USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 820 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 ASN : amide:sc= -10.2! C(o=-22!,f=-23!) USER MOD Set 1.2: A 33 HIS : no HD1:sc= -11.8! C(o=-22!,f=-32!) USER MOD Single : A 5 LYS NZ :NH3+ -135:sc= 0.347 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -1.99! C(o=-2!,f=-2.4!) USER MOD Single : A 13 LYS NZ :NH3+ 167:sc= -4.64! (180deg=-5.09!) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0373 USER MOD Single : A 16 GLN : amide:sc= -2.55 K(o=-2.6,f=-0.75) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0448 USER MOD Single : A 18 HIS : no HD1:sc= -3.65! K(o=-3.6!,f=-2.1) USER MOD Single : A 19 THR OG1 : rot -147:sc= 0.305 USER MOD Single : A 22 LYS NZ :NH3+ 154:sc= -0.212 (180deg=-1.19) USER MOD Single : A 25 LYS NZ :NH3+ -122:sc= 0.325 (180deg=-0.155) USER MOD Single : A 26 HIS : no HE2:sc= 0.554 K(o=0.55,f=-4.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 78:sc= 0.046 USER MOD Single : A 42 GLN : amide:sc= -2.25! K(o=-2.2!,f=0.41) USER MOD Single : A 47 THR OG1 : rot 29:sc= 0.258 USER MOD Single : A 48 TYR OH : rot 0:sc= -2.76 USER MOD Single : A 49 THR OG1 : rot 130:sc= -0.548 USER MOD Single : A 52 ASN : amide:sc= -1.42 K(o=-1.4,f=-7!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -9.81! C(o=-9.8!,f=-4.8!) USER MOD Single : A 55 LYS NZ :NH3+ -163:sc= 0.209 (180deg=-0.388) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 79:sc= -2.56! USER MOD Single : A 65 MET CE :methyl -164:sc=-0.00278 (180deg=-0.044) USER MOD Single : A 67 TYR OH : rot -141:sc= 1.09 USER MOD Single : A 70 ASN : amide:sc= -3.58! C(o=-3.6!,f=-6.7!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.11) USER MOD Single : A 80 MET CE :methyl -103:sc= -0.0965 (180deg=-1.01) USER MOD Single : A 86 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.182) USER MOD Single : A 87 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0829) USER MOD Single : A 88 LYS NZ :NH3+ -120:sc= 1.32 (180deg=-1.1) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 165:sc= -0.318 (180deg=-0.322) USER MOD Single : A 100 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0836) USER MOD Single : A 102 THR OG1 : rot -73:sc= 0.302 USER MOD Single : A 103 ASN : amide:sc= -2.67! K(o=-2.7!,f=0) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 74.517 8.294 -8.806 1.00 0.00 N ATOM 11 CA ASP A 2 74.041 7.583 -9.989 1.00 0.00 C ATOM 12 C ASP A 2 74.384 6.103 -9.903 1.00 0.00 C ATOM 13 O ASP A 2 75.405 5.659 -10.427 1.00 0.00 O ATOM 14 CB ASP A 2 74.669 8.178 -11.249 1.00 0.00 C ATOM 15 CG ASP A 2 74.122 9.580 -11.496 1.00 0.00 C ATOM 16 OD1 ASP A 2 72.960 9.801 -11.195 1.00 0.00 O ATOM 17 OD2 ASP A 2 74.872 10.411 -11.979 1.00 0.00 O1- ATOM 0 HA ASP A 2 72.957 7.691 -10.037 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.753 8.216 -11.141 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.456 7.540 -12.107 1.00 0.00 H new ATOM 22 N VAL A 3 73.517 5.344 -9.246 1.00 0.00 N ATOM 23 CA VAL A 3 73.725 3.910 -9.102 1.00 0.00 C ATOM 24 C VAL A 3 74.161 3.306 -10.433 1.00 0.00 C ATOM 25 O VAL A 3 74.747 2.224 -10.475 1.00 0.00 O ATOM 26 CB VAL A 3 72.426 3.249 -8.635 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.318 3.526 -9.652 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.632 1.739 -8.507 1.00 0.00 C ATOM 0 H VAL A 3 72.667 5.696 -8.806 1.00 0.00 H new ATOM 0 HA VAL A 3 74.507 3.736 -8.363 1.00 0.00 H new ATOM 0 HB VAL A 3 72.143 3.658 -7.665 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.393 3.055 -9.319 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.166 4.602 -9.741 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.604 3.119 -10.622 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.705 1.272 -8.174 1.00 0.00 H new ATOM 0 HG22 VAL A 3 72.918 1.328 -9.475 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.420 1.540 -7.780 1.00 0.00 H new ATOM 38 N GLU A 4 73.870 4.018 -11.519 1.00 0.00 N ATOM 39 CA GLU A 4 74.235 3.546 -12.850 1.00 0.00 C ATOM 40 C GLU A 4 75.741 3.649 -13.071 1.00 0.00 C ATOM 41 O GLU A 4 76.407 2.650 -13.346 1.00 0.00 O ATOM 42 CB GLU A 4 73.504 4.368 -13.914 1.00 0.00 C ATOM 43 CG GLU A 4 71.997 4.146 -13.787 1.00 0.00 C ATOM 44 CD GLU A 4 71.250 5.098 -14.716 1.00 0.00 C ATOM 45 OE1 GLU A 4 71.437 6.295 -14.579 1.00 0.00 O1- ATOM 46 OE2 GLU A 4 70.503 4.615 -15.551 1.00 0.00 O ATOM 0 H GLU A 4 73.387 4.916 -11.504 1.00 0.00 H new ATOM 0 HA GLU A 4 73.943 2.499 -12.932 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.737 5.426 -13.795 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.842 4.077 -14.909 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.751 3.114 -14.036 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.683 4.309 -12.756 1.00 0.00 H new ATOM 53 N LYS A 5 76.273 4.860 -12.948 1.00 0.00 N ATOM 54 CA LYS A 5 77.703 5.070 -13.139 1.00 0.00 C ATOM 55 C LYS A 5 78.476 4.549 -11.938 1.00 0.00 C ATOM 56 O LYS A 5 79.684 4.338 -12.009 1.00 0.00 O ATOM 57 CB LYS A 5 77.998 6.558 -13.347 1.00 0.00 C ATOM 58 CG LYS A 5 77.591 6.967 -14.766 1.00 0.00 C ATOM 59 CD LYS A 5 77.553 8.498 -14.877 1.00 0.00 C ATOM 60 CE LYS A 5 76.181 9.019 -14.438 1.00 0.00 C ATOM 61 NZ LYS A 5 76.120 10.494 -14.645 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.743 5.701 -12.720 1.00 0.00 H new ATOM 0 HA LYS A 5 78.019 4.522 -14.026 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.452 7.153 -12.615 1.00 0.00 H new ATOM 0 HB3 LYS A 5 79.059 6.755 -13.191 1.00 0.00 H new ATOM 0 HG2 LYS A 5 78.298 6.559 -15.488 1.00 0.00 H new ATOM 0 HG3 LYS A 5 76.613 6.552 -15.007 1.00 0.00 H new ATOM 0 HD2 LYS A 5 78.334 8.936 -14.255 1.00 0.00 H new ATOM 0 HD3 LYS A 5 77.755 8.802 -15.904 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.394 8.528 -15.010 1.00 0.00 H new ATOM 0 HE3 LYS A 5 76.008 8.781 -13.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 75.701 10.945 -13.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 77.081 10.864 -14.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 75.536 10.704 -15.480 1.00 0.00 H new ATOM 75 N GLY A 6 77.770 4.319 -10.841 1.00 0.00 N ATOM 76 CA GLY A 6 78.410 3.790 -9.648 1.00 0.00 C ATOM 77 C GLY A 6 78.627 2.299 -9.830 1.00 0.00 C ATOM 78 O GLY A 6 79.574 1.716 -9.298 1.00 0.00 O ATOM 0 H GLY A 6 76.768 4.488 -10.753 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.362 4.292 -9.476 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.789 3.977 -8.772 1.00 0.00 H new ATOM 82 N LYS A 7 77.738 1.694 -10.609 1.00 0.00 N ATOM 83 CA LYS A 7 77.816 0.273 -10.892 1.00 0.00 C ATOM 84 C LYS A 7 78.956 -0.015 -11.864 1.00 0.00 C ATOM 85 O LYS A 7 79.710 -0.968 -11.674 1.00 0.00 O ATOM 86 CB LYS A 7 76.490 -0.208 -11.491 1.00 0.00 C ATOM 87 CG LYS A 7 76.563 -1.712 -11.812 1.00 0.00 C ATOM 88 CD LYS A 7 76.313 -1.935 -13.309 1.00 0.00 C ATOM 89 CE LYS A 7 76.569 -3.402 -13.662 1.00 0.00 C ATOM 90 NZ LYS A 7 75.801 -3.759 -14.888 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.954 2.170 -11.055 1.00 0.00 H new ATOM 0 HA LYS A 7 78.008 -0.260 -9.961 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.677 -0.018 -10.791 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.268 0.354 -12.398 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.541 -2.106 -11.534 1.00 0.00 H new ATOM 0 HG3 LYS A 7 75.822 -2.255 -11.225 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.288 -1.664 -13.561 1.00 0.00 H new ATOM 0 HD3 LYS A 7 76.966 -1.290 -13.897 1.00 0.00 H new ATOM 0 HE2 LYS A 7 77.634 -3.567 -13.826 1.00 0.00 H new ATOM 0 HE3 LYS A 7 76.271 -4.044 -12.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 75.975 -4.756 -15.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 74.785 -3.616 -14.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 76.106 -3.154 -15.677 1.00 0.00 H new ATOM 104 N LYS A 8 79.084 0.806 -12.906 1.00 0.00 N ATOM 105 CA LYS A 8 80.147 0.592 -13.882 1.00 0.00 C ATOM 106 C LYS A 8 81.520 0.866 -13.259 1.00 0.00 C ATOM 107 O LYS A 8 82.510 0.217 -13.608 1.00 0.00 O ATOM 108 CB LYS A 8 79.920 1.467 -15.126 1.00 0.00 C ATOM 109 CG LYS A 8 80.372 2.913 -14.868 1.00 0.00 C ATOM 110 CD LYS A 8 81.787 3.130 -15.425 1.00 0.00 C ATOM 111 CE LYS A 8 81.709 3.436 -16.924 1.00 0.00 C ATOM 112 NZ LYS A 8 83.084 3.649 -17.458 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.480 1.606 -13.092 1.00 0.00 H new ATOM 0 HA LYS A 8 80.124 -0.452 -14.193 1.00 0.00 H new ATOM 0 HB2 LYS A 8 80.471 1.055 -15.971 1.00 0.00 H new ATOM 0 HB3 LYS A 8 78.864 1.454 -15.397 1.00 0.00 H new ATOM 0 HG2 LYS A 8 79.677 3.609 -15.338 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.358 3.122 -13.798 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.273 3.953 -14.901 1.00 0.00 H new ATOM 0 HD3 LYS A 8 82.395 2.241 -15.256 1.00 0.00 H new ATOM 0 HE2 LYS A 8 81.226 2.612 -17.450 1.00 0.00 H new ATOM 0 HE3 LYS A 8 81.099 4.323 -17.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 83.033 3.857 -18.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 83.529 4.448 -16.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 83.651 2.790 -17.308 1.00 0.00 H new ATOM 126 N ILE A 9 81.572 1.811 -12.322 1.00 0.00 N ATOM 127 CA ILE A 9 82.828 2.139 -11.656 1.00 0.00 C ATOM 128 C ILE A 9 83.196 1.039 -10.666 1.00 0.00 C ATOM 129 O ILE A 9 84.365 0.855 -10.333 1.00 0.00 O ATOM 130 CB ILE A 9 82.708 3.477 -10.916 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.596 4.618 -11.930 1.00 0.00 C ATOM 132 CG2 ILE A 9 83.951 3.703 -10.051 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.162 5.898 -11.212 1.00 0.00 C ATOM 0 H ILE A 9 80.768 2.357 -12.010 1.00 0.00 H new ATOM 0 HA ILE A 9 83.609 2.222 -12.412 1.00 0.00 H new ATOM 0 HB ILE A 9 81.819 3.455 -10.285 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.554 4.773 -12.426 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.874 4.360 -12.705 1.00 0.00 H new ATOM 0 HG21 ILE A 9 83.862 4.655 -9.527 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.040 2.896 -9.324 1.00 0.00 H new ATOM 0 HG23 ILE A 9 84.837 3.720 -10.685 1.00 0.00 H new ATOM 0 HD11 ILE A 9 82.082 6.711 -11.934 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.194 5.738 -10.737 1.00 0.00 H new ATOM 0 HD13 ILE A 9 82.900 6.158 -10.453 1.00 0.00 H new ATOM 145 N PHE A 10 82.187 0.317 -10.192 1.00 0.00 N ATOM 146 CA PHE A 10 82.417 -0.757 -9.232 1.00 0.00 C ATOM 147 C PHE A 10 82.902 -2.028 -9.932 1.00 0.00 C ATOM 148 O PHE A 10 83.917 -2.605 -9.546 1.00 0.00 O ATOM 149 CB PHE A 10 81.120 -1.056 -8.465 1.00 0.00 C ATOM 150 CG PHE A 10 81.139 -2.489 -7.985 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.672 -3.511 -8.819 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.644 -2.794 -6.718 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.713 -4.841 -8.387 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.680 -4.125 -6.283 1.00 0.00 C ATOM 155 CZ PHE A 10 81.216 -5.149 -7.118 1.00 0.00 C ATOM 0 H PHE A 10 81.211 0.453 -10.453 1.00 0.00 H new ATOM 0 HA PHE A 10 83.190 -0.431 -8.536 1.00 0.00 H new ATOM 0 HB2 PHE A 10 81.022 -0.378 -7.617 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.257 -0.888 -9.109 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.280 -3.273 -9.797 1.00 0.00 H new ATOM 0 HD2 PHE A 10 82.006 -2.005 -6.075 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.357 -5.630 -9.033 1.00 0.00 H new ATOM 0 HE2 PHE A 10 82.066 -4.362 -5.303 1.00 0.00 H new ATOM 0 HZ PHE A 10 81.246 -6.175 -6.783 1.00 0.00 H new ATOM 165 N VAL A 11 82.163 -2.464 -10.949 1.00 0.00 N ATOM 166 CA VAL A 11 82.519 -3.680 -11.679 1.00 0.00 C ATOM 167 C VAL A 11 83.941 -3.612 -12.203 1.00 0.00 C ATOM 168 O VAL A 11 84.615 -4.634 -12.331 1.00 0.00 O ATOM 169 CB VAL A 11 81.572 -3.892 -12.860 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.154 -4.135 -12.350 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.591 -2.652 -13.753 1.00 0.00 C ATOM 0 H VAL A 11 81.320 -1.998 -11.285 1.00 0.00 H new ATOM 0 HA VAL A 11 82.435 -4.513 -10.981 1.00 0.00 H new ATOM 0 HB VAL A 11 81.898 -4.760 -13.433 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.484 -4.285 -13.196 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.142 -5.021 -11.716 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.822 -3.272 -11.773 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.916 -2.800 -14.596 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.267 -1.784 -13.178 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.603 -2.485 -14.123 1.00 0.00 H new ATOM 181 N GLN A 12 84.386 -2.411 -12.537 1.00 0.00 N ATOM 182 CA GLN A 12 85.729 -2.247 -13.081 1.00 0.00 C ATOM 183 C GLN A 12 86.756 -1.904 -12.003 1.00 0.00 C ATOM 184 O GLN A 12 87.949 -2.149 -12.187 1.00 0.00 O ATOM 185 CB GLN A 12 85.721 -1.147 -14.141 1.00 0.00 C ATOM 186 CG GLN A 12 85.522 0.216 -13.477 1.00 0.00 C ATOM 187 CD GLN A 12 85.287 1.272 -14.549 1.00 0.00 C ATOM 188 OE1 GLN A 12 85.013 2.430 -14.235 1.00 0.00 O ATOM 189 NE2 GLN A 12 85.385 0.937 -15.806 1.00 0.00 N ATOM 0 H GLN A 12 83.850 -1.548 -12.444 1.00 0.00 H new ATOM 0 HA GLN A 12 86.020 -3.200 -13.522 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.660 -1.157 -14.695 1.00 0.00 H new ATOM 0 HB3 GLN A 12 84.924 -1.330 -14.861 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.673 0.180 -12.794 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.398 0.474 -12.882 1.00 0.00 H new ATOM 0 HE21 GLN A 12 85.612 -0.024 -16.061 1.00 0.00 H new ATOM 0 HE22 GLN A 12 85.234 1.636 -16.533 1.00 0.00 H new ATOM 198 N LYS A 13 86.311 -1.301 -10.901 1.00 0.00 N ATOM 199 CA LYS A 13 87.248 -0.900 -9.846 1.00 0.00 C ATOM 200 C LYS A 13 87.277 -1.844 -8.636 1.00 0.00 C ATOM 201 O LYS A 13 88.312 -2.445 -8.349 1.00 0.00 O ATOM 202 CB LYS A 13 86.915 0.518 -9.372 1.00 0.00 C ATOM 203 CG LYS A 13 88.142 1.132 -8.686 1.00 0.00 C ATOM 204 CD LYS A 13 87.926 2.638 -8.484 1.00 0.00 C ATOM 205 CE LYS A 13 88.440 3.399 -9.708 1.00 0.00 C ATOM 206 NZ LYS A 13 88.046 4.832 -9.603 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.332 -1.082 -10.715 1.00 0.00 H new ATOM 0 HA LYS A 13 88.240 -0.944 -10.295 1.00 0.00 H new ATOM 0 HB2 LYS A 13 86.613 1.134 -10.219 1.00 0.00 H new ATOM 0 HB3 LYS A 13 86.073 0.493 -8.680 1.00 0.00 H new ATOM 0 HG2 LYS A 13 88.313 0.648 -7.725 1.00 0.00 H new ATOM 0 HG3 LYS A 13 89.032 0.961 -9.292 1.00 0.00 H new ATOM 0 HD2 LYS A 13 86.867 2.847 -8.332 1.00 0.00 H new ATOM 0 HD3 LYS A 13 88.449 2.974 -7.588 1.00 0.00 H new ATOM 0 HE2 LYS A 13 89.525 3.313 -9.774 1.00 0.00 H new ATOM 0 HE3 LYS A 13 88.030 2.964 -10.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 88.572 5.389 -10.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 87.025 4.925 -9.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 88.265 5.183 -8.649 1.00 0.00 H new ATOM 220 N CYS A 14 86.173 -1.924 -7.892 1.00 0.00 N ATOM 221 CA CYS A 14 86.146 -2.747 -6.672 1.00 0.00 C ATOM 222 C CYS A 14 85.900 -4.233 -6.935 1.00 0.00 C ATOM 223 O CYS A 14 86.463 -5.081 -6.244 1.00 0.00 O ATOM 224 CB CYS A 14 85.080 -2.221 -5.704 1.00 0.00 C ATOM 225 SG CYS A 14 84.987 -0.409 -5.788 1.00 0.00 S ATOM 0 H CYS A 14 85.300 -1.441 -8.103 1.00 0.00 H new ATOM 0 HA CYS A 14 87.140 -2.664 -6.234 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.110 -2.653 -5.951 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.318 -2.533 -4.687 1.00 0.00 H new ATOM 0 HG CYS A 14 84.077 0.018 -4.963 1.00 0.00 H new ATOM 230 N ALA A 15 85.061 -4.558 -7.905 1.00 0.00 N ATOM 231 CA ALA A 15 84.773 -5.963 -8.185 1.00 0.00 C ATOM 232 C ALA A 15 86.066 -6.769 -8.265 1.00 0.00 C ATOM 233 O ALA A 15 86.076 -7.972 -8.002 1.00 0.00 O ATOM 234 CB ALA A 15 84.005 -6.090 -9.500 1.00 0.00 C ATOM 0 H ALA A 15 84.575 -3.889 -8.502 1.00 0.00 H new ATOM 0 HA ALA A 15 84.163 -6.357 -7.373 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.796 -7.141 -9.699 1.00 0.00 H new ATOM 0 HB2 ALA A 15 83.067 -5.540 -9.428 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.604 -5.679 -10.313 1.00 0.00 H new ATOM 240 N GLN A 16 87.152 -6.099 -8.628 1.00 0.00 N ATOM 241 CA GLN A 16 88.446 -6.760 -8.739 1.00 0.00 C ATOM 242 C GLN A 16 88.716 -7.647 -7.523 1.00 0.00 C ATOM 243 O GLN A 16 88.959 -8.845 -7.664 1.00 0.00 O ATOM 244 CB GLN A 16 89.556 -5.715 -8.864 1.00 0.00 C ATOM 245 CG GLN A 16 89.615 -5.197 -10.304 1.00 0.00 C ATOM 246 CD GLN A 16 90.712 -4.148 -10.436 1.00 0.00 C ATOM 247 OE1 GLN A 16 90.940 -3.365 -9.513 1.00 0.00 O ATOM 248 NE2 GLN A 16 91.410 -4.082 -11.538 1.00 0.00 N ATOM 0 H GLN A 16 87.163 -5.103 -8.850 1.00 0.00 H new ATOM 0 HA GLN A 16 88.430 -7.388 -9.630 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.371 -4.889 -8.177 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.514 -6.153 -8.585 1.00 0.00 H new ATOM 0 HG2 GLN A 16 89.806 -6.023 -10.989 1.00 0.00 H new ATOM 0 HG3 GLN A 16 88.653 -4.767 -10.584 1.00 0.00 H new ATOM 0 HE21 GLN A 16 91.220 -4.731 -12.302 1.00 0.00 H new ATOM 0 HE22 GLN A 16 92.145 -3.381 -11.635 1.00 0.00 H new ATOM 257 N CYS A 17 88.684 -7.050 -6.331 1.00 0.00 N ATOM 258 CA CYS A 17 88.941 -7.802 -5.102 1.00 0.00 C ATOM 259 C CYS A 17 87.830 -7.574 -4.069 1.00 0.00 C ATOM 260 O CYS A 17 88.104 -7.217 -2.923 1.00 0.00 O ATOM 261 CB CYS A 17 90.299 -7.386 -4.505 1.00 0.00 C ATOM 262 SG CYS A 17 91.334 -6.628 -5.791 1.00 0.00 S ATOM 0 H CYS A 17 88.485 -6.060 -6.190 1.00 0.00 H new ATOM 0 HA CYS A 17 88.962 -8.862 -5.353 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.146 -6.682 -3.687 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.804 -8.256 -4.086 1.00 0.00 H new ATOM 0 HG CYS A 17 92.476 -6.278 -5.278 1.00 0.00 H new ATOM 267 N HIS A 18 86.577 -7.791 -4.472 1.00 0.00 N ATOM 268 CA HIS A 18 85.453 -7.607 -3.549 1.00 0.00 C ATOM 269 C HIS A 18 84.219 -8.377 -4.015 1.00 0.00 C ATOM 270 O HIS A 18 84.265 -9.110 -5.003 1.00 0.00 O ATOM 271 CB HIS A 18 85.109 -6.119 -3.420 1.00 0.00 C ATOM 272 CG HIS A 18 86.047 -5.468 -2.441 1.00 0.00 C ATOM 273 ND1 HIS A 18 85.836 -5.506 -1.072 1.00 0.00 N ATOM 274 CD2 HIS A 18 87.203 -4.755 -2.622 1.00 0.00 C ATOM 275 CE1 HIS A 18 86.845 -4.833 -0.489 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.707 -4.354 -1.389 1.00 0.00 N ATOM 0 H HIS A 18 86.316 -8.089 -5.412 1.00 0.00 H new ATOM 0 HA HIS A 18 85.756 -7.997 -2.577 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.186 -5.632 -4.392 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.078 -6.001 -3.085 1.00 0.00 H new ATOM 0 HD2 HIS A 18 87.655 -4.537 -3.578 1.00 0.00 H new ATOM 0 HE1 HIS A 18 86.945 -4.697 0.578 1.00 0.00 H new ATOM 0 HE2 HIS A 18 88.552 -3.811 -1.211 1.00 0.00 H new ATOM 284 N THR A 19 83.117 -8.204 -3.284 1.00 0.00 N ATOM 285 CA THR A 19 81.866 -8.884 -3.606 1.00 0.00 C ATOM 286 C THR A 19 80.676 -7.942 -3.406 1.00 0.00 C ATOM 287 O THR A 19 79.729 -7.941 -4.194 1.00 0.00 O ATOM 288 CB THR A 19 81.715 -10.114 -2.706 1.00 0.00 C ATOM 289 OG1 THR A 19 83.005 -10.605 -2.366 1.00 0.00 O ATOM 290 CG2 THR A 19 80.937 -11.202 -3.443 1.00 0.00 C ATOM 0 H THR A 19 83.067 -7.598 -2.465 1.00 0.00 H new ATOM 0 HA THR A 19 81.887 -9.193 -4.651 1.00 0.00 H new ATOM 0 HB THR A 19 81.174 -9.837 -1.801 1.00 0.00 H new ATOM 0 HG1 THR A 19 82.969 -11.580 -2.270 1.00 0.00 H new ATOM 0 HG21 THR A 19 80.832 -12.075 -2.798 1.00 0.00 H new ATOM 0 HG22 THR A 19 79.949 -10.826 -3.708 1.00 0.00 H new ATOM 0 HG23 THR A 19 81.474 -11.483 -4.349 1.00 0.00 H new ATOM 298 N VAL A 20 80.741 -7.143 -2.345 1.00 0.00 N ATOM 299 CA VAL A 20 79.684 -6.182 -2.023 1.00 0.00 C ATOM 300 C VAL A 20 78.292 -6.781 -2.200 1.00 0.00 C ATOM 301 O VAL A 20 77.356 -6.079 -2.582 1.00 0.00 O ATOM 302 CB VAL A 20 79.817 -4.925 -2.888 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.223 -4.345 -2.736 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.572 -5.269 -4.356 1.00 0.00 C ATOM 0 H VAL A 20 81.520 -7.141 -1.687 1.00 0.00 H new ATOM 0 HA VAL A 20 79.805 -5.916 -0.973 1.00 0.00 H new ATOM 0 HB VAL A 20 79.078 -4.193 -2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.316 -3.451 -3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.399 -4.086 -1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 20 81.958 -5.084 -3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.669 -4.368 -4.962 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.304 -6.007 -4.684 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.568 -5.677 -4.471 1.00 0.00 H new ATOM 314 N GLU A 21 78.149 -8.069 -1.909 1.00 0.00 N ATOM 315 CA GLU A 21 76.849 -8.727 -2.032 1.00 0.00 C ATOM 316 C GLU A 21 76.550 -9.542 -0.775 1.00 0.00 C ATOM 317 O GLU A 21 77.271 -10.480 -0.441 1.00 0.00 O ATOM 318 CB GLU A 21 76.820 -9.623 -3.277 1.00 0.00 C ATOM 319 CG GLU A 21 77.510 -10.956 -2.990 1.00 0.00 C ATOM 320 CD GLU A 21 77.799 -11.685 -4.297 1.00 0.00 C ATOM 321 OE1 GLU A 21 77.438 -11.161 -5.337 1.00 0.00 O1- ATOM 322 OE2 GLU A 21 78.380 -12.757 -4.239 1.00 0.00 O ATOM 0 H GLU A 21 78.906 -8.674 -1.590 1.00 0.00 H new ATOM 0 HA GLU A 21 76.078 -7.964 -2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 21 75.789 -9.799 -3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 21 77.317 -9.120 -4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 21 78.439 -10.784 -2.447 1.00 0.00 H new ATOM 0 HG3 GLU A 21 76.877 -11.573 -2.352 1.00 0.00 H new ATOM 329 N LYS A 22 75.487 -9.161 -0.074 1.00 0.00 N ATOM 330 CA LYS A 22 75.102 -9.848 1.153 1.00 0.00 C ATOM 331 C LYS A 22 74.937 -11.345 0.909 1.00 0.00 C ATOM 332 O LYS A 22 74.325 -11.762 -0.074 1.00 0.00 O ATOM 333 CB LYS A 22 73.788 -9.262 1.683 1.00 0.00 C ATOM 334 CG LYS A 22 73.495 -9.805 3.094 1.00 0.00 C ATOM 335 CD LYS A 22 72.461 -10.934 3.020 1.00 0.00 C ATOM 336 CE LYS A 22 72.009 -11.302 4.436 1.00 0.00 C ATOM 337 NZ LYS A 22 71.447 -10.095 5.106 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.879 -8.384 -0.333 1.00 0.00 H new ATOM 0 HA LYS A 22 75.891 -9.704 1.891 1.00 0.00 H new ATOM 0 HB2 LYS A 22 73.851 -8.174 1.710 1.00 0.00 H new ATOM 0 HB3 LYS A 22 72.970 -9.517 1.010 1.00 0.00 H new ATOM 0 HG2 LYS A 22 74.415 -10.173 3.549 1.00 0.00 H new ATOM 0 HG3 LYS A 22 73.124 -9.002 3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 22 71.605 -10.620 2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 22 72.892 -11.805 2.526 1.00 0.00 H new ATOM 0 HE2 LYS A 22 71.259 -12.092 4.396 1.00 0.00 H new ATOM 0 HE3 LYS A 22 72.851 -11.691 5.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 70.767 -10.388 5.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 72.217 -9.553 5.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 70.964 -9.500 4.402 1.00 0.00 H new ATOM 351 N GLY A 23 75.487 -12.149 1.814 1.00 0.00 N ATOM 352 CA GLY A 23 75.397 -13.600 1.692 1.00 0.00 C ATOM 353 C GLY A 23 76.220 -14.102 0.511 1.00 0.00 C ATOM 354 O GLY A 23 75.907 -15.135 -0.081 1.00 0.00 O ATOM 0 H GLY A 23 75.997 -11.823 2.635 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.750 -14.068 2.611 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.355 -13.894 1.565 1.00 0.00 H new ATOM 358 N GLY A 24 77.272 -13.362 0.170 1.00 0.00 N ATOM 359 CA GLY A 24 78.134 -13.741 -0.946 1.00 0.00 C ATOM 360 C GLY A 24 79.337 -14.541 -0.465 1.00 0.00 C ATOM 361 O GLY A 24 79.215 -15.411 0.397 1.00 0.00 O ATOM 0 H GLY A 24 77.547 -12.503 0.646 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.565 -14.331 -1.664 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.474 -12.846 -1.467 1.00 0.00 H new ATOM 365 N LYS A 25 80.501 -14.240 -1.034 1.00 0.00 N ATOM 366 CA LYS A 25 81.729 -14.936 -0.666 1.00 0.00 C ATOM 367 C LYS A 25 82.940 -14.031 -0.871 1.00 0.00 C ATOM 368 O LYS A 25 83.243 -13.630 -1.995 1.00 0.00 O ATOM 369 CB LYS A 25 81.880 -16.201 -1.516 1.00 0.00 C ATOM 370 CG LYS A 25 82.079 -15.813 -2.990 1.00 0.00 C ATOM 371 CD LYS A 25 81.420 -16.857 -3.900 1.00 0.00 C ATOM 372 CE LYS A 25 79.936 -16.523 -4.075 1.00 0.00 C ATOM 373 NZ LYS A 25 79.793 -15.391 -5.034 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.619 -13.522 -1.749 1.00 0.00 H new ATOM 0 HA LYS A 25 81.672 -15.209 0.388 1.00 0.00 H new ATOM 0 HB2 LYS A 25 82.730 -16.787 -1.166 1.00 0.00 H new ATOM 0 HB3 LYS A 25 80.995 -16.829 -1.411 1.00 0.00 H new ATOM 0 HG2 LYS A 25 81.647 -14.830 -3.178 1.00 0.00 H new ATOM 0 HG3 LYS A 25 83.143 -15.742 -3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 25 81.916 -16.873 -4.870 1.00 0.00 H new ATOM 0 HD3 LYS A 25 81.531 -17.852 -3.469 1.00 0.00 H new ATOM 0 HE2 LYS A 25 79.396 -17.396 -4.443 1.00 0.00 H new ATOM 0 HE3 LYS A 25 79.496 -16.258 -3.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 79.291 -14.606 -4.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 80.735 -15.070 -5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 79.253 -15.706 -5.865 1.00 0.00 H new ATOM 387 N HIS A 26 83.628 -13.713 0.220 1.00 0.00 N ATOM 388 CA HIS A 26 84.804 -12.854 0.145 1.00 0.00 C ATOM 389 C HIS A 26 85.810 -13.408 -0.860 1.00 0.00 C ATOM 390 O HIS A 26 86.250 -14.552 -0.748 1.00 0.00 O ATOM 391 CB HIS A 26 85.460 -12.742 1.525 1.00 0.00 C ATOM 392 CG HIS A 26 85.296 -14.040 2.267 1.00 0.00 C ATOM 393 ND1 HIS A 26 85.636 -15.260 1.706 1.00 0.00 N ATOM 394 CD2 HIS A 26 84.827 -14.323 3.526 1.00 0.00 C ATOM 395 CE1 HIS A 26 85.369 -16.214 2.618 1.00 0.00 C ATOM 396 NE2 HIS A 26 84.873 -15.696 3.745 1.00 0.00 N ATOM 0 H HIS A 26 83.394 -14.034 1.160 1.00 0.00 H new ATOM 0 HA HIS A 26 84.488 -11.865 -0.186 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.518 -12.504 1.418 1.00 0.00 H new ATOM 0 HB3 HIS A 26 85.006 -11.928 2.090 1.00 0.00 H new ATOM 0 HD1 HIS A 26 86.019 -15.409 0.772 1.00 0.00 H new ATOM 0 HD2 HIS A 26 84.476 -13.591 4.238 1.00 0.00 H new ATOM 0 HE1 HIS A 26 85.536 -17.269 2.458 1.00 0.00 H new ATOM 405 N LYS A 27 86.167 -12.583 -1.839 1.00 0.00 N ATOM 406 CA LYS A 27 87.122 -12.984 -2.868 1.00 0.00 C ATOM 407 C LYS A 27 88.306 -12.021 -2.891 1.00 0.00 C ATOM 408 O LYS A 27 88.149 -10.839 -3.196 1.00 0.00 O ATOM 409 CB LYS A 27 86.438 -12.994 -4.238 1.00 0.00 C ATOM 410 CG LYS A 27 87.482 -13.191 -5.340 1.00 0.00 C ATOM 411 CD LYS A 27 86.785 -13.599 -6.642 1.00 0.00 C ATOM 412 CE LYS A 27 85.653 -12.614 -6.952 1.00 0.00 C ATOM 413 NZ LYS A 27 85.278 -12.726 -8.390 1.00 0.00 N1+ ATOM 0 H LYS A 27 85.810 -11.633 -1.942 1.00 0.00 H new ATOM 0 HA LYS A 27 87.484 -13.986 -2.640 1.00 0.00 H new ATOM 0 HB2 LYS A 27 85.698 -13.793 -4.279 1.00 0.00 H new ATOM 0 HB3 LYS A 27 85.904 -12.057 -4.394 1.00 0.00 H new ATOM 0 HG2 LYS A 27 88.045 -12.270 -5.490 1.00 0.00 H new ATOM 0 HG3 LYS A 27 88.198 -13.957 -5.044 1.00 0.00 H new ATOM 0 HD2 LYS A 27 87.503 -13.612 -7.462 1.00 0.00 H new ATOM 0 HD3 LYS A 27 86.386 -14.609 -6.551 1.00 0.00 H new ATOM 0 HE2 LYS A 27 84.789 -12.826 -6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 27 85.970 -11.596 -6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 84.510 -12.058 -8.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 86.103 -12.503 -8.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 84.959 -13.695 -8.591 1.00 0.00 H new ATOM 427 N THR A 28 89.487 -12.533 -2.559 1.00 0.00 N ATOM 428 CA THR A 28 90.687 -11.704 -2.540 1.00 0.00 C ATOM 429 C THR A 28 90.429 -10.423 -1.752 1.00 0.00 C ATOM 430 O THR A 28 91.050 -9.390 -2.000 1.00 0.00 O ATOM 431 CB THR A 28 91.103 -11.358 -3.973 1.00 0.00 C ATOM 432 OG1 THR A 28 90.903 -12.491 -4.806 1.00 0.00 O ATOM 433 CG2 THR A 28 92.581 -10.957 -4.000 1.00 0.00 C ATOM 0 H THR A 28 89.638 -13.508 -2.302 1.00 0.00 H new ATOM 0 HA THR A 28 91.491 -12.259 -2.057 1.00 0.00 H new ATOM 0 HB THR A 28 90.499 -10.526 -4.335 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.167 -12.273 -5.724 1.00 0.00 H new ATOM 0 HG21 THR A 28 92.873 -10.712 -5.021 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.734 -10.088 -3.360 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.190 -11.786 -3.638 1.00 0.00 H new ATOM 441 N GLY A 29 89.508 -10.504 -0.799 1.00 0.00 N ATOM 442 CA GLY A 29 89.168 -9.352 0.028 1.00 0.00 C ATOM 443 C GLY A 29 87.870 -9.600 0.790 1.00 0.00 C ATOM 444 O GLY A 29 87.086 -10.477 0.429 1.00 0.00 O ATOM 0 H GLY A 29 88.985 -11.352 -0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 29 89.976 -9.152 0.732 1.00 0.00 H new ATOM 0 HA3 GLY A 29 89.064 -8.466 -0.599 1.00 0.00 H new ATOM 448 N PRO A 30 87.631 -8.847 1.831 1.00 0.00 N ATOM 449 CA PRO A 30 86.398 -8.988 2.661 1.00 0.00 C ATOM 450 C PRO A 30 85.158 -8.476 1.931 1.00 0.00 C ATOM 451 O PRO A 30 85.256 -7.924 0.835 1.00 0.00 O ATOM 452 CB PRO A 30 86.699 -8.141 3.900 1.00 0.00 C ATOM 453 CG PRO A 30 87.684 -7.116 3.441 1.00 0.00 C ATOM 454 CD PRO A 30 88.508 -7.775 2.333 1.00 0.00 C ATOM 0 HA PRO A 30 86.175 -10.028 2.899 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.794 -7.673 4.287 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.111 -8.751 4.704 1.00 0.00 H new ATOM 0 HG2 PRO A 30 87.175 -6.227 3.070 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.324 -6.797 4.263 1.00 0.00 H new ATOM 0 HD2 PRO A 30 88.761 -7.064 1.546 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.447 -8.174 2.717 1.00 0.00 H new ATOM 462 N ASN A 31 83.994 -8.661 2.548 1.00 0.00 N ATOM 463 CA ASN A 31 82.740 -8.212 1.949 1.00 0.00 C ATOM 464 C ASN A 31 82.260 -6.932 2.627 1.00 0.00 C ATOM 465 O ASN A 31 82.202 -6.852 3.853 1.00 0.00 O ATOM 466 CB ASN A 31 81.675 -9.307 2.085 1.00 0.00 C ATOM 467 CG ASN A 31 80.715 -9.257 0.900 1.00 0.00 C ATOM 468 OD1 ASN A 31 80.346 -8.175 0.443 1.00 0.00 O ATOM 469 ND2 ASN A 31 80.286 -10.371 0.373 1.00 0.00 N ATOM 0 H ASN A 31 83.893 -9.115 3.456 1.00 0.00 H new ATOM 0 HA ASN A 31 82.909 -8.007 0.892 1.00 0.00 H new ATOM 0 HB2 ASN A 31 82.153 -10.285 2.134 1.00 0.00 H new ATOM 0 HB3 ASN A 31 81.123 -9.174 3.016 1.00 0.00 H new ATOM 0 HD21 ASN A 31 79.644 -10.346 -0.419 1.00 0.00 H new ATOM 0 HD22 ASN A 31 80.593 -11.266 0.753 1.00 0.00 H new ATOM 476 N LEU A 32 81.922 -5.937 1.818 1.00 0.00 N ATOM 477 CA LEU A 32 81.454 -4.655 2.340 1.00 0.00 C ATOM 478 C LEU A 32 80.004 -4.746 2.809 1.00 0.00 C ATOM 479 O LEU A 32 79.256 -3.772 2.729 1.00 0.00 O ATOM 480 CB LEU A 32 81.575 -3.575 1.260 1.00 0.00 C ATOM 481 CG LEU A 32 82.947 -3.653 0.578 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.192 -2.371 -0.225 1.00 0.00 C ATOM 483 CD2 LEU A 32 84.047 -3.799 1.632 1.00 0.00 C ATOM 0 H LEU A 32 81.962 -5.990 0.800 1.00 0.00 H new ATOM 0 HA LEU A 32 82.077 -4.392 3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.786 -3.702 0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.438 -2.589 1.705 1.00 0.00 H new ATOM 0 HG LEU A 32 82.964 -4.517 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 32 84.167 -2.426 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.416 -2.262 -0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 32 83.168 -1.512 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 32 85.018 -3.854 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 32 84.027 -2.938 2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.881 -4.709 2.208 1.00 0.00 H new ATOM 495 N HIS A 33 79.614 -5.917 3.303 1.00 0.00 N ATOM 496 CA HIS A 33 78.250 -6.115 3.787 1.00 0.00 C ATOM 497 C HIS A 33 77.852 -4.995 4.746 1.00 0.00 C ATOM 498 O HIS A 33 78.530 -4.752 5.743 1.00 0.00 O ATOM 499 CB HIS A 33 78.141 -7.459 4.513 1.00 0.00 C ATOM 500 CG HIS A 33 78.184 -8.585 3.517 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.181 -9.914 3.910 1.00 0.00 N ATOM 502 CD2 HIS A 33 78.230 -8.602 2.144 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.225 -10.667 2.798 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.255 -9.917 1.693 1.00 0.00 N ATOM 0 H HIS A 33 80.216 -6.737 3.379 1.00 0.00 H new ATOM 0 HA HIS A 33 77.579 -6.105 2.928 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.957 -7.563 5.228 1.00 0.00 H new ATOM 0 HB3 HIS A 33 77.212 -7.500 5.082 1.00 0.00 H new ATOM 0 HD2 HIS A 33 78.245 -7.727 1.511 1.00 0.00 H new ATOM 0 HE1 HIS A 33 78.235 -11.747 2.798 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.289 -10.240 0.726 1.00 0.00 H new ATOM 513 N GLY A 34 76.744 -4.323 4.440 1.00 0.00 N ATOM 514 CA GLY A 34 76.259 -3.235 5.286 1.00 0.00 C ATOM 515 C GLY A 34 77.416 -2.420 5.859 1.00 0.00 C ATOM 516 O GLY A 34 77.387 -2.016 7.021 1.00 0.00 O ATOM 0 H GLY A 34 76.169 -4.511 3.619 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.605 -2.584 4.706 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.661 -3.644 6.100 1.00 0.00 H new ATOM 520 N LEU A 35 78.430 -2.183 5.036 1.00 0.00 N ATOM 521 CA LEU A 35 79.592 -1.414 5.469 1.00 0.00 C ATOM 522 C LEU A 35 79.156 -0.163 6.226 1.00 0.00 C ATOM 523 O LEU A 35 79.557 0.055 7.369 1.00 0.00 O ATOM 524 CB LEU A 35 80.426 -1.013 4.248 1.00 0.00 C ATOM 525 CG LEU A 35 81.720 -0.315 4.693 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.793 -1.358 5.005 1.00 0.00 C ATOM 527 CD2 LEU A 35 82.218 0.611 3.578 1.00 0.00 C ATOM 0 H LEU A 35 78.473 -2.510 4.071 1.00 0.00 H new ATOM 0 HA LEU A 35 80.192 -2.033 6.136 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.666 -1.897 3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.848 -0.348 3.607 1.00 0.00 H new ATOM 0 HG LEU A 35 81.517 0.272 5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.708 -0.856 5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.444 -2.011 5.805 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.994 -1.952 4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 35 83.136 1.104 3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 35 82.414 0.026 2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 35 81.458 1.362 3.363 1.00 0.00 H new ATOM 539 N PHE A 36 78.339 0.653 5.577 1.00 0.00 N ATOM 540 CA PHE A 36 77.851 1.885 6.187 1.00 0.00 C ATOM 541 C PHE A 36 77.307 1.614 7.586 1.00 0.00 C ATOM 542 O PHE A 36 76.135 1.279 7.757 1.00 0.00 O ATOM 543 CB PHE A 36 76.760 2.501 5.309 1.00 0.00 C ATOM 544 CG PHE A 36 77.232 2.510 3.874 1.00 0.00 C ATOM 545 CD1 PHE A 36 77.051 1.376 3.071 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.863 3.644 3.349 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.500 1.378 1.746 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.312 3.646 2.026 1.00 0.00 C ATOM 549 CZ PHE A 36 78.131 2.513 1.223 1.00 0.00 C ATOM 0 H PHE A 36 77.999 0.487 4.630 1.00 0.00 H new ATOM 0 HA PHE A 36 78.682 2.585 6.272 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.837 1.929 5.398 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.539 3.516 5.639 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.565 0.500 3.475 1.00 0.00 H new ATOM 0 HD2 PHE A 36 78.003 4.518 3.967 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.360 0.504 1.127 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.799 4.522 1.622 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.478 2.515 0.200 1.00 0.00 H new ATOM 559 N GLY A 37 78.174 1.760 8.586 1.00 0.00 N ATOM 560 CA GLY A 37 77.787 1.528 9.975 1.00 0.00 C ATOM 561 C GLY A 37 78.822 0.658 10.680 1.00 0.00 C ATOM 562 O GLY A 37 78.962 0.704 11.903 1.00 0.00 O ATOM 0 H GLY A 37 79.147 2.037 8.460 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.689 2.481 10.495 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.811 1.044 10.011 1.00 0.00 H new ATOM 566 N ARG A 38 79.547 -0.130 9.894 1.00 0.00 N ATOM 567 CA ARG A 38 80.575 -1.009 10.436 1.00 0.00 C ATOM 568 C ARG A 38 81.813 -0.205 10.817 1.00 0.00 C ATOM 569 O ARG A 38 82.080 0.849 10.241 1.00 0.00 O ATOM 570 CB ARG A 38 80.958 -2.061 9.388 1.00 0.00 C ATOM 571 CG ARG A 38 79.912 -3.185 9.363 1.00 0.00 C ATOM 572 CD ARG A 38 80.265 -4.270 10.391 1.00 0.00 C ATOM 573 NE ARG A 38 79.808 -5.573 9.919 1.00 0.00 N ATOM 574 CZ ARG A 38 80.351 -6.146 8.849 1.00 0.00 C ATOM 575 NH1 ARG A 38 81.316 -5.545 8.205 1.00 0.00 N ATOM 576 NH2 ARG A 38 79.920 -7.309 8.443 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.442 -0.178 8.881 1.00 0.00 H new ATOM 0 HA ARG A 38 80.181 -1.500 11.326 1.00 0.00 H new ATOM 0 HB2 ARG A 38 81.028 -1.597 8.404 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.941 -2.473 9.617 1.00 0.00 H new ATOM 0 HG2 ARG A 38 78.925 -2.777 9.581 1.00 0.00 H new ATOM 0 HG3 ARG A 38 79.863 -3.622 8.366 1.00 0.00 H new ATOM 0 HD2 ARG A 38 81.342 -4.291 10.554 1.00 0.00 H new ATOM 0 HD3 ARG A 38 79.801 -4.038 11.350 1.00 0.00 H new ATOM 0 HE ARG A 38 79.059 -6.053 10.419 1.00 0.00 H new ATOM 0 HH11 ARG A 38 81.653 -4.636 8.523 1.00 0.00 H new ATOM 0 HH12 ARG A 38 81.733 -5.985 7.384 1.00 0.00 H new ATOM 0 HH21 ARG A 38 79.167 -7.778 8.946 1.00 0.00 H new ATOM 0 HH22 ARG A 38 80.336 -7.749 7.622 1.00 0.00 H new ATOM 590 N LYS A 39 82.574 -0.712 11.783 1.00 0.00 N ATOM 591 CA LYS A 39 83.789 -0.033 12.217 1.00 0.00 C ATOM 592 C LYS A 39 84.991 -0.575 11.451 1.00 0.00 C ATOM 593 O LYS A 39 85.115 -1.780 11.240 1.00 0.00 O ATOM 594 CB LYS A 39 83.995 -0.222 13.726 1.00 0.00 C ATOM 595 CG LYS A 39 85.293 0.480 14.179 1.00 0.00 C ATOM 596 CD LYS A 39 84.961 1.655 15.111 1.00 0.00 C ATOM 597 CE LYS A 39 84.383 1.128 16.433 1.00 0.00 C ATOM 598 NZ LYS A 39 83.135 1.874 16.757 1.00 0.00 N1+ ATOM 0 H LYS A 39 82.373 -1.582 12.275 1.00 0.00 H new ATOM 0 HA LYS A 39 83.688 1.032 12.010 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.143 0.186 14.271 1.00 0.00 H new ATOM 0 HB3 LYS A 39 84.046 -1.285 13.963 1.00 0.00 H new ATOM 0 HG2 LYS A 39 85.939 -0.231 14.694 1.00 0.00 H new ATOM 0 HG3 LYS A 39 85.843 0.840 13.310 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.859 2.241 15.305 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.244 2.320 14.630 1.00 0.00 H new ATOM 0 HE2 LYS A 39 84.172 0.062 16.352 1.00 0.00 H new ATOM 0 HE3 LYS A 39 85.111 1.249 17.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 82.741 1.519 17.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 83.351 2.887 16.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 82.441 1.737 15.995 1.00 0.00 H new ATOM 612 N THR A 40 85.868 0.329 11.029 1.00 0.00 N ATOM 613 CA THR A 40 87.057 -0.059 10.277 1.00 0.00 C ATOM 614 C THR A 40 87.642 -1.364 10.812 1.00 0.00 C ATOM 615 O THR A 40 87.835 -1.524 12.018 1.00 0.00 O ATOM 616 CB THR A 40 88.110 1.047 10.369 1.00 0.00 C ATOM 617 OG1 THR A 40 88.413 1.298 11.733 1.00 0.00 O ATOM 618 CG2 THR A 40 87.572 2.325 9.720 1.00 0.00 C ATOM 0 H THR A 40 85.779 1.332 11.194 1.00 0.00 H new ATOM 0 HA THR A 40 86.769 -0.210 9.237 1.00 0.00 H new ATOM 0 HB THR A 40 89.014 0.731 9.848 1.00 0.00 H new ATOM 0 HG1 THR A 40 89.005 0.594 12.071 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.324 3.111 9.787 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.341 2.132 8.672 1.00 0.00 H new ATOM 0 HG23 THR A 40 86.667 2.643 10.238 1.00 0.00 H new ATOM 626 N GLY A 41 87.931 -2.290 9.902 1.00 0.00 N ATOM 627 CA GLY A 41 88.506 -3.575 10.280 1.00 0.00 C ATOM 628 C GLY A 41 87.671 -4.276 11.346 1.00 0.00 C ATOM 629 O GLY A 41 88.196 -4.712 12.370 1.00 0.00 O ATOM 0 H GLY A 41 87.777 -2.174 8.900 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.581 -4.213 9.399 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.519 -3.425 10.652 1.00 0.00 H new ATOM 633 N GLN A 42 86.368 -4.383 11.101 1.00 0.00 N ATOM 634 CA GLN A 42 85.468 -5.038 12.050 1.00 0.00 C ATOM 635 C GLN A 42 84.830 -6.276 11.426 1.00 0.00 C ATOM 636 O GLN A 42 84.328 -7.147 12.135 1.00 0.00 O ATOM 637 CB GLN A 42 84.369 -4.066 12.486 1.00 0.00 C ATOM 638 CG GLN A 42 83.384 -4.788 13.408 1.00 0.00 C ATOM 639 CD GLN A 42 82.456 -3.775 14.073 1.00 0.00 C ATOM 640 OE1 GLN A 42 82.522 -3.575 15.285 1.00 0.00 O ATOM 641 NE2 GLN A 42 81.590 -3.123 13.347 1.00 0.00 N ATOM 0 H GLN A 42 85.913 -4.028 10.260 1.00 0.00 H new ATOM 0 HA GLN A 42 86.053 -5.343 12.918 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.808 -3.212 13.003 1.00 0.00 H new ATOM 0 HB3 GLN A 42 83.847 -3.676 11.613 1.00 0.00 H new ATOM 0 HG2 GLN A 42 82.800 -5.509 12.837 1.00 0.00 H new ATOM 0 HG3 GLN A 42 83.928 -5.349 14.168 1.00 0.00 H new ATOM 0 HE21 GLN A 42 81.538 -3.291 12.342 1.00 0.00 H new ATOM 0 HE22 GLN A 42 80.965 -2.445 13.784 1.00 0.00 H new ATOM 701 N THR A 47 91.825 -11.355 7.405 1.00 0.00 N ATOM 702 CA THR A 47 92.800 -10.911 8.394 1.00 0.00 C ATOM 703 C THR A 47 93.059 -9.415 8.254 1.00 0.00 C ATOM 704 O THR A 47 94.009 -8.997 7.591 1.00 0.00 O ATOM 705 CB THR A 47 94.113 -11.676 8.213 1.00 0.00 C ATOM 706 OG1 THR A 47 93.844 -13.072 8.179 1.00 0.00 O ATOM 707 CG2 THR A 47 95.053 -11.362 9.377 1.00 0.00 C ATOM 0 HA THR A 47 92.398 -11.109 9.388 1.00 0.00 H new ATOM 0 HB THR A 47 94.585 -11.374 7.278 1.00 0.00 H new ATOM 0 HG1 THR A 47 92.943 -13.223 7.823 1.00 0.00 H new ATOM 0 HG21 THR A 47 95.988 -11.907 9.247 1.00 0.00 H new ATOM 0 HG22 THR A 47 95.258 -10.292 9.401 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.585 -11.663 10.314 1.00 0.00 H new ATOM 715 N TYR A 48 92.206 -8.612 8.881 1.00 0.00 N ATOM 716 CA TYR A 48 92.346 -7.163 8.819 1.00 0.00 C ATOM 717 C TYR A 48 93.639 -6.715 9.492 1.00 0.00 C ATOM 718 O TYR A 48 94.140 -7.373 10.403 1.00 0.00 O ATOM 719 CB TYR A 48 91.149 -6.496 9.502 1.00 0.00 C ATOM 720 CG TYR A 48 89.985 -6.443 8.542 1.00 0.00 C ATOM 721 CD1 TYR A 48 89.876 -5.377 7.644 1.00 0.00 C ATOM 722 CD2 TYR A 48 89.018 -7.453 8.553 1.00 0.00 C ATOM 723 CE1 TYR A 48 88.798 -5.319 6.755 1.00 0.00 C ATOM 724 CE2 TYR A 48 87.938 -7.397 7.665 1.00 0.00 C ATOM 725 CZ TYR A 48 87.827 -6.329 6.766 1.00 0.00 C ATOM 726 OH TYR A 48 86.761 -6.267 5.893 1.00 0.00 O ATOM 0 H TYR A 48 91.414 -8.939 9.435 1.00 0.00 H new ATOM 0 HA TYR A 48 92.380 -6.864 7.771 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.871 -7.053 10.397 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.415 -5.489 9.823 1.00 0.00 H new ATOM 0 HD1 TYR A 48 90.624 -4.598 7.637 1.00 0.00 H new ATOM 0 HD2 TYR A 48 89.105 -8.276 9.247 1.00 0.00 H new ATOM 0 HE1 TYR A 48 88.714 -4.496 6.060 1.00 0.00 H new ATOM 0 HE2 TYR A 48 87.191 -8.177 7.673 1.00 0.00 H new ATOM 0 HH TYR A 48 86.836 -5.460 5.342 1.00 0.00 H new ATOM 736 N THR A 49 94.173 -5.586 9.036 1.00 0.00 N ATOM 737 CA THR A 49 95.407 -5.049 9.599 1.00 0.00 C ATOM 738 C THR A 49 95.121 -4.314 10.903 1.00 0.00 C ATOM 739 O THR A 49 94.001 -3.864 11.134 1.00 0.00 O ATOM 740 CB THR A 49 96.061 -4.088 8.602 1.00 0.00 C ATOM 741 OG1 THR A 49 95.189 -2.992 8.365 1.00 0.00 O ATOM 742 CG2 THR A 49 96.337 -4.819 7.287 1.00 0.00 C ATOM 0 H THR A 49 93.773 -5.028 8.282 1.00 0.00 H new ATOM 0 HA THR A 49 96.085 -5.878 9.802 1.00 0.00 H new ATOM 0 HB THR A 49 97.002 -3.723 9.013 1.00 0.00 H new ATOM 0 HG1 THR A 49 95.682 -2.152 8.473 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.802 -4.132 6.580 1.00 0.00 H new ATOM 0 HG22 THR A 49 97.007 -5.659 7.471 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.399 -5.187 6.872 1.00 0.00 H new ATOM 750 N ASP A 50 96.139 -4.195 11.749 1.00 0.00 N ATOM 751 CA ASP A 50 95.980 -3.511 13.028 1.00 0.00 C ATOM 752 C ASP A 50 95.431 -2.103 12.823 1.00 0.00 C ATOM 753 O ASP A 50 94.543 -1.663 13.551 1.00 0.00 O ATOM 754 CB ASP A 50 97.324 -3.439 13.753 1.00 0.00 C ATOM 755 CG ASP A 50 97.897 -4.841 13.929 1.00 0.00 C ATOM 756 OD1 ASP A 50 97.326 -5.767 13.377 1.00 0.00 O ATOM 757 OD2 ASP A 50 98.899 -4.969 14.614 1.00 0.00 O1- ATOM 0 H ASP A 50 97.075 -4.560 11.575 1.00 0.00 H new ATOM 0 HA ASP A 50 95.272 -4.077 13.633 1.00 0.00 H new ATOM 0 HB2 ASP A 50 98.020 -2.821 13.186 1.00 0.00 H new ATOM 0 HB3 ASP A 50 97.197 -2.964 14.726 1.00 0.00 H new ATOM 762 N ALA A 51 95.969 -1.401 11.831 1.00 0.00 N ATOM 763 CA ALA A 51 95.527 -0.042 11.543 1.00 0.00 C ATOM 764 C ALA A 51 94.017 0.009 11.336 1.00 0.00 C ATOM 765 O ALA A 51 93.344 0.901 11.844 1.00 0.00 O ATOM 766 CB ALA A 51 96.229 0.482 10.290 1.00 0.00 C ATOM 0 H ALA A 51 96.706 -1.748 11.217 1.00 0.00 H new ATOM 0 HA ALA A 51 95.784 0.585 12.397 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.893 1.498 10.082 1.00 0.00 H new ATOM 0 HB2 ALA A 51 97.307 0.482 10.450 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.988 -0.160 9.443 1.00 0.00 H new ATOM 772 N ASN A 52 93.491 -0.952 10.584 1.00 0.00 N ATOM 773 CA ASN A 52 92.056 -1.001 10.315 1.00 0.00 C ATOM 774 C ASN A 52 91.318 -1.632 11.493 1.00 0.00 C ATOM 775 O ASN A 52 90.139 -1.359 11.720 1.00 0.00 O ATOM 776 CB ASN A 52 91.798 -1.811 9.033 1.00 0.00 C ATOM 777 CG ASN A 52 90.794 -1.094 8.128 1.00 0.00 C ATOM 778 OD1 ASN A 52 90.588 0.113 8.254 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.161 -1.773 7.211 1.00 0.00 N ATOM 0 H ASN A 52 94.031 -1.702 10.152 1.00 0.00 H new ATOM 0 HA ASN A 52 91.685 0.015 10.178 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.735 -1.960 8.497 1.00 0.00 H new ATOM 0 HB3 ASN A 52 91.419 -2.799 9.292 1.00 0.00 H new ATOM 0 HD21 ASN A 52 89.495 -1.304 6.598 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.333 -2.773 7.107 1.00 0.00 H new ATOM 786 N LYS A 53 92.025 -2.464 12.245 1.00 0.00 N ATOM 787 CA LYS A 53 91.443 -3.119 13.404 1.00 0.00 C ATOM 788 C LYS A 53 91.574 -2.198 14.607 1.00 0.00 C ATOM 789 O LYS A 53 91.033 -2.468 15.678 1.00 0.00 O ATOM 790 CB LYS A 53 92.160 -4.460 13.646 1.00 0.00 C ATOM 791 CG LYS A 53 92.274 -4.759 15.145 1.00 0.00 C ATOM 792 CD LYS A 53 92.870 -6.159 15.349 1.00 0.00 C ATOM 793 CE LYS A 53 91.753 -7.207 15.328 1.00 0.00 C ATOM 794 NZ LYS A 53 92.336 -8.557 15.577 1.00 0.00 N1+ ATOM 0 H LYS A 53 93.002 -2.700 12.072 1.00 0.00 H new ATOM 0 HA LYS A 53 90.386 -3.325 13.237 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.613 -5.263 13.152 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.154 -4.430 13.201 1.00 0.00 H new ATOM 0 HG2 LYS A 53 92.903 -4.011 15.628 1.00 0.00 H new ATOM 0 HG3 LYS A 53 91.292 -4.700 15.613 1.00 0.00 H new ATOM 0 HD2 LYS A 53 93.596 -6.373 14.565 1.00 0.00 H new ATOM 0 HD3 LYS A 53 93.404 -6.202 16.298 1.00 0.00 H new ATOM 0 HE2 LYS A 53 91.007 -6.975 16.088 1.00 0.00 H new ATOM 0 HE3 LYS A 53 91.242 -7.191 14.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 91.579 -9.270 15.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 93.032 -8.777 14.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 92.804 -8.567 16.506 1.00 0.00 H new ATOM 808 N ASN A 54 92.297 -1.103 14.411 1.00 0.00 N ATOM 809 CA ASN A 54 92.494 -0.131 15.473 1.00 0.00 C ATOM 810 C ASN A 54 91.171 0.522 15.836 1.00 0.00 C ATOM 811 O ASN A 54 91.020 1.102 16.912 1.00 0.00 O ATOM 812 CB ASN A 54 93.484 0.938 15.011 1.00 0.00 C ATOM 813 CG ASN A 54 92.767 2.028 14.214 1.00 0.00 C ATOM 814 OD1 ASN A 54 93.088 3.208 14.350 1.00 0.00 O ATOM 815 ND2 ASN A 54 91.810 1.701 13.389 1.00 0.00 N ATOM 0 H ASN A 54 92.754 -0.868 13.530 1.00 0.00 H new ATOM 0 HA ASN A 54 92.891 -0.640 16.351 1.00 0.00 H new ATOM 0 HB2 ASN A 54 93.981 1.379 15.875 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.260 0.481 14.396 1.00 0.00 H new ATOM 0 HD21 ASN A 54 91.327 2.424 12.856 1.00 0.00 H new ATOM 0 HD22 ASN A 54 91.545 0.722 13.277 1.00 0.00 H new ATOM 822 N LYS A 55 90.217 0.425 14.922 1.00 0.00 N ATOM 823 CA LYS A 55 88.899 1.011 15.144 1.00 0.00 C ATOM 824 C LYS A 55 89.017 2.518 15.343 1.00 0.00 C ATOM 825 O LYS A 55 88.722 3.036 16.419 1.00 0.00 O ATOM 826 CB LYS A 55 88.246 0.391 16.385 1.00 0.00 C ATOM 827 CG LYS A 55 88.415 -1.131 16.356 1.00 0.00 C ATOM 828 CD LYS A 55 87.299 -1.790 17.172 1.00 0.00 C ATOM 829 CE LYS A 55 87.644 -3.260 17.413 1.00 0.00 C ATOM 830 NZ LYS A 55 88.243 -3.839 16.178 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.327 -0.049 14.026 1.00 0.00 H new ATOM 0 HA LYS A 55 88.282 0.808 14.268 1.00 0.00 H new ATOM 0 HB2 LYS A 55 88.700 0.799 17.288 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.187 0.648 16.416 1.00 0.00 H new ATOM 0 HG2 LYS A 55 88.387 -1.490 15.327 1.00 0.00 H new ATOM 0 HG3 LYS A 55 89.388 -1.406 16.763 1.00 0.00 H new ATOM 0 HD2 LYS A 55 87.176 -1.273 18.124 1.00 0.00 H new ATOM 0 HD3 LYS A 55 86.350 -1.710 16.641 1.00 0.00 H new ATOM 0 HE2 LYS A 55 88.343 -3.349 18.245 1.00 0.00 H new ATOM 0 HE3 LYS A 55 86.747 -3.814 17.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 88.212 -4.877 16.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 87.704 -3.519 15.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 89.231 -3.526 16.092 1.00 0.00 H new ATOM 844 N GLY A 56 89.462 3.215 14.304 1.00 0.00 N ATOM 845 CA GLY A 56 89.627 4.662 14.387 1.00 0.00 C ATOM 846 C GLY A 56 88.309 5.390 14.151 1.00 0.00 C ATOM 847 O GLY A 56 87.972 6.327 14.875 1.00 0.00 O ATOM 0 H GLY A 56 89.713 2.808 13.403 1.00 0.00 H new ATOM 0 HA2 GLY A 56 90.020 4.929 15.368 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.361 4.988 13.650 1.00 0.00 H new ATOM 851 N ILE A 57 87.569 4.965 13.133 1.00 0.00 N ATOM 852 CA ILE A 57 86.292 5.599 12.816 1.00 0.00 C ATOM 853 C ILE A 57 85.284 4.572 12.314 1.00 0.00 C ATOM 854 O ILE A 57 85.598 3.389 12.183 1.00 0.00 O ATOM 855 CB ILE A 57 86.501 6.676 11.745 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.060 6.031 10.461 1.00 0.00 C ATOM 857 CG2 ILE A 57 87.491 7.720 12.268 1.00 0.00 C ATOM 858 CD1 ILE A 57 85.924 5.747 9.468 1.00 0.00 C ATOM 0 H ILE A 57 87.826 4.193 12.518 1.00 0.00 H new ATOM 0 HA ILE A 57 85.900 6.054 13.726 1.00 0.00 H new ATOM 0 HB ILE A 57 85.548 7.155 11.519 1.00 0.00 H new ATOM 0 HG12 ILE A 57 87.795 6.694 10.003 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.577 5.104 10.707 1.00 0.00 H new ATOM 0 HG21 ILE A 57 87.643 8.489 11.510 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.093 8.177 13.174 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.443 7.238 12.493 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.334 5.292 8.567 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.205 5.066 9.923 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.426 6.681 9.208 1.00 0.00 H new ATOM 870 N THR A 58 84.071 5.040 12.030 1.00 0.00 N ATOM 871 CA THR A 58 83.013 4.166 11.533 1.00 0.00 C ATOM 872 C THR A 58 82.719 4.468 10.066 1.00 0.00 C ATOM 873 O THR A 58 82.686 5.629 9.658 1.00 0.00 O ATOM 874 CB THR A 58 81.742 4.363 12.366 1.00 0.00 C ATOM 875 OG1 THR A 58 81.888 3.693 13.611 1.00 0.00 O ATOM 876 CG2 THR A 58 80.539 3.793 11.614 1.00 0.00 C ATOM 0 H THR A 58 83.797 6.017 12.135 1.00 0.00 H new ATOM 0 HA THR A 58 83.345 3.131 11.619 1.00 0.00 H new ATOM 0 HB THR A 58 81.583 5.427 12.541 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.077 3.818 14.147 1.00 0.00 H new ATOM 0 HG21 THR A 58 79.637 3.935 12.209 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.429 4.308 10.660 1.00 0.00 H new ATOM 0 HG23 THR A 58 80.692 2.729 11.436 1.00 0.00 H new ATOM 884 N TRP A 59 82.506 3.420 9.276 1.00 0.00 N ATOM 885 CA TRP A 59 82.217 3.599 7.858 1.00 0.00 C ATOM 886 C TRP A 59 80.914 4.367 7.672 1.00 0.00 C ATOM 887 O TRP A 59 79.953 4.175 8.416 1.00 0.00 O ATOM 888 CB TRP A 59 82.105 2.246 7.155 1.00 0.00 C ATOM 889 CG TRP A 59 83.437 1.561 7.142 1.00 0.00 C ATOM 890 CD1 TRP A 59 83.707 0.376 7.738 1.00 0.00 C ATOM 891 CD2 TRP A 59 84.679 1.992 6.510 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.033 0.051 7.512 1.00 0.00 N ATOM 893 CE2 TRP A 59 85.674 1.017 6.762 1.00 0.00 C ATOM 894 CE3 TRP A 59 85.036 3.121 5.751 1.00 0.00 C ATOM 895 CZ2 TRP A 59 86.976 1.158 6.280 1.00 0.00 C ATOM 896 CZ3 TRP A 59 86.345 3.265 5.264 1.00 0.00 C ATOM 897 CH2 TRP A 59 87.313 2.286 5.527 1.00 0.00 C ATOM 0 H TRP A 59 82.528 2.449 9.589 1.00 0.00 H new ATOM 0 HA TRP A 59 83.038 4.166 7.419 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.371 1.622 7.665 1.00 0.00 H new ATOM 0 HB3 TRP A 59 81.749 2.386 6.134 1.00 0.00 H new ATOM 0 HD1 TRP A 59 83.002 -0.219 8.299 1.00 0.00 H new ATOM 0 HE1 TRP A 59 85.482 -0.798 7.857 1.00 0.00 H new ATOM 0 HE3 TRP A 59 84.299 3.882 5.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 87.718 0.401 6.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 86.608 4.136 4.683 1.00 0.00 H new ATOM 0 HH2 TRP A 59 88.318 2.403 5.148 1.00 0.00 H new ATOM 908 N LYS A 60 80.896 5.233 6.670 1.00 0.00 N ATOM 909 CA LYS A 60 79.715 6.033 6.372 1.00 0.00 C ATOM 910 C LYS A 60 79.746 6.462 4.911 1.00 0.00 C ATOM 911 O LYS A 60 80.550 5.957 4.131 1.00 0.00 O ATOM 912 CB LYS A 60 79.675 7.270 7.275 1.00 0.00 C ATOM 913 CG LYS A 60 79.404 6.843 8.722 1.00 0.00 C ATOM 914 CD LYS A 60 78.992 8.062 9.554 1.00 0.00 C ATOM 915 CE LYS A 60 80.220 8.931 9.837 1.00 0.00 C ATOM 916 NZ LYS A 60 79.853 10.011 10.796 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.687 5.401 6.048 1.00 0.00 H new ATOM 0 HA LYS A 60 78.823 5.434 6.555 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.622 7.807 7.215 1.00 0.00 H new ATOM 0 HB3 LYS A 60 78.898 7.955 6.936 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.616 6.091 8.747 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.296 6.385 9.149 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.239 8.642 9.020 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.539 7.739 10.491 1.00 0.00 H new ATOM 0 HE2 LYS A 60 81.023 8.321 10.250 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.594 9.365 8.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.687 10.602 10.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 79.100 10.599 10.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.516 9.587 11.684 1.00 0.00 H new ATOM 930 N GLU A 61 78.873 7.389 4.540 1.00 0.00 N ATOM 931 CA GLU A 61 78.827 7.860 3.161 1.00 0.00 C ATOM 932 C GLU A 61 80.049 8.721 2.841 1.00 0.00 C ATOM 933 O GLU A 61 80.812 8.414 1.925 1.00 0.00 O ATOM 934 CB GLU A 61 77.553 8.677 2.933 1.00 0.00 C ATOM 935 CG GLU A 61 77.390 8.964 1.439 1.00 0.00 C ATOM 936 CD GLU A 61 76.089 9.721 1.194 1.00 0.00 C ATOM 937 OE1 GLU A 61 75.052 9.229 1.607 1.00 0.00 O1- ATOM 938 OE2 GLU A 61 76.149 10.783 0.595 1.00 0.00 O ATOM 0 H GLU A 61 78.195 7.825 5.165 1.00 0.00 H new ATOM 0 HA GLU A 61 78.829 6.992 2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.687 8.131 3.306 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.604 9.612 3.490 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.235 9.550 1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.388 8.029 0.878 1.00 0.00 H new ATOM 945 N GLU A 62 80.227 9.798 3.599 1.00 0.00 N ATOM 946 CA GLU A 62 81.356 10.697 3.378 1.00 0.00 C ATOM 947 C GLU A 62 82.673 10.029 3.755 1.00 0.00 C ATOM 948 O GLU A 62 83.660 10.128 3.027 1.00 0.00 O ATOM 949 CB GLU A 62 81.174 11.976 4.199 1.00 0.00 C ATOM 950 CG GLU A 62 81.220 11.639 5.691 1.00 0.00 C ATOM 951 CD GLU A 62 80.667 12.805 6.504 1.00 0.00 C ATOM 952 OE1 GLU A 62 79.457 12.887 6.638 1.00 0.00 O1- ATOM 953 OE2 GLU A 62 81.462 13.599 6.982 1.00 0.00 O ATOM 0 H GLU A 62 79.611 10.069 4.365 1.00 0.00 H new ATOM 0 HA GLU A 62 81.388 10.945 2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 62 81.958 12.692 3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 62 80.223 12.447 3.951 1.00 0.00 H new ATOM 0 HG2 GLU A 62 80.638 10.739 5.887 1.00 0.00 H new ATOM 0 HG3 GLU A 62 82.246 11.427 5.993 1.00 0.00 H new ATOM 960 N THR A 63 82.688 9.345 4.891 1.00 0.00 N ATOM 961 CA THR A 63 83.897 8.666 5.338 1.00 0.00 C ATOM 962 C THR A 63 84.432 7.782 4.225 1.00 0.00 C ATOM 963 O THR A 63 85.643 7.671 4.025 1.00 0.00 O ATOM 964 CB THR A 63 83.595 7.808 6.564 1.00 0.00 C ATOM 965 OG1 THR A 63 82.583 6.866 6.242 1.00 0.00 O ATOM 966 CG2 THR A 63 83.117 8.702 7.704 1.00 0.00 C ATOM 0 H THR A 63 81.886 9.246 5.514 1.00 0.00 H new ATOM 0 HA THR A 63 84.644 9.416 5.600 1.00 0.00 H new ATOM 0 HB THR A 63 84.498 7.280 6.872 1.00 0.00 H new ATOM 0 HG1 THR A 63 82.977 6.120 5.743 1.00 0.00 H new ATOM 0 HG21 THR A 63 82.901 8.090 8.580 1.00 0.00 H new ATOM 0 HG22 THR A 63 83.894 9.426 7.949 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.214 9.230 7.398 1.00 0.00 H new ATOM 974 N LEU A 64 83.515 7.161 3.497 1.00 0.00 N ATOM 975 CA LEU A 64 83.898 6.289 2.398 1.00 0.00 C ATOM 976 C LEU A 64 84.512 7.113 1.271 1.00 0.00 C ATOM 977 O LEU A 64 85.462 6.679 0.626 1.00 0.00 O ATOM 978 CB LEU A 64 82.673 5.516 1.883 1.00 0.00 C ATOM 979 CG LEU A 64 82.731 4.053 2.346 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.434 3.333 1.944 1.00 0.00 C ATOM 981 CD2 LEU A 64 83.937 3.350 1.700 1.00 0.00 C ATOM 0 H LEU A 64 82.509 7.244 3.646 1.00 0.00 H new ATOM 0 HA LEU A 64 84.637 5.573 2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.759 5.984 2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.639 5.559 0.794 1.00 0.00 H new ATOM 0 HG LEU A 64 82.839 4.023 3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.477 2.295 2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.583 3.827 2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.321 3.365 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 64 83.974 2.312 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.838 3.381 0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.855 3.858 1.995 1.00 0.00 H new ATOM 993 N MET A 65 83.967 8.306 1.038 1.00 0.00 N ATOM 994 CA MET A 65 84.487 9.166 -0.023 1.00 0.00 C ATOM 995 C MET A 65 85.974 9.437 0.177 1.00 0.00 C ATOM 996 O MET A 65 86.788 9.155 -0.702 1.00 0.00 O ATOM 997 CB MET A 65 83.736 10.499 -0.047 1.00 0.00 C ATOM 998 CG MET A 65 82.259 10.251 -0.342 1.00 0.00 C ATOM 999 SD MET A 65 81.334 11.788 -0.108 1.00 0.00 S ATOM 1000 CE MET A 65 80.987 12.116 -1.851 1.00 0.00 C ATOM 0 H MET A 65 83.180 8.694 1.559 1.00 0.00 H new ATOM 0 HA MET A 65 84.342 8.647 -0.971 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.845 11.007 0.911 1.00 0.00 H new ATOM 0 HB3 MET A 65 84.163 11.155 -0.806 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.136 9.891 -1.364 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.870 9.475 0.318 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.673 13.153 -1.971 1.00 0.00 H new ATOM 0 HE2 MET A 65 81.886 11.939 -2.441 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.192 11.454 -2.194 1.00 0.00 H new ATOM 1010 N GLU A 66 86.322 9.983 1.336 1.00 0.00 N ATOM 1011 CA GLU A 66 87.717 10.285 1.634 1.00 0.00 C ATOM 1012 C GLU A 66 88.555 9.017 1.551 1.00 0.00 C ATOM 1013 O GLU A 66 89.740 9.060 1.219 1.00 0.00 O ATOM 1014 CB GLU A 66 87.835 10.891 3.032 1.00 0.00 C ATOM 1015 CG GLU A 66 87.001 12.172 3.105 1.00 0.00 C ATOM 1016 CD GLU A 66 87.643 13.262 2.253 1.00 0.00 C ATOM 1017 OE1 GLU A 66 87.354 13.307 1.069 1.00 0.00 O1- ATOM 1018 OE2 GLU A 66 88.415 14.034 2.797 1.00 0.00 O ATOM 0 H GLU A 66 85.665 10.224 2.078 1.00 0.00 H new ATOM 0 HA GLU A 66 88.084 11.004 0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.490 10.177 3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.879 11.110 3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 66 85.987 11.976 2.756 1.00 0.00 H new ATOM 0 HG3 GLU A 66 86.923 12.506 4.140 1.00 0.00 H new ATOM 1025 N TYR A 67 87.925 7.888 1.848 1.00 0.00 N ATOM 1026 CA TYR A 67 88.610 6.602 1.800 1.00 0.00 C ATOM 1027 C TYR A 67 88.753 6.139 0.354 1.00 0.00 C ATOM 1028 O TYR A 67 89.690 5.419 0.009 1.00 0.00 O ATOM 1029 CB TYR A 67 87.810 5.573 2.602 1.00 0.00 C ATOM 1030 CG TYR A 67 88.412 4.199 2.435 1.00 0.00 C ATOM 1031 CD1 TYR A 67 89.485 3.801 3.241 1.00 0.00 C ATOM 1032 CD2 TYR A 67 87.889 3.318 1.480 1.00 0.00 C ATOM 1033 CE1 TYR A 67 90.036 2.522 3.091 1.00 0.00 C ATOM 1034 CE2 TYR A 67 88.440 2.041 1.329 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.514 1.643 2.135 1.00 0.00 C ATOM 1036 OH TYR A 67 90.056 0.382 1.988 1.00 0.00 O ATOM 0 H TYR A 67 86.944 7.836 2.124 1.00 0.00 H new ATOM 0 HA TYR A 67 89.605 6.706 2.233 1.00 0.00 H new ATOM 0 HB2 TYR A 67 87.803 5.849 3.656 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.773 5.567 2.267 1.00 0.00 H new ATOM 0 HD1 TYR A 67 89.888 4.480 3.978 1.00 0.00 H new ATOM 0 HD2 TYR A 67 87.060 3.625 0.860 1.00 0.00 H new ATOM 0 HE1 TYR A 67 90.864 2.214 3.713 1.00 0.00 H new ATOM 0 HE2 TYR A 67 88.037 1.363 0.591 1.00 0.00 H new ATOM 0 HH TYR A 67 90.082 0.146 1.037 1.00 0.00 H new ATOM 1046 N LEU A 68 87.810 6.558 -0.484 1.00 0.00 N ATOM 1047 CA LEU A 68 87.824 6.183 -1.894 1.00 0.00 C ATOM 1048 C LEU A 68 88.830 7.027 -2.677 1.00 0.00 C ATOM 1049 O LEU A 68 89.274 6.632 -3.756 1.00 0.00 O ATOM 1050 CB LEU A 68 86.426 6.376 -2.496 1.00 0.00 C ATOM 1051 CG LEU A 68 85.510 5.211 -2.104 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.119 5.444 -2.687 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.055 3.892 -2.654 1.00 0.00 C ATOM 0 H LEU A 68 87.029 7.155 -0.213 1.00 0.00 H new ATOM 0 HA LEU A 68 88.118 5.136 -1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 68 85.999 7.316 -2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.497 6.442 -3.582 1.00 0.00 H new ATOM 0 HG LEU A 68 85.464 5.156 -1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.465 4.617 -2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.712 6.376 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 68 84.185 5.506 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.392 3.076 -2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.112 3.947 -3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 68 87.050 3.712 -2.247 1.00 0.00 H new ATOM 1065 N GLU A 69 89.183 8.189 -2.136 1.00 0.00 N ATOM 1066 CA GLU A 69 90.129 9.078 -2.796 1.00 0.00 C ATOM 1067 C GLU A 69 91.553 8.767 -2.337 1.00 0.00 C ATOM 1068 O GLU A 69 92.527 9.224 -2.935 1.00 0.00 O ATOM 1069 CB GLU A 69 89.768 10.533 -2.465 1.00 0.00 C ATOM 1070 CG GLU A 69 91.002 11.423 -2.590 1.00 0.00 C ATOM 1071 CD GLU A 69 90.587 12.889 -2.653 1.00 0.00 C ATOM 1072 OE1 GLU A 69 90.142 13.313 -3.707 1.00 0.00 O ATOM 1073 OE2 GLU A 69 90.719 13.566 -1.647 1.00 0.00 O1- ATOM 0 H GLU A 69 88.828 8.535 -1.244 1.00 0.00 H new ATOM 0 HA GLU A 69 90.077 8.929 -3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 69 88.987 10.884 -3.140 1.00 0.00 H new ATOM 0 HB3 GLU A 69 89.367 10.595 -1.453 1.00 0.00 H new ATOM 0 HG2 GLU A 69 91.664 11.261 -1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 69 91.563 11.157 -3.486 1.00 0.00 H new ATOM 1080 N ASN A 70 91.661 7.983 -1.275 1.00 0.00 N ATOM 1081 CA ASN A 70 92.965 7.613 -0.738 1.00 0.00 C ATOM 1082 C ASN A 70 92.805 6.589 0.382 1.00 0.00 C ATOM 1083 O ASN A 70 92.975 6.904 1.559 1.00 0.00 O ATOM 1084 CB ASN A 70 93.678 8.853 -0.200 1.00 0.00 C ATOM 1085 CG ASN A 70 92.791 9.567 0.814 1.00 0.00 C ATOM 1086 OD1 ASN A 70 91.989 10.424 0.442 1.00 0.00 O ATOM 1087 ND2 ASN A 70 92.886 9.264 2.080 1.00 0.00 N ATOM 0 H ASN A 70 90.867 7.592 -0.769 1.00 0.00 H new ATOM 0 HA ASN A 70 93.559 7.173 -1.539 1.00 0.00 H new ATOM 0 HB2 ASN A 70 94.620 8.567 0.267 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.921 9.527 -1.021 1.00 0.00 H new ATOM 0 HD21 ASN A 70 92.295 9.737 2.763 1.00 0.00 H new ATOM 0 HD22 ASN A 70 93.551 8.554 2.386 1.00 0.00 H new ATOM 1094 N PRO A 71 92.475 5.379 0.028 1.00 0.00 N ATOM 1095 CA PRO A 71 92.272 4.271 1.008 1.00 0.00 C ATOM 1096 C PRO A 71 93.446 4.116 1.978 1.00 0.00 C ATOM 1097 O PRO A 71 93.261 3.740 3.136 1.00 0.00 O ATOM 1098 CB PRO A 71 92.130 3.025 0.125 1.00 0.00 C ATOM 1099 CG PRO A 71 91.678 3.529 -1.207 1.00 0.00 C ATOM 1100 CD PRO A 71 92.255 4.935 -1.357 1.00 0.00 C ATOM 0 HA PRO A 71 91.408 4.454 1.646 1.00 0.00 H new ATOM 0 HB2 PRO A 71 93.078 2.493 0.042 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.407 2.326 0.546 1.00 0.00 H new ATOM 0 HG2 PRO A 71 92.029 2.878 -2.008 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.590 3.548 -1.266 1.00 0.00 H new ATOM 0 HD2 PRO A 71 93.185 4.926 -1.926 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.566 5.595 -1.883 1.00 0.00 H new ATOM 1108 N LYS A 72 94.653 4.388 1.491 1.00 0.00 N ATOM 1109 CA LYS A 72 95.851 4.253 2.318 1.00 0.00 C ATOM 1110 C LYS A 72 96.090 5.493 3.177 1.00 0.00 C ATOM 1111 O LYS A 72 96.357 5.382 4.373 1.00 0.00 O ATOM 1112 CB LYS A 72 97.066 4.018 1.417 1.00 0.00 C ATOM 1113 CG LYS A 72 98.325 3.795 2.269 1.00 0.00 C ATOM 1114 CD LYS A 72 98.426 2.322 2.684 1.00 0.00 C ATOM 1115 CE LYS A 72 99.010 1.493 1.533 1.00 0.00 C ATOM 1116 NZ LYS A 72 100.493 1.431 1.669 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.829 4.701 0.536 1.00 0.00 H new ATOM 0 HA LYS A 72 95.703 3.405 2.987 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.892 3.152 0.779 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.211 4.875 0.759 1.00 0.00 H new ATOM 0 HG2 LYS A 72 99.212 4.083 1.704 1.00 0.00 H new ATOM 0 HG3 LYS A 72 98.291 4.429 3.155 1.00 0.00 H new ATOM 0 HD2 LYS A 72 99.056 2.227 3.568 1.00 0.00 H new ATOM 0 HD3 LYS A 72 97.440 1.943 2.953 1.00 0.00 H new ATOM 0 HE2 LYS A 72 98.590 0.487 1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.740 1.939 0.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 100.890 0.869 0.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 100.885 2.394 1.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 100.740 0.987 2.576 1.00 0.00 H new ATOM 1130 N LYS A 73 96.019 6.668 2.563 1.00 0.00 N ATOM 1131 CA LYS A 73 96.258 7.905 3.297 1.00 0.00 C ATOM 1132 C LYS A 73 95.196 8.122 4.371 1.00 0.00 C ATOM 1133 O LYS A 73 95.357 8.970 5.250 1.00 0.00 O ATOM 1134 CB LYS A 73 96.274 9.099 2.334 1.00 0.00 C ATOM 1135 CG LYS A 73 97.189 10.200 2.883 1.00 0.00 C ATOM 1136 CD LYS A 73 97.334 11.316 1.843 1.00 0.00 C ATOM 1137 CE LYS A 73 95.973 11.971 1.593 1.00 0.00 C ATOM 1138 NZ LYS A 73 96.177 13.339 1.038 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.801 6.791 1.574 1.00 0.00 H new ATOM 0 HA LYS A 73 97.229 7.822 3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.623 8.780 1.352 1.00 0.00 H new ATOM 0 HB3 LYS A 73 95.263 9.486 2.203 1.00 0.00 H new ATOM 0 HG2 LYS A 73 96.775 10.603 3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 73 98.168 9.786 3.125 1.00 0.00 H new ATOM 0 HD2 LYS A 73 98.048 12.062 2.193 1.00 0.00 H new ATOM 0 HD3 LYS A 73 97.729 10.909 0.912 1.00 0.00 H new ATOM 0 HE2 LYS A 73 95.389 11.368 0.898 1.00 0.00 H new ATOM 0 HE3 LYS A 73 95.406 12.024 2.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 95.253 13.786 0.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 96.719 13.912 1.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 96.702 13.276 0.142 1.00 0.00 H new ATOM 1152 N TYR A 74 94.112 7.355 4.302 1.00 0.00 N ATOM 1153 CA TYR A 74 93.038 7.485 5.282 1.00 0.00 C ATOM 1154 C TYR A 74 93.354 6.663 6.530 1.00 0.00 C ATOM 1155 O TYR A 74 93.381 7.192 7.642 1.00 0.00 O ATOM 1156 CB TYR A 74 91.708 7.024 4.671 1.00 0.00 C ATOM 1157 CG TYR A 74 90.567 7.813 5.276 1.00 0.00 C ATOM 1158 CD1 TYR A 74 90.498 9.200 5.088 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.579 7.161 6.025 1.00 0.00 C ATOM 1160 CE1 TYR A 74 89.444 9.933 5.648 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.526 7.894 6.585 1.00 0.00 C ATOM 1162 CZ TYR A 74 88.458 9.280 6.396 1.00 0.00 C ATOM 1163 OH TYR A 74 87.420 10.001 6.948 1.00 0.00 O ATOM 0 H TYR A 74 93.954 6.645 3.587 1.00 0.00 H new ATOM 0 HA TYR A 74 92.952 8.533 5.567 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.726 7.163 3.590 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.563 5.959 4.853 1.00 0.00 H new ATOM 0 HD1 TYR A 74 91.259 9.704 4.511 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.630 6.092 6.171 1.00 0.00 H new ATOM 0 HE1 TYR A 74 89.392 11.002 5.503 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.766 7.390 7.163 1.00 0.00 H new ATOM 0 HH TYR A 74 86.823 9.395 7.435 1.00 0.00 H new ATOM 1173 N ILE A 75 93.595 5.369 6.337 1.00 0.00 N ATOM 1174 CA ILE A 75 93.914 4.478 7.452 1.00 0.00 C ATOM 1175 C ILE A 75 95.215 3.727 7.173 1.00 0.00 C ATOM 1176 O ILE A 75 95.201 2.531 6.878 1.00 0.00 O ATOM 1177 CB ILE A 75 92.775 3.474 7.664 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.458 4.232 7.884 1.00 0.00 C ATOM 1179 CG2 ILE A 75 93.073 2.604 8.891 1.00 0.00 C ATOM 1180 CD1 ILE A 75 90.276 3.319 7.544 1.00 0.00 C ATOM 0 H ILE A 75 93.576 4.914 5.424 1.00 0.00 H new ATOM 0 HA ILE A 75 94.036 5.078 8.354 1.00 0.00 H new ATOM 0 HB ILE A 75 92.688 2.838 6.783 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.387 4.565 8.919 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.432 5.125 7.259 1.00 0.00 H new ATOM 0 HG21 ILE A 75 92.261 1.892 9.038 1.00 0.00 H new ATOM 0 HG22 ILE A 75 94.006 2.063 8.735 1.00 0.00 H new ATOM 0 HG23 ILE A 75 93.164 3.238 9.773 1.00 0.00 H new ATOM 0 HD11 ILE A 75 89.342 3.859 7.701 1.00 0.00 H new ATOM 0 HD12 ILE A 75 90.345 3.008 6.502 1.00 0.00 H new ATOM 0 HD13 ILE A 75 90.299 2.439 8.187 1.00 0.00 H new ATOM 1192 N PRO A 76 96.330 4.405 7.254 1.00 0.00 N ATOM 1193 CA PRO A 76 97.667 3.796 7.001 1.00 0.00 C ATOM 1194 C PRO A 76 97.809 2.423 7.653 1.00 0.00 C ATOM 1195 O PRO A 76 97.604 2.274 8.856 1.00 0.00 O ATOM 1196 CB PRO A 76 98.638 4.805 7.616 1.00 0.00 C ATOM 1197 CG PRO A 76 97.943 6.123 7.509 1.00 0.00 C ATOM 1198 CD PRO A 76 96.441 5.834 7.599 1.00 0.00 C ATOM 0 HA PRO A 76 97.846 3.617 5.941 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.859 4.558 8.654 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.588 4.815 7.082 1.00 0.00 H new ATOM 0 HG2 PRO A 76 98.257 6.793 8.309 1.00 0.00 H new ATOM 0 HG3 PRO A 76 98.187 6.615 6.567 1.00 0.00 H new ATOM 0 HD2 PRO A 76 96.056 6.034 8.599 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.873 6.457 6.908 1.00 0.00 H new ATOM 1206 N GLY A 77 98.163 1.426 6.846 1.00 0.00 N ATOM 1207 CA GLY A 77 98.332 0.064 7.345 1.00 0.00 C ATOM 1208 C GLY A 77 97.341 -0.886 6.681 1.00 0.00 C ATOM 1209 O GLY A 77 97.617 -2.075 6.523 1.00 0.00 O ATOM 0 H GLY A 77 98.338 1.535 5.847 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.350 -0.274 7.153 1.00 0.00 H new ATOM 0 HA3 GLY A 77 98.189 0.048 8.425 1.00 0.00 H new ATOM 1213 N THR A 78 96.187 -0.353 6.287 1.00 0.00 N ATOM 1214 CA THR A 78 95.163 -1.164 5.635 1.00 0.00 C ATOM 1215 C THR A 78 95.740 -1.864 4.409 1.00 0.00 C ATOM 1216 O THR A 78 96.620 -1.326 3.736 1.00 0.00 O ATOM 1217 CB THR A 78 93.992 -0.281 5.210 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.960 -1.092 4.669 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.471 0.712 4.156 1.00 0.00 C ATOM 0 H THR A 78 95.939 0.629 6.407 1.00 0.00 H new ATOM 0 HA THR A 78 94.814 -1.916 6.343 1.00 0.00 H new ATOM 0 HB THR A 78 93.607 0.261 6.074 1.00 0.00 H new ATOM 0 HG1 THR A 78 92.207 -0.526 4.398 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.639 1.346 3.848 1.00 0.00 H new ATOM 0 HG22 THR A 78 95.264 1.332 4.574 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.853 0.169 3.291 1.00 0.00 H new ATOM 1227 N LYS A 79 95.242 -3.063 4.122 1.00 0.00 N ATOM 1228 CA LYS A 79 95.727 -3.818 2.969 1.00 0.00 C ATOM 1229 C LYS A 79 94.837 -3.565 1.750 1.00 0.00 C ATOM 1230 O LYS A 79 93.849 -4.266 1.531 1.00 0.00 O ATOM 1231 CB LYS A 79 95.755 -5.321 3.302 1.00 0.00 C ATOM 1232 CG LYS A 79 97.199 -5.842 3.280 1.00 0.00 C ATOM 1233 CD LYS A 79 97.672 -5.989 1.830 1.00 0.00 C ATOM 1234 CE LYS A 79 99.050 -6.654 1.809 1.00 0.00 C ATOM 1235 NZ LYS A 79 98.901 -8.114 2.067 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.513 -3.529 4.663 1.00 0.00 H new ATOM 0 HA LYS A 79 96.738 -3.486 2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 79 95.314 -5.492 4.284 1.00 0.00 H new ATOM 0 HB3 LYS A 79 95.151 -5.872 2.581 1.00 0.00 H new ATOM 0 HG2 LYS A 79 97.852 -5.155 3.818 1.00 0.00 H new ATOM 0 HG3 LYS A 79 97.257 -6.803 3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 79 96.959 -6.587 1.262 1.00 0.00 H new ATOM 0 HD3 LYS A 79 97.721 -5.011 1.351 1.00 0.00 H new ATOM 0 HE2 LYS A 79 99.529 -6.492 0.844 1.00 0.00 H new ATOM 0 HE3 LYS A 79 99.694 -6.204 2.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 99.786 -8.602 1.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 98.687 -8.269 3.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 98.125 -8.492 1.486 1.00 0.00 H new ATOM 1249 N MET A 80 95.202 -2.562 0.958 1.00 0.00 N ATOM 1250 CA MET A 80 94.441 -2.223 -0.241 1.00 0.00 C ATOM 1251 C MET A 80 95.126 -1.090 -0.999 1.00 0.00 C ATOM 1252 O MET A 80 94.927 0.085 -0.691 1.00 0.00 O ATOM 1253 CB MET A 80 93.018 -1.798 0.140 1.00 0.00 C ATOM 1254 CG MET A 80 92.285 -1.279 -1.101 1.00 0.00 C ATOM 1255 SD MET A 80 90.510 -1.157 -0.754 1.00 0.00 S ATOM 1256 CE MET A 80 90.173 0.299 -1.776 1.00 0.00 C ATOM 0 H MET A 80 96.017 -1.971 1.123 1.00 0.00 H new ATOM 0 HA MET A 80 94.394 -3.104 -0.882 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.478 -2.643 0.567 1.00 0.00 H new ATOM 0 HB3 MET A 80 93.052 -1.022 0.905 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.678 -0.303 -1.386 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.456 -1.949 -1.943 1.00 0.00 H new ATOM 0 HE1 MET A 80 90.076 1.177 -1.138 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.994 0.449 -2.478 1.00 0.00 H new ATOM 0 HE3 MET A 80 89.246 0.149 -2.329 1.00 0.00 H new ATOM 1266 N ILE A 81 95.933 -1.453 -1.994 1.00 0.00 N ATOM 1267 CA ILE A 81 96.645 -0.462 -2.797 1.00 0.00 C ATOM 1268 C ILE A 81 96.060 -0.407 -4.205 1.00 0.00 C ATOM 1269 O ILE A 81 96.342 -1.267 -5.040 1.00 0.00 O ATOM 1270 CB ILE A 81 98.134 -0.819 -2.868 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.798 -0.525 -1.517 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.816 0.018 -3.954 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.248 -1.467 -0.439 1.00 0.00 C ATOM 0 H ILE A 81 96.109 -2.421 -2.262 1.00 0.00 H new ATOM 0 HA ILE A 81 96.533 0.516 -2.328 1.00 0.00 H new ATOM 0 HB ILE A 81 98.236 -1.878 -3.106 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.878 -0.647 -1.600 1.00 0.00 H new ATOM 0 HG13 ILE A 81 98.616 0.511 -1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 81 99.874 -0.239 -4.001 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.350 -0.187 -4.918 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.710 1.077 -3.718 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.728 -1.248 0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 81 97.172 -1.324 -0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 81 98.453 -2.500 -0.719 1.00 0.00 H new ATOM 1285 N PHE A 82 95.242 0.610 -4.461 1.00 0.00 N ATOM 1286 CA PHE A 82 94.621 0.770 -5.772 1.00 0.00 C ATOM 1287 C PHE A 82 94.326 2.243 -6.042 1.00 0.00 C ATOM 1288 O PHE A 82 94.047 3.009 -5.120 1.00 0.00 O ATOM 1289 CB PHE A 82 93.321 -0.042 -5.836 1.00 0.00 C ATOM 1290 CG PHE A 82 93.011 -0.397 -7.274 1.00 0.00 C ATOM 1291 CD1 PHE A 82 93.560 -1.553 -7.842 1.00 0.00 C ATOM 1292 CD2 PHE A 82 92.176 0.428 -8.036 1.00 0.00 C ATOM 1293 CE1 PHE A 82 93.274 -1.884 -9.172 1.00 0.00 C ATOM 1294 CE2 PHE A 82 91.890 0.098 -9.366 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.439 -1.058 -9.934 1.00 0.00 C ATOM 0 H PHE A 82 94.995 1.331 -3.783 1.00 0.00 H new ATOM 0 HA PHE A 82 95.310 0.405 -6.533 1.00 0.00 H new ATOM 0 HB2 PHE A 82 93.418 -0.950 -5.240 1.00 0.00 H new ATOM 0 HB3 PHE A 82 92.500 0.534 -5.408 1.00 0.00 H new ATOM 0 HD1 PHE A 82 94.204 -2.190 -7.254 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.752 1.319 -7.598 1.00 0.00 H new ATOM 0 HE1 PHE A 82 93.697 -2.776 -9.610 1.00 0.00 H new ATOM 0 HE2 PHE A 82 91.246 0.735 -9.954 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.218 -1.313 -10.960 1.00 0.00 H new ATOM 1305 N ALA A 83 94.395 2.631 -7.310 1.00 0.00 N ATOM 1306 CA ALA A 83 94.138 4.015 -7.692 1.00 0.00 C ATOM 1307 C ALA A 83 92.786 4.483 -7.161 1.00 0.00 C ATOM 1308 O ALA A 83 91.738 4.033 -7.624 1.00 0.00 O ATOM 1309 CB ALA A 83 94.161 4.147 -9.215 1.00 0.00 C ATOM 0 H ALA A 83 94.625 2.012 -8.087 1.00 0.00 H new ATOM 0 HA ALA A 83 94.919 4.640 -7.258 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.968 5.183 -9.493 1.00 0.00 H new ATOM 0 HB2 ALA A 83 95.139 3.846 -9.592 1.00 0.00 H new ATOM 0 HB3 ALA A 83 93.393 3.506 -9.647 1.00 0.00 H new ATOM 1315 N GLY A 84 92.820 5.393 -6.192 1.00 0.00 N ATOM 1316 CA GLY A 84 91.591 5.921 -5.610 1.00 0.00 C ATOM 1317 C GLY A 84 90.694 6.511 -6.692 1.00 0.00 C ATOM 1318 O GLY A 84 90.857 6.215 -7.875 1.00 0.00 O ATOM 0 H GLY A 84 93.678 5.777 -5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.061 5.127 -5.084 1.00 0.00 H new ATOM 0 HA3 GLY A 84 91.831 6.687 -4.872 1.00 0.00 H new ATOM 1322 N ILE A 85 89.749 7.350 -6.280 1.00 0.00 N ATOM 1323 CA ILE A 85 88.834 7.979 -7.230 1.00 0.00 C ATOM 1324 C ILE A 85 89.307 9.391 -7.568 1.00 0.00 C ATOM 1325 O ILE A 85 90.088 9.986 -6.826 1.00 0.00 O ATOM 1326 CB ILE A 85 87.422 8.026 -6.639 1.00 0.00 C ATOM 1327 CG1 ILE A 85 86.858 6.597 -6.534 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.514 8.874 -7.530 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.195 6.185 -7.854 1.00 0.00 C ATOM 0 H ILE A 85 89.596 7.609 -5.305 1.00 0.00 H new ATOM 0 HA ILE A 85 88.818 7.389 -8.146 1.00 0.00 H new ATOM 0 HB ILE A 85 87.464 8.472 -5.645 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.660 5.900 -6.289 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.132 6.545 -5.723 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.511 8.903 -7.104 1.00 0.00 H new ATOM 0 HG22 ILE A 85 86.911 9.887 -7.594 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.472 8.437 -8.528 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.802 5.173 -7.763 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.380 6.872 -8.082 1.00 0.00 H new ATOM 0 HD13 ILE A 85 86.932 6.217 -8.657 1.00 0.00 H new ATOM 1341 N LYS A 86 88.844 9.915 -8.701 1.00 0.00 N ATOM 1342 CA LYS A 86 89.243 11.251 -9.138 1.00 0.00 C ATOM 1343 C LYS A 86 88.196 12.300 -8.767 1.00 0.00 C ATOM 1344 O LYS A 86 88.439 13.154 -7.915 1.00 0.00 O ATOM 1345 CB LYS A 86 89.450 11.254 -10.654 1.00 0.00 C ATOM 1346 CG LYS A 86 90.501 10.206 -11.028 1.00 0.00 C ATOM 1347 CD LYS A 86 90.459 9.954 -12.537 1.00 0.00 C ATOM 1348 CE LYS A 86 91.377 8.780 -12.886 1.00 0.00 C ATOM 1349 NZ LYS A 86 90.734 7.503 -12.464 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.197 9.439 -9.329 1.00 0.00 H new ATOM 0 HA LYS A 86 90.173 11.506 -8.631 1.00 0.00 H new ATOM 0 HB2 LYS A 86 88.509 11.038 -11.161 1.00 0.00 H new ATOM 0 HB3 LYS A 86 89.771 12.241 -10.986 1.00 0.00 H new ATOM 0 HG2 LYS A 86 91.493 10.550 -10.734 1.00 0.00 H new ATOM 0 HG3 LYS A 86 90.312 9.278 -10.489 1.00 0.00 H new ATOM 0 HD2 LYS A 86 89.438 9.737 -12.852 1.00 0.00 H new ATOM 0 HD3 LYS A 86 90.775 10.848 -13.074 1.00 0.00 H new ATOM 0 HE2 LYS A 86 91.573 8.764 -13.958 1.00 0.00 H new ATOM 0 HE3 LYS A 86 92.340 8.897 -12.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 91.210 6.704 -12.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 90.813 7.399 -11.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 89.730 7.514 -12.735 1.00 0.00 H new ATOM 1363 N LYS A 87 87.039 12.247 -9.424 1.00 0.00 N ATOM 1364 CA LYS A 87 85.978 13.217 -9.163 1.00 0.00 C ATOM 1365 C LYS A 87 85.146 12.818 -7.947 1.00 0.00 C ATOM 1366 O LYS A 87 85.172 11.669 -7.508 1.00 0.00 O ATOM 1367 CB LYS A 87 85.070 13.334 -10.388 1.00 0.00 C ATOM 1368 CG LYS A 87 85.846 13.984 -11.535 1.00 0.00 C ATOM 1369 CD LYS A 87 84.941 14.101 -12.763 1.00 0.00 C ATOM 1370 CE LYS A 87 85.693 14.822 -13.883 1.00 0.00 C ATOM 1371 NZ LYS A 87 86.721 13.909 -14.459 1.00 0.00 N1+ ATOM 0 H LYS A 87 86.814 11.550 -10.134 1.00 0.00 H new ATOM 0 HA LYS A 87 86.446 14.179 -8.955 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.715 12.348 -10.687 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.190 13.930 -10.146 1.00 0.00 H new ATOM 0 HG2 LYS A 87 86.200 14.971 -11.236 1.00 0.00 H new ATOM 0 HG3 LYS A 87 86.727 13.389 -11.775 1.00 0.00 H new ATOM 0 HD2 LYS A 87 84.633 13.110 -13.097 1.00 0.00 H new ATOM 0 HD3 LYS A 87 84.033 14.648 -12.509 1.00 0.00 H new ATOM 0 HE2 LYS A 87 84.996 15.138 -14.659 1.00 0.00 H new ATOM 0 HE3 LYS A 87 86.168 15.723 -13.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 87.127 14.339 -15.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 87.475 13.750 -13.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 86.280 13.000 -14.704 1.00 0.00 H new ATOM 1385 N LYS A 88 84.406 13.782 -7.409 1.00 0.00 N ATOM 1386 CA LYS A 88 83.562 13.527 -6.247 1.00 0.00 C ATOM 1387 C LYS A 88 82.374 12.657 -6.638 1.00 0.00 C ATOM 1388 O LYS A 88 82.083 11.662 -5.978 1.00 0.00 O ATOM 1389 CB LYS A 88 83.070 14.855 -5.656 1.00 0.00 C ATOM 1390 CG LYS A 88 81.952 14.603 -4.625 1.00 0.00 C ATOM 1391 CD LYS A 88 80.584 14.893 -5.253 1.00 0.00 C ATOM 1392 CE LYS A 88 79.507 14.871 -4.166 1.00 0.00 C ATOM 1393 NZ LYS A 88 78.222 15.373 -4.731 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.373 14.741 -7.756 1.00 0.00 H new ATOM 0 HA LYS A 88 84.149 12.999 -5.495 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.900 15.379 -5.181 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.700 15.500 -6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 88 81.991 13.570 -4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 88 82.102 15.237 -3.751 1.00 0.00 H new ATOM 0 HD2 LYS A 88 80.597 15.865 -5.747 1.00 0.00 H new ATOM 0 HD3 LYS A 88 80.359 14.150 -6.018 1.00 0.00 H new ATOM 0 HE2 LYS A 88 79.379 13.857 -3.786 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.813 15.491 -3.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 77.916 16.216 -4.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 78.356 15.621 -5.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 77.496 14.633 -4.652 1.00 0.00 H new ATOM 1407 N THR A 89 81.691 13.033 -7.715 1.00 0.00 N ATOM 1408 CA THR A 89 80.539 12.266 -8.170 1.00 0.00 C ATOM 1409 C THR A 89 80.932 10.816 -8.419 1.00 0.00 C ATOM 1410 O THR A 89 80.094 9.919 -8.354 1.00 0.00 O ATOM 1411 CB THR A 89 79.967 12.865 -9.452 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.001 12.987 -10.419 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.373 14.243 -9.154 1.00 0.00 C ATOM 0 H THR A 89 81.912 13.852 -8.281 1.00 0.00 H new ATOM 0 HA THR A 89 79.778 12.304 -7.390 1.00 0.00 H new ATOM 0 HB THR A 89 79.184 12.214 -9.840 1.00 0.00 H new ATOM 0 HG1 THR A 89 80.634 13.370 -11.243 1.00 0.00 H new ATOM 0 HG21 THR A 89 78.965 14.669 -10.070 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.578 14.144 -8.415 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.152 14.898 -8.764 1.00 0.00 H new ATOM 1421 N GLU A 90 82.213 10.589 -8.690 1.00 0.00 N ATOM 1422 CA GLU A 90 82.691 9.233 -8.923 1.00 0.00 C ATOM 1423 C GLU A 90 82.661 8.469 -7.606 1.00 0.00 C ATOM 1424 O GLU A 90 82.353 7.279 -7.570 1.00 0.00 O ATOM 1425 CB GLU A 90 84.113 9.254 -9.490 1.00 0.00 C ATOM 1426 CG GLU A 90 84.073 9.602 -10.978 1.00 0.00 C ATOM 1427 CD GLU A 90 85.476 9.942 -11.471 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.400 9.849 -10.680 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 85.606 10.291 -12.634 1.00 0.00 O ATOM 0 H GLU A 90 82.928 11.314 -8.753 1.00 0.00 H new ATOM 0 HA GLU A 90 82.045 8.741 -9.650 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.718 9.985 -8.953 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.586 8.282 -9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.672 8.762 -11.546 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.405 10.447 -11.145 1.00 0.00 H new ATOM 1436 N ARG A 91 82.960 9.180 -6.521 1.00 0.00 N ATOM 1437 CA ARG A 91 82.941 8.579 -5.194 1.00 0.00 C ATOM 1438 C ARG A 91 81.500 8.410 -4.735 1.00 0.00 C ATOM 1439 O ARG A 91 81.096 7.330 -4.311 1.00 0.00 O ATOM 1440 CB ARG A 91 83.679 9.472 -4.192 1.00 0.00 C ATOM 1441 CG ARG A 91 85.184 9.428 -4.460 1.00 0.00 C ATOM 1442 CD ARG A 91 85.923 10.213 -3.374 1.00 0.00 C ATOM 1443 NE ARG A 91 85.883 11.641 -3.668 1.00 0.00 N ATOM 1444 CZ ARG A 91 86.570 12.155 -4.684 1.00 0.00 C ATOM 1445 NH1 ARG A 91 87.298 11.378 -5.437 1.00 0.00 N ATOM 1446 NH2 ARG A 91 86.515 13.436 -4.926 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.217 10.167 -6.536 1.00 0.00 H new ATOM 0 HA ARG A 91 83.437 7.609 -5.243 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.317 10.497 -4.271 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.473 9.139 -3.175 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.531 8.395 -4.475 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.401 9.852 -5.440 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.467 10.022 -2.403 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.958 9.876 -3.312 1.00 0.00 H new ATOM 0 HE ARG A 91 85.318 12.257 -3.084 1.00 0.00 H new ATOM 0 HH11 ARG A 91 87.340 10.377 -5.246 1.00 0.00 H new ATOM 0 HH12 ARG A 91 87.825 11.771 -6.217 1.00 0.00 H new ATOM 0 HH21 ARG A 91 85.945 14.042 -4.336 1.00 0.00 H new ATOM 0 HH22 ARG A 91 87.042 13.831 -5.705 1.00 0.00 H new ATOM 1460 N GLU A 92 80.728 9.490 -4.828 1.00 0.00 N ATOM 1461 CA GLU A 92 79.328 9.452 -4.423 1.00 0.00 C ATOM 1462 C GLU A 92 78.591 8.370 -5.203 1.00 0.00 C ATOM 1463 O GLU A 92 77.953 7.497 -4.616 1.00 0.00 O ATOM 1464 CB GLU A 92 78.668 10.807 -4.680 1.00 0.00 C ATOM 1465 CG GLU A 92 77.331 10.875 -3.938 1.00 0.00 C ATOM 1466 CD GLU A 92 76.540 12.093 -4.401 1.00 0.00 C ATOM 1467 OE1 GLU A 92 76.945 13.197 -4.074 1.00 0.00 O ATOM 1468 OE2 GLU A 92 75.541 11.906 -5.074 1.00 0.00 O1- ATOM 0 H GLU A 92 81.046 10.394 -5.177 1.00 0.00 H new ATOM 0 HA GLU A 92 79.278 9.227 -3.358 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.323 11.611 -4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.510 10.949 -5.749 1.00 0.00 H new ATOM 0 HG2 GLU A 92 76.757 9.967 -4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 92 77.504 10.931 -2.863 1.00 0.00 H new ATOM 1475 N ASP A 93 78.694 8.428 -6.528 1.00 0.00 N ATOM 1476 CA ASP A 93 78.042 7.437 -7.374 1.00 0.00 C ATOM 1477 C ASP A 93 78.527 6.039 -7.006 1.00 0.00 C ATOM 1478 O ASP A 93 77.726 5.139 -6.754 1.00 0.00 O ATOM 1479 CB ASP A 93 78.349 7.719 -8.846 1.00 0.00 C ATOM 1480 CG ASP A 93 77.743 9.056 -9.259 1.00 0.00 C ATOM 1481 OD1 ASP A 93 76.993 9.612 -8.474 1.00 0.00 O ATOM 1482 OD2 ASP A 93 78.037 9.504 -10.355 1.00 0.00 O1- ATOM 0 H ASP A 93 79.217 9.143 -7.033 1.00 0.00 H new ATOM 0 HA ASP A 93 76.965 7.495 -7.218 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.427 7.735 -9.004 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.947 6.920 -9.469 1.00 0.00 H new ATOM 1487 N LEU A 94 79.846 5.869 -6.966 1.00 0.00 N ATOM 1488 CA LEU A 94 80.429 4.579 -6.613 1.00 0.00 C ATOM 1489 C LEU A 94 79.882 4.111 -5.276 1.00 0.00 C ATOM 1490 O LEU A 94 79.621 2.926 -5.074 1.00 0.00 O ATOM 1491 CB LEU A 94 81.953 4.703 -6.506 1.00 0.00 C ATOM 1492 CG LEU A 94 82.553 3.386 -5.999 1.00 0.00 C ATOM 1493 CD1 LEU A 94 82.084 2.238 -6.890 1.00 0.00 C ATOM 1494 CD2 LEU A 94 84.086 3.467 -6.022 1.00 0.00 C ATOM 0 H LEU A 94 80.525 6.601 -7.172 1.00 0.00 H new ATOM 0 HA LEU A 94 80.172 3.859 -7.390 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.375 4.953 -7.479 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.213 5.515 -5.828 1.00 0.00 H new ATOM 0 HG LEU A 94 82.222 3.210 -4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.510 1.301 -6.531 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.996 2.177 -6.862 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.411 2.416 -7.915 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.505 2.528 -5.661 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.426 3.647 -7.042 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.417 4.283 -5.380 1.00 0.00 H new ATOM 1506 N ILE A 95 79.729 5.056 -4.362 1.00 0.00 N ATOM 1507 CA ILE A 95 79.232 4.745 -3.037 1.00 0.00 C ATOM 1508 C ILE A 95 77.733 4.486 -3.072 1.00 0.00 C ATOM 1509 O ILE A 95 77.204 3.725 -2.263 1.00 0.00 O ATOM 1510 CB ILE A 95 79.559 5.897 -2.084 1.00 0.00 C ATOM 1511 CG1 ILE A 95 81.063 5.854 -1.784 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.752 5.744 -0.787 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.560 7.225 -1.327 1.00 0.00 C ATOM 0 H ILE A 95 79.942 6.042 -4.516 1.00 0.00 H new ATOM 0 HA ILE A 95 79.719 3.838 -2.679 1.00 0.00 H new ATOM 0 HB ILE A 95 79.297 6.853 -2.538 1.00 0.00 H new ATOM 0 HG12 ILE A 95 81.264 5.112 -1.011 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.608 5.542 -2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 95 78.989 6.567 -0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.687 5.759 -1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 95 79.007 4.798 -0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.629 7.174 -1.119 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.378 7.958 -2.112 1.00 0.00 H new ATOM 0 HD13 ILE A 95 81.028 7.522 -0.423 1.00 0.00 H new ATOM 1525 N ALA A 96 77.057 5.109 -4.028 1.00 0.00 N ATOM 1526 CA ALA A 96 75.624 4.921 -4.170 1.00 0.00 C ATOM 1527 C ALA A 96 75.343 3.487 -4.601 1.00 0.00 C ATOM 1528 O ALA A 96 74.352 2.881 -4.188 1.00 0.00 O ATOM 1529 CB ALA A 96 75.068 5.897 -5.204 1.00 0.00 C ATOM 0 H ALA A 96 77.475 5.743 -4.709 1.00 0.00 H new ATOM 0 HA ALA A 96 75.138 5.112 -3.213 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.993 5.748 -5.303 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.265 6.920 -4.882 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.549 5.721 -6.166 1.00 0.00 H new ATOM 1535 N TYR A 97 76.242 2.944 -5.418 1.00 0.00 N ATOM 1536 CA TYR A 97 76.099 1.572 -5.884 1.00 0.00 C ATOM 1537 C TYR A 97 76.436 0.616 -4.748 1.00 0.00 C ATOM 1538 O TYR A 97 75.836 -0.450 -4.619 1.00 0.00 O ATOM 1539 CB TYR A 97 77.032 1.311 -7.070 1.00 0.00 C ATOM 1540 CG TYR A 97 76.968 -0.152 -7.447 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.873 -0.643 -8.168 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.003 -1.018 -7.073 1.00 0.00 C ATOM 1543 CE1 TYR A 97 75.812 -1.998 -8.513 1.00 0.00 C ATOM 1544 CE2 TYR A 97 77.942 -2.373 -7.419 1.00 0.00 C ATOM 1545 CZ TYR A 97 76.846 -2.864 -8.138 1.00 0.00 C ATOM 1546 OH TYR A 97 76.786 -4.199 -8.478 1.00 0.00 O ATOM 0 H TYR A 97 77.069 3.429 -5.767 1.00 0.00 H new ATOM 0 HA TYR A 97 75.070 1.413 -6.207 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.741 1.930 -7.919 1.00 0.00 H new ATOM 0 HB3 TYR A 97 78.054 1.587 -6.810 1.00 0.00 H new ATOM 0 HD1 TYR A 97 75.075 0.024 -8.458 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.849 -0.640 -6.517 1.00 0.00 H new ATOM 0 HE1 TYR A 97 74.967 -2.376 -9.069 1.00 0.00 H new ATOM 0 HE2 TYR A 97 78.741 -3.040 -7.131 1.00 0.00 H new ATOM 0 HH TYR A 97 77.584 -4.658 -8.142 1.00 0.00 H new ATOM 1556 N LEU A 98 77.399 1.015 -3.921 1.00 0.00 N ATOM 1557 CA LEU A 98 77.811 0.202 -2.788 1.00 0.00 C ATOM 1558 C LEU A 98 76.639 -0.001 -1.834 1.00 0.00 C ATOM 1559 O LEU A 98 76.367 -1.114 -1.395 1.00 0.00 O ATOM 1560 CB LEU A 98 78.948 0.897 -2.033 1.00 0.00 C ATOM 1561 CG LEU A 98 80.291 0.645 -2.732 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.310 1.693 -2.279 1.00 0.00 C ATOM 1563 CD2 LEU A 98 80.814 -0.744 -2.364 1.00 0.00 C ATOM 0 H LEU A 98 77.906 1.895 -4.017 1.00 0.00 H new ATOM 0 HA LEU A 98 78.151 -0.764 -3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 98 78.755 1.968 -1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 98 78.990 0.529 -1.008 1.00 0.00 H new ATOM 0 HG LEU A 98 80.147 0.710 -3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.263 1.513 -2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 98 80.948 2.688 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 98 81.446 1.626 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 98 81.767 -0.918 -2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 98 80.953 -0.806 -1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.095 -1.499 -2.682 1.00 0.00 H new ATOM 1575 N LYS A 99 75.959 1.095 -1.507 1.00 0.00 N ATOM 1576 CA LYS A 99 74.826 1.042 -0.591 1.00 0.00 C ATOM 1577 C LYS A 99 73.745 0.094 -1.107 1.00 0.00 C ATOM 1578 O LYS A 99 73.306 -0.806 -0.391 1.00 0.00 O ATOM 1579 CB LYS A 99 74.234 2.445 -0.409 1.00 0.00 C ATOM 1580 CG LYS A 99 75.121 3.260 0.540 1.00 0.00 C ATOM 1581 CD LYS A 99 74.409 4.561 0.928 1.00 0.00 C ATOM 1582 CE LYS A 99 74.369 5.520 -0.268 1.00 0.00 C ATOM 1583 NZ LYS A 99 74.400 6.926 0.226 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.173 2.027 -1.862 1.00 0.00 H new ATOM 0 HA LYS A 99 75.184 0.668 0.368 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.159 2.947 -1.374 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.223 2.375 -0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.345 2.677 1.433 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.073 3.485 0.059 1.00 0.00 H new ATOM 0 HD2 LYS A 99 73.395 4.343 1.263 1.00 0.00 H new ATOM 0 HD3 LYS A 99 74.926 5.032 1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 99 75.218 5.335 -0.926 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.467 5.349 -0.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 74.628 7.566 -0.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 73.470 7.177 0.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 75.124 7.018 0.967 1.00 0.00 H new ATOM 1597 N LYS A 100 73.310 0.307 -2.345 1.00 0.00 N ATOM 1598 CA LYS A 100 72.268 -0.531 -2.933 1.00 0.00 C ATOM 1599 C LYS A 100 72.787 -1.936 -3.233 1.00 0.00 C ATOM 1600 O LYS A 100 72.017 -2.896 -3.261 1.00 0.00 O ATOM 1601 CB LYS A 100 71.756 0.108 -4.225 1.00 0.00 C ATOM 1602 CG LYS A 100 71.164 1.483 -3.911 1.00 0.00 C ATOM 1603 CD LYS A 100 70.940 2.254 -5.214 1.00 0.00 C ATOM 1604 CE LYS A 100 70.444 3.665 -4.893 1.00 0.00 C ATOM 1605 NZ LYS A 100 69.031 3.602 -4.425 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.658 1.045 -2.957 1.00 0.00 H new ATOM 0 HA LYS A 100 71.456 -0.612 -2.211 1.00 0.00 H new ATOM 0 HB2 LYS A 100 72.570 0.206 -4.943 1.00 0.00 H new ATOM 0 HB3 LYS A 100 71.000 -0.529 -4.684 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.221 1.371 -3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 100 71.837 2.039 -3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 100 71.868 2.304 -5.784 1.00 0.00 H new ATOM 0 HD3 LYS A 100 70.212 1.734 -5.836 1.00 0.00 H new ATOM 0 HE2 LYS A 100 71.072 4.117 -4.125 1.00 0.00 H new ATOM 0 HE3 LYS A 100 70.517 4.297 -5.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 68.641 4.564 -4.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 68.469 3.038 -5.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 68.996 3.159 -3.485 1.00 0.00 H new ATOM 1619 N ALA A 101 74.091 -2.051 -3.464 1.00 0.00 N ATOM 1620 CA ALA A 101 74.691 -3.348 -3.767 1.00 0.00 C ATOM 1621 C ALA A 101 75.051 -4.095 -2.489 1.00 0.00 C ATOM 1622 O ALA A 101 75.191 -5.317 -2.495 1.00 0.00 O ATOM 1623 CB ALA A 101 75.951 -3.153 -4.613 1.00 0.00 C ATOM 0 H ALA A 101 74.748 -1.271 -3.448 1.00 0.00 H new ATOM 0 HA ALA A 101 73.961 -3.938 -4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.394 -4.124 -4.836 1.00 0.00 H new ATOM 0 HB2 ALA A 101 75.690 -2.651 -5.545 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.669 -2.545 -4.062 1.00 0.00 H new ATOM 1629 N THR A 102 75.199 -3.358 -1.395 1.00 0.00 N ATOM 1630 CA THR A 102 75.545 -3.968 -0.116 1.00 0.00 C ATOM 1631 C THR A 102 74.282 -4.300 0.662 1.00 0.00 C ATOM 1632 O THR A 102 74.340 -4.820 1.777 1.00 0.00 O ATOM 1633 CB THR A 102 76.422 -3.016 0.700 1.00 0.00 C ATOM 1634 OG1 THR A 102 75.795 -1.741 0.770 1.00 0.00 O ATOM 1635 CG2 THR A 102 77.795 -2.877 0.034 1.00 0.00 C ATOM 0 H THR A 102 75.086 -2.345 -1.366 1.00 0.00 H new ATOM 0 HA THR A 102 76.099 -4.888 -0.304 1.00 0.00 H new ATOM 0 HB THR A 102 76.551 -3.415 1.706 1.00 0.00 H new ATOM 0 HG1 THR A 102 75.860 -1.296 -0.101 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.416 -2.198 0.619 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.275 -3.854 -0.018 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.672 -2.480 -0.973 1.00 0.00 H new ATOM 1643 N ASN A 103 73.141 -3.999 0.054 1.00 0.00 N ATOM 1644 CA ASN A 103 71.849 -4.266 0.673 1.00 0.00 C ATOM 1645 C ASN A 103 71.134 -5.376 -0.086 1.00 0.00 C ATOM 1646 O ASN A 103 70.281 -6.072 0.467 1.00 0.00 O ATOM 1647 CB ASN A 103 70.995 -2.996 0.651 1.00 0.00 C ATOM 1648 CG ASN A 103 71.364 -2.093 1.822 1.00 0.00 C ATOM 1649 OD1 ASN A 103 70.527 -1.335 2.311 1.00 0.00 O ATOM 1650 ND2 ASN A 103 72.574 -2.130 2.302 1.00 0.00 N ATOM 0 H ASN A 103 73.084 -3.569 -0.869 1.00 0.00 H new ATOM 0 HA ASN A 103 72.004 -4.579 1.706 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.145 -2.465 -0.289 1.00 0.00 H new ATOM 0 HB3 ASN A 103 69.938 -3.259 0.704 1.00 0.00 H new ATOM 0 HD21 ASN A 103 72.830 -1.530 3.086 1.00 0.00 H new ATOM 0 HD22 ASN A 103 73.265 -2.759 1.894 1.00 0.00 H new ATOM 1657 N GLU A 104 71.496 -5.531 -1.357 1.00 0.00 N ATOM 1658 CA GLU A 104 70.895 -6.559 -2.206 1.00 0.00 C ATOM 1659 C GLU A 104 69.434 -6.796 -1.826 1.00 0.00 C ATOM 1660 O GLU A 104 68.804 -5.858 -1.366 1.00 0.00 O ATOM 1661 CB GLU A 104 71.686 -7.864 -2.078 1.00 0.00 C ATOM 1662 CG GLU A 104 72.985 -7.756 -2.883 1.00 0.00 C ATOM 1663 CD GLU A 104 72.714 -8.047 -4.356 1.00 0.00 C ATOM 1664 OE1 GLU A 104 71.553 -8.171 -4.710 1.00 0.00 O ATOM 1665 OE2 GLU A 104 73.671 -8.142 -5.107 1.00 0.00 O1- ATOM 1666 OXT GLU A 104 68.968 -7.910 -2.001 1.00 0.00 O ATOM 0 H GLU A 104 72.201 -4.959 -1.822 1.00 0.00 H new ATOM 0 HA GLU A 104 70.927 -6.214 -3.240 1.00 0.00 H new ATOM 0 HB2 GLU A 104 71.911 -8.064 -1.030 1.00 0.00 H new ATOM 0 HB3 GLU A 104 71.089 -8.700 -2.441 1.00 0.00 H new ATOM 0 HG2 GLU A 104 73.408 -6.757 -2.773 1.00 0.00 H new ATOM 0 HG3 GLU A 104 73.722 -8.459 -2.495 1.00 0.00 H new