USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=32 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 180:sc= -0.768 USER MOD Set 1.2: A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= -1.98 USER MOD Set 2.2: A 31 ASN : amide:sc= -4.75 K(o=-6.7,f=-19!) USER MOD Set 3.1: A 15 SER OG : rot 180:sc= -0.8 USER MOD Set 3.2: A 16 GLN : amide:sc= -1.14 K(o=-1.9,f=-3.9!) USER MOD Set 4.1: A 12 MET CE :methyl -159:sc= -0.0031 (180deg=-0.389) USER MOD Set 4.2: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -166:sc= 0.864 (180deg=0.729) USER MOD Single : A 7 LYS NZ :NH3+ 174:sc= 0.0556 (180deg=0.0447) USER MOD Single : A 8 LYS NZ :NH3+ 154:sc= -4.06! (180deg=-5.52!) USER MOD Single : A 22 LYS NZ :NH3+ 162:sc=-7.85e-05 (180deg=-0.209) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -4.55! C(o=-4.6!,f=-4.4!) USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.165) USER MOD Single : A 28 THR OG1 : rot -170:sc= -0.401 USER MOD Single : A 33 HIS :FLIP no HD1:sc= -0.568 F(o=-1.9!,f=-0.57) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 87:sc= -0.618 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.601 F(o=-1.3,f=-0.6) USER MOD Single : A 46 TYR OH : rot 153:sc= 0.498 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -2.97 USER MOD Single : A 49 THR OG1 : rot -96:sc= 1.19 USER MOD Single : A 52 ASN : amide:sc= -2.13 K(o=-2.1,f=-2.8!) USER MOD Single : A 53 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.477) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -115:sc= 2.01 (180deg=-0.508) USER MOD Single : A 63 THR OG1 : rot 110:sc= -0.627 USER MOD Single : A 65 MET CE :methyl -161:sc= -4.81! (180deg=-6.09!) USER MOD Single : A 70 ASN :FLIP amide:sc= -3.87! C(o=-4.4!,f=-3.9!) USER MOD Single : A 72 LYS NZ :NH3+ -121:sc= -1.23 (180deg=-3.52!) USER MOD Single : A 73 LYS NZ :NH3+ -132:sc= -1.09 (180deg=-3.47!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 106:sc= 1.13 USER MOD Single : A 79 LYS NZ :NH3+ -176:sc= -0.913 (180deg=-0.977) USER MOD Single : A 86 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.262) 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 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 146:sc= -0.211 (180deg=-0.865) USER MOD Single : A 102 THR OG1 : rot -91:sc= 1.18 USER MOD Single : A 103 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.18) USER MOD Single : A 500 HEC O2A : rot -30:sc= -1.93 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.236 0.612 -1.189 1.00 24.45 N ATOM 2 CA GLY A 1 2.001 0.290 -2.382 1.00 4.32 C ATOM 3 C GLY A 1 1.670 -1.117 -2.882 1.00 34.12 C ATOM 4 O GLY A 1 1.989 -2.105 -2.222 1.00 52.20 O ATOM 0 H1 GLY A 1 1.479 1.572 -0.870 1.00 24.45 H new ATOM 0 H2 GLY A 1 0.220 0.566 -1.405 1.00 24.45 H new ATOM 0 H3 GLY A 1 1.462 -0.070 -0.437 1.00 24.45 H new ATOM 0 HA2 GLY A 1 1.785 1.018 -3.164 1.00 4.32 H new ATOM 0 HA3 GLY A 1 3.067 0.361 -2.165 1.00 4.32 H new ATOM 8 N ASP A 2 1.036 -1.163 -4.045 1.00 42.55 N ATOM 9 CA ASP A 2 0.659 -2.434 -4.642 1.00 3.31 C ATOM 10 C ASP A 2 1.922 -3.226 -4.986 1.00 4.41 C ATOM 11 O ASP A 2 2.858 -2.683 -5.572 1.00 51.34 O ATOM 12 CB ASP A 2 -0.134 -2.222 -5.933 1.00 52.41 C ATOM 13 CG ASP A 2 -1.565 -1.718 -5.738 1.00 63.04 C ATOM 14 OD1 ASP A 2 -2.323 -1.558 -6.706 1.00 4.01 O ATOM 15 OD2 ASP A 2 -1.898 -1.481 -4.514 1.00 63.42 O1- ATOM 0 H ASP A 2 0.774 -0.341 -4.590 1.00 42.55 H new ATOM 0 HA ASP A 2 0.041 -2.974 -3.924 1.00 3.31 H new ATOM 0 HB2 ASP A 2 0.404 -1.510 -6.559 1.00 52.41 H new ATOM 0 HB3 ASP A 2 -0.168 -3.165 -6.479 1.00 52.41 H new ATOM 21 N VAL A 3 1.907 -4.495 -4.609 1.00 75.13 N ATOM 22 CA VAL A 3 3.040 -5.367 -4.870 1.00 75.34 C ATOM 23 C VAL A 3 3.007 -5.814 -6.333 1.00 13.43 C ATOM 24 O VAL A 3 4.041 -5.858 -6.996 1.00 74.44 O ATOM 25 CB VAL A 3 3.036 -6.539 -3.887 1.00 52.14 C ATOM 26 CG1 VAL A 3 2.507 -6.105 -2.518 1.00 34.45 C ATOM 27 CG2 VAL A 3 2.230 -7.715 -4.439 1.00 44.44 C ATOM 0 H VAL A 3 1.128 -4.941 -4.125 1.00 75.13 H new ATOM 0 HA VAL A 3 3.977 -4.833 -4.714 1.00 75.34 H new ATOM 0 HB VAL A 3 4.066 -6.871 -3.758 1.00 52.14 H new ATOM 0 HG11 VAL A 3 2.515 -6.957 -1.838 1.00 34.45 H new ATOM 0 HG12 VAL A 3 3.141 -5.315 -2.117 1.00 34.45 H new ATOM 0 HG13 VAL A 3 1.488 -5.734 -2.623 1.00 34.45 H new ATOM 0 HG21 VAL A 3 2.243 -8.535 -3.720 1.00 44.44 H new ATOM 0 HG22 VAL A 3 1.201 -7.401 -4.612 1.00 44.44 H new ATOM 0 HG23 VAL A 3 2.670 -8.049 -5.378 1.00 44.44 H new ATOM 37 N GLU A 4 1.806 -6.134 -6.793 1.00 51.25 N ATOM 38 CA GLU A 4 1.624 -6.577 -8.165 1.00 54.55 C ATOM 39 C GLU A 4 2.407 -5.674 -9.122 1.00 41.14 C ATOM 40 O GLU A 4 3.115 -6.162 -10.001 1.00 54.03 O ATOM 41 CB GLU A 4 0.141 -6.614 -8.538 1.00 30.12 C ATOM 42 CG GLU A 4 -0.575 -7.762 -7.824 1.00 30.34 C ATOM 43 CD GLU A 4 -0.335 -9.091 -8.546 1.00 64.34 C ATOM 44 OE1 GLU A 4 -0.449 -10.160 -7.930 1.00 52.43 O ATOM 45 OE2 GLU A 4 -0.020 -8.984 -9.792 1.00 73.12 O1- ATOM 0 H GLU A 4 0.950 -6.095 -6.240 1.00 51.25 H new ATOM 0 HA GLU A 4 2.012 -7.592 -8.253 1.00 54.55 H new ATOM 0 HB2 GLU A 4 -0.328 -5.667 -8.272 1.00 30.12 H new ATOM 0 HB3 GLU A 4 0.036 -6.730 -9.617 1.00 30.12 H new ATOM 0 HG2 GLU A 4 -0.220 -7.833 -6.796 1.00 30.34 H new ATOM 0 HG3 GLU A 4 -1.644 -7.556 -7.779 1.00 30.34 H new ATOM 53 N LYS A 5 2.252 -4.375 -8.917 1.00 75.51 N ATOM 54 CA LYS A 5 2.936 -3.399 -9.751 1.00 13.03 C ATOM 55 C LYS A 5 4.444 -3.651 -9.691 1.00 44.51 C ATOM 56 O LYS A 5 5.148 -3.468 -10.683 1.00 62.31 O ATOM 57 CB LYS A 5 2.533 -1.978 -9.353 1.00 32.11 C ATOM 58 CG LYS A 5 1.271 -1.537 -10.095 1.00 40.51 C ATOM 59 CD LYS A 5 0.039 -2.280 -9.573 1.00 51.43 C ATOM 60 CE LYS A 5 -1.249 -1.585 -10.017 1.00 34.33 C ATOM 61 NZ LYS A 5 -2.433 -2.315 -9.508 1.00 61.11 N1+ ATOM 0 H LYS A 5 1.664 -3.975 -8.186 1.00 75.51 H new ATOM 0 HA LYS A 5 2.635 -3.510 -10.793 1.00 13.03 H new ATOM 0 HB2 LYS A 5 2.361 -1.933 -8.278 1.00 32.11 H new ATOM 0 HB3 LYS A 5 3.349 -1.290 -9.575 1.00 32.11 H new ATOM 0 HG2 LYS A 5 1.130 -0.463 -9.974 1.00 40.51 H new ATOM 0 HG3 LYS A 5 1.388 -1.725 -11.162 1.00 40.51 H new ATOM 0 HD2 LYS A 5 0.047 -3.307 -9.939 1.00 51.43 H new ATOM 0 HD3 LYS A 5 0.073 -2.329 -8.485 1.00 51.43 H new ATOM 0 HE2 LYS A 5 -1.261 -0.559 -9.649 1.00 34.33 H new ATOM 0 HE3 LYS A 5 -1.286 -1.534 -11.105 1.00 34.33 H new ATOM 0 HZ1 LYS A 5 -3.285 -1.982 -10.002 1.00 61.11 H new ATOM 0 HZ2 LYS A 5 -2.311 -3.334 -9.676 1.00 61.11 H new ATOM 0 HZ3 LYS A 5 -2.535 -2.142 -8.488 1.00 61.11 H new ATOM 74 N GLY A 6 4.895 -4.067 -8.517 1.00 33.14 N ATOM 75 CA GLY A 6 6.307 -4.346 -8.314 1.00 41.25 C ATOM 76 C GLY A 6 6.639 -5.794 -8.682 1.00 61.35 C ATOM 77 O GLY A 6 7.807 -6.152 -8.818 1.00 72.04 O ATOM 0 H GLY A 6 4.308 -4.218 -7.697 1.00 33.14 H new ATOM 0 HA2 GLY A 6 6.906 -3.667 -8.920 1.00 41.25 H new ATOM 0 HA3 GLY A 6 6.572 -4.162 -7.273 1.00 41.25 H new ATOM 81 N LYS A 7 5.588 -6.588 -8.829 1.00 54.25 N ATOM 82 CA LYS A 7 5.753 -7.989 -9.177 1.00 13.43 C ATOM 83 C LYS A 7 6.086 -8.104 -10.667 1.00 11.22 C ATOM 84 O LYS A 7 6.938 -8.901 -11.056 1.00 40.24 O ATOM 85 CB LYS A 7 4.520 -8.794 -8.759 1.00 12.01 C ATOM 86 CG LYS A 7 4.861 -10.276 -8.603 1.00 61.14 C ATOM 87 CD LYS A 7 3.970 -10.936 -7.548 1.00 21.42 C ATOM 88 CE LYS A 7 2.491 -10.689 -7.848 1.00 53.44 C ATOM 89 NZ LYS A 7 2.065 -11.464 -9.034 1.00 74.43 N1+ ATOM 0 H LYS A 7 4.620 -6.288 -8.714 1.00 54.25 H new ATOM 0 HA LYS A 7 6.589 -8.422 -8.628 1.00 13.43 H new ATOM 0 HB2 LYS A 7 4.130 -8.406 -7.818 1.00 12.01 H new ATOM 0 HB3 LYS A 7 3.733 -8.675 -9.504 1.00 12.01 H new ATOM 0 HG2 LYS A 7 4.736 -10.784 -9.559 1.00 61.14 H new ATOM 0 HG3 LYS A 7 5.908 -10.384 -8.319 1.00 61.14 H new ATOM 0 HD2 LYS A 7 4.165 -12.008 -7.521 1.00 21.42 H new ATOM 0 HD3 LYS A 7 4.215 -10.542 -6.562 1.00 21.42 H new ATOM 0 HE2 LYS A 7 1.887 -10.972 -6.986 1.00 53.44 H new ATOM 0 HE3 LYS A 7 2.322 -9.626 -8.021 1.00 53.44 H new ATOM 0 HZ1 LYS A 7 1.038 -11.365 -9.163 1.00 74.43 H new ATOM 0 HZ2 LYS A 7 2.556 -11.105 -9.878 1.00 74.43 H new ATOM 0 HZ3 LYS A 7 2.301 -12.467 -8.896 1.00 74.43 H new ATOM 102 N LYS A 8 5.396 -7.297 -11.459 1.00 45.33 N ATOM 103 CA LYS A 8 5.609 -7.298 -12.896 1.00 12.01 C ATOM 104 C LYS A 8 6.779 -6.373 -13.236 1.00 54.24 C ATOM 105 O LYS A 8 7.323 -6.433 -14.337 1.00 40.24 O ATOM 106 CB LYS A 8 4.313 -6.944 -13.630 1.00 14.42 C ATOM 107 CG LYS A 8 3.256 -8.032 -13.430 1.00 34.03 C ATOM 108 CD LYS A 8 3.713 -9.360 -14.037 1.00 33.34 C ATOM 109 CE LYS A 8 4.225 -9.161 -15.466 1.00 60.43 C ATOM 110 NZ LYS A 8 5.675 -8.867 -15.461 1.00 31.43 N1+ ATOM 0 H LYS A 8 4.689 -6.638 -11.133 1.00 45.33 H new ATOM 0 HA LYS A 8 5.881 -8.296 -13.239 1.00 12.01 H new ATOM 0 HB2 LYS A 8 3.932 -5.990 -13.264 1.00 14.42 H new ATOM 0 HB3 LYS A 8 4.515 -6.820 -14.694 1.00 14.42 H new ATOM 0 HG2 LYS A 8 3.061 -8.163 -12.366 1.00 34.03 H new ATOM 0 HG3 LYS A 8 2.318 -7.722 -13.890 1.00 34.03 H new ATOM 0 HD2 LYS A 8 4.501 -9.794 -13.421 1.00 33.34 H new ATOM 0 HD3 LYS A 8 2.884 -10.068 -14.039 1.00 33.34 H new ATOM 0 HE2 LYS A 8 4.032 -10.057 -16.056 1.00 60.43 H new ATOM 0 HE3 LYS A 8 3.684 -8.343 -15.942 1.00 60.43 H new ATOM 0 HZ1 LYS A 8 6.092 -9.162 -16.367 1.00 31.43 H new ATOM 0 HZ2 LYS A 8 5.822 -7.846 -15.328 1.00 31.43 H new ATOM 0 HZ3 LYS A 8 6.132 -9.387 -14.684 1.00 31.43 H new ATOM 123 N ILE A 9 7.132 -5.540 -12.268 1.00 72.22 N ATOM 124 CA ILE A 9 8.229 -4.604 -12.451 1.00 63.35 C ATOM 125 C ILE A 9 9.520 -5.228 -11.919 1.00 74.32 C ATOM 126 O ILE A 9 10.614 -4.859 -12.346 1.00 34.45 O ATOM 127 CB ILE A 9 7.891 -3.252 -11.816 1.00 33.41 C ATOM 128 CG1 ILE A 9 6.766 -2.553 -12.581 1.00 13.20 C ATOM 129 CG2 ILE A 9 9.138 -2.373 -11.700 1.00 10.42 C ATOM 130 CD1 ILE A 9 6.217 -1.366 -11.785 1.00 3.44 C ATOM 0 H ILE A 9 6.679 -5.493 -11.356 1.00 72.22 H new ATOM 0 HA ILE A 9 8.386 -4.402 -13.511 1.00 63.35 H new ATOM 0 HB ILE A 9 7.529 -3.431 -10.804 1.00 33.41 H new ATOM 0 HG12 ILE A 9 7.137 -2.208 -13.546 1.00 13.20 H new ATOM 0 HG13 ILE A 9 5.963 -3.262 -12.783 1.00 13.20 H new ATOM 0 HG21 ILE A 9 8.870 -1.419 -11.246 1.00 10.42 H new ATOM 0 HG22 ILE A 9 9.880 -2.875 -11.079 1.00 10.42 H new ATOM 0 HG23 ILE A 9 9.554 -2.198 -12.692 1.00 10.42 H new ATOM 0 HD11 ILE A 9 5.418 -0.886 -12.351 1.00 3.44 H new ATOM 0 HD12 ILE A 9 5.825 -1.718 -10.831 1.00 3.44 H new ATOM 0 HD13 ILE A 9 7.017 -0.647 -11.606 1.00 3.44 H new ATOM 142 N PHE A 10 9.352 -6.161 -10.994 1.00 22.51 N ATOM 143 CA PHE A 10 10.491 -6.839 -10.399 1.00 30.30 C ATOM 144 C PHE A 10 11.115 -7.830 -11.385 1.00 54.03 C ATOM 145 O PHE A 10 12.271 -8.221 -11.228 1.00 62.33 O ATOM 146 CB PHE A 10 9.968 -7.609 -9.184 1.00 71.01 C ATOM 147 CG PHE A 10 10.849 -8.790 -8.770 1.00 62.01 C ATOM 148 CD1 PHE A 10 12.118 -8.572 -8.333 1.00 65.44 C ATOM 149 CD2 PHE A 10 10.362 -10.058 -8.839 1.00 53.24 C ATOM 150 CE1 PHE A 10 12.934 -9.669 -7.948 1.00 63.41 C ATOM 151 CE2 PHE A 10 11.178 -11.154 -8.455 1.00 45.31 C ATOM 152 CZ PHE A 10 12.447 -10.937 -8.018 1.00 72.24 C ATOM 0 H PHE A 10 8.444 -6.464 -10.642 1.00 22.51 H new ATOM 0 HA PHE A 10 11.255 -6.112 -10.123 1.00 30.30 H new ATOM 0 HB2 PHE A 10 9.879 -6.922 -8.342 1.00 71.01 H new ATOM 0 HB3 PHE A 10 8.965 -7.976 -9.403 1.00 71.01 H new ATOM 0 HD1 PHE A 10 12.505 -7.565 -8.279 1.00 65.44 H new ATOM 0 HD2 PHE A 10 9.354 -10.231 -9.186 1.00 53.24 H new ATOM 0 HE1 PHE A 10 13.942 -9.496 -7.600 1.00 63.41 H new ATOM 0 HE2 PHE A 10 10.791 -12.161 -8.510 1.00 45.31 H new ATOM 0 HZ PHE A 10 13.068 -11.771 -7.727 1.00 72.24 H new ATOM 162 N ILE A 11 10.323 -8.205 -12.378 1.00 5.51 N ATOM 163 CA ILE A 11 10.783 -9.143 -13.389 1.00 1.20 C ATOM 164 C ILE A 11 11.565 -8.383 -14.462 1.00 50.30 C ATOM 165 O ILE A 11 12.782 -8.533 -14.572 1.00 63.10 O ATOM 166 CB ILE A 11 9.610 -9.955 -13.941 1.00 12.30 C ATOM 167 CG1 ILE A 11 9.003 -10.848 -12.857 1.00 73.50 C ATOM 168 CG2 ILE A 11 10.030 -10.755 -15.175 1.00 74.44 C ATOM 169 CD1 ILE A 11 7.586 -11.283 -13.234 1.00 31.21 C ATOM 0 H ILE A 11 9.366 -7.877 -12.505 1.00 5.51 H new ATOM 0 HA ILE A 11 11.465 -9.872 -12.952 1.00 1.20 H new ATOM 0 HB ILE A 11 8.832 -9.260 -14.258 1.00 12.30 H new ATOM 0 HG12 ILE A 11 9.631 -11.727 -12.712 1.00 73.50 H new ATOM 0 HG13 ILE A 11 8.982 -10.311 -11.908 1.00 73.50 H new ATOM 0 HG21 ILE A 11 9.178 -11.323 -15.548 1.00 74.44 H new ATOM 0 HG22 ILE A 11 10.378 -10.072 -15.950 1.00 74.44 H new ATOM 0 HG23 ILE A 11 10.834 -11.440 -14.908 1.00 74.44 H new ATOM 0 HD11 ILE A 11 7.178 -11.917 -12.446 1.00 31.21 H new ATOM 0 HD12 ILE A 11 6.955 -10.402 -13.354 1.00 31.21 H new ATOM 0 HD13 ILE A 11 7.614 -11.840 -14.170 1.00 31.21 H new ATOM 181 N MET A 12 10.836 -7.585 -15.228 1.00 24.33 N ATOM 182 CA MET A 12 11.446 -6.803 -16.289 1.00 1.20 C ATOM 183 C MET A 12 12.690 -6.070 -15.784 1.00 33.53 C ATOM 184 O MET A 12 13.591 -5.760 -16.561 1.00 42.35 O ATOM 185 CB MET A 12 10.434 -5.786 -16.820 1.00 60.40 C ATOM 186 CG MET A 12 10.667 -5.503 -18.305 1.00 23.04 C ATOM 187 SD MET A 12 10.187 -3.828 -18.692 1.00 15.25 S ATOM 188 CE MET A 12 11.786 -3.121 -19.051 1.00 65.42 C ATOM 0 H MET A 12 9.828 -7.463 -15.135 1.00 24.33 H new ATOM 0 HA MET A 12 11.746 -7.481 -17.088 1.00 1.20 H new ATOM 0 HB2 MET A 12 9.422 -6.164 -16.673 1.00 60.40 H new ATOM 0 HB3 MET A 12 10.514 -4.859 -16.253 1.00 60.40 H new ATOM 0 HG2 MET A 12 11.718 -5.655 -18.552 1.00 23.04 H new ATOM 0 HG3 MET A 12 10.093 -6.204 -18.911 1.00 23.04 H new ATOM 0 HE1 MET A 12 11.736 -2.037 -18.947 1.00 65.42 H new ATOM 0 HE2 MET A 12 12.524 -3.519 -18.355 1.00 65.42 H new ATOM 0 HE3 MET A 12 12.075 -3.375 -20.071 1.00 65.42 H new ATOM 198 N LYS A 13 12.700 -5.814 -14.483 1.00 62.15 N ATOM 199 CA LYS A 13 13.819 -5.123 -13.866 1.00 62.04 C ATOM 200 C LYS A 13 14.758 -6.149 -13.231 1.00 3.45 C ATOM 201 O LYS A 13 15.975 -5.971 -13.240 1.00 2.42 O ATOM 202 CB LYS A 13 13.316 -4.059 -12.886 1.00 42.23 C ATOM 203 CG LYS A 13 12.300 -3.134 -13.556 1.00 64.41 C ATOM 204 CD LYS A 13 12.999 -1.970 -14.262 1.00 24.41 C ATOM 205 CE LYS A 13 13.432 -2.366 -15.674 1.00 3.12 C ATOM 206 NZ LYS A 13 13.443 -1.184 -16.564 1.00 43.44 N1+ ATOM 0 H LYS A 13 11.951 -6.073 -13.840 1.00 62.15 H new ATOM 0 HA LYS A 13 14.396 -4.584 -14.617 1.00 62.04 H new ATOM 0 HB2 LYS A 13 12.859 -4.542 -12.022 1.00 42.23 H new ATOM 0 HB3 LYS A 13 14.158 -3.473 -12.516 1.00 42.23 H new ATOM 0 HG2 LYS A 13 11.709 -3.699 -14.277 1.00 64.41 H new ATOM 0 HG3 LYS A 13 11.607 -2.747 -12.809 1.00 64.41 H new ATOM 0 HD2 LYS A 13 12.327 -1.113 -14.311 1.00 24.41 H new ATOM 0 HD3 LYS A 13 13.870 -1.660 -13.684 1.00 24.41 H new ATOM 0 HE2 LYS A 13 14.425 -2.815 -15.644 1.00 3.12 H new ATOM 0 HE3 LYS A 13 12.753 -3.121 -16.071 1.00 3.12 H new ATOM 0 HZ1 LYS A 13 13.739 -1.471 -17.519 1.00 43.44 H new ATOM 0 HZ2 LYS A 13 12.489 -0.773 -16.607 1.00 43.44 H new ATOM 0 HZ3 LYS A 13 14.109 -0.476 -16.193 1.00 43.44 H new ATOM 219 N CYS A 14 14.158 -7.202 -12.695 1.00 12.24 N ATOM 220 CA CYS A 14 14.927 -8.257 -12.057 1.00 32.54 C ATOM 221 C CYS A 14 14.374 -9.605 -12.525 1.00 32.32 C ATOM 222 O CYS A 14 13.581 -10.232 -11.823 1.00 22.25 O ATOM 223 CB CYS A 14 14.905 -8.130 -10.532 1.00 14.53 C ATOM 224 SG CYS A 14 14.659 -6.427 -9.908 1.00 23.33 S ATOM 0 H CYS A 14 13.148 -7.347 -12.689 1.00 12.24 H new ATOM 0 HA CYS A 14 15.974 -8.174 -12.348 1.00 32.54 H new ATOM 0 HB2 CYS A 14 14.110 -8.764 -10.140 1.00 14.53 H new ATOM 0 HB3 CYS A 14 15.845 -8.515 -10.136 1.00 14.53 H new ATOM 229 N SER A 15 14.812 -10.009 -13.708 1.00 63.31 N ATOM 230 CA SER A 15 14.371 -11.271 -14.277 1.00 52.21 C ATOM 231 C SER A 15 15.549 -12.242 -14.375 1.00 14.32 C ATOM 232 O SER A 15 16.653 -11.849 -14.748 1.00 24.42 O ATOM 233 CB SER A 15 13.739 -11.062 -15.655 1.00 24.11 C ATOM 234 OG SER A 15 13.729 -12.261 -16.426 1.00 62.04 O ATOM 0 H SER A 15 15.467 -9.485 -14.288 1.00 63.31 H new ATOM 0 HA SER A 15 13.613 -11.696 -13.619 1.00 52.21 H new ATOM 0 HB2 SER A 15 12.718 -10.700 -15.534 1.00 24.11 H new ATOM 0 HB3 SER A 15 14.289 -10.290 -16.193 1.00 24.11 H new ATOM 0 HG SER A 15 13.317 -12.086 -17.298 1.00 62.04 H new ATOM 240 N GLN A 16 15.274 -13.492 -14.032 1.00 3.25 N ATOM 241 CA GLN A 16 16.297 -14.522 -14.076 1.00 0.11 C ATOM 242 C GLN A 16 17.630 -13.968 -13.570 1.00 64.21 C ATOM 243 O GLN A 16 18.686 -14.290 -14.111 1.00 52.24 O ATOM 244 CB GLN A 16 16.442 -15.091 -15.488 1.00 55.01 C ATOM 245 CG GLN A 16 15.285 -16.037 -15.820 1.00 51.45 C ATOM 246 CD GLN A 16 14.030 -15.252 -16.207 1.00 65.25 C ATOM 247 OE1 GLN A 16 13.950 -14.636 -17.256 1.00 12.42 O ATOM 248 NE2 GLN A 16 13.055 -15.311 -15.302 1.00 43.12 N ATOM 0 H GLN A 16 14.357 -13.814 -13.722 1.00 3.25 H new ATOM 0 HA GLN A 16 15.992 -15.337 -13.420 1.00 0.11 H new ATOM 0 HB2 GLN A 16 16.469 -14.276 -16.211 1.00 55.01 H new ATOM 0 HB3 GLN A 16 17.389 -15.625 -15.573 1.00 55.01 H new ATOM 0 HG2 GLN A 16 15.573 -16.696 -16.639 1.00 51.45 H new ATOM 0 HG3 GLN A 16 15.071 -16.672 -14.960 1.00 51.45 H new ATOM 0 HE21 GLN A 16 13.188 -15.846 -14.444 1.00 43.12 H new ATOM 0 HE22 GLN A 16 12.175 -14.822 -15.467 1.00 43.12 H new ATOM 257 N CYS A 17 17.537 -13.145 -12.535 1.00 41.41 N ATOM 258 CA CYS A 17 18.724 -12.543 -11.949 1.00 75.41 C ATOM 259 C CYS A 17 18.622 -12.665 -10.428 1.00 51.53 C ATOM 260 O CYS A 17 19.563 -13.112 -9.772 1.00 52.44 O ATOM 261 CB CYS A 17 18.900 -11.091 -12.395 1.00 31.53 C ATOM 262 SG CYS A 17 19.933 -10.867 -13.889 1.00 22.31 S ATOM 0 H CYS A 17 16.659 -12.881 -12.087 1.00 41.41 H new ATOM 0 HA CYS A 17 19.612 -13.070 -12.296 1.00 75.41 H new ATOM 0 HB2 CYS A 17 17.916 -10.662 -12.583 1.00 31.53 H new ATOM 0 HB3 CYS A 17 19.343 -10.525 -11.576 1.00 31.53 H new ATOM 267 N HIS A 18 17.472 -12.260 -9.908 1.00 64.33 N ATOM 268 CA HIS A 18 17.235 -12.317 -8.476 1.00 50.04 C ATOM 269 C HIS A 18 16.101 -13.301 -8.183 1.00 45.23 C ATOM 270 O HIS A 18 15.330 -13.649 -9.077 1.00 13.43 O ATOM 271 CB HIS A 18 16.970 -10.920 -7.913 1.00 30.21 C ATOM 272 CG HIS A 18 18.202 -10.052 -7.818 1.00 12.01 C ATOM 273 ND1 HIS A 18 19.282 -10.369 -7.013 1.00 53.33 N ATOM 274 CD2 HIS A 18 18.513 -8.875 -8.434 1.00 63.45 C ATOM 275 CE1 HIS A 18 20.197 -9.419 -7.147 1.00 1.34 C ATOM 276 NE2 HIS A 18 19.717 -8.494 -8.028 1.00 4.41 N ATOM 0 H HIS A 18 16.694 -11.891 -10.454 1.00 64.33 H new ATOM 0 HA HIS A 18 18.128 -12.685 -7.970 1.00 50.04 H new ATOM 0 HB2 HIS A 18 16.233 -10.420 -8.542 1.00 30.21 H new ATOM 0 HB3 HIS A 18 16.529 -11.017 -6.921 1.00 30.21 H new ATOM 0 HD1 HIS A 18 19.361 -11.193 -6.418 1.00 53.33 H new ATOM 0 HD2 HIS A 18 17.885 -8.343 -9.134 1.00 63.45 H new ATOM 0 HE1 HIS A 18 21.154 -9.383 -6.647 1.00 1.34 H new ATOM 284 N THR A 19 16.035 -13.720 -6.928 1.00 3.13 N ATOM 285 CA THR A 19 15.007 -14.657 -6.506 1.00 10.30 C ATOM 286 C THR A 19 14.309 -14.149 -5.242 1.00 53.54 C ATOM 287 O THR A 19 14.861 -13.330 -4.510 1.00 63.55 O ATOM 288 CB THR A 19 15.660 -16.028 -6.328 1.00 22.40 C ATOM 289 OG1 THR A 19 16.752 -15.781 -5.446 1.00 12.31 O ATOM 290 CG2 THR A 19 16.326 -16.530 -7.611 1.00 53.02 C ATOM 0 H THR A 19 16.676 -13.428 -6.190 1.00 3.13 H new ATOM 0 HA THR A 19 14.224 -14.749 -7.259 1.00 10.30 H new ATOM 0 HB THR A 19 14.909 -16.748 -6.002 1.00 22.40 H new ATOM 0 HG1 THR A 19 17.230 -16.619 -5.275 1.00 12.31 H new ATOM 0 HG21 THR A 19 16.774 -17.507 -7.430 1.00 53.02 H new ATOM 0 HG22 THR A 19 15.579 -16.614 -8.400 1.00 53.02 H new ATOM 0 HG23 THR A 19 17.100 -15.827 -7.918 1.00 53.02 H new ATOM 298 N VAL A 20 13.104 -14.655 -5.026 1.00 23.12 N ATOM 299 CA VAL A 20 12.325 -14.263 -3.864 1.00 24.13 C ATOM 300 C VAL A 20 11.768 -15.514 -3.182 1.00 41.42 C ATOM 301 O VAL A 20 11.873 -15.662 -1.966 1.00 25.44 O ATOM 302 CB VAL A 20 11.235 -13.271 -4.276 1.00 32.22 C ATOM 303 CG1 VAL A 20 11.804 -12.175 -5.179 1.00 62.12 C ATOM 304 CG2 VAL A 20 10.067 -13.990 -4.954 1.00 12.44 C ATOM 0 H VAL A 20 12.648 -15.333 -5.636 1.00 23.12 H new ATOM 0 HA VAL A 20 12.955 -13.751 -3.137 1.00 24.13 H new ATOM 0 HB VAL A 20 10.855 -12.796 -3.372 1.00 32.22 H new ATOM 0 HG11 VAL A 20 11.009 -11.484 -5.457 1.00 62.12 H new ATOM 0 HG12 VAL A 20 12.586 -11.634 -4.646 1.00 62.12 H new ATOM 0 HG13 VAL A 20 12.224 -12.626 -6.078 1.00 62.12 H new ATOM 0 HG21 VAL A 20 9.306 -13.262 -5.237 1.00 12.44 H new ATOM 0 HG22 VAL A 20 10.425 -14.505 -5.845 1.00 12.44 H new ATOM 0 HG23 VAL A 20 9.636 -14.715 -4.264 1.00 12.44 H new ATOM 314 N GLU A 21 11.187 -16.383 -3.996 1.00 11.10 N ATOM 315 CA GLU A 21 10.613 -17.618 -3.488 1.00 25.04 C ATOM 316 C GLU A 21 11.721 -18.569 -3.031 1.00 12.30 C ATOM 317 O GLU A 21 12.817 -18.566 -3.589 1.00 52.20 O ATOM 318 CB GLU A 21 9.720 -18.281 -4.538 1.00 44.12 C ATOM 319 CG GLU A 21 10.420 -18.338 -5.897 1.00 55.24 C ATOM 320 CD GLU A 21 9.913 -19.519 -6.727 1.00 31.53 C ATOM 321 OE1 GLU A 21 9.206 -20.389 -6.198 1.00 42.20 O ATOM 322 OE2 GLU A 21 10.278 -19.513 -7.964 1.00 50.23 O1- ATOM 0 H GLU A 21 11.101 -16.256 -5.004 1.00 11.10 H new ATOM 0 HA GLU A 21 9.988 -17.378 -2.628 1.00 25.04 H new ATOM 0 HB2 GLU A 21 9.461 -19.290 -4.216 1.00 44.12 H new ATOM 0 HB3 GLU A 21 8.786 -17.726 -4.629 1.00 44.12 H new ATOM 0 HG2 GLU A 21 10.247 -17.408 -6.438 1.00 55.24 H new ATOM 0 HG3 GLU A 21 11.497 -18.427 -5.752 1.00 55.24 H new ATOM 330 N LYS A 22 11.397 -19.362 -2.019 1.00 73.14 N ATOM 331 CA LYS A 22 12.350 -20.316 -1.480 1.00 13.40 C ATOM 332 C LYS A 22 12.853 -21.220 -2.608 1.00 71.42 C ATOM 333 O LYS A 22 14.058 -21.392 -2.780 1.00 40.23 O ATOM 334 CB LYS A 22 11.737 -21.081 -0.306 1.00 60.13 C ATOM 335 CG LYS A 22 12.688 -22.171 0.195 1.00 54.23 C ATOM 336 CD LYS A 22 12.486 -22.429 1.690 1.00 32.02 C ATOM 337 CE LYS A 22 13.653 -23.233 2.268 1.00 72.12 C ATOM 338 NZ LYS A 22 14.863 -22.389 2.373 1.00 5.33 N1+ ATOM 0 H LYS A 22 10.487 -19.362 -1.559 1.00 73.14 H new ATOM 0 HA LYS A 22 13.219 -19.798 -1.074 1.00 13.40 H new ATOM 0 HB2 LYS A 22 11.511 -20.389 0.505 1.00 60.13 H new ATOM 0 HB3 LYS A 22 10.793 -21.530 -0.613 1.00 60.13 H new ATOM 0 HG2 LYS A 22 12.518 -23.092 -0.363 1.00 54.23 H new ATOM 0 HG3 LYS A 22 13.720 -21.872 0.010 1.00 54.23 H new ATOM 0 HD2 LYS A 22 12.396 -21.480 2.218 1.00 32.02 H new ATOM 0 HD3 LYS A 22 11.553 -22.970 1.847 1.00 32.02 H new ATOM 0 HE2 LYS A 22 13.385 -23.618 3.252 1.00 72.12 H new ATOM 0 HE3 LYS A 22 13.858 -24.095 1.633 1.00 72.12 H new ATOM 0 HZ1 LYS A 22 15.539 -22.831 3.029 1.00 5.33 H new ATOM 0 HZ2 LYS A 22 15.302 -22.294 1.435 1.00 5.33 H new ATOM 0 HZ3 LYS A 22 14.600 -21.448 2.729 1.00 5.33 H new ATOM 351 N GLY A 23 11.903 -21.775 -3.347 1.00 32.25 N ATOM 352 CA GLY A 23 12.234 -22.657 -4.453 1.00 1.23 C ATOM 353 C GLY A 23 13.237 -21.995 -5.400 1.00 60.40 C ATOM 354 O GLY A 23 14.077 -22.672 -5.991 1.00 40.12 O ATOM 0 H GLY A 23 10.904 -21.631 -3.201 1.00 32.25 H new ATOM 0 HA2 GLY A 23 12.651 -23.588 -4.068 1.00 1.23 H new ATOM 0 HA3 GLY A 23 11.328 -22.916 -5.000 1.00 1.23 H new ATOM 358 N GLY A 24 13.116 -20.681 -5.515 1.00 42.54 N ATOM 359 CA GLY A 24 14.001 -19.920 -6.380 1.00 13.42 C ATOM 360 C GLY A 24 15.381 -19.752 -5.740 1.00 24.43 C ATOM 361 O GLY A 24 15.597 -18.827 -4.959 1.00 31.23 O ATOM 0 H GLY A 24 12.418 -20.123 -5.023 1.00 42.54 H new ATOM 0 HA2 GLY A 24 14.101 -20.426 -7.340 1.00 13.42 H new ATOM 0 HA3 GLY A 24 13.567 -18.940 -6.579 1.00 13.42 H new ATOM 365 N LYS A 25 16.279 -20.659 -6.096 1.00 43.10 N ATOM 366 CA LYS A 25 17.631 -20.621 -5.568 1.00 25.50 C ATOM 367 C LYS A 25 18.357 -19.394 -6.120 1.00 31.53 C ATOM 368 O LYS A 25 17.905 -18.784 -7.088 1.00 63.34 O ATOM 369 CB LYS A 25 18.353 -21.941 -5.848 1.00 45.42 C ATOM 370 CG LYS A 25 19.014 -21.921 -7.227 1.00 33.12 C ATOM 371 CD LYS A 25 17.964 -21.944 -8.340 1.00 51.15 C ATOM 372 CE LYS A 25 17.144 -23.233 -8.292 1.00 20.45 C ATOM 373 NZ LYS A 25 16.393 -23.417 -9.555 1.00 61.34 N1+ ATOM 0 H LYS A 25 16.096 -21.425 -6.744 1.00 43.10 H new ATOM 0 HA LYS A 25 17.612 -20.518 -4.483 1.00 25.50 H new ATOM 0 HB2 LYS A 25 19.108 -22.117 -5.081 1.00 45.42 H new ATOM 0 HB3 LYS A 25 17.644 -22.767 -5.792 1.00 45.42 H new ATOM 0 HG2 LYS A 25 19.633 -21.029 -7.325 1.00 33.12 H new ATOM 0 HG3 LYS A 25 19.676 -22.781 -7.329 1.00 33.12 H new ATOM 0 HD2 LYS A 25 17.302 -21.084 -8.239 1.00 51.15 H new ATOM 0 HD3 LYS A 25 18.454 -21.856 -9.310 1.00 51.15 H new ATOM 0 HE2 LYS A 25 17.804 -24.085 -8.127 1.00 20.45 H new ATOM 0 HE3 LYS A 25 16.451 -23.199 -7.451 1.00 20.45 H new ATOM 0 HZ1 LYS A 25 15.841 -24.297 -9.506 1.00 61.34 H new ATOM 0 HZ2 LYS A 25 15.749 -22.612 -9.697 1.00 61.34 H new ATOM 0 HZ3 LYS A 25 17.060 -23.471 -10.351 1.00 61.34 H new ATOM 386 N HIS A 26 19.471 -19.066 -5.480 1.00 35.31 N ATOM 387 CA HIS A 26 20.263 -17.921 -5.896 1.00 31.21 C ATOM 388 C HIS A 26 20.900 -18.206 -7.258 1.00 31.35 C ATOM 389 O HIS A 26 21.493 -19.265 -7.461 1.00 63.11 O ATOM 390 CB HIS A 26 21.292 -17.555 -4.825 1.00 60.42 C ATOM 391 CG HIS A 26 20.698 -17.328 -3.455 1.00 74.52 C ATOM 392 ND1 HIS A 26 21.358 -16.630 -2.459 1.00 53.11 N ATOM 393 CD2 HIS A 26 19.501 -17.713 -2.928 1.00 43.12 C ATOM 394 CE1 HIS A 26 20.583 -16.603 -1.384 1.00 4.22 C ATOM 395 NE2 HIS A 26 19.433 -17.275 -1.677 1.00 45.54 N ATOM 0 H HIS A 26 19.843 -19.573 -4.677 1.00 35.31 H new ATOM 0 HA HIS A 26 19.618 -17.050 -6.010 1.00 31.21 H new ATOM 0 HB2 HIS A 26 22.034 -18.351 -4.761 1.00 60.42 H new ATOM 0 HB3 HIS A 26 21.819 -16.653 -5.135 1.00 60.42 H new ATOM 0 HD2 HIS A 26 18.738 -18.279 -3.441 1.00 43.12 H new ATOM 0 HE1 HIS A 26 20.820 -16.132 -0.442 1.00 4.22 H new ATOM 0 HE2 HIS A 26 18.650 -17.418 -1.040 1.00 45.54 H new ATOM 403 N LYS A 27 20.757 -17.242 -8.156 1.00 43.43 N ATOM 404 CA LYS A 27 21.311 -17.376 -9.493 1.00 42.03 C ATOM 405 C LYS A 27 22.330 -16.260 -9.731 1.00 2.45 C ATOM 406 O LYS A 27 23.465 -16.340 -9.264 1.00 22.32 O ATOM 407 CB LYS A 27 20.191 -17.420 -10.535 1.00 4.12 C ATOM 408 CG LYS A 27 19.634 -18.838 -10.680 1.00 44.14 C ATOM 409 CD LYS A 27 18.985 -19.033 -12.052 1.00 74.23 C ATOM 410 CE LYS A 27 17.862 -18.019 -12.277 1.00 2.05 C ATOM 411 NZ LYS A 27 16.767 -18.235 -11.305 1.00 22.44 N1+ ATOM 0 H LYS A 27 20.266 -16.365 -7.984 1.00 43.43 H new ATOM 0 HA LYS A 27 21.844 -18.322 -9.593 1.00 42.03 H new ATOM 0 HB2 LYS A 27 19.391 -16.739 -10.244 1.00 4.12 H new ATOM 0 HB3 LYS A 27 20.570 -17.074 -11.497 1.00 4.12 H new ATOM 0 HG2 LYS A 27 20.437 -19.563 -10.547 1.00 44.14 H new ATOM 0 HG3 LYS A 27 18.900 -19.027 -9.896 1.00 44.14 H new ATOM 0 HD2 LYS A 27 19.738 -18.926 -12.833 1.00 74.23 H new ATOM 0 HD3 LYS A 27 18.587 -20.045 -12.129 1.00 74.23 H new ATOM 0 HE2 LYS A 27 18.252 -17.006 -12.175 1.00 2.05 H new ATOM 0 HE3 LYS A 27 17.478 -18.112 -13.293 1.00 2.05 H new ATOM 0 HZ1 LYS A 27 15.934 -17.684 -11.593 1.00 22.44 H new ATOM 0 HZ2 LYS A 27 16.521 -19.245 -11.278 1.00 22.44 H new ATOM 0 HZ3 LYS A 27 17.076 -17.928 -10.360 1.00 22.44 H new ATOM 424 N THR A 28 21.888 -15.245 -10.459 1.00 45.00 N ATOM 425 CA THR A 28 22.747 -14.114 -10.765 1.00 61.12 C ATOM 426 C THR A 28 23.022 -13.294 -9.503 1.00 45.43 C ATOM 427 O THR A 28 24.104 -12.733 -9.346 1.00 2.21 O ATOM 428 CB THR A 28 22.083 -13.305 -11.882 1.00 35.30 C ATOM 429 OG1 THR A 28 21.528 -14.294 -12.744 1.00 61.25 O ATOM 430 CG2 THR A 28 23.101 -12.574 -12.760 1.00 51.31 C ATOM 0 H THR A 28 20.946 -15.182 -10.846 1.00 45.00 H new ATOM 0 HA THR A 28 23.724 -14.444 -11.118 1.00 61.12 H new ATOM 0 HB THR A 28 21.394 -12.582 -11.446 1.00 35.30 H new ATOM 0 HG1 THR A 28 21.218 -13.870 -13.571 1.00 61.25 H new ATOM 0 HG21 THR A 28 22.578 -12.016 -13.536 1.00 51.31 H new ATOM 0 HG22 THR A 28 23.682 -11.885 -12.147 1.00 51.31 H new ATOM 0 HG23 THR A 28 23.769 -13.300 -13.223 1.00 51.31 H new ATOM 438 N GLY A 29 22.022 -13.253 -8.634 1.00 10.45 N ATOM 439 CA GLY A 29 22.143 -12.512 -7.390 1.00 52.43 C ATOM 440 C GLY A 29 21.518 -13.288 -6.228 1.00 73.33 C ATOM 441 O GLY A 29 20.953 -14.362 -6.426 1.00 12.41 O ATOM 0 H GLY A 29 21.125 -13.721 -8.767 1.00 10.45 H new ATOM 0 HA2 GLY A 29 23.195 -12.318 -7.179 1.00 52.43 H new ATOM 0 HA3 GLY A 29 21.654 -11.543 -7.490 1.00 52.43 H new ATOM 445 N PRO A 30 21.646 -12.698 -5.009 1.00 64.11 N ATOM 446 CA PRO A 30 21.102 -13.321 -3.814 1.00 53.23 C ATOM 447 C PRO A 30 19.580 -13.175 -3.765 1.00 41.02 C ATOM 448 O PRO A 30 19.030 -12.197 -4.266 1.00 1.24 O ATOM 449 CB PRO A 30 21.804 -12.633 -2.656 1.00 21.01 C ATOM 450 CG PRO A 30 22.365 -11.336 -3.220 1.00 61.15 C ATOM 451 CD PRO A 30 22.310 -11.426 -4.737 1.00 30.43 C ATOM 0 HA PRO A 30 21.276 -14.397 -3.783 1.00 53.23 H new ATOM 0 HB2 PRO A 30 21.109 -12.436 -1.840 1.00 21.01 H new ATOM 0 HB3 PRO A 30 22.599 -13.260 -2.253 1.00 21.01 H new ATOM 0 HG2 PRO A 30 21.785 -10.483 -2.867 1.00 61.15 H new ATOM 0 HG3 PRO A 30 23.391 -11.185 -2.883 1.00 61.15 H new ATOM 0 HD2 PRO A 30 21.755 -10.590 -5.163 1.00 30.43 H new ATOM 0 HD3 PRO A 30 23.309 -11.400 -5.172 1.00 30.43 H new ATOM 459 N ASN A 31 18.942 -14.163 -3.154 1.00 42.21 N ATOM 460 CA ASN A 31 17.495 -14.157 -3.032 1.00 54.23 C ATOM 461 C ASN A 31 17.065 -12.970 -2.167 1.00 24.12 C ATOM 462 O ASN A 31 17.433 -12.886 -0.995 1.00 22.02 O ATOM 463 CB ASN A 31 16.992 -15.436 -2.361 1.00 1.42 C ATOM 464 CG ASN A 31 15.515 -15.677 -2.675 1.00 33.11 C ATOM 465 OD1 ASN A 31 14.634 -14.953 -2.240 1.00 34.33 O ATOM 466 ND2 ASN A 31 15.292 -16.733 -3.455 1.00 24.23 N ATOM 0 H ASN A 31 19.402 -14.973 -2.738 1.00 42.21 H new ATOM 0 HA ASN A 31 17.074 -14.086 -4.035 1.00 54.23 H new ATOM 0 HB2 ASN A 31 17.583 -16.286 -2.702 1.00 1.42 H new ATOM 0 HB3 ASN A 31 17.131 -15.363 -1.282 1.00 1.42 H new ATOM 0 HD21 ASN A 31 14.338 -16.977 -3.722 1.00 24.23 H new ATOM 0 HD22 ASN A 31 16.075 -17.298 -3.785 1.00 24.23 H new ATOM 473 N LEU A 32 16.294 -12.082 -2.777 1.00 74.54 N ATOM 474 CA LEU A 32 15.812 -10.904 -2.076 1.00 5.51 C ATOM 475 C LEU A 32 15.194 -11.326 -0.742 1.00 71.53 C ATOM 476 O LEU A 32 15.162 -10.543 0.207 1.00 22.25 O ATOM 477 CB LEU A 32 14.860 -10.103 -2.967 1.00 14.14 C ATOM 478 CG LEU A 32 15.509 -9.041 -3.858 1.00 30.32 C ATOM 479 CD1 LEU A 32 15.647 -7.712 -3.115 1.00 72.11 C ATOM 480 CD2 LEU A 32 16.850 -9.532 -4.409 1.00 23.23 C ATOM 0 H LEU A 32 15.991 -12.154 -3.748 1.00 74.54 H new ATOM 0 HA LEU A 32 16.640 -10.233 -1.847 1.00 5.51 H new ATOM 0 HB2 LEU A 32 14.317 -10.801 -3.604 1.00 14.14 H new ATOM 0 HB3 LEU A 32 14.123 -9.614 -2.330 1.00 14.14 H new ATOM 0 HG LEU A 32 14.855 -8.866 -4.712 1.00 30.32 H new ATOM 0 HD11 LEU A 32 16.111 -6.975 -3.771 1.00 72.11 H new ATOM 0 HD12 LEU A 32 14.661 -7.360 -2.814 1.00 72.11 H new ATOM 0 HD13 LEU A 32 16.268 -7.853 -2.230 1.00 72.11 H new ATOM 0 HD21 LEU A 32 17.290 -8.759 -5.039 1.00 23.23 H new ATOM 0 HD22 LEU A 32 17.524 -9.753 -3.582 1.00 23.23 H new ATOM 0 HD23 LEU A 32 16.692 -10.434 -5.000 1.00 23.23 H new ATOM 492 N HIS A 33 14.719 -12.562 -0.710 1.00 14.50 N ATOM 493 CA HIS A 33 14.104 -13.098 0.492 1.00 13.44 C ATOM 494 C HIS A 33 14.913 -12.666 1.717 1.00 62.54 C ATOM 495 O HIS A 33 14.344 -12.334 2.756 1.00 23.12 O ATOM 496 CB HIS A 33 13.946 -14.617 0.391 1.00 5.43 C ATOM 497 CG HIS A 33 13.555 -15.281 1.690 1.00 22.13 C ATOM 498 ND1 HIS A 33 14.165 -15.282 2.909 1.00 13.25 N flip ATOM 499 CD2 HIS A 33 12.414 -16.053 1.823 1.00 23.11 C flip ATOM 500 CE1 HIS A 33 13.436 -16.013 3.743 1.00 64.43 C flip ATOM 501 NE2 HIS A 33 12.350 -16.492 3.071 1.00 50.42 N flip ATOM 0 H HIS A 33 14.748 -13.209 -1.498 1.00 14.50 H new ATOM 0 HA HIS A 33 13.098 -12.694 0.602 1.00 13.44 H new ATOM 0 HB2 HIS A 33 13.192 -14.844 -0.363 1.00 5.43 H new ATOM 0 HB3 HIS A 33 14.885 -15.047 0.043 1.00 5.43 H new ATOM 0 HD2 HIS A 33 11.698 -16.262 1.042 1.00 23.11 H new ATOM 0 HE1 HIS A 33 13.665 -16.198 4.782 1.00 64.43 H new ATOM 0 HE2 HIS A 33 11.617 -17.084 3.461 1.00 50.42 H new ATOM 509 N GLY A 34 16.229 -12.686 1.555 1.00 75.21 N ATOM 510 CA GLY A 34 17.121 -12.302 2.635 1.00 51.24 C ATOM 511 C GLY A 34 17.655 -10.883 2.426 1.00 41.32 C ATOM 512 O GLY A 34 18.858 -10.647 2.528 1.00 23.54 O ATOM 0 H GLY A 34 16.698 -12.962 0.692 1.00 75.21 H new ATOM 0 HA2 GLY A 34 16.592 -12.359 3.586 1.00 51.24 H new ATOM 0 HA3 GLY A 34 17.954 -13.003 2.691 1.00 51.24 H new ATOM 516 N LEU A 35 16.735 -9.975 2.136 1.00 32.14 N ATOM 517 CA LEU A 35 17.098 -8.586 1.911 1.00 14.33 C ATOM 518 C LEU A 35 17.054 -7.830 3.240 1.00 14.32 C ATOM 519 O LEU A 35 18.096 -7.515 3.814 1.00 23.33 O ATOM 520 CB LEU A 35 16.215 -7.970 0.824 1.00 1.34 C ATOM 521 CG LEU A 35 16.543 -6.529 0.430 1.00 70.13 C ATOM 522 CD1 LEU A 35 17.767 -6.476 -0.487 1.00 23.22 C ATOM 523 CD2 LEU A 35 15.328 -5.842 -0.196 1.00 20.03 C ATOM 0 H LEU A 35 15.738 -10.174 2.052 1.00 32.14 H new ATOM 0 HA LEU A 35 18.119 -8.516 1.537 1.00 14.33 H new ATOM 0 HB2 LEU A 35 16.282 -8.594 -0.067 1.00 1.34 H new ATOM 0 HB3 LEU A 35 15.179 -8.007 1.161 1.00 1.34 H new ATOM 0 HG LEU A 35 16.795 -5.976 1.335 1.00 70.13 H new ATOM 0 HD11 LEU A 35 17.978 -5.440 -0.752 1.00 23.22 H new ATOM 0 HD12 LEU A 35 18.627 -6.901 0.030 1.00 23.22 H new ATOM 0 HD13 LEU A 35 17.568 -7.049 -1.393 1.00 23.22 H new ATOM 0 HD21 LEU A 35 15.588 -4.819 -0.467 1.00 20.03 H new ATOM 0 HD22 LEU A 35 15.022 -6.387 -1.089 1.00 20.03 H new ATOM 0 HD23 LEU A 35 14.507 -5.830 0.521 1.00 20.03 H new ATOM 535 N PHE A 36 15.838 -7.562 3.692 1.00 5.35 N ATOM 536 CA PHE A 36 15.644 -6.848 4.944 1.00 22.24 C ATOM 537 C PHE A 36 16.214 -7.642 6.120 1.00 61.41 C ATOM 538 O PHE A 36 15.719 -8.721 6.444 1.00 2.04 O ATOM 539 CB PHE A 36 14.136 -6.685 5.136 1.00 52.13 C ATOM 540 CG PHE A 36 13.512 -5.591 4.268 1.00 23.51 C ATOM 541 CD1 PHE A 36 13.242 -5.835 2.957 1.00 33.42 C ATOM 542 CD2 PHE A 36 13.227 -4.376 4.805 1.00 23.43 C ATOM 543 CE1 PHE A 36 12.663 -4.819 2.150 1.00 1.43 C ATOM 544 CE2 PHE A 36 12.648 -3.360 4.000 1.00 12.33 C ATOM 545 CZ PHE A 36 12.379 -3.603 2.689 1.00 2.54 C ATOM 0 H PHE A 36 14.977 -7.826 3.214 1.00 5.35 H new ATOM 0 HA PHE A 36 16.155 -5.886 4.908 1.00 22.24 H new ATOM 0 HB2 PHE A 36 13.647 -7.634 4.914 1.00 52.13 H new ATOM 0 HB3 PHE A 36 13.936 -6.461 6.184 1.00 52.13 H new ATOM 0 HD1 PHE A 36 13.468 -6.801 2.530 1.00 33.42 H new ATOM 0 HD2 PHE A 36 13.441 -4.183 5.846 1.00 23.43 H new ATOM 0 HE1 PHE A 36 12.449 -5.012 1.109 1.00 1.43 H new ATOM 0 HE2 PHE A 36 12.421 -2.395 4.428 1.00 12.33 H new ATOM 0 HZ PHE A 36 11.940 -2.830 2.076 1.00 2.54 H new ATOM 555 N GLY A 37 17.247 -7.078 6.729 1.00 15.13 N ATOM 556 CA GLY A 37 17.889 -7.720 7.863 1.00 44.23 C ATOM 557 C GLY A 37 19.101 -8.539 7.415 1.00 13.23 C ATOM 558 O GLY A 37 19.332 -9.637 7.920 1.00 33.14 O ATOM 0 H GLY A 37 17.655 -6.183 6.458 1.00 15.13 H new ATOM 0 HA2 GLY A 37 18.202 -6.965 8.584 1.00 44.23 H new ATOM 0 HA3 GLY A 37 17.175 -8.368 8.371 1.00 44.23 H new ATOM 562 N ARG A 38 19.842 -7.975 6.474 1.00 71.12 N ATOM 563 CA ARG A 38 21.024 -8.640 5.953 1.00 72.15 C ATOM 564 C ARG A 38 22.069 -7.607 5.524 1.00 53.24 C ATOM 565 O ARG A 38 21.809 -6.783 4.648 1.00 74.14 O ATOM 566 CB ARG A 38 20.674 -9.528 4.757 1.00 13.11 C ATOM 567 CG ARG A 38 21.769 -10.568 4.507 1.00 61.12 C ATOM 568 CD ARG A 38 21.226 -11.753 3.706 1.00 23.15 C ATOM 569 NE ARG A 38 20.052 -12.335 4.394 1.00 44.20 N ATOM 570 CZ ARG A 38 20.131 -13.160 5.459 1.00 15.22 C ATOM 571 NH1 ARG A 38 21.331 -13.508 5.969 1.00 2.45 N ATOM 572 NH2 ARG A 38 19.015 -13.620 5.995 1.00 43.34 N1+ ATOM 0 H ARG A 38 19.647 -7.064 6.058 1.00 71.12 H new ATOM 0 HA ARG A 38 21.431 -9.265 6.748 1.00 72.15 H new ATOM 0 HB2 ARG A 38 19.724 -10.031 4.939 1.00 13.11 H new ATOM 0 HB3 ARG A 38 20.543 -8.911 3.868 1.00 13.11 H new ATOM 0 HG2 ARG A 38 22.596 -10.108 3.967 1.00 61.12 H new ATOM 0 HG3 ARG A 38 22.166 -10.919 5.459 1.00 61.12 H new ATOM 0 HD2 ARG A 38 20.946 -11.427 2.704 1.00 23.15 H new ATOM 0 HD3 ARG A 38 22.002 -12.510 3.590 1.00 23.15 H new ATOM 0 HE ARG A 38 19.125 -12.098 4.041 1.00 44.20 H new ATOM 0 HH11 ARG A 38 22.188 -13.147 5.549 1.00 2.45 H new ATOM 0 HH12 ARG A 38 21.381 -14.132 6.774 1.00 2.45 H new ATOM 0 HH21 ARG A 38 18.112 -13.351 5.604 1.00 43.34 H new ATOM 0 HH22 ARG A 38 19.056 -14.245 6.800 1.00 43.34 H new ATOM 585 N LYS A 39 23.228 -7.685 6.160 1.00 1.25 N ATOM 586 CA LYS A 39 24.312 -6.768 5.855 1.00 23.04 C ATOM 587 C LYS A 39 24.765 -6.982 4.409 1.00 30.04 C ATOM 588 O LYS A 39 24.163 -7.766 3.676 1.00 3.20 O ATOM 589 CB LYS A 39 25.440 -6.913 6.879 1.00 65.41 C ATOM 590 CG LYS A 39 25.223 -5.976 8.069 1.00 52.45 C ATOM 591 CD LYS A 39 25.939 -6.499 9.317 1.00 54.13 C ATOM 592 CE LYS A 39 25.029 -7.432 10.119 1.00 12.24 C ATOM 593 NZ LYS A 39 25.761 -8.000 11.275 1.00 2.13 N1+ ATOM 0 H LYS A 39 23.440 -8.370 6.886 1.00 1.25 H new ATOM 0 HA LYS A 39 23.970 -5.736 5.933 1.00 23.04 H new ATOM 0 HB2 LYS A 39 25.489 -7.945 7.228 1.00 65.41 H new ATOM 0 HB3 LYS A 39 26.396 -6.691 6.406 1.00 65.41 H new ATOM 0 HG2 LYS A 39 25.592 -4.980 7.824 1.00 52.45 H new ATOM 0 HG3 LYS A 39 24.156 -5.880 8.271 1.00 52.45 H new ATOM 0 HD2 LYS A 39 26.845 -7.030 9.025 1.00 54.13 H new ATOM 0 HD3 LYS A 39 26.248 -5.661 9.942 1.00 54.13 H new ATOM 0 HE2 LYS A 39 24.154 -6.885 10.468 1.00 12.24 H new ATOM 0 HE3 LYS A 39 24.667 -8.237 9.479 1.00 12.24 H new ATOM 0 HZ1 LYS A 39 25.130 -8.631 11.809 1.00 2.13 H new ATOM 0 HZ2 LYS A 39 26.583 -8.539 10.935 1.00 2.13 H new ATOM 0 HZ3 LYS A 39 26.085 -7.229 11.894 1.00 2.13 H new ATOM 606 N THR A 40 25.821 -6.271 4.041 1.00 35.13 N ATOM 607 CA THR A 40 26.360 -6.373 2.696 1.00 75.44 C ATOM 608 C THR A 40 27.323 -7.558 2.596 1.00 43.11 C ATOM 609 O THR A 40 28.305 -7.628 3.332 1.00 72.31 O ATOM 610 CB THR A 40 27.008 -5.032 2.344 1.00 74.21 C ATOM 611 OG1 THR A 40 27.636 -4.621 3.554 1.00 42.25 O ATOM 612 CG2 THR A 40 25.976 -3.938 2.069 1.00 52.34 C ATOM 0 H THR A 40 26.318 -5.622 4.651 1.00 35.13 H new ATOM 0 HA THR A 40 25.573 -6.572 1.968 1.00 75.44 H new ATOM 0 HB THR A 40 27.647 -5.156 1.470 1.00 74.21 H new ATOM 0 HG1 THR A 40 28.538 -5.002 3.600 1.00 42.25 H new ATOM 0 HG21 THR A 40 26.488 -3.008 1.824 1.00 52.34 H new ATOM 0 HG22 THR A 40 25.345 -4.236 1.232 1.00 52.34 H new ATOM 0 HG23 THR A 40 25.358 -3.790 2.955 1.00 52.34 H new ATOM 620 N GLY A 41 27.006 -8.461 1.679 1.00 61.55 N ATOM 621 CA GLY A 41 27.830 -9.639 1.473 1.00 62.50 C ATOM 622 C GLY A 41 27.665 -10.633 2.626 1.00 21.13 C ATOM 623 O GLY A 41 28.642 -10.997 3.280 1.00 23.11 O ATOM 0 H GLY A 41 26.190 -8.400 1.071 1.00 61.55 H new ATOM 0 HA2 GLY A 41 27.557 -10.118 0.533 1.00 62.50 H new ATOM 0 HA3 GLY A 41 28.876 -9.345 1.389 1.00 62.50 H new ATOM 627 N GLN A 42 26.424 -11.041 2.840 1.00 20.11 N ATOM 628 CA GLN A 42 26.118 -11.984 3.902 1.00 50.44 C ATOM 629 C GLN A 42 25.705 -13.333 3.312 1.00 23.41 C ATOM 630 O GLN A 42 26.030 -14.383 3.866 1.00 22.22 O ATOM 631 CB GLN A 42 25.031 -11.435 4.828 1.00 22.15 C ATOM 632 CG GLN A 42 25.379 -10.024 5.306 1.00 43.33 C ATOM 633 CD GLN A 42 26.682 -10.023 6.108 1.00 74.22 C ATOM 634 OE1 GLN A 42 27.709 -9.467 5.471 1.00 53.24 O flip ATOM 635 NE2 GLN A 42 26.750 -10.495 7.231 1.00 55.35 N flip ATOM 0 H GLN A 42 25.617 -10.736 2.296 1.00 20.11 H new ATOM 0 HA GLN A 42 27.018 -12.131 4.500 1.00 50.44 H new ATOM 0 HB2 GLN A 42 24.075 -11.420 4.304 1.00 22.15 H new ATOM 0 HB3 GLN A 42 24.913 -12.095 5.687 1.00 22.15 H new ATOM 0 HG2 GLN A 42 25.475 -9.359 4.448 1.00 43.33 H new ATOM 0 HG3 GLN A 42 24.568 -9.634 5.922 1.00 43.33 H new ATOM 0 HE21 GLN A 42 25.922 -10.907 7.662 1.00 55.35 H new ATOM 0 HE22 GLN A 42 27.634 -10.477 7.739 1.00 55.35 H new ATOM 644 N ALA A 43 24.996 -13.262 2.195 1.00 70.23 N ATOM 645 CA ALA A 43 24.536 -14.466 1.523 1.00 30.12 C ATOM 646 C ALA A 43 25.633 -15.529 1.581 1.00 64.14 C ATOM 647 O ALA A 43 26.579 -15.493 0.795 1.00 13.20 O ATOM 648 CB ALA A 43 24.128 -14.125 0.088 1.00 22.12 C ATOM 0 H ALA A 43 24.729 -12.390 1.738 1.00 70.23 H new ATOM 0 HA ALA A 43 23.658 -14.873 2.024 1.00 30.12 H new ATOM 0 HB1 ALA A 43 23.783 -15.028 -0.416 1.00 22.12 H new ATOM 0 HB2 ALA A 43 23.325 -13.388 0.103 1.00 22.12 H new ATOM 0 HB3 ALA A 43 24.985 -13.716 -0.447 1.00 22.12 H new ATOM 654 N PRO A 44 25.468 -16.475 2.544 1.00 21.12 N ATOM 655 CA PRO A 44 26.434 -17.547 2.714 1.00 3.52 C ATOM 656 C PRO A 44 26.290 -18.596 1.609 1.00 70.11 C ATOM 657 O PRO A 44 27.042 -19.568 1.570 1.00 13.44 O ATOM 658 CB PRO A 44 26.163 -18.104 4.102 1.00 43.33 C ATOM 659 CG PRO A 44 24.763 -17.640 4.471 1.00 50.30 C ATOM 660 CD PRO A 44 24.361 -16.549 3.492 1.00 14.51 C ATOM 0 HA PRO A 44 27.465 -17.202 2.632 1.00 3.52 H new ATOM 0 HB2 PRO A 44 26.228 -19.192 4.106 1.00 43.33 H new ATOM 0 HB3 PRO A 44 26.897 -17.739 4.820 1.00 43.33 H new ATOM 0 HG2 PRO A 44 24.060 -18.472 4.425 1.00 50.30 H new ATOM 0 HG3 PRO A 44 24.743 -17.262 5.493 1.00 50.30 H new ATOM 0 HD2 PRO A 44 23.425 -16.793 2.989 1.00 14.51 H new ATOM 0 HD3 PRO A 44 24.211 -15.597 4.000 1.00 14.51 H new ATOM 668 N GLY A 45 25.318 -18.363 0.739 1.00 63.41 N ATOM 669 CA GLY A 45 25.066 -19.275 -0.362 1.00 62.30 C ATOM 670 C GLY A 45 25.604 -18.709 -1.678 1.00 51.31 C ATOM 671 O GLY A 45 25.661 -19.414 -2.684 1.00 1.41 O ATOM 0 H GLY A 45 24.696 -17.555 0.775 1.00 63.41 H new ATOM 0 HA2 GLY A 45 25.536 -20.237 -0.157 1.00 62.30 H new ATOM 0 HA3 GLY A 45 23.995 -19.456 -0.451 1.00 62.30 H new ATOM 675 N TYR A 46 25.986 -17.441 -1.627 1.00 31.42 N ATOM 676 CA TYR A 46 26.517 -16.772 -2.802 1.00 33.33 C ATOM 677 C TYR A 46 27.427 -15.608 -2.405 1.00 21.45 C ATOM 678 O TYR A 46 27.112 -14.855 -1.485 1.00 53.01 O ATOM 679 CB TYR A 46 25.306 -16.223 -3.558 1.00 11.41 C ATOM 680 CG TYR A 46 25.624 -15.742 -4.975 1.00 3.21 C ATOM 681 CD1 TYR A 46 26.415 -16.511 -5.805 1.00 70.24 C ATOM 682 CD2 TYR A 46 25.119 -14.538 -5.425 1.00 42.12 C ATOM 683 CE1 TYR A 46 26.714 -16.058 -7.138 1.00 41.12 C ATOM 684 CE2 TYR A 46 25.418 -14.085 -6.759 1.00 4.30 C ATOM 685 CZ TYR A 46 26.200 -14.868 -7.550 1.00 64.21 C ATOM 686 OH TYR A 46 26.483 -14.439 -8.810 1.00 73.20 O ATOM 0 H TYR A 46 25.938 -16.860 -0.790 1.00 31.42 H new ATOM 0 HA TYR A 46 27.107 -17.463 -3.404 1.00 33.33 H new ATOM 0 HB2 TYR A 46 24.542 -16.998 -3.611 1.00 11.41 H new ATOM 0 HB3 TYR A 46 24.881 -15.395 -2.991 1.00 11.41 H new ATOM 0 HD1 TYR A 46 26.810 -17.453 -5.454 1.00 70.24 H new ATOM 0 HD2 TYR A 46 24.500 -13.936 -4.776 1.00 42.12 H new ATOM 0 HE1 TYR A 46 27.333 -16.650 -7.796 1.00 41.12 H new ATOM 0 HE2 TYR A 46 25.030 -13.145 -7.123 1.00 4.30 H new ATOM 0 HH TYR A 46 25.764 -13.852 -9.125 1.00 73.20 H new ATOM 696 N SER A 47 28.537 -15.496 -3.118 1.00 61.13 N ATOM 697 CA SER A 47 29.495 -14.436 -2.853 1.00 50.02 C ATOM 698 C SER A 47 29.476 -13.416 -3.992 1.00 61.25 C ATOM 699 O SER A 47 29.301 -13.780 -5.154 1.00 74.42 O ATOM 700 CB SER A 47 30.905 -15.000 -2.668 1.00 64.01 C ATOM 701 OG SER A 47 30.923 -16.114 -1.778 1.00 62.20 O ATOM 0 H SER A 47 28.795 -16.123 -3.880 1.00 61.13 H new ATOM 0 HA SER A 47 29.208 -13.940 -1.926 1.00 50.02 H new ATOM 0 HB2 SER A 47 31.304 -15.303 -3.636 1.00 64.01 H new ATOM 0 HB3 SER A 47 31.560 -14.218 -2.284 1.00 64.01 H new ATOM 0 HG SER A 47 31.841 -16.446 -1.688 1.00 62.20 H new ATOM 707 N TYR A 48 29.659 -12.157 -3.621 1.00 23.43 N ATOM 708 CA TYR A 48 29.665 -11.081 -4.597 1.00 51.03 C ATOM 709 C TYR A 48 31.092 -10.604 -4.878 1.00 50.11 C ATOM 710 O TYR A 48 32.055 -11.195 -4.391 1.00 44.52 O ATOM 711 CB TYR A 48 28.871 -9.935 -3.967 1.00 20.35 C ATOM 712 CG TYR A 48 27.669 -10.393 -3.139 1.00 25.13 C ATOM 713 CD1 TYR A 48 27.047 -11.590 -3.428 1.00 3.33 C ATOM 714 CD2 TYR A 48 27.205 -9.607 -2.103 1.00 40.21 C ATOM 715 CE1 TYR A 48 25.916 -12.021 -2.648 1.00 31.53 C ATOM 716 CE2 TYR A 48 26.073 -10.037 -1.324 1.00 74.50 C ATOM 717 CZ TYR A 48 25.484 -11.222 -1.635 1.00 31.14 C ATOM 718 OH TYR A 48 24.416 -11.629 -0.899 1.00 23.04 O ATOM 0 H TYR A 48 29.804 -11.858 -2.657 1.00 23.43 H new ATOM 0 HA TYR A 48 29.236 -11.417 -5.541 1.00 51.03 H new ATOM 0 HB2 TYR A 48 29.537 -9.352 -3.331 1.00 20.35 H new ATOM 0 HB3 TYR A 48 28.523 -9.270 -4.757 1.00 20.35 H new ATOM 0 HD1 TYR A 48 27.409 -12.204 -4.240 1.00 3.33 H new ATOM 0 HD2 TYR A 48 27.691 -8.670 -1.877 1.00 40.21 H new ATOM 0 HE1 TYR A 48 25.422 -12.957 -2.862 1.00 31.53 H new ATOM 0 HE2 TYR A 48 25.700 -9.432 -0.511 1.00 74.50 H new ATOM 0 HH TYR A 48 24.220 -10.960 -0.210 1.00 23.04 H new ATOM 728 N THR A 49 31.182 -9.540 -5.662 1.00 5.20 N ATOM 729 CA THR A 49 32.474 -8.976 -6.014 1.00 43.03 C ATOM 730 C THR A 49 33.157 -8.394 -4.775 1.00 11.41 C ATOM 731 O THR A 49 32.600 -8.433 -3.679 1.00 40.24 O ATOM 732 CB THR A 49 32.255 -7.950 -7.127 1.00 0.23 C ATOM 733 OG1 THR A 49 31.361 -7.001 -6.553 1.00 65.43 O ATOM 734 CG2 THR A 49 31.478 -8.526 -8.311 1.00 63.33 C ATOM 0 H THR A 49 30.381 -9.053 -6.064 1.00 5.20 H new ATOM 0 HA THR A 49 33.152 -9.743 -6.389 1.00 43.03 H new ATOM 0 HB THR A 49 33.220 -7.579 -7.473 1.00 0.23 H new ATOM 0 HG1 THR A 49 30.441 -7.219 -6.812 1.00 65.43 H new ATOM 0 HG21 THR A 49 31.351 -7.756 -9.072 1.00 63.33 H new ATOM 0 HG22 THR A 49 32.029 -9.366 -8.734 1.00 63.33 H new ATOM 0 HG23 THR A 49 30.500 -8.867 -7.973 1.00 63.33 H new ATOM 742 N ALA A 50 34.354 -7.867 -4.990 1.00 63.11 N ATOM 743 CA ALA A 50 35.118 -7.277 -3.905 1.00 4.40 C ATOM 744 C ALA A 50 34.768 -5.793 -3.787 1.00 24.52 C ATOM 745 O ALA A 50 35.439 -5.047 -3.077 1.00 65.45 O ATOM 746 CB ALA A 50 36.611 -7.507 -4.147 1.00 22.44 C ATOM 0 H ALA A 50 34.813 -7.837 -5.900 1.00 63.11 H new ATOM 0 HA ALA A 50 34.865 -7.751 -2.957 1.00 4.40 H new ATOM 0 HB1 ALA A 50 37.184 -7.064 -3.332 1.00 22.44 H new ATOM 0 HB2 ALA A 50 36.812 -8.577 -4.192 1.00 22.44 H new ATOM 0 HB3 ALA A 50 36.902 -7.044 -5.090 1.00 22.44 H new ATOM 752 N ALA A 51 33.716 -5.408 -4.495 1.00 22.13 N ATOM 753 CA ALA A 51 33.267 -4.026 -4.479 1.00 24.51 C ATOM 754 C ALA A 51 32.132 -3.875 -3.466 1.00 32.14 C ATOM 755 O ALA A 51 32.120 -2.929 -2.680 1.00 53.32 O ATOM 756 CB ALA A 51 32.847 -3.610 -5.891 1.00 73.13 C ATOM 0 H ALA A 51 33.161 -6.030 -5.084 1.00 22.13 H new ATOM 0 HA ALA A 51 34.075 -3.363 -4.170 1.00 24.51 H new ATOM 0 HB1 ALA A 51 32.510 -2.573 -5.880 1.00 73.13 H new ATOM 0 HB2 ALA A 51 33.696 -3.708 -6.567 1.00 73.13 H new ATOM 0 HB3 ALA A 51 32.035 -4.252 -6.233 1.00 73.13 H new ATOM 762 N ASN A 52 31.206 -4.821 -3.516 1.00 72.12 N ATOM 763 CA ASN A 52 30.069 -4.804 -2.610 1.00 72.03 C ATOM 764 C ASN A 52 30.461 -5.477 -1.294 1.00 44.33 C ATOM 765 O ASN A 52 30.186 -4.950 -0.217 1.00 21.23 O ATOM 766 CB ASN A 52 28.884 -5.571 -3.201 1.00 71.24 C ATOM 767 CG ASN A 52 27.599 -5.276 -2.424 1.00 1.21 C ATOM 768 OD1 ASN A 52 26.721 -4.559 -2.874 1.00 10.34 O ATOM 769 ND2 ASN A 52 27.538 -5.869 -1.235 1.00 51.41 N ATOM 0 H ASN A 52 31.219 -5.604 -4.169 1.00 72.12 H new ATOM 0 HA ASN A 52 29.781 -3.765 -2.448 1.00 72.03 H new ATOM 0 HB2 ASN A 52 28.752 -5.295 -4.247 1.00 71.24 H new ATOM 0 HB3 ASN A 52 29.090 -6.641 -3.177 1.00 71.24 H new ATOM 0 HD21 ASN A 52 26.720 -5.736 -0.640 1.00 51.41 H new ATOM 0 HD22 ASN A 52 28.309 -6.457 -0.918 1.00 51.41 H new ATOM 776 N LYS A 53 31.096 -6.633 -1.423 1.00 31.33 N ATOM 777 CA LYS A 53 31.528 -7.385 -0.257 1.00 23.25 C ATOM 778 C LYS A 53 32.192 -6.433 0.740 1.00 40.10 C ATOM 779 O LYS A 53 32.179 -6.682 1.944 1.00 44.44 O ATOM 780 CB LYS A 53 32.418 -8.557 -0.675 1.00 41.40 C ATOM 781 CG LYS A 53 32.448 -9.635 0.410 1.00 75.03 C ATOM 782 CD LYS A 53 33.730 -10.466 0.321 1.00 74.12 C ATOM 783 CE LYS A 53 33.548 -11.829 0.993 1.00 55.52 C ATOM 784 NZ LYS A 53 32.737 -11.696 2.224 1.00 13.54 N1+ ATOM 0 H LYS A 53 31.322 -7.067 -2.318 1.00 31.33 H new ATOM 0 HA LYS A 53 30.671 -7.830 0.249 1.00 23.25 H new ATOM 0 HB2 LYS A 53 32.049 -8.984 -1.607 1.00 41.40 H new ATOM 0 HB3 LYS A 53 33.430 -8.200 -0.866 1.00 41.40 H new ATOM 0 HG2 LYS A 53 32.380 -9.169 1.393 1.00 75.03 H new ATOM 0 HG3 LYS A 53 31.580 -10.286 0.305 1.00 75.03 H new ATOM 0 HD2 LYS A 53 34.005 -10.606 -0.724 1.00 74.12 H new ATOM 0 HD3 LYS A 53 34.550 -9.928 0.797 1.00 74.12 H new ATOM 0 HE2 LYS A 53 33.062 -12.519 0.303 1.00 55.52 H new ATOM 0 HE3 LYS A 53 34.522 -12.254 1.236 1.00 55.52 H new ATOM 0 HZ1 LYS A 53 32.898 -12.521 2.837 1.00 13.54 H new ATOM 0 HZ2 LYS A 53 33.013 -10.830 2.730 1.00 13.54 H new ATOM 0 HZ3 LYS A 53 31.729 -11.643 1.972 1.00 13.54 H new ATOM 797 N ASN A 54 32.756 -5.362 0.201 1.00 32.11 N ATOM 798 CA ASN A 54 33.424 -4.372 1.028 1.00 62.53 C ATOM 799 C ASN A 54 32.378 -3.599 1.836 1.00 21.52 C ATOM 800 O ASN A 54 32.532 -3.415 3.042 1.00 54.24 O ATOM 801 CB ASN A 54 34.195 -3.367 0.171 1.00 4.13 C ATOM 802 CG ASN A 54 35.412 -2.824 0.923 1.00 23.22 C ATOM 803 OD1 ASN A 54 35.301 -2.048 1.858 1.00 64.31 O ATOM 804 ND2 ASN A 54 36.577 -3.274 0.465 1.00 31.23 N ATOM 0 H ASN A 54 32.764 -5.158 -0.798 1.00 32.11 H new ATOM 0 HA ASN A 54 34.120 -4.895 1.684 1.00 62.53 H new ATOM 0 HB2 ASN A 54 34.518 -3.845 -0.754 1.00 4.13 H new ATOM 0 HB3 ASN A 54 33.538 -2.543 -0.108 1.00 4.13 H new ATOM 0 HD21 ASN A 54 37.448 -2.970 0.901 1.00 31.23 H new ATOM 0 HD22 ASN A 54 36.599 -3.923 -0.322 1.00 31.23 H new ATOM 811 N LYS A 55 31.338 -3.168 1.138 1.00 3.10 N ATOM 812 CA LYS A 55 30.268 -2.420 1.776 1.00 52.01 C ATOM 813 C LYS A 55 29.898 -3.093 3.098 1.00 71.13 C ATOM 814 O LYS A 55 30.014 -4.311 3.234 1.00 34.34 O ATOM 815 CB LYS A 55 29.085 -2.255 0.817 1.00 61.43 C ATOM 816 CG LYS A 55 28.281 -0.997 1.151 1.00 35.11 C ATOM 817 CD LYS A 55 29.154 0.255 1.048 1.00 31.33 C ATOM 818 CE LYS A 55 28.306 1.491 0.743 1.00 31.13 C ATOM 819 NZ LYS A 55 28.079 1.618 -0.714 1.00 40.52 N1+ ATOM 0 H LYS A 55 31.213 -3.322 0.137 1.00 3.10 H new ATOM 0 HA LYS A 55 30.599 -1.410 2.015 1.00 52.01 H new ATOM 0 HB2 LYS A 55 29.449 -2.197 -0.209 1.00 61.43 H new ATOM 0 HB3 LYS A 55 28.439 -3.131 0.877 1.00 61.43 H new ATOM 0 HG2 LYS A 55 27.434 -0.911 0.470 1.00 35.11 H new ATOM 0 HG3 LYS A 55 27.873 -1.079 2.159 1.00 35.11 H new ATOM 0 HD2 LYS A 55 29.696 0.403 1.982 1.00 31.33 H new ATOM 0 HD3 LYS A 55 29.900 0.119 0.265 1.00 31.33 H new ATOM 0 HE2 LYS A 55 27.350 1.420 1.261 1.00 31.13 H new ATOM 0 HE3 LYS A 55 28.806 2.384 1.118 1.00 31.13 H new ATOM 0 HZ1 LYS A 55 28.543 2.481 -1.064 1.00 40.52 H new ATOM 0 HZ2 LYS A 55 28.477 0.789 -1.201 1.00 40.52 H new ATOM 0 HZ3 LYS A 55 27.058 1.673 -0.903 1.00 40.52 H new ATOM 832 N GLY A 56 29.460 -2.272 4.042 1.00 14.34 N ATOM 833 CA GLY A 56 29.073 -2.773 5.350 1.00 1.53 C ATOM 834 C GLY A 56 27.858 -2.015 5.888 1.00 71.44 C ATOM 835 O GLY A 56 27.998 -1.133 6.734 1.00 74.10 O ATOM 0 H GLY A 56 29.365 -1.263 3.927 1.00 14.34 H new ATOM 0 HA2 GLY A 56 28.843 -3.836 5.283 1.00 1.53 H new ATOM 0 HA3 GLY A 56 29.907 -2.671 6.044 1.00 1.53 H new ATOM 839 N ILE A 57 26.694 -2.387 5.377 1.00 74.01 N ATOM 840 CA ILE A 57 25.456 -1.754 5.797 1.00 43.32 C ATOM 841 C ILE A 57 24.291 -2.720 5.567 1.00 62.24 C ATOM 842 O ILE A 57 24.466 -3.777 4.964 1.00 3.42 O ATOM 843 CB ILE A 57 25.281 -0.404 5.099 1.00 40.53 C ATOM 844 CG1 ILE A 57 25.195 -0.578 3.581 1.00 32.54 C ATOM 845 CG2 ILE A 57 26.390 0.569 5.503 1.00 3.00 C ATOM 846 CD1 ILE A 57 23.762 -0.889 3.146 1.00 32.33 C ATOM 0 H ILE A 57 26.582 -3.119 4.676 1.00 74.01 H new ATOM 0 HA ILE A 57 25.484 -1.534 6.864 1.00 43.32 H new ATOM 0 HB ILE A 57 24.336 0.030 5.427 1.00 40.53 H new ATOM 0 HG12 ILE A 57 25.540 0.330 3.087 1.00 32.54 H new ATOM 0 HG13 ILE A 57 25.858 -1.384 3.265 1.00 32.54 H new ATOM 0 HG21 ILE A 57 26.242 1.521 4.993 1.00 3.00 H new ATOM 0 HG22 ILE A 57 26.361 0.727 6.581 1.00 3.00 H new ATOM 0 HG23 ILE A 57 27.358 0.154 5.223 1.00 3.00 H new ATOM 0 HD11 ILE A 57 23.728 -1.008 2.063 1.00 32.33 H new ATOM 0 HD12 ILE A 57 23.429 -1.811 3.623 1.00 32.33 H new ATOM 0 HD13 ILE A 57 23.106 -0.070 3.442 1.00 32.33 H new ATOM 858 N ILE A 58 23.128 -2.322 6.062 1.00 34.44 N ATOM 859 CA ILE A 58 21.935 -3.139 5.918 1.00 71.13 C ATOM 860 C ILE A 58 21.187 -2.725 4.649 1.00 61.15 C ATOM 861 O ILE A 58 21.456 -1.666 4.084 1.00 1.32 O ATOM 862 CB ILE A 58 21.080 -3.067 7.186 1.00 10.41 C ATOM 863 CG1 ILE A 58 21.873 -3.536 8.408 1.00 53.34 C ATOM 864 CG2 ILE A 58 19.777 -3.849 7.014 1.00 13.54 C ATOM 865 CD1 ILE A 58 21.757 -5.051 8.588 1.00 42.52 C ATOM 0 H ILE A 58 22.987 -1.445 6.563 1.00 34.44 H new ATOM 0 HA ILE A 58 22.205 -4.189 5.801 1.00 71.13 H new ATOM 0 HB ILE A 58 20.809 -2.025 7.357 1.00 10.41 H new ATOM 0 HG12 ILE A 58 22.921 -3.259 8.294 1.00 53.34 H new ATOM 0 HG13 ILE A 58 21.505 -3.031 9.301 1.00 53.34 H new ATOM 0 HG21 ILE A 58 19.189 -3.781 7.929 1.00 13.54 H new ATOM 0 HG22 ILE A 58 19.208 -3.429 6.185 1.00 13.54 H new ATOM 0 HG23 ILE A 58 20.005 -4.894 6.805 1.00 13.54 H new ATOM 0 HD11 ILE A 58 22.330 -5.358 9.463 1.00 42.52 H new ATOM 0 HD12 ILE A 58 20.710 -5.322 8.726 1.00 42.52 H new ATOM 0 HD13 ILE A 58 22.149 -5.554 7.704 1.00 42.52 H new ATOM 877 N TRP A 59 20.265 -3.581 4.238 1.00 12.43 N ATOM 878 CA TRP A 59 19.477 -3.317 3.046 1.00 31.13 C ATOM 879 C TRP A 59 18.061 -2.944 3.488 1.00 62.44 C ATOM 880 O TRP A 59 17.168 -3.791 3.507 1.00 4.32 O ATOM 881 CB TRP A 59 19.509 -4.512 2.092 1.00 3.14 C ATOM 882 CG TRP A 59 20.827 -4.667 1.331 1.00 60.14 C ATOM 883 CD1 TRP A 59 21.623 -5.743 1.268 1.00 33.12 C ATOM 884 CD2 TRP A 59 21.476 -3.662 0.523 1.00 22.32 C ATOM 885 NE1 TRP A 59 22.732 -5.507 0.481 1.00 43.14 N ATOM 886 CE2 TRP A 59 22.640 -4.202 0.014 1.00 22.33 C ATOM 887 CE3 TRP A 59 21.092 -2.342 0.231 1.00 1.23 C ATOM 888 CZ2 TRP A 59 23.514 -3.492 -0.818 1.00 75.24 C ATOM 889 CZ3 TRP A 59 21.976 -1.645 -0.601 1.00 14.52 C ATOM 890 CH2 TRP A 59 23.152 -2.173 -1.122 1.00 62.15 C ATOM 0 H TRP A 59 20.045 -4.459 4.709 1.00 12.43 H new ATOM 0 HA TRP A 59 19.897 -2.483 2.483 1.00 31.13 H new ATOM 0 HB2 TRP A 59 19.321 -5.423 2.661 1.00 3.14 H new ATOM 0 HB3 TRP A 59 18.696 -4.411 1.373 1.00 3.14 H new ATOM 0 HD1 TRP A 59 21.422 -6.678 1.770 1.00 33.12 H new ATOM 0 HE1 TRP A 59 23.481 -6.169 0.279 1.00 43.14 H new ATOM 0 HE3 TRP A 59 20.186 -1.900 0.618 1.00 1.23 H new ATOM 0 HZ2 TRP A 59 24.419 -3.937 -1.205 1.00 75.24 H new ATOM 0 HZ3 TRP A 59 21.727 -0.626 -0.856 1.00 14.52 H new ATOM 0 HH2 TRP A 59 23.783 -1.570 -1.758 1.00 62.15 H new ATOM 901 N GLY A 60 17.898 -1.675 3.832 1.00 60.12 N ATOM 902 CA GLY A 60 16.606 -1.179 4.274 1.00 61.54 C ATOM 903 C GLY A 60 15.832 -0.553 3.111 1.00 2.44 C ATOM 904 O GLY A 60 16.097 -0.859 1.949 1.00 64.10 O ATOM 0 H GLY A 60 18.640 -0.975 3.813 1.00 60.12 H new ATOM 0 HA2 GLY A 60 16.026 -1.996 4.703 1.00 61.54 H new ATOM 0 HA3 GLY A 60 16.747 -0.439 5.062 1.00 61.54 H new ATOM 908 N GLU A 61 14.892 0.311 3.463 1.00 1.02 N ATOM 909 CA GLU A 61 14.078 0.981 2.463 1.00 43.51 C ATOM 910 C GLU A 61 14.769 2.263 1.991 1.00 54.24 C ATOM 911 O GLU A 61 14.880 2.505 0.790 1.00 64.13 O ATOM 912 CB GLU A 61 12.679 1.280 3.006 1.00 4.31 C ATOM 913 CG GLU A 61 12.071 0.041 3.665 1.00 42.02 C ATOM 914 CD GLU A 61 12.466 -0.045 5.140 1.00 40.13 C ATOM 915 OE1 GLU A 61 11.780 0.528 6.000 1.00 42.11 O ATOM 916 OE2 GLU A 61 13.527 -0.738 5.381 1.00 53.22 O1- ATOM 0 H GLU A 61 14.676 0.563 4.427 1.00 1.02 H new ATOM 0 HA GLU A 61 13.965 0.315 1.607 1.00 43.51 H new ATOM 0 HB2 GLU A 61 12.732 2.093 3.730 1.00 4.31 H new ATOM 0 HB3 GLU A 61 12.035 1.618 2.195 1.00 4.31 H new ATOM 0 HG2 GLU A 61 10.985 0.074 3.577 1.00 42.02 H new ATOM 0 HG3 GLU A 61 12.406 -0.855 3.142 1.00 42.02 H new ATOM 924 N ASP A 62 15.215 3.049 2.959 1.00 41.03 N ATOM 925 CA ASP A 62 15.891 4.299 2.657 1.00 11.04 C ATOM 926 C ASP A 62 17.186 4.003 1.899 1.00 64.11 C ATOM 927 O ASP A 62 17.569 4.751 1.000 1.00 4.51 O ATOM 928 CB ASP A 62 16.254 5.053 3.938 1.00 52.14 C ATOM 929 CG ASP A 62 15.153 5.961 4.487 1.00 62.42 C ATOM 930 OD1 ASP A 62 15.123 6.274 5.687 1.00 35.04 O ATOM 931 OD2 ASP A 62 14.288 6.358 3.616 1.00 62.51 O1- ATOM 0 H ASP A 62 15.121 2.844 3.954 1.00 41.03 H new ATOM 0 HA ASP A 62 15.217 4.911 2.058 1.00 11.04 H new ATOM 0 HB2 ASP A 62 16.522 4.327 4.706 1.00 52.14 H new ATOM 0 HB3 ASP A 62 17.141 5.657 3.747 1.00 52.14 H new ATOM 937 N THR A 63 17.826 2.909 2.288 1.00 73.22 N ATOM 938 CA THR A 63 19.070 2.505 1.658 1.00 3.24 C ATOM 939 C THR A 63 18.835 2.163 0.184 1.00 11.02 C ATOM 940 O THR A 63 19.360 2.834 -0.703 1.00 1.20 O ATOM 941 CB THR A 63 19.654 1.344 2.464 1.00 40.22 C ATOM 942 OG1 THR A 63 18.609 0.376 2.486 1.00 4.21 O ATOM 943 CG2 THR A 63 19.863 1.702 3.937 1.00 44.33 C ATOM 0 H THR A 63 17.505 2.290 3.033 1.00 73.22 H new ATOM 0 HA THR A 63 19.796 3.318 1.660 1.00 3.24 H new ATOM 0 HB THR A 63 20.605 1.039 2.026 1.00 40.22 H new ATOM 0 HG1 THR A 63 18.861 -0.390 1.929 1.00 4.21 H new ATOM 0 HG21 THR A 63 20.279 0.844 4.465 1.00 44.33 H new ATOM 0 HG22 THR A 63 20.552 2.543 4.013 1.00 44.33 H new ATOM 0 HG23 THR A 63 18.907 1.974 4.384 1.00 44.33 H new ATOM 951 N LEU A 64 18.045 1.121 -0.029 1.00 10.45 N ATOM 952 CA LEU A 64 17.734 0.683 -1.379 1.00 43.40 C ATOM 953 C LEU A 64 17.130 1.849 -2.164 1.00 72.41 C ATOM 954 O LEU A 64 17.380 1.994 -3.359 1.00 42.34 O ATOM 955 CB LEU A 64 16.844 -0.562 -1.346 1.00 75.52 C ATOM 956 CG LEU A 64 17.406 -1.767 -0.589 1.00 12.32 C ATOM 957 CD1 LEU A 64 16.321 -2.819 -0.351 1.00 31.02 C ATOM 958 CD2 LEU A 64 18.620 -2.351 -1.313 1.00 20.25 C ATOM 0 H LEU A 64 17.611 0.568 0.710 1.00 10.45 H new ATOM 0 HA LEU A 64 18.643 0.384 -1.901 1.00 43.40 H new ATOM 0 HB2 LEU A 64 15.888 -0.290 -0.898 1.00 75.52 H new ATOM 0 HB3 LEU A 64 16.640 -0.866 -2.373 1.00 75.52 H new ATOM 0 HG LEU A 64 17.746 -1.428 0.389 1.00 12.32 H new ATOM 0 HD11 LEU A 64 16.747 -3.665 0.189 1.00 31.02 H new ATOM 0 HD12 LEU A 64 15.514 -2.382 0.237 1.00 31.02 H new ATOM 0 HD13 LEU A 64 15.929 -3.160 -1.309 1.00 31.02 H new ATOM 0 HD21 LEU A 64 19.000 -3.206 -0.754 1.00 20.25 H new ATOM 0 HD22 LEU A 64 18.328 -2.672 -2.313 1.00 20.25 H new ATOM 0 HD23 LEU A 64 19.398 -1.592 -1.389 1.00 20.25 H new ATOM 970 N MET A 65 16.347 2.652 -1.458 1.00 14.04 N ATOM 971 CA MET A 65 15.706 3.802 -2.074 1.00 64.51 C ATOM 972 C MET A 65 16.730 4.679 -2.798 1.00 44.11 C ATOM 973 O MET A 65 16.370 5.476 -3.662 1.00 35.15 O ATOM 974 CB MET A 65 14.997 4.628 -0.998 1.00 75.32 C ATOM 975 CG MET A 65 13.557 4.150 -0.801 1.00 12.54 C ATOM 976 SD MET A 65 12.454 5.094 -1.840 1.00 72.52 S ATOM 977 CE MET A 65 11.954 3.826 -2.993 1.00 71.41 C ATOM 0 H MET A 65 16.142 2.529 -0.466 1.00 14.04 H new ATOM 0 HA MET A 65 14.982 3.442 -2.805 1.00 64.51 H new ATOM 0 HB2 MET A 65 15.542 4.551 -0.057 1.00 75.32 H new ATOM 0 HB3 MET A 65 14.999 5.680 -1.282 1.00 75.32 H new ATOM 0 HG2 MET A 65 13.480 3.090 -1.043 1.00 12.54 H new ATOM 0 HG3 MET A 65 13.268 4.260 0.244 1.00 12.54 H new ATOM 0 HE1 MET A 65 11.547 4.291 -3.891 1.00 71.41 H new ATOM 0 HE2 MET A 65 12.817 3.216 -3.259 1.00 71.41 H new ATOM 0 HE3 MET A 65 11.192 3.196 -2.533 1.00 71.41 H new ATOM 987 N GLU A 66 17.987 4.502 -2.418 1.00 20.23 N ATOM 988 CA GLU A 66 19.065 5.266 -3.020 1.00 4.35 C ATOM 989 C GLU A 66 19.868 4.387 -3.982 1.00 12.41 C ATOM 990 O GLU A 66 20.146 4.790 -5.110 1.00 31.41 O ATOM 991 CB GLU A 66 19.972 5.874 -1.948 1.00 2.12 C ATOM 992 CG GLU A 66 21.182 6.567 -2.580 1.00 74.21 C ATOM 993 CD GLU A 66 21.920 7.428 -1.553 1.00 11.01 C ATOM 994 OE1 GLU A 66 21.892 8.664 -1.647 1.00 62.03 O ATOM 995 OE2 GLU A 66 22.536 6.769 -0.631 1.00 61.41 O1- ATOM 0 H GLU A 66 18.282 3.840 -1.700 1.00 20.23 H new ATOM 0 HA GLU A 66 18.627 6.087 -3.588 1.00 4.35 H new ATOM 0 HB2 GLU A 66 19.407 6.592 -1.353 1.00 2.12 H new ATOM 0 HB3 GLU A 66 20.311 5.093 -1.267 1.00 2.12 H new ATOM 0 HG2 GLU A 66 21.862 5.819 -2.988 1.00 74.21 H new ATOM 0 HG3 GLU A 66 20.855 7.189 -3.413 1.00 74.21 H new ATOM 1003 N TYR A 67 20.214 3.203 -3.501 1.00 2.54 N ATOM 1004 CA TYR A 67 20.978 2.264 -4.304 1.00 70.14 C ATOM 1005 C TYR A 67 20.291 2.004 -5.647 1.00 15.44 C ATOM 1006 O TYR A 67 20.859 2.280 -6.702 1.00 20.34 O ATOM 1007 CB TYR A 67 21.017 0.959 -3.505 1.00 71.01 C ATOM 1008 CG TYR A 67 21.840 -0.150 -4.163 1.00 33.43 C ATOM 1009 CD1 TYR A 67 22.907 0.173 -4.977 1.00 73.53 C ATOM 1010 CD2 TYR A 67 21.516 -1.473 -3.942 1.00 25.24 C ATOM 1011 CE1 TYR A 67 23.682 -0.870 -5.597 1.00 50.13 C ATOM 1012 CE2 TYR A 67 22.291 -2.517 -4.562 1.00 12.44 C ATOM 1013 CZ TYR A 67 23.336 -2.164 -5.359 1.00 70.00 C ATOM 1014 OH TYR A 67 24.068 -3.150 -5.943 1.00 1.15 O ATOM 0 H TYR A 67 19.979 2.872 -2.565 1.00 2.54 H new ATOM 0 HA TYR A 67 21.973 2.658 -4.511 1.00 70.14 H new ATOM 0 HB2 TYR A 67 21.427 1.163 -2.516 1.00 71.01 H new ATOM 0 HB3 TYR A 67 19.997 0.603 -3.360 1.00 71.01 H new ATOM 0 HD1 TYR A 67 23.161 1.209 -5.149 1.00 73.53 H new ATOM 0 HD2 TYR A 67 20.682 -1.726 -3.304 1.00 25.24 H new ATOM 0 HE1 TYR A 67 24.519 -0.631 -6.236 1.00 50.13 H new ATOM 0 HE2 TYR A 67 22.048 -3.556 -4.398 1.00 12.44 H new ATOM 0 HH TYR A 67 23.707 -4.023 -5.683 1.00 1.15 H new ATOM 1024 N LEU A 68 19.078 1.478 -5.562 1.00 3.24 N ATOM 1025 CA LEU A 68 18.306 1.179 -6.757 1.00 35.25 C ATOM 1026 C LEU A 68 18.074 2.470 -7.545 1.00 53.11 C ATOM 1027 O LEU A 68 17.843 2.430 -8.753 1.00 15.43 O ATOM 1028 CB LEU A 68 17.018 0.440 -6.392 1.00 63.11 C ATOM 1029 CG LEU A 68 17.172 -1.036 -6.023 1.00 65.23 C ATOM 1030 CD1 LEU A 68 16.198 -1.428 -4.910 1.00 12.31 C ATOM 1031 CD2 LEU A 68 17.020 -1.928 -7.257 1.00 71.44 C ATOM 0 H LEU A 68 18.610 1.251 -4.684 1.00 3.24 H new ATOM 0 HA LEU A 68 18.859 0.503 -7.409 1.00 35.25 H new ATOM 0 HB2 LEU A 68 16.552 0.957 -5.553 1.00 63.11 H new ATOM 0 HB3 LEU A 68 16.330 0.513 -7.234 1.00 63.11 H new ATOM 0 HG LEU A 68 18.180 -1.188 -5.637 1.00 65.23 H new ATOM 0 HD11 LEU A 68 16.329 -2.483 -4.667 1.00 12.31 H new ATOM 0 HD12 LEU A 68 16.396 -0.824 -4.024 1.00 12.31 H new ATOM 0 HD13 LEU A 68 15.175 -1.257 -5.245 1.00 12.31 H new ATOM 0 HD21 LEU A 68 17.134 -2.973 -6.967 1.00 71.44 H new ATOM 0 HD22 LEU A 68 16.033 -1.778 -7.695 1.00 71.44 H new ATOM 0 HD23 LEU A 68 17.785 -1.669 -7.989 1.00 71.44 H new ATOM 1043 N GLU A 69 18.143 3.582 -6.830 1.00 15.25 N ATOM 1044 CA GLU A 69 17.943 4.883 -7.447 1.00 72.12 C ATOM 1045 C GLU A 69 19.183 5.287 -8.249 1.00 22.31 C ATOM 1046 O GLU A 69 19.071 5.950 -9.278 1.00 70.33 O ATOM 1047 CB GLU A 69 17.601 5.940 -6.397 1.00 51.12 C ATOM 1048 CG GLU A 69 17.319 7.293 -7.054 1.00 33.34 C ATOM 1049 CD GLU A 69 16.003 7.260 -7.835 1.00 54.43 C ATOM 1050 OE1 GLU A 69 15.092 6.497 -7.482 1.00 2.44 O ATOM 1051 OE2 GLU A 69 15.944 8.067 -8.839 1.00 3.24 O1- ATOM 0 H GLU A 69 18.335 3.610 -5.829 1.00 15.25 H new ATOM 0 HA GLU A 69 17.098 4.813 -8.133 1.00 72.12 H new ATOM 0 HB2 GLU A 69 16.730 5.621 -5.825 1.00 51.12 H new ATOM 0 HB3 GLU A 69 18.427 6.039 -5.692 1.00 51.12 H new ATOM 0 HG2 GLU A 69 17.273 8.070 -6.290 1.00 33.34 H new ATOM 0 HG3 GLU A 69 18.138 7.553 -7.725 1.00 33.34 H new ATOM 1059 N ASN A 70 20.335 4.867 -7.746 1.00 1.34 N ATOM 1060 CA ASN A 70 21.594 5.177 -8.402 1.00 62.35 C ATOM 1061 C ASN A 70 22.671 4.206 -7.914 1.00 55.43 C ATOM 1062 O ASN A 70 23.548 4.584 -7.140 1.00 45.53 O ATOM 1063 CB ASN A 70 22.053 6.598 -8.069 1.00 44.13 C ATOM 1064 CG ASN A 70 20.865 7.561 -8.021 1.00 34.34 C ATOM 1065 OD1 ASN A 70 20.364 7.741 -6.803 1.00 35.54 O flip ATOM 1066 ND2 ASN A 70 20.433 8.106 -9.024 1.00 0.54 N flip ATOM 0 H ASN A 70 20.423 4.315 -6.893 1.00 1.34 H new ATOM 0 HA ASN A 70 21.444 5.089 -9.478 1.00 62.35 H new ATOM 0 HB2 ASN A 70 22.568 6.602 -7.108 1.00 44.13 H new ATOM 0 HB3 ASN A 70 22.770 6.937 -8.816 1.00 44.13 H new ATOM 0 HD21 ASN A 70 20.865 7.923 -9.930 1.00 0.54 H new ATOM 0 HD22 ASN A 70 19.640 8.744 -8.956 1.00 0.54 H new ATOM 1073 N PRO A 71 22.566 2.940 -8.400 1.00 54.04 N ATOM 1074 CA PRO A 71 23.521 1.912 -8.022 1.00 32.44 C ATOM 1075 C PRO A 71 24.857 2.114 -8.739 1.00 41.31 C ATOM 1076 O PRO A 71 25.800 1.353 -8.527 1.00 74.34 O ATOM 1077 CB PRO A 71 22.845 0.598 -8.381 1.00 13.22 C ATOM 1078 CG PRO A 71 21.744 0.951 -9.368 1.00 74.42 C ATOM 1079 CD PRO A 71 21.540 2.457 -9.320 1.00 62.30 C ATOM 0 HA PRO A 71 23.772 1.939 -6.962 1.00 32.44 H new ATOM 0 HB2 PRO A 71 23.557 -0.099 -8.823 1.00 13.22 H new ATOM 0 HB3 PRO A 71 22.434 0.115 -7.494 1.00 13.22 H new ATOM 0 HG2 PRO A 71 22.018 0.635 -10.375 1.00 74.42 H new ATOM 0 HG3 PRO A 71 20.820 0.432 -9.111 1.00 74.42 H new ATOM 0 HD2 PRO A 71 21.652 2.904 -10.308 1.00 62.30 H new ATOM 0 HD3 PRO A 71 20.540 2.710 -8.967 1.00 62.30 H new ATOM 1087 N LYS A 72 24.896 3.143 -9.572 1.00 40.44 N ATOM 1088 CA LYS A 72 26.101 3.455 -10.322 1.00 22.32 C ATOM 1089 C LYS A 72 27.022 4.320 -9.459 1.00 63.53 C ATOM 1090 O LYS A 72 28.211 4.447 -9.749 1.00 45.42 O ATOM 1091 CB LYS A 72 25.746 4.087 -11.668 1.00 54.30 C ATOM 1092 CG LYS A 72 25.588 3.017 -12.751 1.00 41.01 C ATOM 1093 CD LYS A 72 25.450 3.654 -14.135 1.00 72.43 C ATOM 1094 CE LYS A 72 26.739 4.373 -14.539 1.00 51.53 C ATOM 1095 NZ LYS A 72 26.719 5.777 -14.071 1.00 51.14 N1+ ATOM 0 H LYS A 72 24.112 3.772 -9.744 1.00 40.44 H new ATOM 0 HA LYS A 72 26.649 2.543 -10.560 1.00 22.32 H new ATOM 0 HB2 LYS A 72 24.820 4.655 -11.575 1.00 54.30 H new ATOM 0 HB3 LYS A 72 26.524 4.792 -11.959 1.00 54.30 H new ATOM 0 HG2 LYS A 72 26.451 2.351 -12.738 1.00 41.01 H new ATOM 0 HG3 LYS A 72 24.710 2.406 -12.539 1.00 41.01 H new ATOM 0 HD2 LYS A 72 25.212 2.886 -14.871 1.00 72.43 H new ATOM 0 HD3 LYS A 72 24.620 4.361 -14.133 1.00 72.43 H new ATOM 0 HE2 LYS A 72 27.599 3.855 -14.115 1.00 51.53 H new ATOM 0 HE3 LYS A 72 26.853 4.346 -15.623 1.00 51.53 H new ATOM 0 HZ1 LYS A 72 26.813 6.416 -14.886 1.00 51.14 H new ATOM 0 HZ2 LYS A 72 25.820 5.968 -13.583 1.00 51.14 H new ATOM 0 HZ3 LYS A 72 27.510 5.935 -13.414 1.00 51.14 H new ATOM 1108 N LYS A 73 26.439 4.893 -8.417 1.00 4.23 N ATOM 1109 CA LYS A 73 27.192 5.743 -7.511 1.00 34.14 C ATOM 1110 C LYS A 73 27.394 5.012 -6.182 1.00 2.10 C ATOM 1111 O LYS A 73 28.490 5.026 -5.623 1.00 35.44 O ATOM 1112 CB LYS A 73 26.513 7.107 -7.366 1.00 1.20 C ATOM 1113 CG LYS A 73 25.050 6.948 -6.951 1.00 32.13 C ATOM 1114 CD LYS A 73 24.426 8.303 -6.613 1.00 55.50 C ATOM 1115 CE LYS A 73 24.292 9.173 -7.865 1.00 5.11 C ATOM 1116 NZ LYS A 73 25.567 9.863 -8.156 1.00 51.34 N1+ ATOM 0 H LYS A 73 25.453 4.785 -8.180 1.00 4.23 H new ATOM 0 HA LYS A 73 28.183 5.948 -7.916 1.00 34.14 H new ATOM 0 HB2 LYS A 73 27.043 7.704 -6.624 1.00 1.20 H new ATOM 0 HB3 LYS A 73 26.570 7.648 -8.310 1.00 1.20 H new ATOM 0 HG2 LYS A 73 24.489 6.476 -7.757 1.00 32.13 H new ATOM 0 HG3 LYS A 73 24.983 6.287 -6.087 1.00 32.13 H new ATOM 0 HD2 LYS A 73 23.445 8.153 -6.163 1.00 55.50 H new ATOM 0 HD3 LYS A 73 25.041 8.816 -5.873 1.00 55.50 H new ATOM 0 HE2 LYS A 73 24.004 8.555 -8.715 1.00 5.11 H new ATOM 0 HE3 LYS A 73 23.499 9.907 -7.722 1.00 5.11 H new ATOM 0 HZ1 LYS A 73 25.383 10.871 -8.336 1.00 51.34 H new ATOM 0 HZ2 LYS A 73 26.207 9.768 -7.342 1.00 51.34 H new ATOM 0 HZ3 LYS A 73 26.009 9.437 -8.995 1.00 51.34 H new ATOM 1129 N TYR A 74 26.321 4.392 -5.716 1.00 21.02 N ATOM 1130 CA TYR A 74 26.367 3.656 -4.463 1.00 11.41 C ATOM 1131 C TYR A 74 27.502 2.630 -4.470 1.00 42.23 C ATOM 1132 O TYR A 74 28.320 2.597 -3.551 1.00 73.43 O ATOM 1133 CB TYR A 74 25.030 2.919 -4.358 1.00 34.24 C ATOM 1134 CG TYR A 74 24.575 2.660 -2.920 1.00 13.51 C ATOM 1135 CD1 TYR A 74 25.326 1.850 -2.093 1.00 55.13 C ATOM 1136 CD2 TYR A 74 23.411 3.236 -2.452 1.00 0.20 C ATOM 1137 CE1 TYR A 74 24.896 1.607 -0.741 1.00 30.14 C ATOM 1138 CE2 TYR A 74 22.981 2.992 -1.099 1.00 65.02 C ATOM 1139 CZ TYR A 74 23.745 2.190 -0.310 1.00 60.53 C ATOM 1140 OH TYR A 74 23.340 1.960 0.968 1.00 63.13 O ATOM 0 H TYR A 74 25.414 4.384 -6.183 1.00 21.02 H new ATOM 0 HA TYR A 74 26.538 4.333 -3.626 1.00 11.41 H new ATOM 0 HB2 TYR A 74 24.265 3.501 -4.872 1.00 34.24 H new ATOM 0 HB3 TYR A 74 25.110 1.966 -4.881 1.00 34.24 H new ATOM 0 HD1 TYR A 74 26.236 1.399 -2.460 1.00 55.13 H new ATOM 0 HD2 TYR A 74 22.823 3.869 -3.100 1.00 0.20 H new ATOM 0 HE1 TYR A 74 25.475 0.976 -0.083 1.00 30.14 H new ATOM 0 HE2 TYR A 74 22.072 3.436 -0.720 1.00 65.02 H new ATOM 0 HH TYR A 74 22.503 2.441 1.137 1.00 63.13 H new ATOM 1150 N ILE A 75 27.516 1.819 -5.517 1.00 35.22 N ATOM 1151 CA ILE A 75 28.538 0.795 -5.656 1.00 2.31 C ATOM 1152 C ILE A 75 29.028 0.763 -7.105 1.00 30.40 C ATOM 1153 O ILE A 75 28.501 0.013 -7.926 1.00 3.45 O ATOM 1154 CB ILE A 75 28.017 -0.553 -5.154 1.00 64.10 C ATOM 1155 CG1 ILE A 75 27.125 -0.372 -3.924 1.00 71.04 C ATOM 1156 CG2 ILE A 75 29.171 -1.522 -4.886 1.00 52.55 C ATOM 1157 CD1 ILE A 75 26.538 -1.710 -3.471 1.00 1.01 C ATOM 0 H ILE A 75 26.836 1.850 -6.277 1.00 35.22 H new ATOM 0 HA ILE A 75 29.400 1.030 -5.032 1.00 2.31 H new ATOM 0 HB ILE A 75 27.401 -0.994 -5.938 1.00 64.10 H new ATOM 0 HG12 ILE A 75 27.704 0.069 -3.112 1.00 71.04 H new ATOM 0 HG13 ILE A 75 26.318 0.324 -4.155 1.00 71.04 H new ATOM 0 HG21 ILE A 75 28.773 -2.472 -4.530 1.00 52.55 H new ATOM 0 HG22 ILE A 75 29.731 -1.685 -5.807 1.00 52.55 H new ATOM 0 HG23 ILE A 75 29.832 -1.100 -4.130 1.00 52.55 H new ATOM 0 HD11 ILE A 75 25.908 -1.553 -2.595 1.00 1.01 H new ATOM 0 HD12 ILE A 75 25.940 -2.136 -4.276 1.00 1.01 H new ATOM 0 HD13 ILE A 75 27.347 -2.395 -3.218 1.00 1.01 H new ATOM 1169 N PRO A 76 30.057 1.608 -7.383 1.00 75.43 N ATOM 1170 CA PRO A 76 30.624 1.683 -8.718 1.00 60.41 C ATOM 1171 C PRO A 76 31.500 0.464 -9.011 1.00 71.21 C ATOM 1172 O PRO A 76 32.402 0.144 -8.239 1.00 23.43 O ATOM 1173 CB PRO A 76 31.398 2.991 -8.743 1.00 52.32 C ATOM 1174 CG PRO A 76 31.622 3.371 -7.289 1.00 32.44 C ATOM 1175 CD PRO A 76 30.705 2.510 -6.435 1.00 2.31 C ATOM 0 HA PRO A 76 29.864 1.670 -9.499 1.00 60.41 H new ATOM 0 HB2 PRO A 76 32.347 2.873 -9.266 1.00 52.32 H new ATOM 0 HB3 PRO A 76 30.839 3.766 -9.267 1.00 52.32 H new ATOM 0 HG2 PRO A 76 32.664 3.213 -7.009 1.00 32.44 H new ATOM 0 HG3 PRO A 76 31.407 4.428 -7.133 1.00 32.44 H new ATOM 0 HD2 PRO A 76 31.268 1.957 -5.683 1.00 2.31 H new ATOM 0 HD3 PRO A 76 29.973 3.118 -5.903 1.00 2.31 H new ATOM 1183 N GLY A 77 31.205 -0.182 -10.129 1.00 41.14 N ATOM 1184 CA GLY A 77 31.955 -1.359 -10.535 1.00 61.20 C ATOM 1185 C GLY A 77 31.126 -2.631 -10.341 1.00 2.42 C ATOM 1186 O GLY A 77 31.418 -3.663 -10.942 1.00 31.14 O ATOM 0 H GLY A 77 30.456 0.087 -10.767 1.00 41.14 H new ATOM 0 HA2 GLY A 77 32.246 -1.266 -11.581 1.00 61.20 H new ATOM 0 HA3 GLY A 77 32.874 -1.427 -9.953 1.00 61.20 H new ATOM 1190 N THR A 78 30.110 -2.514 -9.499 1.00 45.32 N ATOM 1191 CA THR A 78 29.238 -3.641 -9.218 1.00 52.32 C ATOM 1192 C THR A 78 28.840 -4.345 -10.517 1.00 15.00 C ATOM 1193 O THR A 78 29.038 -3.805 -11.604 1.00 74.51 O ATOM 1194 CB THR A 78 28.042 -3.126 -8.415 1.00 44.04 C ATOM 1195 OG1 THR A 78 27.113 -4.205 -8.443 1.00 51.42 O ATOM 1196 CG2 THR A 78 27.309 -1.985 -9.124 1.00 71.52 C ATOM 0 H THR A 78 29.871 -1.656 -9.002 1.00 45.32 H new ATOM 0 HA THR A 78 29.749 -4.396 -8.620 1.00 52.32 H new ATOM 0 HB THR A 78 28.381 -2.787 -7.436 1.00 44.04 H new ATOM 0 HG1 THR A 78 27.098 -4.647 -7.568 1.00 51.42 H new ATOM 0 HG21 THR A 78 26.469 -1.656 -8.512 1.00 71.52 H new ATOM 0 HG22 THR A 78 27.995 -1.152 -9.277 1.00 71.52 H new ATOM 0 HG23 THR A 78 26.941 -2.333 -10.089 1.00 71.52 H new ATOM 1204 N LYS A 79 28.287 -5.538 -10.360 1.00 35.35 N ATOM 1205 CA LYS A 79 27.859 -6.321 -11.508 1.00 23.13 C ATOM 1206 C LYS A 79 26.415 -5.955 -11.859 1.00 32.14 C ATOM 1207 O LYS A 79 25.941 -6.268 -12.951 1.00 61.34 O ATOM 1208 CB LYS A 79 28.070 -7.813 -11.247 1.00 4.04 C ATOM 1209 CG LYS A 79 29.446 -8.074 -10.633 1.00 33.42 C ATOM 1210 CD LYS A 79 29.939 -9.484 -10.966 1.00 24.30 C ATOM 1211 CE LYS A 79 29.144 -10.539 -10.195 1.00 10.21 C ATOM 1212 NZ LYS A 79 27.952 -10.957 -10.966 1.00 45.34 N1+ ATOM 0 H LYS A 79 28.125 -5.982 -9.456 1.00 35.35 H new ATOM 0 HA LYS A 79 28.469 -6.085 -12.380 1.00 23.13 H new ATOM 0 HB2 LYS A 79 27.293 -8.182 -10.577 1.00 4.04 H new ATOM 0 HB3 LYS A 79 27.974 -8.366 -12.181 1.00 4.04 H new ATOM 0 HG2 LYS A 79 30.159 -7.339 -11.005 1.00 33.42 H new ATOM 0 HG3 LYS A 79 29.395 -7.949 -9.551 1.00 33.42 H new ATOM 0 HD2 LYS A 79 29.844 -9.663 -12.037 1.00 24.30 H new ATOM 0 HD3 LYS A 79 30.998 -9.570 -10.721 1.00 24.30 H new ATOM 0 HE2 LYS A 79 29.776 -11.404 -9.994 1.00 10.21 H new ATOM 0 HE3 LYS A 79 28.837 -10.137 -9.229 1.00 10.21 H new ATOM 0 HZ1 LYS A 79 27.388 -11.622 -10.400 1.00 45.34 H new ATOM 0 HZ2 LYS A 79 27.376 -10.122 -11.194 1.00 45.34 H new ATOM 0 HZ3 LYS A 79 28.253 -11.421 -11.847 1.00 45.34 H new ATOM 1225 N MET A 80 25.758 -5.299 -10.915 1.00 75.05 N ATOM 1226 CA MET A 80 24.378 -4.888 -11.111 1.00 44.10 C ATOM 1227 C MET A 80 24.209 -4.154 -12.444 1.00 15.21 C ATOM 1228 O MET A 80 24.471 -2.957 -12.534 1.00 11.50 O ATOM 1229 CB MET A 80 23.951 -3.971 -9.965 1.00 41.23 C ATOM 1230 CG MET A 80 23.369 -4.778 -8.803 1.00 12.33 C ATOM 1231 SD MET A 80 21.616 -5.017 -9.042 1.00 55.50 S ATOM 1232 CE MET A 80 20.994 -3.528 -8.281 1.00 4.13 C ATOM 0 H MET A 80 26.155 -5.042 -10.012 1.00 75.05 H new ATOM 0 HA MET A 80 23.751 -5.780 -11.127 1.00 44.10 H new ATOM 0 HB2 MET A 80 24.808 -3.394 -9.618 1.00 41.23 H new ATOM 0 HB3 MET A 80 23.210 -3.257 -10.323 1.00 41.23 H new ATOM 0 HG2 MET A 80 23.870 -5.744 -8.733 1.00 12.33 H new ATOM 0 HG3 MET A 80 23.548 -4.257 -7.862 1.00 12.33 H new ATOM 0 HE1 MET A 80 19.906 -3.515 -8.343 1.00 4.13 H new ATOM 0 HE2 MET A 80 21.299 -3.500 -7.235 1.00 4.13 H new ATOM 0 HE3 MET A 80 21.397 -2.658 -8.800 1.00 4.13 H new ATOM 1242 N ILE A 81 23.772 -4.905 -13.444 1.00 73.13 N ATOM 1243 CA ILE A 81 23.565 -4.341 -14.768 1.00 63.41 C ATOM 1244 C ILE A 81 22.261 -3.539 -14.776 1.00 63.43 C ATOM 1245 O ILE A 81 21.360 -3.822 -15.563 1.00 21.32 O ATOM 1246 CB ILE A 81 23.618 -5.438 -15.832 1.00 65.11 C ATOM 1247 CG1 ILE A 81 24.958 -6.176 -15.792 1.00 3.45 C ATOM 1248 CG2 ILE A 81 23.317 -4.870 -17.221 1.00 43.10 C ATOM 1249 CD1 ILE A 81 26.125 -5.188 -15.728 1.00 64.30 C ATOM 0 H ILE A 81 23.556 -5.899 -13.365 1.00 73.13 H new ATOM 0 HA ILE A 81 24.369 -3.648 -15.018 1.00 63.41 H new ATOM 0 HB ILE A 81 22.841 -6.169 -15.608 1.00 65.11 H new ATOM 0 HG12 ILE A 81 24.988 -6.837 -14.926 1.00 3.45 H new ATOM 0 HG13 ILE A 81 25.057 -6.805 -16.676 1.00 3.45 H new ATOM 0 HG21 ILE A 81 23.361 -5.671 -17.959 1.00 43.10 H new ATOM 0 HG22 ILE A 81 22.321 -4.427 -17.225 1.00 43.10 H new ATOM 0 HG23 ILE A 81 24.054 -4.107 -17.470 1.00 43.10 H new ATOM 0 HD11 ILE A 81 27.066 -5.738 -15.700 1.00 64.30 H new ATOM 0 HD12 ILE A 81 26.106 -4.545 -16.608 1.00 64.30 H new ATOM 0 HD13 ILE A 81 26.035 -4.577 -14.830 1.00 64.30 H new ATOM 1261 N PHE A 82 22.205 -2.553 -13.892 1.00 51.30 N ATOM 1262 CA PHE A 82 21.028 -1.707 -13.788 1.00 2.04 C ATOM 1263 C PHE A 82 21.301 -0.316 -14.361 1.00 11.53 C ATOM 1264 O PHE A 82 22.442 0.143 -14.370 1.00 33.35 O ATOM 1265 CB PHE A 82 20.699 -1.580 -12.300 1.00 11.41 C ATOM 1266 CG PHE A 82 19.208 -1.401 -12.005 1.00 52.20 C ATOM 1267 CD1 PHE A 82 18.295 -2.209 -12.606 1.00 64.53 C ATOM 1268 CD2 PHE A 82 18.797 -0.433 -11.141 1.00 24.33 C ATOM 1269 CE1 PHE A 82 16.911 -2.043 -12.332 1.00 62.32 C ATOM 1270 CE2 PHE A 82 17.414 -0.268 -10.868 1.00 21.13 C ATOM 1271 CZ PHE A 82 16.500 -1.076 -11.469 1.00 52.30 C ATOM 0 H PHE A 82 22.956 -2.321 -13.241 1.00 51.30 H new ATOM 0 HA PHE A 82 20.203 -2.145 -14.350 1.00 2.04 H new ATOM 0 HB2 PHE A 82 21.057 -2.470 -11.782 1.00 11.41 H new ATOM 0 HB3 PHE A 82 21.245 -0.731 -11.889 1.00 11.41 H new ATOM 0 HD1 PHE A 82 18.622 -2.977 -13.292 1.00 64.53 H new ATOM 0 HD2 PHE A 82 19.523 0.209 -10.664 1.00 24.33 H new ATOM 0 HE1 PHE A 82 16.185 -2.685 -12.809 1.00 62.32 H new ATOM 0 HE2 PHE A 82 17.087 0.500 -10.182 1.00 21.13 H new ATOM 0 HZ PHE A 82 15.448 -0.950 -11.261 1.00 52.30 H new ATOM 1281 N VAL A 83 20.233 0.319 -14.825 1.00 11.14 N ATOM 1282 CA VAL A 83 20.343 1.649 -15.397 1.00 50.45 C ATOM 1283 C VAL A 83 19.921 2.686 -14.353 1.00 64.23 C ATOM 1284 O VAL A 83 20.396 3.820 -14.373 1.00 22.41 O ATOM 1285 CB VAL A 83 19.526 1.733 -16.688 1.00 72.20 C ATOM 1286 CG1 VAL A 83 20.194 0.940 -17.812 1.00 12.30 C ATOM 1287 CG2 VAL A 83 18.089 1.256 -16.459 1.00 22.20 C ATOM 0 H VAL A 83 19.288 -0.064 -14.816 1.00 11.14 H new ATOM 0 HA VAL A 83 21.377 1.863 -15.668 1.00 50.45 H new ATOM 0 HB VAL A 83 19.488 2.779 -16.993 1.00 72.20 H new ATOM 0 HG11 VAL A 83 19.593 1.016 -18.718 1.00 12.30 H new ATOM 0 HG12 VAL A 83 21.188 1.344 -18.001 1.00 12.30 H new ATOM 0 HG13 VAL A 83 20.277 -0.107 -17.519 1.00 12.30 H new ATOM 0 HG21 VAL A 83 17.529 1.326 -17.392 1.00 22.20 H new ATOM 0 HG22 VAL A 83 18.099 0.221 -16.119 1.00 22.20 H new ATOM 0 HG23 VAL A 83 17.614 1.882 -15.703 1.00 22.20 H new ATOM 1297 N GLY A 84 19.034 2.258 -13.467 1.00 42.12 N ATOM 1298 CA GLY A 84 18.542 3.134 -12.417 1.00 22.32 C ATOM 1299 C GLY A 84 17.079 3.512 -12.659 1.00 4.23 C ATOM 1300 O GLY A 84 16.723 3.965 -13.745 1.00 44.21 O ATOM 0 H GLY A 84 18.643 1.316 -13.454 1.00 42.12 H new ATOM 0 HA2 GLY A 84 18.638 2.639 -11.451 1.00 22.32 H new ATOM 0 HA3 GLY A 84 19.152 4.036 -12.375 1.00 22.32 H new ATOM 1304 N ILE A 85 16.271 3.311 -11.628 1.00 0.21 N ATOM 1305 CA ILE A 85 14.856 3.625 -11.714 1.00 22.34 C ATOM 1306 C ILE A 85 14.647 5.109 -11.409 1.00 73.43 C ATOM 1307 O ILE A 85 14.358 5.478 -10.272 1.00 55.21 O ATOM 1308 CB ILE A 85 14.045 2.691 -10.812 1.00 13.11 C ATOM 1309 CG1 ILE A 85 14.322 1.225 -11.149 1.00 31.10 C ATOM 1310 CG2 ILE A 85 12.553 3.023 -10.881 1.00 13.43 C ATOM 1311 CD1 ILE A 85 13.709 0.295 -10.101 1.00 71.13 C ATOM 0 H ILE A 85 16.570 2.934 -10.729 1.00 0.21 H new ATOM 0 HA ILE A 85 14.488 3.453 -12.726 1.00 22.34 H new ATOM 0 HB ILE A 85 14.364 2.849 -9.782 1.00 13.11 H new ATOM 0 HG12 ILE A 85 13.913 0.991 -12.132 1.00 31.10 H new ATOM 0 HG13 ILE A 85 15.398 1.058 -11.204 1.00 31.10 H new ATOM 0 HG21 ILE A 85 11.999 2.345 -10.231 1.00 13.43 H new ATOM 0 HG22 ILE A 85 12.393 4.050 -10.554 1.00 13.43 H new ATOM 0 HG23 ILE A 85 12.202 2.910 -11.907 1.00 13.43 H new ATOM 0 HD11 ILE A 85 13.921 -0.741 -10.365 1.00 71.13 H new ATOM 0 HD12 ILE A 85 14.138 0.515 -9.124 1.00 71.13 H new ATOM 0 HD13 ILE A 85 12.630 0.447 -10.066 1.00 71.13 H new ATOM 1323 N LYS A 86 14.803 5.920 -12.445 1.00 70.13 N ATOM 1324 CA LYS A 86 14.635 7.357 -12.301 1.00 52.41 C ATOM 1325 C LYS A 86 13.404 7.639 -11.439 1.00 72.24 C ATOM 1326 O LYS A 86 13.493 8.343 -10.435 1.00 12.14 O ATOM 1327 CB LYS A 86 14.591 8.030 -13.675 1.00 14.22 C ATOM 1328 CG LYS A 86 15.940 7.910 -14.387 1.00 24.43 C ATOM 1329 CD LYS A 86 16.935 8.944 -13.856 1.00 71.23 C ATOM 1330 CE LYS A 86 18.373 8.541 -14.188 1.00 51.35 C ATOM 1331 NZ LYS A 86 18.499 8.201 -15.623 1.00 32.04 N1+ ATOM 0 H LYS A 86 15.044 5.610 -13.387 1.00 70.13 H new ATOM 0 HA LYS A 86 15.491 7.791 -11.785 1.00 52.41 H new ATOM 0 HB2 LYS A 86 13.812 7.571 -14.284 1.00 14.22 H new ATOM 0 HB3 LYS A 86 14.328 9.082 -13.561 1.00 14.22 H new ATOM 0 HG2 LYS A 86 16.342 6.907 -14.245 1.00 24.43 H new ATOM 0 HG3 LYS A 86 15.803 8.049 -15.459 1.00 24.43 H new ATOM 0 HD2 LYS A 86 16.717 9.920 -14.290 1.00 71.23 H new ATOM 0 HD3 LYS A 86 16.821 9.043 -12.776 1.00 71.23 H new ATOM 0 HE2 LYS A 86 19.052 9.357 -13.941 1.00 51.35 H new ATOM 0 HE3 LYS A 86 18.667 7.686 -13.579 1.00 51.35 H new ATOM 0 HZ1 LYS A 86 19.503 8.212 -15.895 1.00 32.04 H new ATOM 0 HZ2 LYS A 86 18.104 7.254 -15.791 1.00 32.04 H new ATOM 0 HZ3 LYS A 86 17.979 8.899 -16.192 1.00 32.04 H new ATOM 1344 N LYS A 87 12.282 7.073 -11.862 1.00 51.43 N ATOM 1345 CA LYS A 87 11.034 7.255 -11.141 1.00 71.11 C ATOM 1346 C LYS A 87 11.169 6.658 -9.739 1.00 30.25 C ATOM 1347 O LYS A 87 11.716 5.569 -9.574 1.00 52.34 O ATOM 1348 CB LYS A 87 9.863 6.684 -11.942 1.00 51.42 C ATOM 1349 CG LYS A 87 9.427 7.653 -13.043 1.00 42.12 C ATOM 1350 CD LYS A 87 8.516 8.747 -12.481 1.00 3.45 C ATOM 1351 CE LYS A 87 7.247 8.144 -11.875 1.00 15.15 C ATOM 1352 NZ LYS A 87 6.121 9.100 -11.976 1.00 2.13 N1+ ATOM 0 H LYS A 87 12.212 6.488 -12.695 1.00 51.43 H new ATOM 0 HA LYS A 87 10.817 8.316 -11.017 1.00 71.11 H new ATOM 0 HB2 LYS A 87 10.151 5.731 -12.385 1.00 51.42 H new ATOM 0 HB3 LYS A 87 9.024 6.485 -11.275 1.00 51.42 H new ATOM 0 HG2 LYS A 87 10.305 8.106 -13.502 1.00 42.12 H new ATOM 0 HG3 LYS A 87 8.904 7.106 -13.827 1.00 42.12 H new ATOM 0 HD2 LYS A 87 9.051 9.317 -11.721 1.00 3.45 H new ATOM 0 HD3 LYS A 87 8.249 9.446 -13.274 1.00 3.45 H new ATOM 0 HE2 LYS A 87 6.994 7.219 -12.392 1.00 15.15 H new ATOM 0 HE3 LYS A 87 7.422 7.888 -10.830 1.00 15.15 H new ATOM 0 HZ1 LYS A 87 5.267 8.676 -11.560 1.00 2.13 H new ATOM 0 HZ2 LYS A 87 6.359 9.972 -11.463 1.00 2.13 H new ATOM 0 HZ3 LYS A 87 5.945 9.324 -12.976 1.00 2.13 H new ATOM 1365 N LYS A 88 10.660 7.396 -8.764 1.00 73.34 N ATOM 1366 CA LYS A 88 10.717 6.953 -7.381 1.00 10.55 C ATOM 1367 C LYS A 88 9.484 6.102 -7.072 1.00 15.32 C ATOM 1368 O LYS A 88 9.518 5.255 -6.181 1.00 51.24 O ATOM 1369 CB LYS A 88 10.890 8.149 -6.442 1.00 73.43 C ATOM 1370 CG LYS A 88 9.889 9.257 -6.774 1.00 35.34 C ATOM 1371 CD LYS A 88 10.526 10.321 -7.669 1.00 1.31 C ATOM 1372 CE LYS A 88 11.219 11.398 -6.832 1.00 44.14 C ATOM 1373 NZ LYS A 88 12.224 12.120 -7.644 1.00 21.31 N1+ ATOM 0 H LYS A 88 10.206 8.298 -8.904 1.00 73.34 H new ATOM 0 HA LYS A 88 11.590 6.321 -7.219 1.00 10.55 H new ATOM 0 HB2 LYS A 88 10.753 7.828 -5.409 1.00 73.43 H new ATOM 0 HB3 LYS A 88 11.906 8.536 -6.523 1.00 73.43 H new ATOM 0 HG2 LYS A 88 9.020 8.829 -7.274 1.00 35.34 H new ATOM 0 HG3 LYS A 88 9.532 9.718 -5.853 1.00 35.34 H new ATOM 0 HD2 LYS A 88 11.249 9.854 -8.338 1.00 1.31 H new ATOM 0 HD3 LYS A 88 9.761 10.779 -8.296 1.00 1.31 H new ATOM 0 HE2 LYS A 88 10.479 12.101 -6.449 1.00 44.14 H new ATOM 0 HE3 LYS A 88 11.701 10.941 -5.968 1.00 44.14 H new ATOM 0 HZ1 LYS A 88 12.685 12.847 -7.060 1.00 21.31 H new ATOM 0 HZ2 LYS A 88 12.939 11.448 -7.989 1.00 21.31 H new ATOM 0 HZ3 LYS A 88 11.755 12.573 -8.455 1.00 21.31 H new ATOM 1386 N GLU A 89 8.425 6.356 -7.826 1.00 4.13 N ATOM 1387 CA GLU A 89 7.184 5.623 -7.644 1.00 30.31 C ATOM 1388 C GLU A 89 7.418 4.124 -7.842 1.00 34.03 C ATOM 1389 O GLU A 89 7.267 3.339 -6.907 1.00 20.11 O ATOM 1390 CB GLU A 89 6.099 6.137 -8.593 1.00 13.22 C ATOM 1391 CG GLU A 89 4.706 5.732 -8.104 1.00 72.24 C ATOM 1392 CD GLU A 89 4.453 6.243 -6.685 1.00 43.14 C ATOM 1393 OE1 GLU A 89 4.355 7.461 -6.473 1.00 43.15 O ATOM 1394 OE2 GLU A 89 4.355 5.325 -5.784 1.00 73.44 O1- ATOM 0 H GLU A 89 8.401 7.059 -8.564 1.00 4.13 H new ATOM 0 HA GLU A 89 6.836 5.785 -6.624 1.00 30.31 H new ATOM 0 HB2 GLU A 89 6.161 7.223 -8.668 1.00 13.22 H new ATOM 0 HB3 GLU A 89 6.267 5.739 -9.593 1.00 13.22 H new ATOM 0 HG2 GLU A 89 3.949 6.132 -8.779 1.00 72.24 H new ATOM 0 HG3 GLU A 89 4.610 4.646 -8.126 1.00 72.24 H new ATOM 1402 N GLU A 90 7.784 3.771 -9.066 1.00 5.05 N ATOM 1403 CA GLU A 90 8.041 2.379 -9.398 1.00 64.24 C ATOM 1404 C GLU A 90 9.103 1.798 -8.462 1.00 42.35 C ATOM 1405 O GLU A 90 9.200 0.581 -8.308 1.00 45.31 O ATOM 1406 CB GLU A 90 8.462 2.235 -10.862 1.00 25.43 C ATOM 1407 CG GLU A 90 7.255 2.360 -11.794 1.00 31.10 C ATOM 1408 CD GLU A 90 6.451 3.625 -11.483 1.00 25.43 C ATOM 1409 OE1 GLU A 90 6.829 4.723 -11.919 1.00 53.11 O ATOM 1410 OE2 GLU A 90 5.399 3.438 -10.761 1.00 24.22 O1- ATOM 0 H GLU A 90 7.909 4.424 -9.839 1.00 5.05 H new ATOM 0 HA GLU A 90 7.118 1.816 -9.262 1.00 64.24 H new ATOM 0 HB2 GLU A 90 9.198 3.000 -11.109 1.00 25.43 H new ATOM 0 HB3 GLU A 90 8.944 1.269 -11.012 1.00 25.43 H new ATOM 0 HG2 GLU A 90 7.592 2.385 -12.830 1.00 31.10 H new ATOM 0 HG3 GLU A 90 6.616 1.483 -11.687 1.00 31.10 H new ATOM 1418 N ARG A 91 9.872 2.694 -7.863 1.00 31.35 N ATOM 1419 CA ARG A 91 10.923 2.285 -6.946 1.00 20.15 C ATOM 1420 C ARG A 91 10.324 1.889 -5.595 1.00 3.32 C ATOM 1421 O ARG A 91 10.794 0.949 -4.956 1.00 1.04 O ATOM 1422 CB ARG A 91 11.940 3.409 -6.736 1.00 14.11 C ATOM 1423 CG ARG A 91 13.218 3.148 -7.536 1.00 42.25 C ATOM 1424 CD ARG A 91 14.461 3.420 -6.687 1.00 41.32 C ATOM 1425 NE ARG A 91 14.286 2.843 -5.335 1.00 5.33 N ATOM 1426 CZ ARG A 91 14.233 1.519 -5.077 1.00 1.11 C ATOM 1427 NH1 ARG A 91 14.343 0.622 -6.080 1.00 41.21 N ATOM 1428 NH2 ARG A 91 14.074 1.115 -3.831 1.00 32.24 N1+ ATOM 0 H ARG A 91 9.789 3.702 -7.994 1.00 31.35 H new ATOM 0 HA ARG A 91 11.432 1.428 -7.387 1.00 20.15 H new ATOM 0 HB2 ARG A 91 11.504 4.360 -7.040 1.00 14.11 H new ATOM 0 HB3 ARG A 91 12.181 3.493 -5.676 1.00 14.11 H new ATOM 0 HG2 ARG A 91 13.229 2.115 -7.883 1.00 42.25 H new ATOM 0 HG3 ARG A 91 13.233 3.782 -8.422 1.00 42.25 H new ATOM 0 HD2 ARG A 91 15.340 2.988 -7.165 1.00 41.32 H new ATOM 0 HD3 ARG A 91 14.634 4.494 -6.614 1.00 41.32 H new ATOM 0 HE ARG A 91 14.200 3.487 -4.548 1.00 5.33 H new ATOM 0 HH11 ARG A 91 14.467 0.943 -7.040 1.00 41.21 H new ATOM 0 HH12 ARG A 91 14.302 -0.377 -5.878 1.00 41.21 H new ATOM 0 HH21 ARG A 91 13.993 1.800 -3.079 1.00 32.24 H new ATOM 0 HH22 ARG A 91 14.032 0.118 -3.620 1.00 32.24 H new ATOM 1441 N ALA A 92 9.297 2.627 -5.200 1.00 43.14 N ATOM 1442 CA ALA A 92 8.630 2.364 -3.936 1.00 61.50 C ATOM 1443 C ALA A 92 7.825 1.068 -4.049 1.00 12.24 C ATOM 1444 O ALA A 92 8.149 0.074 -3.401 1.00 11.23 O ATOM 1445 CB ALA A 92 7.756 3.564 -3.562 1.00 62.14 C ATOM 0 H ALA A 92 8.911 3.406 -5.732 1.00 43.14 H new ATOM 0 HA ALA A 92 9.359 2.230 -3.137 1.00 61.50 H new ATOM 0 HB1 ALA A 92 7.255 3.368 -2.614 1.00 62.14 H new ATOM 0 HB2 ALA A 92 8.380 4.453 -3.466 1.00 62.14 H new ATOM 0 HB3 ALA A 92 7.010 3.727 -4.340 1.00 62.14 H new ATOM 1451 N ASP A 93 6.792 1.122 -4.875 1.00 75.33 N ATOM 1452 CA ASP A 93 5.938 -0.036 -5.081 1.00 73.40 C ATOM 1453 C ASP A 93 6.802 -1.297 -5.147 1.00 31.00 C ATOM 1454 O ASP A 93 6.517 -2.285 -4.473 1.00 62.34 O ATOM 1455 CB ASP A 93 5.163 0.077 -6.396 1.00 62.14 C ATOM 1456 CG ASP A 93 4.439 1.408 -6.608 1.00 74.20 C ATOM 1457 OD1 ASP A 93 4.537 2.025 -7.679 1.00 71.11 O ATOM 1458 OD2 ASP A 93 3.741 1.813 -5.603 1.00 64.24 O1- ATOM 0 H ASP A 93 6.526 1.949 -5.410 1.00 75.33 H new ATOM 0 HA ASP A 93 5.233 -0.087 -4.251 1.00 73.40 H new ATOM 0 HB2 ASP A 93 5.856 -0.078 -7.223 1.00 62.14 H new ATOM 0 HB3 ASP A 93 4.430 -0.729 -6.439 1.00 62.14 H new ATOM 1464 N LEU A 94 7.840 -1.221 -5.967 1.00 12.24 N ATOM 1465 CA LEU A 94 8.748 -2.344 -6.130 1.00 1.33 C ATOM 1466 C LEU A 94 9.081 -2.928 -4.757 1.00 21.32 C ATOM 1467 O LEU A 94 8.957 -4.133 -4.545 1.00 4.12 O ATOM 1468 CB LEU A 94 9.979 -1.924 -6.936 1.00 1.22 C ATOM 1469 CG LEU A 94 11.039 -3.006 -7.152 1.00 64.13 C ATOM 1470 CD1 LEU A 94 12.039 -3.035 -5.995 1.00 14.55 C ATOM 1471 CD2 LEU A 94 10.389 -4.371 -7.384 1.00 54.24 C ATOM 0 H LEU A 94 8.072 -0.400 -6.525 1.00 12.24 H new ATOM 0 HA LEU A 94 8.274 -3.138 -6.707 1.00 1.33 H new ATOM 0 HB2 LEU A 94 9.647 -1.569 -7.911 1.00 1.22 H new ATOM 0 HB3 LEU A 94 10.448 -1.079 -6.432 1.00 1.22 H new ATOM 0 HG LEU A 94 11.600 -2.759 -8.054 1.00 64.13 H new ATOM 0 HD11 LEU A 94 12.781 -3.813 -6.175 1.00 14.55 H new ATOM 0 HD12 LEU A 94 12.538 -2.069 -5.921 1.00 14.55 H new ATOM 0 HD13 LEU A 94 11.512 -3.244 -5.064 1.00 14.55 H new ATOM 0 HD21 LEU A 94 11.164 -5.122 -7.535 1.00 54.24 H new ATOM 0 HD22 LEU A 94 9.787 -4.640 -6.516 1.00 54.24 H new ATOM 0 HD23 LEU A 94 9.752 -4.325 -8.267 1.00 54.24 H new ATOM 1483 N ILE A 95 9.498 -2.048 -3.859 1.00 21.15 N ATOM 1484 CA ILE A 95 9.851 -2.462 -2.512 1.00 63.21 C ATOM 1485 C ILE A 95 8.606 -3.008 -1.809 1.00 63.41 C ATOM 1486 O ILE A 95 8.702 -3.916 -0.985 1.00 23.11 O ATOM 1487 CB ILE A 95 10.528 -1.315 -1.759 1.00 43.12 C ATOM 1488 CG1 ILE A 95 11.703 -0.752 -2.560 1.00 32.14 C ATOM 1489 CG2 ILE A 95 10.950 -1.755 -0.355 1.00 73.02 C ATOM 1490 CD1 ILE A 95 11.961 0.713 -2.198 1.00 73.24 C ATOM 0 H ILE A 95 9.599 -1.049 -4.038 1.00 21.15 H new ATOM 0 HA ILE A 95 10.582 -3.270 -2.541 1.00 63.21 H new ATOM 0 HB ILE A 95 9.804 -0.509 -1.640 1.00 43.12 H new ATOM 0 HG12 ILE A 95 12.598 -1.342 -2.363 1.00 32.14 H new ATOM 0 HG13 ILE A 95 11.494 -0.836 -3.627 1.00 32.14 H new ATOM 0 HG21 ILE A 95 11.429 -0.921 0.159 1.00 73.02 H new ATOM 0 HG22 ILE A 95 10.071 -2.071 0.207 1.00 73.02 H new ATOM 0 HG23 ILE A 95 11.651 -2.586 -0.430 1.00 73.02 H new ATOM 0 HD11 ILE A 95 12.801 1.089 -2.781 1.00 73.24 H new ATOM 0 HD12 ILE A 95 11.072 1.304 -2.419 1.00 73.24 H new ATOM 0 HD13 ILE A 95 12.193 0.790 -1.136 1.00 73.24 H new ATOM 1502 N ALA A 96 7.466 -2.433 -2.161 1.00 32.22 N ATOM 1503 CA ALA A 96 6.204 -2.851 -1.574 1.00 61.14 C ATOM 1504 C ALA A 96 6.052 -4.366 -1.729 1.00 33.13 C ATOM 1505 O ALA A 96 5.457 -5.023 -0.877 1.00 22.11 O ATOM 1506 CB ALA A 96 5.057 -2.080 -2.230 1.00 55.41 C ATOM 0 H ALA A 96 7.389 -1.681 -2.846 1.00 32.22 H new ATOM 0 HA ALA A 96 6.182 -2.625 -0.508 1.00 61.14 H new ATOM 0 HB1 ALA A 96 4.110 -2.393 -1.790 1.00 55.41 H new ATOM 0 HB2 ALA A 96 5.197 -1.011 -2.067 1.00 55.41 H new ATOM 0 HB3 ALA A 96 5.046 -2.286 -3.300 1.00 55.41 H new ATOM 1512 N TYR A 97 6.600 -4.875 -2.823 1.00 60.33 N ATOM 1513 CA TYR A 97 6.533 -6.299 -3.099 1.00 13.11 C ATOM 1514 C TYR A 97 7.794 -7.013 -2.611 1.00 22.34 C ATOM 1515 O TYR A 97 7.715 -8.090 -2.022 1.00 64.42 O ATOM 1516 CB TYR A 97 6.444 -6.430 -4.622 1.00 3.14 C ATOM 1517 CG TYR A 97 6.627 -7.859 -5.135 1.00 15.05 C ATOM 1518 CD1 TYR A 97 6.036 -8.913 -4.470 1.00 21.51 C ATOM 1519 CD2 TYR A 97 7.384 -8.094 -6.265 1.00 74.52 C ATOM 1520 CE1 TYR A 97 6.208 -10.258 -4.953 1.00 54.24 C ATOM 1521 CE2 TYR A 97 7.557 -9.440 -6.749 1.00 1.23 C ATOM 1522 CZ TYR A 97 6.960 -10.455 -6.069 1.00 73.54 C ATOM 1523 OH TYR A 97 7.122 -11.726 -6.526 1.00 60.45 O ATOM 0 H TYR A 97 7.092 -4.326 -3.528 1.00 60.33 H new ATOM 0 HA TYR A 97 5.680 -6.748 -2.590 1.00 13.11 H new ATOM 0 HB2 TYR A 97 5.474 -6.058 -4.952 1.00 3.14 H new ATOM 0 HB3 TYR A 97 7.202 -5.792 -5.076 1.00 3.14 H new ATOM 0 HD1 TYR A 97 5.444 -8.729 -3.586 1.00 21.51 H new ATOM 0 HD2 TYR A 97 7.847 -7.269 -6.786 1.00 74.52 H new ATOM 0 HE1 TYR A 97 5.750 -11.092 -4.441 1.00 54.24 H new ATOM 0 HE2 TYR A 97 8.147 -9.638 -7.631 1.00 1.23 H new ATOM 0 HH TYR A 97 7.681 -11.716 -7.331 1.00 60.45 H new ATOM 1533 N LEU A 98 8.931 -6.384 -2.873 1.00 52.20 N ATOM 1534 CA LEU A 98 10.208 -6.946 -2.468 1.00 32.23 C ATOM 1535 C LEU A 98 10.294 -6.956 -0.940 1.00 0.11 C ATOM 1536 O LEU A 98 11.170 -7.602 -0.369 1.00 31.23 O ATOM 1537 CB LEU A 98 11.360 -6.200 -3.144 1.00 12.22 C ATOM 1538 CG LEU A 98 11.582 -6.510 -4.626 1.00 61.35 C ATOM 1539 CD1 LEU A 98 12.833 -5.802 -5.151 1.00 55.52 C ATOM 1540 CD2 LEU A 98 11.633 -8.019 -4.868 1.00 14.05 C ATOM 0 H LEU A 98 8.994 -5.490 -3.361 1.00 52.20 H new ATOM 0 HA LEU A 98 10.291 -7.981 -2.799 1.00 32.23 H new ATOM 0 HB2 LEU A 98 11.184 -5.129 -3.040 1.00 12.22 H new ATOM 0 HB3 LEU A 98 12.280 -6.426 -2.604 1.00 12.22 H new ATOM 0 HG LEU A 98 10.732 -6.123 -5.188 1.00 61.35 H new ATOM 0 HD11 LEU A 98 12.969 -6.038 -6.206 1.00 55.52 H new ATOM 0 HD12 LEU A 98 12.718 -4.725 -5.032 1.00 55.52 H new ATOM 0 HD13 LEU A 98 13.704 -6.138 -4.589 1.00 55.52 H new ATOM 0 HD21 LEU A 98 11.792 -8.212 -5.929 1.00 14.05 H new ATOM 0 HD22 LEU A 98 12.452 -8.452 -4.294 1.00 14.05 H new ATOM 0 HD23 LEU A 98 10.692 -8.470 -4.554 1.00 14.05 H new ATOM 1552 N LYS A 99 9.371 -6.232 -0.323 1.00 42.13 N ATOM 1553 CA LYS A 99 9.332 -6.149 1.127 1.00 65.14 C ATOM 1554 C LYS A 99 8.288 -7.131 1.661 1.00 74.10 C ATOM 1555 O LYS A 99 8.328 -7.509 2.831 1.00 12.40 O ATOM 1556 CB LYS A 99 9.103 -4.704 1.576 1.00 53.10 C ATOM 1557 CG LYS A 99 9.130 -4.593 3.101 1.00 51.40 C ATOM 1558 CD LYS A 99 9.133 -3.128 3.544 1.00 53.31 C ATOM 1559 CE LYS A 99 9.466 -3.006 5.032 1.00 14.20 C ATOM 1560 NZ LYS A 99 8.350 -3.521 5.857 1.00 30.50 N1+ ATOM 0 H LYS A 99 8.645 -5.698 -0.801 1.00 42.13 H new ATOM 0 HA LYS A 99 10.293 -6.441 1.551 1.00 65.14 H new ATOM 0 HB2 LYS A 99 9.871 -4.060 1.147 1.00 53.10 H new ATOM 0 HB3 LYS A 99 8.143 -4.350 1.199 1.00 53.10 H new ATOM 0 HG2 LYS A 99 8.263 -5.102 3.522 1.00 51.40 H new ATOM 0 HG3 LYS A 99 10.015 -5.096 3.490 1.00 51.40 H new ATOM 0 HD2 LYS A 99 9.862 -2.569 2.958 1.00 53.31 H new ATOM 0 HD3 LYS A 99 8.157 -2.683 3.348 1.00 53.31 H new ATOM 0 HE2 LYS A 99 10.377 -3.562 5.254 1.00 14.20 H new ATOM 0 HE3 LYS A 99 9.660 -1.963 5.283 1.00 14.20 H new ATOM 0 HZ1 LYS A 99 8.593 -3.431 6.864 1.00 30.50 H new ATOM 0 HZ2 LYS A 99 7.489 -2.973 5.658 1.00 30.50 H new ATOM 0 HZ3 LYS A 99 8.183 -4.522 5.629 1.00 30.50 H new ATOM 1573 N LYS A 100 7.378 -7.516 0.778 1.00 45.50 N ATOM 1574 CA LYS A 100 6.325 -8.447 1.147 1.00 71.42 C ATOM 1575 C LYS A 100 6.687 -9.846 0.642 1.00 15.31 C ATOM 1576 O LYS A 100 6.088 -10.835 1.060 1.00 13.03 O ATOM 1577 CB LYS A 100 4.968 -7.946 0.647 1.00 23.01 C ATOM 1578 CG LYS A 100 3.823 -8.590 1.432 1.00 62.30 C ATOM 1579 CD LYS A 100 2.468 -8.227 0.821 1.00 21.42 C ATOM 1580 CE LYS A 100 1.319 -8.735 1.695 1.00 4.03 C ATOM 1581 NZ LYS A 100 1.493 -8.284 3.094 1.00 72.11 N1+ ATOM 0 H LYS A 100 7.348 -7.200 -0.191 1.00 45.50 H new ATOM 0 HA LYS A 100 6.236 -8.511 2.231 1.00 71.42 H new ATOM 0 HB2 LYS A 100 4.917 -6.862 0.747 1.00 23.01 H new ATOM 0 HB3 LYS A 100 4.860 -8.174 -0.413 1.00 23.01 H new ATOM 0 HG2 LYS A 100 3.945 -9.673 1.438 1.00 62.30 H new ATOM 0 HG3 LYS A 100 3.858 -8.260 2.470 1.00 62.30 H new ATOM 0 HD2 LYS A 100 2.394 -7.145 0.709 1.00 21.42 H new ATOM 0 HD3 LYS A 100 2.388 -8.657 -0.177 1.00 21.42 H new ATOM 0 HE2 LYS A 100 0.369 -8.370 1.305 1.00 4.03 H new ATOM 0 HE3 LYS A 100 1.281 -9.824 1.660 1.00 4.03 H new ATOM 0 HZ1 LYS A 100 0.561 -8.104 3.519 1.00 72.11 H new ATOM 0 HZ2 LYS A 100 1.985 -9.021 3.638 1.00 72.11 H new ATOM 0 HZ3 LYS A 100 2.055 -7.409 3.109 1.00 72.11 H new ATOM 1594 N ALA A 101 7.668 -9.883 -0.248 1.00 64.02 N ATOM 1595 CA ALA A 101 8.118 -11.144 -0.813 1.00 24.13 C ATOM 1596 C ALA A 101 9.240 -11.715 0.055 1.00 72.45 C ATOM 1597 O ALA A 101 9.429 -12.929 0.113 1.00 21.11 O ATOM 1598 CB ALA A 101 8.554 -10.927 -2.263 1.00 75.14 C ATOM 0 H ALA A 101 8.164 -9.060 -0.592 1.00 64.02 H new ATOM 0 HA ALA A 101 7.307 -11.872 -0.823 1.00 24.13 H new ATOM 0 HB1 ALA A 101 8.892 -11.873 -2.687 1.00 75.14 H new ATOM 0 HB2 ALA A 101 7.712 -10.549 -2.843 1.00 75.14 H new ATOM 0 HB3 ALA A 101 9.369 -10.204 -2.293 1.00 75.14 H new ATOM 1604 N THR A 102 9.957 -10.813 0.708 1.00 15.34 N ATOM 1605 CA THR A 102 11.056 -11.211 1.570 1.00 4.43 C ATOM 1606 C THR A 102 10.649 -11.099 3.041 1.00 51.23 C ATOM 1607 O THR A 102 11.502 -10.966 3.917 1.00 33.25 O ATOM 1608 CB THR A 102 12.274 -10.356 1.210 1.00 53.10 C ATOM 1609 OG1 THR A 102 11.954 -9.065 1.720 1.00 60.21 O ATOM 1610 CG2 THR A 102 12.410 -10.139 -0.298 1.00 73.13 C ATOM 0 H THR A 102 9.798 -9.807 0.657 1.00 15.34 H new ATOM 0 HA THR A 102 11.319 -12.258 1.417 1.00 4.43 H new ATOM 0 HB THR A 102 13.178 -10.831 1.591 1.00 53.10 H new ATOM 0 HG1 THR A 102 11.497 -8.544 1.027 1.00 60.21 H new ATOM 0 HG21 THR A 102 13.289 -9.527 -0.500 1.00 73.13 H new ATOM 0 HG22 THR A 102 12.517 -11.103 -0.796 1.00 73.13 H new ATOM 0 HG23 THR A 102 11.521 -9.633 -0.674 1.00 73.13 H new ATOM 1618 N ASN A 103 9.345 -11.157 3.267 1.00 70.44 N ATOM 1619 CA ASN A 103 8.814 -11.063 4.616 1.00 11.44 C ATOM 1620 C ASN A 103 8.222 -12.414 5.021 1.00 44.21 C ATOM 1621 O ASN A 103 7.997 -12.669 6.203 1.00 20.15 O ATOM 1622 CB ASN A 103 7.702 -10.016 4.699 1.00 54.20 C ATOM 1623 CG ASN A 103 7.142 -9.921 6.119 1.00 33.53 C ATOM 1624 OD1 ASN A 103 7.855 -9.688 7.081 1.00 4.43 O ATOM 1625 ND2 ASN A 103 5.829 -10.115 6.197 1.00 23.31 N ATOM 0 H ASN A 103 8.640 -11.268 2.538 1.00 70.44 H new ATOM 0 HA ASN A 103 9.629 -10.776 5.280 1.00 11.44 H new ATOM 0 HB2 ASN A 103 8.089 -9.045 4.391 1.00 54.20 H new ATOM 0 HB3 ASN A 103 6.902 -10.275 4.005 1.00 54.20 H new ATOM 0 HD21 ASN A 103 5.360 -10.073 7.102 1.00 23.31 H new ATOM 0 HD22 ASN A 103 5.291 -10.306 5.352 1.00 23.31 H new ATOM 1632 N GLU A 104 7.983 -13.245 4.016 1.00 23.13 N ATOM 1633 CA GLU A 104 7.420 -14.563 4.252 1.00 54.13 C ATOM 1634 C GLU A 104 8.535 -15.576 4.521 1.00 73.12 C ATOM 1635 O GLU A 104 9.405 -15.784 3.676 1.00 31.02 O ATOM 1636 CB GLU A 104 6.548 -15.006 3.076 1.00 64.13 C ATOM 1637 CG GLU A 104 5.551 -13.912 2.690 1.00 74.30 C ATOM 1638 CD GLU A 104 4.401 -13.838 3.699 1.00 30.24 C ATOM 1639 OE1 GLU A 104 3.573 -12.918 3.628 1.00 70.41 O ATOM 1640 OE2 GLU A 104 4.386 -14.783 4.578 1.00 71.21 O1- ATOM 0 H GLU A 104 8.169 -13.030 3.036 1.00 23.13 H new ATOM 0 HA GLU A 104 6.782 -14.511 5.134 1.00 54.13 H new ATOM 0 HB2 GLU A 104 7.179 -15.246 2.221 1.00 64.13 H new ATOM 0 HB3 GLU A 104 6.010 -15.916 3.340 1.00 64.13 H new ATOM 0 HG2 GLU A 104 6.061 -12.950 2.643 1.00 74.30 H new ATOM 0 HG3 GLU A 104 5.154 -14.111 1.695 1.00 74.30 H new TER 1648 GLU A 104 HETATM 1649 FE HEC A 500 20.536 -6.892 -8.313 1.00 34.12 FE HETATM 1650 CHA HEC A 500 23.163 -6.948 -6.063 1.00 70.41 C HETATM 1651 CHB HEC A 500 18.515 -5.488 -5.926 1.00 51.40 C HETATM 1652 CHC HEC A 500 18.347 -6.238 -10.777 1.00 30.32 C HETATM 1653 CHD HEC A 500 22.497 -8.770 -10.513 1.00 22.15 C HETATM 1654 NA HEC A 500 20.816 -6.258 -6.377 1.00 31.22 N HETATM 1655 C1A HEC A 500 21.968 -6.382 -5.681 1.00 70.42 C HETATM 1656 C2A HEC A 500 21.741 -5.899 -4.354 1.00 55.42 C HETATM 1657 C3A HEC A 500 20.430 -5.494 -4.280 1.00 21.02 C HETATM 1658 C4A HEC A 500 19.839 -5.749 -5.575 1.00 11.25 C HETATM 1659 CMA HEC A 500 19.772 -4.846 -3.088 1.00 33.23 C HETATM 1660 CAA HEC A 500 22.737 -6.003 -3.234 1.00 52.15 C HETATM 1661 CBA HEC A 500 22.911 -7.423 -2.690 1.00 50.33 C HETATM 1662 CGA HEC A 500 22.665 -8.438 -3.793 1.00 24.15 C HETATM 1663 O1A HEC A 500 21.520 -8.489 -4.287 1.00 51.15 O HETATM 1664 O2A HEC A 500 23.658 -9.096 -4.183 1.00 64.43 O HETATM 1665 NB HEC A 500 18.720 -6.103 -8.330 1.00 15.25 N HETATM 1666 C1B HEC A 500 18.053 -5.625 -7.239 1.00 55.24 C HETATM 1667 C2B HEC A 500 16.737 -5.247 -7.688 1.00 23.13 C HETATM 1668 C3B HEC A 500 16.739 -5.318 -9.066 1.00 22.40 C HETATM 1669 C4B HEC A 500 17.996 -5.913 -9.459 1.00 23.25 C HETATM 1670 CMB HEC A 500 15.585 -4.868 -6.796 1.00 22.42 C HETATM 1671 CAB HEC A 500 15.624 -4.921 -10.011 1.00 55.14 C HETATM 1672 CBB HEC A 500 14.856 -3.653 -9.628 1.00 1.25 C HETATM 1673 NC HEC A 500 20.419 -7.449 -10.300 1.00 13.44 N HETATM 1674 C1C HEC A 500 19.417 -7.061 -11.111 1.00 70.35 C HETATM 1675 C2C HEC A 500 19.605 -7.716 -12.389 1.00 1.23 C HETATM 1676 C3C HEC A 500 20.697 -8.545 -12.261 1.00 62.35 C HETATM 1677 C4C HEC A 500 21.282 -8.265 -10.968 1.00 2.33 C HETATM 1678 CMC HEC A 500 18.651 -7.680 -13.560 1.00 14.53 C HETATM 1679 CAC HEC A 500 21.158 -9.629 -13.228 1.00 40.04 C HETATM 1680 CBC HEC A 500 21.613 -9.104 -14.595 1.00 35.45 C HETATM 1681 ND HEC A 500 22.473 -7.730 -8.278 1.00 31.33 N HETATM 1682 C1D HEC A 500 23.035 -8.468 -9.271 1.00 44.31 C HETATM 1683 C2D HEC A 500 24.349 -8.871 -8.822 1.00 33.44 C HETATM 1684 C3D HEC A 500 24.548 -8.303 -7.588 1.00 2.54 C HETATM 1685 C4D HEC A 500 23.341 -7.607 -7.249 1.00 41.22 C HETATM 1686 CMD HEC A 500 25.345 -9.719 -9.568 1.00 21.21 C HETATM 1687 CAD HEC A 500 25.838 -8.293 -6.808 1.00 14.14 C HETATM 1688 CBD HEC A 500 26.936 -7.552 -7.568 1.00 13.53 C HETATM 1689 CGD HEC A 500 27.936 -6.898 -6.637 1.00 13.34 C HETATM 1690 O1D HEC A 500 27.746 -5.708 -6.318 1.00 32.14 O HETATM 1691 O2D HEC A 500 28.910 -7.581 -6.269 1.00 31.10 O HETATM 0 HMD3 HEC A 500 24.908 -10.696 -9.776 1.00 21.21 H new HETATM 0 HMD2 HEC A 500 25.607 -9.231 -10.507 1.00 21.21 H new HETATM 0 HMD1 HEC A 500 26.242 -9.845 -8.962 1.00 21.21 H new HETATM 0 HMC3 HEC A 500 17.691 -8.100 -13.260 1.00 14.53 H new HETATM 0 HMC2 HEC A 500 18.511 -6.649 -13.883 1.00 14.53 H new HETATM 0 HMC1 HEC A 500 19.062 -8.265 -14.382 1.00 14.53 H new HETATM 0 HMB3 HEC A 500 15.347 -5.701 -6.135 1.00 22.42 H new HETATM 0 HMB2 HEC A 500 15.858 -3.998 -6.199 1.00 22.42 H new HETATM 0 HMB1 HEC A 500 14.715 -4.630 -7.407 1.00 22.42 H new HETATM 0 HMA3 HEC A 500 19.826 -5.519 -2.232 1.00 33.23 H new HETATM 0 HMA2 HEC A 500 20.286 -3.915 -2.850 1.00 33.23 H new HETATM 0 HMA1 HEC A 500 18.728 -4.635 -3.319 1.00 33.23 H new HETATM 0 HBD2 HEC A 500 27.456 -8.250 -8.224 1.00 13.53 H new HETATM 0 HBD1 HEC A 500 26.485 -6.792 -8.205 1.00 13.53 H new HETATM 0 HBC3 HEC A 500 20.788 -8.578 -15.076 1.00 35.45 H new HETATM 0 HBC2 HEC A 500 22.451 -8.419 -14.461 1.00 35.45 H new HETATM 0 HBC1 HEC A 500 21.924 -9.940 -15.221 1.00 35.45 H new HETATM 0 HBB3 HEC A 500 14.396 -3.788 -8.649 1.00 1.25 H new HETATM 0 HBB2 HEC A 500 15.544 -2.808 -9.592 1.00 1.25 H new HETATM 0 HBB1 HEC A 500 14.081 -3.459 -10.370 1.00 1.25 H new HETATM 0 HBA2 HEC A 500 23.917 -7.547 -2.289 1.00 50.33 H new HETATM 0 HBA1 HEC A 500 22.217 -7.593 -1.867 1.00 50.33 H new HETATM 0 HAD2 HEC A 500 25.677 -7.818 -5.840 1.00 14.14 H new HETATM 0 HAD1 HEC A 500 26.155 -9.317 -6.611 1.00 14.14 H new HETATM 0 HAA2 HEC A 500 23.702 -5.638 -3.584 1.00 52.15 H new HETATM 0 HAA1 HEC A 500 22.424 -5.348 -2.421 1.00 52.15 H new HETATM 0 HHD HEC A 500 23.055 -9.439 -11.168 1.00 22.15 H new HETATM 0 HHC HEC A 500 17.747 -5.822 -11.586 1.00 30.32 H new HETATM 0 HHB HEC A 500 17.818 -5.167 -5.152 1.00 51.40 H new HETATM 0 HHA HEC A 500 24.013 -6.867 -5.385 1.00 70.41 H new HETATM 0 H2A HEC A 500 24.469 -8.557 -4.079 1.00 64.43 H new