20.393 1.00 53.31 N ATOM 0 H HIS A 18 -0.991 1.127 -21.609 1.00 62.50 H new ATOM 0 HA HIS A 18 1.614 1.953 -22.338 1.00 4.04 H new ATOM 0 HB2 HIS A 18 0.248 1.421 -19.713 1.00 40.31 H new ATOM 0 HB3 HIS A 18 1.917 1.946 -19.816 1.00 40.31 H new ATOM 0 HD1 HIS A 18 2.257 4.298 -21.295 1.00 50.21 H new ATOM 0 HD2 HIS A 18 -1.540 3.490 -19.680 1.00 25.02 H new ATOM 0 HE1 HIS A 18 0.979 6.512 -21.248 1.00 64.43 H new ATOM 284 N THR A 19 3.196 0.177 -21.180 1.00 13.43 N ATOM 285 CA THR A 19 4.118 -0.937 -21.049 1.00 60.21 C ATOM 286 C THR A 19 5.275 -0.566 -20.121 1.00 32.10 C ATOM 287 O THR A 19 6.051 0.340 -20.422 1.00 32.41 O ATOM 288 CB THR A 19 4.571 -1.344 -22.453 1.00 74.25 C ATOM 289 OG1 THR A 19 4.728 -0.106 -23.139 1.00 32.15 O ATOM 290 CG2 THR A 19 3.473 -2.067 -23.236 1.00 61.22 C ATOM 0 H THR A 19 3.588 1.086 -20.935 1.00 13.43 H new ATOM 0 HA THR A 19 3.635 -1.797 -20.586 1.00 60.21 H new ATOM 0 HB THR A 19 5.448 -1.987 -22.379 1.00 74.25 H new ATOM 0 HG1 THR A 19 5.022 -0.276 -24.058 1.00 32.15 H new ATOM 0 HG21 THR A 19 3.847 -2.334 -24.225 1.00 61.22 H new ATOM 0 HG22 THR A 19 3.181 -2.971 -22.702 1.00 61.22 H new ATOM 0 HG23 THR A 19 2.608 -1.412 -23.339 1.00 61.22 H new ATOM 298 N VAL A 20 5.356 -1.284 -19.010 1.00 73.30 N ATOM 299 CA VAL A 20 6.407 -1.041 -18.036 1.00 62.41 C ATOM 300 C VAL A 20 7.641 -1.867 -18.405 1.00 42.31 C ATOM 301 O VAL A 20 8.129 -2.655 -17.598 1.00 23.32 O ATOM 302 CB VAL A 20 5.891 -1.336 -16.626 1.00 73.02 C ATOM 303 CG1 VAL A 20 4.526 -0.684 -16.394 1.00 11.15 C ATOM 304 CG2 VAL A 20 5.829 -2.842 -16.369 1.00 54.03 C ATOM 0 H VAL A 20 4.711 -2.034 -18.763 1.00 73.30 H new ATOM 0 HA VAL A 20 6.703 0.008 -18.048 1.00 62.41 H new ATOM 0 HB VAL A 20 6.595 -0.903 -15.915 1.00 73.02 H new ATOM 0 HG11 VAL A 20 4.182 -0.909 -15.384 1.00 11.15 H new ATOM 0 HG12 VAL A 20 4.613 0.396 -16.515 1.00 11.15 H new ATOM 0 HG13 VAL A 20 3.809 -1.074 -17.117 1.00 11.15 H new ATOM 0 HG21 VAL A 20 5.459 -3.024 -15.360 1.00 54.03 H new ATOM 0 HG22 VAL A 20 5.158 -3.307 -17.091 1.00 54.03 H new ATOM 0 HG23 VAL A 20 6.826 -3.270 -16.473 1.00 54.03 H new ATOM 314 N GLU A 21 8.108 -1.658 -19.628 1.00 2.20 N ATOM 315 CA GLU A 21 9.276 -2.373 -20.115 1.00 22.52 C ATOM 316 C GLU A 21 10.243 -1.406 -20.801 1.00 34.35 C ATOM 317 O GLU A 21 9.846 -0.654 -21.690 1.00 52.54 O ATOM 318 CB GLU A 21 8.870 -3.506 -21.059 1.00 61.35 C ATOM 319 CG GLU A 21 7.649 -3.114 -21.894 1.00 1.24 C ATOM 320 CD GLU A 21 7.378 -4.148 -22.988 1.00 73.45 C ATOM 321 OE1 GLU A 21 6.847 -5.230 -22.702 1.00 31.11 O ATOM 322 OE2 GLU A 21 7.740 -3.792 -24.175 1.00 44.15 O1- ATOM 0 H GLU A 21 7.699 -1.004 -20.296 1.00 2.20 H new ATOM 0 HA GLU A 21 9.786 -2.820 -19.262 1.00 22.52 H new ATOM 0 HB2 GLU A 21 9.703 -3.750 -21.719 1.00 61.35 H new ATOM 0 HB3 GLU A 21 8.647 -4.403 -20.481 1.00 61.35 H new ATOM 0 HG2 GLU A 21 6.776 -3.025 -21.248 1.00 1.24 H new ATOM 0 HG3 GLU A 21 7.812 -2.136 -22.346 1.00 1.24 H new ATOM 330 N LYS A 22 11.491 -1.458 -20.363 1.00 34.22 N ATOM 331 CA LYS A 22 12.518 -0.596 -20.926 1.00 44.40 C ATOM 332 C LYS A 22 12.331 -0.510 -22.442 1.00 4.32 C ATOM 333 O LYS A 22 11.974 -1.497 -23.083 1.00 2.32 O ATOM 334 CB LYS A 22 13.908 -1.073 -20.503 1.00 74.13 C ATOM 335 CG LYS A 22 15.000 -0.204 -21.130 1.00 50.22 C ATOM 336 CD LYS A 22 15.373 0.959 -20.208 1.00 63.22 C ATOM 337 CE LYS A 22 14.542 2.202 -20.531 1.00 63.42 C ATOM 338 NZ LYS A 22 15.187 3.415 -19.977 1.00 43.00 N1+ ATOM 0 H LYS A 22 11.816 -2.083 -19.625 1.00 34.22 H new ATOM 0 HA LYS A 22 12.422 0.417 -20.535 1.00 44.40 H new ATOM 0 HB2 LYS A 22 13.992 -1.042 -19.417 1.00 74.13 H new ATOM 0 HB3 LYS A 22 14.047 -2.111 -20.804 1.00 74.13 H new ATOM 0 HG2 LYS A 22 15.883 -0.811 -21.330 1.00 50.22 H new ATOM 0 HG3 LYS A 22 14.655 0.184 -22.089 1.00 50.22 H new ATOM 0 HD2 LYS A 22 15.213 0.670 -19.169 1.00 63.22 H new ATOM 0 HD3 LYS A 22 16.433 1.188 -20.316 1.00 63.22 H new ATOM 0 HE2 LYS A 22 14.432 2.302 -21.611 1.00 63.42 H new ATOM 0 HE3 LYS A 22 13.540 2.094 -20.117 1.00 63.42 H new ATOM 0 HZ1 LYS A 22 14.610 4.250 -20.205 1.00 43.00 H new ATOM 0 HZ2 LYS A 22 15.270 3.323 -18.944 1.00 43.00 H new ATOM 0 HZ3 LYS A 22 16.134 3.525 -20.392 1.00 43.00 H new ATOM 351 N GLY A 23 12.583 0.678 -22.971 1.00 52.14 N ATOM 352 CA GLY A 23 12.448 0.905 -24.399 1.00 30.32 C ATOM 353 C GLY A 23 11.154 0.286 -24.933 1.00 2.14 C ATOM 354 O GLY A 23 11.139 -0.287 -26.022 1.00 23.14 O ATOM 0 H GLY A 23 12.880 1.494 -22.436 1.00 52.14 H new ATOM 0 HA2 GLY A 23 12.454 1.976 -24.603 1.00 30.32 H new ATOM 0 HA3 GLY A 23 13.303 0.476 -24.921 1.00 30.32 H new ATOM 358 N GLY A 24 10.100 0.423 -24.142 1.00 32.53 N ATOM 359 CA GLY A 24 8.806 -0.116 -24.521 1.00 33.34 C ATOM 360 C GLY A 24 8.428 0.311 -25.941 1.00 72.53 C ATOM 361 O GLY A 24 9.202 0.990 -26.615 1.00 13.20 O ATOM 0 H GLY A 24 10.116 0.900 -23.240 1.00 32.53 H new ATOM 0 HA2 GLY A 24 8.829 -1.204 -24.459 1.00 33.34 H new ATOM 0 HA3 GLY A 24 8.046 0.227 -23.820 1.00 33.34 H new ATOM 365 N LYS A 25 7.240 -0.104 -26.353 1.00 11.42 N ATOM 366 CA LYS A 25 6.751 0.228 -27.681 1.00 2.02 C ATOM 367 C LYS A 25 6.007 1.564 -27.626 1.00 31.52 C ATOM 368 O LYS A 25 5.840 2.143 -26.555 1.00 72.44 O ATOM 369 CB LYS A 25 5.911 -0.920 -28.245 1.00 24.30 C ATOM 370 CG LYS A 25 6.405 -2.269 -27.718 1.00 22.43 C ATOM 371 CD LYS A 25 5.519 -2.768 -26.574 1.00 53.42 C ATOM 372 CE LYS A 25 5.091 -4.219 -26.804 1.00 11.53 C ATOM 373 NZ LYS A 25 4.631 -4.830 -25.537 1.00 63.31 N1+ ATOM 0 H LYS A 25 6.601 -0.667 -25.791 1.00 11.42 H new ATOM 0 HA LYS A 25 7.584 0.354 -28.373 1.00 2.02 H new ATOM 0 HB2 LYS A 25 4.865 -0.779 -27.971 1.00 24.30 H new ATOM 0 HB3 LYS A 25 5.960 -0.911 -29.334 1.00 24.30 H new ATOM 0 HG2 LYS A 25 6.408 -3.000 -28.526 1.00 22.43 H new ATOM 0 HG3 LYS A 25 7.434 -2.173 -27.371 1.00 22.43 H new ATOM 0 HD2 LYS A 25 6.059 -2.690 -25.630 1.00 53.42 H new ATOM 0 HD3 LYS A 25 4.636 -2.134 -26.490 1.00 53.42 H new ATOM 0 HE2 LYS A 25 4.291 -4.256 -27.544 1.00 11.53 H new ATOM 0 HE3 LYS A 25 5.926 -4.791 -27.209 1.00 11.53 H new ATOM 0 HZ1 LYS A 25 4.344 -5.815 -25.710 1.00 63.31 H new ATOM 0 HZ2 LYS A 25 5.404 -4.812 -24.842 1.00 63.31 H new ATOM 0 HZ3 LYS A 25 3.821 -4.293 -25.167 1.00 63.31 H new ATOM 386 N HIS A 26 5.578 2.014 -28.797 1.00 25.51 N ATOM 387 CA HIS A 26 4.856 3.271 -28.896 1.00 74.44 C ATOM 388 C HIS A 26 3.423 3.005 -29.357 1.00 45.22 C ATOM 389 O HIS A 26 2.846 3.798 -30.100 1.00 2.22 O ATOM 390 CB HIS A 26 5.599 4.254 -29.805 1.00 11.11 C ATOM 391 CG HIS A 26 6.731 4.985 -29.124 1.00 12.42 C ATOM 392 ND1 HIS A 26 7.042 4.807 -27.788 1.00 62.23 N ATOM 393 CD2 HIS A 26 7.622 5.896 -29.609 1.00 45.21 C ATOM 394 CE1 HIS A 26 8.075 5.582 -27.493 1.00 75.04 C ATOM 395 NE2 HIS A 26 8.433 6.256 -28.622 1.00 43.14 N ATOM 0 H HIS A 26 5.717 1.531 -29.684 1.00 25.51 H new ATOM 0 HA HIS A 26 4.803 3.742 -27.915 1.00 74.44 H new ATOM 0 HB2 HIS A 26 5.995 3.711 -30.663 1.00 11.11 H new ATOM 0 HB3 HIS A 26 4.888 4.985 -30.191 1.00 11.11 H new ATOM 0 HD2 HIS A 26 7.661 6.263 -30.624 1.00 45.21 H new ATOM 0 HE1 HIS A 26 8.550 5.665 -26.527 1.00 75.04 H new ATOM 0 HE2 HIS A 26 9.198 6.927 -28.696 1.00 43.14 H new ATOM 403 N LYS A 27 2.886 1.883 -28.897 1.00 44.03 N ATOM 404 CA LYS A 27 1.531 1.502 -29.254 1.00 53.42 C ATOM 405 C LYS A 27 0.566 2.613 -28.837 1.00 34.44 C ATOM 406 O LYS A 27 0.987 3.737 -28.568 1.00 33.44 O ATOM 407 CB LYS A 27 1.186 0.134 -28.659 1.00 74.10 C ATOM 408 CG LYS A 27 2.187 -0.929 -29.114 1.00 42.43 C ATOM 409 CD LYS A 27 1.825 -1.467 -30.500 1.00 54.03 C ATOM 410 CE LYS A 27 0.614 -2.399 -30.427 1.00 14.52 C ATOM 411 NZ LYS A 27 -0.159 -2.343 -31.688 1.00 5.14 N1+ ATOM 0 H LYS A 27 3.365 1.227 -28.281 1.00 44.03 H new ATOM 0 HA LYS A 27 1.439 1.388 -30.334 1.00 53.42 H new ATOM 0 HB2 LYS A 27 1.186 0.196 -27.571 1.00 74.10 H new ATOM 0 HB3 LYS A 27 0.180 -0.155 -28.962 1.00 74.10 H new ATOM 0 HG2 LYS A 27 3.190 -0.503 -29.136 1.00 42.43 H new ATOM 0 HG3 LYS A 27 2.204 -1.748 -28.395 1.00 42.43 H new ATOM 0 HD2 LYS A 27 1.609 -0.636 -31.172 1.00 54.03 H new ATOM 0 HD3 LYS A 27 2.676 -2.003 -30.920 1.00 54.03 H new ATOM 0 HE2 LYS A 27 0.945 -3.421 -30.241 1.00 14.52 H new ATOM 0 HE3 LYS A 27 -0.023 -2.113 -29.590 1.00 14.52 H new ATOM 0 HZ1 LYS A 27 -0.978 -2.981 -31.622 1.00 5.14 H new ATOM 0 HZ2 LYS A 27 -0.490 -1.370 -31.849 1.00 5.14 H new ATOM 0 HZ3 LYS A 27 0.447 -2.638 -32.480 1.00 5.14 H new ATOM 424 N THR A 28 -0.711 2.263 -28.797 1.00 74.51 N ATOM 425 CA THR A 28 -1.739 3.217 -28.419 1.00 2.42 C ATOM 426 C THR A 28 -1.237 4.121 -27.292 1.00 41.14 C ATOM 427 O THR A 28 -1.644 5.279 -27.192 1.00 32.05 O ATOM 428 CB THR A 28 -3.000 2.433 -28.052 1.00 52.12 C ATOM 429 OG1 THR A 28 -3.360 1.768 -29.261 1.00 43.31 O ATOM 430 CG2 THR A 28 -4.193 3.345 -27.760 1.00 32.01 C ATOM 0 H THR A 28 -1.057 1.330 -29.021 1.00 74.51 H new ATOM 0 HA THR A 28 -1.983 3.884 -29.246 1.00 2.42 H new ATOM 0 HB THR A 28 -2.798 1.809 -27.181 1.00 52.12 H new ATOM 0 HG1 THR A 28 -4.168 1.234 -29.113 1.00 43.31 H new ATOM 0 HG21 THR A 28 -5.061 2.738 -27.505 1.00 32.01 H new ATOM 0 HG22 THR A 28 -3.952 4.003 -26.925 1.00 32.01 H new ATOM 0 HG23 THR A 28 -4.416 3.945 -28.642 1.00 32.01 H new ATOM 438 N GLY A 29 -0.360 3.560 -26.472 1.00 64.54 N ATOM 439 CA GLY A 29 0.202 4.302 -25.356 1.00 55.30 C ATOM 440 C GLY A 29 1.730 4.247 -25.375 1.00 1.42 C ATOM 441 O GLY A 29 2.315 3.314 -25.921 1.00 41.14 O ATOM 0 H GLY A 29 -0.025 2.600 -26.558 1.00 64.54 H new ATOM 0 HA2 GLY A 29 -0.129 5.340 -25.401 1.00 55.30 H new ATOM 0 HA3 GLY A 29 -0.169 3.890 -24.417 1.00 55.30 H new ATOM 445 N PRO A 30 2.350 5.288 -24.756 1.00 74.54 N ATOM 446 CA PRO A 30 3.800 5.366 -24.696 1.00 74.11 C ATOM 447 C PRO A 30 4.361 4.377 -23.673 1.00 24.32 C ATOM 448 O PRO A 30 3.612 3.792 -22.894 1.00 24.23 O ATOM 449 CB PRO A 30 4.102 6.815 -24.349 1.00 41.30 C ATOM 450 CG PRO A 30 2.814 7.381 -23.771 1.00 54.01 C ATOM 451 CD PRO A 30 1.691 6.411 -24.098 1.00 12.13 C ATOM 0 HA PRO A 30 4.275 5.088 -25.637 1.00 74.11 H new ATOM 0 HB2 PRO A 30 4.917 6.883 -23.628 1.00 41.30 H new ATOM 0 HB3 PRO A 30 4.412 7.372 -25.233 1.00 41.30 H new ATOM 0 HG2 PRO A 30 2.904 7.511 -22.693 1.00 54.01 H new ATOM 0 HG3 PRO A 30 2.605 8.364 -24.194 1.00 54.01 H new ATOM 0 HD2 PRO A 30 1.170 6.091 -23.196 1.00 12.13 H new ATOM 0 HD3 PRO A 30 0.948 6.871 -24.749 1.00 12.13 H new ATOM 459 N ASN A 31 5.677 4.220 -23.711 1.00 21.33 N ATOM 460 CA ASN A 31 6.348 3.311 -22.796 1.00 33.24 C ATOM 461 C ASN A 31 6.472 3.975 -21.423 1.00 11.33 C ATOM 462 O ASN A 31 6.721 5.176 -21.331 1.00 70.42 O ATOM 463 CB ASN A 31 7.758 2.976 -23.288 1.00 44.34 C ATOM 464 CG ASN A 31 8.576 2.299 -22.187 1.00 45.33 C ATOM 465 OD1 ASN A 31 9.629 2.764 -21.785 1.00 35.40 O ATOM 466 ND2 ASN A 31 8.035 1.174 -21.725 1.00 71.13 N ATOM 0 H ASN A 31 6.296 4.706 -24.360 1.00 21.33 H new ATOM 0 HA ASN A 31 5.759 2.396 -22.738 1.00 33.24 H new ATOM 0 HB2 ASN A 31 7.698 2.320 -24.157 1.00 44.34 H new ATOM 0 HB3 ASN A 31 8.261 3.888 -23.611 1.00 44.34 H new ATOM 0 HD21 ASN A 31 8.506 0.646 -20.990 1.00 71.13 H new ATOM 0 HD22 ASN A 31 7.150 0.840 -22.106 1.00 71.13 H new ATOM 473 N LEU A 32 6.292 3.165 -20.391 1.00 25.52 N ATOM 474 CA LEU A 32 6.379 3.659 -19.028 1.00 3.12 C ATOM 475 C LEU A 32 7.506 2.925 -18.295 1.00 43.31 C ATOM 476 O LEU A 32 7.247 2.082 -17.438 1.00 21.41 O ATOM 477 CB LEU A 32 5.022 3.553 -18.330 1.00 53.22 C ATOM 478 CG LEU A 32 3.916 4.460 -18.874 1.00 2.33 C ATOM 479 CD1 LEU A 32 2.624 4.288 -18.075 1.00 33.31 C ATOM 480 CD2 LEU A 32 4.375 5.919 -18.916 1.00 64.04 C ATOM 0 H LEU A 32 6.086 2.169 -20.471 1.00 25.52 H new ATOM 0 HA LEU A 32 6.631 4.719 -19.024 1.00 3.12 H new ATOM 0 HB2 LEU A 32 4.682 2.519 -18.395 1.00 53.22 H new ATOM 0 HB3 LEU A 32 5.161 3.777 -17.272 1.00 53.22 H new ATOM 0 HG LEU A 32 3.702 4.160 -19.900 1.00 2.33 H new ATOM 0 HD11 LEU A 32 1.854 4.944 -18.482 1.00 33.31 H new ATOM 0 HD12 LEU A 32 2.290 3.252 -18.141 1.00 33.31 H new ATOM 0 HD13 LEU A 32 2.805 4.545 -17.031 1.00 33.31 H new ATOM 0 HD21 LEU A 32 3.571 6.542 -19.306 1.00 64.04 H new ATOM 0 HD22 LEU A 32 4.633 6.248 -17.910 1.00 64.04 H new ATOM 0 HD23 LEU A 32 5.248 6.007 -19.562 1.00 64.04 H new ATOM 492 N HIS A 33 8.730 3.272 -18.661 1.00 23.30 N ATOM 493 CA HIS A 33 9.897 2.658 -18.050 1.00 74.15 C ATOM 494 C HIS A 33 10.879 3.744 -17.611 1.00 20.01 C ATOM 495 O HIS A 33 11.975 3.855 -18.160 1.00 41.10 O ATOM 496 CB HIS A 33 10.528 1.633 -18.995 1.00 31.34 C ATOM 497 CG HIS A 33 11.338 0.569 -18.295 1.00 51.32 C ATOM 498 ND1 HIS A 33 10.994 -0.684 -17.880 1.00 11.24 N flip ATOM 499 CD2 HIS A 33 12.666 0.744 -17.947 1.00 72.42 C flip ATOM 500 CE1 HIS A 33 12.055 -1.245 -17.311 1.00 33.45 C flip ATOM 501 NE2 HIS A 33 13.092 -0.360 -17.352 1.00 33.01 N flip ATOM 0 H HIS A 33 8.940 3.971 -19.374 1.00 23.30 H new ATOM 0 HA HIS A 33 9.598 2.108 -17.158 1.00 74.15 H new ATOM 0 HB2 HIS A 33 9.738 1.153 -19.573 1.00 31.34 H new ATOM 0 HB3 HIS A 33 11.170 2.155 -19.705 1.00 31.34 H new ATOM 0 HD2 HIS A 33 13.255 1.631 -18.130 1.00 72.42 H new ATOM 0 HE1 HIS A 33 12.091 -2.237 -16.886 1.00 33.45 H new ATOM 0 HE2 HIS A 33 14.031 -0.520 -16.988 1.00 33.01 H new ATOM 509 N GLY A 34 10.453 4.520 -16.625 1.00 13.14 N ATOM 510 CA GLY A 34 11.282 5.594 -16.106 1.00 20.04 C ATOM 511 C GLY A 34 10.592 6.949 -16.275 1.00 32.42 C ATOM 512 O GLY A 34 11.197 7.992 -16.031 1.00 44.34 O ATOM 0 H GLY A 34 9.544 4.426 -16.172 1.00 13.14 H new ATOM 0 HA2 GLY A 34 11.493 5.418 -15.051 1.00 20.04 H new ATOM 0 HA3 GLY A 34 12.240 5.602 -16.626 1.00 20.04 H new ATOM 516 N LEU A 35 9.336 6.890 -16.690 1.00 32.24 N ATOM 517 CA LEU A 35 8.556 8.100 -16.895 1.00 31.25 C ATOM 518 C LEU A 35 8.561 8.927 -15.608 1.00 52.04 C ATOM 519 O LEU A 35 8.304 10.130 -15.638 1.00 22.11 O ATOM 520 CB LEU A 35 7.154 7.755 -17.399 1.00 41.23 C ATOM 521 CG LEU A 35 6.031 8.695 -16.956 1.00 31.03 C ATOM 522 CD1 LEU A 35 5.754 8.550 -15.458 1.00 5.42 C ATOM 523 CD2 LEU A 35 6.344 10.142 -17.343 1.00 1.05 C ATOM 0 H LEU A 35 8.838 6.023 -16.890 1.00 32.24 H new ATOM 0 HA LEU A 35 9.006 8.717 -17.673 1.00 31.25 H new ATOM 0 HB2 LEU A 35 7.176 7.736 -18.489 1.00 41.23 H new ATOM 0 HB3 LEU A 35 6.908 6.746 -17.067 1.00 41.23 H new ATOM 0 HG LEU A 35 5.119 8.410 -17.481 1.00 31.03 H new ATOM 0 HD11 LEU A 35 4.952 9.229 -15.169 1.00 5.42 H new ATOM 0 HD12 LEU A 35 5.457 7.524 -15.241 1.00 5.42 H new ATOM 0 HD13 LEU A 35 6.656 8.794 -14.896 1.00 5.42 H new ATOM 0 HD21 LEU A 35 5.530 10.790 -17.017 1.00 1.05 H new ATOM 0 HD22 LEU A 35 7.271 10.455 -16.863 1.00 1.05 H new ATOM 0 HD23 LEU A 35 6.453 10.214 -18.425 1.00 1.05 H new ATOM 535 N PHE A 36 8.855 8.250 -14.507 1.00 20.52 N ATOM 536 CA PHE A 36 8.895 8.908 -13.211 1.00 73.41 C ATOM 537 C PHE A 36 10.218 9.653 -13.017 1.00 62.01 C ATOM 538 O PHE A 36 11.170 9.101 -12.466 1.00 45.32 O ATOM 539 CB PHE A 36 8.779 7.813 -12.150 1.00 3.55 C ATOM 540 CG PHE A 36 7.368 7.241 -11.997 1.00 31.21 C ATOM 541 CD1 PHE A 36 6.810 6.526 -13.011 1.00 21.25 C ATOM 542 CD2 PHE A 36 6.671 7.450 -10.848 1.00 55.31 C ATOM 543 CE1 PHE A 36 5.500 5.996 -12.868 1.00 11.12 C ATOM 544 CE2 PHE A 36 5.361 6.921 -10.705 1.00 43.54 C ATOM 545 CZ PHE A 36 4.803 6.205 -11.719 1.00 24.50 C ATOM 0 H PHE A 36 9.068 7.253 -14.486 1.00 20.52 H new ATOM 0 HA PHE A 36 8.085 9.634 -13.136 1.00 73.41 H new ATOM 0 HB2 PHE A 36 9.463 7.003 -12.403 1.00 3.55 H new ATOM 0 HB3 PHE A 36 9.103 8.216 -11.190 1.00 3.55 H new ATOM 0 HD1 PHE A 36 7.363 6.361 -13.924 1.00 21.25 H new ATOM 0 HD2 PHE A 36 7.114 8.019 -10.044 1.00 55.31 H new ATOM 0 HE1 PHE A 36 5.057 5.427 -13.672 1.00 11.12 H new ATOM 0 HE2 PHE A 36 4.808 7.087 -9.792 1.00 43.54 H new ATOM 0 HZ PHE A 36 3.807 5.803 -11.611 1.00 24.50 H new ATOM 555 N GLY A 37 10.234 10.894 -13.478 1.00 72.03 N ATOM 556 CA GLY A 37 11.424 11.720 -13.362 1.00 54.23 C ATOM 557 C GLY A 37 11.730 12.431 -14.682 1.00 11.10 C ATOM 558 O GLY A 37 12.620 13.278 -14.743 1.00 34.13 O ATOM 0 H GLY A 37 9.442 11.348 -13.933 1.00 72.03 H new ATOM 0 HA2 GLY A 37 11.283 12.458 -12.572 1.00 54.23 H new ATOM 0 HA3 GLY A 37 12.274 11.101 -13.073 1.00 54.23 H new ATOM 562 N ARG A 38 10.977 12.058 -15.706 1.00 20.32 N ATOM 563 CA ARG A 38 11.157 12.648 -17.021 1.00 21.31 C ATOM 564 C ARG A 38 10.022 13.629 -17.323 1.00 12.13 C ATOM 565 O ARG A 38 8.887 13.420 -16.896 1.00 64.01 O ATOM 566 CB ARG A 38 11.195 11.573 -18.108 1.00 72.11 C ATOM 567 CG ARG A 38 9.786 11.065 -18.427 1.00 4.21 C ATOM 568 CD ARG A 38 9.822 10.002 -19.526 1.00 70.22 C ATOM 569 NE ARG A 38 8.444 9.669 -19.953 1.00 24.34 N ATOM 570 CZ ARG A 38 8.099 8.516 -20.564 1.00 4.41 C ATOM 571 NH1 ARG A 38 9.030 7.573 -20.826 1.00 32.22 N ATOM 572 NH2 ARG A 38 6.837 8.324 -20.903 1.00 41.32 N1+ ATOM 0 H ARG A 38 10.241 11.354 -15.651 1.00 20.32 H new ATOM 0 HA ARG A 38 12.109 13.178 -17.018 1.00 21.31 H new ATOM 0 HB2 ARG A 38 11.652 11.979 -19.010 1.00 72.11 H new ATOM 0 HB3 ARG A 38 11.820 10.742 -17.781 1.00 72.11 H new ATOM 0 HG2 ARG A 38 9.334 10.648 -17.527 1.00 4.21 H new ATOM 0 HG3 ARG A 38 9.158 11.898 -18.742 1.00 4.21 H new ATOM 0 HD2 ARG A 38 10.397 10.366 -20.377 1.00 70.22 H new ATOM 0 HD3 ARG A 38 10.325 9.107 -19.161 1.00 70.22 H new ATOM 0 HE ARG A 38 7.709 10.354 -19.774 1.00 24.34 H new ATOM 0 HH11 ARG A 38 10.003 7.729 -20.562 1.00 32.22 H new ATOM 0 HH12 ARG A 38 8.760 6.705 -21.288 1.00 32.22 H new ATOM 0 HH21 ARG A 38 6.140 9.041 -20.702 1.00 41.32 H new ATOM 0 HH22 ARG A 38 6.559 7.458 -21.365 1.00 41.32 H new ATOM 585 N LYS A 39 10.366 14.677 -18.056 1.00 13.22 N ATOM 586 CA LYS A 39 9.391 15.690 -18.420 1.00 74.33 C ATOM 587 C LYS A 39 8.203 15.021 -19.115 1.00 3.51 C ATOM 588 O LYS A 39 8.308 13.885 -19.574 1.00 62.53 O ATOM 589 CB LYS A 39 10.048 16.794 -19.251 1.00 1.41 C ATOM 590 CG LYS A 39 9.448 18.162 -18.918 1.00 54.01 C ATOM 591 CD LYS A 39 10.239 18.852 -17.804 1.00 44.05 C ATOM 592 CE LYS A 39 11.411 19.650 -18.378 1.00 41.14 C ATOM 593 NZ LYS A 39 12.440 19.879 -17.340 1.00 34.23 N1+ ATOM 0 H LYS A 39 11.308 14.847 -18.408 1.00 13.22 H new ATOM 0 HA LYS A 39 9.004 16.183 -17.529 1.00 74.33 H new ATOM 0 HB2 LYS A 39 11.121 16.808 -19.061 1.00 1.41 H new ATOM 0 HB3 LYS A 39 9.915 16.583 -20.312 1.00 1.41 H new ATOM 0 HG2 LYS A 39 9.446 18.789 -19.810 1.00 54.01 H new ATOM 0 HG3 LYS A 39 8.409 18.042 -18.611 1.00 54.01 H new ATOM 0 HD2 LYS A 39 9.581 19.517 -17.244 1.00 44.05 H new ATOM 0 HD3 LYS A 39 10.611 18.106 -17.102 1.00 44.05 H new ATOM 0 HE2 LYS A 39 11.848 19.112 -19.219 1.00 41.14 H new ATOM 0 HE3 LYS A 39 11.054 20.606 -18.762 1.00 41.14 H new ATOM 0 HZ1 LYS A 39 13.228 20.422 -17.747 1.00 34.23 H new ATOM 0 HZ2 LYS A 39 12.024 20.412 -16.550 1.00 34.23 H new ATOM 0 HZ3 LYS A 39 12.792 18.964 -16.993 1.00 34.23 H new ATOM 606 N THR A 40 7.101 15.755 -19.170 1.00 65.31 N ATOM 607 CA THR A 40 5.895 15.248 -19.802 1.00 31.43 C ATOM 608 C THR A 40 6.031 15.293 -21.325 1.00 44.43 C ATOM 609 O THR A 40 6.374 16.329 -21.891 1.00 33.44 O ATOM 610 CB THR A 40 4.708 16.056 -19.274 1.00 11.21 C ATOM 611 OG1 THR A 40 5.210 17.386 -19.179 1.00 13.44 O ATOM 612 CG2 THR A 40 4.346 15.692 -17.833 1.00 70.11 C ATOM 0 H THR A 40 7.018 16.697 -18.787 1.00 65.31 H new ATOM 0 HA THR A 40 5.730 14.200 -19.553 1.00 31.43 H new ATOM 0 HB THR A 40 3.843 15.894 -19.918 1.00 11.21 H new ATOM 0 HG1 THR A 40 5.667 17.624 -20.013 1.00 13.44 H new ATOM 0 HG21 THR A 40 3.498 16.294 -17.508 1.00 70.11 H new ATOM 0 HG22 THR A 40 4.083 14.636 -17.780 1.00 70.11 H new ATOM 0 HG23 THR A 40 5.199 15.886 -17.183 1.00 70.11 H new ATOM 620 N GLY A 41 5.756 14.154 -21.946 1.00 74.22 N ATOM 621 CA GLY A 41 5.844 14.051 -23.393 1.00 71.51 C ATOM 622 C GLY A 41 7.264 14.346 -23.878 1.00 41.34 C ATOM 623 O GLY A 41 7.499 15.348 -24.550 1.00 43.02 O ATOM 0 H GLY A 41 5.472 13.296 -21.474 1.00 74.22 H new ATOM 0 HA2 GLY A 41 5.549 13.050 -23.709 1.00 71.51 H new ATOM 0 HA3 GLY A 41 5.146 14.750 -23.854 1.00 71.51 H new ATOM 627 N GLN A 42 8.176 13.453 -23.519 1.00 44.12 N ATOM 628 CA GLN A 42 9.567 13.606 -23.910 1.00 73.11 C ATOM 629 C GLN A 42 9.966 12.502 -24.892 1.00 50.22 C ATOM 630 O GLN A 42 10.834 12.705 -25.740 1.00 50.14 O ATOM 631 CB GLN A 42 10.484 13.607 -22.686 1.00 52.53 C ATOM 632 CG GLN A 42 11.956 13.626 -23.102 1.00 41.42 C ATOM 633 CD GLN A 42 12.206 14.682 -24.181 1.00 13.22 C ATOM 634 OE1 GLN A 42 11.523 15.809 -24.004 1.00 42.03 O flip ATOM 635 NE2 GLN A 42 12.969 14.486 -25.113 1.00 33.53 N flip ATOM 0 H GLN A 42 7.978 12.622 -22.962 1.00 44.12 H new ATOM 0 HA GLN A 42 9.680 14.569 -24.409 1.00 73.11 H new ATOM 0 HB2 GLN A 42 10.267 14.476 -22.066 1.00 52.53 H new ATOM 0 HB3 GLN A 42 10.286 12.724 -22.078 1.00 52.53 H new ATOM 0 HG2 GLN A 42 12.581 13.833 -22.233 1.00 41.42 H new ATOM 0 HG3 GLN A 42 12.245 12.644 -23.475 1.00 41.42 H new ATOM 0 HE21 GLN A 42 13.463 13.597 -25.190 1.00 33.53 H new ATOM 0 HE22 GLN A 42 13.113 15.211 -25.815 1.00 33.53 H new ATOM 644 N ALA A 43 9.313 11.358 -24.745 1.00 21.43 N ATOM 645 CA ALA A 43 9.590 10.222 -25.608 1.00 13.43 C ATOM 646 C ALA A 43 9.789 10.715 -27.043 1.00 25.42 C ATOM 647 O ALA A 43 8.868 11.260 -27.650 1.00 21.44 O ATOM 648 CB ALA A 43 8.452 9.206 -25.495 1.00 52.04 C ATOM 0 H ALA A 43 8.593 11.194 -24.041 1.00 21.43 H new ATOM 0 HA ALA A 43 10.508 9.721 -25.300 1.00 13.43 H new ATOM 0 HB1 ALA A 43 8.659 8.354 -26.142 1.00 52.04 H new ATOM 0 HB2 ALA A 43 8.369 8.866 -24.463 1.00 52.04 H new ATOM 0 HB3 ALA A 43 7.515 9.673 -25.799 1.00 52.04 H new ATOM 654 N PRO A 44 11.030 10.500 -27.557 1.00 54.23 N ATOM 655 CA PRO A 44 11.362 10.916 -28.909 1.00 32.32 C ATOM 656 C PRO A 44 10.734 9.977 -29.942 1.00 45.34 C ATOM 657 O PRO A 44 10.436 8.824 -29.637 1.00 73.41 O ATOM 658 CB PRO A 44 12.882 10.920 -28.957 1.00 53.35 C ATOM 659 CG PRO A 44 13.338 10.065 -27.786 1.00 23.34 C ATOM 660 CD PRO A 44 12.145 9.858 -26.867 1.00 50.12 C ATOM 0 HA PRO A 44 10.966 11.901 -29.155 1.00 32.32 H new ATOM 0 HB2 PRO A 44 13.244 10.514 -29.901 1.00 53.35 H new ATOM 0 HB3 PRO A 44 13.273 11.934 -28.876 1.00 53.35 H new ATOM 0 HG2 PRO A 44 13.719 9.107 -28.139 1.00 23.34 H new ATOM 0 HG3 PRO A 44 14.152 10.554 -27.251 1.00 23.34 H new ATOM 0 HD2 PRO A 44 11.951 8.798 -26.702 1.00 50.12 H new ATOM 0 HD3 PRO A 44 12.316 10.307 -25.888 1.00 50.12 H new ATOM 668 N GLY A 45 10.552 10.508 -31.142 1.00 22.12 N ATOM 669 CA GLY A 45 9.965 9.731 -32.221 1.00 73.44 C ATOM 670 C GLY A 45 8.449 9.609 -32.047 1.00 55.25 C ATOM 671 O GLY A 45 7.688 9.948 -32.951 1.00 72.31 O ATOM 0 H GLY A 45 10.800 11.465 -31.391 1.00 22.12 H new ATOM 0 HA2 GLY A 45 10.188 10.204 -33.177 1.00 73.44 H new ATOM 0 HA3 GLY A 45 10.413 8.738 -32.244 1.00 73.44 H new ATOM 675 N TYR A 46 8.058 9.124 -30.879 1.00 11.53 N ATOM 676 CA TYR A 46 6.647 8.952 -30.573 1.00 1.24 C ATOM 677 C TYR A 46 5.825 10.126 -31.108 1.00 3.31 C ATOM 678 O TYR A 46 6.368 11.194 -31.386 1.00 11.32 O ATOM 679 CB TYR A 46 6.545 8.926 -29.048 1.00 41.13 C ATOM 680 CG TYR A 46 5.185 8.462 -28.522 1.00 1.24 C ATOM 681 CD1 TYR A 46 4.508 7.446 -29.165 1.00 44.14 C ATOM 682 CD2 TYR A 46 4.635 9.060 -27.407 1.00 52.02 C ATOM 683 CE1 TYR A 46 3.227 7.009 -28.671 1.00 65.11 C ATOM 684 CE2 TYR A 46 3.355 8.623 -26.913 1.00 32.21 C ATOM 685 CZ TYR A 46 2.715 7.619 -27.570 1.00 34.24 C ATOM 686 OH TYR A 46 1.506 7.206 -27.103 1.00 1.12 O ATOM 0 H TYR A 46 8.693 8.844 -30.132 1.00 11.53 H new ATOM 0 HA TYR A 46 6.263 8.041 -31.032 1.00 1.24 H new ATOM 0 HB2 TYR A 46 7.319 8.268 -28.654 1.00 41.13 H new ATOM 0 HB3 TYR A 46 6.750 9.925 -28.663 1.00 41.13 H new ATOM 0 HD1 TYR A 46 4.938 6.978 -30.038 1.00 44.14 H new ATOM 0 HD2 TYR A 46 5.165 9.856 -26.905 1.00 52.02 H new ATOM 0 HE1 TYR A 46 2.686 6.215 -29.164 1.00 65.11 H new ATOM 0 HE2 TYR A 46 2.913 9.082 -26.041 1.00 32.21 H new ATOM 0 HH TYR A 46 1.382 6.256 -27.310 1.00 1.12 H new ATOM 696 N SER A 47 4.527 9.889 -31.235 1.00 12.14 N ATOM 697 CA SER A 47 3.624 10.914 -31.731 1.00 63.25 C ATOM 698 C SER A 47 2.657 11.339 -30.624 1.00 53.23 C ATOM 699 O SER A 47 1.447 11.152 -30.747 1.00 5.24 O ATOM 700 CB SER A 47 2.848 10.419 -32.954 1.00 53.34 C ATOM 701 OG SER A 47 3.674 9.677 -33.847 1.00 2.34 O ATOM 0 H SER A 47 4.079 9.002 -31.003 1.00 12.14 H new ATOM 0 HA SER A 47 4.218 11.776 -32.036 1.00 63.25 H new ATOM 0 HB2 SER A 47 2.016 9.795 -32.627 1.00 53.34 H new ATOM 0 HB3 SER A 47 2.419 11.272 -33.481 1.00 53.34 H new ATOM 0 HG SER A 47 3.141 9.378 -34.613 1.00 2.34 H new ATOM 707 N TYR A 48 3.226 11.902 -29.569 1.00 51.45 N ATOM 708 CA TYR A 48 2.429 12.355 -28.442 1.00 53.45 C ATOM 709 C TYR A 48 1.303 13.282 -28.903 1.00 22.32 C ATOM 710 O TYR A 48 1.070 13.432 -30.101 1.00 41.51 O ATOM 711 CB TYR A 48 3.383 13.142 -27.540 1.00 50.11 C ATOM 712 CG TYR A 48 4.021 12.305 -26.430 1.00 52.33 C ATOM 713 CD1 TYR A 48 3.225 11.679 -25.493 1.00 54.41 C ATOM 714 CD2 TYR A 48 5.394 12.176 -26.365 1.00 33.34 C ATOM 715 CE1 TYR A 48 3.826 10.892 -24.447 1.00 15.30 C ATOM 716 CE2 TYR A 48 5.995 11.389 -25.319 1.00 74.44 C ATOM 717 CZ TYR A 48 5.181 10.785 -24.413 1.00 60.15 C ATOM 718 OH TYR A 48 5.748 10.042 -23.425 1.00 3.35 O ATOM 0 H TYR A 48 4.230 12.055 -29.471 1.00 51.45 H new ATOM 0 HA TYR A 48 1.972 11.508 -27.931 1.00 53.45 H new ATOM 0 HB2 TYR A 48 4.173 13.575 -28.154 1.00 50.11 H new ATOM 0 HB3 TYR A 48 2.839 13.971 -27.089 1.00 50.11 H new ATOM 0 HD1 TYR A 48 2.151 11.779 -25.544 1.00 54.41 H new ATOM 0 HD2 TYR A 48 6.018 12.665 -27.099 1.00 33.34 H new ATOM 0 HE1 TYR A 48 3.214 10.398 -23.707 1.00 15.30 H new ATOM 0 HE2 TYR A 48 7.068 11.281 -25.256 1.00 74.44 H new ATOM 0 HH TYR A 48 6.723 10.053 -23.526 1.00 3.35 H new ATOM 728 N THR A 49 0.634 13.879 -27.928 1.00 35.11 N ATOM 729 CA THR A 49 -0.463 14.786 -28.219 1.00 64.22 C ATOM 730 C THR A 49 -0.098 16.213 -27.805 1.00 54.14 C ATOM 731 O THR A 49 0.745 16.414 -26.932 1.00 75.51 O ATOM 732 CB THR A 49 -1.716 14.253 -27.522 1.00 13.11 C ATOM 733 OG1 THR A 49 -1.236 13.764 -26.273 1.00 51.35 O ATOM 734 CG2 THR A 49 -2.288 13.013 -28.213 1.00 63.01 C ATOM 0 H THR A 49 0.831 13.752 -26.935 1.00 35.11 H new ATOM 0 HA THR A 49 -0.665 14.832 -29.289 1.00 64.22 H new ATOM 0 HB THR A 49 -2.475 15.034 -27.492 1.00 13.11 H new ATOM 0 HG1 THR A 49 -1.984 13.401 -25.755 1.00 51.35 H new ATOM 0 HG21 THR A 49 -3.176 12.676 -27.678 1.00 63.01 H new ATOM 0 HG22 THR A 49 -2.555 13.260 -29.241 1.00 63.01 H new ATOM 0 HG23 THR A 49 -1.541 12.219 -28.213 1.00 63.01 H new ATOM 742 N ALA A 50 -0.751 17.168 -28.452 1.00 24.34 N ATOM 743 CA ALA A 50 -0.506 18.571 -28.162 1.00 24.32 C ATOM 744 C ALA A 50 -0.956 18.877 -26.732 1.00 54.32 C ATOM 745 O ALA A 50 -0.647 19.939 -26.195 1.00 62.11 O ATOM 746 CB ALA A 50 -1.223 19.439 -29.198 1.00 42.13 C ATOM 0 H ALA A 50 -1.449 16.998 -29.176 1.00 24.34 H new ATOM 0 HA ALA A 50 0.558 18.797 -28.228 1.00 24.32 H new ATOM 0 HB1 ALA A 50 -1.039 20.491 -28.981 1.00 42.13 H new ATOM 0 HB2 ALA A 50 -0.847 19.203 -30.193 1.00 42.13 H new ATOM 0 HB3 ALA A 50 -2.294 19.242 -29.159 1.00 42.13 H new ATOM 752 N ALA A 51 -1.679 17.928 -26.156 1.00 13.53 N ATOM 753 CA ALA A 51 -2.173 18.083 -24.799 1.00 20.33 C ATOM 754 C ALA A 51 -1.241 17.350 -23.834 1.00 71.23 C ATOM 755 O ALA A 51 -1.385 17.465 -22.617 1.00 42.11 O ATOM 756 CB ALA A 51 -3.614 17.573 -24.720 1.00 31.52 C ATOM 0 H ALA A 51 -1.935 17.048 -26.605 1.00 13.53 H new ATOM 0 HA ALA A 51 -2.183 19.134 -24.511 1.00 20.33 H new ATOM 0 HB1 ALA A 51 -3.986 17.689 -23.702 1.00 31.52 H new ATOM 0 HB2 ALA A 51 -4.241 18.147 -25.403 1.00 31.52 H new ATOM 0 HB3 ALA A 51 -3.643 16.520 -24.999 1.00 31.52 H new ATOM 762 N ASN A 52 -0.304 16.612 -24.412 1.00 33.55 N ATOM 763 CA ASN A 52 0.653 15.860 -23.617 1.00 3.30 C ATOM 764 C ASN A 52 1.767 16.797 -23.146 1.00 32.21 C ATOM 765 O ASN A 52 1.904 17.051 -21.951 1.00 0.33 O ATOM 766 CB ASN A 52 1.292 14.740 -24.441 1.00 62.11 C ATOM 767 CG ASN A 52 1.881 13.658 -23.531 1.00 74.35 C ATOM 768 OD1 ASN A 52 2.928 14.062 -22.819 1.00 73.55 O flip ATOM 769 ND2 ASN A 52 1.414 12.533 -23.481 1.00 24.25 N flip ATOM 0 H ASN A 52 -0.187 16.519 -25.421 1.00 33.55 H new ATOM 0 HA ASN A 52 0.122 15.426 -22.770 1.00 3.30 H new ATOM 0 HB2 ASN A 52 0.546 14.298 -25.102 1.00 62.11 H new ATOM 0 HB3 ASN A 52 2.076 15.153 -25.076 1.00 62.11 H new ATOM 0 HD21 ASN A 52 0.607 12.290 -24.056 1.00 24.25 H new ATOM 0 HD22 ASN A 52 1.830 11.835 -22.864 1.00 24.25 H new ATOM 776 N LYS A 53 2.532 17.284 -24.111 1.00 51.52 N ATOM 777 CA LYS A 53 3.631 18.188 -23.811 1.00 63.12 C ATOM 778 C LYS A 53 3.071 19.484 -23.222 1.00 71.04 C ATOM 779 O LYS A 53 3.807 20.266 -22.621 1.00 34.03 O ATOM 780 CB LYS A 53 4.503 18.401 -25.048 1.00 51.14 C ATOM 781 CG LYS A 53 4.672 17.097 -25.831 1.00 72.33 C ATOM 782 CD LYS A 53 3.861 17.127 -27.128 1.00 61.33 C ATOM 783 CE LYS A 53 4.770 17.343 -28.339 1.00 25.12 C ATOM 784 NZ LYS A 53 5.643 16.166 -28.548 1.00 11.21 N1+ ATOM 0 H LYS A 53 2.413 17.070 -25.101 1.00 51.52 H new ATOM 0 HA LYS A 53 4.289 17.753 -23.059 1.00 63.12 H new ATOM 0 HB2 LYS A 53 4.052 19.158 -25.689 1.00 51.14 H new ATOM 0 HB3 LYS A 53 5.481 18.778 -24.748 1.00 51.14 H new ATOM 0 HG2 LYS A 53 5.726 16.941 -26.061 1.00 72.33 H new ATOM 0 HG3 LYS A 53 4.351 16.256 -25.217 1.00 72.33 H new ATOM 0 HD2 LYS A 53 3.315 16.190 -27.241 1.00 61.33 H new ATOM 0 HD3 LYS A 53 3.119 17.924 -27.079 1.00 61.33 H new ATOM 0 HE2 LYS A 53 4.165 17.517 -29.229 1.00 25.12 H new ATOM 0 HE3 LYS A 53 5.380 18.234 -28.189 1.00 25.12 H new ATOM 0 HZ1 LYS A 53 6.637 16.470 -28.566 1.00 11.21 H new ATOM 0 HZ2 LYS A 53 5.502 15.487 -27.772 1.00 11.21 H new ATOM 0 HZ3 LYS A 53 5.403 15.712 -29.453 1.00 11.21 H new ATOM 797 N ASN A 54 1.774 19.673 -23.414 1.00 23.11 N ATOM 798 CA ASN A 54 1.107 20.861 -22.909 1.00 62.43 C ATOM 799 C ASN A 54 1.437 21.034 -21.424 1.00 74.05 C ATOM 800 O ASN A 54 1.999 22.052 -21.024 1.00 24.23 O ATOM 801 CB ASN A 54 -0.411 20.741 -23.046 1.00 40.12 C ATOM 802 CG ASN A 54 -1.089 22.099 -22.844 1.00 73.51 C ATOM 803 OD1 ASN A 54 -1.097 22.663 -21.762 1.00 23.41 O ATOM 804 ND2 ASN A 54 -1.656 22.589 -23.943 1.00 32.23 N ATOM 0 H ASN A 54 1.167 19.023 -23.913 1.00 23.11 H new ATOM 0 HA ASN A 54 1.454 21.715 -23.490 1.00 62.43 H new ATOM 0 HB2 ASN A 54 -0.661 20.349 -24.032 1.00 40.12 H new ATOM 0 HB3 ASN A 54 -0.791 20.028 -22.314 1.00 40.12 H new ATOM 0 HD21 ASN A 54 -2.135 23.489 -23.912 1.00 32.23 H new ATOM 0 HD22 ASN A 54 -1.612 22.065 -24.817 1.00 32.23 H new ATOM 811 N LYS A 55 1.071 20.023 -20.649 1.00 72.24 N ATOM 812 CA LYS A 55 1.320 20.050 -19.218 1.00 1.14 C ATOM 813 C LYS A 55 2.708 20.640 -18.957 1.00 53.42 C ATOM 814 O LYS A 55 2.827 21.756 -18.454 1.00 12.22 O ATOM 815 CB LYS A 55 1.119 18.659 -18.613 1.00 73.04 C ATOM 816 CG LYS A 55 0.447 18.749 -17.242 1.00 64.50 C ATOM 817 CD LYS A 55 -1.045 19.061 -17.382 1.00 75.50 C ATOM 818 CE LYS A 55 -1.406 20.356 -16.651 1.00 64.34 C ATOM 819 NZ LYS A 55 -2.255 21.214 -17.506 1.00 3.42 N1+ ATOM 0 H LYS A 55 0.604 19.181 -20.985 1.00 72.24 H new ATOM 0 HA LYS A 55 0.599 20.697 -18.718 1.00 1.14 H new ATOM 0 HB2 LYS A 55 0.509 18.052 -19.282 1.00 73.04 H new ATOM 0 HB3 LYS A 55 2.082 18.157 -18.518 1.00 73.04 H new ATOM 0 HG2 LYS A 55 0.577 17.808 -16.707 1.00 64.50 H new ATOM 0 HG3 LYS A 55 0.930 19.524 -16.646 1.00 64.50 H new ATOM 0 HD2 LYS A 55 -1.304 19.151 -18.437 1.00 75.50 H new ATOM 0 HD3 LYS A 55 -1.632 18.236 -16.979 1.00 75.50 H new ATOM 0 HE2 LYS A 55 -1.931 20.123 -15.724 1.00 64.34 H new ATOM 0 HE3 LYS A 55 -0.497 20.891 -16.377 1.00 64.34 H new ATOM 0 HZ1 LYS A 55 -2.697 21.954 -16.925 1.00 3.42 H new ATOM 0 HZ2 LYS A 55 -1.670 21.656 -18.244 1.00 3.42 H new ATOM 0 HZ3 LYS A 55 -2.995 20.636 -17.952 1.00 3.42 H new ATOM 832 N GLY A 56 3.721 19.862 -19.310 1.00 41.10 N ATOM 833 CA GLY A 56 5.096 20.294 -19.121 1.00 23.55 C ATOM 834 C GLY A 56 5.511 20.170 -17.653 1.00 73.03 C ATOM 835 O GLY A 56 6.469 20.809 -17.219 1.00 71.12 O ATOM 0 H GLY A 56 3.617 18.936 -19.725 1.00 41.10 H new ATOM 0 HA2 GLY A 56 5.759 19.692 -19.743 1.00 23.55 H new ATOM 0 HA3 GLY A 56 5.205 21.328 -19.448 1.00 23.55 H new ATOM 839 N ILE A 57 4.771 19.345 -16.929 1.00 34.25 N ATOM 840 CA ILE A 57 5.051 19.129 -15.519 1.00 4.20 C ATOM 841 C ILE A 57 5.995 17.935 -15.368 1.00 44.42 C ATOM 842 O ILE A 57 6.253 17.217 -16.333 1.00 10.04 O ATOM 843 CB ILE A 57 3.747 18.987 -14.730 1.00 10.34 C ATOM 844 CG1 ILE A 57 3.025 17.689 -15.095 1.00 23.30 C ATOM 845 CG2 ILE A 57 2.853 20.214 -14.922 1.00 35.13 C ATOM 846 CD1 ILE A 57 3.756 16.474 -14.520 1.00 51.13 C ATOM 0 H ILE A 57 3.977 18.817 -17.292 1.00 34.25 H new ATOM 0 HA ILE A 57 5.561 19.994 -15.094 1.00 4.20 H new ATOM 0 HB ILE A 57 3.993 18.932 -13.670 1.00 10.34 H new ATOM 0 HG12 ILE A 57 2.004 17.717 -14.714 1.00 23.30 H new ATOM 0 HG13 ILE A 57 2.958 17.598 -16.179 1.00 23.30 H new ATOM 0 HG21 ILE A 57 1.933 20.087 -14.351 1.00 35.13 H new ATOM 0 HG22 ILE A 57 3.377 21.104 -14.573 1.00 35.13 H new ATOM 0 HG23 ILE A 57 2.611 20.326 -15.979 1.00 35.13 H new ATOM 0 HD11 ILE A 57 3.222 15.564 -14.794 1.00 51.13 H new ATOM 0 HD12 ILE A 57 4.769 16.435 -14.922 1.00 51.13 H new ATOM 0 HD13 ILE A 57 3.799 16.556 -13.434 1.00 51.13 H new ATOM 858 N ILE A 58 6.484 17.760 -14.149 1.00 31.21 N ATOM 859 CA ILE A 58 7.393 16.664 -13.859 1.00 43.43 C ATOM 860 C ILE A 58 6.620 15.527 -13.189 1.00 60.14 C ATOM 861 O ILE A 58 6.203 15.649 -12.038 1.00 21.20 O ATOM 862 CB ILE A 58 8.587 17.162 -13.041 1.00 45.12 C ATOM 863 CG1 ILE A 58 9.095 18.503 -13.571 1.00 53.42 C ATOM 864 CG2 ILE A 58 9.696 16.109 -12.991 1.00 60.01 C ATOM 865 CD1 ILE A 58 9.283 18.458 -15.089 1.00 11.43 C ATOM 0 H ILE A 58 6.268 18.358 -13.351 1.00 31.21 H new ATOM 0 HA ILE A 58 7.812 16.263 -14.782 1.00 43.43 H new ATOM 0 HB ILE A 58 8.253 17.327 -12.017 1.00 45.12 H new ATOM 0 HG12 ILE A 58 8.388 19.292 -13.312 1.00 53.42 H new ATOM 0 HG13 ILE A 58 10.041 18.753 -13.091 1.00 53.42 H new ATOM 0 HG21 ILE A 58 10.532 16.489 -12.404 1.00 60.01 H new ATOM 0 HG22 ILE A 58 9.313 15.199 -12.530 1.00 60.01 H new ATOM 0 HG23 ILE A 58 10.034 15.889 -14.003 1.00 60.01 H new ATOM 0 HD11 ILE A 58 9.645 19.425 -15.440 1.00 11.43 H new ATOM 0 HD12 ILE A 58 10.008 17.685 -15.343 1.00 11.43 H new ATOM 0 HD13 ILE A 58 8.330 18.232 -15.567 1.00 11.43 H new ATOM 877 N TRP A 59 6.450 14.448 -13.939 1.00 42.03 N ATOM 878 CA TRP A 59 5.733 13.290 -13.432 1.00 53.42 C ATOM 879 C TRP A 59 6.429 12.826 -12.152 1.00 35.14 C ATOM 880 O TRP A 59 7.655 12.866 -12.057 1.00 11.40 O ATOM 881 CB TRP A 59 5.644 12.193 -14.495 1.00 61.43 C ATOM 882 CG TRP A 59 4.730 12.540 -15.672 1.00 4.33 C ATOM 883 CD1 TRP A 59 5.065 12.678 -16.963 1.00 71.34 C ATOM 884 CD2 TRP A 59 3.310 12.789 -15.615 1.00 13.24 C ATOM 885 NE1 TRP A 59 3.969 12.997 -17.738 1.00 20.21 N ATOM 886 CE2 TRP A 59 2.868 13.066 -16.893 1.00 13.32 C ATOM 887 CE3 TRP A 59 2.428 12.780 -14.520 1.00 30.40 C ATOM 888 CZ2 TRP A 59 1.531 13.355 -17.195 1.00 41.54 C ATOM 889 CZ3 TRP A 59 1.096 13.072 -14.840 1.00 15.13 C ATOM 890 CH2 TRP A 59 0.635 13.353 -16.120 1.00 21.05 C ATOM 0 H TRP A 59 6.796 14.351 -14.894 1.00 42.03 H new ATOM 0 HA TRP A 59 4.702 13.549 -13.193 1.00 53.42 H new ATOM 0 HB2 TRP A 59 6.645 11.987 -14.874 1.00 61.43 H new ATOM 0 HB3 TRP A 59 5.285 11.276 -14.027 1.00 61.43 H new ATOM 0 HD1 TRP A 59 6.067 12.555 -17.348 1.00 71.34 H new ATOM 0 HE1 TRP A 59 3.967 13.153 -18.746 1.00 20.21 H new ATOM 0 HE3 TRP A 59 2.752 12.565 -13.512 1.00 30.40 H new ATOM 0 HZ2 TRP A 59 1.209 13.568 -18.204 1.00 41.54 H new ATOM 0 HZ3 TRP A 59 0.376 13.079 -14.035 1.00 15.13 H new ATOM 0 HH2 TRP A 59 -0.410 13.569 -16.285 1.00 21.05 H new ATOM 901 N GLY A 60 5.616 12.397 -11.196 1.00 53.12 N ATOM 902 CA GLY A 60 6.139 11.927 -9.925 1.00 65.12 C ATOM 903 C GLY A 60 5.046 11.239 -9.104 1.00 54.35 C ATOM 904 O GLY A 60 4.223 10.505 -9.649 1.00 52.13 O ATOM 0 H GLY A 60 4.600 12.365 -11.277 1.00 53.12 H new ATOM 0 HA2 GLY A 60 6.960 11.231 -10.100 1.00 65.12 H new ATOM 0 HA3 GLY A 60 6.547 12.767 -9.363 1.00 65.12 H new ATOM 908 N GLU A 61 5.073 11.502 -7.805 1.00 1.21 N ATOM 909 CA GLU A 61 4.094 10.917 -6.904 1.00 74.52 C ATOM 910 C GLU A 61 2.865 11.823 -6.795 1.00 21.13 C ATOM 911 O GLU A 61 1.736 11.338 -6.747 1.00 72.12 O ATOM 912 CB GLU A 61 4.707 10.656 -5.525 1.00 44.23 C ATOM 913 CG GLU A 61 5.744 9.533 -5.591 1.00 1.31 C ATOM 914 CD GLU A 61 7.135 10.088 -5.901 1.00 23.15 C ATOM 915 OE1 GLU A 61 7.713 9.763 -6.948 1.00 64.15 O ATOM 916 OE2 GLU A 61 7.615 10.886 -5.008 1.00 43.33 O1- ATOM 0 H GLU A 61 5.756 12.111 -7.356 1.00 1.21 H new ATOM 0 HA GLU A 61 3.778 9.957 -7.314 1.00 74.52 H new ATOM 0 HB2 GLU A 61 5.175 11.567 -5.153 1.00 44.23 H new ATOM 0 HB3 GLU A 61 3.921 10.390 -4.818 1.00 44.23 H new ATOM 0 HG2 GLU A 61 5.766 8.997 -4.642 1.00 1.31 H new ATOM 0 HG3 GLU A 61 5.457 8.813 -6.357 1.00 1.31 H new ATOM 924 N ASP A 62 3.128 13.121 -6.758 1.00 52.34 N ATOM 925 CA ASP A 62 2.058 14.098 -6.655 1.00 22.22 C ATOM 926 C ASP A 62 1.437 14.315 -8.037 1.00 44.15 C ATOM 927 O ASP A 62 0.248 14.068 -8.233 1.00 22.13 O ATOM 928 CB ASP A 62 2.587 15.444 -6.158 1.00 1.41 C ATOM 929 CG ASP A 62 2.656 15.591 -4.637 1.00 52.20 C ATOM 930 OD1 ASP A 62 3.623 15.151 -3.996 1.00 2.01 O ATOM 931 OD2 ASP A 62 1.648 16.192 -4.101 1.00 21.24 O1- ATOM 0 H ASP A 62 4.066 13.519 -6.798 1.00 52.34 H new ATOM 0 HA ASP A 62 1.321 13.717 -5.948 1.00 22.22 H new ATOM 0 HB2 ASP A 62 3.585 15.599 -6.568 1.00 1.41 H new ATOM 0 HB3 ASP A 62 1.952 16.236 -6.556 1.00 1.41 H new ATOM 937 N THR A 63 2.271 14.774 -8.959 1.00 72.52 N ATOM 938 CA THR A 63 1.818 15.027 -10.317 1.00 21.51 C ATOM 939 C THR A 63 0.947 13.871 -10.813 1.00 21.32 C ATOM 940 O THR A 63 0.090 14.061 -11.674 1.00 40.52 O ATOM 941 CB THR A 63 3.052 15.275 -11.187 1.00 0.41 C ATOM 942 OG1 THR A 63 3.965 14.254 -10.795 1.00 52.45 O ATOM 943 CG2 THR A 63 3.771 16.577 -10.826 1.00 31.44 C ATOM 0 H THR A 63 3.257 14.977 -8.793 1.00 72.52 H new ATOM 0 HA THR A 63 1.185 15.913 -10.365 1.00 21.51 H new ATOM 0 HB THR A 63 2.757 15.302 -12.236 1.00 0.41 H new ATOM 0 HG1 THR A 63 4.778 14.664 -10.432 1.00 52.45 H new ATOM 0 HG21 THR A 63 4.639 16.705 -11.473 1.00 31.44 H new ATOM 0 HG22 THR A 63 3.091 17.418 -10.961 1.00 31.44 H new ATOM 0 HG23 THR A 63 4.096 16.537 -9.786 1.00 31.44 H new ATOM 951 N LEU A 64 1.197 12.699 -10.248 1.00 13.22 N ATOM 952 CA LEU A 64 0.447 11.512 -10.621 1.00 63.53 C ATOM 953 C LEU A 64 -0.831 11.437 -9.782 1.00 64.34 C ATOM 954 O LEU A 64 -1.935 11.465 -10.323 1.00 55.10 O ATOM 955 CB LEU A 64 1.327 10.266 -10.515 1.00 44.42 C ATOM 956 CG LEU A 64 2.354 10.073 -11.633 1.00 60.21 C ATOM 957 CD1 LEU A 64 3.218 8.837 -11.375 1.00 64.04 C ATOM 958 CD2 LEU A 64 1.672 10.020 -13.001 1.00 52.11 C ATOM 0 H LEU A 64 1.909 12.546 -9.534 1.00 13.22 H new ATOM 0 HA LEU A 64 0.140 11.568 -11.665 1.00 63.53 H new ATOM 0 HB2 LEU A 64 1.857 10.300 -9.563 1.00 44.42 H new ATOM 0 HB3 LEU A 64 0.680 9.389 -10.488 1.00 44.42 H new ATOM 0 HG LEU A 64 3.019 10.936 -11.639 1.00 60.21 H new ATOM 0 HD11 LEU A 64 3.940 8.722 -12.184 1.00 64.04 H new ATOM 0 HD12 LEU A 64 3.748 8.954 -10.430 1.00 64.04 H new ATOM 0 HD13 LEU A 64 2.583 7.953 -11.327 1.00 64.04 H new ATOM 0 HD21 LEU A 64 2.424 9.882 -13.778 1.00 52.11 H new ATOM 0 HD22 LEU A 64 0.969 9.187 -13.025 1.00 52.11 H new ATOM 0 HD23 LEU A 64 1.136 10.953 -13.177 1.00 52.11 H new ATOM 970 N MET A 65 -0.637 11.343 -8.475 1.00 33.24 N ATOM 971 CA MET A 65 -1.760 11.263 -7.557 1.00 54.13 C ATOM 972 C MET A 65 -2.904 12.173 -8.008 1.00 25.33 C ATOM 973 O MET A 65 -4.071 11.886 -7.747 1.00 22.02 O ATOM 974 CB MET A 65 -1.303 11.674 -6.155 1.00 42.51 C ATOM 975 CG MET A 65 -2.379 11.360 -5.114 1.00 50.02 C ATOM 976 SD MET A 65 -1.659 11.334 -3.481 1.00 13.13 S ATOM 977 CE MET A 65 -1.654 9.576 -3.172 1.00 15.21 C ATOM 0 H MET A 65 0.281 11.320 -8.030 1.00 33.24 H new ATOM 0 HA MET A 65 -2.122 10.235 -7.545 1.00 54.13 H new ATOM 0 HB2 MET A 65 -0.382 11.150 -5.901 1.00 42.51 H new ATOM 0 HB3 MET A 65 -1.078 12.740 -6.140 1.00 42.51 H new ATOM 0 HG2 MET A 65 -3.170 12.108 -5.160 1.00 50.02 H new ATOM 0 HG3 MET A 65 -2.839 10.396 -5.333 1.00 50.02 H new ATOM 0 HE1 MET A 65 -1.233 9.381 -2.186 1.00 15.21 H new ATOM 0 HE2 MET A 65 -2.675 9.197 -3.212 1.00 15.21 H new ATOM 0 HE3 MET A 65 -1.051 9.075 -3.930 1.00 15.21 H new ATOM 987 N GLU A 66 -2.530 13.253 -8.678 1.00 74.14 N ATOM 988 CA GLU A 66 -3.510 14.206 -9.169 1.00 73.33 C ATOM 989 C GLU A 66 -4.026 13.778 -10.544 1.00 2.43 C ATOM 990 O GLU A 66 -5.234 13.728 -10.770 1.00 72.31 O ATOM 991 CB GLU A 66 -2.924 15.618 -9.220 1.00 53.20 C ATOM 992 CG GLU A 66 -4.020 16.674 -9.060 1.00 12.14 C ATOM 993 CD GLU A 66 -4.824 16.438 -7.780 1.00 45.11 C ATOM 994 OE1 GLU A 66 -4.333 16.723 -6.677 1.00 41.11 O ATOM 995 OE2 GLU A 66 -6.001 15.942 -7.959 1.00 22.52 O1- ATOM 0 H GLU A 66 -1.561 13.489 -8.892 1.00 74.14 H new ATOM 0 HA GLU A 66 -4.351 14.221 -8.476 1.00 73.33 H new ATOM 0 HB2 GLU A 66 -2.182 15.736 -8.430 1.00 53.20 H new ATOM 0 HB3 GLU A 66 -2.407 15.767 -10.168 1.00 53.20 H new ATOM 0 HG2 GLU A 66 -3.572 17.667 -9.035 1.00 12.14 H new ATOM 0 HG3 GLU A 66 -4.686 16.646 -9.923 1.00 12.14 H new ATOM 1003 N TYR A 67 -3.085 13.478 -11.427 1.00 23.00 N ATOM 1004 CA TYR A 67 -3.430 13.054 -12.774 1.00 3.25 C ATOM 1005 C TYR A 67 -4.327 11.816 -12.747 1.00 54.14 C ATOM 1006 O TYR A 67 -5.426 11.830 -13.299 1.00 20.25 O ATOM 1007 CB TYR A 67 -2.107 12.696 -13.454 1.00 71.14 C ATOM 1008 CG TYR A 67 -2.271 11.999 -14.806 1.00 24.31 C ATOM 1009 CD1 TYR A 67 -2.893 12.654 -15.850 1.00 40.42 C ATOM 1010 CD2 TYR A 67 -1.800 10.714 -14.981 1.00 64.21 C ATOM 1011 CE1 TYR A 67 -3.048 11.997 -17.122 1.00 20.05 C ATOM 1012 CE2 TYR A 67 -1.955 10.057 -16.254 1.00 44.34 C ATOM 1013 CZ TYR A 67 -2.572 10.731 -17.260 1.00 2.03 C ATOM 1014 OH TYR A 67 -2.718 10.111 -18.462 1.00 60.35 O ATOM 0 H TYR A 67 -2.084 13.520 -11.236 1.00 23.00 H new ATOM 0 HA TYR A 67 -3.970 13.842 -13.298 1.00 3.25 H new ATOM 0 HB2 TYR A 67 -1.524 13.607 -13.594 1.00 71.14 H new ATOM 0 HB3 TYR A 67 -1.533 12.049 -12.791 1.00 71.14 H new ATOM 0 HD1 TYR A 67 -3.263 13.659 -15.713 1.00 40.42 H new ATOM 0 HD2 TYR A 67 -1.315 10.201 -14.164 1.00 64.21 H new ATOM 0 HE1 TYR A 67 -3.531 12.498 -17.947 1.00 20.05 H new ATOM 0 HE2 TYR A 67 -1.589 9.052 -16.405 1.00 44.34 H new ATOM 0 HH TYR A 67 -2.747 9.141 -18.328 1.00 60.35 H new ATOM 1024 N LEU A 68 -3.827 10.775 -12.098 1.00 23.24 N ATOM 1025 CA LEU A 68 -4.570 9.531 -11.992 1.00 1.14 C ATOM 1026 C LEU A 68 -6.045 9.844 -11.735 1.00 70.03 C ATOM 1027 O LEU A 68 -6.919 9.369 -12.459 1.00 54.01 O ATOM 1028 CB LEU A 68 -3.941 8.621 -10.934 1.00 71.15 C ATOM 1029 CG LEU A 68 -2.732 7.801 -11.388 1.00 40.05 C ATOM 1030 CD1 LEU A 68 -2.091 7.069 -10.207 1.00 22.43 C ATOM 1031 CD2 LEU A 68 -3.113 6.842 -12.517 1.00 54.34 C ATOM 0 H LEU A 68 -2.916 10.768 -11.640 1.00 23.24 H new ATOM 0 HA LEU A 68 -4.520 8.975 -12.928 1.00 1.14 H new ATOM 0 HB2 LEU A 68 -3.640 9.237 -10.086 1.00 71.15 H new ATOM 0 HB3 LEU A 68 -4.706 7.934 -10.573 1.00 71.15 H new ATOM 0 HG LEU A 68 -1.984 8.487 -11.786 1.00 40.05 H new ATOM 0 HD11 LEU A 68 -1.234 6.494 -10.557 1.00 22.43 H new ATOM 0 HD12 LEU A 68 -1.761 7.795 -9.464 1.00 22.43 H new ATOM 0 HD13 LEU A 68 -2.821 6.396 -9.757 1.00 22.43 H new ATOM 0 HD21 LEU A 68 -2.236 6.271 -12.821 1.00 54.34 H new ATOM 0 HD22 LEU A 68 -3.887 6.159 -12.168 1.00 54.34 H new ATOM 0 HD23 LEU A 68 -3.488 7.412 -13.367 1.00 54.34 H new ATOM 1043 N GLU A 69 -6.278 10.641 -10.703 1.00 20.13 N ATOM 1044 CA GLU A 69 -7.632 11.024 -10.342 1.00 44.21 C ATOM 1045 C GLU A 69 -8.366 11.588 -11.560 1.00 21.20 C ATOM 1046 O GLU A 69 -9.426 11.089 -11.936 1.00 32.34 O ATOM 1047 CB GLU A 69 -7.630 12.029 -9.190 1.00 23.33 C ATOM 1048 CG GLU A 69 -9.003 12.684 -9.030 1.00 33.31 C ATOM 1049 CD GLU A 69 -9.153 13.315 -7.645 1.00 75.21 C ATOM 1050 OE1 GLU A 69 -10.186 13.936 -7.354 1.00 44.32 O ATOM 1051 OE2 GLU A 69 -8.147 13.143 -6.856 1.00 54.32 O1- ATOM 0 H GLU A 69 -5.551 11.033 -10.105 1.00 20.13 H new ATOM 0 HA GLU A 69 -8.162 10.134 -10.002 1.00 44.21 H new ATOM 0 HB2 GLU A 69 -7.354 11.525 -8.264 1.00 23.33 H new ATOM 0 HB3 GLU A 69 -6.877 12.795 -9.373 1.00 23.33 H new ATOM 0 HG2 GLU A 69 -9.137 13.447 -9.797 1.00 33.31 H new ATOM 0 HG3 GLU A 69 -9.785 11.939 -9.181 1.00 33.31 H new ATOM 1059 N ASN A 70 -7.775 12.619 -12.144 1.00 12.20 N ATOM 1060 CA ASN A 70 -8.359 13.256 -13.311 1.00 10.35 C ATOM 1061 C ASN A 70 -7.277 13.452 -14.374 1.00 50.13 C ATOM 1062 O ASN A 70 -6.636 14.501 -14.429 1.00 4.21 O ATOM 1063 CB ASN A 70 -8.931 14.630 -12.960 1.00 54.31 C ATOM 1064 CG ASN A 70 -8.039 15.355 -11.949 1.00 33.25 C ATOM 1065 OD1 ASN A 70 -6.840 15.139 -11.874 1.00 62.01 O ATOM 1066 ND2 ASN A 70 -8.688 16.221 -11.178 1.00 64.01 N ATOM 0 H ASN A 70 -6.896 13.030 -11.830 1.00 12.20 H new ATOM 0 HA ASN A 70 -9.160 12.615 -13.679 1.00 10.35 H new ATOM 0 HB2 ASN A 70 -9.024 15.231 -13.865 1.00 54.31 H new ATOM 0 HB3 ASN A 70 -9.934 14.516 -12.549 1.00 54.31 H new ATOM 0 HD21 ASN A 70 -8.181 16.753 -10.471 1.00 64.01 H new ATOM 0 HD22 ASN A 70 -9.693 16.353 -11.294 1.00 64.01 H new ATOM 1073 N PRO A 71 -7.103 12.399 -15.218 1.00 2.03 N ATOM 1074 CA PRO A 71 -6.109 12.445 -16.277 1.00 62.33 C ATOM 1075 C PRO A 71 -6.578 13.335 -17.430 1.00 21.13 C ATOM 1076 O PRO A 71 -5.787 14.081 -18.005 1.00 13.34 O ATOM 1077 CB PRO A 71 -5.906 10.997 -16.690 1.00 51.50 C ATOM 1078 CG PRO A 71 -7.122 10.242 -16.175 1.00 20.32 C ATOM 1079 CD PRO A 71 -7.843 11.142 -15.184 1.00 43.43 C ATOM 0 HA PRO A 71 -5.168 12.888 -15.951 1.00 62.33 H new ATOM 0 HB2 PRO A 71 -5.821 10.908 -17.773 1.00 51.50 H new ATOM 0 HB3 PRO A 71 -4.987 10.594 -16.264 1.00 51.50 H new ATOM 0 HG2 PRO A 71 -7.783 9.975 -16.999 1.00 20.32 H new ATOM 0 HG3 PRO A 71 -6.819 9.311 -15.695 1.00 20.32 H new ATOM 0 HD2 PRO A 71 -8.885 11.288 -15.468 1.00 43.43 H new ATOM 0 HD3 PRO A 71 -7.843 10.709 -14.184 1.00 43.43 H new ATOM 1087 N LYS A 72 -7.863 13.227 -17.734 1.00 52.22 N ATOM 1088 CA LYS A 72 -8.447 14.012 -18.808 1.00 43.01 C ATOM 1089 C LYS A 72 -8.180 15.496 -18.552 1.00 54.30 C ATOM 1090 O LYS A 72 -7.488 16.149 -19.332 1.00 52.53 O ATOM 1091 CB LYS A 72 -9.931 13.674 -18.974 1.00 3.34 C ATOM 1092 CG LYS A 72 -10.346 13.736 -20.445 1.00 13.21 C ATOM 1093 CD LYS A 72 -11.746 14.336 -20.594 1.00 21.22 C ATOM 1094 CE LYS A 72 -11.756 15.811 -20.190 1.00 74.53 C ATOM 1095 NZ LYS A 72 -11.654 16.677 -21.387 1.00 65.43 N1+ ATOM 0 H LYS A 72 -8.516 12.607 -17.255 1.00 52.22 H new ATOM 0 HA LYS A 72 -7.979 13.762 -19.760 1.00 43.01 H new ATOM 0 HB2 LYS A 72 -10.127 12.677 -18.579 1.00 3.34 H new ATOM 0 HB3 LYS A 72 -10.534 14.372 -18.393 1.00 3.34 H new ATOM 0 HG2 LYS A 72 -9.628 14.336 -21.004 1.00 13.21 H new ATOM 0 HG3 LYS A 72 -10.328 12.734 -20.874 1.00 13.21 H new ATOM 0 HD2 LYS A 72 -12.080 14.236 -21.627 1.00 21.22 H new ATOM 0 HD3 LYS A 72 -12.451 13.781 -19.975 1.00 21.22 H new ATOM 0 HE2 LYS A 72 -12.673 16.039 -19.646 1.00 74.53 H new ATOM 0 HE3 LYS A 72 -10.925 16.015 -19.514 1.00 74.53 H new ATOM 0 HZ1 LYS A 72 -11.662 17.675 -21.095 1.00 65.43 H new ATOM 0 HZ2 LYS A 72 -10.768 16.471 -21.890 1.00 65.43 H new ATOM 0 HZ3 LYS A 72 -12.461 16.494 -22.018 1.00 65.43 H new ATOM 1108 N LYS A 73 -8.742 15.986 -17.458 1.00 54.43 N ATOM 1109 CA LYS A 73 -8.574 17.381 -17.088 1.00 14.10 C ATOM 1110 C LYS A 73 -7.092 17.752 -17.179 1.00 65.14 C ATOM 1111 O LYS A 73 -6.693 18.520 -18.053 1.00 73.42 O ATOM 1112 CB LYS A 73 -9.192 17.652 -15.716 1.00 44.31 C ATOM 1113 CG LYS A 73 -9.936 18.989 -15.703 1.00 44.45 C ATOM 1114 CD LYS A 73 -8.968 20.157 -15.905 1.00 21.13 C ATOM 1115 CE LYS A 73 -9.726 21.451 -16.208 1.00 32.30 C ATOM 1116 NZ LYS A 73 -10.588 21.826 -15.064 1.00 11.51 N1+ ATOM 0 H LYS A 73 -9.315 15.441 -16.814 1.00 54.43 H new ATOM 0 HA LYS A 73 -9.110 18.026 -17.784 1.00 14.10 H new ATOM 0 HB2 LYS A 73 -9.880 16.847 -15.458 1.00 44.31 H new ATOM 0 HB3 LYS A 73 -8.410 17.660 -14.956 1.00 44.31 H new ATOM 0 HG2 LYS A 73 -10.691 18.997 -16.490 1.00 44.45 H new ATOM 0 HG3 LYS A 73 -10.462 19.107 -14.756 1.00 44.45 H new ATOM 0 HD2 LYS A 73 -8.360 20.289 -15.010 1.00 21.13 H new ATOM 0 HD3 LYS A 73 -8.285 19.931 -16.724 1.00 21.13 H new ATOM 0 HE2 LYS A 73 -9.019 22.254 -16.417 1.00 32.30 H new ATOM 0 HE3 LYS A 73 -10.335 21.322 -17.103 1.00 32.30 H new ATOM 0 HZ1 LYS A 73 -10.963 22.785 -15.212 1.00 11.51 H new ATOM 0 HZ2 LYS A 73 -11.377 21.153 -14.989 1.00 11.51 H new ATOM 0 HZ3 LYS A 73 -10.030 21.804 -14.187 1.00 11.51 H new ATOM 1129 N TYR A 74 -6.317 17.189 -16.264 1.00 0.35 N ATOM 1130 CA TYR A 74 -4.888 17.451 -16.229 1.00 13.35 C ATOM 1131 C TYR A 74 -4.315 17.552 -17.644 1.00 21.32 C ATOM 1132 O TYR A 74 -3.586 18.491 -17.958 1.00 50.24 O ATOM 1133 CB TYR A 74 -4.256 16.253 -15.519 1.00 41.13 C ATOM 1134 CG TYR A 74 -2.924 16.566 -14.836 1.00 75.44 C ATOM 1135 CD1 TYR A 74 -2.905 17.301 -13.666 1.00 25.24 C ATOM 1136 CD2 TYR A 74 -1.743 16.114 -15.386 1.00 53.12 C ATOM 1137 CE1 TYR A 74 -1.651 17.595 -13.023 1.00 2.04 C ATOM 1138 CE2 TYR A 74 -0.489 16.408 -14.742 1.00 44.42 C ATOM 1139 CZ TYR A 74 -0.505 17.134 -13.592 1.00 54.11 C ATOM 1140 OH TYR A 74 0.679 17.412 -12.983 1.00 35.30 O ATOM 0 H TYR A 74 -6.652 16.552 -15.541 1.00 0.35 H new ATOM 0 HA TYR A 74 -4.683 18.393 -15.720 1.00 13.35 H new ATOM 0 HB2 TYR A 74 -4.955 15.876 -14.773 1.00 41.13 H new ATOM 0 HB3 TYR A 74 -4.102 15.454 -16.244 1.00 41.13 H new ATOM 0 HD1 TYR A 74 -3.830 17.654 -13.234 1.00 25.24 H new ATOM 0 HD2 TYR A 74 -1.759 15.539 -16.300 1.00 53.12 H new ATOM 0 HE1 TYR A 74 -1.621 18.169 -12.109 1.00 2.04 H new ATOM 0 HE2 TYR A 74 0.443 16.060 -15.163 1.00 44.42 H new ATOM 0 HH TYR A 74 0.876 18.368 -13.072 1.00 35.30 H new ATOM 1150 N ILE A 75 -4.666 16.569 -18.462 1.00 53.34 N ATOM 1151 CA ILE A 75 -4.195 16.535 -19.836 1.00 45.04 C ATOM 1152 C ILE A 75 -5.392 16.653 -20.783 1.00 31.42 C ATOM 1153 O ILE A 75 -5.933 15.645 -21.235 1.00 1.32 O ATOM 1154 CB ILE A 75 -3.340 15.289 -20.078 1.00 12.32 C ATOM 1155 CG1 ILE A 75 -2.482 14.967 -18.853 1.00 74.51 C ATOM 1156 CG2 ILE A 75 -2.497 15.442 -21.345 1.00 35.11 C ATOM 1157 CD1 ILE A 75 -1.335 14.023 -19.220 1.00 44.21 C ATOM 0 H ILE A 75 -5.271 15.791 -18.199 1.00 53.34 H new ATOM 0 HA ILE A 75 -3.543 17.385 -20.037 1.00 45.04 H new ATOM 0 HB ILE A 75 -4.007 14.441 -20.235 1.00 12.32 H new ATOM 0 HG12 ILE A 75 -2.079 15.889 -18.434 1.00 74.51 H new ATOM 0 HG13 ILE A 75 -3.101 14.510 -18.081 1.00 74.51 H new ATOM 0 HG21 ILE A 75 -1.899 14.543 -21.495 1.00 35.11 H new ATOM 0 HG22 ILE A 75 -3.153 15.588 -22.203 1.00 35.11 H new ATOM 0 HG23 ILE A 75 -1.838 16.304 -21.242 1.00 35.11 H new ATOM 0 HD11 ILE A 75 -0.741 13.810 -18.332 1.00 44.21 H new ATOM 0 HD12 ILE A 75 -1.742 13.093 -19.616 1.00 44.21 H new ATOM 0 HD13 ILE A 75 -0.704 14.493 -19.975 1.00 44.21 H new ATOM 1169 N PRO A 76 -5.779 17.926 -21.063 1.00 61.33 N ATOM 1170 CA PRO A 76 -6.901 18.190 -21.948 1.00 71.30 C ATOM 1171 C PRO A 76 -6.515 17.950 -23.409 1.00 33.42 C ATOM 1172 O PRO A 76 -5.867 18.790 -24.030 1.00 1.33 O ATOM 1173 CB PRO A 76 -7.294 19.631 -21.667 1.00 24.03 C ATOM 1174 CG PRO A 76 -6.095 20.264 -20.980 1.00 10.34 C ATOM 1175 CD PRO A 76 -5.162 19.145 -20.546 1.00 71.25 C ATOM 0 HA PRO A 76 -7.742 17.520 -21.771 1.00 71.30 H new ATOM 0 HB2 PRO A 76 -7.537 20.157 -22.590 1.00 24.03 H new ATOM 0 HB3 PRO A 76 -8.178 19.678 -21.031 1.00 24.03 H new ATOM 0 HG2 PRO A 76 -5.583 20.947 -21.658 1.00 10.34 H new ATOM 0 HG3 PRO A 76 -6.414 20.851 -20.119 1.00 10.34 H new ATOM 0 HD2 PRO A 76 -4.160 19.285 -20.952 1.00 71.25 H new ATOM 0 HD3 PRO A 76 -5.064 19.110 -19.461 1.00 71.25 H new ATOM 1183 N GLY A 77 -6.930 16.797 -23.915 1.00 72.13 N ATOM 1184 CA GLY A 77 -6.636 16.437 -25.292 1.00 33.14 C ATOM 1185 C GLY A 77 -6.036 15.031 -25.373 1.00 34.12 C ATOM 1186 O GLY A 77 -5.802 14.514 -26.465 1.00 30.24 O ATOM 0 H GLY A 77 -7.467 16.101 -23.397 1.00 72.13 H new ATOM 0 HA2 GLY A 77 -7.548 16.482 -25.887 1.00 33.14 H new ATOM 0 HA3 GLY A 77 -5.940 17.159 -25.720 1.00 33.14 H new ATOM 1190 N THR A 78 -5.804 14.453 -24.204 1.00 72.54 N ATOM 1191 CA THR A 78 -5.236 13.117 -24.129 1.00 22.21 C ATOM 1192 C THR A 78 -6.207 12.090 -24.715 1.00 2.52 C ATOM 1193 O THR A 78 -7.419 12.302 -24.706 1.00 4.33 O ATOM 1194 CB THR A 78 -4.867 12.841 -22.670 1.00 14.31 C ATOM 1195 OG1 THR A 78 -4.527 11.458 -22.654 1.00 2.22 O ATOM 1196 CG2 THR A 78 -6.072 12.940 -21.733 1.00 64.23 C ATOM 0 H THR A 78 -5.999 14.885 -23.301 1.00 72.54 H new ATOM 0 HA THR A 78 -4.329 13.039 -24.729 1.00 22.21 H new ATOM 0 HB THR A 78 -4.100 13.546 -22.350 1.00 14.31 H new ATOM 0 HG1 THR A 78 -4.123 11.230 -21.791 1.00 2.22 H new ATOM 0 HG21 THR A 78 -5.755 12.735 -20.710 1.00 64.23 H new ATOM 0 HG22 THR A 78 -6.494 13.943 -21.788 1.00 64.23 H new ATOM 0 HG23 THR A 78 -6.826 12.212 -22.032 1.00 64.23 H new ATOM 1204 N LYS A 79 -5.639 11.001 -25.211 1.00 44.33 N ATOM 1205 CA LYS A 79 -6.440 9.942 -25.800 1.00 42.52 C ATOM 1206 C LYS A 79 -6.485 8.750 -24.841 1.00 41.14 C ATOM 1207 O LYS A 79 -6.860 7.646 -25.235 1.00 0.42 O ATOM 1208 CB LYS A 79 -5.918 9.588 -27.195 1.00 10.55 C ATOM 1209 CG LYS A 79 -4.394 9.702 -27.255 1.00 62.22 C ATOM 1210 CD LYS A 79 -3.833 8.908 -28.437 1.00 44.22 C ATOM 1211 CE LYS A 79 -2.484 9.474 -28.886 1.00 74.45 C ATOM 1212 NZ LYS A 79 -1.718 8.455 -29.638 1.00 73.00 N1+ ATOM 0 H LYS A 79 -4.634 10.829 -25.217 1.00 44.33 H new ATOM 0 HA LYS A 79 -7.467 10.277 -25.944 1.00 42.52 H new ATOM 0 HB2 LYS A 79 -6.221 8.573 -27.454 1.00 10.55 H new ATOM 0 HB3 LYS A 79 -6.365 10.253 -27.934 1.00 10.55 H new ATOM 0 HG2 LYS A 79 -4.107 10.750 -27.346 1.00 62.22 H new ATOM 0 HG3 LYS A 79 -3.961 9.333 -26.325 1.00 62.22 H new ATOM 0 HD2 LYS A 79 -3.717 7.862 -28.155 1.00 44.22 H new ATOM 0 HD3 LYS A 79 -4.539 8.938 -29.267 1.00 44.22 H new ATOM 0 HE2 LYS A 79 -2.642 10.353 -29.511 1.00 74.45 H new ATOM 0 HE3 LYS A 79 -1.912 9.799 -28.017 1.00 74.45 H new ATOM 0 HZ1 LYS A 79 -0.806 8.856 -29.935 1.00 73.00 H new ATOM 0 HZ2 LYS A 79 -1.551 7.628 -29.030 1.00 73.00 H new ATOM 0 HZ3 LYS A 79 -2.258 8.164 -30.478 1.00 73.00 H new ATOM 1225 N MET A 80 -6.098 9.014 -23.602 1.00 72.20 N ATOM 1226 CA MET A 80 -6.091 7.977 -22.583 1.00 50.41 C ATOM 1227 C MET A 80 -7.457 7.864 -21.905 1.00 72.11 C ATOM 1228 O MET A 80 -7.872 8.770 -21.183 1.00 14.12 O ATOM 1229 CB MET A 80 -5.025 8.300 -21.534 1.00 3.55 C ATOM 1230 CG MET A 80 -5.149 7.373 -20.323 1.00 30.15 C ATOM 1231 SD MET A 80 -3.755 7.603 -19.232 1.00 1.13 S ATOM 1232 CE MET A 80 -4.572 7.467 -17.651 1.00 62.42 C ATOM 0 H MET A 80 -5.787 9.931 -23.280 1.00 72.20 H new ATOM 0 HA MET A 80 -5.865 7.024 -23.062 1.00 50.41 H new ATOM 0 HB2 MET A 80 -4.033 8.198 -21.975 1.00 3.55 H new ATOM 0 HB3 MET A 80 -5.127 9.337 -21.214 1.00 3.55 H new ATOM 0 HG2 MET A 80 -6.077 7.580 -19.790 1.00 30.15 H new ATOM 0 HG3 MET A 80 -5.196 6.335 -20.653 1.00 30.15 H new ATOM 0 HE1 MET A 80 -3.929 7.878 -16.873 1.00 62.42 H new ATOM 0 HE2 MET A 80 -5.510 8.022 -17.677 1.00 62.42 H new ATOM 0 HE3 MET A 80 -4.777 6.418 -17.436 1.00 62.42 H new ATOM 1242 N ILE A 81 -8.119 6.745 -22.161 1.00 13.21 N ATOM 1243 CA ILE A 81 -9.430 6.502 -21.584 1.00 23.44 C ATOM 1244 C ILE A 81 -9.276 5.659 -20.317 1.00 45.24 C ATOM 1245 O ILE A 81 -9.228 4.431 -20.386 1.00 72.32 O ATOM 1246 CB ILE A 81 -10.367 5.885 -22.624 1.00 15.12 C ATOM 1247 CG1 ILE A 81 -10.413 6.737 -23.894 1.00 34.32 C ATOM 1248 CG2 ILE A 81 -11.761 5.653 -22.038 1.00 72.31 C ATOM 1249 CD1 ILE A 81 -10.835 8.173 -23.576 1.00 54.13 C ATOM 0 H ILE A 81 -7.772 5.996 -22.761 1.00 13.21 H new ATOM 0 HA ILE A 81 -9.896 7.442 -21.287 1.00 23.44 H new ATOM 0 HB ILE A 81 -9.970 4.909 -22.905 1.00 15.12 H new ATOM 0 HG12 ILE A 81 -9.433 6.739 -24.370 1.00 34.32 H new ATOM 0 HG13 ILE A 81 -11.112 6.298 -24.606 1.00 34.32 H new ATOM 0 HG21 ILE A 81 -12.407 5.214 -22.798 1.00 72.31 H new ATOM 0 HG22 ILE A 81 -11.690 4.976 -21.187 1.00 72.31 H new ATOM 0 HG23 ILE A 81 -12.181 6.604 -21.711 1.00 72.31 H new ATOM 0 HD11 ILE A 81 -10.860 8.757 -24.496 1.00 54.13 H new ATOM 0 HD12 ILE A 81 -11.826 8.169 -23.122 1.00 54.13 H new ATOM 0 HD13 ILE A 81 -10.120 8.617 -22.883 1.00 54.13 H new ATOM 1261 N PHE A 82 -9.205 6.350 -19.189 1.00 75.01 N ATOM 1262 CA PHE A 82 -9.057 5.680 -17.908 1.00 45.32 C ATOM 1263 C PHE A 82 -10.243 5.986 -16.990 1.00 15.33 C ATOM 1264 O PHE A 82 -10.689 7.129 -16.906 1.00 42.22 O ATOM 1265 CB PHE A 82 -7.778 6.219 -17.265 1.00 14.43 C ATOM 1266 CG PHE A 82 -7.360 5.477 -15.994 1.00 45.43 C ATOM 1267 CD1 PHE A 82 -7.491 4.126 -15.922 1.00 11.34 C ATOM 1268 CD2 PHE A 82 -6.856 6.170 -14.938 1.00 71.04 C ATOM 1269 CE1 PHE A 82 -7.103 3.438 -14.742 1.00 13.13 C ATOM 1270 CE2 PHE A 82 -6.468 5.481 -13.759 1.00 71.25 C ATOM 1271 CZ PHE A 82 -6.599 4.130 -13.685 1.00 22.42 C ATOM 0 H PHE A 82 -9.247 7.368 -19.135 1.00 75.01 H new ATOM 0 HA PHE A 82 -9.014 4.601 -18.056 1.00 45.32 H new ATOM 0 HB2 PHE A 82 -6.967 6.161 -17.991 1.00 14.43 H new ATOM 0 HB3 PHE A 82 -7.919 7.274 -17.028 1.00 14.43 H new ATOM 0 HD1 PHE A 82 -7.890 3.576 -16.762 1.00 11.34 H new ATOM 0 HD2 PHE A 82 -6.751 7.243 -14.996 1.00 71.04 H new ATOM 0 HE1 PHE A 82 -7.208 2.365 -14.684 1.00 13.13 H new ATOM 0 HE2 PHE A 82 -6.068 6.031 -12.920 1.00 71.25 H new ATOM 0 HZ PHE A 82 -6.303 3.607 -12.788 1.00 22.42 H new ATOM 1281 N VAL A 83 -10.719 4.943 -16.325 1.00 43.41 N ATOM 1282 CA VAL A 83 -11.845 5.085 -15.417 1.00 44.03 C ATOM 1283 C VAL A 83 -11.437 5.981 -14.245 1.00 4.21 C ATOM 1284 O VAL A 83 -12.292 6.492 -13.524 1.00 54.11 O ATOM 1285 CB VAL A 83 -12.337 3.707 -14.974 1.00 25.21 C ATOM 1286 CG1 VAL A 83 -13.200 3.811 -13.715 1.00 45.31 C ATOM 1287 CG2 VAL A 83 -13.096 3.006 -16.103 1.00 35.41 C ATOM 0 H VAL A 83 -10.346 3.997 -16.397 1.00 43.41 H new ATOM 0 HA VAL A 83 -12.684 5.567 -15.919 1.00 44.03 H new ATOM 0 HB VAL A 83 -11.463 3.102 -14.732 1.00 25.21 H new ATOM 0 HG11 VAL A 83 -13.537 2.817 -13.422 1.00 45.31 H new ATOM 0 HG12 VAL A 83 -12.614 4.249 -12.907 1.00 45.31 H new ATOM 0 HG13 VAL A 83 -14.065 4.442 -13.918 1.00 45.31 H new ATOM 0 HG21 VAL A 83 -13.435 2.028 -15.761 1.00 35.41 H new ATOM 0 HG22 VAL A 83 -13.958 3.608 -16.391 1.00 35.41 H new ATOM 0 HG23 VAL A 83 -12.437 2.882 -16.962 1.00 35.41 H new ATOM 1297 N GLY A 84 -10.131 6.141 -14.090 1.00 4.04 N ATOM 1298 CA GLY A 84 -9.601 6.966 -13.017 1.00 52.24 C ATOM 1299 C GLY A 84 -9.749 6.266 -11.665 1.00 70.24 C ATOM 1300 O GLY A 84 -10.346 5.194 -11.578 1.00 15.11 O ATOM 0 H GLY A 84 -9.424 5.714 -14.689 1.00 4.04 H new ATOM 0 HA2 GLY A 84 -8.550 7.183 -13.205 1.00 52.24 H new ATOM 0 HA3 GLY A 84 -10.125 7.922 -12.995 1.00 52.24 H new ATOM 1304 N ILE A 85 -9.195 6.903 -10.642 1.00 33.41 N ATOM 1305 CA ILE A 85 -9.259 6.356 -9.298 1.00 44.34 C ATOM 1306 C ILE A 85 -9.596 7.475 -8.312 1.00 34.42 C ATOM 1307 O ILE A 85 -9.347 8.647 -8.589 1.00 13.31 O ATOM 1308 CB ILE A 85 -7.966 5.609 -8.961 1.00 61.04 C ATOM 1309 CG1 ILE A 85 -7.761 4.417 -9.900 1.00 21.04 C ATOM 1310 CG2 ILE A 85 -7.941 5.191 -7.491 1.00 53.31 C ATOM 1311 CD1 ILE A 85 -6.290 3.999 -9.941 1.00 62.43 C ATOM 0 H ILE A 85 -8.700 7.792 -10.718 1.00 33.41 H new ATOM 0 HA ILE A 85 -10.056 5.616 -9.226 1.00 44.34 H new ATOM 0 HB ILE A 85 -7.128 6.289 -9.116 1.00 61.04 H new ATOM 0 HG12 ILE A 85 -8.372 3.578 -9.567 1.00 21.04 H new ATOM 0 HG13 ILE A 85 -8.097 4.678 -10.904 1.00 21.04 H new ATOM 0 HG21 ILE A 85 -7.012 4.662 -7.279 1.00 53.31 H new ATOM 0 HG22 ILE A 85 -8.007 6.077 -6.860 1.00 53.31 H new ATOM 0 HG23 ILE A 85 -8.787 4.535 -7.285 1.00 53.31 H new ATOM 0 HD11 ILE A 85 -6.171 3.151 -10.615 1.00 62.43 H new ATOM 0 HD12 ILE A 85 -5.685 4.833 -10.297 1.00 62.43 H new ATOM 0 HD13 ILE A 85 -5.964 3.716 -8.940 1.00 62.43 H new ATOM 1323 N LYS A 86 -10.158 7.074 -7.181 1.00 65.04 N ATOM 1324 CA LYS A 86 -10.533 8.030 -6.152 1.00 4.54 C ATOM 1325 C LYS A 86 -9.878 7.629 -4.828 1.00 23.40 C ATOM 1326 O LYS A 86 -9.338 8.477 -4.117 1.00 42.24 O ATOM 1327 CB LYS A 86 -12.055 8.160 -6.069 1.00 51.42 C ATOM 1328 CG LYS A 86 -12.460 9.537 -5.542 1.00 2.32 C ATOM 1329 CD LYS A 86 -12.459 9.561 -4.012 1.00 43.02 C ATOM 1330 CE LYS A 86 -12.695 10.978 -3.485 1.00 63.30 C ATOM 1331 NZ LYS A 86 -12.582 11.008 -2.010 1.00 13.13 N1+ ATOM 0 H LYS A 86 -10.363 6.101 -6.954 1.00 65.04 H new ATOM 0 HA LYS A 86 -10.165 9.025 -6.404 1.00 4.54 H new ATOM 0 HB2 LYS A 86 -12.491 8.002 -7.055 1.00 51.42 H new ATOM 0 HB3 LYS A 86 -12.455 7.385 -5.415 1.00 51.42 H new ATOM 0 HG2 LYS A 86 -11.772 10.292 -5.921 1.00 2.32 H new ATOM 0 HG3 LYS A 86 -13.452 9.795 -5.913 1.00 2.32 H new ATOM 0 HD2 LYS A 86 -13.234 8.895 -3.634 1.00 43.02 H new ATOM 0 HD3 LYS A 86 -11.506 9.185 -3.640 1.00 43.02 H new ATOM 0 HE2 LYS A 86 -11.969 11.662 -3.925 1.00 63.30 H new ATOM 0 HE3 LYS A 86 -13.683 11.325 -3.787 1.00 63.30 H new ATOM 0 HZ1 LYS A 86 -12.745 11.977 -1.669 1.00 13.13 H new ATOM 0 HZ2 LYS A 86 -13.291 10.371 -1.594 1.00 13.13 H new ATOM 0 HZ3 LYS A 86 -11.630 10.697 -1.728 1.00 13.13 H new ATOM 1344 N LYS A 87 -9.946 6.339 -4.537 1.00 14.22 N ATOM 1345 CA LYS A 87 -9.367 5.817 -3.311 1.00 74.32 C ATOM 1346 C LYS A 87 -7.908 6.266 -3.210 1.00 52.11 C ATOM 1347 O LYS A 87 -7.210 6.352 -4.220 1.00 61.33 O ATOM 1348 CB LYS A 87 -9.550 4.300 -3.236 1.00 24.34 C ATOM 1349 CG LYS A 87 -10.984 3.939 -2.846 1.00 3.32 C ATOM 1350 CD LYS A 87 -11.885 3.858 -4.080 1.00 34.24 C ATOM 1351 CE LYS A 87 -13.187 3.119 -3.762 1.00 64.11 C ATOM 1352 NZ LYS A 87 -12.966 1.655 -3.773 1.00 73.24 N1+ ATOM 0 H LYS A 87 -10.393 5.639 -5.129 1.00 14.22 H new ATOM 0 HA LYS A 87 -9.886 6.221 -2.442 1.00 74.32 H new ATOM 0 HB2 LYS A 87 -9.308 3.853 -4.200 1.00 24.34 H new ATOM 0 HB3 LYS A 87 -8.855 3.882 -2.508 1.00 24.34 H new ATOM 0 HG2 LYS A 87 -10.992 2.983 -2.322 1.00 3.32 H new ATOM 0 HG3 LYS A 87 -11.375 4.685 -2.154 1.00 3.32 H new ATOM 0 HD2 LYS A 87 -12.111 4.863 -4.436 1.00 34.24 H new ATOM 0 HD3 LYS A 87 -11.359 3.345 -4.885 1.00 34.24 H new ATOM 0 HE2 LYS A 87 -13.560 3.430 -2.786 1.00 64.11 H new ATOM 0 HE3 LYS A 87 -13.951 3.383 -4.494 1.00 64.11 H new ATOM 0 HZ1 LYS A 87 -13.866 1.167 -3.589 1.00 73.24 H new ATOM 0 HZ2 LYS A 87 -12.599 1.366 -4.702 1.00 73.24 H new ATOM 0 HZ3 LYS A 87 -12.278 1.402 -3.035 1.00 73.24 H new ATOM 1365 N LYS A 88 -7.490 6.539 -1.983 1.00 3.10 N ATOM 1366 CA LYS A 88 -6.126 6.977 -1.737 1.00 50.44 C ATOM 1367 C LYS A 88 -5.223 5.752 -1.575 1.00 62.35 C ATOM 1368 O LYS A 88 -4.069 5.767 -2.003 1.00 5.43 O ATOM 1369 CB LYS A 88 -6.078 7.937 -0.548 1.00 32.15 C ATOM 1370 CG LYS A 88 -4.649 8.419 -0.290 1.00 53.14 C ATOM 1371 CD LYS A 88 -4.543 9.119 1.068 1.00 21.14 C ATOM 1372 CE LYS A 88 -3.085 9.218 1.521 1.00 11.43 C ATOM 1373 NZ LYS A 88 -2.228 9.691 0.411 1.00 32.04 N1+ ATOM 0 H LYS A 88 -8.072 6.465 -1.148 1.00 3.10 H new ATOM 0 HA LYS A 88 -5.748 7.542 -2.589 1.00 50.44 H new ATOM 0 HB2 LYS A 88 -6.725 8.793 -0.741 1.00 32.15 H new ATOM 0 HB3 LYS A 88 -6.464 7.439 0.342 1.00 32.15 H new ATOM 0 HG2 LYS A 88 -3.964 7.571 -0.321 1.00 53.14 H new ATOM 0 HG3 LYS A 88 -4.344 9.104 -1.081 1.00 53.14 H new ATOM 0 HD2 LYS A 88 -4.975 10.117 1.001 1.00 21.14 H new ATOM 0 HD3 LYS A 88 -5.122 8.570 1.811 1.00 21.14 H new ATOM 0 HE2 LYS A 88 -3.006 9.902 2.366 1.00 11.43 H new ATOM 0 HE3 LYS A 88 -2.738 8.244 1.866 1.00 11.43 H new ATOM 0 HZ1 LYS A 88 -1.348 10.088 0.797 1.00 32.04 H new ATOM 0 HZ2 LYS A 88 -2.002 8.894 -0.217 1.00 32.04 H new ATOM 0 HZ3 LYS A 88 -2.731 10.424 -0.128 1.00 32.04 H new ATOM 1386 N GLU A 89 -5.782 4.722 -0.958 1.00 24.00 N ATOM 1387 CA GLU A 89 -5.042 3.492 -0.735 1.00 53.30 C ATOM 1388 C GLU A 89 -4.946 2.687 -2.033 1.00 33.12 C ATOM 1389 O GLU A 89 -4.346 1.613 -2.058 1.00 21.33 O ATOM 1390 CB GLU A 89 -5.680 2.662 0.380 1.00 23.22 C ATOM 1391 CG GLU A 89 -5.967 3.524 1.612 1.00 22.23 C ATOM 1392 CD GLU A 89 -7.100 2.928 2.447 1.00 40.42 C ATOM 1393 OE1 GLU A 89 -7.062 1.734 2.781 1.00 70.43 O ATOM 1394 OE2 GLU A 89 -8.045 3.752 2.752 1.00 40.44 O1- ATOM 0 H GLU A 89 -6.739 4.714 -0.605 1.00 24.00 H new ATOM 0 HA GLU A 89 -4.032 3.751 -0.416 1.00 53.30 H new ATOM 0 HB2 GLU A 89 -6.607 2.216 0.020 1.00 23.22 H new ATOM 0 HB3 GLU A 89 -5.016 1.842 0.653 1.00 23.22 H new ATOM 0 HG2 GLU A 89 -5.066 3.606 2.221 1.00 22.23 H new ATOM 0 HG3 GLU A 89 -6.233 4.534 1.300 1.00 22.23 H new ATOM 1402 N GLU A 90 -5.546 3.237 -3.078 1.00 72.24 N ATOM 1403 CA GLU A 90 -5.536 2.583 -4.376 1.00 0.45 C ATOM 1404 C GLU A 90 -4.352 3.076 -5.209 1.00 42.01 C ATOM 1405 O GLU A 90 -3.417 2.321 -5.474 1.00 73.10 O ATOM 1406 CB GLU A 90 -6.857 2.808 -5.113 1.00 22.42 C ATOM 1407 CG GLU A 90 -6.723 2.464 -6.598 1.00 43.23 C ATOM 1408 CD GLU A 90 -6.495 0.963 -6.793 1.00 20.55 C ATOM 1409 OE1 GLU A 90 -6.173 0.526 -7.908 1.00 5.43 O ATOM 1410 OE2 GLU A 90 -6.661 0.243 -5.735 1.00 12.21 O1- ATOM 0 H GLU A 90 -6.042 4.128 -3.053 1.00 72.24 H new ATOM 0 HA GLU A 90 -5.423 1.510 -4.220 1.00 0.45 H new ATOM 0 HB2 GLU A 90 -7.637 2.194 -4.663 1.00 22.42 H new ATOM 0 HB3 GLU A 90 -7.166 3.848 -5.003 1.00 22.42 H new ATOM 0 HG2 GLU A 90 -7.624 2.771 -7.129 1.00 43.23 H new ATOM 0 HG3 GLU A 90 -5.892 3.021 -7.031 1.00 43.23 H new ATOM 1418 N ARG A 91 -4.430 4.340 -5.600 1.00 31.04 N ATOM 1419 CA ARG A 91 -3.375 4.943 -6.398 1.00 55.13 C ATOM 1420 C ARG A 91 -2.025 4.791 -5.696 1.00 34.33 C ATOM 1421 O ARG A 91 -1.020 4.482 -6.334 1.00 24.42 O ATOM 1422 CB ARG A 91 -3.651 6.427 -6.644 1.00 21.11 C ATOM 1423 CG ARG A 91 -5.087 6.646 -7.124 1.00 71.31 C ATOM 1424 CD ARG A 91 -5.229 7.995 -7.832 1.00 2.23 C ATOM 1425 NE ARG A 91 -5.126 9.096 -6.848 1.00 24.12 N ATOM 1426 CZ ARG A 91 -6.048 9.349 -5.895 1.00 72.21 C ATOM 1427 NH1 ARG A 91 -7.153 8.580 -5.789 1.00 52.41 N ATOM 1428 NH2 ARG A 91 -5.854 10.359 -5.068 1.00 72.51 N1+ ATOM 0 H ARG A 91 -5.207 4.963 -5.379 1.00 31.04 H new ATOM 0 HA ARG A 91 -3.349 4.426 -7.357 1.00 55.13 H new ATOM 0 HB2 ARG A 91 -3.481 6.989 -5.726 1.00 21.11 H new ATOM 0 HB3 ARG A 91 -2.953 6.812 -7.387 1.00 21.11 H new ATOM 0 HG2 ARG A 91 -5.374 5.843 -7.803 1.00 71.31 H new ATOM 0 HG3 ARG A 91 -5.769 6.604 -6.274 1.00 71.31 H new ATOM 0 HD2 ARG A 91 -4.453 8.100 -8.591 1.00 2.23 H new ATOM 0 HD3 ARG A 91 -6.188 8.045 -8.348 1.00 2.23 H new ATOM 0 HE ARG A 91 -4.307 9.702 -6.893 1.00 24.12 H new ATOM 0 HH11 ARG A 91 -7.296 7.801 -6.432 1.00 52.41 H new ATOM 0 HH12 ARG A 91 -7.845 8.778 -5.066 1.00 52.41 H new ATOM 0 HH21 ARG A 91 -5.017 10.935 -5.154 1.00 72.51 H new ATOM 0 HH22 ARG A 91 -6.541 10.563 -4.342 1.00 72.51 H new ATOM 1441 N ALA A 92 -2.045 5.015 -4.390 1.00 44.03 N ATOM 1442 CA ALA A 92 -0.834 4.908 -3.594 1.00 4.24 C ATOM 1443 C ALA A 92 -0.193 3.539 -3.830 1.00 44.10 C ATOM 1444 O ALA A 92 1.002 3.361 -3.599 1.00 25.42 O ATOM 1445 CB ALA A 92 -1.169 5.148 -2.120 1.00 24.15 C ATOM 0 H ALA A 92 -2.881 5.270 -3.863 1.00 44.03 H new ATOM 0 HA ALA A 92 -0.111 5.667 -3.892 1.00 4.24 H new ATOM 0 HB1 ALA A 92 -0.261 5.068 -1.523 1.00 24.15 H new ATOM 0 HB2 ALA A 92 -1.595 6.144 -2.001 1.00 24.15 H new ATOM 0 HB3 ALA A 92 -1.891 4.403 -1.785 1.00 24.15 H new ATOM 1451 N ASP A 93 -1.017 2.607 -4.287 1.00 13.32 N ATOM 1452 CA ASP A 93 -0.544 1.260 -4.558 1.00 41.32 C ATOM 1453 C ASP A 93 -0.187 1.137 -6.040 1.00 30.23 C ATOM 1454 O ASP A 93 0.961 0.861 -6.385 1.00 20.11 O ATOM 1455 CB ASP A 93 -1.627 0.224 -4.247 1.00 51.12 C ATOM 1456 CG ASP A 93 -2.223 0.315 -2.841 1.00 14.42 C ATOM 1457 OD1 ASP A 93 -3.022 -0.539 -2.428 1.00 11.21 O ATOM 1458 OD2 ASP A 93 -1.832 1.330 -2.147 1.00 61.21 O1- ATOM 0 H ASP A 93 -2.008 2.758 -4.476 1.00 13.32 H new ATOM 0 HA ASP A 93 0.326 1.075 -3.928 1.00 41.32 H new ATOM 0 HB2 ASP A 93 -2.432 0.332 -4.974 1.00 51.12 H new ATOM 0 HB3 ASP A 93 -1.206 -0.772 -4.383 1.00 51.12 H new ATOM 1464 N LEU A 94 -1.190 1.348 -6.879 1.00 1.20 N ATOM 1465 CA LEU A 94 -0.997 1.265 -8.316 1.00 74.05 C ATOM 1466 C LEU A 94 0.289 2.003 -8.696 1.00 42.32 C ATOM 1467 O LEU A 94 0.936 1.661 -9.684 1.00 60.31 O ATOM 1468 CB LEU A 94 -2.237 1.770 -9.055 1.00 54.11 C ATOM 1469 CG LEU A 94 -2.319 1.424 -10.543 1.00 72.20 C ATOM 1470 CD1 LEU A 94 -1.650 2.505 -11.395 1.00 35.13 C ATOM 1471 CD2 LEU A 94 -1.734 0.037 -10.817 1.00 30.44 C ATOM 0 H LEU A 94 -2.141 1.577 -6.590 1.00 1.20 H new ATOM 0 HA LEU A 94 -0.873 0.227 -8.624 1.00 74.05 H new ATOM 0 HB2 LEU A 94 -3.120 1.367 -8.559 1.00 54.11 H new ATOM 0 HB3 LEU A 94 -2.281 2.854 -8.952 1.00 54.11 H new ATOM 0 HG LEU A 94 -3.371 1.393 -10.828 1.00 72.20 H new ATOM 0 HD11 LEU A 94 -1.722 2.235 -12.448 1.00 35.13 H new ATOM 0 HD12 LEU A 94 -2.150 3.459 -11.230 1.00 35.13 H new ATOM 0 HD13 LEU A 94 -0.600 2.592 -11.114 1.00 35.13 H new ATOM 0 HD21 LEU A 94 -1.805 -0.184 -11.882 1.00 30.44 H new ATOM 0 HD22 LEU A 94 -0.688 0.016 -10.511 1.00 30.44 H new ATOM 0 HD23 LEU A 94 -2.292 -0.711 -10.253 1.00 30.44 H new ATOM 1483 N ILE A 95 0.620 3.002 -7.891 1.00 14.42 N ATOM 1484 CA ILE A 95 1.816 3.791 -8.129 1.00 64.13 C ATOM 1485 C ILE A 95 3.027 3.065 -7.540 1.00 4.02 C ATOM 1486 O ILE A 95 4.087 3.013 -8.161 1.00 25.25 O ATOM 1487 CB ILE A 95 1.633 5.215 -7.599 1.00 34.32 C ATOM 1488 CG1 ILE A 95 0.484 5.923 -8.318 1.00 4.41 C ATOM 1489 CG2 ILE A 95 2.941 6.004 -7.690 1.00 33.12 C ATOM 1490 CD1 ILE A 95 0.191 7.282 -7.676 1.00 42.01 C ATOM 0 H ILE A 95 0.080 3.283 -7.073 1.00 14.42 H new ATOM 0 HA ILE A 95 1.997 3.895 -9.199 1.00 64.13 H new ATOM 0 HB ILE A 95 1.365 5.157 -6.544 1.00 34.32 H new ATOM 0 HG12 ILE A 95 0.737 6.060 -9.369 1.00 4.41 H new ATOM 0 HG13 ILE A 95 -0.410 5.300 -8.284 1.00 4.41 H new ATOM 0 HG21 ILE A 95 2.785 7.013 -7.307 1.00 33.12 H new ATOM 0 HG22 ILE A 95 3.708 5.506 -7.097 1.00 33.12 H new ATOM 0 HG23 ILE A 95 3.263 6.056 -8.730 1.00 33.12 H new ATOM 0 HD11 ILE A 95 -0.630 7.765 -8.206 1.00 42.01 H new ATOM 0 HD12 ILE A 95 -0.085 7.139 -6.631 1.00 42.01 H new ATOM 0 HD13 ILE A 95 1.080 7.911 -7.733 1.00 42.01 H new ATOM 1502 N ALA A 96 2.830 2.524 -6.347 1.00 33.14 N ATOM 1503 CA ALA A 96 3.892 1.804 -5.666 1.00 12.15 C ATOM 1504 C ALA A 96 4.465 0.741 -6.606 1.00 53.11 C ATOM 1505 O ALA A 96 5.674 0.688 -6.825 1.00 25.00 O ATOM 1506 CB ALA A 96 3.351 1.204 -4.366 1.00 44.52 C ATOM 0 H ALA A 96 1.950 2.570 -5.834 1.00 33.14 H new ATOM 0 HA ALA A 96 4.704 2.480 -5.399 1.00 12.15 H new ATOM 0 HB1 ALA A 96 4.148 0.664 -3.855 1.00 44.52 H new ATOM 0 HB2 ALA A 96 2.983 2.003 -3.722 1.00 44.52 H new ATOM 0 HB3 ALA A 96 2.536 0.517 -4.594 1.00 44.52 H new ATOM 1512 N TYR A 97 3.570 -0.079 -7.134 1.00 1.44 N ATOM 1513 CA TYR A 97 3.971 -1.138 -8.045 1.00 62.31 C ATOM 1514 C TYR A 97 4.889 -0.598 -9.144 1.00 21.40 C ATOM 1515 O TYR A 97 5.924 -1.193 -9.442 1.00 22.13 O ATOM 1516 CB TYR A 97 2.681 -1.657 -8.683 1.00 54.22 C ATOM 1517 CG TYR A 97 2.888 -2.342 -10.036 1.00 33.23 C ATOM 1518 CD1 TYR A 97 3.606 -3.518 -10.111 1.00 70.44 C ATOM 1519 CD2 TYR A 97 2.356 -1.783 -11.181 1.00 73.34 C ATOM 1520 CE1 TYR A 97 3.799 -4.162 -11.385 1.00 61.32 C ATOM 1521 CE2 TYR A 97 2.551 -2.427 -12.454 1.00 72.22 C ATOM 1522 CZ TYR A 97 3.263 -3.585 -12.493 1.00 14.22 C ATOM 1523 OH TYR A 97 3.447 -4.194 -13.696 1.00 3.20 O ATOM 0 H TYR A 97 2.568 -0.032 -6.949 1.00 1.44 H new ATOM 0 HA TYR A 97 4.516 -1.917 -7.512 1.00 62.31 H new ATOM 0 HB2 TYR A 97 2.207 -2.361 -7.999 1.00 54.22 H new ATOM 0 HB3 TYR A 97 1.990 -0.824 -8.811 1.00 54.22 H new ATOM 0 HD1 TYR A 97 4.023 -3.955 -9.216 1.00 70.44 H new ATOM 0 HD2 TYR A 97 1.794 -0.863 -11.122 1.00 73.34 H new ATOM 0 HE1 TYR A 97 4.358 -5.083 -11.458 1.00 61.32 H new ATOM 0 HE2 TYR A 97 2.141 -2.000 -13.357 1.00 72.22 H new ATOM 0 HH TYR A 97 3.008 -3.670 -14.398 1.00 3.20 H new ATOM 1533 N LEU A 98 4.475 0.524 -9.717 1.00 55.30 N ATOM 1534 CA LEU A 98 5.248 1.151 -10.776 1.00 10.43 C ATOM 1535 C LEU A 98 6.645 1.488 -10.253 1.00 50.54 C ATOM 1536 O LEU A 98 7.636 1.315 -10.960 1.00 71.33 O ATOM 1537 CB LEU A 98 4.496 2.357 -11.344 1.00 25.13 C ATOM 1538 CG LEU A 98 3.163 2.053 -12.031 1.00 4.11 C ATOM 1539 CD1 LEU A 98 2.366 3.337 -12.273 1.00 43.25 C ATOM 1540 CD2 LEU A 98 3.380 1.263 -13.323 1.00 11.03 C ATOM 0 H LEU A 98 3.616 1.014 -9.468 1.00 55.30 H new ATOM 0 HA LEU A 98 5.379 0.463 -11.611 1.00 10.43 H new ATOM 0 HB2 LEU A 98 4.312 3.060 -10.532 1.00 25.13 H new ATOM 0 HB3 LEU A 98 5.145 2.860 -12.061 1.00 25.13 H new ATOM 0 HG LEU A 98 2.571 1.426 -11.365 1.00 4.11 H new ATOM 0 HD11 LEU A 98 1.423 3.093 -12.762 1.00 43.25 H new ATOM 0 HD12 LEU A 98 2.164 3.825 -11.320 1.00 43.25 H new ATOM 0 HD13 LEU A 98 2.942 4.008 -12.910 1.00 43.25 H new ATOM 0 HD21 LEU A 98 2.417 1.060 -13.791 1.00 11.03 H new ATOM 0 HD22 LEU A 98 4.000 1.845 -14.005 1.00 11.03 H new ATOM 0 HD23 LEU A 98 3.878 0.321 -13.094 1.00 11.03 H new ATOM 1552 N LYS A 99 6.680 1.963 -9.016 1.00 73.11 N ATOM 1553 CA LYS A 99 7.939 2.326 -8.389 1.00 1.31 C ATOM 1554 C LYS A 99 8.800 1.072 -8.220 1.00 71.25 C ATOM 1555 O LYS A 99 9.990 1.167 -7.927 1.00 53.02 O ATOM 1556 CB LYS A 99 7.689 3.081 -7.083 1.00 31.34 C ATOM 1557 CG LYS A 99 7.607 4.589 -7.328 1.00 15.41 C ATOM 1558 CD LYS A 99 6.167 5.021 -7.612 1.00 1.10 C ATOM 1559 CE LYS A 99 5.926 6.460 -7.151 1.00 13.50 C ATOM 1560 NZ LYS A 99 5.474 6.484 -5.742 1.00 12.44 N1+ ATOM 0 H LYS A 99 5.856 2.105 -8.432 1.00 73.11 H new ATOM 0 HA LYS A 99 8.497 3.013 -9.025 1.00 1.31 H new ATOM 0 HB2 LYS A 99 6.762 2.732 -6.629 1.00 31.34 H new ATOM 0 HB3 LYS A 99 8.490 2.867 -6.376 1.00 31.34 H new ATOM 0 HG2 LYS A 99 7.986 5.124 -6.457 1.00 15.41 H new ATOM 0 HG3 LYS A 99 8.244 4.859 -8.170 1.00 15.41 H new ATOM 0 HD2 LYS A 99 5.962 4.938 -8.679 1.00 1.10 H new ATOM 0 HD3 LYS A 99 5.475 4.351 -7.102 1.00 1.10 H new ATOM 0 HE2 LYS A 99 6.843 7.040 -7.255 1.00 13.50 H new ATOM 0 HE3 LYS A 99 5.177 6.931 -7.787 1.00 13.50 H new ATOM 0 HZ1 LYS A 99 4.620 7.072 -5.661 1.00 12.44 H new ATOM 0 HZ2 LYS A 99 5.258 5.516 -5.430 1.00 12.44 H new ATOM 0 HZ3 LYS A 99 6.226 6.881 -5.143 1.00 12.44 H new ATOM 1573 N LYS A 100 8.163 -0.075 -8.411 1.00 63.15 N ATOM 1574 CA LYS A 100 8.855 -1.345 -8.282 1.00 72.41 C ATOM 1575 C LYS A 100 8.883 -2.045 -9.642 1.00 64.54 C ATOM 1576 O LYS A 100 9.564 -3.055 -9.811 1.00 30.00 O ATOM 1577 CB LYS A 100 8.226 -2.187 -7.171 1.00 4.54 C ATOM 1578 CG LYS A 100 8.809 -3.602 -7.159 1.00 42.24 C ATOM 1579 CD LYS A 100 10.323 -3.570 -6.945 1.00 15.32 C ATOM 1580 CE LYS A 100 10.812 -4.865 -6.292 1.00 64.41 C ATOM 1581 NZ LYS A 100 10.391 -6.039 -7.089 1.00 13.11 N1+ ATOM 0 H LYS A 100 7.175 -0.150 -8.654 1.00 63.15 H new ATOM 0 HA LYS A 100 9.891 -1.186 -7.983 1.00 72.41 H new ATOM 0 HB2 LYS A 100 8.399 -1.710 -6.206 1.00 4.54 H new ATOM 0 HB3 LYS A 100 7.146 -2.236 -7.313 1.00 4.54 H new ATOM 0 HG2 LYS A 100 8.339 -4.186 -6.368 1.00 42.24 H new ATOM 0 HG3 LYS A 100 8.582 -4.101 -8.101 1.00 42.24 H new ATOM 0 HD2 LYS A 100 10.826 -3.428 -7.901 1.00 15.32 H new ATOM 0 HD3 LYS A 100 10.587 -2.719 -6.317 1.00 15.32 H new ATOM 0 HE2 LYS A 100 11.898 -4.848 -6.205 1.00 64.41 H new ATOM 0 HE3 LYS A 100 10.413 -4.943 -5.281 1.00 64.41 H new ATOM 0 HZ1 LYS A 100 10.907 -6.882 -6.765 1.00 13.11 H new ATOM 0 HZ2 LYS A 100 9.369 -6.191 -6.970 1.00 13.11 H new ATOM 0 HZ3 LYS A 100 10.601 -5.870 -8.093 1.00 13.11 H new ATOM 1594 N ALA A 101 8.133 -1.480 -10.578 1.00 71.41 N ATOM 1595 CA ALA A 101 8.064 -2.037 -11.919 1.00 62.32 C ATOM 1596 C ALA A 101 9.048 -1.296 -12.826 1.00 15.30 C ATOM 1597 O ALA A 101 10.107 -1.823 -13.162 1.00 73.54 O ATOM 1598 CB ALA A 101 6.625 -1.958 -12.431 1.00 63.13 C ATOM 0 H ALA A 101 7.568 -0.643 -10.434 1.00 71.41 H new ATOM 0 HA ALA A 101 8.350 -3.089 -11.913 1.00 62.32 H new ATOM 0 HB1 ALA A 101 6.573 -2.376 -13.436 1.00 63.13 H new ATOM 0 HB2 ALA A 101 5.971 -2.525 -11.768 1.00 63.13 H new ATOM 0 HB3 ALA A 101 6.303 -0.917 -12.454 1.00 63.13 H new ATOM 1604 N THR A 102 8.662 -0.083 -13.197 1.00 2.02 N ATOM 1605 CA THR A 102 9.497 0.736 -14.058 1.00 71.34 C ATOM 1606 C THR A 102 10.846 1.011 -13.390 1.00 12.43 C ATOM 1607 O THR A 102 11.818 1.351 -14.063 1.00 41.24 O ATOM 1608 CB THR A 102 8.718 2.008 -14.400 1.00 15.35 C ATOM 1609 OG1 THR A 102 9.719 2.917 -14.851 1.00 54.52 O ATOM 1610 CG2 THR A 102 8.130 2.686 -13.161 1.00 62.44 C ATOM 0 H THR A 102 7.783 0.351 -12.917 1.00 2.02 H new ATOM 0 HA THR A 102 9.731 0.220 -14.989 1.00 71.34 H new ATOM 0 HB THR A 102 7.915 1.766 -15.096 1.00 15.35 H new ATOM 0 HG1 THR A 102 9.723 3.711 -14.276 1.00 54.52 H new ATOM 0 HG21 THR A 102 7.588 3.583 -13.460 1.00 62.44 H new ATOM 0 HG22 THR A 102 7.448 1.999 -12.660 1.00 62.44 H new ATOM 0 HG23 THR A 102 8.935 2.959 -12.479 1.00 62.44 H new ATOM 1618 N ASN A 103 10.862 0.853 -12.075 1.00 4.21 N ATOM 1619 CA ASN A 103 12.075 1.079 -11.308 1.00 22.31 C ATOM 1620 C ASN A 103 13.073 -0.044 -11.597 1.00 72.30 C ATOM 1621 O ASN A 103 14.273 0.116 -11.380 1.00 23.40 O ATOM 1622 CB ASN A 103 11.785 1.080 -9.806 1.00 0.14 C ATOM 1623 CG ASN A 103 13.081 0.996 -8.998 1.00 54.24 C ATOM 1624 OD1 ASN A 103 13.324 0.055 -8.259 1.00 3.22 O ATOM 1625 ND2 ASN A 103 13.900 2.029 -9.177 1.00 60.01 N ATOM 0 H ASN A 103 10.054 0.571 -11.521 1.00 4.21 H new ATOM 0 HA ASN A 103 12.481 2.048 -11.597 1.00 22.31 H new ATOM 0 HB2 ASN A 103 11.243 1.987 -9.537 1.00 0.14 H new ATOM 0 HB3 ASN A 103 11.141 0.237 -9.556 1.00 0.14 H new ATOM 0 HD21 ASN A 103 14.791 2.065 -8.681 1.00 60.01 H new ATOM 0 HD22 ASN A 103 13.637 2.785 -9.810 1.00 60.01 H new ATOM 1632 N GLU A 104 12.539 -1.156 -12.082 1.00 33.11 N ATOM 1633 CA GLU A 104 13.367 -2.305 -12.402 1.00 43.24 C ATOM 1634 C GLU A 104 13.986 -2.143 -13.793 1.00 2.51 C ATOM 1635 O GLU A 104 14.340 -3.129 -14.438 1.00 22.34 O ATOM 1636 CB GLU A 104 12.564 -3.603 -12.308 1.00 32.13 C ATOM 1637 CG GLU A 104 12.273 -3.963 -10.850 1.00 20.34 C ATOM 1638 CD GLU A 104 11.516 -5.289 -10.752 1.00 3.30 C ATOM 1639 OE1 GLU A 104 10.359 -5.377 -11.190 1.00 3.03 O ATOM 1640 OE2 GLU A 104 12.173 -6.252 -10.199 1.00 64.02 O1- ATOM 0 H GLU A 104 11.543 -1.285 -12.261 1.00 33.11 H new ATOM 0 HA GLU A 104 14.173 -2.361 -11.671 1.00 43.24 H new ATOM 0 HB2 GLU A 104 11.627 -3.495 -12.854 1.00 32.13 H new ATOM 0 HB3 GLU A 104 13.118 -4.413 -12.783 1.00 32.13 H new ATOM 0 HG2 GLU A 104 13.209 -4.033 -10.295 1.00 20.34 H new ATOM 0 HG3 GLU A 104 11.686 -3.170 -10.386 1.00 20.34 H new