USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=31 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 80:sc= -0.0552 USER MOD Set 1.2: A 80 MET CE :methyl 168:sc= -1.41 (180deg=-1.59) USER MOD Set 2.1: A 19 THR OG1 : rot -170:sc= 0.0735 USER MOD Set 2.2: A 31 ASN :FLIP amide:sc= 0.684 F(o=-1.3,f=0.76) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -168:sc=-0.00141 (180deg=-0.0427) USER MOD Single : A 7 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0388) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.332) USER MOD Single : A 15 SER OG : rot -98:sc= 1.17 USER MOD Single : A 16 GLN : amide:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -159:sc= -0.0995 (180deg=-0.491) USER MOD Single : A 26 HIS : no HD1:sc= -0.0991 K(o=-0.099,f=-1) USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0414) USER MOD Single : A 28 THR OG1 : rot 116:sc= 0.557 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 58:sc= -0.348! USER MOD Single : A 42 GLN :FLIP amide:sc= -0.621 F(o=-1.4,f=-0.62) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.0405 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 49 THR OG1 : rot -117:sc= 1.08 USER MOD Single : A 52 ASN : amide:sc= -2.54 K(o=-2.5,f=-4.7!) USER MOD Single : A 53 LYS NZ :NH3+ -166:sc= -0.0066 (180deg=-0.272) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.822 F(o=-3.8!,f=-0.82) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 120:sc= 0.416 USER MOD Single : A 65 MET CE :methyl -145:sc= -5.98! (180deg=-7.77!) USER MOD Single : A 70 ASN : amide:sc= -2.35 K(o=-2.4,f=-3.7!) USER MOD Single : A 72 LYS NZ :NH3+ -142:sc= -0.976 (180deg=-2.38!) USER MOD Single : A 73 LYS NZ :NH3+ -154:sc= -0.207 (180deg=-1.12) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.023 USER MOD Single : A 79 LYS NZ :NH3+ -149:sc= -0.218 (180deg=-1.68!) USER MOD Single : A 86 LYS NZ :NH3+ -129:sc= -0.495 (180deg=-1.29) USER MOD Single : A 87 LYS NZ :NH3+ -158:sc= -0.0406 (180deg=-0.349) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot -168:sc= 0.313 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -88:sc= 1.2 USER MOD Single : A 103 ASN : amide:sc= -0.0776 X(o=-0.078,f=0) USER MOD Single : A 500 HEC O2A : rot 83:sc= 1.52 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.624 -0.184 0.153 1.00 24.45 N ATOM 2 CA GLY A 1 2.279 -0.124 -1.143 1.00 4.32 C ATOM 3 C GLY A 1 2.061 -1.419 -1.927 1.00 34.12 C ATOM 4 O GLY A 1 2.568 -2.474 -1.545 1.00 52.20 O ATOM 0 H1 GLY A 1 1.787 0.706 0.666 1.00 24.45 H new ATOM 0 H2 GLY A 1 0.602 -0.325 0.019 1.00 24.45 H new ATOM 0 H3 GLY A 1 2.014 -0.976 0.703 1.00 24.45 H new ATOM 0 HA2 GLY A 1 1.890 0.720 -1.712 1.00 4.32 H new ATOM 0 HA3 GLY A 1 3.347 0.048 -1.007 1.00 4.32 H new ATOM 8 N ASP A 2 1.309 -1.298 -3.011 1.00 42.55 N ATOM 9 CA ASP A 2 1.018 -2.446 -3.852 1.00 3.31 C ATOM 10 C ASP A 2 2.314 -3.209 -4.131 1.00 4.41 C ATOM 11 O ASP A 2 3.398 -2.630 -4.107 1.00 51.34 O ATOM 12 CB ASP A 2 0.429 -2.009 -5.195 1.00 52.41 C ATOM 13 CG ASP A 2 0.961 -0.678 -5.732 1.00 63.04 C ATOM 14 OD1 ASP A 2 1.971 -0.151 -5.245 1.00 4.01 O ATOM 15 OD2 ASP A 2 0.281 -0.174 -6.706 1.00 63.42 O1- ATOM 0 H ASP A 2 0.892 -0.422 -3.326 1.00 42.55 H new ATOM 0 HA ASP A 2 0.297 -3.074 -3.329 1.00 3.31 H new ATOM 0 HB2 ASP A 2 0.628 -2.787 -5.932 1.00 52.41 H new ATOM 0 HB3 ASP A 2 -0.654 -1.936 -5.093 1.00 52.41 H new ATOM 21 N VAL A 3 2.159 -4.500 -4.389 1.00 75.13 N ATOM 22 CA VAL A 3 3.304 -5.350 -4.672 1.00 75.34 C ATOM 23 C VAL A 3 3.276 -5.761 -6.144 1.00 13.43 C ATOM 24 O VAL A 3 4.316 -5.812 -6.799 1.00 74.44 O ATOM 25 CB VAL A 3 3.318 -6.544 -3.717 1.00 52.14 C ATOM 26 CG1 VAL A 3 1.895 -6.965 -3.344 1.00 34.45 C ATOM 27 CG2 VAL A 3 4.097 -7.717 -4.316 1.00 44.44 C ATOM 0 H VAL A 3 1.258 -4.978 -4.408 1.00 75.13 H new ATOM 0 HA VAL A 3 4.234 -4.807 -4.504 1.00 75.34 H new ATOM 0 HB VAL A 3 3.827 -6.236 -2.804 1.00 52.14 H new ATOM 0 HG11 VAL A 3 1.934 -7.816 -2.664 1.00 34.45 H new ATOM 0 HG12 VAL A 3 1.386 -6.134 -2.856 1.00 34.45 H new ATOM 0 HG13 VAL A 3 1.350 -7.245 -4.246 1.00 34.45 H new ATOM 0 HG21 VAL A 3 4.091 -8.553 -3.616 1.00 44.44 H new ATOM 0 HG22 VAL A 3 3.630 -8.024 -5.252 1.00 44.44 H new ATOM 0 HG23 VAL A 3 5.126 -7.411 -4.507 1.00 44.44 H new ATOM 37 N GLU A 4 2.074 -6.046 -6.624 1.00 51.25 N ATOM 38 CA GLU A 4 1.897 -6.452 -8.008 1.00 54.55 C ATOM 39 C GLU A 4 2.569 -5.448 -8.946 1.00 41.14 C ATOM 40 O GLU A 4 3.323 -5.834 -9.837 1.00 54.03 O ATOM 41 CB GLU A 4 0.414 -6.613 -8.347 1.00 30.12 C ATOM 42 CG GLU A 4 -0.146 -7.911 -7.761 1.00 30.34 C ATOM 43 CD GLU A 4 -1.445 -8.313 -8.460 1.00 64.34 C ATOM 44 OE1 GLU A 4 -2.538 -8.028 -7.949 1.00 52.43 O ATOM 45 OE2 GLU A 4 -1.292 -8.942 -9.576 1.00 73.12 O1- ATOM 0 H GLU A 4 1.213 -6.004 -6.079 1.00 51.25 H new ATOM 0 HA GLU A 4 2.374 -7.422 -8.145 1.00 54.55 H new ATOM 0 HB2 GLU A 4 -0.146 -5.763 -7.957 1.00 30.12 H new ATOM 0 HB3 GLU A 4 0.283 -6.612 -9.429 1.00 30.12 H new ATOM 0 HG2 GLU A 4 0.589 -8.709 -7.866 1.00 30.34 H new ATOM 0 HG3 GLU A 4 -0.328 -7.784 -6.694 1.00 30.34 H new ATOM 53 N LYS A 5 2.270 -4.178 -8.713 1.00 75.51 N ATOM 54 CA LYS A 5 2.834 -3.115 -9.527 1.00 13.03 C ATOM 55 C LYS A 5 4.362 -3.179 -9.452 1.00 44.51 C ATOM 56 O LYS A 5 5.052 -2.652 -10.324 1.00 62.31 O ATOM 57 CB LYS A 5 2.256 -1.760 -9.116 1.00 32.11 C ATOM 58 CG LYS A 5 1.051 -1.392 -9.985 1.00 40.51 C ATOM 59 CD LYS A 5 -0.173 -2.228 -9.607 1.00 51.43 C ATOM 60 CE LYS A 5 -0.635 -3.089 -10.786 1.00 34.33 C ATOM 61 NZ LYS A 5 -1.185 -2.237 -11.864 1.00 61.11 N1+ ATOM 0 H LYS A 5 1.644 -3.862 -7.972 1.00 75.51 H new ATOM 0 HA LYS A 5 2.558 -3.249 -10.573 1.00 13.03 H new ATOM 0 HB2 LYS A 5 1.958 -1.791 -8.068 1.00 32.11 H new ATOM 0 HB3 LYS A 5 3.023 -0.991 -9.207 1.00 32.11 H new ATOM 0 HG2 LYS A 5 0.823 -0.333 -9.867 1.00 40.51 H new ATOM 0 HG3 LYS A 5 1.294 -1.551 -11.036 1.00 40.51 H new ATOM 0 HD2 LYS A 5 0.067 -2.867 -8.757 1.00 51.43 H new ATOM 0 HD3 LYS A 5 -0.984 -1.571 -9.292 1.00 51.43 H new ATOM 0 HE2 LYS A 5 0.202 -3.674 -11.167 1.00 34.33 H new ATOM 0 HE3 LYS A 5 -1.393 -3.798 -10.452 1.00 34.33 H new ATOM 0 HZ1 LYS A 5 -1.676 -2.833 -12.561 1.00 61.11 H new ATOM 0 HZ2 LYS A 5 -1.857 -1.554 -11.458 1.00 61.11 H new ATOM 0 HZ3 LYS A 5 -0.410 -1.724 -12.331 1.00 61.11 H new ATOM 74 N GLY A 6 4.844 -3.830 -8.405 1.00 33.14 N ATOM 75 CA GLY A 6 6.277 -3.970 -8.205 1.00 41.25 C ATOM 76 C GLY A 6 6.765 -5.341 -8.678 1.00 61.35 C ATOM 77 O GLY A 6 7.947 -5.515 -8.971 1.00 72.04 O ATOM 0 H GLY A 6 4.268 -4.267 -7.685 1.00 33.14 H new ATOM 0 HA2 GLY A 6 6.802 -3.185 -8.749 1.00 41.25 H new ATOM 0 HA3 GLY A 6 6.515 -3.840 -7.149 1.00 41.25 H new ATOM 81 N LYS A 7 5.831 -6.279 -8.735 1.00 54.25 N ATOM 82 CA LYS A 7 6.151 -7.628 -9.167 1.00 13.43 C ATOM 83 C LYS A 7 6.300 -7.651 -10.690 1.00 11.22 C ATOM 84 O LYS A 7 6.993 -8.508 -11.235 1.00 40.24 O ATOM 85 CB LYS A 7 5.114 -8.621 -8.635 1.00 12.01 C ATOM 86 CG LYS A 7 5.590 -10.063 -8.822 1.00 61.14 C ATOM 87 CD LYS A 7 5.038 -10.969 -7.719 1.00 21.42 C ATOM 88 CE LYS A 7 5.167 -12.443 -8.106 1.00 53.44 C ATOM 89 NZ LYS A 7 4.116 -12.819 -9.078 1.00 74.43 N1+ ATOM 0 H LYS A 7 4.852 -6.131 -8.489 1.00 54.25 H new ATOM 0 HA LYS A 7 7.106 -7.945 -8.749 1.00 13.43 H new ATOM 0 HB2 LYS A 7 4.930 -8.429 -7.578 1.00 12.01 H new ATOM 0 HB3 LYS A 7 4.167 -8.477 -9.155 1.00 12.01 H new ATOM 0 HG2 LYS A 7 5.269 -10.432 -9.796 1.00 61.14 H new ATOM 0 HG3 LYS A 7 6.680 -10.094 -8.812 1.00 61.14 H new ATOM 0 HD2 LYS A 7 5.576 -10.785 -6.789 1.00 21.42 H new ATOM 0 HD3 LYS A 7 3.991 -10.728 -7.535 1.00 21.42 H new ATOM 0 HE2 LYS A 7 6.151 -12.627 -8.537 1.00 53.44 H new ATOM 0 HE3 LYS A 7 5.087 -13.067 -7.216 1.00 53.44 H new ATOM 0 HZ1 LYS A 7 4.110 -13.852 -9.201 1.00 74.43 H new ATOM 0 HZ2 LYS A 7 3.189 -12.507 -8.725 1.00 74.43 H new ATOM 0 HZ3 LYS A 7 4.310 -12.363 -9.992 1.00 74.43 H new ATOM 102 N LYS A 8 5.638 -6.699 -11.331 1.00 45.33 N ATOM 103 CA LYS A 8 5.687 -6.600 -12.779 1.00 12.01 C ATOM 104 C LYS A 8 6.958 -5.854 -13.191 1.00 54.24 C ATOM 105 O LYS A 8 7.654 -6.270 -14.117 1.00 40.24 O ATOM 106 CB LYS A 8 4.403 -5.968 -13.317 1.00 14.42 C ATOM 107 CG LYS A 8 3.296 -7.014 -13.463 1.00 34.03 C ATOM 108 CD LYS A 8 3.473 -7.823 -14.750 1.00 33.34 C ATOM 109 CE LYS A 8 3.288 -6.937 -15.984 1.00 60.43 C ATOM 110 NZ LYS A 8 2.829 -7.743 -17.137 1.00 31.43 N1+ ATOM 0 H LYS A 8 5.065 -5.990 -10.874 1.00 45.33 H new ATOM 0 HA LYS A 8 5.738 -7.592 -13.227 1.00 12.01 H new ATOM 0 HB2 LYS A 8 4.074 -5.176 -12.644 1.00 14.42 H new ATOM 0 HB3 LYS A 8 4.599 -5.504 -14.283 1.00 14.42 H new ATOM 0 HG2 LYS A 8 3.308 -7.684 -12.603 1.00 34.03 H new ATOM 0 HG3 LYS A 8 2.324 -6.521 -13.470 1.00 34.03 H new ATOM 0 HD2 LYS A 8 4.465 -8.274 -14.767 1.00 33.34 H new ATOM 0 HD3 LYS A 8 2.751 -8.640 -14.773 1.00 33.34 H new ATOM 0 HE2 LYS A 8 2.563 -6.152 -15.770 1.00 60.43 H new ATOM 0 HE3 LYS A 8 4.229 -6.444 -16.229 1.00 60.43 H new ATOM 0 HZ1 LYS A 8 2.709 -7.126 -17.966 1.00 31.43 H new ATOM 0 HZ2 LYS A 8 3.535 -8.476 -17.351 1.00 31.43 H new ATOM 0 HZ3 LYS A 8 1.921 -8.194 -16.906 1.00 31.43 H new ATOM 123 N ILE A 9 7.223 -4.765 -12.484 1.00 72.22 N ATOM 124 CA ILE A 9 8.398 -3.958 -12.764 1.00 63.35 C ATOM 125 C ILE A 9 9.654 -4.744 -12.386 1.00 74.32 C ATOM 126 O ILE A 9 10.671 -4.664 -13.072 1.00 34.45 O ATOM 127 CB ILE A 9 8.291 -2.597 -12.071 1.00 33.41 C ATOM 128 CG1 ILE A 9 7.285 -1.695 -12.787 1.00 13.20 C ATOM 129 CG2 ILE A 9 9.666 -1.937 -11.945 1.00 10.42 C ATOM 130 CD1 ILE A 9 6.683 -0.672 -11.821 1.00 3.44 C ATOM 0 H ILE A 9 6.644 -4.423 -11.717 1.00 72.22 H new ATOM 0 HA ILE A 9 8.467 -3.742 -13.830 1.00 63.35 H new ATOM 0 HB ILE A 9 7.917 -2.756 -11.060 1.00 33.41 H new ATOM 0 HG12 ILE A 9 7.777 -1.178 -13.611 1.00 13.20 H new ATOM 0 HG13 ILE A 9 6.491 -2.302 -13.221 1.00 13.20 H new ATOM 0 HG21 ILE A 9 9.562 -0.972 -11.449 1.00 10.42 H new ATOM 0 HG22 ILE A 9 10.325 -2.577 -11.358 1.00 10.42 H new ATOM 0 HG23 ILE A 9 10.092 -1.791 -12.938 1.00 10.42 H new ATOM 0 HD11 ILE A 9 5.971 -0.043 -12.355 1.00 3.44 H new ATOM 0 HD12 ILE A 9 6.171 -1.193 -11.012 1.00 3.44 H new ATOM 0 HD13 ILE A 9 7.477 -0.051 -11.408 1.00 3.44 H new ATOM 142 N PHE A 10 9.542 -5.488 -11.294 1.00 22.51 N ATOM 143 CA PHE A 10 10.656 -6.288 -10.816 1.00 30.30 C ATOM 144 C PHE A 10 11.097 -7.302 -11.874 1.00 54.03 C ATOM 145 O PHE A 10 12.200 -7.841 -11.801 1.00 62.33 O ATOM 146 CB PHE A 10 10.167 -7.041 -9.578 1.00 71.01 C ATOM 147 CG PHE A 10 10.994 -8.283 -9.237 1.00 62.01 C ATOM 148 CD1 PHE A 10 12.245 -8.147 -8.725 1.00 65.44 C ATOM 149 CD2 PHE A 10 10.476 -9.523 -9.448 1.00 53.24 C ATOM 150 CE1 PHE A 10 13.012 -9.300 -8.409 1.00 63.41 C ATOM 151 CE2 PHE A 10 11.242 -10.676 -9.133 1.00 45.31 C ATOM 152 CZ PHE A 10 12.495 -10.540 -8.620 1.00 72.24 C ATOM 0 H PHE A 10 8.696 -5.553 -10.727 1.00 22.51 H new ATOM 0 HA PHE A 10 11.507 -5.644 -10.591 1.00 30.30 H new ATOM 0 HB2 PHE A 10 10.180 -6.363 -8.725 1.00 71.01 H new ATOM 0 HB3 PHE A 10 9.130 -7.339 -9.733 1.00 71.01 H new ATOM 0 HD1 PHE A 10 12.656 -7.162 -8.558 1.00 65.44 H new ATOM 0 HD2 PHE A 10 9.482 -9.630 -9.855 1.00 53.24 H new ATOM 0 HE1 PHE A 10 14.006 -9.192 -8.001 1.00 63.41 H new ATOM 0 HE2 PHE A 10 10.831 -11.660 -9.300 1.00 45.31 H new ATOM 0 HZ PHE A 10 13.079 -11.417 -8.380 1.00 72.24 H new ATOM 162 N ILE A 11 10.212 -7.529 -12.834 1.00 5.51 N ATOM 163 CA ILE A 11 10.496 -8.469 -13.905 1.00 1.20 C ATOM 164 C ILE A 11 11.298 -7.761 -15.000 1.00 50.30 C ATOM 165 O ILE A 11 12.422 -8.156 -15.304 1.00 63.10 O ATOM 166 CB ILE A 11 9.203 -9.113 -14.410 1.00 12.30 C ATOM 167 CG1 ILE A 11 8.736 -10.219 -13.461 1.00 73.50 C ATOM 168 CG2 ILE A 11 9.367 -9.619 -15.844 1.00 74.44 C ATOM 169 CD1 ILE A 11 7.444 -10.865 -13.967 1.00 31.21 C ATOM 0 H ILE A 11 9.299 -7.079 -12.892 1.00 5.51 H new ATOM 0 HA ILE A 11 11.112 -9.290 -13.538 1.00 1.20 H new ATOM 0 HB ILE A 11 8.424 -8.351 -14.425 1.00 12.30 H new ATOM 0 HG12 ILE A 11 9.514 -10.977 -13.369 1.00 73.50 H new ATOM 0 HG13 ILE A 11 8.575 -9.805 -12.466 1.00 73.50 H new ATOM 0 HG21 ILE A 11 8.434 -10.072 -16.179 1.00 74.44 H new ATOM 0 HG22 ILE A 11 9.620 -8.784 -16.498 1.00 74.44 H new ATOM 0 HG23 ILE A 11 10.164 -10.362 -15.879 1.00 74.44 H new ATOM 0 HD11 ILE A 11 7.133 -11.648 -13.275 1.00 31.21 H new ATOM 0 HD12 ILE A 11 6.662 -10.109 -14.035 1.00 31.21 H new ATOM 0 HD13 ILE A 11 7.616 -11.299 -14.952 1.00 31.21 H new ATOM 181 N MET A 12 10.687 -6.728 -15.561 1.00 24.33 N ATOM 182 CA MET A 12 11.331 -5.961 -16.615 1.00 1.20 C ATOM 183 C MET A 12 12.582 -5.252 -16.092 1.00 33.53 C ATOM 184 O MET A 12 13.367 -4.715 -16.871 1.00 42.35 O ATOM 185 CB MET A 12 10.348 -4.925 -17.163 1.00 60.40 C ATOM 186 CG MET A 12 9.463 -5.532 -18.254 1.00 23.04 C ATOM 187 SD MET A 12 10.426 -5.830 -19.726 1.00 15.25 S ATOM 188 CE MET A 12 9.625 -4.702 -20.855 1.00 65.42 C ATOM 0 H MET A 12 9.754 -6.404 -15.306 1.00 24.33 H new ATOM 0 HA MET A 12 11.631 -6.647 -17.407 1.00 1.20 H new ATOM 0 HB2 MET A 12 9.725 -4.546 -16.353 1.00 60.40 H new ATOM 0 HB3 MET A 12 10.898 -4.075 -17.567 1.00 60.40 H new ATOM 0 HG2 MET A 12 9.025 -6.466 -17.901 1.00 23.04 H new ATOM 0 HG3 MET A 12 8.637 -4.858 -18.480 1.00 23.04 H new ATOM 0 HE1 MET A 12 10.106 -4.761 -21.831 1.00 65.42 H new ATOM 0 HE2 MET A 12 8.573 -4.970 -20.952 1.00 65.42 H new ATOM 0 HE3 MET A 12 9.706 -3.685 -20.472 1.00 65.42 H new ATOM 198 N LYS A 13 12.729 -5.273 -14.775 1.00 62.15 N ATOM 199 CA LYS A 13 13.870 -4.640 -14.138 1.00 62.04 C ATOM 200 C LYS A 13 14.760 -5.714 -13.509 1.00 3.45 C ATOM 201 O LYS A 13 15.983 -5.592 -13.511 1.00 2.42 O ATOM 202 CB LYS A 13 13.407 -3.568 -13.150 1.00 42.23 C ATOM 203 CG LYS A 13 12.788 -2.377 -13.883 1.00 64.41 C ATOM 204 CD LYS A 13 12.501 -1.226 -12.916 1.00 24.41 C ATOM 205 CE LYS A 13 11.492 -0.245 -13.515 1.00 3.12 C ATOM 206 NZ LYS A 13 12.147 0.626 -14.516 1.00 43.44 N1+ ATOM 0 H LYS A 13 12.075 -5.719 -14.132 1.00 62.15 H new ATOM 0 HA LYS A 13 14.476 -4.117 -14.878 1.00 62.04 H new ATOM 0 HB2 LYS A 13 12.678 -3.994 -12.461 1.00 42.23 H new ATOM 0 HB3 LYS A 13 14.253 -3.231 -12.551 1.00 42.23 H new ATOM 0 HG2 LYS A 13 13.464 -2.037 -14.668 1.00 64.41 H new ATOM 0 HG3 LYS A 13 11.863 -2.686 -14.370 1.00 64.41 H new ATOM 0 HD2 LYS A 13 12.114 -1.623 -11.977 1.00 24.41 H new ATOM 0 HD3 LYS A 13 13.428 -0.702 -12.683 1.00 24.41 H new ATOM 0 HE2 LYS A 13 10.675 -0.795 -13.982 1.00 3.12 H new ATOM 0 HE3 LYS A 13 11.055 0.365 -12.724 1.00 3.12 H new ATOM 0 HZ1 LYS A 13 11.648 1.537 -14.563 1.00 43.44 H new ATOM 0 HZ2 LYS A 13 13.137 0.788 -14.241 1.00 43.44 H new ATOM 0 HZ3 LYS A 13 12.118 0.166 -15.448 1.00 43.44 H new ATOM 219 N CYS A 14 14.109 -6.743 -12.985 1.00 12.24 N ATOM 220 CA CYS A 14 14.825 -7.838 -12.353 1.00 32.54 C ATOM 221 C CYS A 14 14.248 -9.154 -12.876 1.00 32.32 C ATOM 222 O CYS A 14 13.496 -9.829 -12.175 1.00 22.25 O ATOM 223 CB CYS A 14 14.758 -7.752 -10.827 1.00 14.53 C ATOM 224 SG CYS A 14 14.596 -6.055 -10.161 1.00 23.33 S ATOM 0 H CYS A 14 13.094 -6.841 -12.985 1.00 12.24 H new ATOM 0 HA CYS A 14 15.883 -7.779 -12.608 1.00 32.54 H new ATOM 0 HB2 CYS A 14 13.912 -8.346 -10.480 1.00 14.53 H new ATOM 0 HB3 CYS A 14 15.658 -8.206 -10.412 1.00 14.53 H new ATOM 229 N SER A 15 14.620 -9.480 -14.105 1.00 63.31 N ATOM 230 CA SER A 15 14.149 -10.704 -14.730 1.00 52.21 C ATOM 231 C SER A 15 15.308 -11.691 -14.890 1.00 14.32 C ATOM 232 O SER A 15 16.438 -11.288 -15.158 1.00 24.42 O ATOM 233 CB SER A 15 13.506 -10.417 -16.089 1.00 24.11 C ATOM 234 OG SER A 15 14.082 -9.276 -16.721 1.00 62.04 O ATOM 0 H SER A 15 15.243 -8.917 -14.685 1.00 63.31 H new ATOM 0 HA SER A 15 13.390 -11.146 -14.085 1.00 52.21 H new ATOM 0 HB2 SER A 15 13.621 -11.287 -16.736 1.00 24.11 H new ATOM 0 HB3 SER A 15 12.436 -10.257 -15.957 1.00 24.11 H new ATOM 0 HG SER A 15 13.517 -8.492 -16.559 1.00 62.04 H new ATOM 240 N GLN A 16 14.986 -12.964 -14.718 1.00 3.25 N ATOM 241 CA GLN A 16 15.986 -14.012 -14.840 1.00 0.11 C ATOM 242 C GLN A 16 17.312 -13.553 -14.229 1.00 64.21 C ATOM 243 O GLN A 16 18.382 -13.874 -14.746 1.00 52.24 O ATOM 244 CB GLN A 16 16.170 -14.428 -16.301 1.00 55.01 C ATOM 245 CG GLN A 16 15.039 -15.354 -16.754 1.00 51.45 C ATOM 246 CD GLN A 16 15.184 -15.713 -18.233 1.00 65.25 C ATOM 247 OE1 GLN A 16 16.192 -16.241 -18.676 1.00 12.42 O ATOM 248 NE2 GLN A 16 14.124 -15.398 -18.972 1.00 43.12 N ATOM 0 H GLN A 16 14.047 -13.294 -14.495 1.00 3.25 H new ATOM 0 HA GLN A 16 15.637 -14.886 -14.290 1.00 0.11 H new ATOM 0 HB2 GLN A 16 16.195 -13.542 -16.935 1.00 55.01 H new ATOM 0 HB3 GLN A 16 17.128 -14.933 -16.421 1.00 55.01 H new ATOM 0 HG2 GLN A 16 15.046 -16.263 -16.153 1.00 51.45 H new ATOM 0 HG3 GLN A 16 14.078 -14.869 -16.586 1.00 51.45 H new ATOM 0 HE21 GLN A 16 13.313 -14.958 -18.538 1.00 43.12 H new ATOM 0 HE22 GLN A 16 14.122 -15.597 -19.972 1.00 43.12 H new ATOM 257 N CYS A 17 17.199 -12.808 -13.139 1.00 41.41 N ATOM 258 CA CYS A 17 18.376 -12.301 -12.453 1.00 75.41 C ATOM 259 C CYS A 17 18.190 -12.527 -10.952 1.00 51.53 C ATOM 260 O CYS A 17 19.086 -13.041 -10.283 1.00 52.44 O ATOM 261 CB CYS A 17 18.633 -10.830 -12.783 1.00 31.53 C ATOM 262 SG CYS A 17 19.738 -10.544 -14.212 1.00 22.31 S ATOM 0 H CYS A 17 16.310 -12.543 -12.714 1.00 41.41 H new ATOM 0 HA CYS A 17 19.260 -12.840 -12.793 1.00 75.41 H new ATOM 0 HB2 CYS A 17 17.677 -10.344 -12.978 1.00 31.53 H new ATOM 0 HB3 CYS A 17 19.064 -10.346 -11.907 1.00 31.53 H new ATOM 267 N HIS A 18 17.023 -12.131 -10.467 1.00 64.33 N ATOM 268 CA HIS A 18 16.709 -12.283 -9.056 1.00 50.04 C ATOM 269 C HIS A 18 15.540 -13.257 -8.892 1.00 45.23 C ATOM 270 O HIS A 18 14.505 -13.103 -9.538 1.00 13.43 O ATOM 271 CB HIS A 18 16.443 -10.923 -8.409 1.00 30.21 C ATOM 272 CG HIS A 18 17.687 -10.103 -8.169 1.00 12.01 C ATOM 273 ND1 HIS A 18 18.668 -10.475 -7.265 1.00 53.33 N ATOM 274 CD2 HIS A 18 18.100 -8.928 -8.724 1.00 63.45 C ATOM 275 CE1 HIS A 18 19.624 -9.557 -7.284 1.00 1.34 C ATOM 276 NE2 HIS A 18 19.270 -8.599 -8.187 1.00 4.41 N ATOM 0 H HIS A 18 16.283 -11.705 -11.025 1.00 64.33 H new ATOM 0 HA HIS A 18 17.566 -12.707 -8.533 1.00 50.04 H new ATOM 0 HB2 HIS A 18 15.764 -10.356 -9.046 1.00 30.21 H new ATOM 0 HB3 HIS A 18 15.934 -11.078 -7.458 1.00 30.21 H new ATOM 0 HD1 HIS A 18 18.657 -11.313 -6.683 1.00 53.33 H new ATOM 0 HD2 HIS A 18 17.567 -8.361 -9.473 1.00 63.45 H new ATOM 0 HE1 HIS A 18 20.525 -9.566 -6.689 1.00 1.34 H new ATOM 284 N THR A 19 15.745 -14.238 -8.025 1.00 3.13 N ATOM 285 CA THR A 19 14.721 -15.237 -7.769 1.00 10.30 C ATOM 286 C THR A 19 13.710 -14.714 -6.746 1.00 53.54 C ATOM 287 O THR A 19 12.530 -15.055 -6.803 1.00 63.55 O ATOM 288 CB THR A 19 15.418 -16.526 -7.331 1.00 22.40 C ATOM 289 OG1 THR A 19 16.304 -16.108 -6.298 1.00 12.31 O ATOM 290 CG2 THR A 19 16.344 -17.087 -8.412 1.00 53.02 C ATOM 0 H THR A 19 16.605 -14.362 -7.491 1.00 3.13 H new ATOM 0 HA THR A 19 14.144 -15.452 -8.668 1.00 10.30 H new ATOM 0 HB THR A 19 14.668 -17.274 -7.071 1.00 22.40 H new ATOM 0 HG1 THR A 19 16.907 -16.845 -6.066 1.00 12.31 H new ATOM 0 HG21 THR A 19 16.814 -18.002 -8.050 1.00 53.02 H new ATOM 0 HG22 THR A 19 15.765 -17.307 -9.309 1.00 53.02 H new ATOM 0 HG23 THR A 19 17.114 -16.353 -8.648 1.00 53.02 H new ATOM 298 N VAL A 20 14.212 -13.893 -5.834 1.00 23.12 N ATOM 299 CA VAL A 20 13.367 -13.321 -4.799 1.00 24.13 C ATOM 300 C VAL A 20 12.493 -14.420 -4.193 1.00 41.42 C ATOM 301 O VAL A 20 11.275 -14.270 -4.100 1.00 25.44 O ATOM 302 CB VAL A 20 12.554 -12.158 -5.372 1.00 32.22 C ATOM 303 CG1 VAL A 20 13.471 -11.032 -5.853 1.00 62.12 C ATOM 304 CG2 VAL A 20 11.634 -12.634 -6.498 1.00 12.44 C ATOM 0 H VAL A 20 15.191 -13.611 -5.791 1.00 23.12 H new ATOM 0 HA VAL A 20 13.975 -12.910 -3.993 1.00 24.13 H new ATOM 0 HB VAL A 20 11.928 -11.762 -4.573 1.00 32.22 H new ATOM 0 HG11 VAL A 20 12.868 -10.218 -6.255 1.00 62.12 H new ATOM 0 HG12 VAL A 20 14.065 -10.664 -5.016 1.00 62.12 H new ATOM 0 HG13 VAL A 20 14.135 -11.410 -6.630 1.00 62.12 H new ATOM 0 HG21 VAL A 20 11.068 -11.788 -6.887 1.00 12.44 H new ATOM 0 HG22 VAL A 20 12.233 -13.069 -7.298 1.00 12.44 H new ATOM 0 HG23 VAL A 20 10.945 -13.385 -6.112 1.00 12.44 H new ATOM 314 N GLU A 21 13.148 -15.501 -3.795 1.00 11.10 N ATOM 315 CA GLU A 21 12.445 -16.625 -3.201 1.00 25.04 C ATOM 316 C GLU A 21 13.093 -17.011 -1.869 1.00 12.30 C ATOM 317 O GLU A 21 14.063 -16.387 -1.442 1.00 52.20 O ATOM 318 CB GLU A 21 12.409 -17.818 -4.158 1.00 44.12 C ATOM 319 CG GLU A 21 13.805 -18.123 -4.706 1.00 55.24 C ATOM 320 CD GLU A 21 13.735 -19.140 -5.848 1.00 31.53 C ATOM 321 OE1 GLU A 21 12.643 -19.627 -6.178 1.00 42.20 O ATOM 322 OE2 GLU A 21 14.866 -19.418 -6.400 1.00 50.23 O1- ATOM 0 H GLU A 21 14.158 -15.622 -3.872 1.00 11.10 H new ATOM 0 HA GLU A 21 11.415 -16.324 -3.010 1.00 25.04 H new ATOM 0 HB2 GLU A 21 12.019 -18.694 -3.639 1.00 44.12 H new ATOM 0 HB3 GLU A 21 11.729 -17.607 -4.983 1.00 44.12 H new ATOM 0 HG2 GLU A 21 14.269 -17.203 -5.061 1.00 55.24 H new ATOM 0 HG3 GLU A 21 14.437 -18.511 -3.907 1.00 55.24 H new ATOM 330 N LYS A 22 12.529 -18.037 -1.249 1.00 73.14 N ATOM 331 CA LYS A 22 13.039 -18.513 0.026 1.00 13.40 C ATOM 332 C LYS A 22 14.290 -19.361 -0.215 1.00 71.42 C ATOM 333 O LYS A 22 14.192 -20.550 -0.512 1.00 40.23 O ATOM 334 CB LYS A 22 11.942 -19.244 0.802 1.00 60.13 C ATOM 335 CG LYS A 22 12.354 -19.463 2.259 1.00 54.23 C ATOM 336 CD LYS A 22 11.325 -20.319 2.998 1.00 32.02 C ATOM 337 CE LYS A 22 9.946 -19.657 2.980 1.00 72.12 C ATOM 338 NZ LYS A 22 8.974 -20.460 3.755 1.00 5.33 N1+ ATOM 0 H LYS A 22 11.724 -18.552 -1.606 1.00 73.14 H new ATOM 0 HA LYS A 22 13.338 -17.674 0.654 1.00 13.40 H new ATOM 0 HB2 LYS A 22 11.018 -18.666 0.764 1.00 60.13 H new ATOM 0 HB3 LYS A 22 11.736 -20.205 0.330 1.00 60.13 H new ATOM 0 HG2 LYS A 22 13.329 -19.948 2.296 1.00 54.23 H new ATOM 0 HG3 LYS A 22 12.458 -18.500 2.760 1.00 54.23 H new ATOM 0 HD2 LYS A 22 11.266 -21.304 2.534 1.00 32.02 H new ATOM 0 HD3 LYS A 22 11.646 -20.471 4.029 1.00 32.02 H new ATOM 0 HE2 LYS A 22 10.013 -18.653 3.399 1.00 72.12 H new ATOM 0 HE3 LYS A 22 9.601 -19.551 1.952 1.00 72.12 H new ATOM 0 HZ1 LYS A 22 8.044 -19.996 3.732 1.00 5.33 H new ATOM 0 HZ2 LYS A 22 8.898 -21.410 3.338 1.00 5.33 H new ATOM 0 HZ3 LYS A 22 9.297 -20.540 4.740 1.00 5.33 H new ATOM 351 N GLY A 23 15.439 -18.714 -0.077 1.00 32.25 N ATOM 352 CA GLY A 23 16.708 -19.394 -0.276 1.00 1.23 C ATOM 353 C GLY A 23 16.626 -20.379 -1.444 1.00 60.40 C ATOM 354 O GLY A 23 16.949 -21.556 -1.292 1.00 40.12 O ATOM 0 H GLY A 23 15.517 -17.727 0.170 1.00 32.25 H new ATOM 0 HA2 GLY A 23 17.491 -18.661 -0.469 1.00 1.23 H new ATOM 0 HA3 GLY A 23 16.986 -19.926 0.634 1.00 1.23 H new ATOM 358 N GLY A 24 16.191 -19.861 -2.583 1.00 42.54 N ATOM 359 CA GLY A 24 16.062 -20.680 -3.777 1.00 13.42 C ATOM 360 C GLY A 24 17.361 -20.679 -4.585 1.00 24.43 C ATOM 361 O GLY A 24 18.438 -20.449 -4.036 1.00 31.23 O ATOM 0 H GLY A 24 15.923 -18.884 -2.705 1.00 42.54 H new ATOM 0 HA2 GLY A 24 15.805 -21.701 -3.496 1.00 13.42 H new ATOM 0 HA3 GLY A 24 15.246 -20.304 -4.394 1.00 13.42 H new ATOM 365 N LYS A 25 17.218 -20.939 -5.876 1.00 43.10 N ATOM 366 CA LYS A 25 18.366 -20.972 -6.766 1.00 25.50 C ATOM 367 C LYS A 25 19.157 -19.670 -6.618 1.00 31.53 C ATOM 368 O LYS A 25 18.838 -18.839 -5.769 1.00 63.34 O ATOM 369 CB LYS A 25 17.924 -21.262 -8.201 1.00 45.42 C ATOM 370 CG LYS A 25 17.762 -22.767 -8.431 1.00 33.12 C ATOM 371 CD LYS A 25 16.836 -23.385 -7.380 1.00 51.15 C ATOM 372 CE LYS A 25 16.462 -24.820 -7.757 1.00 20.45 C ATOM 373 NZ LYS A 25 15.639 -24.835 -8.987 1.00 61.34 N1+ ATOM 0 H LYS A 25 16.323 -21.129 -6.328 1.00 43.10 H new ATOM 0 HA LYS A 25 19.036 -21.787 -6.493 1.00 25.50 H new ATOM 0 HB2 LYS A 25 16.980 -20.756 -8.404 1.00 45.42 H new ATOM 0 HB3 LYS A 25 18.658 -20.861 -8.900 1.00 45.42 H new ATOM 0 HG2 LYS A 25 17.357 -22.945 -9.427 1.00 33.12 H new ATOM 0 HG3 LYS A 25 18.737 -23.252 -8.392 1.00 33.12 H new ATOM 0 HD2 LYS A 25 17.327 -23.377 -6.407 1.00 51.15 H new ATOM 0 HD3 LYS A 25 15.933 -22.782 -7.286 1.00 51.15 H new ATOM 0 HE2 LYS A 25 17.366 -25.409 -7.910 1.00 20.45 H new ATOM 0 HE3 LYS A 25 15.912 -25.286 -6.939 1.00 20.45 H new ATOM 0 HZ1 LYS A 25 15.106 -25.727 -9.037 1.00 61.34 H new ATOM 0 HZ2 LYS A 25 14.975 -24.035 -8.970 1.00 61.34 H new ATOM 0 HZ3 LYS A 25 16.257 -24.754 -9.819 1.00 61.34 H new ATOM 386 N HIS A 26 20.174 -19.535 -7.456 1.00 35.31 N ATOM 387 CA HIS A 26 21.013 -18.348 -7.429 1.00 31.21 C ATOM 388 C HIS A 26 21.161 -17.792 -8.847 1.00 31.35 C ATOM 389 O HIS A 26 22.216 -17.926 -9.464 1.00 63.11 O ATOM 390 CB HIS A 26 22.359 -18.650 -6.768 1.00 60.42 C ATOM 391 CG HIS A 26 22.276 -18.852 -5.274 1.00 74.52 C ATOM 392 ND1 HIS A 26 22.685 -17.891 -4.364 1.00 53.11 N ATOM 393 CD2 HIS A 26 21.828 -19.911 -4.540 1.00 43.12 C ATOM 394 CE1 HIS A 26 22.488 -18.363 -3.141 1.00 4.22 C ATOM 395 NE2 HIS A 26 21.957 -19.615 -3.253 1.00 45.54 N ATOM 0 H HIS A 26 20.436 -20.227 -8.158 1.00 35.31 H new ATOM 0 HA HIS A 26 20.540 -17.577 -6.821 1.00 31.21 H new ATOM 0 HB2 HIS A 26 22.783 -19.545 -7.223 1.00 60.42 H new ATOM 0 HB3 HIS A 26 23.047 -17.830 -6.976 1.00 60.42 H new ATOM 0 HD2 HIS A 26 21.435 -20.834 -4.939 1.00 43.12 H new ATOM 0 HE1 HIS A 26 22.709 -17.847 -2.218 1.00 4.22 H new ATOM 0 HE2 HIS A 26 21.701 -20.223 -2.475 1.00 45.54 H new ATOM 403 N LYS A 27 20.087 -17.179 -9.323 1.00 43.43 N ATOM 404 CA LYS A 27 20.084 -16.602 -10.656 1.00 42.03 C ATOM 405 C LYS A 27 21.274 -15.652 -10.798 1.00 2.45 C ATOM 406 O LYS A 27 22.117 -15.569 -9.907 1.00 22.32 O ATOM 407 CB LYS A 27 18.733 -15.945 -10.952 1.00 4.12 C ATOM 408 CG LYS A 27 17.656 -17.000 -11.210 1.00 44.14 C ATOM 409 CD LYS A 27 17.898 -17.718 -12.540 1.00 74.23 C ATOM 410 CE LYS A 27 18.027 -16.715 -13.688 1.00 2.05 C ATOM 411 NZ LYS A 27 17.932 -17.408 -14.992 1.00 22.44 N1+ ATOM 0 H LYS A 27 19.213 -17.070 -8.809 1.00 43.43 H new ATOM 0 HA LYS A 27 20.206 -17.381 -11.409 1.00 42.03 H new ATOM 0 HB2 LYS A 27 18.438 -15.317 -10.111 1.00 4.12 H new ATOM 0 HB3 LYS A 27 18.824 -15.293 -11.821 1.00 4.12 H new ATOM 0 HG2 LYS A 27 17.651 -17.726 -10.397 1.00 44.14 H new ATOM 0 HG3 LYS A 27 16.674 -16.527 -11.222 1.00 44.14 H new ATOM 0 HD2 LYS A 27 18.805 -18.319 -12.473 1.00 74.23 H new ATOM 0 HD3 LYS A 27 17.075 -18.404 -12.742 1.00 74.23 H new ATOM 0 HE2 LYS A 27 17.243 -15.962 -13.611 1.00 2.05 H new ATOM 0 HE3 LYS A 27 18.980 -16.191 -13.616 1.00 2.05 H new ATOM 0 HZ1 LYS A 27 18.139 -16.736 -15.758 1.00 22.44 H new ATOM 0 HZ2 LYS A 27 18.619 -18.189 -15.021 1.00 22.44 H new ATOM 0 HZ3 LYS A 27 16.971 -17.787 -15.114 1.00 22.44 H new ATOM 424 N THR A 28 21.304 -14.957 -11.927 1.00 45.00 N ATOM 425 CA THR A 28 22.378 -14.016 -12.198 1.00 61.12 C ATOM 426 C THR A 28 22.762 -13.264 -10.922 1.00 45.43 C ATOM 427 O THR A 28 23.913 -12.865 -10.755 1.00 2.21 O ATOM 428 CB THR A 28 21.924 -13.096 -13.332 1.00 35.30 C ATOM 429 OG1 THR A 28 21.333 -13.979 -14.281 1.00 61.25 O ATOM 430 CG2 THR A 28 23.101 -12.472 -14.086 1.00 51.31 C ATOM 0 H THR A 28 20.602 -15.027 -12.664 1.00 45.00 H new ATOM 0 HA THR A 28 23.284 -14.530 -12.520 1.00 61.12 H new ATOM 0 HB THR A 28 21.292 -12.306 -12.927 1.00 35.30 H new ATOM 0 HG1 THR A 28 20.377 -13.780 -14.362 1.00 61.25 H new ATOM 0 HG21 THR A 28 22.724 -11.828 -14.880 1.00 51.31 H new ATOM 0 HG22 THR A 28 23.704 -11.882 -13.396 1.00 51.31 H new ATOM 0 HG23 THR A 28 23.715 -13.261 -14.520 1.00 51.31 H new ATOM 438 N GLY A 29 21.776 -13.094 -10.054 1.00 10.45 N ATOM 439 CA GLY A 29 21.996 -12.398 -8.798 1.00 52.43 C ATOM 440 C GLY A 29 21.785 -13.334 -7.606 1.00 73.33 C ATOM 441 O GLY A 29 21.202 -14.407 -7.752 1.00 12.41 O ATOM 0 H GLY A 29 20.822 -13.426 -10.196 1.00 10.45 H new ATOM 0 HA2 GLY A 29 23.009 -11.996 -8.774 1.00 52.43 H new ATOM 0 HA3 GLY A 29 21.315 -11.550 -8.724 1.00 52.43 H new ATOM 445 N PRO A 30 22.281 -12.881 -6.424 1.00 64.11 N ATOM 446 CA PRO A 30 22.153 -13.666 -5.209 1.00 53.23 C ATOM 447 C PRO A 30 20.722 -13.610 -4.668 1.00 41.02 C ATOM 448 O PRO A 30 20.030 -12.608 -4.838 1.00 1.24 O ATOM 449 CB PRO A 30 23.174 -13.077 -4.249 1.00 21.01 C ATOM 450 CG PRO A 30 23.507 -11.697 -4.792 1.00 61.15 C ATOM 451 CD PRO A 30 22.976 -11.615 -6.214 1.00 30.43 C ATOM 0 HA PRO A 30 22.345 -14.726 -5.372 1.00 53.23 H new ATOM 0 HB2 PRO A 30 22.769 -13.012 -3.239 1.00 21.01 H new ATOM 0 HB3 PRO A 30 24.066 -13.702 -4.195 1.00 21.01 H new ATOM 0 HG2 PRO A 30 23.056 -10.923 -4.171 1.00 61.15 H new ATOM 0 HG3 PRO A 30 24.584 -11.530 -4.777 1.00 61.15 H new ATOM 0 HD2 PRO A 30 22.301 -10.768 -6.336 1.00 30.43 H new ATOM 0 HD3 PRO A 30 23.786 -11.484 -6.932 1.00 30.43 H new ATOM 459 N ASN A 31 20.322 -14.700 -4.029 1.00 42.21 N ATOM 460 CA ASN A 31 18.987 -14.787 -3.463 1.00 54.23 C ATOM 461 C ASN A 31 18.788 -13.649 -2.460 1.00 24.12 C ATOM 462 O ASN A 31 19.719 -13.269 -1.753 1.00 22.02 O ATOM 463 CB ASN A 31 18.789 -16.110 -2.721 1.00 1.42 C ATOM 464 CG ASN A 31 17.329 -16.291 -2.301 1.00 33.11 C ATOM 465 OD1 ASN A 31 16.574 -16.897 -3.213 1.00 34.33 O flip ATOM 466 ND2 ASN A 31 16.914 -15.904 -1.219 1.00 24.23 N flip ATOM 0 H ASN A 31 20.899 -15.530 -3.891 1.00 42.21 H new ATOM 0 HA ASN A 31 18.269 -14.720 -4.280 1.00 54.23 H new ATOM 0 HB2 ASN A 31 19.092 -16.939 -3.361 1.00 1.42 H new ATOM 0 HB3 ASN A 31 19.430 -16.136 -1.840 1.00 1.42 H new ATOM 0 HD21 ASN A 31 17.548 -15.446 -0.564 1.00 24.23 H new ATOM 0 HD22 ASN A 31 15.934 -16.039 -0.971 1.00 24.23 H new ATOM 473 N LEU A 32 17.566 -13.136 -2.431 1.00 74.54 N ATOM 474 CA LEU A 32 17.232 -12.049 -1.527 1.00 5.51 C ATOM 475 C LEU A 32 16.035 -12.456 -0.666 1.00 71.53 C ATOM 476 O LEU A 32 14.896 -12.112 -0.978 1.00 22.25 O ATOM 477 CB LEU A 32 17.015 -10.750 -2.307 1.00 14.14 C ATOM 478 CG LEU A 32 17.985 -10.492 -3.462 1.00 30.32 C ATOM 479 CD1 LEU A 32 17.590 -9.234 -4.239 1.00 72.11 C ATOM 480 CD2 LEU A 32 19.429 -10.427 -2.961 1.00 23.23 C ATOM 0 H LEU A 32 16.796 -13.453 -3.019 1.00 74.54 H new ATOM 0 HA LEU A 32 18.061 -11.851 -0.848 1.00 5.51 H new ATOM 0 HB2 LEU A 32 16.000 -10.753 -2.705 1.00 14.14 H new ATOM 0 HB3 LEU A 32 17.081 -9.915 -1.609 1.00 14.14 H new ATOM 0 HG LEU A 32 17.922 -11.331 -4.155 1.00 30.32 H new ATOM 0 HD11 LEU A 32 18.295 -9.073 -5.054 1.00 72.11 H new ATOM 0 HD12 LEU A 32 16.587 -9.358 -4.646 1.00 72.11 H new ATOM 0 HD13 LEU A 32 17.606 -8.373 -3.570 1.00 72.11 H new ATOM 0 HD21 LEU A 32 20.098 -10.243 -3.802 1.00 23.23 H new ATOM 0 HD22 LEU A 32 19.527 -9.619 -2.236 1.00 23.23 H new ATOM 0 HD23 LEU A 32 19.693 -11.373 -2.488 1.00 23.23 H new ATOM 492 N HIS A 33 16.333 -13.185 0.399 1.00 14.50 N ATOM 493 CA HIS A 33 15.295 -13.643 1.307 1.00 13.44 C ATOM 494 C HIS A 33 15.305 -12.784 2.573 1.00 62.54 C ATOM 495 O HIS A 33 14.249 -12.435 3.099 1.00 23.12 O ATOM 496 CB HIS A 33 15.452 -15.137 1.602 1.00 5.43 C ATOM 497 CG HIS A 33 14.867 -15.565 2.927 1.00 22.13 C ATOM 498 ND1 HIS A 33 13.516 -15.477 3.213 1.00 13.25 N ATOM 499 CD2 HIS A 33 15.464 -16.088 4.037 1.00 23.11 C ATOM 500 CE1 HIS A 33 13.319 -15.927 4.444 1.00 64.43 C ATOM 501 NE2 HIS A 33 14.528 -16.305 4.953 1.00 50.42 N ATOM 0 H HIS A 33 17.279 -13.470 0.654 1.00 14.50 H new ATOM 0 HA HIS A 33 14.318 -13.525 0.838 1.00 13.44 H new ATOM 0 HB2 HIS A 33 14.975 -15.707 0.805 1.00 5.43 H new ATOM 0 HB3 HIS A 33 16.512 -15.391 1.585 1.00 5.43 H new ATOM 0 HD2 HIS A 33 16.519 -16.291 4.151 1.00 23.11 H new ATOM 0 HE1 HIS A 33 12.369 -15.985 4.955 1.00 64.43 H new ATOM 0 HE2 HIS A 33 14.686 -16.691 5.884 1.00 50.42 H new ATOM 509 N GLY A 34 16.509 -12.470 3.027 1.00 75.21 N ATOM 510 CA GLY A 34 16.671 -11.659 4.222 1.00 51.24 C ATOM 511 C GLY A 34 17.015 -10.213 3.861 1.00 41.32 C ATOM 512 O GLY A 34 17.668 -9.515 4.634 1.00 23.54 O ATOM 0 H GLY A 34 17.382 -12.763 2.589 1.00 75.21 H new ATOM 0 HA2 GLY A 34 15.753 -11.682 4.809 1.00 51.24 H new ATOM 0 HA3 GLY A 34 17.459 -12.079 4.847 1.00 51.24 H new ATOM 516 N LEU A 35 16.561 -9.806 2.684 1.00 32.14 N ATOM 517 CA LEU A 35 16.812 -8.455 2.211 1.00 14.33 C ATOM 518 C LEU A 35 16.660 -7.474 3.376 1.00 14.32 C ATOM 519 O LEU A 35 17.640 -6.884 3.826 1.00 23.33 O ATOM 520 CB LEU A 35 15.917 -8.132 1.014 1.00 1.34 C ATOM 521 CG LEU A 35 16.197 -6.804 0.306 1.00 70.13 C ATOM 522 CD1 LEU A 35 17.362 -6.941 -0.676 1.00 23.22 C ATOM 523 CD2 LEU A 35 14.935 -6.268 -0.374 1.00 20.03 C ATOM 0 H LEU A 35 16.021 -10.388 2.044 1.00 32.14 H new ATOM 0 HA LEU A 35 17.836 -8.362 1.848 1.00 14.33 H new ATOM 0 HB2 LEU A 35 16.014 -8.937 0.285 1.00 1.34 H new ATOM 0 HB3 LEU A 35 14.880 -8.130 1.351 1.00 1.34 H new ATOM 0 HG LEU A 35 16.493 -6.073 1.058 1.00 70.13 H new ATOM 0 HD11 LEU A 35 17.540 -5.983 -1.165 1.00 23.22 H new ATOM 0 HD12 LEU A 35 18.259 -7.245 -0.136 1.00 23.22 H new ATOM 0 HD13 LEU A 35 17.118 -7.692 -1.427 1.00 23.22 H new ATOM 0 HD21 LEU A 35 15.162 -5.324 -0.869 1.00 20.03 H new ATOM 0 HD22 LEU A 35 14.585 -6.990 -1.112 1.00 20.03 H new ATOM 0 HD23 LEU A 35 14.159 -6.108 0.374 1.00 20.03 H new ATOM 535 N PHE A 36 15.423 -7.333 3.829 1.00 5.35 N ATOM 536 CA PHE A 36 15.130 -6.433 4.933 1.00 22.24 C ATOM 537 C PHE A 36 15.558 -7.047 6.268 1.00 61.41 C ATOM 538 O PHE A 36 14.812 -7.820 6.866 1.00 2.04 O ATOM 539 CB PHE A 36 13.615 -6.220 4.946 1.00 52.13 C ATOM 540 CG PHE A 36 13.130 -5.147 3.968 1.00 23.51 C ATOM 541 CD1 PHE A 36 13.147 -3.837 4.334 1.00 33.42 C ATOM 542 CD2 PHE A 36 12.681 -5.503 2.735 1.00 23.43 C ATOM 543 CE1 PHE A 36 12.697 -2.841 3.428 1.00 1.43 C ATOM 544 CE2 PHE A 36 12.231 -4.507 1.829 1.00 12.33 C ATOM 545 CZ PHE A 36 12.248 -3.197 2.194 1.00 2.54 C ATOM 0 H PHE A 36 14.613 -7.826 3.453 1.00 5.35 H new ATOM 0 HA PHE A 36 15.672 -5.496 4.804 1.00 22.24 H new ATOM 0 HB2 PHE A 36 13.124 -7.163 4.708 1.00 52.13 H new ATOM 0 HB3 PHE A 36 13.305 -5.945 5.954 1.00 52.13 H new ATOM 0 HD1 PHE A 36 13.503 -3.555 5.314 1.00 33.42 H new ATOM 0 HD2 PHE A 36 12.667 -6.543 2.445 1.00 23.43 H new ATOM 0 HE1 PHE A 36 12.711 -1.801 3.718 1.00 1.43 H new ATOM 0 HE2 PHE A 36 11.875 -4.790 0.849 1.00 12.33 H new ATOM 0 HZ PHE A 36 11.905 -2.440 1.505 1.00 2.54 H new ATOM 555 N GLY A 37 16.756 -6.677 6.695 1.00 15.13 N ATOM 556 CA GLY A 37 17.292 -7.181 7.949 1.00 44.23 C ATOM 557 C GLY A 37 18.547 -8.022 7.709 1.00 13.23 C ATOM 558 O GLY A 37 18.812 -8.972 8.445 1.00 33.14 O ATOM 0 H GLY A 37 17.371 -6.034 6.196 1.00 15.13 H new ATOM 0 HA2 GLY A 37 17.530 -6.347 8.609 1.00 44.23 H new ATOM 0 HA3 GLY A 37 16.538 -7.783 8.455 1.00 44.23 H new ATOM 562 N ARG A 38 19.288 -7.642 6.678 1.00 71.12 N ATOM 563 CA ARG A 38 20.509 -8.349 6.333 1.00 72.15 C ATOM 564 C ARG A 38 21.555 -7.371 5.794 1.00 53.24 C ATOM 565 O ARG A 38 21.229 -6.473 5.018 1.00 74.14 O ATOM 566 CB ARG A 38 20.242 -9.429 5.283 1.00 13.11 C ATOM 567 CG ARG A 38 21.532 -10.165 4.912 1.00 61.12 C ATOM 568 CD ARG A 38 21.275 -11.208 3.823 1.00 23.15 C ATOM 569 NE ARG A 38 20.464 -12.319 4.367 1.00 44.20 N ATOM 570 CZ ARG A 38 20.914 -13.209 5.278 1.00 15.22 C ATOM 571 NH1 ARG A 38 22.174 -13.124 5.754 1.00 2.45 N ATOM 572 NH2 ARG A 38 20.103 -14.163 5.696 1.00 43.34 N1+ ATOM 0 H ARG A 38 19.066 -6.853 6.071 1.00 71.12 H new ATOM 0 HA ARG A 38 20.884 -8.824 7.239 1.00 72.15 H new ATOM 0 HB2 ARG A 38 19.511 -10.141 5.666 1.00 13.11 H new ATOM 0 HB3 ARG A 38 19.809 -8.975 4.392 1.00 13.11 H new ATOM 0 HG2 ARG A 38 22.277 -9.448 4.566 1.00 61.12 H new ATOM 0 HG3 ARG A 38 21.944 -10.651 5.796 1.00 61.12 H new ATOM 0 HD2 ARG A 38 20.757 -10.747 2.982 1.00 23.15 H new ATOM 0 HD3 ARG A 38 22.223 -11.591 3.444 1.00 23.15 H new ATOM 0 HE ARG A 38 19.505 -12.419 4.033 1.00 44.20 H new ATOM 0 HH11 ARG A 38 22.794 -12.384 5.426 1.00 2.45 H new ATOM 0 HH12 ARG A 38 22.506 -13.800 6.442 1.00 2.45 H new ATOM 0 HH21 ARG A 38 19.152 -14.220 5.331 1.00 43.34 H new ATOM 0 HH22 ARG A 38 20.427 -14.843 6.384 1.00 43.34 H new ATOM 585 N LYS A 39 22.790 -7.577 6.225 1.00 1.25 N ATOM 586 CA LYS A 39 23.886 -6.725 5.796 1.00 23.04 C ATOM 587 C LYS A 39 24.285 -7.097 4.367 1.00 30.04 C ATOM 588 O LYS A 39 23.642 -7.935 3.736 1.00 3.20 O ATOM 589 CB LYS A 39 25.042 -6.794 6.796 1.00 65.41 C ATOM 590 CG LYS A 39 24.892 -5.726 7.881 1.00 52.45 C ATOM 591 CD LYS A 39 23.719 -6.048 8.808 1.00 54.13 C ATOM 592 CE LYS A 39 24.085 -7.164 9.789 1.00 12.24 C ATOM 593 NZ LYS A 39 22.964 -7.423 10.720 1.00 2.13 N1+ ATOM 0 H LYS A 39 23.057 -8.323 6.868 1.00 1.25 H new ATOM 0 HA LYS A 39 23.573 -5.681 5.779 1.00 23.04 H new ATOM 0 HB2 LYS A 39 25.072 -7.782 7.255 1.00 65.41 H new ATOM 0 HB3 LYS A 39 25.989 -6.656 6.273 1.00 65.41 H new ATOM 0 HG2 LYS A 39 25.812 -5.661 8.462 1.00 52.45 H new ATOM 0 HG3 LYS A 39 24.738 -4.751 7.418 1.00 52.45 H new ATOM 0 HD2 LYS A 39 23.431 -5.153 9.360 1.00 54.13 H new ATOM 0 HD3 LYS A 39 22.855 -6.349 8.216 1.00 54.13 H new ATOM 0 HE2 LYS A 39 24.327 -8.074 9.240 1.00 12.24 H new ATOM 0 HE3 LYS A 39 24.976 -6.884 10.352 1.00 12.24 H new ATOM 0 HZ1 LYS A 39 23.229 -8.183 11.379 1.00 2.13 H new ATOM 0 HZ2 LYS A 39 22.751 -6.558 11.257 1.00 2.13 H new ATOM 0 HZ3 LYS A 39 22.123 -7.711 10.180 1.00 2.13 H new ATOM 606 N THR A 40 25.344 -6.454 3.896 1.00 35.13 N ATOM 607 CA THR A 40 25.837 -6.706 2.553 1.00 75.44 C ATOM 608 C THR A 40 26.992 -7.711 2.589 1.00 43.11 C ATOM 609 O THR A 40 27.984 -7.496 3.283 1.00 72.31 O ATOM 610 CB THR A 40 26.219 -5.363 1.929 1.00 74.21 C ATOM 611 OG1 THR A 40 26.869 -4.661 2.986 1.00 42.25 O ATOM 612 CG2 THR A 40 24.998 -4.499 1.605 1.00 52.34 C ATOM 0 H THR A 40 25.874 -5.759 4.421 1.00 35.13 H new ATOM 0 HA THR A 40 25.069 -7.163 1.929 1.00 75.44 H new ATOM 0 HB THR A 40 26.793 -5.537 1.019 1.00 74.21 H new ATOM 0 HG1 THR A 40 27.632 -5.186 3.307 1.00 42.25 H new ATOM 0 HG21 THR A 40 25.325 -3.557 1.164 1.00 52.34 H new ATOM 0 HG22 THR A 40 24.356 -5.026 0.899 1.00 52.34 H new ATOM 0 HG23 THR A 40 24.442 -4.297 2.520 1.00 52.34 H new ATOM 620 N GLY A 41 26.824 -8.784 1.832 1.00 61.55 N ATOM 621 CA GLY A 41 27.839 -9.821 1.767 1.00 62.50 C ATOM 622 C GLY A 41 27.634 -10.858 2.874 1.00 21.13 C ATOM 623 O GLY A 41 28.477 -11.000 3.760 1.00 23.11 O ATOM 0 H GLY A 41 25.999 -8.958 1.258 1.00 61.55 H new ATOM 0 HA2 GLY A 41 27.802 -10.310 0.794 1.00 62.50 H new ATOM 0 HA3 GLY A 41 28.828 -9.373 1.862 1.00 62.50 H new ATOM 627 N GLN A 42 26.512 -11.556 2.786 1.00 20.11 N ATOM 628 CA GLN A 42 26.186 -12.576 3.769 1.00 50.44 C ATOM 629 C GLN A 42 25.944 -13.919 3.079 1.00 23.41 C ATOM 630 O GLN A 42 26.387 -14.958 3.563 1.00 22.22 O ATOM 631 CB GLN A 42 24.974 -12.163 4.606 1.00 22.15 C ATOM 632 CG GLN A 42 25.223 -10.827 5.311 1.00 43.33 C ATOM 633 CD GLN A 42 26.348 -10.953 6.340 1.00 74.22 C ATOM 634 OE1 GLN A 42 27.454 -10.288 6.016 1.00 53.24 O flip ATOM 635 NE2 GLN A 42 26.222 -11.609 7.360 1.00 55.35 N flip ATOM 0 H GLN A 42 25.817 -11.436 2.049 1.00 20.11 H new ATOM 0 HA GLN A 42 27.033 -12.685 4.446 1.00 50.44 H new ATOM 0 HB2 GLN A 42 24.096 -12.082 3.965 1.00 22.15 H new ATOM 0 HB3 GLN A 42 24.759 -12.934 5.346 1.00 22.15 H new ATOM 0 HG2 GLN A 42 25.482 -10.066 4.575 1.00 43.33 H new ATOM 0 HG3 GLN A 42 24.309 -10.496 5.804 1.00 43.33 H new ATOM 0 HE21 GLN A 42 25.346 -12.096 7.548 1.00 55.35 H new ATOM 0 HE22 GLN A 42 26.993 -11.671 8.025 1.00 55.35 H new ATOM 644 N ALA A 43 25.240 -13.855 1.958 1.00 70.23 N ATOM 645 CA ALA A 43 24.933 -15.054 1.197 1.00 30.12 C ATOM 646 C ALA A 43 26.151 -15.980 1.200 1.00 64.14 C ATOM 647 O ALA A 43 27.092 -15.776 0.435 1.00 13.20 O ATOM 648 CB ALA A 43 24.500 -14.663 -0.218 1.00 22.12 C ATOM 0 H ALA A 43 24.873 -12.991 1.559 1.00 70.23 H new ATOM 0 HA ALA A 43 24.105 -15.597 1.653 1.00 30.12 H new ATOM 0 HB1 ALA A 43 24.270 -15.562 -0.789 1.00 22.12 H new ATOM 0 HB2 ALA A 43 23.615 -14.029 -0.166 1.00 22.12 H new ATOM 0 HB3 ALA A 43 25.307 -14.119 -0.708 1.00 22.12 H new ATOM 654 N PRO A 44 26.091 -17.004 2.093 1.00 21.12 N ATOM 655 CA PRO A 44 27.178 -17.962 2.206 1.00 3.52 C ATOM 656 C PRO A 44 27.170 -18.941 1.029 1.00 70.11 C ATOM 657 O PRO A 44 28.156 -19.636 0.790 1.00 13.44 O ATOM 658 CB PRO A 44 26.964 -18.644 3.548 1.00 43.33 C ATOM 659 CG PRO A 44 25.516 -18.377 3.924 1.00 50.30 C ATOM 660 CD PRO A 44 24.993 -17.276 3.015 1.00 14.51 C ATOM 0 HA PRO A 44 28.160 -17.491 2.166 1.00 3.52 H new ATOM 0 HB2 PRO A 44 27.158 -19.714 3.478 1.00 43.33 H new ATOM 0 HB3 PRO A 44 27.643 -18.245 4.302 1.00 43.33 H new ATOM 0 HG2 PRO A 44 24.919 -19.282 3.810 1.00 50.30 H new ATOM 0 HG3 PRO A 44 25.442 -18.076 4.969 1.00 50.30 H new ATOM 0 HD2 PRO A 44 24.098 -17.595 2.481 1.00 14.51 H new ATOM 0 HD3 PRO A 44 24.725 -16.386 3.585 1.00 14.51 H new ATOM 668 N GLY A 45 26.047 -18.963 0.327 1.00 63.41 N ATOM 669 CA GLY A 45 25.898 -19.845 -0.818 1.00 62.30 C ATOM 670 C GLY A 45 26.605 -19.272 -2.047 1.00 51.31 C ATOM 671 O GLY A 45 27.366 -19.971 -2.712 1.00 1.41 O ATOM 0 H GLY A 45 25.232 -18.384 0.529 1.00 63.41 H new ATOM 0 HA2 GLY A 45 26.310 -20.826 -0.582 1.00 62.30 H new ATOM 0 HA3 GLY A 45 24.840 -19.988 -1.036 1.00 62.30 H new ATOM 675 N TYR A 46 26.326 -18.004 -2.312 1.00 31.42 N ATOM 676 CA TYR A 46 26.926 -17.328 -3.450 1.00 33.33 C ATOM 677 C TYR A 46 27.459 -15.951 -3.051 1.00 21.45 C ATOM 678 O TYR A 46 26.729 -14.961 -3.095 1.00 53.01 O ATOM 679 CB TYR A 46 25.803 -17.149 -4.474 1.00 11.41 C ATOM 680 CG TYR A 46 26.217 -16.367 -5.722 1.00 3.21 C ATOM 681 CD1 TYR A 46 27.375 -16.703 -6.394 1.00 70.24 C ATOM 682 CD2 TYR A 46 25.433 -15.326 -6.176 1.00 42.12 C ATOM 683 CE1 TYR A 46 27.766 -15.966 -7.568 1.00 41.12 C ATOM 684 CE2 TYR A 46 25.823 -14.590 -7.351 1.00 4.30 C ATOM 685 CZ TYR A 46 26.970 -14.947 -7.989 1.00 64.21 C ATOM 686 OH TYR A 46 27.338 -14.252 -9.098 1.00 73.20 O ATOM 0 H TYR A 46 25.693 -17.427 -1.758 1.00 31.42 H new ATOM 0 HA TYR A 46 27.762 -17.906 -3.843 1.00 33.33 H new ATOM 0 HB2 TYR A 46 25.442 -18.132 -4.777 1.00 11.41 H new ATOM 0 HB3 TYR A 46 24.968 -16.636 -3.996 1.00 11.41 H new ATOM 0 HD1 TYR A 46 27.988 -17.519 -6.039 1.00 70.24 H new ATOM 0 HD2 TYR A 46 24.527 -15.063 -5.650 1.00 42.12 H new ATOM 0 HE1 TYR A 46 28.671 -16.217 -8.102 1.00 41.12 H new ATOM 0 HE2 TYR A 46 25.219 -13.773 -7.717 1.00 4.30 H new ATOM 0 HH TYR A 46 26.675 -13.554 -9.282 1.00 73.20 H new ATOM 696 N SER A 47 28.728 -15.930 -2.671 1.00 61.13 N ATOM 697 CA SER A 47 29.368 -14.691 -2.264 1.00 50.02 C ATOM 698 C SER A 47 29.441 -13.726 -3.450 1.00 61.25 C ATOM 699 O SER A 47 29.630 -14.149 -4.588 1.00 74.42 O ATOM 700 CB SER A 47 30.769 -14.951 -1.705 1.00 64.01 C ATOM 701 OG SER A 47 31.597 -15.638 -2.639 1.00 62.20 O ATOM 0 H SER A 47 29.331 -16.752 -2.636 1.00 61.13 H new ATOM 0 HA SER A 47 28.769 -14.241 -1.473 1.00 50.02 H new ATOM 0 HB2 SER A 47 31.234 -14.002 -1.437 1.00 64.01 H new ATOM 0 HB3 SER A 47 30.691 -15.538 -0.790 1.00 64.01 H new ATOM 0 HG SER A 47 32.483 -15.784 -2.246 1.00 62.20 H new ATOM 707 N TYR A 48 29.286 -12.447 -3.141 1.00 23.43 N ATOM 708 CA TYR A 48 29.332 -11.418 -4.166 1.00 51.03 C ATOM 709 C TYR A 48 30.767 -10.941 -4.401 1.00 50.11 C ATOM 710 O TYR A 48 31.707 -11.486 -3.826 1.00 44.52 O ATOM 711 CB TYR A 48 28.500 -10.252 -3.632 1.00 20.35 C ATOM 712 CG TYR A 48 27.267 -10.681 -2.834 1.00 25.13 C ATOM 713 CD1 TYR A 48 26.681 -11.907 -3.075 1.00 3.33 C ATOM 714 CD2 TYR A 48 26.740 -9.842 -1.873 1.00 40.21 C ATOM 715 CE1 TYR A 48 25.521 -12.311 -2.325 1.00 31.53 C ATOM 716 CE2 TYR A 48 25.580 -10.246 -1.122 1.00 74.50 C ATOM 717 CZ TYR A 48 25.027 -11.460 -1.385 1.00 31.14 C ATOM 718 OH TYR A 48 23.931 -11.841 -0.677 1.00 23.04 O ATOM 0 H TYR A 48 29.128 -12.100 -2.195 1.00 23.43 H new ATOM 0 HA TYR A 48 28.952 -11.803 -5.112 1.00 51.03 H new ATOM 0 HB2 TYR A 48 29.131 -9.629 -2.999 1.00 20.35 H new ATOM 0 HB3 TYR A 48 28.180 -9.633 -4.470 1.00 20.35 H new ATOM 0 HD1 TYR A 48 27.093 -12.564 -3.827 1.00 3.33 H new ATOM 0 HD2 TYR A 48 27.198 -8.882 -1.684 1.00 40.21 H new ATOM 0 HE1 TYR A 48 25.053 -13.268 -2.504 1.00 31.53 H new ATOM 0 HE2 TYR A 48 25.159 -9.599 -0.367 1.00 74.50 H new ATOM 0 HH TYR A 48 23.691 -11.135 -0.041 1.00 23.04 H new ATOM 728 N THR A 49 30.889 -9.928 -5.246 1.00 5.20 N ATOM 729 CA THR A 49 32.193 -9.371 -5.564 1.00 43.03 C ATOM 730 C THR A 49 32.912 -8.936 -4.286 1.00 11.41 C ATOM 731 O THR A 49 32.346 -9.006 -3.196 1.00 40.24 O ATOM 732 CB THR A 49 31.990 -8.233 -6.566 1.00 0.23 C ATOM 733 OG1 THR A 49 31.085 -7.351 -5.909 1.00 65.43 O ATOM 734 CG2 THR A 49 31.232 -8.682 -7.816 1.00 63.33 C ATOM 0 H THR A 49 30.106 -9.478 -5.720 1.00 5.20 H new ATOM 0 HA THR A 49 32.840 -10.117 -6.026 1.00 43.03 H new ATOM 0 HB THR A 49 32.959 -7.827 -6.856 1.00 0.23 H new ATOM 0 HG1 THR A 49 30.251 -7.296 -6.421 1.00 65.43 H new ATOM 0 HG21 THR A 49 31.115 -7.837 -8.494 1.00 63.33 H new ATOM 0 HG22 THR A 49 31.791 -9.473 -8.316 1.00 63.33 H new ATOM 0 HG23 THR A 49 30.249 -9.057 -7.530 1.00 63.33 H new ATOM 742 N ALA A 50 34.149 -8.495 -4.461 1.00 63.11 N ATOM 743 CA ALA A 50 34.951 -8.047 -3.336 1.00 4.40 C ATOM 744 C ALA A 50 34.632 -6.580 -3.039 1.00 24.52 C ATOM 745 O ALA A 50 34.966 -6.073 -1.969 1.00 65.45 O ATOM 746 CB ALA A 50 36.433 -8.270 -3.644 1.00 22.44 C ATOM 0 H ALA A 50 34.616 -8.438 -5.366 1.00 63.11 H new ATOM 0 HA ALA A 50 34.713 -8.624 -2.442 1.00 4.40 H new ATOM 0 HB1 ALA A 50 37.035 -7.934 -2.800 1.00 22.44 H new ATOM 0 HB2 ALA A 50 36.613 -9.331 -3.818 1.00 22.44 H new ATOM 0 HB3 ALA A 50 36.709 -7.704 -4.534 1.00 22.44 H new ATOM 752 N ALA A 51 33.990 -5.940 -4.005 1.00 22.13 N ATOM 753 CA ALA A 51 33.621 -4.542 -3.860 1.00 24.51 C ATOM 754 C ALA A 51 32.332 -4.441 -3.043 1.00 32.14 C ATOM 755 O ALA A 51 32.096 -3.438 -2.371 1.00 53.32 O ATOM 756 CB ALA A 51 33.488 -3.903 -5.245 1.00 73.13 C ATOM 0 H ALA A 51 33.716 -6.364 -4.891 1.00 22.13 H new ATOM 0 HA ALA A 51 34.394 -3.994 -3.322 1.00 24.51 H new ATOM 0 HB1 ALA A 51 33.211 -2.854 -5.137 1.00 73.13 H new ATOM 0 HB2 ALA A 51 34.440 -3.975 -5.772 1.00 73.13 H new ATOM 0 HB3 ALA A 51 32.718 -4.425 -5.814 1.00 73.13 H new ATOM 762 N ASN A 52 31.531 -5.493 -3.129 1.00 72.12 N ATOM 763 CA ASN A 52 30.271 -5.534 -2.406 1.00 72.03 C ATOM 764 C ASN A 52 30.510 -6.100 -1.005 1.00 44.33 C ATOM 765 O ASN A 52 30.129 -5.486 -0.010 1.00 21.23 O ATOM 766 CB ASN A 52 29.260 -6.438 -3.114 1.00 71.24 C ATOM 767 CG ASN A 52 27.826 -6.049 -2.747 1.00 1.21 C ATOM 768 OD1 ASN A 52 27.154 -5.315 -3.452 1.00 10.34 O ATOM 769 ND2 ASN A 52 27.397 -6.583 -1.607 1.00 51.41 N ATOM 0 H ASN A 52 31.730 -6.323 -3.688 1.00 72.12 H new ATOM 0 HA ASN A 52 29.877 -4.519 -2.358 1.00 72.03 H new ATOM 0 HB2 ASN A 52 29.395 -6.366 -4.193 1.00 71.24 H new ATOM 0 HB3 ASN A 52 29.441 -7.477 -2.839 1.00 71.24 H new ATOM 0 HD21 ASN A 52 26.453 -6.386 -1.275 1.00 51.41 H new ATOM 0 HD22 ASN A 52 28.012 -7.190 -1.065 1.00 51.41 H new ATOM 776 N LYS A 53 31.142 -7.264 -0.972 1.00 31.33 N ATOM 777 CA LYS A 53 31.437 -7.920 0.291 1.00 23.25 C ATOM 778 C LYS A 53 31.918 -6.877 1.302 1.00 40.10 C ATOM 779 O LYS A 53 31.699 -7.024 2.503 1.00 44.44 O ATOM 780 CB LYS A 53 32.421 -9.072 0.079 1.00 41.40 C ATOM 781 CG LYS A 53 32.198 -10.180 1.112 1.00 75.03 C ATOM 782 CD LYS A 53 33.501 -10.926 1.403 1.00 74.12 C ATOM 783 CE LYS A 53 33.229 -12.226 2.166 1.00 55.52 C ATOM 784 NZ LYS A 53 32.417 -11.957 3.374 1.00 13.54 N1+ ATOM 0 H LYS A 53 31.458 -7.770 -1.799 1.00 31.33 H new ATOM 0 HA LYS A 53 30.536 -8.373 0.705 1.00 23.25 H new ATOM 0 HB2 LYS A 53 32.301 -9.477 -0.926 1.00 41.40 H new ATOM 0 HB3 LYS A 53 33.443 -8.701 0.153 1.00 41.40 H new ATOM 0 HG2 LYS A 53 31.807 -9.750 2.034 1.00 75.03 H new ATOM 0 HG3 LYS A 53 31.448 -10.880 0.744 1.00 75.03 H new ATOM 0 HD2 LYS A 53 34.013 -11.149 0.467 1.00 74.12 H new ATOM 0 HD3 LYS A 53 34.166 -10.290 1.987 1.00 74.12 H new ATOM 0 HE2 LYS A 53 32.707 -12.932 1.520 1.00 55.52 H new ATOM 0 HE3 LYS A 53 34.172 -12.692 2.451 1.00 55.52 H new ATOM 0 HZ1 LYS A 53 32.439 -12.788 3.999 1.00 13.54 H new ATOM 0 HZ2 LYS A 53 32.806 -11.134 3.877 1.00 13.54 H new ATOM 0 HZ3 LYS A 53 31.435 -11.760 3.095 1.00 13.54 H new ATOM 797 N ASN A 54 32.566 -5.847 0.777 1.00 32.11 N ATOM 798 CA ASN A 54 33.081 -4.780 1.619 1.00 62.53 C ATOM 799 C ASN A 54 31.911 -4.046 2.277 1.00 21.52 C ATOM 800 O ASN A 54 31.888 -3.875 3.496 1.00 54.24 O ATOM 801 CB ASN A 54 33.873 -3.763 0.795 1.00 4.13 C ATOM 802 CG ASN A 54 35.318 -4.226 0.596 1.00 23.22 C ATOM 803 OD1 ASN A 54 35.449 -5.540 0.438 1.00 64.31 O flip ATOM 804 ND2 ASN A 54 36.253 -3.442 0.586 1.00 31.23 N flip ATOM 0 H ASN A 54 32.746 -5.729 -0.220 1.00 32.11 H new ATOM 0 HA ASN A 54 33.735 -5.227 2.368 1.00 62.53 H new ATOM 0 HB2 ASN A 54 33.395 -3.624 -0.175 1.00 4.13 H new ATOM 0 HB3 ASN A 54 33.863 -2.796 1.297 1.00 4.13 H new ATOM 0 HD21 ASN A 54 36.083 -2.444 0.713 1.00 31.23 H new ATOM 0 HD22 ASN A 54 37.204 -3.784 0.450 1.00 31.23 H new ATOM 811 N LYS A 55 30.968 -3.633 1.443 1.00 3.10 N ATOM 812 CA LYS A 55 29.799 -2.921 1.929 1.00 52.01 C ATOM 813 C LYS A 55 29.320 -3.566 3.232 1.00 71.13 C ATOM 814 O LYS A 55 29.332 -4.789 3.364 1.00 34.34 O ATOM 815 CB LYS A 55 28.723 -2.856 0.843 1.00 61.43 C ATOM 816 CG LYS A 55 27.844 -1.615 1.017 1.00 35.11 C ATOM 817 CD LYS A 55 28.577 -0.355 0.552 1.00 31.33 C ATOM 818 CE LYS A 55 27.641 0.856 0.553 1.00 31.13 C ATOM 819 NZ LYS A 55 28.421 2.113 0.599 1.00 40.52 N1+ ATOM 0 H LYS A 55 30.990 -3.778 0.434 1.00 3.10 H new ATOM 0 HA LYS A 55 30.051 -1.886 2.159 1.00 52.01 H new ATOM 0 HB2 LYS A 55 29.194 -2.838 -0.140 1.00 61.43 H new ATOM 0 HB3 LYS A 55 28.105 -3.753 0.884 1.00 61.43 H new ATOM 0 HG2 LYS A 55 26.922 -1.735 0.448 1.00 35.11 H new ATOM 0 HG3 LYS A 55 27.560 -1.510 2.064 1.00 35.11 H new ATOM 0 HD2 LYS A 55 29.427 -0.162 1.206 1.00 31.33 H new ATOM 0 HD3 LYS A 55 28.975 -0.511 -0.451 1.00 31.33 H new ATOM 0 HE2 LYS A 55 27.016 0.841 -0.340 1.00 31.13 H new ATOM 0 HE3 LYS A 55 26.971 0.805 1.411 1.00 31.13 H new ATOM 0 HZ1 LYS A 55 27.771 2.925 0.599 1.00 40.52 H new ATOM 0 HZ2 LYS A 55 28.999 2.132 1.464 1.00 40.52 H new ATOM 0 HZ3 LYS A 55 29.042 2.167 -0.233 1.00 40.52 H new ATOM 832 N GLY A 56 28.909 -2.714 4.160 1.00 14.34 N ATOM 833 CA GLY A 56 28.427 -3.185 5.447 1.00 1.53 C ATOM 834 C GLY A 56 27.254 -2.334 5.939 1.00 71.44 C ATOM 835 O GLY A 56 27.369 -1.634 6.944 1.00 74.10 O ATOM 0 H GLY A 56 28.900 -1.700 4.046 1.00 14.34 H new ATOM 0 HA2 GLY A 56 28.116 -4.226 5.364 1.00 1.53 H new ATOM 0 HA3 GLY A 56 29.236 -3.152 6.177 1.00 1.53 H new ATOM 839 N ILE A 57 26.153 -2.422 5.207 1.00 74.01 N ATOM 840 CA ILE A 57 24.961 -1.668 5.556 1.00 43.32 C ATOM 841 C ILE A 57 23.742 -2.590 5.484 1.00 62.24 C ATOM 842 O ILE A 57 23.809 -3.671 4.903 1.00 3.42 O ATOM 843 CB ILE A 57 24.841 -0.420 4.680 1.00 40.53 C ATOM 844 CG1 ILE A 57 24.874 -0.787 3.195 1.00 32.54 C ATOM 845 CG2 ILE A 57 25.915 0.608 5.041 1.00 3.00 C ATOM 846 CD1 ILE A 57 23.465 -1.053 2.665 1.00 32.33 C ATOM 0 H ILE A 57 26.061 -3.004 4.374 1.00 74.01 H new ATOM 0 HA ILE A 57 25.026 -1.304 6.581 1.00 43.32 H new ATOM 0 HB ILE A 57 23.874 0.043 4.875 1.00 40.53 H new ATOM 0 HG12 ILE A 57 25.333 0.022 2.627 1.00 32.54 H new ATOM 0 HG13 ILE A 57 25.494 -1.671 3.049 1.00 32.54 H new ATOM 0 HG21 ILE A 57 25.807 1.486 4.404 1.00 3.00 H new ATOM 0 HG22 ILE A 57 25.802 0.901 6.085 1.00 3.00 H new ATOM 0 HG23 ILE A 57 26.902 0.170 4.892 1.00 3.00 H new ATOM 0 HD11 ILE A 57 23.517 -1.312 1.607 1.00 32.33 H new ATOM 0 HD12 ILE A 57 23.018 -1.878 3.219 1.00 32.33 H new ATOM 0 HD13 ILE A 57 22.854 -0.159 2.790 1.00 32.33 H new ATOM 858 N ILE A 58 22.654 -2.127 6.085 1.00 34.44 N ATOM 859 CA ILE A 58 21.422 -2.896 6.096 1.00 71.13 C ATOM 860 C ILE A 58 20.555 -2.481 4.905 1.00 61.15 C ATOM 861 O ILE A 58 20.456 -1.297 4.588 1.00 1.32 O ATOM 862 CB ILE A 58 20.716 -2.758 7.446 1.00 10.41 C ATOM 863 CG1 ILE A 58 21.414 -3.599 8.517 1.00 53.34 C ATOM 864 CG2 ILE A 58 19.230 -3.099 7.326 1.00 13.54 C ATOM 865 CD1 ILE A 58 20.866 -5.027 8.536 1.00 42.52 C ATOM 0 H ILE A 58 22.601 -1.230 6.567 1.00 34.44 H new ATOM 0 HA ILE A 58 21.636 -3.958 5.981 1.00 71.13 H new ATOM 0 HB ILE A 58 20.781 -1.717 7.761 1.00 10.41 H new ATOM 0 HG12 ILE A 58 22.487 -3.620 8.326 1.00 53.34 H new ATOM 0 HG13 ILE A 58 21.273 -3.139 9.495 1.00 53.34 H new ATOM 0 HG21 ILE A 58 18.752 -2.993 8.300 1.00 13.54 H new ATOM 0 HG22 ILE A 58 18.758 -2.422 6.614 1.00 13.54 H new ATOM 0 HG23 ILE A 58 19.119 -4.126 6.978 1.00 13.54 H new ATOM 0 HD11 ILE A 58 21.379 -5.603 9.306 1.00 42.52 H new ATOM 0 HD12 ILE A 58 19.798 -5.004 8.751 1.00 42.52 H new ATOM 0 HD13 ILE A 58 21.030 -5.493 7.564 1.00 42.52 H new ATOM 877 N TRP A 59 19.951 -3.478 4.277 1.00 12.43 N ATOM 878 CA TRP A 59 19.096 -3.232 3.128 1.00 31.13 C ATOM 879 C TRP A 59 17.721 -2.804 3.644 1.00 62.44 C ATOM 880 O TRP A 59 16.915 -3.643 4.043 1.00 4.32 O ATOM 881 CB TRP A 59 19.037 -4.459 2.216 1.00 3.14 C ATOM 882 CG TRP A 59 20.284 -4.651 1.349 1.00 60.14 C ATOM 883 CD1 TRP A 59 21.069 -5.733 1.262 1.00 33.12 C ATOM 884 CD2 TRP A 59 20.861 -3.684 0.446 1.00 22.32 C ATOM 885 NE1 TRP A 59 22.105 -5.536 0.372 1.00 43.14 N ATOM 886 CE2 TRP A 59 21.974 -4.250 -0.140 1.00 22.33 C ATOM 887 CE3 TRP A 59 20.454 -2.375 0.135 1.00 1.23 C ATOM 888 CZ2 TRP A 59 22.774 -3.580 -1.074 1.00 75.24 C ATOM 889 CZ3 TRP A 59 21.264 -1.719 -0.799 1.00 14.52 C ATOM 890 CH2 TRP A 59 22.388 -2.274 -1.399 1.00 62.15 C ATOM 0 H TRP A 59 20.037 -4.459 4.542 1.00 12.43 H new ATOM 0 HA TRP A 59 19.501 -2.430 2.511 1.00 31.13 H new ATOM 0 HB2 TRP A 59 18.893 -5.348 2.830 1.00 3.14 H new ATOM 0 HB3 TRP A 59 18.165 -4.375 1.567 1.00 3.14 H new ATOM 0 HD1 TRP A 59 20.911 -6.645 1.819 1.00 33.12 H new ATOM 0 HE1 TRP A 59 22.833 -6.210 0.134 1.00 43.14 H new ATOM 0 HE3 TRP A 59 19.586 -1.913 0.581 1.00 1.23 H new ATOM 0 HZ2 TRP A 59 23.641 -4.045 -1.519 1.00 75.24 H new ATOM 0 HZ3 TRP A 59 20.996 -0.709 -1.073 1.00 14.52 H new ATOM 0 HH2 TRP A 59 22.961 -1.701 -2.113 1.00 62.15 H new ATOM 901 N GLY A 60 17.496 -1.499 3.621 1.00 60.12 N ATOM 902 CA GLY A 60 16.232 -0.949 4.081 1.00 61.54 C ATOM 903 C GLY A 60 15.469 -0.291 2.931 1.00 2.44 C ATOM 904 O GLY A 60 15.819 -0.470 1.765 1.00 64.10 O ATOM 0 H GLY A 60 18.168 -0.806 3.291 1.00 60.12 H new ATOM 0 HA2 GLY A 60 15.625 -1.741 4.519 1.00 61.54 H new ATOM 0 HA3 GLY A 60 16.415 -0.216 4.867 1.00 61.54 H new ATOM 908 N GLU A 61 14.440 0.459 3.298 1.00 1.02 N ATOM 909 CA GLU A 61 13.625 1.146 2.311 1.00 43.51 C ATOM 910 C GLU A 61 14.364 2.372 1.770 1.00 54.24 C ATOM 911 O GLU A 61 14.504 2.532 0.559 1.00 64.13 O ATOM 912 CB GLU A 61 12.267 1.539 2.898 1.00 4.31 C ATOM 913 CG GLU A 61 11.300 0.354 2.883 1.00 42.02 C ATOM 914 CD GLU A 61 9.851 0.832 2.759 1.00 40.13 C ATOM 915 OE1 GLU A 61 8.962 0.298 3.439 1.00 42.11 O ATOM 916 OE2 GLU A 61 9.664 1.795 1.922 1.00 53.22 O1- ATOM 0 H GLU A 61 14.152 0.606 4.265 1.00 1.02 H new ATOM 0 HA GLU A 61 13.442 0.462 1.482 1.00 43.51 H new ATOM 0 HB2 GLU A 61 12.398 1.894 3.920 1.00 4.31 H new ATOM 0 HB3 GLU A 61 11.845 2.365 2.326 1.00 4.31 H new ATOM 0 HG2 GLU A 61 11.541 -0.307 2.051 1.00 42.02 H new ATOM 0 HG3 GLU A 61 11.418 -0.228 3.797 1.00 42.02 H new ATOM 924 N ASP A 62 14.818 3.205 2.695 1.00 41.03 N ATOM 925 CA ASP A 62 15.539 4.411 2.327 1.00 11.04 C ATOM 926 C ASP A 62 16.709 4.041 1.413 1.00 64.11 C ATOM 927 O ASP A 62 16.892 4.645 0.358 1.00 4.51 O ATOM 928 CB ASP A 62 16.107 5.111 3.563 1.00 52.14 C ATOM 929 CG ASP A 62 16.448 6.590 3.369 1.00 62.42 C ATOM 930 OD1 ASP A 62 17.426 6.936 2.689 1.00 35.04 O ATOM 931 OD2 ASP A 62 15.650 7.416 3.956 1.00 62.51 O1- ATOM 0 H ASP A 62 14.700 3.068 3.699 1.00 41.03 H new ATOM 0 HA ASP A 62 14.843 5.080 1.822 1.00 11.04 H new ATOM 0 HB2 ASP A 62 15.385 5.024 4.375 1.00 52.14 H new ATOM 0 HB3 ASP A 62 17.008 4.584 3.879 1.00 52.14 H new ATOM 937 N THR A 63 17.471 3.050 1.854 1.00 73.22 N ATOM 938 CA THR A 63 18.620 2.593 1.088 1.00 3.24 C ATOM 939 C THR A 63 18.189 2.172 -0.319 1.00 11.02 C ATOM 940 O THR A 63 18.573 2.801 -1.303 1.00 1.20 O ATOM 941 CB THR A 63 19.297 1.472 1.877 1.00 40.22 C ATOM 942 OG1 THR A 63 18.304 0.453 1.956 1.00 4.21 O ATOM 943 CG2 THR A 63 19.552 1.855 3.337 1.00 44.33 C ATOM 0 H THR A 63 17.316 2.551 2.730 1.00 73.22 H new ATOM 0 HA THR A 63 19.345 3.394 0.946 1.00 3.24 H new ATOM 0 HB THR A 63 20.241 1.212 1.399 1.00 40.22 H new ATOM 0 HG1 THR A 63 18.639 -0.364 1.530 1.00 4.21 H new ATOM 0 HG21 THR A 63 20.034 1.024 3.852 1.00 44.33 H new ATOM 0 HG22 THR A 63 20.200 2.731 3.376 1.00 44.33 H new ATOM 0 HG23 THR A 63 18.604 2.083 3.824 1.00 44.33 H new ATOM 951 N LEU A 64 17.397 1.110 -0.367 1.00 10.45 N ATOM 952 CA LEU A 64 16.911 0.598 -1.636 1.00 43.40 C ATOM 953 C LEU A 64 16.454 1.767 -2.512 1.00 72.41 C ATOM 954 O LEU A 64 16.729 1.793 -3.710 1.00 42.34 O ATOM 955 CB LEU A 64 15.828 -0.460 -1.409 1.00 75.52 C ATOM 956 CG LEU A 64 16.296 -1.773 -0.778 1.00 12.32 C ATOM 957 CD1 LEU A 64 15.116 -2.553 -0.197 1.00 31.02 C ATOM 958 CD2 LEU A 64 17.097 -2.607 -1.779 1.00 20.25 C ATOM 0 H LEU A 64 17.081 0.591 0.452 1.00 10.45 H new ATOM 0 HA LEU A 64 17.712 0.090 -2.173 1.00 43.40 H new ATOM 0 HB2 LEU A 64 15.055 -0.029 -0.773 1.00 75.52 H new ATOM 0 HB3 LEU A 64 15.362 -0.686 -2.368 1.00 75.52 H new ATOM 0 HG LEU A 64 16.964 -1.535 0.050 1.00 12.32 H new ATOM 0 HD11 LEU A 64 15.476 -3.482 0.245 1.00 31.02 H new ATOM 0 HD12 LEU A 64 14.625 -1.953 0.569 1.00 31.02 H new ATOM 0 HD13 LEU A 64 14.404 -2.781 -0.991 1.00 31.02 H new ATOM 0 HD21 LEU A 64 17.418 -3.535 -1.305 1.00 20.25 H new ATOM 0 HD22 LEU A 64 16.473 -2.837 -2.642 1.00 20.25 H new ATOM 0 HD23 LEU A 64 17.972 -2.044 -2.104 1.00 20.25 H new ATOM 970 N MET A 65 15.764 2.704 -1.880 1.00 14.04 N ATOM 971 CA MET A 65 15.265 3.872 -2.585 1.00 64.51 C ATOM 972 C MET A 65 16.368 4.513 -3.431 1.00 44.11 C ATOM 973 O MET A 65 16.217 4.669 -4.641 1.00 35.15 O ATOM 974 CB MET A 65 14.738 4.892 -1.576 1.00 75.32 C ATOM 975 CG MET A 65 13.642 5.763 -2.197 1.00 12.54 C ATOM 976 SD MET A 65 12.050 4.984 -1.986 1.00 72.52 S ATOM 977 CE MET A 65 11.672 4.585 -3.685 1.00 71.41 C ATOM 0 H MET A 65 15.538 2.678 -0.886 1.00 14.04 H new ATOM 0 HA MET A 65 14.460 3.556 -3.249 1.00 64.51 H new ATOM 0 HB2 MET A 65 14.344 4.374 -0.702 1.00 75.32 H new ATOM 0 HB3 MET A 65 15.557 5.523 -1.230 1.00 75.32 H new ATOM 0 HG2 MET A 65 13.639 6.747 -1.729 1.00 12.54 H new ATOM 0 HG3 MET A 65 13.844 5.915 -3.257 1.00 12.54 H new ATOM 0 HE1 MET A 65 10.600 4.687 -3.853 1.00 71.41 H new ATOM 0 HE2 MET A 65 12.209 5.265 -4.347 1.00 71.41 H new ATOM 0 HE3 MET A 65 11.976 3.559 -3.894 1.00 71.41 H new ATOM 987 N GLU A 66 17.454 4.868 -2.759 1.00 20.23 N ATOM 988 CA GLU A 66 18.581 5.488 -3.433 1.00 4.35 C ATOM 989 C GLU A 66 19.296 4.469 -4.321 1.00 12.41 C ATOM 990 O GLU A 66 19.416 4.668 -5.529 1.00 31.41 O ATOM 991 CB GLU A 66 19.550 6.109 -2.423 1.00 2.12 C ATOM 992 CG GLU A 66 20.741 6.755 -3.132 1.00 74.21 C ATOM 993 CD GLU A 66 21.446 7.759 -2.217 1.00 11.01 C ATOM 994 OE1 GLU A 66 22.583 7.514 -1.788 1.00 62.03 O ATOM 995 OE2 GLU A 66 20.769 8.825 -1.954 1.00 61.41 O1- ATOM 0 H GLU A 66 17.577 4.738 -1.755 1.00 20.23 H new ATOM 0 HA GLU A 66 18.203 6.290 -4.066 1.00 4.35 H new ATOM 0 HB2 GLU A 66 19.028 6.857 -1.826 1.00 2.12 H new ATOM 0 HB3 GLU A 66 19.904 5.342 -1.735 1.00 2.12 H new ATOM 0 HG2 GLU A 66 21.446 5.984 -3.443 1.00 74.21 H new ATOM 0 HG3 GLU A 66 20.401 7.259 -4.037 1.00 74.21 H new ATOM 1003 N TYR A 67 19.751 3.396 -3.690 1.00 2.54 N ATOM 1004 CA TYR A 67 20.449 2.345 -4.409 1.00 70.14 C ATOM 1005 C TYR A 67 19.749 2.026 -5.731 1.00 15.44 C ATOM 1006 O TYR A 67 20.399 1.655 -6.708 1.00 20.34 O ATOM 1007 CB TYR A 67 20.397 1.110 -3.507 1.00 71.01 C ATOM 1008 CG TYR A 67 20.894 -0.172 -4.176 1.00 33.43 C ATOM 1009 CD1 TYR A 67 22.234 -0.322 -4.471 1.00 25.24 C ATOM 1010 CD2 TYR A 67 20.002 -1.179 -4.486 1.00 73.53 C ATOM 1011 CE1 TYR A 67 22.701 -1.529 -5.103 1.00 12.44 C ATOM 1012 CE2 TYR A 67 20.470 -2.386 -5.117 1.00 50.13 C ATOM 1013 CZ TYR A 67 21.797 -2.501 -5.394 1.00 70.00 C ATOM 1014 OH TYR A 67 22.239 -3.641 -5.989 1.00 1.15 O ATOM 0 H TYR A 67 19.649 3.232 -2.688 1.00 2.54 H new ATOM 0 HA TYR A 67 21.469 2.651 -4.640 1.00 70.14 H new ATOM 0 HB2 TYR A 67 20.996 1.298 -2.616 1.00 71.01 H new ATOM 0 HB3 TYR A 67 19.370 0.959 -3.174 1.00 71.01 H new ATOM 0 HD1 TYR A 67 22.932 0.465 -4.228 1.00 25.24 H new ATOM 0 HD2 TYR A 67 18.953 -1.062 -4.255 1.00 73.53 H new ATOM 0 HE1 TYR A 67 23.747 -1.659 -5.340 1.00 12.44 H new ATOM 0 HE2 TYR A 67 19.783 -3.182 -5.365 1.00 50.13 H new ATOM 0 HH TYR A 67 22.634 -4.231 -5.313 1.00 1.15 H new ATOM 1024 N LEU A 68 18.434 2.181 -5.720 1.00 3.24 N ATOM 1025 CA LEU A 68 17.639 1.914 -6.906 1.00 35.25 C ATOM 1026 C LEU A 68 17.906 3.001 -7.949 1.00 53.11 C ATOM 1027 O LEU A 68 18.194 2.700 -9.106 1.00 15.43 O ATOM 1028 CB LEU A 68 16.161 1.764 -6.538 1.00 63.11 C ATOM 1029 CG LEU A 68 15.763 0.436 -5.891 1.00 65.23 C ATOM 1030 CD1 LEU A 68 14.570 0.620 -4.951 1.00 12.31 C ATOM 1031 CD2 LEU A 68 15.495 -0.632 -6.953 1.00 71.44 C ATOM 0 H LEU A 68 17.899 2.488 -4.908 1.00 3.24 H new ATOM 0 HA LEU A 68 17.930 0.964 -7.354 1.00 35.25 H new ATOM 0 HB2 LEU A 68 15.893 2.572 -5.857 1.00 63.11 H new ATOM 0 HB3 LEU A 68 15.567 1.898 -7.442 1.00 63.11 H new ATOM 0 HG LEU A 68 16.600 0.087 -5.286 1.00 65.23 H new ATOM 0 HD11 LEU A 68 14.307 -0.339 -4.504 1.00 12.31 H new ATOM 0 HD12 LEU A 68 14.832 1.327 -4.164 1.00 12.31 H new ATOM 0 HD13 LEU A 68 13.719 1.003 -5.514 1.00 12.31 H new ATOM 0 HD21 LEU A 68 15.214 -1.566 -6.467 1.00 71.44 H new ATOM 0 HD22 LEU A 68 14.684 -0.303 -7.603 1.00 71.44 H new ATOM 0 HD23 LEU A 68 16.396 -0.789 -7.547 1.00 71.44 H new ATOM 1043 N GLU A 69 17.798 4.244 -7.502 1.00 15.25 N ATOM 1044 CA GLU A 69 18.025 5.378 -8.382 1.00 72.12 C ATOM 1045 C GLU A 69 19.362 5.228 -9.109 1.00 22.31 C ATOM 1046 O GLU A 69 19.508 5.672 -10.246 1.00 70.33 O ATOM 1047 CB GLU A 69 17.968 6.695 -7.606 1.00 51.12 C ATOM 1048 CG GLU A 69 18.516 7.851 -8.444 1.00 33.34 C ATOM 1049 CD GLU A 69 18.032 9.198 -7.905 1.00 54.43 C ATOM 1050 OE1 GLU A 69 18.831 9.968 -7.351 1.00 2.44 O ATOM 1051 OE2 GLU A 69 16.776 9.435 -8.079 1.00 3.24 O1- ATOM 0 H GLU A 69 17.556 4.491 -6.542 1.00 15.25 H new ATOM 0 HA GLU A 69 17.229 5.398 -9.127 1.00 72.12 H new ATOM 0 HB2 GLU A 69 16.938 6.907 -7.318 1.00 51.12 H new ATOM 0 HB3 GLU A 69 18.544 6.604 -6.685 1.00 51.12 H new ATOM 0 HG2 GLU A 69 19.606 7.824 -8.439 1.00 33.34 H new ATOM 0 HG3 GLU A 69 18.199 7.735 -9.481 1.00 33.34 H new ATOM 1059 N ASN A 70 20.305 4.600 -8.422 1.00 1.34 N ATOM 1060 CA ASN A 70 21.627 4.385 -8.987 1.00 62.35 C ATOM 1061 C ASN A 70 22.396 3.393 -8.113 1.00 55.43 C ATOM 1062 O ASN A 70 23.109 3.793 -7.195 1.00 45.53 O ATOM 1063 CB ASN A 70 22.424 5.691 -9.035 1.00 44.13 C ATOM 1064 CG ASN A 70 22.160 6.447 -10.339 1.00 34.34 C ATOM 1065 OD1 ASN A 70 21.970 5.867 -11.396 1.00 35.54 O ATOM 1066 ND2 ASN A 70 22.159 7.769 -10.206 1.00 0.54 N ATOM 0 H ASN A 70 20.180 4.233 -7.479 1.00 1.34 H new ATOM 0 HA ASN A 70 21.503 4.001 -9.999 1.00 62.35 H new ATOM 0 HB2 ASN A 70 22.153 6.318 -8.186 1.00 44.13 H new ATOM 0 HB3 ASN A 70 23.489 5.475 -8.945 1.00 44.13 H new ATOM 0 HD21 ASN A 70 21.992 8.363 -11.018 1.00 0.54 H new ATOM 0 HD22 ASN A 70 22.325 8.190 -9.292 1.00 0.54 H new ATOM 1073 N PRO A 71 22.221 2.085 -8.439 1.00 54.04 N ATOM 1074 CA PRO A 71 22.891 1.031 -7.693 1.00 32.44 C ATOM 1075 C PRO A 71 24.375 0.960 -8.059 1.00 41.31 C ATOM 1076 O PRO A 71 25.221 0.745 -7.193 1.00 74.34 O ATOM 1077 CB PRO A 71 22.131 -0.239 -8.039 1.00 13.22 C ATOM 1078 CG PRO A 71 21.365 0.068 -9.315 1.00 74.42 C ATOM 1079 CD PRO A 71 21.385 1.574 -9.521 1.00 62.30 C ATOM 0 HA PRO A 71 22.881 1.204 -6.617 1.00 32.44 H new ATOM 0 HB2 PRO A 71 22.814 -1.075 -8.185 1.00 13.22 H new ATOM 0 HB3 PRO A 71 21.452 -0.519 -7.234 1.00 13.22 H new ATOM 0 HG2 PRO A 71 21.821 -0.439 -10.165 1.00 74.42 H new ATOM 0 HG3 PRO A 71 20.339 -0.293 -9.241 1.00 74.42 H new ATOM 0 HD2 PRO A 71 21.796 1.835 -10.496 1.00 62.30 H new ATOM 0 HD3 PRO A 71 20.380 1.993 -9.477 1.00 62.30 H new ATOM 1087 N LYS A 72 24.644 1.144 -9.343 1.00 40.44 N ATOM 1088 CA LYS A 72 26.012 1.103 -9.834 1.00 22.32 C ATOM 1089 C LYS A 72 26.885 2.018 -8.974 1.00 63.53 C ATOM 1090 O LYS A 72 27.939 1.604 -8.493 1.00 45.42 O ATOM 1091 CB LYS A 72 26.055 1.436 -11.327 1.00 54.30 C ATOM 1092 CG LYS A 72 27.209 0.707 -12.018 1.00 41.01 C ATOM 1093 CD LYS A 72 27.787 1.550 -13.156 1.00 72.43 C ATOM 1094 CE LYS A 72 28.588 2.735 -12.609 1.00 51.53 C ATOM 1095 NZ LYS A 72 27.762 3.962 -12.609 1.00 51.14 N1+ ATOM 0 H LYS A 72 23.939 1.322 -10.058 1.00 40.44 H new ATOM 0 HA LYS A 72 26.420 0.096 -9.744 1.00 22.32 H new ATOM 0 HB2 LYS A 72 25.111 1.154 -11.793 1.00 54.30 H new ATOM 0 HB3 LYS A 72 26.168 2.512 -11.460 1.00 54.30 H new ATOM 0 HG2 LYS A 72 27.991 0.485 -11.292 1.00 41.01 H new ATOM 0 HG3 LYS A 72 26.858 -0.248 -12.410 1.00 41.01 H new ATOM 0 HD2 LYS A 72 28.429 0.931 -13.782 1.00 72.43 H new ATOM 0 HD3 LYS A 72 26.979 1.914 -13.790 1.00 72.43 H new ATOM 0 HE2 LYS A 72 28.926 2.517 -11.596 1.00 51.53 H new ATOM 0 HE3 LYS A 72 29.480 2.890 -13.216 1.00 51.53 H new ATOM 0 HZ1 LYS A 72 28.351 4.777 -12.872 1.00 51.14 H new ATOM 0 HZ2 LYS A 72 26.987 3.859 -13.295 1.00 51.14 H new ATOM 0 HZ3 LYS A 72 27.366 4.114 -11.659 1.00 51.14 H new ATOM 1108 N LYS A 73 26.415 3.246 -8.806 1.00 4.23 N ATOM 1109 CA LYS A 73 27.140 4.223 -8.012 1.00 34.14 C ATOM 1110 C LYS A 73 27.273 3.710 -6.577 1.00 2.10 C ATOM 1111 O LYS A 73 28.375 3.656 -6.033 1.00 35.44 O ATOM 1112 CB LYS A 73 26.474 5.597 -8.114 1.00 1.20 C ATOM 1113 CG LYS A 73 26.713 6.221 -9.491 1.00 32.13 C ATOM 1114 CD LYS A 73 25.558 7.145 -9.881 1.00 55.50 C ATOM 1115 CE LYS A 73 25.943 8.032 -11.067 1.00 5.11 C ATOM 1116 NZ LYS A 73 27.160 8.815 -10.754 1.00 51.34 N1+ ATOM 0 H LYS A 73 25.541 3.586 -9.207 1.00 4.23 H new ATOM 0 HA LYS A 73 28.150 4.354 -8.399 1.00 34.14 H new ATOM 0 HB2 LYS A 73 25.403 5.500 -7.935 1.00 1.20 H new ATOM 0 HB3 LYS A 73 26.868 6.255 -7.339 1.00 1.20 H new ATOM 0 HG2 LYS A 73 27.647 6.783 -9.482 1.00 32.13 H new ATOM 0 HG3 LYS A 73 26.822 5.434 -10.237 1.00 32.13 H new ATOM 0 HD2 LYS A 73 24.682 6.550 -10.137 1.00 55.50 H new ATOM 0 HD3 LYS A 73 25.283 7.768 -9.030 1.00 55.50 H new ATOM 0 HE2 LYS A 73 26.117 7.415 -11.949 1.00 5.11 H new ATOM 0 HE3 LYS A 73 25.121 8.706 -11.307 1.00 5.11 H new ATOM 0 HZ1 LYS A 73 27.168 9.687 -11.321 1.00 51.34 H new ATOM 0 HZ2 LYS A 73 27.165 9.060 -9.743 1.00 51.34 H new ATOM 0 HZ3 LYS A 73 28.004 8.249 -10.977 1.00 51.34 H new ATOM 1129 N TYR A 74 26.136 3.346 -6.004 1.00 21.02 N ATOM 1130 CA TYR A 74 26.112 2.838 -4.642 1.00 11.41 C ATOM 1131 C TYR A 74 27.175 1.757 -4.441 1.00 42.23 C ATOM 1132 O TYR A 74 27.685 1.580 -3.336 1.00 73.43 O ATOM 1133 CB TYR A 74 24.727 2.217 -4.448 1.00 34.24 C ATOM 1134 CG TYR A 74 24.262 2.176 -2.991 1.00 13.51 C ATOM 1135 CD1 TYR A 74 24.865 1.314 -2.098 1.00 55.13 C ATOM 1136 CD2 TYR A 74 23.241 3.002 -2.569 1.00 0.20 C ATOM 1137 CE1 TYR A 74 24.428 1.275 -0.727 1.00 30.14 C ATOM 1138 CE2 TYR A 74 22.804 2.964 -1.197 1.00 65.02 C ATOM 1139 CZ TYR A 74 23.418 2.102 -0.344 1.00 60.53 C ATOM 1140 OH TYR A 74 23.006 2.066 0.951 1.00 63.13 O ATOM 0 H TYR A 74 25.224 3.392 -6.458 1.00 21.02 H new ATOM 0 HA TYR A 74 26.315 3.638 -3.930 1.00 11.41 H new ATOM 0 HB2 TYR A 74 24.002 2.781 -5.034 1.00 34.24 H new ATOM 0 HB3 TYR A 74 24.737 1.202 -4.844 1.00 34.24 H new ATOM 0 HD1 TYR A 74 25.665 0.668 -2.428 1.00 55.13 H new ATOM 0 HD2 TYR A 74 22.769 3.677 -3.267 1.00 0.20 H new ATOM 0 HE1 TYR A 74 24.891 0.604 -0.019 1.00 30.14 H new ATOM 0 HE2 TYR A 74 22.006 3.606 -0.854 1.00 65.02 H new ATOM 0 HH TYR A 74 22.279 2.710 1.081 1.00 63.13 H new ATOM 1150 N ILE A 75 27.480 1.062 -5.528 1.00 35.22 N ATOM 1151 CA ILE A 75 28.474 0.004 -5.484 1.00 2.31 C ATOM 1152 C ILE A 75 29.186 -0.078 -6.835 1.00 30.40 C ATOM 1153 O ILE A 75 28.752 -0.804 -7.728 1.00 3.45 O ATOM 1154 CB ILE A 75 27.833 -1.316 -5.047 1.00 64.10 C ATOM 1155 CG1 ILE A 75 26.829 -1.088 -3.915 1.00 71.04 C ATOM 1156 CG2 ILE A 75 28.901 -2.345 -4.668 1.00 52.55 C ATOM 1157 CD1 ILE A 75 26.159 -2.401 -3.506 1.00 1.01 C ATOM 0 H ILE A 75 27.056 1.211 -6.444 1.00 35.22 H new ATOM 0 HA ILE A 75 29.234 0.227 -4.735 1.00 2.31 H new ATOM 0 HB ILE A 75 27.279 -1.724 -5.892 1.00 64.10 H new ATOM 0 HG12 ILE A 75 27.337 -0.651 -3.055 1.00 71.04 H new ATOM 0 HG13 ILE A 75 26.071 -0.373 -4.234 1.00 71.04 H new ATOM 0 HG21 ILE A 75 28.419 -3.273 -4.361 1.00 52.55 H new ATOM 0 HG22 ILE A 75 29.543 -2.536 -5.528 1.00 52.55 H new ATOM 0 HG23 ILE A 75 29.502 -1.959 -3.845 1.00 52.55 H new ATOM 0 HD11 ILE A 75 25.450 -2.212 -2.700 1.00 1.01 H new ATOM 0 HD12 ILE A 75 25.632 -2.822 -4.362 1.00 1.01 H new ATOM 0 HD13 ILE A 75 26.917 -3.105 -3.164 1.00 1.01 H new ATOM 1169 N PRO A 76 30.298 0.699 -6.947 1.00 75.43 N ATOM 1170 CA PRO A 76 31.074 0.722 -8.175 1.00 60.41 C ATOM 1171 C PRO A 76 31.908 -0.552 -8.320 1.00 71.21 C ATOM 1172 O PRO A 76 32.719 -0.870 -7.452 1.00 23.43 O ATOM 1173 CB PRO A 76 31.923 1.979 -8.079 1.00 52.32 C ATOM 1174 CG PRO A 76 31.936 2.363 -6.609 1.00 32.44 C ATOM 1175 CD PRO A 76 30.841 1.572 -5.911 1.00 2.31 C ATOM 0 HA PRO A 76 30.449 0.746 -9.068 1.00 60.41 H new ATOM 0 HB2 PRO A 76 32.934 1.796 -8.444 1.00 52.32 H new ATOM 0 HB3 PRO A 76 31.504 2.780 -8.688 1.00 52.32 H new ATOM 0 HG2 PRO A 76 32.907 2.143 -6.166 1.00 32.44 H new ATOM 0 HG3 PRO A 76 31.767 3.434 -6.493 1.00 32.44 H new ATOM 0 HD2 PRO A 76 31.239 0.996 -5.076 1.00 2.31 H new ATOM 0 HD3 PRO A 76 30.073 2.231 -5.506 1.00 2.31 H new ATOM 1183 N GLY A 77 31.680 -1.247 -9.425 1.00 41.14 N ATOM 1184 CA GLY A 77 32.400 -2.480 -9.696 1.00 61.20 C ATOM 1185 C GLY A 77 31.496 -3.698 -9.495 1.00 2.42 C ATOM 1186 O GLY A 77 31.945 -4.836 -9.622 1.00 31.14 O ATOM 0 H GLY A 77 31.007 -0.980 -10.143 1.00 41.14 H new ATOM 0 HA2 GLY A 77 32.778 -2.468 -10.718 1.00 61.20 H new ATOM 0 HA3 GLY A 77 33.265 -2.552 -9.037 1.00 61.20 H new ATOM 1190 N THR A 78 30.239 -3.418 -9.185 1.00 45.32 N ATOM 1191 CA THR A 78 29.268 -4.477 -8.964 1.00 52.32 C ATOM 1192 C THR A 78 28.926 -5.169 -10.285 1.00 15.00 C ATOM 1193 O THR A 78 29.156 -4.614 -11.358 1.00 74.51 O ATOM 1194 CB THR A 78 28.053 -3.866 -8.265 1.00 44.04 C ATOM 1195 OG1 THR A 78 27.333 -4.993 -7.772 1.00 51.42 O ATOM 1196 CG2 THR A 78 27.083 -3.205 -9.248 1.00 71.52 C ATOM 0 H THR A 78 29.870 -2.473 -9.081 1.00 45.32 H new ATOM 0 HA THR A 78 29.672 -5.257 -8.319 1.00 52.32 H new ATOM 0 HB THR A 78 28.387 -3.130 -7.534 1.00 44.04 H new ATOM 0 HG1 THR A 78 26.529 -4.688 -7.302 1.00 51.42 H new ATOM 0 HG21 THR A 78 26.238 -2.787 -8.700 1.00 71.52 H new ATOM 0 HG22 THR A 78 27.597 -2.408 -9.786 1.00 71.52 H new ATOM 0 HG23 THR A 78 26.722 -3.948 -9.959 1.00 71.52 H new ATOM 1204 N LYS A 79 28.382 -6.371 -10.162 1.00 35.35 N ATOM 1205 CA LYS A 79 28.006 -7.145 -11.333 1.00 23.13 C ATOM 1206 C LYS A 79 26.627 -6.691 -11.817 1.00 32.14 C ATOM 1207 O LYS A 79 26.392 -6.584 -13.020 1.00 61.34 O ATOM 1208 CB LYS A 79 28.090 -8.643 -11.036 1.00 4.04 C ATOM 1209 CG LYS A 79 29.226 -8.944 -10.055 1.00 33.42 C ATOM 1210 CD LYS A 79 29.682 -10.399 -10.174 1.00 24.30 C ATOM 1211 CE LYS A 79 28.794 -11.323 -9.337 1.00 10.21 C ATOM 1212 NZ LYS A 79 29.299 -11.409 -7.949 1.00 45.34 N1+ ATOM 0 H LYS A 79 28.193 -6.828 -9.270 1.00 35.35 H new ATOM 0 HA LYS A 79 28.707 -6.966 -12.149 1.00 23.13 H new ATOM 0 HB2 LYS A 79 27.144 -8.989 -10.620 1.00 4.04 H new ATOM 0 HB3 LYS A 79 28.250 -9.193 -11.963 1.00 4.04 H new ATOM 0 HG2 LYS A 79 30.067 -8.279 -10.251 1.00 33.42 H new ATOM 0 HG3 LYS A 79 28.894 -8.746 -9.036 1.00 33.42 H new ATOM 0 HD2 LYS A 79 29.652 -10.709 -11.219 1.00 24.30 H new ATOM 0 HD3 LYS A 79 30.717 -10.487 -9.845 1.00 24.30 H new ATOM 0 HE2 LYS A 79 27.770 -10.949 -9.335 1.00 10.21 H new ATOM 0 HE3 LYS A 79 28.770 -12.317 -9.784 1.00 10.21 H new ATOM 0 HZ1 LYS A 79 29.078 -12.346 -7.557 1.00 45.34 H new ATOM 0 HZ2 LYS A 79 30.329 -11.266 -7.945 1.00 45.34 H new ATOM 0 HZ3 LYS A 79 28.845 -10.675 -7.368 1.00 45.34 H new ATOM 1225 N MET A 80 25.752 -6.437 -10.857 1.00 75.05 N ATOM 1226 CA MET A 80 24.403 -5.996 -11.169 1.00 44.10 C ATOM 1227 C MET A 80 24.417 -4.909 -12.245 1.00 15.21 C ATOM 1228 O MET A 80 25.148 -3.926 -12.129 1.00 11.50 O ATOM 1229 CB MET A 80 23.735 -5.455 -9.904 1.00 41.23 C ATOM 1230 CG MET A 80 22.347 -4.893 -10.214 1.00 12.33 C ATOM 1231 SD MET A 80 21.297 -5.033 -8.778 1.00 55.50 S ATOM 1232 CE MET A 80 20.759 -3.338 -8.619 1.00 4.13 C ATOM 0 H MET A 80 25.951 -6.528 -9.861 1.00 75.05 H new ATOM 0 HA MET A 80 23.841 -6.850 -11.549 1.00 44.10 H new ATOM 0 HB2 MET A 80 23.652 -6.251 -9.164 1.00 41.23 H new ATOM 0 HB3 MET A 80 24.357 -4.675 -9.465 1.00 41.23 H new ATOM 0 HG2 MET A 80 22.428 -3.849 -10.515 1.00 12.33 H new ATOM 0 HG3 MET A 80 21.906 -5.433 -11.051 1.00 12.33 H new ATOM 0 HE1 MET A 80 19.935 -3.283 -7.907 1.00 4.13 H new ATOM 0 HE2 MET A 80 21.587 -2.725 -8.263 1.00 4.13 H new ATOM 0 HE3 MET A 80 20.426 -2.970 -9.589 1.00 4.13 H new ATOM 1242 N ILE A 81 23.600 -5.120 -13.266 1.00 73.13 N ATOM 1243 CA ILE A 81 23.509 -4.170 -14.361 1.00 63.41 C ATOM 1244 C ILE A 81 22.155 -3.460 -14.305 1.00 63.43 C ATOM 1245 O ILE A 81 21.110 -4.109 -14.309 1.00 21.32 O ATOM 1246 CB ILE A 81 23.784 -4.863 -15.697 1.00 65.11 C ATOM 1247 CG1 ILE A 81 25.057 -5.709 -15.624 1.00 3.45 C ATOM 1248 CG2 ILE A 81 23.835 -3.849 -16.841 1.00 43.10 C ATOM 1249 CD1 ILE A 81 25.536 -6.101 -17.023 1.00 64.30 C ATOM 0 H ILE A 81 22.995 -5.936 -13.358 1.00 73.13 H new ATOM 0 HA ILE A 81 24.276 -3.402 -14.262 1.00 63.41 H new ATOM 0 HB ILE A 81 22.957 -5.542 -15.906 1.00 65.11 H new ATOM 0 HG12 ILE A 81 25.840 -5.151 -15.111 1.00 3.45 H new ATOM 0 HG13 ILE A 81 24.868 -6.607 -15.036 1.00 3.45 H new ATOM 0 HG21 ILE A 81 24.032 -4.368 -17.779 1.00 43.10 H new ATOM 0 HG22 ILE A 81 22.880 -3.328 -16.908 1.00 43.10 H new ATOM 0 HG23 ILE A 81 24.630 -3.127 -16.652 1.00 43.10 H new ATOM 0 HD11 ILE A 81 26.442 -6.702 -16.942 1.00 64.30 H new ATOM 0 HD12 ILE A 81 24.760 -6.680 -17.524 1.00 64.30 H new ATOM 0 HD13 ILE A 81 25.747 -5.201 -17.601 1.00 64.30 H new ATOM 1261 N PHE A 82 22.216 -2.138 -14.253 1.00 51.30 N ATOM 1262 CA PHE A 82 21.007 -1.334 -14.194 1.00 2.04 C ATOM 1263 C PHE A 82 21.254 0.068 -14.756 1.00 11.53 C ATOM 1264 O PHE A 82 22.379 0.403 -15.127 1.00 33.35 O ATOM 1265 CB PHE A 82 20.617 -1.219 -12.720 1.00 11.41 C ATOM 1266 CG PHE A 82 19.132 -0.931 -12.489 1.00 52.20 C ATOM 1267 CD1 PHE A 82 18.189 -1.700 -13.096 1.00 64.53 C ATOM 1268 CD2 PHE A 82 18.756 0.094 -11.679 1.00 24.33 C ATOM 1269 CE1 PHE A 82 16.811 -1.434 -12.882 1.00 62.32 C ATOM 1270 CE2 PHE A 82 17.378 0.360 -11.465 1.00 21.13 C ATOM 1271 CZ PHE A 82 16.434 -0.409 -12.072 1.00 52.30 C ATOM 0 H PHE A 82 23.084 -1.603 -14.250 1.00 51.30 H new ATOM 0 HA PHE A 82 20.220 -1.801 -14.787 1.00 2.04 H new ATOM 0 HB2 PHE A 82 20.880 -2.147 -12.212 1.00 11.41 H new ATOM 0 HB3 PHE A 82 21.206 -0.426 -12.260 1.00 11.41 H new ATOM 0 HD1 PHE A 82 18.488 -2.513 -13.741 1.00 64.53 H new ATOM 0 HD2 PHE A 82 19.505 0.706 -11.199 1.00 24.33 H new ATOM 0 HE1 PHE A 82 16.062 -2.046 -13.363 1.00 62.32 H new ATOM 0 HE2 PHE A 82 17.079 1.173 -10.820 1.00 21.13 H new ATOM 0 HZ PHE A 82 15.386 -0.205 -11.911 1.00 52.30 H new ATOM 1281 N VAL A 83 20.185 0.850 -14.800 1.00 11.14 N ATOM 1282 CA VAL A 83 20.272 2.208 -15.309 1.00 50.45 C ATOM 1283 C VAL A 83 19.793 3.184 -14.232 1.00 64.23 C ATOM 1284 O VAL A 83 20.435 4.203 -13.984 1.00 22.41 O ATOM 1285 CB VAL A 83 19.486 2.327 -16.617 1.00 72.20 C ATOM 1286 CG1 VAL A 83 20.166 1.541 -17.739 1.00 12.30 C ATOM 1287 CG2 VAL A 83 18.038 1.873 -16.428 1.00 22.20 C ATOM 0 H VAL A 83 19.254 0.569 -14.491 1.00 11.14 H new ATOM 0 HA VAL A 83 21.306 2.464 -15.542 1.00 50.45 H new ATOM 0 HB VAL A 83 19.473 3.378 -16.906 1.00 72.20 H new ATOM 0 HG11 VAL A 83 19.587 1.642 -18.657 1.00 12.30 H new ATOM 0 HG12 VAL A 83 21.171 1.931 -17.899 1.00 12.30 H new ATOM 0 HG13 VAL A 83 20.225 0.488 -17.462 1.00 12.30 H new ATOM 0 HG21 VAL A 83 17.501 1.967 -17.372 1.00 22.20 H new ATOM 0 HG22 VAL A 83 18.022 0.832 -16.104 1.00 22.20 H new ATOM 0 HG23 VAL A 83 17.557 2.495 -15.673 1.00 22.20 H new ATOM 1297 N GLY A 84 18.670 2.836 -13.622 1.00 42.12 N ATOM 1298 CA GLY A 84 18.097 3.669 -12.578 1.00 22.32 C ATOM 1299 C GLY A 84 16.654 4.052 -12.912 1.00 4.23 C ATOM 1300 O GLY A 84 16.338 4.355 -14.061 1.00 44.21 O ATOM 0 H GLY A 84 18.141 1.989 -13.830 1.00 42.12 H new ATOM 0 HA2 GLY A 84 18.125 3.137 -11.627 1.00 22.32 H new ATOM 0 HA3 GLY A 84 18.697 4.571 -12.457 1.00 22.32 H new ATOM 1304 N ILE A 85 15.816 4.025 -11.885 1.00 0.21 N ATOM 1305 CA ILE A 85 14.413 4.366 -12.055 1.00 22.34 C ATOM 1306 C ILE A 85 14.218 5.857 -11.774 1.00 73.43 C ATOM 1307 O ILE A 85 14.886 6.422 -10.909 1.00 55.21 O ATOM 1308 CB ILE A 85 13.534 3.458 -11.195 1.00 13.11 C ATOM 1309 CG1 ILE A 85 13.960 1.994 -11.328 1.00 31.10 C ATOM 1310 CG2 ILE A 85 12.053 3.654 -11.527 1.00 13.43 C ATOM 1311 CD1 ILE A 85 13.371 1.145 -10.201 1.00 71.13 C ATOM 0 H ILE A 85 16.081 3.772 -10.933 1.00 0.21 H new ATOM 0 HA ILE A 85 14.100 4.192 -13.084 1.00 22.34 H new ATOM 0 HB ILE A 85 13.672 3.740 -10.151 1.00 13.11 H new ATOM 0 HG12 ILE A 85 13.633 1.603 -12.291 1.00 31.10 H new ATOM 0 HG13 ILE A 85 15.048 1.925 -11.309 1.00 31.10 H new ATOM 0 HG21 ILE A 85 11.450 2.996 -10.901 1.00 13.43 H new ATOM 0 HG22 ILE A 85 11.772 4.691 -11.340 1.00 13.43 H new ATOM 0 HG23 ILE A 85 11.881 3.415 -12.576 1.00 13.43 H new ATOM 0 HD11 ILE A 85 13.690 0.110 -10.321 1.00 71.13 H new ATOM 0 HD12 ILE A 85 13.720 1.523 -9.240 1.00 71.13 H new ATOM 0 HD13 ILE A 85 12.283 1.196 -10.238 1.00 71.13 H new ATOM 1323 N LYS A 86 13.299 6.452 -12.520 1.00 70.13 N ATOM 1324 CA LYS A 86 13.007 7.867 -12.362 1.00 52.41 C ATOM 1325 C LYS A 86 11.804 8.033 -11.432 1.00 72.24 C ATOM 1326 O LYS A 86 11.926 8.607 -10.350 1.00 12.14 O ATOM 1327 CB LYS A 86 12.825 8.533 -13.728 1.00 14.22 C ATOM 1328 CG LYS A 86 12.988 10.050 -13.623 1.00 24.43 C ATOM 1329 CD LYS A 86 11.665 10.720 -13.245 1.00 71.23 C ATOM 1330 CE LYS A 86 10.916 11.195 -14.491 1.00 51.35 C ATOM 1331 NZ LYS A 86 9.958 10.163 -14.946 1.00 32.04 N1+ ATOM 0 H LYS A 86 12.747 5.980 -13.236 1.00 70.13 H new ATOM 0 HA LYS A 86 13.847 8.380 -11.893 1.00 52.41 H new ATOM 0 HB2 LYS A 86 13.555 8.133 -14.432 1.00 14.22 H new ATOM 0 HB3 LYS A 86 11.837 8.296 -14.124 1.00 14.22 H new ATOM 0 HG2 LYS A 86 13.746 10.287 -12.876 1.00 24.43 H new ATOM 0 HG3 LYS A 86 13.342 10.448 -14.574 1.00 24.43 H new ATOM 0 HD2 LYS A 86 11.044 10.018 -12.688 1.00 71.23 H new ATOM 0 HD3 LYS A 86 11.857 11.567 -12.587 1.00 71.23 H new ATOM 0 HE2 LYS A 86 10.385 12.121 -14.272 1.00 51.35 H new ATOM 0 HE3 LYS A 86 11.627 11.416 -15.287 1.00 51.35 H new ATOM 0 HZ1 LYS A 86 10.100 9.980 -15.960 1.00 32.04 H new ATOM 0 HZ2 LYS A 86 10.113 9.285 -14.411 1.00 32.04 H new ATOM 0 HZ3 LYS A 86 8.986 10.498 -14.788 1.00 32.04 H new ATOM 1344 N LYS A 87 10.669 7.522 -11.885 1.00 51.43 N ATOM 1345 CA LYS A 87 9.446 7.607 -11.107 1.00 71.11 C ATOM 1346 C LYS A 87 9.670 6.960 -9.739 1.00 30.25 C ATOM 1347 O LYS A 87 9.826 5.743 -9.642 1.00 52.34 O ATOM 1348 CB LYS A 87 8.273 7.008 -11.886 1.00 51.42 C ATOM 1349 CG LYS A 87 7.747 7.994 -12.931 1.00 42.12 C ATOM 1350 CD LYS A 87 6.816 9.026 -12.291 1.00 3.45 C ATOM 1351 CE LYS A 87 5.377 8.510 -12.242 1.00 15.15 C ATOM 1352 NZ LYS A 87 4.790 8.481 -13.601 1.00 2.13 N1+ ATOM 0 H LYS A 87 10.571 7.047 -12.782 1.00 51.43 H new ATOM 0 HA LYS A 87 9.181 8.649 -10.927 1.00 71.11 H new ATOM 0 HB2 LYS A 87 8.590 6.088 -12.377 1.00 51.42 H new ATOM 0 HB3 LYS A 87 7.472 6.742 -11.196 1.00 51.42 H new ATOM 0 HG2 LYS A 87 8.584 8.502 -13.411 1.00 42.12 H new ATOM 0 HG3 LYS A 87 7.213 7.452 -13.712 1.00 42.12 H new ATOM 0 HD2 LYS A 87 7.159 9.254 -11.282 1.00 3.45 H new ATOM 0 HD3 LYS A 87 6.854 9.956 -12.858 1.00 3.45 H new ATOM 0 HE2 LYS A 87 5.358 7.510 -11.810 1.00 15.15 H new ATOM 0 HE3 LYS A 87 4.777 9.149 -11.594 1.00 15.15 H new ATOM 0 HZ1 LYS A 87 3.752 8.497 -13.531 1.00 2.13 H new ATOM 0 HZ2 LYS A 87 5.114 9.311 -14.137 1.00 2.13 H new ATOM 0 HZ3 LYS A 87 5.091 7.614 -14.091 1.00 2.13 H new ATOM 1365 N LYS A 88 9.679 7.802 -8.716 1.00 73.34 N ATOM 1366 CA LYS A 88 9.882 7.327 -7.357 1.00 10.55 C ATOM 1367 C LYS A 88 8.695 6.456 -6.943 1.00 15.32 C ATOM 1368 O LYS A 88 8.811 5.633 -6.037 1.00 51.24 O ATOM 1369 CB LYS A 88 10.143 8.502 -6.413 1.00 73.43 C ATOM 1370 CG LYS A 88 8.876 8.875 -5.640 1.00 35.34 C ATOM 1371 CD LYS A 88 7.766 9.327 -6.592 1.00 1.31 C ATOM 1372 CE LYS A 88 7.530 10.835 -6.483 1.00 44.14 C ATOM 1373 NZ LYS A 88 6.274 11.111 -5.751 1.00 21.31 N1+ ATOM 0 H LYS A 88 9.549 8.810 -8.801 1.00 73.34 H new ATOM 0 HA LYS A 88 10.772 6.700 -7.301 1.00 10.55 H new ATOM 0 HB2 LYS A 88 10.937 8.242 -5.713 1.00 73.43 H new ATOM 0 HB3 LYS A 88 10.491 9.362 -6.985 1.00 73.43 H new ATOM 0 HG2 LYS A 88 8.535 8.018 -5.059 1.00 35.34 H new ATOM 0 HG3 LYS A 88 9.099 9.673 -4.931 1.00 35.34 H new ATOM 0 HD2 LYS A 88 8.034 9.070 -7.617 1.00 1.31 H new ATOM 0 HD3 LYS A 88 6.844 8.793 -6.361 1.00 1.31 H new ATOM 0 HE2 LYS A 88 8.369 11.304 -5.968 1.00 44.14 H new ATOM 0 HE3 LYS A 88 7.481 11.274 -7.479 1.00 44.14 H new ATOM 0 HZ1 LYS A 88 6.129 12.139 -5.686 1.00 21.31 H new ATOM 0 HZ2 LYS A 88 5.475 10.680 -6.258 1.00 21.31 H new ATOM 0 HZ3 LYS A 88 6.334 10.709 -4.794 1.00 21.31 H new ATOM 1386 N GLU A 89 7.581 6.667 -7.628 1.00 4.13 N ATOM 1387 CA GLU A 89 6.372 5.912 -7.343 1.00 30.31 C ATOM 1388 C GLU A 89 6.586 4.430 -7.659 1.00 34.03 C ATOM 1389 O GLU A 89 6.011 3.562 -7.003 1.00 20.11 O ATOM 1390 CB GLU A 89 5.179 6.471 -8.118 1.00 13.22 C ATOM 1391 CG GLU A 89 4.604 7.708 -7.424 1.00 72.24 C ATOM 1392 CD GLU A 89 3.150 7.943 -7.838 1.00 43.14 C ATOM 1393 OE1 GLU A 89 2.660 7.294 -8.774 1.00 43.15 O ATOM 1394 OE2 GLU A 89 2.525 8.837 -7.149 1.00 73.44 O1- ATOM 0 H GLU A 89 7.490 7.350 -8.380 1.00 4.13 H new ATOM 0 HA GLU A 89 6.149 6.009 -6.281 1.00 30.31 H new ATOM 0 HB2 GLU A 89 5.488 6.729 -9.131 1.00 13.22 H new ATOM 0 HB3 GLU A 89 4.407 5.707 -8.205 1.00 13.22 H new ATOM 0 HG2 GLU A 89 4.662 7.583 -6.343 1.00 72.24 H new ATOM 0 HG3 GLU A 89 5.204 8.583 -7.676 1.00 72.24 H new ATOM 1402 N GLU A 90 7.413 4.185 -8.664 1.00 5.05 N ATOM 1403 CA GLU A 90 7.709 2.824 -9.076 1.00 64.24 C ATOM 1404 C GLU A 90 8.705 2.182 -8.108 1.00 42.35 C ATOM 1405 O GLU A 90 8.668 0.973 -7.885 1.00 45.31 O ATOM 1406 CB GLU A 90 8.239 2.788 -10.511 1.00 25.43 C ATOM 1407 CG GLU A 90 7.090 2.837 -11.520 1.00 31.10 C ATOM 1408 CD GLU A 90 7.599 2.596 -12.943 1.00 25.43 C ATOM 1409 OE1 GLU A 90 8.700 2.053 -13.124 1.00 53.11 O ATOM 1410 OE2 GLU A 90 6.808 2.995 -13.880 1.00 24.22 O1- ATOM 0 H GLU A 90 7.888 4.907 -9.206 1.00 5.05 H new ATOM 0 HA GLU A 90 6.784 2.248 -9.051 1.00 64.24 H new ATOM 0 HB2 GLU A 90 8.909 3.631 -10.676 1.00 25.43 H new ATOM 0 HB3 GLU A 90 8.824 1.881 -10.664 1.00 25.43 H new ATOM 0 HG2 GLU A 90 6.344 2.084 -11.264 1.00 31.10 H new ATOM 0 HG3 GLU A 90 6.595 3.807 -11.466 1.00 31.10 H new ATOM 1418 N ARG A 91 9.572 3.019 -7.559 1.00 31.35 N ATOM 1419 CA ARG A 91 10.577 2.549 -6.621 1.00 20.15 C ATOM 1420 C ARG A 91 9.934 2.236 -5.268 1.00 3.32 C ATOM 1421 O ARG A 91 10.478 1.463 -4.481 1.00 1.04 O ATOM 1422 CB ARG A 91 11.679 3.591 -6.424 1.00 14.11 C ATOM 1423 CG ARG A 91 12.482 3.790 -7.712 1.00 42.25 C ATOM 1424 CD ARG A 91 13.871 4.357 -7.411 1.00 41.32 C ATOM 1425 NE ARG A 91 13.747 5.691 -6.781 1.00 5.33 N ATOM 1426 CZ ARG A 91 13.451 6.822 -7.456 1.00 1.11 C ATOM 1427 NH1 ARG A 91 13.246 6.790 -8.791 1.00 41.21 N ATOM 1428 NH2 ARG A 91 13.366 7.960 -6.793 1.00 32.24 N1+ ATOM 0 H ARG A 91 9.599 4.021 -7.746 1.00 31.35 H new ATOM 0 HA ARG A 91 11.020 1.644 -7.036 1.00 20.15 H new ATOM 0 HB2 ARG A 91 11.237 4.539 -6.116 1.00 14.11 H new ATOM 0 HB3 ARG A 91 12.345 3.274 -5.621 1.00 14.11 H new ATOM 0 HG2 ARG A 91 12.579 2.838 -8.235 1.00 42.25 H new ATOM 0 HG3 ARG A 91 11.946 4.466 -8.378 1.00 42.25 H new ATOM 0 HD2 ARG A 91 14.413 3.682 -6.749 1.00 41.32 H new ATOM 0 HD3 ARG A 91 14.449 4.433 -8.332 1.00 41.32 H new ATOM 0 HE ARG A 91 13.894 5.760 -5.774 1.00 5.33 H new ATOM 0 HH11 ARG A 91 13.314 5.907 -9.296 1.00 41.21 H new ATOM 0 HH12 ARG A 91 13.023 7.649 -9.293 1.00 41.21 H new ATOM 0 HH21 ARG A 91 13.523 7.976 -5.785 1.00 32.24 H new ATOM 0 HH22 ARG A 91 13.143 8.823 -7.288 1.00 32.24 H new ATOM 1441 N ALA A 92 8.783 2.853 -5.039 1.00 43.14 N ATOM 1442 CA ALA A 92 8.061 2.649 -3.794 1.00 61.50 C ATOM 1443 C ALA A 92 7.330 1.306 -3.848 1.00 12.24 C ATOM 1444 O ALA A 92 7.377 0.532 -2.893 1.00 11.23 O ATOM 1445 CB ALA A 92 7.107 3.823 -3.561 1.00 62.14 C ATOM 0 H ALA A 92 8.333 3.493 -5.694 1.00 43.14 H new ATOM 0 HA ALA A 92 8.750 2.615 -2.950 1.00 61.50 H new ATOM 0 HB1 ALA A 92 6.565 3.671 -2.628 1.00 62.14 H new ATOM 0 HB2 ALA A 92 7.678 4.750 -3.503 1.00 62.14 H new ATOM 0 HB3 ALA A 92 6.398 3.885 -4.387 1.00 62.14 H new ATOM 1451 N ASP A 93 6.673 1.071 -4.974 1.00 75.33 N ATOM 1452 CA ASP A 93 5.933 -0.165 -5.164 1.00 73.40 C ATOM 1453 C ASP A 93 6.918 -1.331 -5.272 1.00 31.00 C ATOM 1454 O ASP A 93 6.778 -2.334 -4.572 1.00 62.34 O ATOM 1455 CB ASP A 93 5.109 -0.121 -6.452 1.00 62.14 C ATOM 1456 CG ASP A 93 4.240 1.126 -6.622 1.00 74.20 C ATOM 1457 OD1 ASP A 93 4.370 2.102 -5.868 1.00 71.11 O ATOM 1458 OD2 ASP A 93 3.389 1.070 -7.590 1.00 64.24 O1- ATOM 0 H ASP A 93 6.638 1.715 -5.764 1.00 75.33 H new ATOM 0 HA ASP A 93 5.264 -0.293 -4.313 1.00 73.40 H new ATOM 0 HB2 ASP A 93 5.788 -0.191 -7.302 1.00 62.14 H new ATOM 0 HB3 ASP A 93 4.466 -1.001 -6.484 1.00 62.14 H new ATOM 1464 N LEU A 94 7.891 -1.162 -6.154 1.00 12.24 N ATOM 1465 CA LEU A 94 8.899 -2.190 -6.362 1.00 1.33 C ATOM 1466 C LEU A 94 9.421 -2.668 -5.006 1.00 21.32 C ATOM 1467 O LEU A 94 9.673 -3.858 -4.819 1.00 4.12 O ATOM 1468 CB LEU A 94 9.996 -1.680 -7.299 1.00 1.22 C ATOM 1469 CG LEU A 94 11.154 -2.645 -7.561 1.00 64.13 C ATOM 1470 CD1 LEU A 94 10.668 -3.898 -8.293 1.00 14.55 C ATOM 1471 CD2 LEU A 94 12.290 -1.948 -8.314 1.00 54.24 C ATOM 0 H LEU A 94 8.004 -0.330 -6.733 1.00 12.24 H new ATOM 0 HA LEU A 94 8.464 -3.057 -6.859 1.00 1.33 H new ATOM 0 HB2 LEU A 94 9.540 -1.423 -8.255 1.00 1.22 H new ATOM 0 HB3 LEU A 94 10.403 -0.759 -6.882 1.00 1.22 H new ATOM 0 HG LEU A 94 11.554 -2.967 -6.599 1.00 64.13 H new ATOM 0 HD11 LEU A 94 11.510 -4.567 -8.467 1.00 14.55 H new ATOM 0 HD12 LEU A 94 9.920 -4.407 -7.686 1.00 14.55 H new ATOM 0 HD13 LEU A 94 10.227 -3.613 -9.248 1.00 14.55 H new ATOM 0 HD21 LEU A 94 13.100 -2.656 -8.487 1.00 54.24 H new ATOM 0 HD22 LEU A 94 11.920 -1.579 -9.271 1.00 54.24 H new ATOM 0 HD23 LEU A 94 12.660 -1.112 -7.721 1.00 54.24 H new ATOM 1483 N ILE A 95 9.567 -1.718 -4.095 1.00 21.15 N ATOM 1484 CA ILE A 95 10.053 -2.028 -2.761 1.00 63.21 C ATOM 1485 C ILE A 95 8.917 -2.634 -1.936 1.00 63.41 C ATOM 1486 O ILE A 95 9.121 -3.607 -1.211 1.00 23.11 O ATOM 1487 CB ILE A 95 10.686 -0.791 -2.121 1.00 43.12 C ATOM 1488 CG1 ILE A 95 11.934 -0.352 -2.892 1.00 32.14 C ATOM 1489 CG2 ILE A 95 10.983 -1.032 -0.639 1.00 73.02 C ATOM 1490 CD1 ILE A 95 12.344 1.070 -2.505 1.00 73.24 C ATOM 0 H ILE A 95 9.357 -0.733 -4.254 1.00 21.15 H new ATOM 0 HA ILE A 95 10.845 -2.775 -2.809 1.00 63.21 H new ATOM 0 HB ILE A 95 9.969 0.028 -2.177 1.00 43.12 H new ATOM 0 HG12 ILE A 95 12.754 -1.040 -2.686 1.00 32.14 H new ATOM 0 HG13 ILE A 95 11.740 -0.400 -3.963 1.00 32.14 H new ATOM 0 HG21 ILE A 95 11.432 -0.137 -0.208 1.00 73.02 H new ATOM 0 HG22 ILE A 95 10.055 -1.261 -0.115 1.00 73.02 H new ATOM 0 HG23 ILE A 95 11.673 -1.870 -0.538 1.00 73.02 H new ATOM 0 HD11 ILE A 95 13.233 1.358 -3.066 1.00 73.24 H new ATOM 0 HD12 ILE A 95 11.531 1.758 -2.735 1.00 73.24 H new ATOM 0 HD13 ILE A 95 12.561 1.108 -1.438 1.00 73.24 H new ATOM 1502 N ALA A 96 7.744 -2.035 -2.073 1.00 32.22 N ATOM 1503 CA ALA A 96 6.574 -2.503 -1.349 1.00 61.14 C ATOM 1504 C ALA A 96 6.394 -4.002 -1.595 1.00 33.13 C ATOM 1505 O ALA A 96 5.752 -4.692 -0.805 1.00 22.11 O ATOM 1506 CB ALA A 96 5.350 -1.690 -1.777 1.00 55.41 C ATOM 0 H ALA A 96 7.578 -1.229 -2.675 1.00 32.22 H new ATOM 0 HA ALA A 96 6.702 -2.358 -0.276 1.00 61.14 H new ATOM 0 HB1 ALA A 96 4.472 -2.041 -1.234 1.00 55.41 H new ATOM 0 HB2 ALA A 96 5.517 -0.636 -1.554 1.00 55.41 H new ATOM 0 HB3 ALA A 96 5.188 -1.813 -2.848 1.00 55.41 H new ATOM 1512 N TYR A 97 6.971 -4.462 -2.696 1.00 60.33 N ATOM 1513 CA TYR A 97 6.883 -5.867 -3.057 1.00 13.11 C ATOM 1514 C TYR A 97 8.086 -6.647 -2.523 1.00 22.34 C ATOM 1515 O TYR A 97 7.923 -7.631 -1.804 1.00 64.42 O ATOM 1516 CB TYR A 97 6.898 -5.912 -4.586 1.00 3.14 C ATOM 1517 CG TYR A 97 7.395 -7.238 -5.164 1.00 15.05 C ATOM 1518 CD1 TYR A 97 7.206 -8.411 -4.463 1.00 21.51 C ATOM 1519 CD2 TYR A 97 8.032 -7.261 -6.388 1.00 74.52 C ATOM 1520 CE1 TYR A 97 7.673 -9.660 -5.007 1.00 54.24 C ATOM 1521 CE2 TYR A 97 8.500 -8.509 -6.933 1.00 1.23 C ATOM 1522 CZ TYR A 97 8.297 -9.647 -6.216 1.00 73.54 C ATOM 1523 OH TYR A 97 8.739 -10.826 -6.731 1.00 60.45 O ATOM 0 H TYR A 97 7.501 -3.886 -3.350 1.00 60.33 H new ATOM 0 HA TYR A 97 5.984 -6.316 -2.635 1.00 13.11 H new ATOM 0 HB2 TYR A 97 5.890 -5.722 -4.955 1.00 3.14 H new ATOM 0 HB3 TYR A 97 7.531 -5.106 -4.957 1.00 3.14 H new ATOM 0 HD1 TYR A 97 6.707 -8.393 -3.505 1.00 21.51 H new ATOM 0 HD2 TYR A 97 8.180 -6.343 -6.937 1.00 74.52 H new ATOM 0 HE1 TYR A 97 7.531 -10.585 -4.468 1.00 54.24 H new ATOM 0 HE2 TYR A 97 9.001 -8.541 -7.889 1.00 1.23 H new ATOM 0 HH TYR A 97 9.326 -10.649 -7.495 1.00 60.45 H new ATOM 1533 N LEU A 98 9.267 -6.178 -2.897 1.00 52.20 N ATOM 1534 CA LEU A 98 10.497 -6.819 -2.465 1.00 32.23 C ATOM 1535 C LEU A 98 10.497 -6.938 -0.940 1.00 0.11 C ATOM 1536 O LEU A 98 11.166 -7.807 -0.381 1.00 31.23 O ATOM 1537 CB LEU A 98 11.713 -6.077 -3.024 1.00 12.22 C ATOM 1538 CG LEU A 98 12.063 -6.366 -4.485 1.00 61.35 C ATOM 1539 CD1 LEU A 98 13.428 -5.779 -4.849 1.00 55.52 C ATOM 1540 CD2 LEU A 98 11.986 -7.866 -4.781 1.00 14.05 C ATOM 0 H LEU A 98 9.398 -5.362 -3.494 1.00 52.20 H new ATOM 0 HA LEU A 98 10.559 -7.831 -2.864 1.00 32.23 H new ATOM 0 HB2 LEU A 98 11.540 -5.006 -2.918 1.00 12.22 H new ATOM 0 HB3 LEU A 98 12.578 -6.323 -2.408 1.00 12.22 H new ATOM 0 HG LEU A 98 11.323 -5.875 -5.117 1.00 61.35 H new ATOM 0 HD11 LEU A 98 13.652 -5.999 -5.893 1.00 55.52 H new ATOM 0 HD12 LEU A 98 13.411 -4.699 -4.701 1.00 55.52 H new ATOM 0 HD13 LEU A 98 14.195 -6.220 -4.213 1.00 55.52 H new ATOM 0 HD21 LEU A 98 12.239 -8.044 -5.826 1.00 14.05 H new ATOM 0 HD22 LEU A 98 12.689 -8.400 -4.141 1.00 14.05 H new ATOM 0 HD23 LEU A 98 10.975 -8.224 -4.587 1.00 14.05 H new ATOM 1552 N LYS A 99 9.739 -6.053 -0.309 1.00 42.13 N ATOM 1553 CA LYS A 99 9.643 -6.049 1.141 1.00 65.14 C ATOM 1554 C LYS A 99 8.730 -7.191 1.591 1.00 74.10 C ATOM 1555 O LYS A 99 8.934 -7.771 2.656 1.00 12.40 O ATOM 1556 CB LYS A 99 9.202 -4.673 1.643 1.00 53.10 C ATOM 1557 CG LYS A 99 7.678 -4.593 1.758 1.00 51.40 C ATOM 1558 CD LYS A 99 7.228 -3.173 2.101 1.00 53.31 C ATOM 1559 CE LYS A 99 5.713 -3.024 1.939 1.00 14.20 C ATOM 1560 NZ LYS A 99 5.008 -3.603 3.103 1.00 30.50 N1+ ATOM 0 H LYS A 99 9.186 -5.334 -0.775 1.00 42.13 H new ATOM 0 HA LYS A 99 10.620 -6.228 1.589 1.00 65.14 H new ATOM 0 HB2 LYS A 99 9.654 -4.474 2.615 1.00 53.10 H new ATOM 0 HB3 LYS A 99 9.560 -3.901 0.961 1.00 53.10 H new ATOM 0 HG2 LYS A 99 7.222 -4.906 0.819 1.00 51.40 H new ATOM 0 HG3 LYS A 99 7.331 -5.284 2.526 1.00 51.40 H new ATOM 0 HD2 LYS A 99 7.513 -2.935 3.126 1.00 53.31 H new ATOM 0 HD3 LYS A 99 7.739 -2.460 1.454 1.00 53.31 H new ATOM 0 HE2 LYS A 99 5.454 -1.970 1.837 1.00 14.20 H new ATOM 0 HE3 LYS A 99 5.388 -3.522 1.025 1.00 14.20 H new ATOM 0 HZ1 LYS A 99 3.982 -3.493 2.977 1.00 30.50 H new ATOM 0 HZ2 LYS A 99 5.241 -4.613 3.183 1.00 30.50 H new ATOM 0 HZ3 LYS A 99 5.305 -3.110 3.969 1.00 30.50 H new ATOM 1573 N LYS A 100 7.741 -7.478 0.757 1.00 45.50 N ATOM 1574 CA LYS A 100 6.795 -8.540 1.055 1.00 71.42 C ATOM 1575 C LYS A 100 7.303 -9.853 0.457 1.00 15.31 C ATOM 1576 O LYS A 100 6.815 -10.927 0.804 1.00 13.03 O ATOM 1577 CB LYS A 100 5.391 -8.153 0.587 1.00 23.01 C ATOM 1578 CG LYS A 100 4.323 -8.941 1.350 1.00 62.30 C ATOM 1579 CD LYS A 100 2.922 -8.607 0.834 1.00 21.42 C ATOM 1580 CE LYS A 100 1.873 -8.797 1.930 1.00 4.03 C ATOM 1581 NZ LYS A 100 0.509 -8.737 1.360 1.00 72.11 N1+ ATOM 0 H LYS A 100 7.574 -6.993 -0.125 1.00 45.50 H new ATOM 0 HA LYS A 100 6.717 -8.690 2.132 1.00 71.42 H new ATOM 0 HB2 LYS A 100 5.236 -7.084 0.736 1.00 23.01 H new ATOM 0 HB3 LYS A 100 5.294 -8.343 -0.482 1.00 23.01 H new ATOM 0 HG2 LYS A 100 4.509 -10.010 1.243 1.00 62.30 H new ATOM 0 HG3 LYS A 100 4.387 -8.711 2.414 1.00 62.30 H new ATOM 0 HD2 LYS A 100 2.898 -7.577 0.478 1.00 21.42 H new ATOM 0 HD3 LYS A 100 2.683 -9.244 -0.017 1.00 21.42 H new ATOM 0 HE2 LYS A 100 2.025 -9.757 2.424 1.00 4.03 H new ATOM 0 HE3 LYS A 100 1.990 -8.025 2.691 1.00 4.03 H new ATOM 0 HZ1 LYS A 100 -0.190 -8.868 2.119 1.00 72.11 H new ATOM 0 HZ2 LYS A 100 0.362 -7.811 0.909 1.00 72.11 H new ATOM 0 HZ3 LYS A 100 0.396 -9.489 0.651 1.00 72.11 H new ATOM 1594 N ALA A 101 8.278 -9.723 -0.431 1.00 64.02 N ATOM 1595 CA ALA A 101 8.858 -10.886 -1.081 1.00 24.13 C ATOM 1596 C ALA A 101 9.914 -11.504 -0.163 1.00 72.45 C ATOM 1597 O ALA A 101 9.919 -12.715 0.056 1.00 21.11 O ATOM 1598 CB ALA A 101 9.431 -10.479 -2.440 1.00 75.14 C ATOM 0 H ALA A 101 8.681 -8.830 -0.715 1.00 64.02 H new ATOM 0 HA ALA A 101 8.096 -11.644 -1.263 1.00 24.13 H new ATOM 0 HB1 ALA A 101 9.866 -11.351 -2.927 1.00 75.14 H new ATOM 0 HB2 ALA A 101 8.634 -10.074 -3.064 1.00 75.14 H new ATOM 0 HB3 ALA A 101 10.201 -9.721 -2.298 1.00 75.14 H new ATOM 1604 N THR A 102 10.783 -10.646 0.349 1.00 15.34 N ATOM 1605 CA THR A 102 11.841 -11.093 1.238 1.00 4.43 C ATOM 1606 C THR A 102 11.308 -11.253 2.663 1.00 51.23 C ATOM 1607 O THR A 102 12.068 -11.547 3.585 1.00 33.25 O ATOM 1608 CB THR A 102 12.999 -10.097 1.132 1.00 53.10 C ATOM 1609 OG1 THR A 102 12.483 -8.901 1.707 1.00 60.21 O ATOM 1610 CG2 THR A 102 13.309 -9.712 -0.317 1.00 73.13 C ATOM 0 H THR A 102 10.776 -9.643 0.165 1.00 15.34 H new ATOM 0 HA THR A 102 12.210 -12.077 0.950 1.00 4.43 H new ATOM 0 HB THR A 102 13.889 -10.526 1.592 1.00 53.10 H new ATOM 0 HG1 THR A 102 12.030 -8.375 1.016 1.00 60.21 H new ATOM 0 HG21 THR A 102 14.138 -9.004 -0.336 1.00 73.13 H new ATOM 0 HG22 THR A 102 13.581 -10.605 -0.880 1.00 73.13 H new ATOM 0 HG23 THR A 102 12.429 -9.253 -0.768 1.00 73.13 H new ATOM 1618 N ASN A 103 10.005 -11.054 2.799 1.00 70.44 N ATOM 1619 CA ASN A 103 9.361 -11.173 4.097 1.00 11.44 C ATOM 1620 C ASN A 103 8.594 -12.496 4.160 1.00 44.21 C ATOM 1621 O ASN A 103 8.898 -13.355 4.987 1.00 20.15 O ATOM 1622 CB ASN A 103 8.364 -10.037 4.323 1.00 54.20 C ATOM 1623 CG ASN A 103 7.529 -10.282 5.583 1.00 33.53 C ATOM 1624 OD1 ASN A 103 6.310 -10.282 5.560 1.00 4.43 O ATOM 1625 ND2 ASN A 103 8.254 -10.490 6.678 1.00 23.31 N ATOM 0 H ASN A 103 9.378 -10.811 2.032 1.00 70.44 H new ATOM 0 HA ASN A 103 10.135 -11.130 4.863 1.00 11.44 H new ATOM 0 HB2 ASN A 103 8.899 -9.092 4.415 1.00 54.20 H new ATOM 0 HB3 ASN A 103 7.706 -9.948 3.458 1.00 54.20 H new ATOM 0 HD21 ASN A 103 7.792 -10.663 7.570 1.00 23.31 H new ATOM 0 HD22 ASN A 103 9.273 -10.476 6.626 1.00 23.31 H new ATOM 1632 N GLU A 104 7.616 -12.619 3.276 1.00 23.13 N ATOM 1633 CA GLU A 104 6.803 -13.822 3.221 1.00 54.13 C ATOM 1634 C GLU A 104 7.688 -15.051 3.010 1.00 73.12 C ATOM 1635 O GLU A 104 8.648 -15.005 2.241 1.00 31.02 O ATOM 1636 CB GLU A 104 5.740 -13.716 2.125 1.00 64.13 C ATOM 1637 CG GLU A 104 6.382 -13.736 0.736 1.00 74.30 C ATOM 1638 CD GLU A 104 6.527 -15.170 0.220 1.00 30.24 C ATOM 1639 OE1 GLU A 104 7.532 -15.496 -0.428 1.00 70.41 O ATOM 1640 OE2 GLU A 104 5.549 -15.957 0.515 1.00 71.21 O1- ATOM 0 H GLU A 104 7.368 -11.905 2.591 1.00 23.13 H new ATOM 0 HA GLU A 104 6.285 -13.931 4.174 1.00 54.13 H new ATOM 0 HB2 GLU A 104 5.035 -14.542 2.216 1.00 64.13 H new ATOM 0 HB3 GLU A 104 5.170 -12.796 2.253 1.00 64.13 H new ATOM 0 HG2 GLU A 104 5.774 -13.156 0.042 1.00 74.30 H new ATOM 0 HG3 GLU A 104 7.362 -13.260 0.777 1.00 74.30 H new TER 1648 GLU A 104 HETATM 1649 FE HEC A 500 20.323 -7.022 -8.322 1.00 34.12 FE HETATM 1650 CHA HEC A 500 22.824 -7.414 -5.964 1.00 70.41 C HETATM 1651 CHB HEC A 500 18.286 -5.638 -5.937 1.00 51.40 C HETATM 1652 CHC HEC A 500 18.312 -6.052 -10.832 1.00 30.32 C HETATM 1653 CHD HEC A 500 22.259 -8.886 -10.557 1.00 22.15 C HETATM 1654 NA HEC A 500 20.547 -6.539 -6.336 1.00 31.22 N HETATM 1655 C1A HEC A 500 21.652 -6.790 -5.598 1.00 70.42 C HETATM 1656 C2A HEC A 500 21.393 -6.380 -4.252 1.00 55.42 C HETATM 1657 C3A HEC A 500 20.110 -5.889 -4.210 1.00 21.02 C HETATM 1658 C4A HEC A 500 19.569 -6.014 -5.546 1.00 11.25 C HETATM 1659 CMA HEC A 500 19.438 -5.276 -3.008 1.00 33.23 C HETATM 1660 CAA HEC A 500 22.321 -6.630 -3.098 1.00 52.15 C HETATM 1661 CBA HEC A 500 22.057 -7.947 -2.363 1.00 50.33 C HETATM 1662 CGA HEC A 500 20.664 -7.934 -1.754 1.00 24.15 C HETATM 1663 O1A HEC A 500 19.694 -7.857 -2.534 1.00 51.15 O HETATM 1664 O2A HEC A 500 20.595 -8.085 -0.513 1.00 64.43 O HETATM 1665 NB HEC A 500 18.568 -6.105 -8.366 1.00 15.25 N HETATM 1666 C1B HEC A 500 17.882 -5.654 -7.277 1.00 55.24 C HETATM 1667 C2B HEC A 500 16.620 -5.154 -7.758 1.00 23.13 C HETATM 1668 C3B HEC A 500 16.686 -5.134 -9.137 1.00 22.40 C HETATM 1669 C4B HEC A 500 17.916 -5.791 -9.512 1.00 23.25 C HETATM 1670 CMB HEC A 500 15.452 -4.753 -6.896 1.00 22.42 C HETATM 1671 CAB HEC A 500 15.649 -4.597 -10.102 1.00 55.14 C HETATM 1672 CBB HEC A 500 14.952 -3.305 -9.667 1.00 1.25 C HETATM 1673 NC HEC A 500 20.269 -7.437 -10.347 1.00 13.44 N HETATM 1674 C1C HEC A 500 19.337 -6.926 -11.173 1.00 70.35 C HETATM 1675 C2C HEC A 500 19.544 -7.506 -12.483 1.00 1.23 C HETATM 1676 C3C HEC A 500 20.569 -8.418 -12.364 1.00 62.35 C HETATM 1677 C4C HEC A 500 21.105 -8.267 -11.029 1.00 2.33 C HETATM 1678 CMC HEC A 500 18.654 -7.324 -13.692 1.00 14.53 C HETATM 1679 CAC HEC A 500 21.003 -9.467 -13.382 1.00 40.04 C HETATM 1680 CBC HEC A 500 21.561 -8.887 -14.687 1.00 35.45 C HETATM 1681 ND HEC A 500 22.194 -7.997 -8.257 1.00 31.33 N HETATM 1682 C1D HEC A 500 22.753 -8.706 -9.272 1.00 44.31 C HETATM 1683 C2D HEC A 500 24.012 -9.231 -8.792 1.00 33.44 C HETATM 1684 C3D HEC A 500 24.187 -8.763 -7.515 1.00 2.54 C HETATM 1685 C4D HEC A 500 23.015 -8.005 -7.184 1.00 41.22 C HETATM 1686 CMD HEC A 500 24.984 -10.098 -9.549 1.00 21.21 C HETATM 1687 CAD HEC A 500 25.435 -8.896 -6.677 1.00 14.14 C HETATM 1688 CBD HEC A 500 26.618 -8.187 -7.334 1.00 13.53 C HETATM 1689 CGD HEC A 500 27.610 -7.667 -6.316 1.00 13.34 C HETATM 1690 O1D HEC A 500 27.171 -6.995 -5.363 1.00 32.14 O HETATM 1691 O2D HEC A 500 28.816 -7.915 -6.509 1.00 31.10 O HETATM 0 HMD3 HEC A 500 24.492 -11.025 -9.844 1.00 21.21 H new HETATM 0 HMD2 HEC A 500 25.326 -9.570 -10.439 1.00 21.21 H new HETATM 0 HMD1 HEC A 500 25.839 -10.327 -8.913 1.00 21.21 H new HETATM 0 HMC3 HEC A 500 17.654 -7.693 -13.466 1.00 14.53 H new HETATM 0 HMC2 HEC A 500 18.601 -6.266 -13.949 1.00 14.53 H new HETATM 0 HMC1 HEC A 500 19.065 -7.881 -14.534 1.00 14.53 H new HETATM 0 HMB3 HEC A 500 15.124 -5.609 -6.306 1.00 22.42 H new HETATM 0 HMB2 HEC A 500 15.753 -3.946 -6.228 1.00 22.42 H new HETATM 0 HMB1 HEC A 500 14.632 -4.413 -7.529 1.00 22.42 H new HETATM 0 HMA3 HEC A 500 19.403 -6.006 -2.199 1.00 33.23 H new HETATM 0 HMA2 HEC A 500 20.001 -4.401 -2.683 1.00 33.23 H new HETATM 0 HMA1 HEC A 500 18.423 -4.977 -3.271 1.00 33.23 H new HETATM 0 HBD2 HEC A 500 27.122 -8.877 -8.011 1.00 13.53 H new HETATM 0 HBD1 HEC A 500 26.252 -7.357 -7.939 1.00 13.53 H new HETATM 0 HBC3 HEC A 500 20.799 -8.273 -15.167 1.00 35.45 H new HETATM 0 HBC2 HEC A 500 22.436 -8.275 -14.468 1.00 35.45 H new HETATM 0 HBC1 HEC A 500 21.845 -9.700 -15.354 1.00 35.45 H new HETATM 0 HBB3 HEC A 500 14.436 -3.471 -8.721 1.00 1.25 H new HETATM 0 HBB2 HEC A 500 15.693 -2.516 -9.542 1.00 1.25 H new HETATM 0 HBB1 HEC A 500 14.230 -3.007 -10.427 1.00 1.25 H new HETATM 0 HBA2 HEC A 500 22.152 -8.784 -3.055 1.00 50.33 H new HETATM 0 HBA1 HEC A 500 22.803 -8.092 -1.582 1.00 50.33 H new HETATM 0 HAD2 HEC A 500 25.259 -8.475 -5.687 1.00 14.14 H new HETATM 0 HAD1 HEC A 500 25.672 -9.951 -6.537 1.00 14.14 H new HETATM 0 HAA2 HEC A 500 23.348 -6.629 -3.464 1.00 52.15 H new HETATM 0 HAA1 HEC A 500 22.234 -5.806 -2.390 1.00 52.15 H new HETATM 0 HHD HEC A 500 22.803 -9.547 -11.232 1.00 22.15 H new HETATM 0 HHC HEC A 500 17.785 -5.540 -11.637 1.00 30.32 H new HETATM 0 HHB HEC A 500 17.574 -5.321 -5.175 1.00 51.40 H new HETATM 0 HHA HEC A 500 23.642 -7.439 -5.245 1.00 70.41 H new HETATM 0 H2A HEC A 500 20.743 -7.223 -0.070 1.00 64.43 H new