USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 864 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 500 HECFE :(H bumps) USER MOD NoAdj-H: A 500 HEC HAC : A 500 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 500 HEC HAB : A 500 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 500 HEC H2D : A 500 HEC O2D : A 500 HEC CGD :(short bond) USER MOD Set 1.1: A 67 TYR OH : rot 152:sc= -0.977 USER MOD Set 1.2: A 80 MET CE :methyl -172:sc= -2.83 (180deg=-2.72) USER MOD Set 2.1: A 46 TYR OH : rot 180:sc= 0.186 USER MOD Set 2.2: A 79 LYS NZ :NH3+ 156:sc= 0.109 (180deg=-0.866) USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= -1.08 USER MOD Set 3.2: A 31 ASN : amide:sc= -2.37 K(o=-3.4,f=-6.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -164:sc= -0.0865 (180deg=-0.543) USER MOD Single : A 7 LYS NZ :NH3+ -166:sc= -1.9 (180deg=-2.91!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -135:sc= -1.93! (180deg=-6.49!) USER MOD Single : A 15 SER OG : rot -83:sc= 0.739 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.18) 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= -0.98 X(o=-0.98,f=-0.72) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc=-0.00503 (180deg=-0.208) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.023 USER MOD Single : A 33 HIS : no HD1:sc= -0.0627 X(o=-0.063,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -100:sc= 0.75 USER MOD Single : A 42 GLN : amide:sc= 1.15 K(o=1.2,f=-0.013) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -5.31! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 52 ASN : amide:sc= -0.997 K(o=-1,f=-4.6!) USER MOD Single : A 53 LYS NZ :NH3+ 130:sc= -0.173 (180deg=-0.837) USER MOD Single : A 54 ASN : amide:sc= -0.0969 K(o=-0.097,f=1.1) USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 1.26 (180deg=1.16) USER MOD Single : A 63 THR OG1 : rot 110:sc= 0.519 USER MOD Single : A 65 MET CE :methyl 159:sc= -5.76! (180deg=-6.04!) USER MOD Single : A 70 ASN : amide:sc= -2.7 K(o=-2.7,f=-3.3!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -113:sc= -0.741 (180deg=-2.82!) USER MOD Single : A 74 TYR OH : rot 165:sc= -0.0565 USER MOD Single : A 78 THR OG1 : rot -172:sc= -1.17! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc=-0.00553 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.00734) USER MOD Single : A 102 THR OG1 : rot -101:sc= 1.04 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 500 HEC O2A : rot -130:sc= -0.307 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.325 0.000 0.000 1.00 24.45 N ATOM 2 CA GLY A 1 2.073 0.000 -1.246 1.00 4.32 C ATOM 3 C GLY A 1 1.828 -1.289 -2.033 1.00 34.12 C ATOM 4 O GLY A 1 2.150 -2.379 -1.563 1.00 52.20 O ATOM 0 H1 GLY A 1 1.508 0.885 0.515 1.00 24.45 H new ATOM 0 H2 GLY A 1 0.308 -0.077 -0.205 1.00 24.45 H new ATOM 0 H3 GLY A 1 1.622 -0.808 0.583 1.00 24.45 H new ATOM 0 HA2 GLY A 1 1.781 0.860 -1.849 1.00 4.32 H new ATOM 0 HA3 GLY A 1 3.137 0.105 -1.035 1.00 4.32 H new ATOM 8 N ASP A 2 1.259 -1.121 -3.218 1.00 42.55 N ATOM 9 CA ASP A 2 0.966 -2.257 -4.075 1.00 3.31 C ATOM 10 C ASP A 2 2.272 -2.970 -4.434 1.00 4.41 C ATOM 11 O ASP A 2 3.217 -2.339 -4.904 1.00 51.34 O ATOM 12 CB ASP A 2 0.299 -1.808 -5.376 1.00 52.41 C ATOM 13 CG ASP A 2 -0.677 -2.818 -5.985 1.00 63.04 C ATOM 14 OD1 ASP A 2 -1.483 -2.477 -6.863 1.00 4.01 O ATOM 15 OD2 ASP A 2 -0.585 -4.016 -5.515 1.00 63.42 O1- ATOM 0 H ASP A 2 0.993 -0.215 -3.605 1.00 42.55 H new ATOM 0 HA ASP A 2 0.292 -2.922 -3.535 1.00 3.31 H new ATOM 0 HB2 ASP A 2 -0.235 -0.876 -5.190 1.00 52.41 H new ATOM 0 HB3 ASP A 2 1.076 -1.589 -6.108 1.00 52.41 H new ATOM 21 N VAL A 3 2.281 -4.273 -4.198 1.00 75.13 N ATOM 22 CA VAL A 3 3.455 -5.078 -4.491 1.00 75.34 C ATOM 23 C VAL A 3 3.516 -5.356 -5.994 1.00 13.43 C ATOM 24 O VAL A 3 4.597 -5.401 -6.578 1.00 74.44 O ATOM 25 CB VAL A 3 3.439 -6.354 -3.647 1.00 52.14 C ATOM 26 CG1 VAL A 3 2.831 -6.091 -2.268 1.00 34.45 C ATOM 27 CG2 VAL A 3 2.696 -7.480 -4.369 1.00 44.44 C ATOM 0 H VAL A 3 1.494 -4.792 -3.807 1.00 75.13 H new ATOM 0 HA VAL A 3 4.364 -4.539 -4.223 1.00 75.34 H new ATOM 0 HB VAL A 3 4.471 -6.673 -3.503 1.00 52.14 H new ATOM 0 HG11 VAL A 3 2.831 -7.014 -1.688 1.00 34.45 H new ATOM 0 HG12 VAL A 3 3.421 -5.336 -1.748 1.00 34.45 H new ATOM 0 HG13 VAL A 3 1.807 -5.736 -2.384 1.00 34.45 H new ATOM 0 HG21 VAL A 3 2.699 -8.375 -3.747 1.00 44.44 H new ATOM 0 HG22 VAL A 3 1.667 -7.174 -4.559 1.00 44.44 H new ATOM 0 HG23 VAL A 3 3.191 -7.694 -5.316 1.00 44.44 H new ATOM 37 N GLU A 4 2.340 -5.536 -6.578 1.00 51.25 N ATOM 38 CA GLU A 4 2.245 -5.809 -8.002 1.00 54.55 C ATOM 39 C GLU A 4 3.105 -4.819 -8.790 1.00 41.14 C ATOM 40 O GLU A 4 4.008 -5.221 -9.522 1.00 54.03 O ATOM 41 CB GLU A 4 0.790 -5.767 -8.473 1.00 30.12 C ATOM 42 CG GLU A 4 0.034 -7.021 -8.029 1.00 30.34 C ATOM 43 CD GLU A 4 -1.259 -7.193 -8.829 1.00 64.34 C ATOM 44 OE1 GLU A 4 -2.242 -6.480 -8.580 1.00 52.43 O ATOM 45 OE2 GLU A 4 -1.218 -8.106 -9.740 1.00 73.12 O1- ATOM 0 H GLU A 4 1.445 -5.498 -6.091 1.00 51.25 H new ATOM 0 HA GLU A 4 2.622 -6.815 -8.185 1.00 54.55 H new ATOM 0 HB2 GLU A 4 0.299 -4.881 -8.071 1.00 30.12 H new ATOM 0 HB3 GLU A 4 0.758 -5.684 -9.559 1.00 30.12 H new ATOM 0 HG2 GLU A 4 0.667 -7.898 -8.162 1.00 30.34 H new ATOM 0 HG3 GLU A 4 -0.198 -6.953 -6.966 1.00 30.34 H new ATOM 53 N LYS A 5 2.795 -3.543 -8.614 1.00 75.51 N ATOM 54 CA LYS A 5 3.528 -2.493 -9.300 1.00 13.03 C ATOM 55 C LYS A 5 5.029 -2.723 -9.119 1.00 44.51 C ATOM 56 O LYS A 5 5.833 -2.265 -9.929 1.00 62.31 O ATOM 57 CB LYS A 5 3.056 -1.115 -8.830 1.00 32.11 C ATOM 58 CG LYS A 5 1.897 -0.609 -9.691 1.00 40.51 C ATOM 59 CD LYS A 5 2.386 -0.196 -11.081 1.00 51.43 C ATOM 60 CE LYS A 5 1.256 0.440 -11.893 1.00 34.33 C ATOM 61 NZ LYS A 5 -0.048 -0.153 -11.520 1.00 61.11 N1+ ATOM 0 H LYS A 5 2.046 -3.213 -8.006 1.00 75.51 H new ATOM 0 HA LYS A 5 3.327 -2.525 -10.371 1.00 13.03 H new ATOM 0 HB2 LYS A 5 2.742 -1.170 -7.788 1.00 32.11 H new ATOM 0 HB3 LYS A 5 3.884 -0.408 -8.877 1.00 32.11 H new ATOM 0 HG2 LYS A 5 1.141 -1.389 -9.784 1.00 40.51 H new ATOM 0 HG3 LYS A 5 1.420 0.240 -9.202 1.00 40.51 H new ATOM 0 HD2 LYS A 5 3.211 0.509 -10.985 1.00 51.43 H new ATOM 0 HD3 LYS A 5 2.772 -1.068 -11.609 1.00 51.43 H new ATOM 0 HE2 LYS A 5 1.236 1.516 -11.719 1.00 34.33 H new ATOM 0 HE3 LYS A 5 1.438 0.293 -12.958 1.00 34.33 H new ATOM 0 HZ1 LYS A 5 -0.755 0.079 -12.246 1.00 61.11 H new ATOM 0 HZ2 LYS A 5 0.048 -1.186 -11.448 1.00 61.11 H new ATOM 0 HZ3 LYS A 5 -0.355 0.231 -10.603 1.00 61.11 H new ATOM 74 N GLY A 6 5.362 -3.433 -8.051 1.00 33.14 N ATOM 75 CA GLY A 6 6.753 -3.730 -7.753 1.00 41.25 C ATOM 76 C GLY A 6 7.151 -5.101 -8.303 1.00 61.35 C ATOM 77 O GLY A 6 8.326 -5.351 -8.567 1.00 72.04 O ATOM 0 H GLY A 6 4.692 -3.811 -7.381 1.00 33.14 H new ATOM 0 HA2 GLY A 6 7.393 -2.961 -8.185 1.00 41.25 H new ATOM 0 HA3 GLY A 6 6.911 -3.707 -6.675 1.00 41.25 H new ATOM 81 N LYS A 7 6.149 -5.954 -8.459 1.00 54.25 N ATOM 82 CA LYS A 7 6.379 -7.294 -8.972 1.00 13.43 C ATOM 83 C LYS A 7 6.725 -7.213 -10.460 1.00 11.22 C ATOM 84 O LYS A 7 7.812 -7.616 -10.871 1.00 40.24 O ATOM 85 CB LYS A 7 5.183 -8.198 -8.666 1.00 12.01 C ATOM 86 CG LYS A 7 5.606 -9.667 -8.610 1.00 61.14 C ATOM 87 CD LYS A 7 4.732 -10.452 -7.631 1.00 21.42 C ATOM 88 CE LYS A 7 3.421 -10.884 -8.290 1.00 53.44 C ATOM 89 NZ LYS A 7 2.808 -9.750 -9.017 1.00 74.43 N1+ ATOM 0 H LYS A 7 5.176 -5.743 -8.239 1.00 54.25 H new ATOM 0 HA LYS A 7 7.231 -7.753 -8.471 1.00 13.43 H new ATOM 0 HB2 LYS A 7 4.737 -7.908 -7.715 1.00 12.01 H new ATOM 0 HB3 LYS A 7 4.417 -8.065 -9.430 1.00 12.01 H new ATOM 0 HG2 LYS A 7 5.532 -10.109 -9.604 1.00 61.14 H new ATOM 0 HG3 LYS A 7 6.651 -9.737 -8.307 1.00 61.14 H new ATOM 0 HD2 LYS A 7 5.273 -11.331 -7.279 1.00 21.42 H new ATOM 0 HD3 LYS A 7 4.518 -9.838 -6.756 1.00 21.42 H new ATOM 0 HE2 LYS A 7 3.608 -11.707 -8.979 1.00 53.44 H new ATOM 0 HE3 LYS A 7 2.731 -11.254 -7.532 1.00 53.44 H new ATOM 0 HZ1 LYS A 7 1.822 -9.982 -9.254 1.00 74.43 H new ATOM 0 HZ2 LYS A 7 2.829 -8.901 -8.417 1.00 74.43 H new ATOM 0 HZ3 LYS A 7 3.341 -9.569 -9.891 1.00 74.43 H new ATOM 102 N LYS A 8 5.779 -6.689 -11.227 1.00 45.33 N ATOM 103 CA LYS A 8 5.970 -6.550 -12.660 1.00 12.01 C ATOM 104 C LYS A 8 7.276 -5.799 -12.926 1.00 54.24 C ATOM 105 O LYS A 8 8.082 -6.221 -13.754 1.00 40.24 O ATOM 106 CB LYS A 8 4.744 -5.899 -13.303 1.00 14.42 C ATOM 107 CG LYS A 8 3.642 -6.932 -13.552 1.00 34.03 C ATOM 108 CD LYS A 8 4.018 -7.868 -14.702 1.00 33.34 C ATOM 109 CE LYS A 8 2.780 -8.565 -15.269 1.00 60.43 C ATOM 110 NZ LYS A 8 3.157 -9.832 -15.935 1.00 31.43 N1+ ATOM 0 H LYS A 8 4.879 -6.356 -10.882 1.00 45.33 H new ATOM 0 HA LYS A 8 6.065 -7.530 -13.128 1.00 12.01 H new ATOM 0 HB2 LYS A 8 4.366 -5.108 -12.655 1.00 14.42 H new ATOM 0 HB3 LYS A 8 5.028 -5.431 -14.245 1.00 14.42 H new ATOM 0 HG2 LYS A 8 3.472 -7.513 -12.646 1.00 34.03 H new ATOM 0 HG3 LYS A 8 2.707 -6.423 -13.784 1.00 34.03 H new ATOM 0 HD2 LYS A 8 4.513 -7.301 -15.490 1.00 33.34 H new ATOM 0 HD3 LYS A 8 4.731 -8.614 -14.350 1.00 33.34 H new ATOM 0 HE2 LYS A 8 2.070 -8.766 -14.467 1.00 60.43 H new ATOM 0 HE3 LYS A 8 2.280 -7.908 -15.981 1.00 60.43 H new ATOM 0 HZ1 LYS A 8 2.305 -10.292 -16.314 1.00 31.43 H new ATOM 0 HZ2 LYS A 8 3.818 -9.632 -16.713 1.00 31.43 H new ATOM 0 HZ3 LYS A 8 3.614 -10.463 -15.247 1.00 31.43 H new ATOM 123 N ILE A 9 7.445 -4.698 -12.208 1.00 72.22 N ATOM 124 CA ILE A 9 8.639 -3.884 -12.356 1.00 63.35 C ATOM 125 C ILE A 9 9.869 -4.721 -12.000 1.00 74.32 C ATOM 126 O ILE A 9 10.891 -4.649 -12.680 1.00 34.45 O ATOM 127 CB ILE A 9 8.514 -2.596 -11.540 1.00 33.41 C ATOM 128 CG1 ILE A 9 7.658 -1.562 -12.274 1.00 13.20 C ATOM 129 CG2 ILE A 9 9.893 -2.042 -11.174 1.00 10.42 C ATOM 130 CD1 ILE A 9 7.249 -0.424 -11.337 1.00 3.44 C ATOM 0 H ILE A 9 6.775 -4.351 -11.522 1.00 72.22 H new ATOM 0 HA ILE A 9 8.758 -3.567 -13.392 1.00 63.35 H new ATOM 0 HB ILE A 9 8.004 -2.832 -10.606 1.00 33.41 H new ATOM 0 HG12 ILE A 9 8.214 -1.159 -13.120 1.00 13.20 H new ATOM 0 HG13 ILE A 9 6.767 -2.043 -12.678 1.00 13.20 H new ATOM 0 HG21 ILE A 9 9.775 -1.126 -10.594 1.00 10.42 H new ATOM 0 HG22 ILE A 9 10.436 -2.779 -10.582 1.00 10.42 H new ATOM 0 HG23 ILE A 9 10.452 -1.825 -12.085 1.00 10.42 H new ATOM 0 HD11 ILE A 9 6.641 0.297 -11.884 1.00 3.44 H new ATOM 0 HD12 ILE A 9 6.672 -0.827 -10.505 1.00 3.44 H new ATOM 0 HD13 ILE A 9 8.142 0.070 -10.954 1.00 3.44 H new ATOM 142 N PHE A 10 9.730 -5.495 -10.934 1.00 22.51 N ATOM 143 CA PHE A 10 10.817 -6.345 -10.479 1.00 30.30 C ATOM 144 C PHE A 10 11.136 -7.428 -11.512 1.00 54.03 C ATOM 145 O PHE A 10 12.202 -8.040 -11.465 1.00 62.33 O ATOM 146 CB PHE A 10 10.351 -7.013 -9.184 1.00 71.01 C ATOM 147 CG PHE A 10 11.090 -8.311 -8.852 1.00 62.01 C ATOM 148 CD1 PHE A 10 12.311 -8.264 -8.254 1.00 53.24 C ATOM 149 CD2 PHE A 10 10.527 -9.511 -9.156 1.00 65.44 C ATOM 150 CE1 PHE A 10 12.997 -9.468 -7.946 1.00 45.31 C ATOM 151 CE2 PHE A 10 11.214 -10.715 -8.848 1.00 63.41 C ATOM 152 CZ PHE A 10 12.434 -10.669 -8.249 1.00 72.24 C ATOM 0 H PHE A 10 8.881 -5.551 -10.372 1.00 22.51 H new ATOM 0 HA PHE A 10 11.717 -5.749 -10.328 1.00 30.30 H new ATOM 0 HB2 PHE A 10 10.480 -6.312 -8.359 1.00 71.01 H new ATOM 0 HB3 PHE A 10 9.284 -7.223 -9.259 1.00 71.01 H new ATOM 0 HD1 PHE A 10 12.758 -7.311 -8.014 1.00 53.24 H new ATOM 0 HD2 PHE A 10 9.558 -9.548 -9.631 1.00 65.44 H new ATOM 0 HE1 PHE A 10 13.966 -9.431 -7.471 1.00 45.31 H new ATOM 0 HE2 PHE A 10 10.767 -11.668 -9.090 1.00 63.41 H new ATOM 0 HZ PHE A 10 12.956 -11.585 -8.014 1.00 72.24 H new ATOM 162 N ILE A 11 10.193 -7.630 -12.420 1.00 5.51 N ATOM 163 CA ILE A 11 10.360 -8.628 -13.462 1.00 1.20 C ATOM 164 C ILE A 11 11.106 -8.005 -14.644 1.00 50.30 C ATOM 165 O ILE A 11 12.194 -8.453 -15.001 1.00 63.10 O ATOM 166 CB ILE A 11 9.009 -9.239 -13.841 1.00 12.30 C ATOM 167 CG1 ILE A 11 8.391 -9.982 -12.654 1.00 73.50 C ATOM 168 CG2 ILE A 11 9.139 -10.136 -15.073 1.00 74.44 C ATOM 169 CD1 ILE A 11 6.871 -10.077 -12.798 1.00 31.21 C ATOM 0 H ILE A 11 9.311 -7.119 -12.456 1.00 5.51 H new ATOM 0 HA ILE A 11 10.969 -9.457 -13.101 1.00 1.20 H new ATOM 0 HB ILE A 11 8.329 -8.428 -14.103 1.00 12.30 H new ATOM 0 HG12 ILE A 11 8.817 -10.983 -12.585 1.00 73.50 H new ATOM 0 HG13 ILE A 11 8.641 -9.465 -11.727 1.00 73.50 H new ATOM 0 HG21 ILE A 11 8.165 -10.557 -15.321 1.00 74.44 H new ATOM 0 HG22 ILE A 11 9.504 -9.548 -15.915 1.00 74.44 H new ATOM 0 HG23 ILE A 11 9.841 -10.943 -14.863 1.00 74.44 H new ATOM 0 HD11 ILE A 11 6.457 -10.609 -11.942 1.00 31.21 H new ATOM 0 HD12 ILE A 11 6.446 -9.074 -12.842 1.00 31.21 H new ATOM 0 HD13 ILE A 11 6.625 -10.615 -13.713 1.00 31.21 H new ATOM 181 N MET A 12 10.490 -6.982 -15.218 1.00 24.33 N ATOM 182 CA MET A 12 11.082 -6.293 -16.353 1.00 1.20 C ATOM 183 C MET A 12 12.451 -5.715 -15.989 1.00 33.53 C ATOM 184 O MET A 12 13.228 -5.350 -16.870 1.00 42.35 O ATOM 185 CB MET A 12 10.154 -5.164 -16.805 1.00 60.40 C ATOM 186 CG MET A 12 9.049 -5.695 -17.719 1.00 23.04 C ATOM 187 SD MET A 12 7.862 -4.405 -18.056 1.00 15.25 S ATOM 188 CE MET A 12 6.621 -5.345 -18.929 1.00 65.42 C ATOM 0 H MET A 12 9.587 -6.613 -14.919 1.00 24.33 H new ATOM 0 HA MET A 12 11.215 -7.011 -17.162 1.00 1.20 H new ATOM 0 HB2 MET A 12 9.710 -4.683 -15.934 1.00 60.40 H new ATOM 0 HB3 MET A 12 10.731 -4.403 -17.330 1.00 60.40 H new ATOM 0 HG2 MET A 12 9.480 -6.056 -18.653 1.00 23.04 H new ATOM 0 HG3 MET A 12 8.552 -6.543 -17.248 1.00 23.04 H new ATOM 0 HE1 MET A 12 5.801 -4.687 -19.215 1.00 65.42 H new ATOM 0 HE2 MET A 12 7.061 -5.786 -19.823 1.00 65.42 H new ATOM 0 HE3 MET A 12 6.243 -6.137 -18.282 1.00 65.42 H new ATOM 198 N LYS A 13 12.705 -5.651 -14.690 1.00 62.15 N ATOM 199 CA LYS A 13 13.967 -5.123 -14.200 1.00 62.04 C ATOM 200 C LYS A 13 14.803 -6.267 -13.623 1.00 3.45 C ATOM 201 O LYS A 13 16.008 -6.340 -13.859 1.00 2.42 O ATOM 202 CB LYS A 13 13.722 -3.982 -13.211 1.00 42.23 C ATOM 203 CG LYS A 13 13.091 -2.776 -13.911 1.00 64.41 C ATOM 204 CD LYS A 13 13.013 -1.574 -12.967 1.00 24.41 C ATOM 205 CE LYS A 13 11.912 -0.605 -13.403 1.00 3.12 C ATOM 206 NZ LYS A 13 11.437 0.192 -12.251 1.00 43.44 N1+ ATOM 0 H LYS A 13 12.059 -5.956 -13.962 1.00 62.15 H new ATOM 0 HA LYS A 13 14.541 -4.688 -15.018 1.00 62.04 H new ATOM 0 HB2 LYS A 13 13.068 -4.325 -12.409 1.00 42.23 H new ATOM 0 HB3 LYS A 13 14.664 -3.687 -12.750 1.00 42.23 H new ATOM 0 HG2 LYS A 13 13.677 -2.514 -14.792 1.00 64.41 H new ATOM 0 HG3 LYS A 13 12.091 -3.035 -14.259 1.00 64.41 H new ATOM 0 HD2 LYS A 13 12.819 -1.917 -11.951 1.00 24.41 H new ATOM 0 HD3 LYS A 13 13.972 -1.057 -12.951 1.00 24.41 H new ATOM 0 HE2 LYS A 13 12.290 0.059 -14.180 1.00 3.12 H new ATOM 0 HE3 LYS A 13 11.080 -1.161 -13.836 1.00 3.12 H new ATOM 0 HZ1 LYS A 13 10.398 0.225 -12.257 1.00 43.44 H new ATOM 0 HZ2 LYS A 13 11.764 -0.247 -11.367 1.00 43.44 H new ATOM 0 HZ3 LYS A 13 11.815 1.159 -12.318 1.00 43.44 H new ATOM 219 N CYS A 14 14.130 -7.132 -12.878 1.00 12.24 N ATOM 220 CA CYS A 14 14.797 -8.270 -12.266 1.00 32.54 C ATOM 221 C CYS A 14 14.083 -9.545 -12.719 1.00 32.32 C ATOM 222 O CYS A 14 13.309 -10.129 -11.962 1.00 22.25 O ATOM 223 CB CYS A 14 14.837 -8.148 -10.742 1.00 14.53 C ATOM 224 SG CYS A 14 14.801 -6.432 -10.107 1.00 23.33 S ATOM 0 H CYS A 14 13.131 -7.068 -12.684 1.00 12.24 H new ATOM 0 HA CYS A 14 15.837 -8.304 -12.589 1.00 32.54 H new ATOM 0 HB2 CYS A 14 13.989 -8.692 -10.326 1.00 14.53 H new ATOM 0 HB3 CYS A 14 15.740 -8.637 -10.376 1.00 14.53 H new ATOM 229 N SER A 15 14.368 -9.939 -13.951 1.00 63.31 N ATOM 230 CA SER A 15 13.763 -11.135 -14.513 1.00 52.21 C ATOM 231 C SER A 15 14.813 -12.240 -14.646 1.00 14.32 C ATOM 232 O SER A 15 15.901 -12.007 -15.169 1.00 24.42 O ATOM 233 CB SER A 15 13.125 -10.842 -15.873 1.00 24.11 C ATOM 234 OG SER A 15 13.828 -9.827 -16.585 1.00 62.04 O ATOM 0 H SER A 15 15.010 -9.452 -14.576 1.00 63.31 H new ATOM 0 HA SER A 15 12.976 -11.470 -13.837 1.00 52.21 H new ATOM 0 HB2 SER A 15 13.105 -11.755 -16.468 1.00 24.11 H new ATOM 0 HB3 SER A 15 12.090 -10.533 -15.729 1.00 24.11 H new ATOM 0 HG SER A 15 13.525 -8.946 -16.282 1.00 62.04 H new ATOM 240 N GLN A 16 14.449 -13.419 -14.164 1.00 3.25 N ATOM 241 CA GLN A 16 15.346 -14.560 -14.222 1.00 0.11 C ATOM 242 C GLN A 16 16.784 -14.121 -13.939 1.00 64.21 C ATOM 243 O GLN A 16 17.705 -14.495 -14.663 1.00 52.24 O ATOM 244 CB GLN A 16 15.245 -15.268 -15.575 1.00 55.01 C ATOM 245 CG GLN A 16 13.793 -15.337 -16.051 1.00 51.45 C ATOM 246 CD GLN A 16 13.672 -16.181 -17.322 1.00 65.25 C ATOM 247 OE1 GLN A 16 14.196 -17.278 -17.421 1.00 12.42 O ATOM 248 NE2 GLN A 16 12.953 -15.610 -18.284 1.00 43.12 N ATOM 0 H GLN A 16 13.545 -13.609 -13.731 1.00 3.25 H new ATOM 0 HA GLN A 16 15.047 -15.272 -13.453 1.00 0.11 H new ATOM 0 HB2 GLN A 16 15.848 -14.738 -16.312 1.00 55.01 H new ATOM 0 HB3 GLN A 16 15.653 -16.275 -15.494 1.00 55.01 H new ATOM 0 HG2 GLN A 16 13.169 -15.764 -15.266 1.00 51.45 H new ATOM 0 HG3 GLN A 16 13.421 -14.330 -16.242 1.00 51.45 H new ATOM 0 HE21 GLN A 16 12.542 -14.689 -18.135 1.00 43.12 H new ATOM 0 HE22 GLN A 16 12.813 -16.094 -19.171 1.00 43.12 H new ATOM 257 N CYS A 17 16.931 -13.333 -12.884 1.00 41.41 N ATOM 258 CA CYS A 17 18.241 -12.838 -12.497 1.00 75.41 C ATOM 259 C CYS A 17 18.359 -12.932 -10.974 1.00 51.53 C ATOM 260 O CYS A 17 19.338 -13.466 -10.455 1.00 52.44 O ATOM 261 CB CYS A 17 18.480 -11.414 -13.001 1.00 31.53 C ATOM 262 SG CYS A 17 20.141 -11.119 -13.709 1.00 22.31 S ATOM 0 H CYS A 17 16.165 -13.025 -12.285 1.00 41.41 H new ATOM 0 HA CYS A 17 19.015 -13.451 -12.959 1.00 75.41 H new ATOM 0 HB2 CYS A 17 17.731 -11.181 -13.758 1.00 31.53 H new ATOM 0 HB3 CYS A 17 18.324 -10.720 -12.175 1.00 31.53 H new ATOM 267 N HIS A 18 17.346 -12.405 -10.301 1.00 64.33 N ATOM 268 CA HIS A 18 17.324 -12.423 -8.848 1.00 50.04 C ATOM 269 C HIS A 18 16.358 -13.506 -8.363 1.00 45.23 C ATOM 270 O HIS A 18 15.815 -14.264 -9.165 1.00 13.43 O ATOM 271 CB HIS A 18 16.988 -11.037 -8.293 1.00 30.21 C ATOM 272 CG HIS A 18 18.199 -10.215 -7.922 1.00 12.01 C ATOM 273 ND1 HIS A 18 19.027 -10.535 -6.860 1.00 53.33 N ATOM 274 CD2 HIS A 18 18.714 -9.083 -8.484 1.00 63.45 C ATOM 275 CE1 HIS A 18 19.992 -9.629 -6.794 1.00 1.34 C ATOM 276 NE2 HIS A 18 19.796 -8.730 -7.801 1.00 4.41 N ATOM 0 H HIS A 18 16.535 -11.963 -10.735 1.00 64.33 H new ATOM 0 HA HIS A 18 18.315 -12.672 -8.468 1.00 50.04 H new ATOM 0 HB2 HIS A 18 16.404 -10.491 -9.035 1.00 30.21 H new ATOM 0 HB3 HIS A 18 16.356 -11.153 -7.412 1.00 30.21 H new ATOM 0 HD1 HIS A 18 18.914 -11.333 -6.234 1.00 53.33 H new ATOM 0 HD2 HIS A 18 18.310 -8.563 -9.340 1.00 63.45 H new ATOM 0 HE1 HIS A 18 20.793 -9.606 -6.070 1.00 1.34 H new ATOM 284 N THR A 19 16.173 -13.544 -7.051 1.00 3.13 N ATOM 285 CA THR A 19 15.282 -14.521 -6.449 1.00 10.30 C ATOM 286 C THR A 19 14.781 -14.022 -5.093 1.00 53.54 C ATOM 287 O THR A 19 15.432 -13.199 -4.451 1.00 63.55 O ATOM 288 CB THR A 19 16.028 -15.854 -6.369 1.00 22.40 C ATOM 289 OG1 THR A 19 17.324 -15.499 -5.897 1.00 12.31 O ATOM 290 CG2 THR A 19 16.287 -16.465 -7.748 1.00 53.02 C ATOM 0 H THR A 19 16.625 -12.914 -6.389 1.00 3.13 H new ATOM 0 HA THR A 19 14.388 -14.668 -7.055 1.00 10.30 H new ATOM 0 HB THR A 19 15.453 -16.555 -5.764 1.00 22.40 H new ATOM 0 HG1 THR A 19 17.874 -16.306 -5.814 1.00 12.31 H new ATOM 0 HG21 THR A 19 16.819 -17.409 -7.633 1.00 53.02 H new ATOM 0 HG22 THR A 19 15.337 -16.643 -8.252 1.00 53.02 H new ATOM 0 HG23 THR A 19 16.890 -15.779 -8.343 1.00 53.02 H new ATOM 298 N VAL A 20 13.628 -14.540 -4.696 1.00 23.12 N ATOM 299 CA VAL A 20 13.032 -14.157 -3.427 1.00 24.13 C ATOM 300 C VAL A 20 12.508 -15.407 -2.717 1.00 41.42 C ATOM 301 O VAL A 20 12.763 -15.603 -1.530 1.00 25.44 O ATOM 302 CB VAL A 20 11.949 -13.101 -3.655 1.00 32.22 C ATOM 303 CG1 VAL A 20 12.504 -11.905 -4.432 1.00 62.12 C ATOM 304 CG2 VAL A 20 10.737 -13.703 -4.369 1.00 12.44 C ATOM 0 H VAL A 20 13.090 -15.222 -5.231 1.00 23.12 H new ATOM 0 HA VAL A 20 13.779 -13.702 -2.776 1.00 24.13 H new ATOM 0 HB VAL A 20 11.620 -12.744 -2.679 1.00 32.22 H new ATOM 0 HG11 VAL A 20 11.714 -11.169 -4.581 1.00 62.12 H new ATOM 0 HG12 VAL A 20 13.320 -11.452 -3.869 1.00 62.12 H new ATOM 0 HG13 VAL A 20 12.874 -12.241 -5.401 1.00 62.12 H new ATOM 0 HG21 VAL A 20 9.982 -12.931 -4.519 1.00 12.44 H new ATOM 0 HG22 VAL A 20 11.045 -14.101 -5.336 1.00 12.44 H new ATOM 0 HG23 VAL A 20 10.319 -14.506 -3.762 1.00 12.44 H new ATOM 314 N GLU A 21 11.785 -16.219 -3.474 1.00 11.10 N ATOM 315 CA GLU A 21 11.223 -17.445 -2.932 1.00 25.04 C ATOM 316 C GLU A 21 12.337 -18.445 -2.616 1.00 12.30 C ATOM 317 O GLU A 21 13.386 -18.435 -3.259 1.00 52.20 O ATOM 318 CB GLU A 21 10.199 -18.050 -3.893 1.00 44.12 C ATOM 319 CG GLU A 21 10.742 -18.086 -5.323 1.00 55.24 C ATOM 320 CD GLU A 21 10.144 -19.255 -6.108 1.00 31.53 C ATOM 321 OE1 GLU A 21 9.718 -19.076 -7.259 1.00 42.20 O ATOM 322 OE2 GLU A 21 10.133 -20.383 -5.482 1.00 50.23 O1- ATOM 0 H GLU A 21 11.575 -16.052 -4.458 1.00 11.10 H new ATOM 0 HA GLU A 21 10.704 -17.205 -2.004 1.00 25.04 H new ATOM 0 HB2 GLU A 21 9.946 -19.060 -3.571 1.00 44.12 H new ATOM 0 HB3 GLU A 21 9.279 -17.466 -3.864 1.00 44.12 H new ATOM 0 HG2 GLU A 21 10.510 -17.148 -5.828 1.00 55.24 H new ATOM 0 HG3 GLU A 21 11.828 -18.176 -5.301 1.00 55.24 H new ATOM 330 N LYS A 22 12.071 -19.286 -1.627 1.00 73.14 N ATOM 331 CA LYS A 22 13.037 -20.291 -1.218 1.00 13.40 C ATOM 332 C LYS A 22 13.439 -21.129 -2.433 1.00 71.42 C ATOM 333 O LYS A 22 14.605 -21.491 -2.584 1.00 40.23 O ATOM 334 CB LYS A 22 12.490 -21.118 -0.053 1.00 60.13 C ATOM 335 CG LYS A 22 13.624 -21.621 0.842 1.00 54.23 C ATOM 336 CD LYS A 22 13.145 -21.802 2.284 1.00 32.02 C ATOM 337 CE LYS A 22 14.296 -21.610 3.273 1.00 72.12 C ATOM 338 NZ LYS A 22 15.138 -22.826 3.332 1.00 5.33 N1+ ATOM 0 H LYS A 22 11.200 -19.292 -1.097 1.00 73.14 H new ATOM 0 HA LYS A 22 13.944 -19.817 -0.843 1.00 13.40 H new ATOM 0 HB2 LYS A 22 11.799 -20.513 0.534 1.00 60.13 H new ATOM 0 HB3 LYS A 22 11.923 -21.965 -0.438 1.00 60.13 H new ATOM 0 HG2 LYS A 22 14.001 -22.569 0.459 1.00 54.23 H new ATOM 0 HG3 LYS A 22 14.453 -20.914 0.816 1.00 54.23 H new ATOM 0 HD2 LYS A 22 12.352 -21.086 2.500 1.00 32.02 H new ATOM 0 HD3 LYS A 22 12.718 -22.797 2.407 1.00 32.02 H new ATOM 0 HE2 LYS A 22 14.902 -20.755 2.973 1.00 72.12 H new ATOM 0 HE3 LYS A 22 13.899 -21.387 4.263 1.00 72.12 H new ATOM 0 HZ1 LYS A 22 15.914 -22.678 4.008 1.00 5.33 H new ATOM 0 HZ2 LYS A 22 14.560 -23.634 3.640 1.00 5.33 H new ATOM 0 HZ3 LYS A 22 15.532 -23.021 2.390 1.00 5.33 H new ATOM 351 N GLY A 23 12.451 -21.414 -3.269 1.00 32.25 N ATOM 352 CA GLY A 23 12.687 -22.203 -4.465 1.00 1.23 C ATOM 353 C GLY A 23 13.634 -21.477 -5.423 1.00 60.40 C ATOM 354 O GLY A 23 14.321 -22.112 -6.222 1.00 40.12 O ATOM 0 H GLY A 23 11.485 -21.112 -3.141 1.00 32.25 H new ATOM 0 HA2 GLY A 23 13.112 -23.168 -4.190 1.00 1.23 H new ATOM 0 HA3 GLY A 23 11.740 -22.403 -4.966 1.00 1.23 H new ATOM 358 N GLY A 24 13.638 -20.157 -5.312 1.00 42.54 N ATOM 359 CA GLY A 24 14.489 -19.338 -6.159 1.00 13.42 C ATOM 360 C GLY A 24 15.953 -19.437 -5.724 1.00 24.43 C ATOM 361 O GLY A 24 16.418 -18.637 -4.913 1.00 31.23 O ATOM 0 H GLY A 24 13.066 -19.634 -4.649 1.00 42.54 H new ATOM 0 HA2 GLY A 24 14.392 -19.658 -7.196 1.00 13.42 H new ATOM 0 HA3 GLY A 24 14.162 -18.299 -6.114 1.00 13.42 H new ATOM 365 N LYS A 25 16.638 -20.424 -6.283 1.00 43.10 N ATOM 366 CA LYS A 25 18.039 -20.637 -5.963 1.00 25.50 C ATOM 367 C LYS A 25 18.876 -19.518 -6.586 1.00 31.53 C ATOM 368 O LYS A 25 18.399 -18.793 -7.458 1.00 63.34 O ATOM 369 CB LYS A 25 18.477 -22.041 -6.385 1.00 45.42 C ATOM 370 CG LYS A 25 18.936 -22.056 -7.844 1.00 33.12 C ATOM 371 CD LYS A 25 19.270 -23.478 -8.299 1.00 51.15 C ATOM 372 CE LYS A 25 18.094 -24.425 -8.047 1.00 20.45 C ATOM 373 NZ LYS A 25 18.188 -25.613 -8.925 1.00 61.34 N1+ ATOM 0 H LYS A 25 16.249 -21.085 -6.955 1.00 43.10 H new ATOM 0 HA LYS A 25 18.195 -20.590 -4.885 1.00 25.50 H new ATOM 0 HB2 LYS A 25 19.288 -22.382 -5.741 1.00 45.42 H new ATOM 0 HB3 LYS A 25 17.650 -22.739 -6.253 1.00 45.42 H new ATOM 0 HG2 LYS A 25 18.153 -21.641 -8.479 1.00 33.12 H new ATOM 0 HG3 LYS A 25 19.812 -21.418 -7.960 1.00 33.12 H new ATOM 0 HD2 LYS A 25 19.518 -23.475 -9.360 1.00 51.15 H new ATOM 0 HD3 LYS A 25 20.151 -23.837 -7.767 1.00 51.15 H new ATOM 0 HE2 LYS A 25 18.088 -24.737 -7.003 1.00 20.45 H new ATOM 0 HE3 LYS A 25 17.154 -23.904 -8.230 1.00 20.45 H new ATOM 0 HZ1 LYS A 25 17.383 -26.245 -8.741 1.00 61.34 H new ATOM 0 HZ2 LYS A 25 18.171 -25.311 -9.920 1.00 61.34 H new ATOM 0 HZ3 LYS A 25 19.076 -26.118 -8.731 1.00 61.34 H new ATOM 386 N HIS A 26 20.110 -19.412 -6.114 1.00 35.31 N ATOM 387 CA HIS A 26 21.017 -18.394 -6.614 1.00 31.21 C ATOM 388 C HIS A 26 21.383 -18.701 -8.068 1.00 31.35 C ATOM 389 O HIS A 26 21.845 -19.798 -8.377 1.00 63.11 O ATOM 390 CB HIS A 26 22.244 -18.268 -5.708 1.00 60.42 C ATOM 391 CG HIS A 26 21.925 -18.309 -4.233 1.00 74.52 C ATOM 392 ND1 HIS A 26 21.939 -17.180 -3.432 1.00 53.11 N ATOM 393 CD2 HIS A 26 21.584 -19.352 -3.423 1.00 43.12 C ATOM 394 CE1 HIS A 26 21.619 -17.540 -2.197 1.00 4.22 C ATOM 395 NE2 HIS A 26 21.400 -18.886 -2.194 1.00 45.54 N ATOM 0 H HIS A 26 20.502 -20.015 -5.391 1.00 35.31 H new ATOM 0 HA HIS A 26 20.523 -17.422 -6.598 1.00 31.21 H new ATOM 0 HB2 HIS A 26 22.940 -19.074 -5.941 1.00 60.42 H new ATOM 0 HB3 HIS A 26 22.754 -17.332 -5.933 1.00 60.42 H new ATOM 0 HD2 HIS A 26 21.481 -20.382 -3.730 1.00 43.12 H new ATOM 0 HE1 HIS A 26 21.545 -16.883 -1.343 1.00 4.22 H new ATOM 0 HE2 HIS A 26 21.138 -19.443 -1.381 1.00 45.54 H new ATOM 403 N LYS A 27 21.161 -17.712 -8.921 1.00 43.43 N ATOM 404 CA LYS A 27 21.461 -17.862 -10.335 1.00 42.03 C ATOM 405 C LYS A 27 22.426 -16.756 -10.768 1.00 2.45 C ATOM 406 O LYS A 27 23.620 -16.821 -10.479 1.00 22.32 O ATOM 407 CB LYS A 27 20.170 -17.907 -11.155 1.00 4.12 C ATOM 408 CG LYS A 27 19.617 -19.332 -11.228 1.00 44.14 C ATOM 409 CD LYS A 27 18.722 -19.510 -12.457 1.00 74.23 C ATOM 410 CE LYS A 27 17.508 -18.582 -12.390 1.00 2.05 C ATOM 411 NZ LYS A 27 16.624 -18.966 -11.267 1.00 22.44 N1+ ATOM 0 H LYS A 27 20.777 -16.804 -8.660 1.00 43.43 H new ATOM 0 HA LYS A 27 21.962 -18.813 -10.519 1.00 42.03 H new ATOM 0 HB2 LYS A 27 19.427 -17.247 -10.707 1.00 4.12 H new ATOM 0 HB3 LYS A 27 20.361 -17.535 -12.162 1.00 4.12 H new ATOM 0 HG2 LYS A 27 20.441 -20.044 -11.267 1.00 44.14 H new ATOM 0 HG3 LYS A 27 19.048 -19.552 -10.324 1.00 44.14 H new ATOM 0 HD2 LYS A 27 19.294 -19.302 -13.361 1.00 74.23 H new ATOM 0 HD3 LYS A 27 18.389 -20.546 -12.522 1.00 74.23 H new ATOM 0 HE2 LYS A 27 17.838 -17.551 -12.265 1.00 2.05 H new ATOM 0 HE3 LYS A 27 16.955 -18.628 -13.328 1.00 2.05 H new ATOM 0 HZ1 LYS A 27 15.703 -18.494 -11.373 1.00 22.44 H new ATOM 0 HZ2 LYS A 27 16.487 -19.997 -11.270 1.00 22.44 H new ATOM 0 HZ3 LYS A 27 17.060 -18.678 -10.368 1.00 22.44 H new ATOM 424 N THR A 28 21.872 -15.767 -11.453 1.00 45.00 N ATOM 425 CA THR A 28 22.668 -14.648 -11.928 1.00 61.12 C ATOM 426 C THR A 28 23.120 -13.778 -10.754 1.00 45.43 C ATOM 427 O THR A 28 24.254 -13.303 -10.729 1.00 2.21 O ATOM 428 CB THR A 28 21.842 -13.887 -12.966 1.00 35.30 C ATOM 429 OG1 THR A 28 21.189 -14.912 -13.710 1.00 61.25 O ATOM 430 CG2 THR A 28 22.715 -13.174 -14.001 1.00 51.31 C ATOM 0 H THR A 28 20.881 -15.717 -11.691 1.00 45.00 H new ATOM 0 HA THR A 28 23.584 -14.991 -12.409 1.00 61.12 H new ATOM 0 HB THR A 28 21.208 -13.158 -12.461 1.00 35.30 H new ATOM 0 HG1 THR A 28 20.630 -14.506 -14.405 1.00 61.25 H new ATOM 0 HG21 THR A 28 22.079 -12.649 -14.714 1.00 51.31 H new ATOM 0 HG22 THR A 28 23.364 -12.457 -13.498 1.00 51.31 H new ATOM 0 HG23 THR A 28 23.325 -13.907 -14.529 1.00 51.31 H new ATOM 438 N GLY A 29 22.209 -13.596 -9.809 1.00 10.45 N ATOM 439 CA GLY A 29 22.499 -12.791 -8.635 1.00 52.43 C ATOM 440 C GLY A 29 22.106 -13.529 -7.354 1.00 73.33 C ATOM 441 O GLY A 29 21.548 -14.624 -7.410 1.00 12.41 O ATOM 0 H GLY A 29 21.269 -13.992 -9.833 1.00 10.45 H new ATOM 0 HA2 GLY A 29 23.562 -12.550 -8.609 1.00 52.43 H new ATOM 0 HA3 GLY A 29 21.959 -11.846 -8.695 1.00 52.43 H new ATOM 445 N PRO A 30 22.421 -12.883 -6.199 1.00 64.11 N ATOM 446 CA PRO A 30 22.106 -13.466 -4.906 1.00 53.23 C ATOM 447 C PRO A 30 20.611 -13.353 -4.602 1.00 41.02 C ATOM 448 O PRO A 30 19.947 -12.428 -5.067 1.00 1.24 O ATOM 449 CB PRO A 30 22.973 -12.710 -3.912 1.00 21.01 C ATOM 450 CG PRO A 30 23.391 -11.428 -4.614 1.00 61.15 C ATOM 451 CD PRO A 30 23.081 -11.585 -6.094 1.00 30.43 C ATOM 0 HA PRO A 30 22.315 -14.535 -4.865 1.00 53.23 H new ATOM 0 HB2 PRO A 30 22.420 -12.492 -2.998 1.00 21.01 H new ATOM 0 HB3 PRO A 30 23.844 -13.300 -3.625 1.00 21.01 H new ATOM 0 HG2 PRO A 30 22.855 -10.574 -4.200 1.00 61.15 H new ATOM 0 HG3 PRO A 30 24.454 -11.240 -4.464 1.00 61.15 H new ATOM 0 HD2 PRO A 30 22.435 -10.782 -6.451 1.00 30.43 H new ATOM 0 HD3 PRO A 30 23.990 -11.553 -6.695 1.00 30.43 H new ATOM 459 N ASN A 31 20.124 -14.308 -3.824 1.00 42.21 N ATOM 460 CA ASN A 31 18.719 -14.327 -3.452 1.00 54.23 C ATOM 461 C ASN A 31 18.464 -13.262 -2.384 1.00 24.12 C ATOM 462 O ASN A 31 19.390 -12.827 -1.702 1.00 22.02 O ATOM 463 CB ASN A 31 18.322 -15.685 -2.870 1.00 1.42 C ATOM 464 CG ASN A 31 16.942 -15.618 -2.213 1.00 33.11 C ATOM 465 OD1 ASN A 31 16.770 -15.100 -1.122 1.00 34.33 O ATOM 466 ND2 ASN A 31 15.971 -16.168 -2.937 1.00 24.23 N ATOM 0 H ASN A 31 20.677 -15.075 -3.441 1.00 42.21 H new ATOM 0 HA ASN A 31 18.130 -14.133 -4.348 1.00 54.23 H new ATOM 0 HB2 ASN A 31 18.316 -16.436 -3.660 1.00 1.42 H new ATOM 0 HB3 ASN A 31 19.063 -16.001 -2.136 1.00 1.42 H new ATOM 0 HD21 ASN A 31 15.013 -16.173 -2.586 1.00 24.23 H new ATOM 0 HD22 ASN A 31 16.184 -16.585 -3.843 1.00 24.23 H new ATOM 473 N LEU A 32 17.202 -12.872 -2.272 1.00 74.54 N ATOM 474 CA LEU A 32 16.813 -11.866 -1.299 1.00 5.51 C ATOM 475 C LEU A 32 15.639 -12.392 -0.470 1.00 71.53 C ATOM 476 O LEU A 32 14.492 -12.337 -0.909 1.00 22.25 O ATOM 477 CB LEU A 32 16.529 -10.532 -1.992 1.00 14.14 C ATOM 478 CG LEU A 32 17.490 -10.142 -3.116 1.00 30.32 C ATOM 479 CD1 LEU A 32 16.943 -8.960 -3.920 1.00 72.11 C ATOM 480 CD2 LEU A 32 18.891 -9.863 -2.568 1.00 23.23 C ATOM 0 H LEU A 32 16.436 -13.235 -2.839 1.00 74.54 H new ATOM 0 HA LEU A 32 17.631 -11.670 -0.605 1.00 5.51 H new ATOM 0 HB2 LEU A 32 15.519 -10.565 -2.400 1.00 14.14 H new ATOM 0 HB3 LEU A 32 16.543 -9.744 -1.239 1.00 14.14 H new ATOM 0 HG LEU A 32 17.574 -10.986 -3.801 1.00 30.32 H new ATOM 0 HD11 LEU A 32 17.646 -8.703 -4.713 1.00 72.11 H new ATOM 0 HD12 LEU A 32 15.983 -9.232 -4.360 1.00 72.11 H new ATOM 0 HD13 LEU A 32 16.810 -8.102 -3.261 1.00 72.11 H new ATOM 0 HD21 LEU A 32 19.554 -9.588 -3.388 1.00 23.23 H new ATOM 0 HD22 LEU A 32 18.844 -9.045 -1.849 1.00 23.23 H new ATOM 0 HD23 LEU A 32 19.274 -10.757 -2.076 1.00 23.23 H new ATOM 492 N HIS A 33 15.968 -12.889 0.713 1.00 14.50 N ATOM 493 CA HIS A 33 14.955 -13.424 1.607 1.00 13.44 C ATOM 494 C HIS A 33 14.938 -12.615 2.906 1.00 62.54 C ATOM 495 O HIS A 33 13.881 -12.170 3.351 1.00 23.12 O ATOM 496 CB HIS A 33 15.173 -14.919 1.843 1.00 5.43 C ATOM 497 CG HIS A 33 14.161 -15.550 2.769 1.00 22.13 C ATOM 498 ND1 HIS A 33 12.894 -15.922 2.354 1.00 13.25 N ATOM 499 CD2 HIS A 33 14.241 -15.869 4.093 1.00 23.11 C ATOM 500 CE1 HIS A 33 12.250 -16.441 3.389 1.00 64.43 C ATOM 501 NE2 HIS A 33 13.086 -16.407 4.466 1.00 50.42 N ATOM 0 H HIS A 33 16.921 -12.933 1.073 1.00 14.50 H new ATOM 0 HA HIS A 33 13.972 -13.328 1.147 1.00 13.44 H new ATOM 0 HB2 HIS A 33 15.144 -15.436 0.884 1.00 5.43 H new ATOM 0 HB3 HIS A 33 16.171 -15.069 2.256 1.00 5.43 H new ATOM 0 HD2 HIS A 33 15.099 -15.711 4.730 1.00 23.11 H new ATOM 0 HE1 HIS A 33 11.240 -16.824 3.381 1.00 64.43 H new ATOM 0 HE2 HIS A 33 12.861 -16.740 5.403 1.00 50.42 H new ATOM 509 N GLY A 34 16.122 -12.450 3.478 1.00 75.21 N ATOM 510 CA GLY A 34 16.256 -11.703 4.717 1.00 51.24 C ATOM 511 C GLY A 34 16.775 -10.288 4.450 1.00 41.32 C ATOM 512 O GLY A 34 17.426 -9.690 5.306 1.00 23.54 O ATOM 0 H GLY A 34 16.997 -12.821 3.106 1.00 75.21 H new ATOM 0 HA2 GLY A 34 15.291 -11.651 5.221 1.00 51.24 H new ATOM 0 HA3 GLY A 34 16.939 -12.224 5.388 1.00 51.24 H new ATOM 516 N LEU A 35 16.467 -9.794 3.260 1.00 32.14 N ATOM 517 CA LEU A 35 16.894 -8.461 2.870 1.00 14.33 C ATOM 518 C LEU A 35 16.714 -7.506 4.052 1.00 14.32 C ATOM 519 O LEU A 35 17.689 -7.108 4.687 1.00 23.33 O ATOM 520 CB LEU A 35 16.163 -8.014 1.602 1.00 1.34 C ATOM 521 CG LEU A 35 16.368 -6.555 1.189 1.00 70.13 C ATOM 522 CD1 LEU A 35 17.604 -6.405 0.300 1.00 23.22 C ATOM 523 CD2 LEU A 35 15.111 -5.992 0.523 1.00 20.03 C ATOM 0 H LEU A 35 15.927 -10.293 2.553 1.00 32.14 H new ATOM 0 HA LEU A 35 17.954 -8.460 2.617 1.00 14.33 H new ATOM 0 HB2 LEU A 35 16.482 -8.652 0.778 1.00 1.34 H new ATOM 0 HB3 LEU A 35 15.096 -8.185 1.742 1.00 1.34 H new ATOM 0 HG LEU A 35 16.546 -5.967 2.089 1.00 70.13 H new ATOM 0 HD11 LEU A 35 17.727 -5.359 0.021 1.00 23.22 H new ATOM 0 HD12 LEU A 35 18.487 -6.741 0.844 1.00 23.22 H new ATOM 0 HD13 LEU A 35 17.481 -7.008 -0.599 1.00 23.22 H new ATOM 0 HD21 LEU A 35 15.284 -4.954 0.239 1.00 20.03 H new ATOM 0 HD22 LEU A 35 14.877 -6.577 -0.366 1.00 20.03 H new ATOM 0 HD23 LEU A 35 14.275 -6.043 1.221 1.00 20.03 H new ATOM 535 N PHE A 36 15.460 -7.167 4.312 1.00 5.35 N ATOM 536 CA PHE A 36 15.139 -6.266 5.407 1.00 22.24 C ATOM 537 C PHE A 36 15.614 -6.838 6.744 1.00 61.41 C ATOM 538 O PHE A 36 14.982 -7.737 7.298 1.00 2.04 O ATOM 539 CB PHE A 36 13.616 -6.124 5.438 1.00 52.13 C ATOM 540 CG PHE A 36 13.055 -5.201 4.355 1.00 23.51 C ATOM 541 CD1 PHE A 36 12.861 -5.672 3.094 1.00 23.43 C ATOM 542 CD2 PHE A 36 12.751 -3.909 4.653 1.00 33.42 C ATOM 543 CE1 PHE A 36 12.340 -4.815 2.088 1.00 12.33 C ATOM 544 CE2 PHE A 36 12.230 -3.053 3.647 1.00 1.43 C ATOM 545 CZ PHE A 36 12.035 -3.524 2.386 1.00 2.54 C ATOM 0 H PHE A 36 14.654 -7.500 3.783 1.00 5.35 H new ATOM 0 HA PHE A 36 15.634 -5.306 5.257 1.00 22.24 H new ATOM 0 HB2 PHE A 36 13.167 -7.111 5.328 1.00 52.13 H new ATOM 0 HB3 PHE A 36 13.317 -5.745 6.415 1.00 52.13 H new ATOM 0 HD1 PHE A 36 13.103 -6.698 2.857 1.00 23.43 H new ATOM 0 HD2 PHE A 36 12.906 -3.535 5.654 1.00 33.42 H new ATOM 0 HE1 PHE A 36 12.186 -5.189 1.087 1.00 12.33 H new ATOM 0 HE2 PHE A 36 11.988 -2.027 3.883 1.00 1.43 H new ATOM 0 HZ PHE A 36 11.638 -2.873 1.622 1.00 2.54 H new ATOM 555 N GLY A 37 16.723 -6.295 7.224 1.00 15.13 N ATOM 556 CA GLY A 37 17.289 -6.740 8.486 1.00 44.23 C ATOM 557 C GLY A 37 18.573 -7.541 8.259 1.00 13.23 C ATOM 558 O GLY A 37 19.048 -8.228 9.161 1.00 33.14 O ATOM 0 H GLY A 37 17.245 -5.551 6.761 1.00 15.13 H new ATOM 0 HA2 GLY A 37 17.501 -5.877 9.118 1.00 44.23 H new ATOM 0 HA3 GLY A 37 16.562 -7.354 9.018 1.00 44.23 H new ATOM 562 N ARG A 38 19.098 -7.425 7.048 1.00 71.12 N ATOM 563 CA ARG A 38 20.317 -8.130 6.690 1.00 72.15 C ATOM 564 C ARG A 38 21.242 -7.216 5.884 1.00 53.24 C ATOM 565 O ARG A 38 20.786 -6.483 5.007 1.00 74.14 O ATOM 566 CB ARG A 38 20.008 -9.384 5.869 1.00 13.11 C ATOM 567 CG ARG A 38 21.286 -10.166 5.562 1.00 61.12 C ATOM 568 CD ARG A 38 20.975 -11.640 5.291 1.00 23.15 C ATOM 569 NE ARG A 38 20.716 -11.846 3.849 1.00 44.20 N ATOM 570 CZ ARG A 38 20.184 -12.973 3.329 1.00 15.22 C ATOM 571 NH1 ARG A 38 19.850 -14.006 4.131 1.00 2.45 N ATOM 572 NH2 ARG A 38 19.996 -13.049 2.025 1.00 43.34 N1+ ATOM 0 H ARG A 38 18.701 -6.853 6.302 1.00 71.12 H new ATOM 0 HA ARG A 38 20.811 -8.428 7.615 1.00 72.15 H new ATOM 0 HB2 ARG A 38 19.311 -10.019 6.416 1.00 13.11 H new ATOM 0 HB3 ARG A 38 19.517 -9.102 4.938 1.00 13.11 H new ATOM 0 HG2 ARG A 38 21.784 -9.730 4.696 1.00 61.12 H new ATOM 0 HG3 ARG A 38 21.977 -10.085 6.401 1.00 61.12 H new ATOM 0 HD2 ARG A 38 21.811 -12.261 5.611 1.00 23.15 H new ATOM 0 HD3 ARG A 38 20.107 -11.950 5.873 1.00 23.15 H new ATOM 0 HE ARG A 38 20.954 -11.090 3.208 1.00 44.20 H new ATOM 0 HH11 ARG A 38 19.999 -13.939 5.138 1.00 2.45 H new ATOM 0 HH12 ARG A 38 19.449 -14.854 3.730 1.00 2.45 H new ATOM 0 HH21 ARG A 38 20.251 -12.264 1.426 1.00 43.34 H new ATOM 0 HH22 ARG A 38 19.595 -13.893 1.616 1.00 43.34 H new ATOM 585 N LYS A 39 22.524 -7.289 6.209 1.00 1.25 N ATOM 586 CA LYS A 39 23.517 -6.477 5.526 1.00 23.04 C ATOM 587 C LYS A 39 23.817 -7.092 4.157 1.00 30.04 C ATOM 588 O LYS A 39 23.170 -8.054 3.749 1.00 3.20 O ATOM 589 CB LYS A 39 24.756 -6.295 6.404 1.00 65.41 C ATOM 590 CG LYS A 39 24.624 -5.054 7.288 1.00 52.45 C ATOM 591 CD LYS A 39 25.408 -5.223 8.591 1.00 54.13 C ATOM 592 CE LYS A 39 24.707 -6.207 9.530 1.00 12.24 C ATOM 593 NZ LYS A 39 25.618 -6.621 10.620 1.00 2.13 N1+ ATOM 0 H LYS A 39 22.898 -7.898 6.936 1.00 1.25 H new ATOM 0 HA LYS A 39 23.132 -5.473 5.348 1.00 23.04 H new ATOM 0 HB2 LYS A 39 24.896 -7.177 7.028 1.00 65.41 H new ATOM 0 HB3 LYS A 39 25.642 -6.205 5.775 1.00 65.41 H new ATOM 0 HG2 LYS A 39 24.990 -4.179 6.750 1.00 52.45 H new ATOM 0 HG3 LYS A 39 23.573 -4.873 7.513 1.00 52.45 H new ATOM 0 HD2 LYS A 39 26.414 -5.580 8.370 1.00 54.13 H new ATOM 0 HD3 LYS A 39 25.513 -4.257 9.084 1.00 54.13 H new ATOM 0 HE2 LYS A 39 23.814 -5.744 9.950 1.00 12.24 H new ATOM 0 HE3 LYS A 39 24.379 -7.083 8.970 1.00 12.24 H new ATOM 0 HZ1 LYS A 39 25.127 -7.289 11.248 1.00 2.13 H new ATOM 0 HZ2 LYS A 39 26.458 -7.081 10.215 1.00 2.13 H new ATOM 0 HZ3 LYS A 39 25.910 -5.785 11.165 1.00 2.13 H new ATOM 606 N THR A 40 24.800 -6.509 3.486 1.00 35.13 N ATOM 607 CA THR A 40 25.195 -6.988 2.171 1.00 75.44 C ATOM 608 C THR A 40 26.244 -8.093 2.299 1.00 43.11 C ATOM 609 O THR A 40 26.936 -8.184 3.313 1.00 72.31 O ATOM 610 CB THR A 40 25.674 -5.786 1.355 1.00 74.21 C ATOM 611 OG1 THR A 40 26.943 -5.466 1.921 1.00 42.25 O ATOM 612 CG2 THR A 40 24.830 -4.534 1.604 1.00 52.34 C ATOM 0 H THR A 40 25.334 -5.710 3.828 1.00 35.13 H new ATOM 0 HA THR A 40 24.354 -7.441 1.646 1.00 75.44 H new ATOM 0 HB THR A 40 25.649 -6.035 0.294 1.00 74.21 H new ATOM 0 HG1 THR A 40 26.846 -4.706 2.533 1.00 42.25 H new ATOM 0 HG21 THR A 40 25.213 -3.711 1.000 1.00 52.34 H new ATOM 0 HG22 THR A 40 23.794 -4.733 1.330 1.00 52.34 H new ATOM 0 HG23 THR A 40 24.881 -4.265 2.659 1.00 52.34 H new ATOM 620 N GLY A 41 26.331 -8.907 1.257 1.00 61.55 N ATOM 621 CA GLY A 41 27.284 -10.003 1.240 1.00 62.50 C ATOM 622 C GLY A 41 27.015 -10.982 2.384 1.00 21.13 C ATOM 623 O GLY A 41 27.949 -11.492 3.002 1.00 23.11 O ATOM 0 H GLY A 41 25.756 -8.829 0.418 1.00 61.55 H new ATOM 0 HA2 GLY A 41 27.223 -10.527 0.286 1.00 62.50 H new ATOM 0 HA3 GLY A 41 28.297 -9.610 1.324 1.00 62.50 H new ATOM 627 N GLN A 42 25.735 -11.214 2.633 1.00 20.11 N ATOM 628 CA GLN A 42 25.331 -12.123 3.693 1.00 50.44 C ATOM 629 C GLN A 42 24.878 -13.459 3.102 1.00 23.41 C ATOM 630 O GLN A 42 24.058 -14.158 3.695 1.00 22.22 O ATOM 631 CB GLN A 42 24.230 -11.503 4.556 1.00 22.15 C ATOM 632 CG GLN A 42 24.587 -10.070 4.954 1.00 43.33 C ATOM 633 CD GLN A 42 25.629 -10.055 6.074 1.00 74.22 C ATOM 634 OE1 GLN A 42 25.380 -10.468 7.195 1.00 53.24 O ATOM 635 NE2 GLN A 42 26.808 -9.557 5.710 1.00 55.35 N ATOM 0 H GLN A 42 24.963 -10.788 2.119 1.00 20.11 H new ATOM 0 HA GLN A 42 26.192 -12.306 4.336 1.00 50.44 H new ATOM 0 HB2 GLN A 42 23.288 -11.508 4.008 1.00 22.15 H new ATOM 0 HB3 GLN A 42 24.082 -12.107 5.451 1.00 22.15 H new ATOM 0 HG2 GLN A 42 24.972 -9.533 4.087 1.00 43.33 H new ATOM 0 HG3 GLN A 42 23.689 -9.545 5.281 1.00 43.33 H new ATOM 0 HE21 GLN A 42 26.950 -9.228 4.755 1.00 55.35 H new ATOM 0 HE22 GLN A 42 27.570 -9.504 6.386 1.00 55.35 H new ATOM 644 N ALA A 43 25.431 -13.774 1.940 1.00 70.23 N ATOM 645 CA ALA A 43 25.094 -15.014 1.262 1.00 30.12 C ATOM 646 C ALA A 43 26.300 -15.956 1.301 1.00 64.14 C ATOM 647 O ALA A 43 27.220 -15.825 0.495 1.00 13.20 O ATOM 648 CB ALA A 43 24.639 -14.708 -0.166 1.00 22.12 C ATOM 0 H ALA A 43 26.110 -13.192 1.451 1.00 70.23 H new ATOM 0 HA ALA A 43 24.268 -15.515 1.767 1.00 30.12 H new ATOM 0 HB1 ALA A 43 24.386 -15.638 -0.675 1.00 22.12 H new ATOM 0 HB2 ALA A 43 23.763 -14.060 -0.138 1.00 22.12 H new ATOM 0 HB3 ALA A 43 25.443 -14.207 -0.705 1.00 22.12 H new ATOM 654 N PRO A 44 26.255 -16.907 2.271 1.00 21.12 N ATOM 655 CA PRO A 44 27.332 -17.870 2.426 1.00 3.52 C ATOM 656 C PRO A 44 27.276 -18.936 1.330 1.00 70.11 C ATOM 657 O PRO A 44 28.108 -19.841 1.296 1.00 13.44 O ATOM 658 CB PRO A 44 27.151 -18.443 3.822 1.00 43.33 C ATOM 659 CG PRO A 44 25.718 -18.127 4.219 1.00 50.30 C ATOM 660 CD PRO A 44 25.182 -17.091 3.244 1.00 14.51 C ATOM 0 HA PRO A 44 28.318 -17.418 2.321 1.00 3.52 H new ATOM 0 HB2 PRO A 44 27.330 -19.518 3.829 1.00 43.33 H new ATOM 0 HB3 PRO A 44 27.858 -17.997 4.522 1.00 43.33 H new ATOM 0 HG2 PRO A 44 25.107 -19.029 4.192 1.00 50.30 H new ATOM 0 HG3 PRO A 44 25.680 -17.746 5.240 1.00 50.30 H new ATOM 0 HD2 PRO A 44 24.267 -17.436 2.763 1.00 14.51 H new ATOM 0 HD3 PRO A 44 24.943 -16.156 3.751 1.00 14.51 H new ATOM 668 N GLY A 45 26.288 -18.793 0.459 1.00 63.41 N ATOM 669 CA GLY A 45 26.113 -19.732 -0.635 1.00 62.30 C ATOM 670 C GLY A 45 26.603 -19.133 -1.955 1.00 51.31 C ATOM 671 O GLY A 45 26.784 -19.851 -2.937 1.00 1.41 O ATOM 0 H GLY A 45 25.600 -18.040 0.489 1.00 63.41 H new ATOM 0 HA2 GLY A 45 26.661 -20.650 -0.422 1.00 62.30 H new ATOM 0 HA3 GLY A 45 25.061 -20.002 -0.722 1.00 62.30 H new ATOM 675 N TYR A 46 26.804 -17.824 -1.936 1.00 31.42 N ATOM 676 CA TYR A 46 27.270 -17.120 -3.119 1.00 33.33 C ATOM 677 C TYR A 46 28.054 -15.864 -2.736 1.00 21.45 C ATOM 678 O TYR A 46 27.465 -14.846 -2.374 1.00 53.01 O ATOM 679 CB TYR A 46 26.012 -16.708 -3.887 1.00 11.41 C ATOM 680 CG TYR A 46 26.297 -16.032 -5.229 1.00 3.21 C ATOM 681 CD1 TYR A 46 27.258 -16.550 -6.073 1.00 70.24 C ATOM 682 CD2 TYR A 46 25.592 -14.904 -5.597 1.00 42.12 C ATOM 683 CE1 TYR A 46 27.526 -15.914 -7.337 1.00 41.12 C ATOM 684 CE2 TYR A 46 25.860 -14.267 -6.860 1.00 4.30 C ATOM 685 CZ TYR A 46 26.814 -14.804 -7.668 1.00 64.21 C ATOM 686 OH TYR A 46 27.067 -14.203 -8.861 1.00 73.20 O ATOM 0 H TYR A 46 26.653 -17.232 -1.120 1.00 31.42 H new ATOM 0 HA TYR A 46 27.931 -17.755 -3.709 1.00 33.33 H new ATOM 0 HB2 TYR A 46 25.398 -17.592 -4.060 1.00 11.41 H new ATOM 0 HB3 TYR A 46 25.426 -16.030 -3.267 1.00 11.41 H new ATOM 0 HD1 TYR A 46 27.810 -17.433 -5.785 1.00 70.24 H new ATOM 0 HD2 TYR A 46 24.839 -14.499 -4.937 1.00 42.12 H new ATOM 0 HE1 TYR A 46 28.275 -16.310 -8.007 1.00 41.12 H new ATOM 0 HE2 TYR A 46 25.316 -13.383 -7.159 1.00 4.30 H new ATOM 0 HH TYR A 46 26.483 -13.423 -8.964 1.00 73.20 H new ATOM 696 N SER A 47 29.371 -15.976 -2.829 1.00 61.13 N ATOM 697 CA SER A 47 30.242 -14.861 -2.497 1.00 50.02 C ATOM 698 C SER A 47 30.199 -13.814 -3.612 1.00 61.25 C ATOM 699 O SER A 47 30.292 -14.152 -4.791 1.00 74.42 O ATOM 700 CB SER A 47 31.679 -15.335 -2.269 1.00 64.01 C ATOM 701 OG SER A 47 31.758 -16.327 -1.249 1.00 62.20 O ATOM 0 H SER A 47 29.856 -16.822 -3.129 1.00 61.13 H new ATOM 0 HA SER A 47 29.885 -14.411 -1.571 1.00 50.02 H new ATOM 0 HB2 SER A 47 32.080 -15.738 -3.199 1.00 64.01 H new ATOM 0 HB3 SER A 47 32.303 -14.484 -1.996 1.00 64.01 H new ATOM 0 HG SER A 47 32.691 -16.605 -1.135 1.00 62.20 H new ATOM 707 N TYR A 48 30.059 -12.563 -3.199 1.00 23.43 N ATOM 708 CA TYR A 48 30.003 -11.463 -4.147 1.00 51.03 C ATOM 709 C TYR A 48 31.389 -10.851 -4.360 1.00 50.11 C ATOM 710 O TYR A 48 32.394 -11.420 -3.938 1.00 44.52 O ATOM 711 CB TYR A 48 29.084 -10.412 -3.521 1.00 20.35 C ATOM 712 CG TYR A 48 27.767 -10.977 -2.984 1.00 25.13 C ATOM 713 CD1 TYR A 48 27.337 -12.225 -3.387 1.00 3.33 C ATOM 714 CD2 TYR A 48 27.010 -10.238 -2.098 1.00 40.21 C ATOM 715 CE1 TYR A 48 26.097 -12.756 -2.882 1.00 31.53 C ATOM 716 CE2 TYR A 48 25.770 -10.770 -1.593 1.00 74.50 C ATOM 717 CZ TYR A 48 25.375 -12.002 -2.010 1.00 31.14 C ATOM 718 OH TYR A 48 24.204 -12.504 -1.534 1.00 23.04 O ATOM 0 H TYR A 48 29.983 -12.286 -2.220 1.00 23.43 H new ATOM 0 HA TYR A 48 29.642 -11.809 -5.115 1.00 51.03 H new ATOM 0 HB2 TYR A 48 29.615 -9.919 -2.707 1.00 20.35 H new ATOM 0 HB3 TYR A 48 28.863 -9.648 -4.266 1.00 20.35 H new ATOM 0 HD1 TYR A 48 27.930 -12.803 -4.080 1.00 3.33 H new ATOM 0 HD2 TYR A 48 27.347 -9.261 -1.783 1.00 40.21 H new ATOM 0 HE1 TYR A 48 25.748 -13.731 -3.189 1.00 31.53 H new ATOM 0 HE2 TYR A 48 25.168 -10.203 -0.899 1.00 74.50 H new ATOM 0 HH TYR A 48 23.796 -11.858 -0.920 1.00 23.04 H new ATOM 728 N THR A 49 31.397 -9.699 -5.014 1.00 5.20 N ATOM 729 CA THR A 49 32.643 -9.003 -5.288 1.00 43.03 C ATOM 730 C THR A 49 33.225 -8.423 -3.997 1.00 11.41 C ATOM 731 O THR A 49 32.683 -8.642 -2.914 1.00 40.24 O ATOM 732 CB THR A 49 32.369 -7.946 -6.359 1.00 0.23 C ATOM 733 OG1 THR A 49 31.100 -7.406 -5.997 1.00 65.43 O ATOM 734 CG2 THR A 49 32.133 -8.559 -7.740 1.00 63.33 C ATOM 0 H THR A 49 30.561 -9.230 -5.362 1.00 5.20 H new ATOM 0 HA THR A 49 33.401 -9.686 -5.671 1.00 43.03 H new ATOM 0 HB THR A 49 33.209 -7.253 -6.409 1.00 0.23 H new ATOM 0 HG1 THR A 49 30.845 -6.710 -6.639 1.00 65.43 H new ATOM 0 HG21 THR A 49 31.943 -7.765 -8.463 1.00 63.33 H new ATOM 0 HG22 THR A 49 33.015 -9.123 -8.043 1.00 63.33 H new ATOM 0 HG23 THR A 49 31.272 -9.226 -7.700 1.00 63.33 H new ATOM 742 N ALA A 50 34.321 -7.696 -4.154 1.00 63.11 N ATOM 743 CA ALA A 50 34.982 -7.083 -3.014 1.00 4.40 C ATOM 744 C ALA A 50 34.455 -5.659 -2.829 1.00 24.52 C ATOM 745 O ALA A 50 34.832 -4.972 -1.881 1.00 65.45 O ATOM 746 CB ALA A 50 36.498 -7.121 -3.222 1.00 22.44 C ATOM 0 H ALA A 50 34.768 -7.517 -5.053 1.00 63.11 H new ATOM 0 HA ALA A 50 34.764 -7.636 -2.101 1.00 4.40 H new ATOM 0 HB1 ALA A 50 36.994 -6.661 -2.367 1.00 22.44 H new ATOM 0 HB2 ALA A 50 36.826 -8.156 -3.319 1.00 22.44 H new ATOM 0 HB3 ALA A 50 36.755 -6.573 -4.128 1.00 22.44 H new ATOM 752 N ALA A 51 33.590 -5.258 -3.749 1.00 22.13 N ATOM 753 CA ALA A 51 33.006 -3.929 -3.699 1.00 24.51 C ATOM 754 C ALA A 51 31.644 -4.000 -3.006 1.00 32.14 C ATOM 755 O ALA A 51 31.291 -3.113 -2.230 1.00 53.32 O ATOM 756 CB ALA A 51 32.911 -3.359 -5.115 1.00 73.13 C ATOM 0 H ALA A 51 33.280 -5.831 -4.534 1.00 22.13 H new ATOM 0 HA ALA A 51 33.636 -3.255 -3.118 1.00 24.51 H new ATOM 0 HB1 ALA A 51 32.473 -2.362 -5.077 1.00 73.13 H new ATOM 0 HB2 ALA A 51 33.908 -3.301 -5.551 1.00 73.13 H new ATOM 0 HB3 ALA A 51 32.284 -4.008 -5.727 1.00 73.13 H new ATOM 762 N ASN A 52 30.916 -5.064 -3.311 1.00 72.12 N ATOM 763 CA ASN A 52 29.600 -5.263 -2.727 1.00 72.03 C ATOM 764 C ASN A 52 29.753 -5.850 -1.322 1.00 44.33 C ATOM 765 O ASN A 52 29.046 -5.452 -0.398 1.00 21.23 O ATOM 766 CB ASN A 52 28.770 -6.241 -3.560 1.00 71.24 C ATOM 767 CG ASN A 52 27.273 -5.977 -3.385 1.00 1.21 C ATOM 768 OD1 ASN A 52 26.662 -5.211 -4.113 1.00 10.34 O ATOM 769 ND2 ASN A 52 26.718 -6.651 -2.382 1.00 51.41 N ATOM 0 H ASN A 52 31.212 -5.797 -3.955 1.00 72.12 H new ATOM 0 HA ASN A 52 29.096 -4.297 -2.696 1.00 72.03 H new ATOM 0 HB2 ASN A 52 29.039 -6.147 -4.612 1.00 71.24 H new ATOM 0 HB3 ASN A 52 29.000 -7.264 -3.262 1.00 71.24 H new ATOM 0 HD21 ASN A 52 25.723 -6.543 -2.184 1.00 51.41 H new ATOM 0 HD22 ASN A 52 27.287 -7.276 -1.811 1.00 51.41 H new ATOM 776 N LYS A 53 30.682 -6.788 -1.206 1.00 31.33 N ATOM 777 CA LYS A 53 30.937 -7.434 0.070 1.00 23.25 C ATOM 778 C LYS A 53 31.451 -6.395 1.069 1.00 40.10 C ATOM 779 O LYS A 53 31.467 -6.642 2.274 1.00 44.44 O ATOM 780 CB LYS A 53 31.876 -8.628 -0.112 1.00 41.40 C ATOM 781 CG LYS A 53 31.765 -9.598 1.066 1.00 75.03 C ATOM 782 CD LYS A 53 33.082 -10.345 1.287 1.00 74.12 C ATOM 783 CE LYS A 53 32.863 -11.605 2.128 1.00 55.52 C ATOM 784 NZ LYS A 53 31.975 -12.553 1.418 1.00 13.54 N1+ ATOM 0 H LYS A 53 31.267 -7.116 -1.975 1.00 31.33 H new ATOM 0 HA LYS A 53 30.014 -7.843 0.481 1.00 23.25 H new ATOM 0 HB2 LYS A 53 31.634 -9.147 -1.039 1.00 41.40 H new ATOM 0 HB3 LYS A 53 32.904 -8.276 -0.202 1.00 41.40 H new ATOM 0 HG2 LYS A 53 31.498 -9.050 1.969 1.00 75.03 H new ATOM 0 HG3 LYS A 53 30.964 -10.313 0.879 1.00 75.03 H new ATOM 0 HD2 LYS A 53 33.516 -10.617 0.325 1.00 74.12 H new ATOM 0 HD3 LYS A 53 33.797 -9.690 1.786 1.00 74.12 H new ATOM 0 HE2 LYS A 53 33.821 -12.081 2.337 1.00 55.52 H new ATOM 0 HE3 LYS A 53 32.424 -11.336 3.089 1.00 55.52 H new ATOM 0 HZ1 LYS A 53 32.410 -13.498 1.411 1.00 13.54 H new ATOM 0 HZ2 LYS A 53 31.056 -12.598 1.903 1.00 13.54 H new ATOM 0 HZ3 LYS A 53 31.834 -12.230 0.440 1.00 13.54 H new ATOM 797 N ASN A 54 31.857 -5.254 0.532 1.00 32.11 N ATOM 798 CA ASN A 54 32.370 -4.177 1.361 1.00 62.53 C ATOM 799 C ASN A 54 31.256 -3.159 1.614 1.00 21.52 C ATOM 800 O ASN A 54 31.414 -2.248 2.425 1.00 54.24 O ATOM 801 CB ASN A 54 33.525 -3.451 0.669 1.00 4.13 C ATOM 802 CG ASN A 54 34.493 -2.858 1.695 1.00 23.22 C ATOM 803 OD1 ASN A 54 34.114 -2.121 2.591 1.00 64.31 O ATOM 804 ND2 ASN A 54 35.760 -3.218 1.515 1.00 31.23 N ATOM 0 H ASN A 54 31.841 -5.052 -0.468 1.00 32.11 H new ATOM 0 HA ASN A 54 32.725 -4.611 2.296 1.00 62.53 H new ATOM 0 HB2 ASN A 54 34.058 -4.145 0.019 1.00 4.13 H new ATOM 0 HB3 ASN A 54 33.132 -2.657 0.034 1.00 4.13 H new ATOM 0 HD21 ASN A 54 36.483 -2.874 2.147 1.00 31.23 H new ATOM 0 HD22 ASN A 54 36.009 -3.838 0.745 1.00 31.23 H new ATOM 811 N LYS A 55 30.153 -3.348 0.904 1.00 3.10 N ATOM 812 CA LYS A 55 29.013 -2.458 1.041 1.00 52.01 C ATOM 813 C LYS A 55 28.261 -2.794 2.330 1.00 71.13 C ATOM 814 O LYS A 55 27.069 -3.096 2.297 1.00 34.34 O ATOM 815 CB LYS A 55 28.138 -2.512 -0.213 1.00 61.43 C ATOM 816 CG LYS A 55 27.280 -1.251 -0.337 1.00 35.11 C ATOM 817 CD LYS A 55 28.127 -0.052 -0.769 1.00 31.33 C ATOM 818 CE LYS A 55 27.550 1.254 -0.218 1.00 31.13 C ATOM 819 NZ LYS A 55 27.945 2.396 -1.072 1.00 40.52 N1+ ATOM 0 H LYS A 55 30.025 -4.105 0.232 1.00 3.10 H new ATOM 0 HA LYS A 55 29.345 -1.423 1.126 1.00 52.01 H new ATOM 0 HB2 LYS A 55 28.768 -2.616 -1.096 1.00 61.43 H new ATOM 0 HB3 LYS A 55 27.495 -3.391 -0.175 1.00 61.43 H new ATOM 0 HG2 LYS A 55 26.484 -1.418 -1.062 1.00 35.11 H new ATOM 0 HG3 LYS A 55 26.801 -1.037 0.619 1.00 35.11 H new ATOM 0 HD2 LYS A 55 29.150 -0.179 -0.416 1.00 31.33 H new ATOM 0 HD3 LYS A 55 28.169 -0.005 -1.857 1.00 31.33 H new ATOM 0 HE2 LYS A 55 26.463 1.187 -0.170 1.00 31.13 H new ATOM 0 HE3 LYS A 55 27.904 1.414 0.800 1.00 31.13 H new ATOM 0 HZ1 LYS A 55 27.574 3.278 -0.665 1.00 40.52 H new ATOM 0 HZ2 LYS A 55 28.982 2.448 -1.124 1.00 40.52 H new ATOM 0 HZ3 LYS A 55 27.557 2.265 -2.028 1.00 40.52 H new ATOM 832 N GLY A 56 28.989 -2.731 3.435 1.00 14.34 N ATOM 833 CA GLY A 56 28.406 -3.025 4.733 1.00 1.53 C ATOM 834 C GLY A 56 27.296 -2.028 5.074 1.00 71.44 C ATOM 835 O GLY A 56 27.542 -1.024 5.742 1.00 74.10 O ATOM 0 H GLY A 56 29.978 -2.481 3.458 1.00 14.34 H new ATOM 0 HA2 GLY A 56 28.003 -4.038 4.734 1.00 1.53 H new ATOM 0 HA3 GLY A 56 29.180 -2.989 5.500 1.00 1.53 H new ATOM 839 N ILE A 57 26.099 -2.340 4.601 1.00 74.01 N ATOM 840 CA ILE A 57 24.950 -1.484 4.847 1.00 43.32 C ATOM 841 C ILE A 57 23.671 -2.319 4.766 1.00 62.24 C ATOM 842 O ILE A 57 23.589 -3.261 3.979 1.00 3.42 O ATOM 843 CB ILE A 57 24.963 -0.284 3.898 1.00 40.53 C ATOM 844 CG1 ILE A 57 24.792 -0.732 2.445 1.00 32.54 C ATOM 845 CG2 ILE A 57 26.227 0.556 4.093 1.00 3.00 C ATOM 846 CD1 ILE A 57 23.311 -0.850 2.078 1.00 32.33 C ATOM 0 H ILE A 57 25.899 -3.174 4.048 1.00 74.01 H new ATOM 0 HA ILE A 57 24.995 -1.066 5.853 1.00 43.32 H new ATOM 0 HB ILE A 57 24.112 0.353 4.141 1.00 40.53 H new ATOM 0 HG12 ILE A 57 25.279 -0.018 1.781 1.00 32.54 H new ATOM 0 HG13 ILE A 57 25.285 -1.693 2.297 1.00 32.54 H new ATOM 0 HG21 ILE A 57 26.211 1.402 3.406 1.00 3.00 H new ATOM 0 HG22 ILE A 57 26.266 0.922 5.119 1.00 3.00 H new ATOM 0 HG23 ILE A 57 27.106 -0.057 3.893 1.00 3.00 H new ATOM 0 HD11 ILE A 57 23.218 -1.170 1.040 1.00 32.33 H new ATOM 0 HD12 ILE A 57 22.832 -1.583 2.728 1.00 32.33 H new ATOM 0 HD13 ILE A 57 22.827 0.118 2.204 1.00 32.33 H new ATOM 858 N ILE A 58 22.704 -1.943 5.590 1.00 34.44 N ATOM 859 CA ILE A 58 21.432 -2.645 5.621 1.00 71.13 C ATOM 860 C ILE A 58 20.593 -2.226 4.412 1.00 61.15 C ATOM 861 O ILE A 58 20.731 -1.110 3.914 1.00 1.32 O ATOM 862 CB ILE A 58 20.731 -2.424 6.963 1.00 10.41 C ATOM 863 CG1 ILE A 58 21.580 -2.957 8.119 1.00 53.34 C ATOM 864 CG2 ILE A 58 19.327 -3.032 6.955 1.00 13.54 C ATOM 865 CD1 ILE A 58 21.288 -4.437 8.377 1.00 42.52 C ATOM 0 H ILE A 58 22.776 -1.161 6.241 1.00 34.44 H new ATOM 0 HA ILE A 58 21.589 -3.721 5.543 1.00 71.13 H new ATOM 0 HB ILE A 58 20.616 -1.351 7.116 1.00 10.41 H new ATOM 0 HG12 ILE A 58 22.637 -2.826 7.889 1.00 53.34 H new ATOM 0 HG13 ILE A 58 21.376 -2.380 9.021 1.00 53.34 H new ATOM 0 HG21 ILE A 58 18.851 -2.861 7.920 1.00 13.54 H new ATOM 0 HG22 ILE A 58 18.733 -2.565 6.170 1.00 13.54 H new ATOM 0 HG23 ILE A 58 19.396 -4.104 6.769 1.00 13.54 H new ATOM 0 HD11 ILE A 58 21.905 -4.791 9.203 1.00 42.52 H new ATOM 0 HD12 ILE A 58 20.235 -4.561 8.631 1.00 42.52 H new ATOM 0 HD13 ILE A 58 21.516 -5.014 7.481 1.00 42.52 H new ATOM 877 N TRP A 59 19.742 -3.143 3.976 1.00 12.43 N ATOM 878 CA TRP A 59 18.880 -2.882 2.836 1.00 31.13 C ATOM 879 C TRP A 59 17.510 -2.456 3.366 1.00 62.44 C ATOM 880 O TRP A 59 16.625 -3.291 3.550 1.00 4.32 O ATOM 881 CB TRP A 59 18.812 -4.099 1.911 1.00 3.14 C ATOM 882 CG TRP A 59 20.038 -4.265 1.010 1.00 60.14 C ATOM 883 CD1 TRP A 59 20.823 -5.343 0.876 1.00 33.12 C ATOM 884 CD2 TRP A 59 20.591 -3.275 0.118 1.00 22.32 C ATOM 885 NE1 TRP A 59 21.837 -5.121 -0.033 1.00 43.14 N ATOM 886 CE2 TRP A 59 21.691 -3.823 -0.509 1.00 22.33 C ATOM 887 CE3 TRP A 59 20.174 -1.959 -0.150 1.00 1.23 C ATOM 888 CZ2 TRP A 59 22.466 -3.127 -1.444 1.00 75.24 C ATOM 889 CZ3 TRP A 59 20.960 -1.276 -1.086 1.00 14.52 C ATOM 890 CH2 TRP A 59 22.071 -1.814 -1.726 1.00 62.15 C ATOM 0 H TRP A 59 19.631 -4.068 4.392 1.00 12.43 H new ATOM 0 HA TRP A 59 19.282 -2.074 2.225 1.00 31.13 H new ATOM 0 HB2 TRP A 59 18.695 -4.997 2.517 1.00 3.14 H new ATOM 0 HB3 TRP A 59 17.923 -4.018 1.286 1.00 3.14 H new ATOM 0 HD1 TRP A 59 20.680 -6.269 1.412 1.00 33.12 H new ATOM 0 HE1 TRP A 59 22.560 -5.787 -0.305 1.00 43.14 H new ATOM 0 HE3 TRP A 59 19.316 -1.511 0.328 1.00 1.23 H new ATOM 0 HZ2 TRP A 59 23.323 -3.579 -1.922 1.00 75.24 H new ATOM 0 HZ3 TRP A 59 20.684 -0.260 -1.328 1.00 14.52 H new ATOM 0 HH2 TRP A 59 22.627 -1.221 -2.438 1.00 62.15 H new ATOM 901 N GLY A 60 17.377 -1.158 3.596 1.00 60.12 N ATOM 902 CA GLY A 60 16.129 -0.612 4.101 1.00 61.54 C ATOM 903 C GLY A 60 15.390 0.166 3.011 1.00 2.44 C ATOM 904 O GLY A 60 15.838 0.216 1.866 1.00 64.10 O ATOM 0 H GLY A 60 18.113 -0.469 3.442 1.00 60.12 H new ATOM 0 HA2 GLY A 60 15.497 -1.420 4.468 1.00 61.54 H new ATOM 0 HA3 GLY A 60 16.331 0.044 4.948 1.00 61.54 H new ATOM 908 N GLU A 61 14.270 0.754 3.404 1.00 1.02 N ATOM 909 CA GLU A 61 13.464 1.528 2.475 1.00 43.51 C ATOM 910 C GLU A 61 14.088 2.906 2.250 1.00 54.24 C ATOM 911 O GLU A 61 13.714 3.617 1.319 1.00 64.13 O ATOM 912 CB GLU A 61 12.022 1.653 2.971 1.00 4.31 C ATOM 913 CG GLU A 61 11.421 0.277 3.263 1.00 42.02 C ATOM 914 CD GLU A 61 9.896 0.309 3.147 1.00 40.13 C ATOM 915 OE1 GLU A 61 9.194 -0.098 4.085 1.00 42.11 O ATOM 916 OE2 GLU A 61 9.443 0.778 2.034 1.00 53.22 O1- ATOM 0 H GLU A 61 13.901 0.710 4.354 1.00 1.02 H new ATOM 0 HA GLU A 61 13.440 1.002 1.521 1.00 43.51 H new ATOM 0 HB2 GLU A 61 11.996 2.264 3.873 1.00 4.31 H new ATOM 0 HB3 GLU A 61 11.419 2.165 2.221 1.00 4.31 H new ATOM 0 HG2 GLU A 61 11.827 -0.456 2.566 1.00 42.02 H new ATOM 0 HG3 GLU A 61 11.706 -0.043 4.265 1.00 42.02 H new ATOM 924 N ASP A 62 15.030 3.242 3.119 1.00 41.03 N ATOM 925 CA ASP A 62 15.710 4.523 3.028 1.00 11.04 C ATOM 926 C ASP A 62 16.933 4.382 2.119 1.00 64.11 C ATOM 927 O ASP A 62 17.327 5.336 1.450 1.00 4.51 O ATOM 928 CB ASP A 62 16.194 4.989 4.402 1.00 52.14 C ATOM 929 CG ASP A 62 15.131 5.673 5.264 1.00 62.42 C ATOM 930 OD1 ASP A 62 15.030 5.420 6.474 1.00 35.04 O ATOM 931 OD2 ASP A 62 14.375 6.509 4.636 1.00 62.51 O1- ATOM 0 H ASP A 62 15.338 2.649 3.890 1.00 41.03 H new ATOM 0 HA ASP A 62 15.005 5.252 2.628 1.00 11.04 H new ATOM 0 HB2 ASP A 62 16.582 4.127 4.945 1.00 52.14 H new ATOM 0 HB3 ASP A 62 17.026 5.679 4.263 1.00 52.14 H new ATOM 937 N THR A 63 17.500 3.185 2.125 1.00 73.22 N ATOM 938 CA THR A 63 18.670 2.907 1.309 1.00 3.24 C ATOM 939 C THR A 63 18.250 2.372 -0.061 1.00 11.02 C ATOM 940 O THR A 63 18.642 2.918 -1.091 1.00 1.20 O ATOM 941 CB THR A 63 19.571 1.946 2.087 1.00 40.22 C ATOM 942 OG1 THR A 63 18.775 0.774 2.244 1.00 4.21 O ATOM 943 CG2 THR A 63 19.830 2.415 3.520 1.00 44.33 C ATOM 0 H THR A 63 17.171 2.396 2.682 1.00 73.22 H new ATOM 0 HA THR A 63 19.237 3.816 1.108 1.00 3.24 H new ATOM 0 HB THR A 63 20.521 1.837 1.564 1.00 40.22 H new ATOM 0 HG1 THR A 63 19.140 0.054 1.689 1.00 4.21 H new ATOM 0 HG21 THR A 63 20.475 1.697 4.027 1.00 44.33 H new ATOM 0 HG22 THR A 63 20.317 3.390 3.501 1.00 44.33 H new ATOM 0 HG23 THR A 63 18.883 2.493 4.054 1.00 44.33 H new ATOM 951 N LEU A 64 17.458 1.311 -0.029 1.00 10.45 N ATOM 952 CA LEU A 64 16.981 0.696 -1.256 1.00 43.40 C ATOM 953 C LEU A 64 16.610 1.790 -2.259 1.00 72.41 C ATOM 954 O LEU A 64 16.895 1.669 -3.449 1.00 42.34 O ATOM 955 CB LEU A 64 15.839 -0.278 -0.958 1.00 75.52 C ATOM 956 CG LEU A 64 16.251 -1.646 -0.408 1.00 12.32 C ATOM 957 CD1 LEU A 64 15.062 -2.355 0.243 1.00 31.02 C ATOM 958 CD2 LEU A 64 16.903 -2.501 -1.496 1.00 20.25 C ATOM 0 H LEU A 64 17.134 0.861 0.827 1.00 10.45 H new ATOM 0 HA LEU A 64 17.769 0.097 -1.713 1.00 43.40 H new ATOM 0 HB2 LEU A 64 15.165 0.192 -0.242 1.00 75.52 H new ATOM 0 HB3 LEU A 64 15.271 -0.433 -1.876 1.00 75.52 H new ATOM 0 HG LEU A 64 16.999 -1.491 0.370 1.00 12.32 H new ATOM 0 HD11 LEU A 64 15.381 -3.324 0.626 1.00 31.02 H new ATOM 0 HD12 LEU A 64 14.682 -1.748 1.065 1.00 31.02 H new ATOM 0 HD13 LEU A 64 14.274 -2.498 -0.497 1.00 31.02 H new ATOM 0 HD21 LEU A 64 17.186 -3.467 -1.079 1.00 20.25 H new ATOM 0 HD22 LEU A 64 16.197 -2.651 -2.313 1.00 20.25 H new ATOM 0 HD23 LEU A 64 17.791 -1.994 -1.873 1.00 20.25 H new ATOM 970 N MET A 65 15.979 2.833 -1.741 1.00 14.04 N ATOM 971 CA MET A 65 15.565 3.948 -2.576 1.00 64.51 C ATOM 972 C MET A 65 16.745 4.496 -3.382 1.00 44.11 C ATOM 973 O MET A 65 16.781 4.362 -4.604 1.00 35.15 O ATOM 974 CB MET A 65 14.988 5.059 -1.696 1.00 75.32 C ATOM 975 CG MET A 65 13.911 5.847 -2.444 1.00 12.54 C ATOM 976 SD MET A 65 12.312 5.098 -2.179 1.00 72.52 S ATOM 977 CE MET A 65 11.962 4.521 -3.831 1.00 71.41 C ATOM 0 H MET A 65 15.744 2.930 -0.753 1.00 14.04 H new ATOM 0 HA MET A 65 14.806 3.594 -3.273 1.00 64.51 H new ATOM 0 HB2 MET A 65 14.564 4.627 -0.790 1.00 75.32 H new ATOM 0 HB3 MET A 65 15.786 5.733 -1.384 1.00 75.32 H new ATOM 0 HG2 MET A 65 13.899 6.881 -2.099 1.00 12.54 H new ATOM 0 HG3 MET A 65 14.139 5.869 -3.510 1.00 12.54 H new ATOM 0 HE1 MET A 65 11.215 3.729 -3.789 1.00 71.41 H new ATOM 0 HE2 MET A 65 11.582 5.347 -4.432 1.00 71.41 H new ATOM 0 HE3 MET A 65 12.876 4.134 -4.283 1.00 71.41 H new ATOM 987 N GLU A 66 17.680 5.102 -2.666 1.00 20.23 N ATOM 988 CA GLU A 66 18.857 5.671 -3.299 1.00 4.35 C ATOM 989 C GLU A 66 19.433 4.692 -4.324 1.00 12.41 C ATOM 990 O GLU A 66 19.507 5.003 -5.512 1.00 31.41 O ATOM 991 CB GLU A 66 19.909 6.055 -2.257 1.00 2.12 C ATOM 992 CG GLU A 66 20.652 7.327 -2.671 1.00 74.21 C ATOM 993 CD GLU A 66 19.987 8.569 -2.075 1.00 11.01 C ATOM 994 OE1 GLU A 66 18.759 8.717 -2.164 1.00 62.03 O ATOM 995 OE2 GLU A 66 20.792 9.398 -1.502 1.00 61.41 O1- ATOM 0 H GLU A 66 17.646 5.211 -1.652 1.00 20.23 H new ATOM 0 HA GLU A 66 18.561 6.581 -3.820 1.00 4.35 H new ATOM 0 HB2 GLU A 66 19.429 6.208 -1.290 1.00 2.12 H new ATOM 0 HB3 GLU A 66 20.620 5.238 -2.134 1.00 2.12 H new ATOM 0 HG2 GLU A 66 21.689 7.271 -2.340 1.00 74.21 H new ATOM 0 HG3 GLU A 66 20.669 7.405 -3.758 1.00 74.21 H new ATOM 1003 N TYR A 67 19.827 3.528 -3.828 1.00 2.54 N ATOM 1004 CA TYR A 67 20.394 2.502 -4.686 1.00 70.14 C ATOM 1005 C TYR A 67 19.528 2.286 -5.929 1.00 15.44 C ATOM 1006 O TYR A 67 20.048 2.125 -7.032 1.00 20.34 O ATOM 1007 CB TYR A 67 20.404 1.217 -3.856 1.00 71.01 C ATOM 1008 CG TYR A 67 20.849 -0.023 -4.634 1.00 33.43 C ATOM 1009 CD1 TYR A 67 22.194 -0.293 -4.791 1.00 25.24 C ATOM 1010 CD2 TYR A 67 19.907 -0.871 -5.180 1.00 73.53 C ATOM 1011 CE1 TYR A 67 22.613 -1.460 -5.524 1.00 12.44 C ATOM 1012 CE2 TYR A 67 20.326 -2.038 -5.912 1.00 50.13 C ATOM 1013 CZ TYR A 67 21.658 -2.275 -6.048 1.00 70.00 C ATOM 1014 OH TYR A 67 22.054 -3.377 -6.740 1.00 1.15 O ATOM 0 H TYR A 67 19.765 3.273 -2.842 1.00 2.54 H new ATOM 0 HA TYR A 67 21.390 2.790 -5.023 1.00 70.14 H new ATOM 0 HB2 TYR A 67 21.066 1.354 -3.001 1.00 71.01 H new ATOM 0 HB3 TYR A 67 19.403 1.045 -3.460 1.00 71.01 H new ATOM 0 HD1 TYR A 67 22.932 0.371 -4.364 1.00 25.24 H new ATOM 0 HD2 TYR A 67 18.855 -0.659 -5.058 1.00 73.53 H new ATOM 0 HE1 TYR A 67 23.662 -1.683 -5.655 1.00 12.44 H new ATOM 0 HE2 TYR A 67 19.599 -2.710 -6.343 1.00 50.13 H new ATOM 0 HH TYR A 67 21.366 -4.071 -6.672 1.00 1.15 H new ATOM 1024 N LEU A 68 18.222 2.290 -5.708 1.00 3.24 N ATOM 1025 CA LEU A 68 17.279 2.097 -6.797 1.00 35.25 C ATOM 1026 C LEU A 68 17.418 3.246 -7.797 1.00 53.11 C ATOM 1027 O LEU A 68 17.239 3.054 -8.998 1.00 15.43 O ATOM 1028 CB LEU A 68 15.860 1.924 -6.252 1.00 63.11 C ATOM 1029 CG LEU A 68 15.477 0.508 -5.815 1.00 65.23 C ATOM 1030 CD1 LEU A 68 14.139 0.506 -5.073 1.00 12.31 C ATOM 1031 CD2 LEU A 68 15.473 -0.451 -7.007 1.00 71.44 C ATOM 0 H LEU A 68 17.794 2.424 -4.792 1.00 3.24 H new ATOM 0 HA LEU A 68 17.503 1.177 -7.336 1.00 35.25 H new ATOM 0 HB2 LEU A 68 15.736 2.592 -5.400 1.00 63.11 H new ATOM 0 HB3 LEU A 68 15.156 2.250 -7.018 1.00 63.11 H new ATOM 0 HG LEU A 68 16.233 0.150 -5.116 1.00 65.23 H new ATOM 0 HD11 LEU A 68 13.890 -0.512 -4.774 1.00 12.31 H new ATOM 0 HD12 LEU A 68 14.213 1.137 -4.187 1.00 12.31 H new ATOM 0 HD13 LEU A 68 13.359 0.892 -5.729 1.00 12.31 H new ATOM 0 HD21 LEU A 68 15.198 -1.450 -6.669 1.00 71.44 H new ATOM 0 HD22 LEU A 68 14.752 -0.107 -7.748 1.00 71.44 H new ATOM 0 HD23 LEU A 68 16.467 -0.480 -7.454 1.00 71.44 H new ATOM 1043 N GLU A 69 17.736 4.417 -7.263 1.00 15.25 N ATOM 1044 CA GLU A 69 17.901 5.598 -8.094 1.00 72.12 C ATOM 1045 C GLU A 69 19.184 5.491 -8.920 1.00 22.31 C ATOM 1046 O GLU A 69 19.210 5.880 -10.086 1.00 70.33 O ATOM 1047 CB GLU A 69 17.900 6.870 -7.244 1.00 51.12 C ATOM 1048 CG GLU A 69 18.113 8.110 -8.114 1.00 33.34 C ATOM 1049 CD GLU A 69 17.795 9.388 -7.335 1.00 54.43 C ATOM 1050 OE1 GLU A 69 18.380 9.624 -6.267 1.00 2.44 O ATOM 1051 OE2 GLU A 69 16.907 10.151 -7.876 1.00 3.24 O1- ATOM 0 H GLU A 69 17.884 4.573 -6.266 1.00 15.25 H new ATOM 0 HA GLU A 69 17.056 5.658 -8.779 1.00 72.12 H new ATOM 0 HB2 GLU A 69 16.954 6.954 -6.710 1.00 51.12 H new ATOM 0 HB3 GLU A 69 18.686 6.810 -6.492 1.00 51.12 H new ATOM 0 HG2 GLU A 69 19.145 8.140 -8.464 1.00 33.34 H new ATOM 0 HG3 GLU A 69 17.478 8.052 -8.998 1.00 33.34 H new ATOM 1059 N ASN A 70 20.218 4.961 -8.282 1.00 1.34 N ATOM 1060 CA ASN A 70 21.501 4.798 -8.943 1.00 62.35 C ATOM 1061 C ASN A 70 22.356 3.807 -8.150 1.00 55.43 C ATOM 1062 O ASN A 70 23.182 4.210 -7.333 1.00 45.53 O ATOM 1063 CB ASN A 70 22.258 6.126 -9.012 1.00 44.13 C ATOM 1064 CG ASN A 70 21.621 7.068 -10.035 1.00 34.34 C ATOM 1065 OD1 ASN A 70 21.336 6.699 -11.163 1.00 35.54 O ATOM 1066 ND2 ASN A 70 21.414 8.300 -9.581 1.00 0.54 N ATOM 0 H ASN A 70 20.193 4.639 -7.314 1.00 1.34 H new ATOM 0 HA ASN A 70 21.316 4.436 -9.954 1.00 62.35 H new ATOM 0 HB2 ASN A 70 22.261 6.598 -8.030 1.00 44.13 H new ATOM 0 HB3 ASN A 70 23.298 5.942 -9.280 1.00 44.13 H new ATOM 0 HD21 ASN A 70 20.993 9.003 -10.188 1.00 0.54 H new ATOM 0 HD22 ASN A 70 21.676 8.542 -8.626 1.00 0.54 H new ATOM 1073 N PRO A 71 22.122 2.496 -8.427 1.00 54.04 N ATOM 1074 CA PRO A 71 22.861 1.445 -7.749 1.00 32.44 C ATOM 1075 C PRO A 71 24.288 1.340 -8.291 1.00 41.31 C ATOM 1076 O PRO A 71 25.207 0.973 -7.562 1.00 74.34 O ATOM 1077 CB PRO A 71 22.045 0.182 -7.976 1.00 13.22 C ATOM 1078 CG PRO A 71 21.134 0.481 -9.155 1.00 74.42 C ATOM 1079 CD PRO A 71 21.151 1.982 -9.389 1.00 62.30 C ATOM 0 HA PRO A 71 22.985 1.638 -6.683 1.00 32.44 H new ATOM 0 HB2 PRO A 71 22.693 -0.669 -8.189 1.00 13.22 H new ATOM 0 HB3 PRO A 71 21.465 -0.073 -7.089 1.00 13.22 H new ATOM 0 HG2 PRO A 71 21.476 -0.048 -10.045 1.00 74.42 H new ATOM 0 HG3 PRO A 71 20.120 0.138 -8.950 1.00 74.42 H new ATOM 0 HD2 PRO A 71 21.443 2.220 -10.412 1.00 62.30 H new ATOM 0 HD3 PRO A 71 20.165 2.419 -9.229 1.00 62.30 H new ATOM 1087 N LYS A 72 24.428 1.670 -9.567 1.00 40.44 N ATOM 1088 CA LYS A 72 25.727 1.618 -10.215 1.00 22.32 C ATOM 1089 C LYS A 72 26.743 2.395 -9.375 1.00 63.53 C ATOM 1090 O LYS A 72 27.795 1.865 -9.021 1.00 45.42 O ATOM 1091 CB LYS A 72 25.624 2.105 -11.662 1.00 54.30 C ATOM 1092 CG LYS A 72 26.965 1.964 -12.385 1.00 41.01 C ATOM 1093 CD LYS A 72 26.792 2.126 -13.897 1.00 72.43 C ATOM 1094 CE LYS A 72 26.367 0.808 -14.545 1.00 51.53 C ATOM 1095 NZ LYS A 72 26.265 0.961 -16.013 1.00 51.14 N1+ ATOM 0 H LYS A 72 23.663 1.974 -10.169 1.00 40.44 H new ATOM 0 HA LYS A 72 26.082 0.589 -10.274 1.00 22.32 H new ATOM 0 HB2 LYS A 72 24.861 1.532 -12.189 1.00 54.30 H new ATOM 0 HB3 LYS A 72 25.307 3.148 -11.677 1.00 54.30 H new ATOM 0 HG2 LYS A 72 27.664 2.713 -12.013 1.00 41.01 H new ATOM 0 HG3 LYS A 72 27.399 0.988 -12.167 1.00 41.01 H new ATOM 0 HD2 LYS A 72 26.045 2.893 -14.101 1.00 72.43 H new ATOM 0 HD3 LYS A 72 27.728 2.467 -14.339 1.00 72.43 H new ATOM 0 HE2 LYS A 72 27.089 0.028 -14.304 1.00 51.53 H new ATOM 0 HE3 LYS A 72 25.407 0.489 -14.139 1.00 51.53 H new ATOM 0 HZ1 LYS A 72 25.975 0.057 -16.437 1.00 51.14 H new ATOM 0 HZ2 LYS A 72 25.559 1.691 -16.238 1.00 51.14 H new ATOM 0 HZ3 LYS A 72 27.189 1.243 -16.398 1.00 51.14 H new ATOM 1108 N LYS A 73 26.392 3.638 -9.081 1.00 4.23 N ATOM 1109 CA LYS A 73 27.260 4.493 -8.290 1.00 34.14 C ATOM 1110 C LYS A 73 27.333 3.954 -6.859 1.00 2.10 C ATOM 1111 O LYS A 73 28.394 3.976 -6.238 1.00 35.44 O ATOM 1112 CB LYS A 73 26.800 5.950 -8.375 1.00 1.20 C ATOM 1113 CG LYS A 73 25.762 6.261 -7.295 1.00 32.13 C ATOM 1114 CD LYS A 73 25.144 7.644 -7.510 1.00 55.50 C ATOM 1115 CE LYS A 73 26.177 8.749 -7.277 1.00 5.11 C ATOM 1116 NZ LYS A 73 26.964 8.990 -8.507 1.00 51.34 N1+ ATOM 0 H LYS A 73 25.518 4.074 -9.376 1.00 4.23 H new ATOM 0 HA LYS A 73 28.274 4.479 -8.689 1.00 34.14 H new ATOM 0 HB2 LYS A 73 27.658 6.613 -8.262 1.00 1.20 H new ATOM 0 HB3 LYS A 73 26.375 6.144 -9.360 1.00 1.20 H new ATOM 0 HG2 LYS A 73 24.979 5.503 -7.309 1.00 32.13 H new ATOM 0 HG3 LYS A 73 26.231 6.217 -6.312 1.00 32.13 H new ATOM 0 HD2 LYS A 73 24.751 7.717 -8.524 1.00 55.50 H new ATOM 0 HD3 LYS A 73 24.302 7.779 -6.831 1.00 55.50 H new ATOM 0 HE2 LYS A 73 25.674 9.667 -6.974 1.00 5.11 H new ATOM 0 HE3 LYS A 73 26.843 8.467 -6.462 1.00 5.11 H new ATOM 0 HZ1 LYS A 73 27.950 8.700 -8.350 1.00 51.34 H new ATOM 0 HZ2 LYS A 73 26.561 8.438 -9.291 1.00 51.34 H new ATOM 0 HZ3 LYS A 73 26.934 10.002 -8.745 1.00 51.34 H new ATOM 1129 N TYR A 74 26.191 3.483 -6.380 1.00 21.02 N ATOM 1130 CA TYR A 74 26.113 2.940 -5.034 1.00 11.41 C ATOM 1131 C TYR A 74 27.176 1.861 -4.816 1.00 42.23 C ATOM 1132 O TYR A 74 27.679 1.697 -3.705 1.00 73.43 O ATOM 1133 CB TYR A 74 24.726 2.303 -4.917 1.00 34.24 C ATOM 1134 CG TYR A 74 24.172 2.278 -3.491 1.00 13.51 C ATOM 1135 CD1 TYR A 74 24.644 1.351 -2.584 1.00 55.13 C ATOM 1136 CD2 TYR A 74 23.199 3.181 -3.113 1.00 0.20 C ATOM 1137 CE1 TYR A 74 24.122 1.327 -1.242 1.00 30.14 C ATOM 1138 CE2 TYR A 74 22.678 3.156 -1.771 1.00 65.02 C ATOM 1139 CZ TYR A 74 23.165 2.231 -0.902 1.00 60.53 C ATOM 1140 OH TYR A 74 22.672 2.208 0.366 1.00 63.13 O ATOM 0 H TYR A 74 25.313 3.466 -6.899 1.00 21.02 H new ATOM 0 HA TYR A 74 26.278 3.723 -4.294 1.00 11.41 H new ATOM 0 HB2 TYR A 74 24.032 2.848 -5.556 1.00 34.24 H new ATOM 0 HB3 TYR A 74 24.773 1.282 -5.296 1.00 34.24 H new ATOM 0 HD1 TYR A 74 25.405 0.644 -2.881 1.00 55.13 H new ATOM 0 HD2 TYR A 74 22.829 3.906 -3.823 1.00 0.20 H new ATOM 0 HE1 TYR A 74 24.483 0.607 -0.522 1.00 30.14 H new ATOM 0 HE2 TYR A 74 21.917 3.857 -1.461 1.00 65.02 H new ATOM 0 HH TYR A 74 22.184 3.040 0.543 1.00 63.13 H new ATOM 1150 N ILE A 75 27.486 1.154 -5.892 1.00 35.22 N ATOM 1151 CA ILE A 75 28.480 0.096 -5.832 1.00 2.31 C ATOM 1152 C ILE A 75 29.225 0.025 -7.167 1.00 30.40 C ATOM 1153 O ILE A 75 28.814 -0.697 -8.074 1.00 3.45 O ATOM 1154 CB ILE A 75 27.830 -1.226 -5.420 1.00 64.10 C ATOM 1155 CG1 ILE A 75 26.729 -0.996 -4.383 1.00 71.04 C ATOM 1156 CG2 ILE A 75 28.881 -2.223 -4.927 1.00 52.55 C ATOM 1157 CD1 ILE A 75 26.128 -2.324 -3.917 1.00 1.01 C ATOM 0 H ILE A 75 27.066 1.293 -6.811 1.00 35.22 H new ATOM 0 HA ILE A 75 29.222 0.314 -5.064 1.00 2.31 H new ATOM 0 HB ILE A 75 27.358 -1.663 -6.300 1.00 64.10 H new ATOM 0 HG12 ILE A 75 27.137 -0.457 -3.528 1.00 71.04 H new ATOM 0 HG13 ILE A 75 25.947 -0.369 -4.811 1.00 71.04 H new ATOM 0 HG21 ILE A 75 28.393 -3.154 -4.640 1.00 52.55 H new ATOM 0 HG22 ILE A 75 29.598 -2.420 -5.724 1.00 52.55 H new ATOM 0 HG23 ILE A 75 29.402 -1.806 -4.065 1.00 52.55 H new ATOM 0 HD11 ILE A 75 25.348 -2.132 -3.180 1.00 1.01 H new ATOM 0 HD12 ILE A 75 25.699 -2.849 -4.771 1.00 1.01 H new ATOM 0 HD13 ILE A 75 26.908 -2.939 -3.468 1.00 1.01 H new ATOM 1169 N PRO A 76 30.336 0.806 -7.247 1.00 75.43 N ATOM 1170 CA PRO A 76 31.142 0.839 -8.455 1.00 60.41 C ATOM 1171 C PRO A 76 31.983 -0.433 -8.588 1.00 71.21 C ATOM 1172 O PRO A 76 32.462 -0.971 -7.592 1.00 23.43 O ATOM 1173 CB PRO A 76 31.984 2.098 -8.333 1.00 52.32 C ATOM 1174 CG PRO A 76 31.960 2.473 -6.860 1.00 32.44 C ATOM 1175 CD PRO A 76 30.852 1.674 -6.193 1.00 2.31 C ATOM 0 HA PRO A 76 30.539 0.867 -9.362 1.00 60.41 H new ATOM 0 HB2 PRO A 76 33.004 1.921 -8.674 1.00 52.32 H new ATOM 0 HB3 PRO A 76 31.577 2.901 -8.947 1.00 52.32 H new ATOM 0 HG2 PRO A 76 32.921 2.254 -6.395 1.00 32.44 H new ATOM 0 HG3 PRO A 76 31.784 3.542 -6.741 1.00 32.44 H new ATOM 0 HD2 PRO A 76 31.233 1.093 -5.353 1.00 2.31 H new ATOM 0 HD3 PRO A 76 30.073 2.328 -5.801 1.00 2.31 H new ATOM 1183 N GLY A 77 32.136 -0.875 -9.828 1.00 41.14 N ATOM 1184 CA GLY A 77 32.911 -2.073 -10.104 1.00 61.20 C ATOM 1185 C GLY A 77 32.139 -3.331 -9.702 1.00 2.42 C ATOM 1186 O GLY A 77 32.736 -4.374 -9.441 1.00 31.14 O ATOM 0 H GLY A 77 31.737 -0.425 -10.652 1.00 41.14 H new ATOM 0 HA2 GLY A 77 33.155 -2.116 -11.165 1.00 61.20 H new ATOM 0 HA3 GLY A 77 33.855 -2.033 -9.561 1.00 61.20 H new ATOM 1190 N THR A 78 30.822 -3.191 -9.665 1.00 45.32 N ATOM 1191 CA THR A 78 29.961 -4.303 -9.300 1.00 52.32 C ATOM 1192 C THR A 78 29.673 -5.179 -10.521 1.00 15.00 C ATOM 1193 O THR A 78 30.156 -4.899 -11.618 1.00 74.51 O ATOM 1194 CB THR A 78 28.699 -3.731 -8.651 1.00 44.04 C ATOM 1195 OG1 THR A 78 28.121 -4.844 -7.975 1.00 51.42 O ATOM 1196 CG2 THR A 78 27.641 -3.331 -9.681 1.00 71.52 C ATOM 0 H THR A 78 30.330 -2.324 -9.882 1.00 45.32 H new ATOM 0 HA THR A 78 30.447 -4.958 -8.577 1.00 52.32 H new ATOM 0 HB THR A 78 28.964 -2.864 -8.046 1.00 44.04 H new ATOM 0 HG1 THR A 78 27.239 -4.594 -7.629 1.00 51.42 H new ATOM 0 HG21 THR A 78 26.766 -2.931 -9.168 1.00 71.52 H new ATOM 0 HG22 THR A 78 28.050 -2.571 -10.346 1.00 71.52 H new ATOM 0 HG23 THR A 78 27.352 -4.205 -10.264 1.00 71.52 H new ATOM 1204 N LYS A 79 28.887 -6.220 -10.291 1.00 35.35 N ATOM 1205 CA LYS A 79 28.529 -7.138 -11.359 1.00 23.13 C ATOM 1206 C LYS A 79 27.113 -6.820 -11.845 1.00 32.14 C ATOM 1207 O LYS A 79 26.785 -7.055 -13.007 1.00 61.34 O ATOM 1208 CB LYS A 79 28.712 -8.587 -10.904 1.00 4.04 C ATOM 1209 CG LYS A 79 29.868 -8.707 -9.908 1.00 33.42 C ATOM 1210 CD LYS A 79 30.509 -10.094 -9.977 1.00 24.30 C ATOM 1211 CE LYS A 79 29.723 -11.104 -9.138 1.00 10.21 C ATOM 1212 NZ LYS A 79 28.554 -11.607 -9.895 1.00 45.34 N1+ ATOM 0 H LYS A 79 28.488 -6.448 -9.381 1.00 35.35 H new ATOM 0 HA LYS A 79 29.196 -7.010 -12.212 1.00 23.13 H new ATOM 0 HB2 LYS A 79 27.792 -8.946 -10.444 1.00 4.04 H new ATOM 0 HB3 LYS A 79 28.905 -9.222 -11.769 1.00 4.04 H new ATOM 0 HG2 LYS A 79 30.618 -7.945 -10.122 1.00 33.42 H new ATOM 0 HG3 LYS A 79 29.503 -8.521 -8.898 1.00 33.42 H new ATOM 0 HD2 LYS A 79 30.548 -10.429 -11.013 1.00 24.30 H new ATOM 0 HD3 LYS A 79 31.537 -10.041 -9.620 1.00 24.30 H new ATOM 0 HE2 LYS A 79 30.369 -11.936 -8.860 1.00 10.21 H new ATOM 0 HE3 LYS A 79 29.390 -10.636 -8.212 1.00 10.21 H new ATOM 0 HZ1 LYS A 79 28.275 -12.538 -9.525 1.00 45.34 H new ATOM 0 HZ2 LYS A 79 27.761 -10.942 -9.791 1.00 45.34 H new ATOM 0 HZ3 LYS A 79 28.803 -11.694 -10.901 1.00 45.34 H new ATOM 1225 N MET A 80 26.313 -6.292 -10.931 1.00 75.05 N ATOM 1226 CA MET A 80 24.940 -5.940 -11.252 1.00 44.10 C ATOM 1227 C MET A 80 24.890 -4.843 -12.318 1.00 15.21 C ATOM 1228 O MET A 80 25.598 -3.843 -12.217 1.00 11.50 O ATOM 1229 CB MET A 80 24.228 -5.457 -9.987 1.00 41.23 C ATOM 1230 CG MET A 80 22.789 -5.037 -10.295 1.00 12.33 C ATOM 1231 SD MET A 80 21.749 -5.335 -8.874 1.00 55.50 S ATOM 1232 CE MET A 80 20.503 -4.084 -9.134 1.00 4.13 C ATOM 0 H MET A 80 26.589 -6.099 -9.968 1.00 75.05 H new ATOM 0 HA MET A 80 24.440 -6.825 -11.645 1.00 44.10 H new ATOM 0 HB2 MET A 80 24.227 -6.251 -9.240 1.00 41.23 H new ATOM 0 HB3 MET A 80 24.772 -4.616 -9.558 1.00 41.23 H new ATOM 0 HG2 MET A 80 22.759 -3.981 -10.563 1.00 12.33 H new ATOM 0 HG3 MET A 80 22.414 -5.594 -11.154 1.00 12.33 H new ATOM 0 HE1 MET A 80 19.850 -4.034 -8.263 1.00 4.13 H new ATOM 0 HE2 MET A 80 20.984 -3.117 -9.283 1.00 4.13 H new ATOM 0 HE3 MET A 80 19.913 -4.336 -10.015 1.00 4.13 H new ATOM 1242 N ILE A 81 24.046 -5.068 -13.314 1.00 73.13 N ATOM 1243 CA ILE A 81 23.894 -4.111 -14.397 1.00 63.41 C ATOM 1244 C ILE A 81 22.498 -3.488 -14.329 1.00 63.43 C ATOM 1245 O ILE A 81 21.498 -4.202 -14.259 1.00 21.32 O ATOM 1246 CB ILE A 81 24.208 -4.770 -15.741 1.00 65.11 C ATOM 1247 CG1 ILE A 81 25.719 -4.856 -15.969 1.00 3.45 C ATOM 1248 CG2 ILE A 81 23.496 -4.047 -16.886 1.00 43.10 C ATOM 1249 CD1 ILE A 81 26.033 -5.485 -17.328 1.00 64.30 C ATOM 0 H ILE A 81 23.460 -5.899 -13.394 1.00 73.13 H new ATOM 0 HA ILE A 81 24.612 -3.298 -14.291 1.00 63.41 H new ATOM 0 HB ILE A 81 23.827 -5.791 -15.719 1.00 65.11 H new ATOM 0 HG12 ILE A 81 26.156 -3.859 -15.916 1.00 3.45 H new ATOM 0 HG13 ILE A 81 26.177 -5.447 -15.176 1.00 3.45 H new ATOM 0 HG21 ILE A 81 23.736 -4.536 -17.830 1.00 43.10 H new ATOM 0 HG22 ILE A 81 22.419 -4.081 -16.724 1.00 43.10 H new ATOM 0 HG23 ILE A 81 23.825 -3.008 -16.921 1.00 43.10 H new ATOM 0 HD11 ILE A 81 27.113 -5.534 -17.465 1.00 64.30 H new ATOM 0 HD12 ILE A 81 25.616 -6.491 -17.368 1.00 64.30 H new ATOM 0 HD13 ILE A 81 25.594 -4.878 -18.120 1.00 64.30 H new ATOM 1261 N PHE A 82 22.474 -2.164 -14.352 1.00 51.30 N ATOM 1262 CA PHE A 82 21.218 -1.436 -14.294 1.00 2.04 C ATOM 1263 C PHE A 82 21.404 0.016 -14.738 1.00 11.53 C ATOM 1264 O PHE A 82 22.506 0.556 -14.660 1.00 33.35 O ATOM 1265 CB PHE A 82 20.757 -1.456 -12.835 1.00 11.41 C ATOM 1266 CG PHE A 82 19.288 -1.072 -12.641 1.00 52.20 C ATOM 1267 CD1 PHE A 82 18.324 -1.672 -13.391 1.00 24.33 C ATOM 1268 CD2 PHE A 82 18.947 -0.132 -11.720 1.00 64.53 C ATOM 1269 CE1 PHE A 82 16.962 -1.316 -13.211 1.00 21.13 C ATOM 1270 CE2 PHE A 82 17.584 0.224 -11.540 1.00 62.32 C ATOM 1271 CZ PHE A 82 16.620 -0.375 -12.290 1.00 52.30 C ATOM 0 H PHE A 82 23.305 -1.576 -14.410 1.00 51.30 H new ATOM 0 HA PHE A 82 20.488 -1.900 -14.958 1.00 2.04 H new ATOM 0 HB2 PHE A 82 20.918 -2.454 -12.428 1.00 11.41 H new ATOM 0 HB3 PHE A 82 21.380 -0.772 -12.258 1.00 11.41 H new ATOM 0 HD1 PHE A 82 18.595 -2.419 -14.123 1.00 24.33 H new ATOM 0 HD2 PHE A 82 19.713 0.344 -11.125 1.00 64.53 H new ATOM 0 HE1 PHE A 82 16.197 -1.792 -13.806 1.00 21.13 H new ATOM 0 HE2 PHE A 82 17.313 0.970 -10.808 1.00 62.32 H new ATOM 0 HZ PHE A 82 15.584 -0.104 -12.154 1.00 52.30 H new ATOM 1281 N VAL A 83 20.309 0.607 -15.194 1.00 11.14 N ATOM 1282 CA VAL A 83 20.338 1.986 -15.650 1.00 50.45 C ATOM 1283 C VAL A 83 19.832 2.899 -14.532 1.00 64.23 C ATOM 1284 O VAL A 83 20.318 4.018 -14.371 1.00 22.41 O ATOM 1285 CB VAL A 83 19.535 2.125 -16.945 1.00 72.20 C ATOM 1286 CG1 VAL A 83 20.146 1.278 -18.063 1.00 12.30 C ATOM 1287 CG2 VAL A 83 18.066 1.760 -16.721 1.00 22.20 C ATOM 0 H VAL A 83 19.396 0.156 -15.257 1.00 11.14 H new ATOM 0 HA VAL A 83 21.359 2.291 -15.881 1.00 50.45 H new ATOM 0 HB VAL A 83 19.577 3.169 -17.255 1.00 72.20 H new ATOM 0 HG11 VAL A 83 19.556 1.395 -18.972 1.00 12.30 H new ATOM 0 HG12 VAL A 83 21.169 1.605 -18.250 1.00 12.30 H new ATOM 0 HG13 VAL A 83 20.149 0.230 -17.765 1.00 12.30 H new ATOM 0 HG21 VAL A 83 17.518 1.867 -17.657 1.00 22.20 H new ATOM 0 HG22 VAL A 83 17.996 0.729 -16.376 1.00 22.20 H new ATOM 0 HG23 VAL A 83 17.636 2.424 -15.971 1.00 22.20 H new ATOM 1297 N GLY A 84 18.863 2.389 -13.787 1.00 42.12 N ATOM 1298 CA GLY A 84 18.286 3.145 -12.688 1.00 22.32 C ATOM 1299 C GLY A 84 16.796 3.402 -12.922 1.00 4.23 C ATOM 1300 O GLY A 84 16.255 3.034 -13.964 1.00 44.21 O ATOM 0 H GLY A 84 18.462 1.461 -13.923 1.00 42.12 H new ATOM 0 HA2 GLY A 84 18.422 2.598 -11.755 1.00 22.32 H new ATOM 0 HA3 GLY A 84 18.810 4.095 -12.581 1.00 22.32 H new ATOM 1304 N ILE A 85 16.175 4.031 -11.936 1.00 0.21 N ATOM 1305 CA ILE A 85 14.758 4.342 -12.021 1.00 22.34 C ATOM 1306 C ILE A 85 14.550 5.833 -11.750 1.00 73.43 C ATOM 1307 O ILE A 85 15.226 6.414 -10.903 1.00 55.21 O ATOM 1308 CB ILE A 85 13.952 3.430 -11.093 1.00 13.11 C ATOM 1309 CG1 ILE A 85 14.364 1.967 -11.270 1.00 31.10 C ATOM 1310 CG2 ILE A 85 12.449 3.631 -11.295 1.00 13.43 C ATOM 1311 CD1 ILE A 85 13.975 1.136 -10.045 1.00 71.13 C ATOM 0 H ILE A 85 16.627 4.334 -11.073 1.00 0.21 H new ATOM 0 HA ILE A 85 14.385 4.145 -13.026 1.00 22.34 H new ATOM 0 HB ILE A 85 14.177 3.706 -10.063 1.00 13.11 H new ATOM 0 HG12 ILE A 85 13.886 1.556 -12.159 1.00 31.10 H new ATOM 0 HG13 ILE A 85 15.441 1.905 -11.429 1.00 31.10 H new ATOM 0 HG21 ILE A 85 11.900 2.971 -10.623 1.00 13.43 H new ATOM 0 HG22 ILE A 85 12.188 4.667 -11.079 1.00 13.43 H new ATOM 0 HG23 ILE A 85 12.186 3.399 -12.327 1.00 13.43 H new ATOM 0 HD11 ILE A 85 14.279 0.100 -10.197 1.00 71.13 H new ATOM 0 HD12 ILE A 85 14.473 1.535 -9.162 1.00 71.13 H new ATOM 0 HD13 ILE A 85 12.895 1.180 -9.903 1.00 71.13 H new ATOM 1323 N LYS A 86 13.611 6.410 -12.486 1.00 70.13 N ATOM 1324 CA LYS A 86 13.305 7.823 -12.335 1.00 52.41 C ATOM 1325 C LYS A 86 12.198 7.993 -11.293 1.00 72.24 C ATOM 1326 O LYS A 86 12.436 8.529 -10.212 1.00 12.14 O ATOM 1327 CB LYS A 86 12.972 8.446 -13.692 1.00 14.22 C ATOM 1328 CG LYS A 86 12.673 9.940 -13.551 1.00 24.43 C ATOM 1329 CD LYS A 86 11.970 10.479 -14.798 1.00 71.23 C ATOM 1330 CE LYS A 86 12.985 10.978 -15.827 1.00 51.35 C ATOM 1331 NZ LYS A 86 12.313 11.789 -16.867 1.00 32.04 N1+ ATOM 0 H LYS A 86 13.052 5.925 -13.188 1.00 70.13 H new ATOM 0 HA LYS A 86 14.176 8.364 -11.966 1.00 52.41 H new ATOM 0 HB2 LYS A 86 13.807 8.302 -14.377 1.00 14.22 H new ATOM 0 HB3 LYS A 86 12.111 7.939 -14.128 1.00 14.22 H new ATOM 0 HG2 LYS A 86 12.047 10.108 -12.675 1.00 24.43 H new ATOM 0 HG3 LYS A 86 13.602 10.487 -13.388 1.00 24.43 H new ATOM 0 HD2 LYS A 86 11.354 9.696 -15.240 1.00 71.23 H new ATOM 0 HD3 LYS A 86 11.300 11.292 -14.519 1.00 71.23 H new ATOM 0 HE2 LYS A 86 13.751 11.574 -15.331 1.00 51.35 H new ATOM 0 HE3 LYS A 86 13.490 10.130 -16.289 1.00 51.35 H new ATOM 0 HZ1 LYS A 86 13.017 12.120 -17.558 1.00 32.04 H new ATOM 0 HZ2 LYS A 86 11.598 11.209 -17.351 1.00 32.04 H new ATOM 0 HZ3 LYS A 86 11.851 12.609 -16.424 1.00 32.04 H new ATOM 1344 N LYS A 87 11.012 7.525 -11.654 1.00 51.43 N ATOM 1345 CA LYS A 87 9.868 7.618 -10.763 1.00 71.11 C ATOM 1346 C LYS A 87 10.242 7.038 -9.397 1.00 30.25 C ATOM 1347 O LYS A 87 10.825 5.958 -9.316 1.00 52.34 O ATOM 1348 CB LYS A 87 8.641 6.959 -11.396 1.00 51.42 C ATOM 1349 CG LYS A 87 8.057 7.838 -12.504 1.00 42.12 C ATOM 1350 CD LYS A 87 7.232 8.985 -11.918 1.00 3.45 C ATOM 1351 CE LYS A 87 6.653 9.867 -13.026 1.00 15.15 C ATOM 1352 NZ LYS A 87 7.688 10.786 -13.550 1.00 2.13 N1+ ATOM 0 H LYS A 87 10.819 7.080 -12.551 1.00 51.43 H new ATOM 0 HA LYS A 87 9.594 8.661 -10.603 1.00 71.11 H new ATOM 0 HB2 LYS A 87 8.916 5.987 -11.805 1.00 51.42 H new ATOM 0 HB3 LYS A 87 7.885 6.781 -10.632 1.00 51.42 H new ATOM 0 HG2 LYS A 87 8.864 8.242 -13.116 1.00 42.12 H new ATOM 0 HG3 LYS A 87 7.431 7.234 -13.160 1.00 42.12 H new ATOM 0 HD2 LYS A 87 6.423 8.581 -11.309 1.00 3.45 H new ATOM 0 HD3 LYS A 87 7.857 9.587 -11.258 1.00 3.45 H new ATOM 0 HE2 LYS A 87 6.270 9.243 -13.833 1.00 15.15 H new ATOM 0 HE3 LYS A 87 5.811 10.441 -12.640 1.00 15.15 H new ATOM 0 HZ1 LYS A 87 7.279 11.378 -14.301 1.00 2.13 H new ATOM 0 HZ2 LYS A 87 8.034 11.394 -12.780 1.00 2.13 H new ATOM 0 HZ3 LYS A 87 8.479 10.233 -13.937 1.00 2.13 H new ATOM 1365 N LYS A 88 9.890 7.781 -8.358 1.00 73.34 N ATOM 1366 CA LYS A 88 10.181 7.354 -7.000 1.00 10.55 C ATOM 1367 C LYS A 88 9.088 6.395 -6.526 1.00 15.32 C ATOM 1368 O LYS A 88 9.315 5.584 -5.630 1.00 51.24 O ATOM 1369 CB LYS A 88 10.374 8.567 -6.087 1.00 73.43 C ATOM 1370 CG LYS A 88 9.028 9.191 -5.714 1.00 35.34 C ATOM 1371 CD LYS A 88 9.223 10.454 -4.873 1.00 1.31 C ATOM 1372 CE LYS A 88 10.068 11.486 -5.623 1.00 44.14 C ATOM 1373 NZ LYS A 88 9.991 12.804 -4.954 1.00 21.31 N1+ ATOM 0 H LYS A 88 9.406 8.676 -8.429 1.00 73.34 H new ATOM 0 HA LYS A 88 11.122 6.806 -6.966 1.00 10.55 H new ATOM 0 HB2 LYS A 88 10.902 8.266 -5.183 1.00 73.43 H new ATOM 0 HB3 LYS A 88 10.996 9.308 -6.588 1.00 73.43 H new ATOM 0 HG2 LYS A 88 8.473 9.435 -6.620 1.00 35.34 H new ATOM 0 HG3 LYS A 88 8.430 8.469 -5.158 1.00 35.34 H new ATOM 0 HD2 LYS A 88 8.252 10.884 -4.625 1.00 1.31 H new ATOM 0 HD3 LYS A 88 9.708 10.197 -3.931 1.00 1.31 H new ATOM 0 HE2 LYS A 88 11.105 11.153 -5.666 1.00 44.14 H new ATOM 0 HE3 LYS A 88 9.718 11.573 -6.652 1.00 44.14 H new ATOM 0 HZ1 LYS A 88 10.570 13.493 -5.476 1.00 21.31 H new ATOM 0 HZ2 LYS A 88 9.002 13.127 -4.935 1.00 21.31 H new ATOM 0 HZ3 LYS A 88 10.346 12.720 -3.980 1.00 21.31 H new ATOM 1386 N GLU A 89 7.926 6.518 -7.150 1.00 4.13 N ATOM 1387 CA GLU A 89 6.797 5.672 -6.804 1.00 30.31 C ATOM 1388 C GLU A 89 7.045 4.237 -7.272 1.00 34.03 C ATOM 1389 O GLU A 89 6.856 3.290 -6.510 1.00 20.11 O ATOM 1390 CB GLU A 89 5.497 6.223 -7.393 1.00 13.22 C ATOM 1391 CG GLU A 89 4.995 7.423 -6.587 1.00 72.24 C ATOM 1392 CD GLU A 89 5.918 8.630 -6.769 1.00 43.14 C ATOM 1393 OE1 GLU A 89 6.677 8.688 -7.747 1.00 43.15 O ATOM 1394 OE2 GLU A 89 5.825 9.530 -5.849 1.00 73.44 O1- ATOM 0 H GLU A 89 7.742 7.191 -7.894 1.00 4.13 H new ATOM 0 HA GLU A 89 6.692 5.667 -5.719 1.00 30.31 H new ATOM 0 HB2 GLU A 89 5.660 6.519 -8.429 1.00 13.22 H new ATOM 0 HB3 GLU A 89 4.737 5.442 -7.400 1.00 13.22 H new ATOM 0 HG2 GLU A 89 3.985 7.682 -6.904 1.00 72.24 H new ATOM 0 HG3 GLU A 89 4.940 7.159 -5.531 1.00 72.24 H new ATOM 1402 N GLU A 90 7.466 4.121 -8.523 1.00 5.05 N ATOM 1403 CA GLU A 90 7.743 2.817 -9.101 1.00 64.24 C ATOM 1404 C GLU A 90 8.780 2.072 -8.259 1.00 42.35 C ATOM 1405 O GLU A 90 8.826 0.843 -8.269 1.00 45.31 O ATOM 1406 CB GLU A 90 8.208 2.949 -10.553 1.00 25.43 C ATOM 1407 CG GLU A 90 7.014 2.989 -11.509 1.00 31.10 C ATOM 1408 CD GLU A 90 6.358 4.371 -11.509 1.00 25.43 C ATOM 1409 OE1 GLU A 90 5.669 4.731 -10.543 1.00 53.11 O ATOM 1410 OE2 GLU A 90 6.586 5.083 -12.561 1.00 24.22 O1- ATOM 0 H GLU A 90 7.622 4.908 -9.152 1.00 5.05 H new ATOM 0 HA GLU A 90 6.820 2.238 -9.100 1.00 64.24 H new ATOM 0 HB2 GLU A 90 8.801 3.856 -10.668 1.00 25.43 H new ATOM 0 HB3 GLU A 90 8.856 2.110 -10.809 1.00 25.43 H new ATOM 0 HG2 GLU A 90 7.343 2.738 -12.518 1.00 31.10 H new ATOM 0 HG3 GLU A 90 6.283 2.236 -11.215 1.00 31.10 H new ATOM 1418 N ARG A 91 9.588 2.847 -7.550 1.00 31.35 N ATOM 1419 CA ARG A 91 10.622 2.276 -6.704 1.00 20.15 C ATOM 1420 C ARG A 91 10.027 1.828 -5.368 1.00 3.32 C ATOM 1421 O ARG A 91 10.426 0.802 -4.820 1.00 1.04 O ATOM 1422 CB ARG A 91 11.741 3.287 -6.443 1.00 14.11 C ATOM 1423 CG ARG A 91 12.604 3.483 -7.691 1.00 42.25 C ATOM 1424 CD ARG A 91 13.698 4.524 -7.442 1.00 41.32 C ATOM 1425 NE ARG A 91 13.196 5.875 -7.777 1.00 5.33 N ATOM 1426 CZ ARG A 91 13.675 7.016 -7.238 1.00 1.11 C ATOM 1427 NH1 ARG A 91 14.675 6.978 -6.331 1.00 41.21 N ATOM 1428 NH2 ARG A 91 13.152 8.169 -7.610 1.00 32.24 N1+ ATOM 0 H ARG A 91 9.547 3.866 -7.544 1.00 31.35 H new ATOM 0 HA ARG A 91 11.040 1.415 -7.226 1.00 20.15 H new ATOM 0 HB2 ARG A 91 11.310 4.242 -6.141 1.00 14.11 H new ATOM 0 HB3 ARG A 91 12.363 2.942 -5.617 1.00 14.11 H new ATOM 0 HG2 ARG A 91 13.058 2.534 -7.977 1.00 42.25 H new ATOM 0 HG3 ARG A 91 11.978 3.800 -8.525 1.00 42.25 H new ATOM 0 HD2 ARG A 91 14.011 4.492 -6.399 1.00 41.32 H new ATOM 0 HD3 ARG A 91 14.576 4.293 -8.046 1.00 41.32 H new ATOM 0 HE ARG A 91 12.440 5.949 -8.458 1.00 5.33 H new ATOM 0 HH11 ARG A 91 15.074 6.083 -6.049 1.00 41.21 H new ATOM 0 HH12 ARG A 91 15.031 7.845 -5.928 1.00 41.21 H new ATOM 0 HH21 ARG A 91 12.397 8.189 -8.295 1.00 32.24 H new ATOM 0 HH22 ARG A 91 13.503 9.040 -7.212 1.00 32.24 H new ATOM 1441 N ALA A 92 9.081 2.619 -4.883 1.00 43.14 N ATOM 1442 CA ALA A 92 8.427 2.317 -3.621 1.00 61.50 C ATOM 1443 C ALA A 92 7.739 0.954 -3.722 1.00 12.24 C ATOM 1444 O ALA A 92 8.044 0.042 -2.956 1.00 11.23 O ATOM 1445 CB ALA A 92 7.449 3.440 -3.271 1.00 62.14 C ATOM 0 H ALA A 92 8.752 3.469 -5.341 1.00 43.14 H new ATOM 0 HA ALA A 92 9.158 2.258 -2.814 1.00 61.50 H new ATOM 0 HB1 ALA A 92 6.958 3.213 -2.324 1.00 62.14 H new ATOM 0 HB2 ALA A 92 7.992 4.381 -3.182 1.00 62.14 H new ATOM 0 HB3 ALA A 92 6.699 3.527 -4.057 1.00 62.14 H new ATOM 1451 N ASP A 93 6.822 0.859 -4.675 1.00 75.33 N ATOM 1452 CA ASP A 93 6.088 -0.377 -4.886 1.00 73.40 C ATOM 1453 C ASP A 93 7.078 -1.527 -5.079 1.00 31.00 C ATOM 1454 O ASP A 93 6.803 -2.660 -4.687 1.00 62.34 O ATOM 1455 CB ASP A 93 5.214 -0.290 -6.139 1.00 62.14 C ATOM 1456 CG ASP A 93 4.059 0.710 -6.054 1.00 74.20 C ATOM 1457 OD1 ASP A 93 2.974 0.391 -5.547 1.00 71.11 O ATOM 1458 OD2 ASP A 93 4.312 1.877 -6.543 1.00 64.24 O1- ATOM 0 H ASP A 93 6.571 1.618 -5.309 1.00 75.33 H new ATOM 0 HA ASP A 93 5.455 -0.547 -4.015 1.00 73.40 H new ATOM 0 HB2 ASP A 93 5.845 -0.022 -6.986 1.00 62.14 H new ATOM 0 HB3 ASP A 93 4.804 -1.278 -6.347 1.00 62.14 H new ATOM 1464 N LEU A 94 8.210 -1.196 -5.682 1.00 12.24 N ATOM 1465 CA LEU A 94 9.243 -2.187 -5.931 1.00 1.33 C ATOM 1466 C LEU A 94 9.780 -2.705 -4.596 1.00 21.32 C ATOM 1467 O LEU A 94 9.989 -3.906 -4.431 1.00 4.12 O ATOM 1468 CB LEU A 94 10.326 -1.613 -6.848 1.00 1.22 C ATOM 1469 CG LEU A 94 11.450 -2.574 -7.241 1.00 64.13 C ATOM 1470 CD1 LEU A 94 12.582 -2.544 -6.212 1.00 14.55 C ATOM 1471 CD2 LEU A 94 10.910 -3.989 -7.459 1.00 54.24 C ATOM 0 H LEU A 94 8.435 -0.255 -6.006 1.00 12.24 H new ATOM 0 HA LEU A 94 8.828 -3.044 -6.462 1.00 1.33 H new ATOM 0 HB2 LEU A 94 9.849 -1.251 -7.759 1.00 1.22 H new ATOM 0 HB3 LEU A 94 10.770 -0.748 -6.356 1.00 1.22 H new ATOM 0 HG LEU A 94 11.869 -2.240 -8.190 1.00 64.13 H new ATOM 0 HD11 LEU A 94 13.368 -3.236 -6.515 1.00 14.55 H new ATOM 0 HD12 LEU A 94 12.991 -1.535 -6.150 1.00 14.55 H new ATOM 0 HD13 LEU A 94 12.195 -2.839 -5.237 1.00 14.55 H new ATOM 0 HD21 LEU A 94 11.729 -4.652 -7.737 1.00 54.24 H new ATOM 0 HD22 LEU A 94 10.449 -4.348 -6.539 1.00 54.24 H new ATOM 0 HD23 LEU A 94 10.167 -3.976 -8.256 1.00 54.24 H new ATOM 1483 N ILE A 95 9.987 -1.774 -3.676 1.00 21.15 N ATOM 1484 CA ILE A 95 10.495 -2.122 -2.360 1.00 63.21 C ATOM 1485 C ILE A 95 9.335 -2.580 -1.475 1.00 63.41 C ATOM 1486 O ILE A 95 9.550 -3.190 -0.429 1.00 23.11 O ATOM 1487 CB ILE A 95 11.297 -0.960 -1.771 1.00 43.12 C ATOM 1488 CG1 ILE A 95 12.350 -0.462 -2.763 1.00 32.14 C ATOM 1489 CG2 ILE A 95 11.915 -1.346 -0.425 1.00 73.02 C ATOM 1490 CD1 ILE A 95 12.788 0.966 -2.427 1.00 73.24 C ATOM 0 H ILE A 95 9.812 -0.779 -3.816 1.00 21.15 H new ATOM 0 HA ILE A 95 11.192 -2.957 -2.429 1.00 63.21 H new ATOM 0 HB ILE A 95 10.612 -0.132 -1.585 1.00 43.12 H new ATOM 0 HG12 ILE A 95 13.215 -1.125 -2.745 1.00 32.14 H new ATOM 0 HG13 ILE A 95 11.946 -0.494 -3.775 1.00 32.14 H new ATOM 0 HG21 ILE A 95 12.480 -0.502 -0.028 1.00 73.02 H new ATOM 0 HG22 ILE A 95 11.124 -1.614 0.275 1.00 73.02 H new ATOM 0 HG23 ILE A 95 12.582 -2.197 -0.562 1.00 73.02 H new ATOM 0 HD11 ILE A 95 13.537 1.296 -3.147 1.00 73.24 H new ATOM 0 HD12 ILE A 95 11.925 1.631 -2.470 1.00 73.24 H new ATOM 0 HD13 ILE A 95 13.214 0.989 -1.424 1.00 73.24 H new ATOM 1502 N ALA A 96 8.129 -2.268 -1.927 1.00 32.22 N ATOM 1503 CA ALA A 96 6.934 -2.639 -1.189 1.00 61.14 C ATOM 1504 C ALA A 96 6.648 -4.127 -1.405 1.00 33.13 C ATOM 1505 O ALA A 96 6.002 -4.765 -0.576 1.00 22.11 O ATOM 1506 CB ALA A 96 5.767 -1.752 -1.626 1.00 55.41 C ATOM 0 H ALA A 96 7.954 -1.762 -2.795 1.00 32.22 H new ATOM 0 HA ALA A 96 7.079 -2.482 -0.120 1.00 61.14 H new ATOM 0 HB1 ALA A 96 4.871 -2.031 -1.072 1.00 55.41 H new ATOM 0 HB2 ALA A 96 6.008 -0.708 -1.425 1.00 55.41 H new ATOM 0 HB3 ALA A 96 5.589 -1.884 -2.693 1.00 55.41 H new ATOM 1512 N TYR A 97 7.143 -4.635 -2.524 1.00 60.33 N ATOM 1513 CA TYR A 97 6.948 -6.035 -2.860 1.00 13.11 C ATOM 1514 C TYR A 97 8.156 -6.874 -2.435 1.00 22.34 C ATOM 1515 O TYR A 97 7.999 -7.924 -1.814 1.00 64.42 O ATOM 1516 CB TYR A 97 6.816 -6.089 -4.383 1.00 3.14 C ATOM 1517 CG TYR A 97 7.062 -7.476 -4.981 1.00 15.05 C ATOM 1518 CD1 TYR A 97 6.454 -8.584 -4.426 1.00 21.51 C ATOM 1519 CD2 TYR A 97 7.891 -7.619 -6.075 1.00 74.52 C ATOM 1520 CE1 TYR A 97 6.685 -9.889 -4.989 1.00 54.24 C ATOM 1521 CE2 TYR A 97 8.123 -8.924 -6.637 1.00 1.23 C ATOM 1522 CZ TYR A 97 7.508 -9.995 -6.066 1.00 73.54 C ATOM 1523 OH TYR A 97 7.727 -11.227 -6.598 1.00 60.45 O ATOM 0 H TYR A 97 7.679 -4.102 -3.209 1.00 60.33 H new ATOM 0 HA TYR A 97 6.071 -6.433 -2.350 1.00 13.11 H new ATOM 0 HB2 TYR A 97 5.816 -5.756 -4.663 1.00 3.14 H new ATOM 0 HB3 TYR A 97 7.521 -5.384 -4.824 1.00 3.14 H new ATOM 0 HD1 TYR A 97 5.805 -8.472 -3.570 1.00 21.51 H new ATOM 0 HD2 TYR A 97 8.366 -6.752 -6.510 1.00 74.52 H new ATOM 0 HE1 TYR A 97 6.215 -10.764 -4.565 1.00 54.24 H new ATOM 0 HE2 TYR A 97 8.770 -9.050 -7.492 1.00 1.23 H new ATOM 0 HH TYR A 97 8.334 -11.150 -7.363 1.00 60.45 H new ATOM 1533 N LEU A 98 9.333 -6.379 -2.787 1.00 52.20 N ATOM 1534 CA LEU A 98 10.566 -7.069 -2.450 1.00 32.23 C ATOM 1535 C LEU A 98 10.592 -7.354 -0.947 1.00 0.11 C ATOM 1536 O LEU A 98 11.201 -8.327 -0.506 1.00 31.23 O ATOM 1537 CB LEU A 98 11.777 -6.276 -2.946 1.00 12.22 C ATOM 1538 CG LEU A 98 12.108 -6.419 -4.433 1.00 61.35 C ATOM 1539 CD1 LEU A 98 13.328 -5.574 -4.806 1.00 55.52 C ATOM 1540 CD2 LEU A 98 12.290 -7.889 -4.816 1.00 14.05 C ATOM 0 H LEU A 98 9.459 -5.508 -3.302 1.00 52.20 H new ATOM 0 HA LEU A 98 10.614 -8.032 -2.959 1.00 32.23 H new ATOM 0 HB2 LEU A 98 11.608 -5.221 -2.731 1.00 12.22 H new ATOM 0 HB3 LEU A 98 12.649 -6.583 -2.369 1.00 12.22 H new ATOM 0 HG LEU A 98 11.264 -6.039 -5.009 1.00 61.35 H new ATOM 0 HD11 LEU A 98 13.542 -5.693 -5.868 1.00 55.52 H new ATOM 0 HD12 LEU A 98 13.123 -4.525 -4.593 1.00 55.52 H new ATOM 0 HD13 LEU A 98 14.189 -5.901 -4.223 1.00 55.52 H new ATOM 0 HD21 LEU A 98 12.524 -7.962 -5.878 1.00 14.05 H new ATOM 0 HD22 LEU A 98 13.106 -8.318 -4.234 1.00 14.05 H new ATOM 0 HD23 LEU A 98 11.370 -8.435 -4.609 1.00 14.05 H new ATOM 1552 N LYS A 99 9.923 -6.486 -0.201 1.00 42.13 N ATOM 1553 CA LYS A 99 9.861 -6.632 1.243 1.00 65.14 C ATOM 1554 C LYS A 99 8.954 -7.813 1.594 1.00 74.10 C ATOM 1555 O LYS A 99 9.291 -8.626 2.453 1.00 12.40 O ATOM 1556 CB LYS A 99 9.437 -5.316 1.897 1.00 53.10 C ATOM 1557 CG LYS A 99 9.554 -5.397 3.421 1.00 51.40 C ATOM 1558 CD LYS A 99 9.093 -4.094 4.077 1.00 53.31 C ATOM 1559 CE LYS A 99 9.061 -4.229 5.600 1.00 14.20 C ATOM 1560 NZ LYS A 99 8.271 -3.131 6.201 1.00 30.50 N1+ ATOM 0 H LYS A 99 9.419 -5.679 -0.570 1.00 42.13 H new ATOM 0 HA LYS A 99 10.849 -6.858 1.645 1.00 65.14 H new ATOM 0 HB2 LYS A 99 10.060 -4.503 1.524 1.00 53.10 H new ATOM 0 HB3 LYS A 99 8.409 -5.083 1.620 1.00 53.10 H new ATOM 0 HG2 LYS A 99 8.953 -6.227 3.792 1.00 51.40 H new ATOM 0 HG3 LYS A 99 10.588 -5.603 3.699 1.00 51.40 H new ATOM 0 HD2 LYS A 99 9.764 -3.283 3.794 1.00 53.31 H new ATOM 0 HD3 LYS A 99 8.101 -3.829 3.711 1.00 53.31 H new ATOM 0 HE2 LYS A 99 8.628 -5.190 5.877 1.00 14.20 H new ATOM 0 HE3 LYS A 99 10.077 -4.212 5.994 1.00 14.20 H new ATOM 0 HZ1 LYS A 99 8.259 -3.238 7.235 1.00 30.50 H new ATOM 0 HZ2 LYS A 99 8.701 -2.217 5.952 1.00 30.50 H new ATOM 0 HZ3 LYS A 99 7.297 -3.165 5.838 1.00 30.50 H new ATOM 1573 N LYS A 100 7.820 -7.870 0.911 1.00 45.50 N ATOM 1574 CA LYS A 100 6.862 -8.938 1.139 1.00 71.42 C ATOM 1575 C LYS A 100 7.342 -10.208 0.434 1.00 15.31 C ATOM 1576 O LYS A 100 6.847 -11.300 0.709 1.00 13.03 O ATOM 1577 CB LYS A 100 5.458 -8.496 0.722 1.00 23.01 C ATOM 1578 CG LYS A 100 4.398 -9.466 1.250 1.00 62.30 C ATOM 1579 CD LYS A 100 3.094 -9.336 0.460 1.00 21.42 C ATOM 1580 CE LYS A 100 2.285 -8.126 0.931 1.00 4.03 C ATOM 1581 NZ LYS A 100 1.553 -8.446 2.177 1.00 72.11 N1+ ATOM 0 H LYS A 100 7.543 -7.194 0.199 1.00 45.50 H new ATOM 0 HA LYS A 100 6.796 -9.170 2.202 1.00 71.42 H new ATOM 0 HB2 LYS A 100 5.260 -7.494 1.102 1.00 23.01 H new ATOM 0 HB3 LYS A 100 5.398 -8.442 -0.365 1.00 23.01 H new ATOM 0 HG2 LYS A 100 4.769 -10.489 1.181 1.00 62.30 H new ATOM 0 HG3 LYS A 100 4.210 -9.266 2.305 1.00 62.30 H new ATOM 0 HD2 LYS A 100 3.317 -9.238 -0.602 1.00 21.42 H new ATOM 0 HD3 LYS A 100 2.501 -10.243 0.579 1.00 21.42 H new ATOM 0 HE2 LYS A 100 2.951 -7.280 1.100 1.00 4.03 H new ATOM 0 HE3 LYS A 100 1.581 -7.827 0.155 1.00 4.03 H new ATOM 0 HZ1 LYS A 100 1.442 -7.583 2.746 1.00 72.11 H new ATOM 0 HZ2 LYS A 100 0.615 -8.828 1.940 1.00 72.11 H new ATOM 0 HZ3 LYS A 100 2.087 -9.153 2.722 1.00 72.11 H new ATOM 1594 N ALA A 101 8.301 -10.023 -0.461 1.00 64.02 N ATOM 1595 CA ALA A 101 8.854 -11.140 -1.207 1.00 24.13 C ATOM 1596 C ALA A 101 9.975 -11.788 -0.392 1.00 72.45 C ATOM 1597 O ALA A 101 10.112 -13.010 -0.380 1.00 21.11 O ATOM 1598 CB ALA A 101 9.335 -10.652 -2.575 1.00 75.14 C ATOM 0 H ALA A 101 8.709 -9.116 -0.686 1.00 64.02 H new ATOM 0 HA ALA A 101 8.092 -11.900 -1.381 1.00 24.13 H new ATOM 0 HB1 ALA A 101 9.750 -11.490 -3.135 1.00 75.14 H new ATOM 0 HB2 ALA A 101 8.495 -10.228 -3.126 1.00 75.14 H new ATOM 0 HB3 ALA A 101 10.103 -9.890 -2.440 1.00 75.14 H new ATOM 1604 N THR A 102 10.748 -10.940 0.270 1.00 15.34 N ATOM 1605 CA THR A 102 11.852 -11.414 1.086 1.00 4.43 C ATOM 1606 C THR A 102 11.340 -11.915 2.438 1.00 51.23 C ATOM 1607 O THR A 102 11.684 -13.015 2.868 1.00 33.25 O ATOM 1608 CB THR A 102 12.873 -10.281 1.205 1.00 53.10 C ATOM 1609 OG1 THR A 102 12.124 -9.194 1.742 1.00 60.21 O ATOM 1610 CG2 THR A 102 13.344 -9.772 -0.159 1.00 73.13 C ATOM 0 H THR A 102 10.631 -9.927 0.258 1.00 15.34 H new ATOM 0 HA THR A 102 12.346 -12.269 0.624 1.00 4.43 H new ATOM 0 HB THR A 102 13.732 -10.625 1.780 1.00 53.10 H new ATOM 0 HG1 THR A 102 11.890 -8.571 1.023 1.00 60.21 H new ATOM 0 HG21 THR A 102 14.067 -8.969 -0.018 1.00 73.13 H new ATOM 0 HG22 THR A 102 13.811 -10.588 -0.710 1.00 73.13 H new ATOM 0 HG23 THR A 102 12.490 -9.396 -0.722 1.00 73.13 H new ATOM 1618 N ASN A 103 10.526 -11.083 3.071 1.00 70.44 N ATOM 1619 CA ASN A 103 9.963 -11.427 4.366 1.00 11.44 C ATOM 1620 C ASN A 103 9.413 -12.854 4.315 1.00 44.21 C ATOM 1621 O ASN A 103 9.786 -13.696 5.129 1.00 20.15 O ATOM 1622 CB ASN A 103 8.811 -10.489 4.732 1.00 54.20 C ATOM 1623 CG ASN A 103 8.259 -10.816 6.121 1.00 33.53 C ATOM 1624 OD1 ASN A 103 7.291 -11.542 6.278 1.00 4.43 O ATOM 1625 ND2 ASN A 103 8.926 -10.240 7.118 1.00 23.31 N ATOM 0 H ASN A 103 10.243 -10.172 2.711 1.00 70.44 H new ATOM 0 HA ASN A 103 10.753 -11.337 5.112 1.00 11.44 H new ATOM 0 HB2 ASN A 103 9.157 -9.456 4.708 1.00 54.20 H new ATOM 0 HB3 ASN A 103 8.016 -10.576 3.991 1.00 54.20 H new ATOM 0 HD21 ASN A 103 8.635 -10.395 8.083 1.00 23.31 H new ATOM 0 HD22 ASN A 103 9.728 -9.643 6.917 1.00 23.31 H new ATOM 1632 N GLU A 104 8.534 -13.081 3.350 1.00 23.13 N ATOM 1633 CA GLU A 104 7.928 -14.391 3.181 1.00 54.13 C ATOM 1634 C GLU A 104 9.009 -15.473 3.140 1.00 73.12 C ATOM 1635 O GLU A 104 8.781 -16.600 3.578 1.00 31.02 O ATOM 1636 CB GLU A 104 7.059 -14.435 1.924 1.00 64.13 C ATOM 1637 CG GLU A 104 7.894 -14.170 0.670 1.00 74.30 C ATOM 1638 CD GLU A 104 7.130 -14.573 -0.593 1.00 30.24 C ATOM 1639 OE1 GLU A 104 6.396 -13.752 -1.163 1.00 70.41 O ATOM 1640 OE2 GLU A 104 7.320 -15.789 -0.981 1.00 71.21 O1- ATOM 0 H GLU A 104 8.227 -12.379 2.677 1.00 23.13 H new ATOM 0 HA GLU A 104 7.280 -14.584 4.036 1.00 54.13 H new ATOM 0 HB2 GLU A 104 6.577 -15.409 1.845 1.00 64.13 H new ATOM 0 HB3 GLU A 104 6.265 -13.692 2.000 1.00 64.13 H new ATOM 0 HG2 GLU A 104 8.155 -13.113 0.619 1.00 74.30 H new ATOM 0 HG3 GLU A 104 8.829 -14.727 0.727 1.00 74.30 H new TER 1648 GLU A 104 HETATM 1649 FE HEC A 500 20.557 -7.112 -8.122 1.00 34.12 FE HETATM 1650 CHA HEC A 500 23.032 -7.241 -5.709 1.00 70.41 C HETATM 1651 CHB HEC A 500 18.450 -5.590 -5.886 1.00 51.40 C HETATM 1652 CHC HEC A 500 18.558 -6.407 -10.728 1.00 30.32 C HETATM 1653 CHD HEC A 500 22.573 -9.101 -10.170 1.00 22.15 C HETATM 1654 NA HEC A 500 20.740 -6.460 -6.180 1.00 31.22 N HETATM 1655 C1A HEC A 500 21.840 -6.620 -5.410 1.00 70.42 C HETATM 1656 C2A HEC A 500 21.550 -6.108 -4.107 1.00 55.42 C HETATM 1657 C3A HEC A 500 20.254 -5.649 -4.121 1.00 21.02 C HETATM 1658 C4A HEC A 500 19.736 -5.899 -5.449 1.00 11.25 C HETATM 1659 CMA HEC A 500 19.549 -4.957 -2.982 1.00 33.23 C HETATM 1660 CAA HEC A 500 22.467 -6.236 -2.924 1.00 52.15 C HETATM 1661 CBA HEC A 500 22.129 -7.410 -2.002 1.00 50.33 C HETATM 1662 CGA HEC A 500 23.373 -7.862 -1.254 1.00 24.15 C HETATM 1663 O1A HEC A 500 24.313 -7.047 -1.152 1.00 51.15 O HETATM 1664 O2A HEC A 500 23.329 -8.996 -0.725 1.00 64.43 O HETATM 1665 NB HEC A 500 18.780 -6.249 -8.264 1.00 15.25 N HETATM 1666 C1B HEC A 500 18.066 -5.728 -7.225 1.00 55.24 C HETATM 1667 C2B HEC A 500 16.798 -5.303 -7.761 1.00 23.13 C HETATM 1668 C3B HEC A 500 16.884 -5.395 -9.136 1.00 22.40 C HETATM 1669 C4B HEC A 500 18.137 -6.047 -9.441 1.00 23.25 C HETATM 1670 CMB HEC A 500 15.609 -4.864 -6.950 1.00 22.42 C HETATM 1671 CAB HEC A 500 15.848 -4.968 -10.154 1.00 55.14 C HETATM 1672 CBB HEC A 500 15.111 -3.663 -9.837 1.00 1.25 C HETATM 1673 NC HEC A 500 20.542 -7.694 -10.106 1.00 13.44 N HETATM 1674 C1C HEC A 500 19.611 -7.277 -10.983 1.00 70.35 C HETATM 1675 C2C HEC A 500 19.851 -7.958 -12.239 1.00 1.23 C HETATM 1676 C3C HEC A 500 20.898 -8.830 -12.031 1.00 62.35 C HETATM 1677 C4C HEC A 500 21.410 -8.554 -10.707 1.00 2.33 C HETATM 1678 CMC HEC A 500 18.976 -7.901 -13.469 1.00 14.53 C HETATM 1679 CAC HEC A 500 21.374 -9.946 -12.953 1.00 40.04 C HETATM 1680 CBC HEC A 500 21.936 -9.461 -14.295 1.00 35.45 C HETATM 1681 ND HEC A 500 22.451 -8.027 -7.953 1.00 31.33 N HETATM 1682 C1D HEC A 500 23.043 -8.802 -8.899 1.00 44.31 C HETATM 1683 C2D HEC A 500 24.308 -9.252 -8.362 1.00 33.44 C HETATM 1684 C3D HEC A 500 24.452 -8.675 -7.125 1.00 2.54 C HETATM 1685 C4D HEC A 500 23.257 -7.924 -6.872 1.00 41.22 C HETATM 1686 CMD HEC A 500 25.313 -10.151 -9.032 1.00 21.21 C HETATM 1687 CAD HEC A 500 25.690 -8.706 -6.264 1.00 14.14 C HETATM 1688 CBD HEC A 500 26.471 -7.398 -6.376 1.00 13.53 C HETATM 1689 CGD HEC A 500 26.338 -6.766 -7.746 1.00 13.34 C HETATM 1690 O1D HEC A 500 25.844 -5.624 -7.817 1.00 32.14 O HETATM 1691 O2D HEC A 500 26.704 -7.441 -8.728 1.00 31.10 O HETATM 0 HMD3 HEC A 500 24.850 -11.112 -9.255 1.00 21.21 H new HETATM 0 HMD2 HEC A 500 25.654 -9.689 -9.958 1.00 21.21 H new HETATM 0 HMD1 HEC A 500 26.164 -10.304 -8.368 1.00 21.21 H new HETATM 0 HMC3 HEC A 500 17.982 -8.277 -13.226 1.00 14.53 H new HETATM 0 HMC2 HEC A 500 18.900 -6.870 -13.814 1.00 14.53 H new HETATM 0 HMC1 HEC A 500 19.414 -8.515 -14.256 1.00 14.53 H new HETATM 0 HMB3 HEC A 500 15.295 -5.677 -6.296 1.00 22.42 H new HETATM 0 HMB2 HEC A 500 15.880 -3.997 -6.347 1.00 22.42 H new HETATM 0 HMB1 HEC A 500 14.790 -4.599 -7.619 1.00 22.42 H new HETATM 0 HMA3 HEC A 500 19.521 -5.618 -2.116 1.00 33.23 H new HETATM 0 HMA2 HEC A 500 20.085 -4.044 -2.724 1.00 33.23 H new HETATM 0 HMA1 HEC A 500 18.531 -4.708 -3.282 1.00 33.23 H new HETATM 0 HBD2 HEC A 500 26.115 -6.699 -5.619 1.00 13.53 H new HETATM 0 HBD1 HEC A 500 27.524 -7.587 -6.166 1.00 13.53 H new HETATM 0 HBC3 HEC A 500 21.166 -8.910 -14.834 1.00 35.45 H new HETATM 0 HBC2 HEC A 500 22.791 -8.809 -14.117 1.00 35.45 H new HETATM 0 HBC1 HEC A 500 22.251 -10.319 -14.889 1.00 35.45 H new HETATM 0 HBB3 HEC A 500 14.585 -3.763 -8.887 1.00 1.25 H new HETATM 0 HBB2 HEC A 500 15.830 -2.846 -9.769 1.00 1.25 H new HETATM 0 HBB1 HEC A 500 14.393 -3.449 -10.629 1.00 1.25 H new HETATM 0 HBA2 HEC A 500 21.356 -7.114 -1.293 1.00 50.33 H new HETATM 0 HBA1 HEC A 500 21.726 -8.237 -2.586 1.00 50.33 H new HETATM 0 HAD2 HEC A 500 25.410 -8.878 -5.225 1.00 14.14 H new HETATM 0 HAD1 HEC A 500 26.325 -9.539 -6.565 1.00 14.14 H new HETATM 0 HAA2 HEC A 500 23.491 -6.350 -3.281 1.00 52.15 H new HETATM 0 HAA1 HEC A 500 22.431 -5.312 -2.347 1.00 52.15 H new HETATM 0 HHD HEC A 500 23.144 -9.801 -10.780 1.00 22.15 H new HETATM 0 HHC HEC A 500 18.028 -5.979 -11.579 1.00 30.32 H new HETATM 0 HHB HEC A 500 17.719 -5.229 -5.162 1.00 51.40 H new HETATM 0 HHA HEC A 500 23.840 -7.185 -4.979 1.00 70.41 H new HETATM 0 H2A HEC A 500 23.620 -8.933 0.209 1.00 64.43 H new