USER MOD reduce.3.24.130724 H: found=0, std=0, add=1008, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1009 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 111 ASN : amide:sc= -2.08 X(o=-3.6,f=-3.9!) USER MOD Set 1.2: A 113 GLN : amide:sc= -1.54 K(o=-3.6,f=-6.4!) USER MOD Single : A 8 MET CE :methyl -174:sc= -0.282 (180deg=-0.301) USER MOD Single : A 13 ASN : amide:sc= -0.876 K(o=-0.88,f=-0.26) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.027 K(o=-0.027,f=-0.54) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.355 X(o=-0.35,f=-0.28) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 36 SER OG : rot 50:sc= 1.25 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000903) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00432 USER MOD Single : A 42 GLN : amide:sc= -0.576 K(o=-0.58,f=-2.7!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 165:sc= -1.61! USER MOD Single : A 52 SER OG : rot -172:sc= 0.689 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.926 K(o=-0.93,f=-1.9!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -1.39! C(o=-1.4!,f=-4!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -99:sc= 0.0477 USER MOD Single : A 88 ASN : amide:sc= 0.678 K(o=0.68,f=-3.6) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 150:sc= -1.92! USER MOD Single : A 106 GLN : amide:sc= -0.356 K(o=-0.36,f=-2.7!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.0075 X(o=-0.0075,f=-0.26) USER MOD Single : A 112 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.57) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 MET CE :methyl -153:sc= -1.66 (180deg=-4.26!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -12.486 3.630 8.855 1.00 0.00 N ATOM 60 CA GLY A 7 -13.125 2.691 7.948 1.00 0.00 C ATOM 61 C GLY A 7 -12.467 2.731 6.567 1.00 0.00 C ATOM 62 O GLY A 7 -11.507 2.005 6.312 1.00 0.00 O ATOM 0 HA2 GLY A 7 -13.060 1.683 8.357 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.184 2.931 7.857 1.00 0.00 H new ATOM 66 N MET A 8 -13.010 3.586 5.712 1.00 0.00 N ATOM 67 CA MET A 8 -12.488 3.729 4.364 1.00 0.00 C ATOM 68 C MET A 8 -12.293 5.203 4.005 1.00 0.00 C ATOM 69 O MET A 8 -11.185 5.624 3.674 1.00 0.00 O ATOM 70 CB MET A 8 -13.457 3.085 3.370 1.00 0.00 C ATOM 71 CG MET A 8 -13.003 3.325 1.928 1.00 0.00 C ATOM 72 SD MET A 8 -11.949 1.989 1.389 1.00 0.00 S ATOM 73 CE MET A 8 -10.366 2.814 1.413 1.00 0.00 C ATOM 0 H MET A 8 -13.806 4.186 5.927 1.00 0.00 H new ATOM 0 HA MET A 8 -11.519 3.231 4.315 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.521 2.014 3.561 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.457 3.495 3.513 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.871 3.401 1.273 1.00 0.00 H new ATOM 0 HG3 MET A 8 -12.467 4.272 1.860 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.605 2.152 1.000 1.00 0.00 H new ATOM 0 HE2 MET A 8 -10.420 3.723 0.814 1.00 0.00 H new ATOM 0 HE3 MET A 8 -10.105 3.071 2.440 1.00 0.00 H new ATOM 83 N GLU A 9 -13.386 5.948 4.083 1.00 0.00 N ATOM 84 CA GLU A 9 -13.349 7.366 3.772 1.00 0.00 C ATOM 85 C GLU A 9 -12.375 8.090 4.703 1.00 0.00 C ATOM 86 O GLU A 9 -11.990 9.228 4.442 1.00 0.00 O ATOM 87 CB GLU A 9 -14.747 7.983 3.855 1.00 0.00 C ATOM 88 CG GLU A 9 -15.035 8.858 2.633 1.00 0.00 C ATOM 89 CD GLU A 9 -16.433 9.472 2.716 1.00 0.00 C ATOM 90 OE1 GLU A 9 -16.575 10.462 3.467 1.00 0.00 O ATOM 91 OE2 GLU A 9 -17.328 8.939 2.026 1.00 0.00 O ATOM 0 H GLU A 9 -14.303 5.595 4.357 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.996 7.483 2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.494 7.192 3.924 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.831 8.581 4.763 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.289 9.650 2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.950 8.261 1.725 1.00 0.00 H new ATOM 98 N ALA A 10 -12.004 7.399 5.772 1.00 0.00 N ATOM 99 CA ALA A 10 -11.082 7.961 6.744 1.00 0.00 C ATOM 100 C ALA A 10 -9.662 7.495 6.422 1.00 0.00 C ATOM 101 O ALA A 10 -8.721 8.287 6.457 1.00 0.00 O ATOM 102 CB ALA A 10 -11.522 7.562 8.154 1.00 0.00 C ATOM 0 H ALA A 10 -12.326 6.455 5.986 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.090 9.050 6.696 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.831 7.983 8.884 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.526 7.942 8.343 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.524 6.475 8.241 1.00 0.00 H new ATOM 108 N VAL A 11 -9.550 6.212 6.113 1.00 0.00 N ATOM 109 CA VAL A 11 -8.259 5.630 5.785 1.00 0.00 C ATOM 110 C VAL A 11 -7.657 6.378 4.593 1.00 0.00 C ATOM 111 O VAL A 11 -6.469 6.700 4.595 1.00 0.00 O ATOM 112 CB VAL A 11 -8.410 4.128 5.534 1.00 0.00 C ATOM 113 CG1 VAL A 11 -7.230 3.586 4.726 1.00 0.00 C ATOM 114 CG2 VAL A 11 -8.568 3.366 6.853 1.00 0.00 C ATOM 0 H VAL A 11 -10.332 5.558 6.083 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.567 5.738 6.621 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.316 3.975 4.947 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.362 2.517 4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.182 4.098 3.765 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.304 3.757 5.275 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.674 2.301 6.647 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -7.688 3.530 7.476 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.455 3.724 7.376 1.00 0.00 H new ATOM 124 N LEU A 12 -8.502 6.630 3.606 1.00 0.00 N ATOM 125 CA LEU A 12 -8.068 7.333 2.410 1.00 0.00 C ATOM 126 C LEU A 12 -7.823 8.805 2.750 1.00 0.00 C ATOM 127 O LEU A 12 -6.854 9.400 2.283 1.00 0.00 O ATOM 128 CB LEU A 12 -9.068 7.123 1.272 1.00 0.00 C ATOM 129 CG LEU A 12 -8.472 7.000 -0.131 1.00 0.00 C ATOM 130 CD1 LEU A 12 -7.633 5.727 -0.261 1.00 0.00 C ATOM 131 CD2 LEU A 12 -9.564 7.078 -1.201 1.00 0.00 C ATOM 0 H LEU A 12 -9.486 6.360 3.609 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.123 6.926 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.642 6.220 1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.771 7.956 1.275 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.803 7.845 -0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.221 5.664 -1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.819 5.752 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.261 4.856 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.112 6.988 -2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.277 6.267 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.081 8.035 -1.124 1.00 0.00 H new ATOM 143 N ASN A 13 -8.719 9.348 3.560 1.00 0.00 N ATOM 144 CA ASN A 13 -8.612 10.739 3.968 1.00 0.00 C ATOM 145 C ASN A 13 -7.289 10.950 4.708 1.00 0.00 C ATOM 146 O ASN A 13 -6.302 11.380 4.112 1.00 0.00 O ATOM 147 CB ASN A 13 -9.750 11.124 4.916 1.00 0.00 C ATOM 148 CG ASN A 13 -10.813 11.950 4.189 1.00 0.00 C ATOM 149 OD1 ASN A 13 -11.225 13.009 4.632 1.00 0.00 O ATOM 150 ND2 ASN A 13 -11.235 11.406 3.050 1.00 0.00 N ATOM 0 H ASN A 13 -9.522 8.851 3.945 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.663 11.357 3.072 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -10.204 10.223 5.330 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.352 11.695 5.755 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.945 11.879 2.491 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.848 10.516 2.736 1.00 0.00 H new ATOM 157 N GLU A 14 -7.312 10.635 5.995 1.00 0.00 N ATOM 158 CA GLU A 14 -6.126 10.784 6.822 1.00 0.00 C ATOM 159 C GLU A 14 -4.889 10.284 6.072 1.00 0.00 C ATOM 160 O GLU A 14 -4.992 9.410 5.214 1.00 0.00 O ATOM 161 CB GLU A 14 -6.292 10.054 8.156 1.00 0.00 C ATOM 162 CG GLU A 14 -5.947 10.970 9.330 1.00 0.00 C ATOM 163 CD GLU A 14 -4.526 10.706 9.833 1.00 0.00 C ATOM 164 OE1 GLU A 14 -3.588 11.190 9.163 1.00 0.00 O ATOM 165 OE2 GLU A 14 -4.410 10.026 10.875 1.00 0.00 O ATOM 0 H GLU A 14 -8.132 10.278 6.485 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.990 11.843 7.040 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.318 9.701 8.256 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.649 9.174 8.175 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.040 12.012 9.023 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.659 10.812 10.140 1.00 0.00 H new ATOM 172 N LEU A 15 -3.749 10.859 6.425 1.00 0.00 N ATOM 173 CA LEU A 15 -2.495 10.483 5.796 1.00 0.00 C ATOM 174 C LEU A 15 -1.529 9.965 6.865 1.00 0.00 C ATOM 175 O LEU A 15 -1.842 9.992 8.054 1.00 0.00 O ATOM 176 CB LEU A 15 -1.937 11.646 4.975 1.00 0.00 C ATOM 177 CG LEU A 15 -1.907 13.007 5.673 1.00 0.00 C ATOM 178 CD1 LEU A 15 -0.659 13.148 6.547 1.00 0.00 C ATOM 179 CD2 LEU A 15 -2.028 14.146 4.658 1.00 0.00 C ATOM 0 H LEU A 15 -3.668 11.583 7.139 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.653 9.670 5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.921 11.394 4.669 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.530 11.740 4.065 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.771 13.071 6.334 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.663 14.124 7.032 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.656 12.366 7.306 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.232 13.054 5.927 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.004 15.103 5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.197 14.096 3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.969 14.052 4.116 1.00 0.00 H new ATOM 191 N VAL A 16 -0.376 9.506 6.402 1.00 0.00 N ATOM 192 CA VAL A 16 0.636 8.983 7.304 1.00 0.00 C ATOM 193 C VAL A 16 1.378 10.148 7.961 1.00 0.00 C ATOM 194 O VAL A 16 1.466 11.234 7.391 1.00 0.00 O ATOM 195 CB VAL A 16 1.568 8.031 6.549 1.00 0.00 C ATOM 196 CG1 VAL A 16 3.003 8.559 6.543 1.00 0.00 C ATOM 197 CG2 VAL A 16 1.505 6.620 7.138 1.00 0.00 C ATOM 0 H VAL A 16 -0.120 9.485 5.415 1.00 0.00 H new ATOM 0 HA VAL A 16 0.173 8.401 8.101 1.00 0.00 H new ATOM 0 HB VAL A 16 1.227 7.978 5.515 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.644 7.864 6.000 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.030 9.534 6.056 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.359 8.656 7.569 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.176 5.964 6.584 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.808 6.649 8.185 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.486 6.241 7.066 1.00 0.00 H new ATOM 207 N SER A 17 1.894 9.883 9.153 1.00 0.00 N ATOM 208 CA SER A 17 2.626 10.896 9.894 1.00 0.00 C ATOM 209 C SER A 17 4.117 10.551 9.920 1.00 0.00 C ATOM 210 O SER A 17 4.488 9.404 10.160 1.00 0.00 O ATOM 211 CB SER A 17 2.088 11.031 11.320 1.00 0.00 C ATOM 212 OG SER A 17 0.685 10.789 11.386 1.00 0.00 O ATOM 0 H SER A 17 1.819 8.981 9.624 1.00 0.00 H new ATOM 0 HA SER A 17 2.490 11.853 9.390 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.608 10.329 11.972 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.301 12.032 11.695 1.00 0.00 H new ATOM 0 HG SER A 17 0.380 10.883 12.313 1.00 0.00 H new ATOM 218 N VAL A 18 4.929 11.566 9.666 1.00 0.00 N ATOM 219 CA VAL A 18 6.372 11.386 9.656 1.00 0.00 C ATOM 220 C VAL A 18 6.785 10.560 10.876 1.00 0.00 C ATOM 221 O VAL A 18 7.666 9.707 10.783 1.00 0.00 O ATOM 222 CB VAL A 18 7.069 12.745 9.591 1.00 0.00 C ATOM 223 CG1 VAL A 18 8.589 12.581 9.543 1.00 0.00 C ATOM 224 CG2 VAL A 18 6.568 13.562 8.397 1.00 0.00 C ATOM 0 H VAL A 18 4.616 12.516 9.465 1.00 0.00 H new ATOM 0 HA VAL A 18 6.682 10.835 8.768 1.00 0.00 H new ATOM 0 HB VAL A 18 6.820 13.292 10.500 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.060 13.563 9.497 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.927 12.058 10.438 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.865 12.005 8.660 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.080 14.524 8.374 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.773 13.020 7.474 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.494 13.724 8.492 1.00 0.00 H new ATOM 234 N GLU A 19 6.130 10.842 11.992 1.00 0.00 N ATOM 235 CA GLU A 19 6.419 10.137 13.230 1.00 0.00 C ATOM 236 C GLU A 19 6.282 8.627 13.023 1.00 0.00 C ATOM 237 O GLU A 19 7.190 7.866 13.353 1.00 0.00 O ATOM 238 CB GLU A 19 5.511 10.621 14.362 1.00 0.00 C ATOM 239 CG GLU A 19 6.281 11.512 15.339 1.00 0.00 C ATOM 240 CD GLU A 19 5.934 12.987 15.126 1.00 0.00 C ATOM 241 OE1 GLU A 19 4.964 13.440 15.773 1.00 0.00 O ATOM 242 OE2 GLU A 19 6.645 13.627 14.323 1.00 0.00 O ATOM 0 H GLU A 19 5.399 11.550 12.065 1.00 0.00 H new ATOM 0 HA GLU A 19 7.448 10.353 13.518 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.669 11.174 13.946 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.098 9.764 14.894 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.045 11.223 16.363 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.353 11.364 15.205 1.00 0.00 H new ATOM 249 N ASP A 20 5.138 8.238 12.479 1.00 0.00 N ATOM 250 CA ASP A 20 4.870 6.832 12.226 1.00 0.00 C ATOM 251 C ASP A 20 5.830 6.320 11.150 1.00 0.00 C ATOM 252 O ASP A 20 6.542 5.341 11.364 1.00 0.00 O ATOM 253 CB ASP A 20 3.440 6.628 11.720 1.00 0.00 C ATOM 254 CG ASP A 20 2.400 6.363 12.810 1.00 0.00 C ATOM 255 OD1 ASP A 20 2.725 5.575 13.725 1.00 0.00 O ATOM 256 OD2 ASP A 20 1.304 6.955 12.705 1.00 0.00 O ATOM 0 H ASP A 20 4.386 8.871 12.206 1.00 0.00 H new ATOM 0 HA ASP A 20 5.003 6.289 13.161 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.139 7.513 11.159 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.434 5.791 11.022 1.00 0.00 H new ATOM 261 N LEU A 21 5.819 7.007 10.017 1.00 0.00 N ATOM 262 CA LEU A 21 6.680 6.634 8.908 1.00 0.00 C ATOM 263 C LEU A 21 8.107 6.433 9.421 1.00 0.00 C ATOM 264 O LEU A 21 8.796 5.504 9.001 1.00 0.00 O ATOM 265 CB LEU A 21 6.572 7.660 7.777 1.00 0.00 C ATOM 266 CG LEU A 21 7.111 7.217 6.416 1.00 0.00 C ATOM 267 CD1 LEU A 21 8.633 7.069 6.450 1.00 0.00 C ATOM 268 CD2 LEU A 21 6.422 5.935 5.944 1.00 0.00 C ATOM 0 H LEU A 21 5.227 7.820 9.843 1.00 0.00 H new ATOM 0 HA LEU A 21 6.358 5.685 8.479 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.523 7.932 7.659 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.103 8.562 8.080 1.00 0.00 H new ATOM 0 HG LEU A 21 6.879 7.995 5.688 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.990 6.753 5.470 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.086 8.026 6.710 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.909 6.322 7.195 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.824 5.642 4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.601 5.139 6.666 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.350 6.110 5.855 1.00 0.00 H new ATOM 280 N LYS A 22 8.509 7.318 10.321 1.00 0.00 N ATOM 281 CA LYS A 22 9.842 7.250 10.895 1.00 0.00 C ATOM 282 C LYS A 22 9.971 5.968 11.721 1.00 0.00 C ATOM 283 O LYS A 22 10.946 5.231 11.582 1.00 0.00 O ATOM 284 CB LYS A 22 10.151 8.523 11.685 1.00 0.00 C ATOM 285 CG LYS A 22 10.806 9.578 10.789 1.00 0.00 C ATOM 286 CD LYS A 22 12.308 9.675 11.064 1.00 0.00 C ATOM 287 CE LYS A 22 12.877 10.995 10.541 1.00 0.00 C ATOM 288 NZ LYS A 22 13.380 11.822 11.660 1.00 0.00 N ATOM 0 H LYS A 22 7.935 8.087 10.667 1.00 0.00 H new ATOM 0 HA LYS A 22 10.594 7.201 10.107 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.231 8.923 12.112 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.813 8.287 12.518 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.640 9.325 9.742 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.338 10.547 10.961 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.491 9.595 12.136 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.823 8.840 10.590 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.685 10.796 9.837 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.106 11.540 9.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.763 12.714 11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.601 12.027 12.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.130 11.307 12.163 1.00 0.00 H new ATOM 302 N ASN A 23 8.973 5.741 12.562 1.00 0.00 N ATOM 303 CA ASN A 23 8.962 4.561 13.410 1.00 0.00 C ATOM 304 C ASN A 23 9.032 3.308 12.534 1.00 0.00 C ATOM 305 O ASN A 23 9.900 2.459 12.729 1.00 0.00 O ATOM 306 CB ASN A 23 7.677 4.489 14.238 1.00 0.00 C ATOM 307 CG ASN A 23 7.895 5.063 15.640 1.00 0.00 C ATOM 308 OD1 ASN A 23 8.757 5.895 15.871 1.00 0.00 O ATOM 309 ND2 ASN A 23 7.068 4.573 16.559 1.00 0.00 N ATOM 0 H ASN A 23 8.166 6.354 12.674 1.00 0.00 H new ATOM 0 HA ASN A 23 9.819 4.620 14.080 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.884 5.042 13.734 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.346 3.453 14.313 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.133 4.892 17.526 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.369 3.878 16.297 1.00 0.00 H new ATOM 316 N PHE A 24 8.106 3.234 11.590 1.00 0.00 N ATOM 317 CA PHE A 24 8.051 2.099 10.684 1.00 0.00 C ATOM 318 C PHE A 24 9.266 2.081 9.753 1.00 0.00 C ATOM 319 O PHE A 24 9.645 1.029 9.241 1.00 0.00 O ATOM 320 CB PHE A 24 6.783 2.259 9.844 1.00 0.00 C ATOM 321 CG PHE A 24 5.509 1.779 10.542 1.00 0.00 C ATOM 322 CD1 PHE A 24 4.986 2.497 11.572 1.00 0.00 C ATOM 323 CD2 PHE A 24 4.900 0.634 10.134 1.00 0.00 C ATOM 324 CE1 PHE A 24 3.804 2.052 12.221 1.00 0.00 C ATOM 325 CE2 PHE A 24 3.717 0.188 10.783 1.00 0.00 C ATOM 326 CZ PHE A 24 3.195 0.908 11.813 1.00 0.00 C ATOM 0 H PHE A 24 7.388 3.941 11.433 1.00 0.00 H new ATOM 0 HA PHE A 24 8.048 1.169 11.252 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.666 3.310 9.579 1.00 0.00 H new ATOM 0 HB3 PHE A 24 6.905 1.706 8.912 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.470 3.406 11.896 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.315 0.063 9.317 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.389 2.623 13.039 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.233 -0.721 10.459 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.296 0.570 12.307 1.00 0.00 H new ATOM 336 N GLU A 25 9.844 3.259 9.564 1.00 0.00 N ATOM 337 CA GLU A 25 11.008 3.391 8.705 1.00 0.00 C ATOM 338 C GLU A 25 12.246 2.818 9.397 1.00 0.00 C ATOM 339 O GLU A 25 13.012 2.071 8.788 1.00 0.00 O ATOM 340 CB GLU A 25 11.231 4.851 8.304 1.00 0.00 C ATOM 341 CG GLU A 25 12.674 5.082 7.854 1.00 0.00 C ATOM 342 CD GLU A 25 12.831 6.458 7.202 1.00 0.00 C ATOM 343 OE1 GLU A 25 12.496 7.450 7.885 1.00 0.00 O ATOM 344 OE2 GLU A 25 13.282 6.486 6.037 1.00 0.00 O ATOM 0 H GLU A 25 9.528 4.130 9.991 1.00 0.00 H new ATOM 0 HA GLU A 25 10.829 2.821 7.793 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.548 5.119 7.498 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.001 5.503 9.147 1.00 0.00 H new ATOM 0 HG2 GLU A 25 13.343 5.003 8.711 1.00 0.00 H new ATOM 0 HG3 GLU A 25 12.967 4.305 7.148 1.00 0.00 H new ATOM 351 N ARG A 26 12.406 3.190 10.658 1.00 0.00 N ATOM 352 CA ARG A 26 13.538 2.721 11.439 1.00 0.00 C ATOM 353 C ARG A 26 13.551 1.193 11.493 1.00 0.00 C ATOM 354 O ARG A 26 14.612 0.575 11.430 1.00 0.00 O ATOM 355 CB ARG A 26 13.490 3.275 12.865 1.00 0.00 C ATOM 356 CG ARG A 26 13.858 2.195 13.885 1.00 0.00 C ATOM 357 CD ARG A 26 14.140 2.810 15.257 1.00 0.00 C ATOM 358 NE ARG A 26 13.076 2.428 16.212 1.00 0.00 N ATOM 359 CZ ARG A 26 13.142 2.638 17.534 1.00 0.00 C ATOM 360 NH1 ARG A 26 14.221 3.228 18.065 1.00 0.00 N ATOM 361 NH2 ARG A 26 12.128 2.258 18.324 1.00 0.00 N ATOM 0 H ARG A 26 11.770 3.811 11.159 1.00 0.00 H new ATOM 0 HA ARG A 26 14.446 3.077 10.953 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.178 4.116 12.956 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.491 3.656 13.078 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.045 1.474 13.966 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.736 1.648 13.540 1.00 0.00 H new ATOM 0 HD2 ARG A 26 15.109 2.471 15.624 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.193 3.896 15.174 1.00 0.00 H new ATOM 0 HE ARG A 26 12.240 1.977 15.841 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.992 3.517 17.463 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.272 3.388 19.071 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.306 1.809 17.919 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.178 2.418 19.330 1.00 0.00 H new ATOM 375 N LYS A 27 12.359 0.627 11.609 1.00 0.00 N ATOM 376 CA LYS A 27 12.219 -0.818 11.672 1.00 0.00 C ATOM 377 C LYS A 27 12.713 -1.432 10.360 1.00 0.00 C ATOM 378 O LYS A 27 13.589 -2.295 10.366 1.00 0.00 O ATOM 379 CB LYS A 27 10.781 -1.202 12.026 1.00 0.00 C ATOM 380 CG LYS A 27 10.753 -2.389 12.992 1.00 0.00 C ATOM 381 CD LYS A 27 9.702 -2.183 14.084 1.00 0.00 C ATOM 382 CE LYS A 27 9.695 -3.357 15.066 1.00 0.00 C ATOM 383 NZ LYS A 27 9.399 -2.884 16.437 1.00 0.00 N ATOM 0 H LYS A 27 11.481 1.143 11.661 1.00 0.00 H new ATOM 0 HA LYS A 27 12.840 -1.226 12.470 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.273 -0.349 12.477 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.234 -1.455 11.118 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.536 -3.305 12.442 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.735 -2.515 13.447 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.906 -1.257 14.621 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.717 -2.078 13.630 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.950 -4.091 14.759 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.662 -3.859 15.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.398 -3.693 17.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.125 -2.201 16.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.466 -2.426 16.452 1.00 0.00 H new ATOM 397 N PHE A 28 12.131 -0.960 9.267 1.00 0.00 N ATOM 398 CA PHE A 28 12.501 -1.452 7.951 1.00 0.00 C ATOM 399 C PHE A 28 14.019 -1.432 7.766 1.00 0.00 C ATOM 400 O PHE A 28 14.630 -2.465 7.495 1.00 0.00 O ATOM 401 CB PHE A 28 11.861 -0.513 6.926 1.00 0.00 C ATOM 402 CG PHE A 28 11.912 -1.034 5.489 1.00 0.00 C ATOM 403 CD1 PHE A 28 10.995 -1.944 5.063 1.00 0.00 C ATOM 404 CD2 PHE A 28 12.872 -0.586 4.637 1.00 0.00 C ATOM 405 CE1 PHE A 28 11.042 -2.427 3.729 1.00 0.00 C ATOM 406 CE2 PHE A 28 12.918 -1.069 3.302 1.00 0.00 C ATOM 407 CZ PHE A 28 12.002 -1.979 2.877 1.00 0.00 C ATOM 0 H PHE A 28 11.406 -0.242 9.266 1.00 0.00 H new ATOM 0 HA PHE A 28 12.160 -2.480 7.828 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.821 -0.343 7.204 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.364 0.453 6.970 1.00 0.00 H new ATOM 0 HD1 PHE A 28 10.232 -2.299 5.739 1.00 0.00 H new ATOM 0 HD2 PHE A 28 13.600 0.137 4.975 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.315 -3.151 3.391 1.00 0.00 H new ATOM 0 HE2 PHE A 28 13.680 -0.713 2.625 1.00 0.00 H new ATOM 0 HZ PHE A 28 12.037 -2.346 1.862 1.00 0.00 H new ATOM 417 N GLN A 29 14.587 -0.244 7.919 1.00 0.00 N ATOM 418 CA GLN A 29 16.022 -0.075 7.772 1.00 0.00 C ATOM 419 C GLN A 29 16.768 -1.038 8.698 1.00 0.00 C ATOM 420 O GLN A 29 17.434 -1.962 8.233 1.00 0.00 O ATOM 421 CB GLN A 29 16.434 1.373 8.040 1.00 0.00 C ATOM 422 CG GLN A 29 16.048 2.279 6.870 1.00 0.00 C ATOM 423 CD GLN A 29 16.673 3.668 7.022 1.00 0.00 C ATOM 424 OE1 GLN A 29 17.850 3.819 7.306 1.00 0.00 O ATOM 425 NE2 GLN A 29 15.824 4.669 6.816 1.00 0.00 N ATOM 0 H GLN A 29 14.078 0.611 8.143 1.00 0.00 H new ATOM 0 HA GLN A 29 16.292 -0.310 6.742 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.955 1.728 8.953 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.510 1.424 8.204 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.377 1.829 5.933 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.963 2.368 6.817 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.851 4.472 6.581 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.145 5.634 6.893 1.00 0.00 H new ATOM 434 N SER A 30 16.630 -0.789 9.992 1.00 0.00 N ATOM 435 CA SER A 30 17.282 -1.622 10.988 1.00 0.00 C ATOM 436 C SER A 30 17.147 -3.098 10.606 1.00 0.00 C ATOM 437 O SER A 30 18.147 -3.803 10.476 1.00 0.00 O ATOM 438 CB SER A 30 16.696 -1.379 12.380 1.00 0.00 C ATOM 439 OG SER A 30 17.653 -1.604 13.411 1.00 0.00 O ATOM 0 H SER A 30 16.076 -0.022 10.374 1.00 0.00 H new ATOM 0 HA SER A 30 18.339 -1.355 11.017 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.328 -0.355 12.444 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.839 -2.035 12.532 1.00 0.00 H new ATOM 0 HG SER A 30 17.239 -1.436 14.283 1.00 0.00 H new ATOM 445 N GLU A 31 15.904 -3.520 10.435 1.00 0.00 N ATOM 446 CA GLU A 31 15.625 -4.899 10.069 1.00 0.00 C ATOM 447 C GLU A 31 16.486 -5.316 8.875 1.00 0.00 C ATOM 448 O GLU A 31 16.912 -6.466 8.785 1.00 0.00 O ATOM 449 CB GLU A 31 14.138 -5.096 9.768 1.00 0.00 C ATOM 450 CG GLU A 31 13.310 -5.077 11.055 1.00 0.00 C ATOM 451 CD GLU A 31 13.341 -6.442 11.746 1.00 0.00 C ATOM 452 OE1 GLU A 31 13.302 -7.451 11.011 1.00 0.00 O ATOM 453 OE2 GLU A 31 13.402 -6.444 12.995 1.00 0.00 O ATOM 0 H GLU A 31 15.078 -2.932 10.543 1.00 0.00 H new ATOM 0 HA GLU A 31 15.879 -5.537 10.915 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.792 -4.310 9.097 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.991 -6.044 9.251 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.698 -4.314 11.730 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.280 -4.805 10.825 1.00 0.00 H new ATOM 460 N GLN A 32 16.718 -4.358 7.990 1.00 0.00 N ATOM 461 CA GLN A 32 17.520 -4.611 6.806 1.00 0.00 C ATOM 462 C GLN A 32 18.951 -4.979 7.203 1.00 0.00 C ATOM 463 O GLN A 32 19.430 -6.065 6.879 1.00 0.00 O ATOM 464 CB GLN A 32 17.505 -3.405 5.864 1.00 0.00 C ATOM 465 CG GLN A 32 17.600 -3.850 4.403 1.00 0.00 C ATOM 466 CD GLN A 32 17.443 -2.657 3.457 1.00 0.00 C ATOM 467 OE1 GLN A 32 16.543 -1.843 3.587 1.00 0.00 O ATOM 468 NE2 GLN A 32 18.364 -2.601 2.500 1.00 0.00 N ATOM 0 H GLN A 32 16.364 -3.405 8.070 1.00 0.00 H new ATOM 0 HA GLN A 32 17.084 -5.454 6.270 1.00 0.00 H new ATOM 0 HB2 GLN A 32 16.590 -2.832 6.015 1.00 0.00 H new ATOM 0 HB3 GLN A 32 18.338 -2.743 6.101 1.00 0.00 H new ATOM 0 HG2 GLN A 32 18.561 -4.334 4.228 1.00 0.00 H new ATOM 0 HG3 GLN A 32 16.827 -4.590 4.193 1.00 0.00 H new ATOM 0 HE21 GLN A 32 19.090 -3.315 2.449 1.00 0.00 H new ATOM 0 HE22 GLN A 32 18.345 -1.844 1.817 1.00 0.00 H new ATOM 477 N ALA A 33 19.594 -4.053 7.901 1.00 0.00 N ATOM 478 CA ALA A 33 20.961 -4.266 8.346 1.00 0.00 C ATOM 479 C ALA A 33 20.987 -5.397 9.377 1.00 0.00 C ATOM 480 O ALA A 33 22.055 -5.890 9.735 1.00 0.00 O ATOM 481 CB ALA A 33 21.527 -2.958 8.901 1.00 0.00 C ATOM 0 H ALA A 33 19.193 -3.154 8.169 1.00 0.00 H new ATOM 0 HA ALA A 33 21.594 -4.567 7.511 1.00 0.00 H new ATOM 0 HB1 ALA A 33 22.552 -3.118 9.235 1.00 0.00 H new ATOM 0 HB2 ALA A 33 21.514 -2.196 8.122 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.919 -2.627 9.743 1.00 0.00 H new ATOM 487 N ALA A 34 19.798 -5.773 9.824 1.00 0.00 N ATOM 488 CA ALA A 34 19.670 -6.836 10.807 1.00 0.00 C ATOM 489 C ALA A 34 19.999 -8.177 10.146 1.00 0.00 C ATOM 490 O ALA A 34 20.571 -9.061 10.782 1.00 0.00 O ATOM 491 CB ALA A 34 18.263 -6.811 11.407 1.00 0.00 C ATOM 0 H ALA A 34 18.915 -5.361 9.524 1.00 0.00 H new ATOM 0 HA ALA A 34 20.375 -6.689 11.625 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.168 -7.608 12.144 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.090 -5.849 11.889 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.528 -6.958 10.616 1.00 0.00 H new ATOM 497 N GLY A 35 19.623 -8.284 8.881 1.00 0.00 N ATOM 498 CA GLY A 35 19.871 -9.502 8.128 1.00 0.00 C ATOM 499 C GLY A 35 18.889 -9.636 6.962 1.00 0.00 C ATOM 500 O GLY A 35 19.230 -10.191 5.919 1.00 0.00 O ATOM 0 H GLY A 35 19.149 -7.548 8.358 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.893 -9.497 7.749 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.779 -10.366 8.786 1.00 0.00 H new ATOM 504 N SER A 36 17.689 -9.117 7.179 1.00 0.00 N ATOM 505 CA SER A 36 16.655 -9.171 6.159 1.00 0.00 C ATOM 506 C SER A 36 15.342 -8.616 6.715 1.00 0.00 C ATOM 507 O SER A 36 14.895 -9.024 7.785 1.00 0.00 O ATOM 508 CB SER A 36 16.454 -10.602 5.654 1.00 0.00 C ATOM 509 OG SER A 36 17.213 -10.863 4.476 1.00 0.00 O ATOM 0 H SER A 36 17.410 -8.657 8.046 1.00 0.00 H new ATOM 0 HA SER A 36 16.974 -8.558 5.316 1.00 0.00 H new ATOM 0 HB2 SER A 36 16.742 -11.306 6.435 1.00 0.00 H new ATOM 0 HB3 SER A 36 15.397 -10.769 5.449 1.00 0.00 H new ATOM 0 HG SER A 36 18.143 -10.589 4.619 1.00 0.00 H new ATOM 515 N VAL A 37 14.762 -7.692 5.962 1.00 0.00 N ATOM 516 CA VAL A 37 13.510 -7.077 6.367 1.00 0.00 C ATOM 517 C VAL A 37 12.391 -8.118 6.305 1.00 0.00 C ATOM 518 O VAL A 37 12.238 -8.811 5.300 1.00 0.00 O ATOM 519 CB VAL A 37 13.230 -5.845 5.501 1.00 0.00 C ATOM 520 CG1 VAL A 37 11.794 -5.353 5.699 1.00 0.00 C ATOM 521 CG2 VAL A 37 14.237 -4.731 5.791 1.00 0.00 C ATOM 0 H VAL A 37 15.136 -7.355 5.075 1.00 0.00 H new ATOM 0 HA VAL A 37 13.571 -6.728 7.398 1.00 0.00 H new ATOM 0 HB VAL A 37 13.344 -6.135 4.457 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.620 -4.478 5.073 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.097 -6.143 5.420 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.641 -5.088 6.745 1.00 0.00 H new ATOM 0 HG21 VAL A 37 14.016 -3.868 5.163 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.169 -4.443 6.840 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.245 -5.087 5.577 1.00 0.00 H new ATOM 531 N SER A 38 11.637 -8.195 7.391 1.00 0.00 N ATOM 532 CA SER A 38 10.536 -9.140 7.473 1.00 0.00 C ATOM 533 C SER A 38 9.326 -8.602 6.706 1.00 0.00 C ATOM 534 O SER A 38 9.115 -7.392 6.643 1.00 0.00 O ATOM 535 CB SER A 38 10.160 -9.422 8.929 1.00 0.00 C ATOM 536 OG SER A 38 11.251 -9.965 9.667 1.00 0.00 O ATOM 0 H SER A 38 11.767 -7.618 8.222 1.00 0.00 H new ATOM 0 HA SER A 38 10.856 -10.079 7.021 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.826 -8.499 9.402 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.321 -10.117 8.959 1.00 0.00 H new ATOM 0 HG SER A 38 10.971 -10.129 10.592 1.00 0.00 H new ATOM 542 N LYS A 39 8.563 -9.528 6.144 1.00 0.00 N ATOM 543 CA LYS A 39 7.380 -9.162 5.384 1.00 0.00 C ATOM 544 C LYS A 39 6.576 -8.125 6.170 1.00 0.00 C ATOM 545 O LYS A 39 6.270 -7.049 5.655 1.00 0.00 O ATOM 546 CB LYS A 39 6.576 -10.409 5.011 1.00 0.00 C ATOM 547 CG LYS A 39 7.360 -11.296 4.041 1.00 0.00 C ATOM 548 CD LYS A 39 6.416 -12.161 3.203 1.00 0.00 C ATOM 549 CE LYS A 39 6.651 -13.648 3.472 1.00 0.00 C ATOM 550 NZ LYS A 39 6.215 -14.002 4.841 1.00 0.00 N ATOM 0 H LYS A 39 8.741 -10.531 6.200 1.00 0.00 H new ATOM 0 HA LYS A 39 7.662 -8.698 4.439 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.335 -10.973 5.912 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.630 -10.114 4.557 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.968 -10.674 3.384 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.045 -11.935 4.599 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.382 -11.905 3.433 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.568 -11.951 2.144 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.104 -14.246 2.744 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.708 -13.883 3.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.366 -15.018 5.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.767 -13.457 5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.205 -13.780 4.952 1.00 0.00 H new ATOM 564 N SER A 40 6.254 -8.482 7.404 1.00 0.00 N ATOM 565 CA SER A 40 5.490 -7.597 8.266 1.00 0.00 C ATOM 566 C SER A 40 5.956 -6.152 8.075 1.00 0.00 C ATOM 567 O SER A 40 5.190 -5.305 7.616 1.00 0.00 O ATOM 568 CB SER A 40 5.624 -8.006 9.735 1.00 0.00 C ATOM 569 OG SER A 40 4.435 -8.615 10.229 1.00 0.00 O ATOM 0 H SER A 40 6.509 -9.374 7.828 1.00 0.00 H new ATOM 0 HA SER A 40 4.439 -7.675 7.989 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.459 -8.699 9.844 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.858 -7.127 10.336 1.00 0.00 H new ATOM 0 HG SER A 40 4.561 -8.863 11.169 1.00 0.00 H new ATOM 575 N THR A 41 7.208 -5.914 8.436 1.00 0.00 N ATOM 576 CA THR A 41 7.784 -4.585 8.309 1.00 0.00 C ATOM 577 C THR A 41 7.641 -4.078 6.873 1.00 0.00 C ATOM 578 O THR A 41 7.325 -2.909 6.652 1.00 0.00 O ATOM 579 CB THR A 41 9.235 -4.653 8.789 1.00 0.00 C ATOM 580 OG1 THR A 41 9.139 -5.158 10.117 1.00 0.00 O ATOM 581 CG2 THR A 41 9.859 -3.266 8.962 1.00 0.00 C ATOM 0 H THR A 41 7.840 -6.618 8.816 1.00 0.00 H new ATOM 0 HA THR A 41 7.255 -3.862 8.929 1.00 0.00 H new ATOM 0 HB THR A 41 9.825 -5.232 8.079 1.00 0.00 H new ATOM 0 HG1 THR A 41 10.036 -5.235 10.503 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.889 -3.370 9.304 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.845 -2.739 8.008 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.288 -2.699 9.698 1.00 0.00 H new ATOM 589 N GLN A 42 7.881 -4.980 5.933 1.00 0.00 N ATOM 590 CA GLN A 42 7.784 -4.637 4.524 1.00 0.00 C ATOM 591 C GLN A 42 6.411 -4.034 4.218 1.00 0.00 C ATOM 592 O GLN A 42 6.310 -2.858 3.874 1.00 0.00 O ATOM 593 CB GLN A 42 8.054 -5.859 3.643 1.00 0.00 C ATOM 594 CG GLN A 42 8.319 -5.442 2.195 1.00 0.00 C ATOM 595 CD GLN A 42 9.222 -6.457 1.489 1.00 0.00 C ATOM 596 OE1 GLN A 42 9.699 -7.415 2.075 1.00 0.00 O ATOM 597 NE2 GLN A 42 9.430 -6.192 0.202 1.00 0.00 N ATOM 0 H GLN A 42 8.142 -5.948 6.119 1.00 0.00 H new ATOM 0 HA GLN A 42 8.546 -3.891 4.298 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.912 -6.409 4.030 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.200 -6.535 3.680 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.374 -5.356 1.659 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.787 -4.458 2.176 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.000 -5.372 -0.226 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.020 -6.809 -0.357 1.00 0.00 H new ATOM 606 N PHE A 43 5.390 -4.867 4.356 1.00 0.00 N ATOM 607 CA PHE A 43 4.028 -4.430 4.099 1.00 0.00 C ATOM 608 C PHE A 43 3.633 -3.288 5.037 1.00 0.00 C ATOM 609 O PHE A 43 2.984 -2.330 4.616 1.00 0.00 O ATOM 610 CB PHE A 43 3.117 -5.629 4.363 1.00 0.00 C ATOM 611 CG PHE A 43 1.721 -5.253 4.866 1.00 0.00 C ATOM 612 CD1 PHE A 43 0.723 -5.000 3.978 1.00 0.00 C ATOM 613 CD2 PHE A 43 1.480 -5.169 6.203 1.00 0.00 C ATOM 614 CE1 PHE A 43 -0.572 -4.650 4.445 1.00 0.00 C ATOM 615 CE2 PHE A 43 0.185 -4.819 6.669 1.00 0.00 C ATOM 616 CZ PHE A 43 -0.813 -4.566 5.780 1.00 0.00 C ATOM 0 H PHE A 43 5.478 -5.842 4.642 1.00 0.00 H new ATOM 0 HA PHE A 43 3.940 -4.070 3.074 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.017 -6.206 3.443 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.593 -6.279 5.097 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.915 -5.065 2.917 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.273 -5.368 6.909 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.365 -4.451 3.739 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.008 -4.754 7.730 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.797 -4.298 6.135 1.00 0.00 H new ATOM 626 N GLU A 44 4.040 -3.425 6.291 1.00 0.00 N ATOM 627 CA GLU A 44 3.736 -2.417 7.292 1.00 0.00 C ATOM 628 C GLU A 44 4.249 -1.048 6.838 1.00 0.00 C ATOM 629 O GLU A 44 3.460 -0.164 6.507 1.00 0.00 O ATOM 630 CB GLU A 44 4.323 -2.800 8.651 1.00 0.00 C ATOM 631 CG GLU A 44 3.499 -3.907 9.312 1.00 0.00 C ATOM 632 CD GLU A 44 2.564 -3.333 10.379 1.00 0.00 C ATOM 633 OE1 GLU A 44 1.544 -2.733 9.977 1.00 0.00 O ATOM 634 OE2 GLU A 44 2.892 -3.506 11.573 1.00 0.00 O ATOM 0 H GLU A 44 4.578 -4.220 6.636 1.00 0.00 H new ATOM 0 HA GLU A 44 2.653 -2.359 7.405 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.353 -3.134 8.525 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.349 -1.924 9.300 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.915 -4.431 8.556 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.166 -4.641 9.765 1.00 0.00 H new ATOM 641 N TYR A 45 5.568 -0.917 6.839 1.00 0.00 N ATOM 642 CA TYR A 45 6.195 0.329 6.432 1.00 0.00 C ATOM 643 C TYR A 45 5.651 0.802 5.082 1.00 0.00 C ATOM 644 O TYR A 45 5.569 2.003 4.827 1.00 0.00 O ATOM 645 CB TYR A 45 7.687 0.023 6.289 1.00 0.00 C ATOM 646 CG TYR A 45 8.469 1.085 5.513 1.00 0.00 C ATOM 647 CD1 TYR A 45 8.579 2.365 6.017 1.00 0.00 C ATOM 648 CD2 TYR A 45 9.065 0.764 4.311 1.00 0.00 C ATOM 649 CE1 TYR A 45 9.315 3.366 5.288 1.00 0.00 C ATOM 650 CE2 TYR A 45 9.801 1.764 3.582 1.00 0.00 C ATOM 651 CZ TYR A 45 9.890 3.015 4.107 1.00 0.00 C ATOM 652 OH TYR A 45 10.585 3.960 3.418 1.00 0.00 O ATOM 0 H TYR A 45 6.219 -1.652 7.115 1.00 0.00 H new ATOM 0 HA TYR A 45 5.997 1.114 7.162 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.123 -0.081 7.283 1.00 0.00 H new ATOM 0 HB3 TYR A 45 7.804 -0.938 5.788 1.00 0.00 H new ATOM 0 HD1 TYR A 45 8.113 2.616 6.958 1.00 0.00 H new ATOM 0 HD2 TYR A 45 8.980 -0.238 3.917 1.00 0.00 H new ATOM 0 HE1 TYR A 45 9.408 4.372 5.671 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.272 1.526 2.640 1.00 0.00 H new ATOM 0 HH TYR A 45 10.941 3.568 2.594 1.00 0.00 H new ATOM 662 N ALA A 46 5.295 -0.167 4.251 1.00 0.00 N ATOM 663 CA ALA A 46 4.763 0.135 2.934 1.00 0.00 C ATOM 664 C ALA A 46 3.387 0.788 3.081 1.00 0.00 C ATOM 665 O ALA A 46 3.069 1.741 2.372 1.00 0.00 O ATOM 666 CB ALA A 46 4.713 -1.147 2.097 1.00 0.00 C ATOM 0 H ALA A 46 5.365 -1.162 4.465 1.00 0.00 H new ATOM 0 HA ALA A 46 5.409 0.841 2.412 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.314 -0.921 1.108 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.718 -1.556 1.997 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.071 -1.878 2.589 1.00 0.00 H new ATOM 672 N TRP A 47 2.609 0.250 4.009 1.00 0.00 N ATOM 673 CA TRP A 47 1.276 0.769 4.260 1.00 0.00 C ATOM 674 C TRP A 47 1.414 2.206 4.764 1.00 0.00 C ATOM 675 O TRP A 47 0.567 3.052 4.482 1.00 0.00 O ATOM 676 CB TRP A 47 0.509 -0.133 5.229 1.00 0.00 C ATOM 677 CG TRP A 47 -0.888 0.380 5.585 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.403 0.595 6.803 1.00 0.00 C ATOM 679 CD2 TRP A 47 -1.935 0.736 4.657 1.00 0.00 C ATOM 680 NE1 TRP A 47 -2.700 1.061 6.729 1.00 0.00 N ATOM 681 CE2 TRP A 47 -3.033 1.150 5.382 1.00 0.00 C ATOM 682 CE3 TRP A 47 -1.953 0.710 3.251 1.00 0.00 C ATOM 683 CZ2 TRP A 47 -4.230 1.569 4.789 1.00 0.00 C ATOM 684 CZ3 TRP A 47 -3.156 1.131 2.673 1.00 0.00 C ATOM 685 CH2 TRP A 47 -4.271 1.550 3.390 1.00 0.00 C ATOM 0 H TRP A 47 2.877 -0.540 4.596 1.00 0.00 H new ATOM 0 HA TRP A 47 0.688 0.777 3.343 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.419 -1.127 4.790 1.00 0.00 H new ATOM 0 HB3 TRP A 47 1.089 -0.241 6.145 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -0.870 0.425 7.727 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.303 1.297 7.517 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.105 0.390 2.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.076 1.890 5.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.223 1.130 1.595 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.165 1.860 2.870 1.00 0.00 H new ATOM 696 N CYS A 48 2.490 2.440 5.502 1.00 0.00 N ATOM 697 CA CYS A 48 2.751 3.761 6.048 1.00 0.00 C ATOM 698 C CYS A 48 3.109 4.696 4.892 1.00 0.00 C ATOM 699 O CYS A 48 2.812 5.889 4.939 1.00 0.00 O ATOM 700 CB CYS A 48 3.848 3.725 7.114 1.00 0.00 C ATOM 701 SG CYS A 48 3.390 2.555 8.445 1.00 0.00 S ATOM 0 H CYS A 48 3.191 1.737 5.734 1.00 0.00 H new ATOM 0 HA CYS A 48 1.858 4.133 6.551 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.794 3.424 6.664 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.995 4.722 7.530 1.00 0.00 H new ATOM 0 HG CYS A 48 4.437 2.288 9.167 1.00 0.00 H new ATOM 707 N LEU A 49 3.743 4.120 3.882 1.00 0.00 N ATOM 708 CA LEU A 49 4.145 4.889 2.715 1.00 0.00 C ATOM 709 C LEU A 49 2.901 5.286 1.918 1.00 0.00 C ATOM 710 O LEU A 49 2.729 6.454 1.571 1.00 0.00 O ATOM 711 CB LEU A 49 5.180 4.115 1.895 1.00 0.00 C ATOM 712 CG LEU A 49 6.637 4.271 2.334 1.00 0.00 C ATOM 713 CD1 LEU A 49 7.544 3.294 1.584 1.00 0.00 C ATOM 714 CD2 LEU A 49 7.104 5.721 2.177 1.00 0.00 C ATOM 0 H LEU A 49 3.989 3.131 3.847 1.00 0.00 H new ATOM 0 HA LEU A 49 4.638 5.813 3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.923 3.056 1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.099 4.430 0.855 1.00 0.00 H new ATOM 0 HG LEU A 49 6.703 4.023 3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.574 3.426 1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.226 2.272 1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.480 3.487 0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.143 5.805 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.020 6.019 1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.482 6.372 2.791 1.00 0.00 H new ATOM 726 N VAL A 50 2.066 4.292 1.651 1.00 0.00 N ATOM 727 CA VAL A 50 0.843 4.524 0.901 1.00 0.00 C ATOM 728 C VAL A 50 -0.125 5.348 1.754 1.00 0.00 C ATOM 729 O VAL A 50 -1.250 4.922 2.007 1.00 0.00 O ATOM 730 CB VAL A 50 0.249 3.190 0.443 1.00 0.00 C ATOM 731 CG1 VAL A 50 1.167 2.501 -0.568 1.00 0.00 C ATOM 732 CG2 VAL A 50 -0.035 2.278 1.637 1.00 0.00 C ATOM 0 H VAL A 50 2.212 3.325 1.940 1.00 0.00 H new ATOM 0 HA VAL A 50 1.052 5.099 -0.001 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.700 3.397 -0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.722 1.555 -0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.296 3.144 -1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.137 2.312 -0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.457 1.337 1.284 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.893 2.081 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.744 2.765 2.306 1.00 0.00 H new ATOM 742 N ARG A 51 0.350 6.511 2.173 1.00 0.00 N ATOM 743 CA ARG A 51 -0.459 7.398 2.992 1.00 0.00 C ATOM 744 C ARG A 51 0.236 8.751 3.155 1.00 0.00 C ATOM 745 O ARG A 51 -0.416 9.794 3.142 1.00 0.00 O ATOM 746 CB ARG A 51 -0.711 6.794 4.374 1.00 0.00 C ATOM 747 CG ARG A 51 -2.079 6.110 4.432 1.00 0.00 C ATOM 748 CD ARG A 51 -1.972 4.720 5.060 1.00 0.00 C ATOM 749 NE ARG A 51 -1.119 4.775 6.268 1.00 0.00 N ATOM 750 CZ ARG A 51 -1.500 5.319 7.432 1.00 0.00 C ATOM 751 NH1 ARG A 51 -2.720 5.858 7.553 1.00 0.00 N ATOM 752 NH2 ARG A 51 -0.659 5.324 8.476 1.00 0.00 N ATOM 0 H ARG A 51 1.285 6.860 1.961 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.415 7.535 2.487 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.071 6.071 4.607 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.659 7.576 5.132 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.771 6.722 5.011 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.491 6.028 3.426 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.964 4.353 5.322 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.552 4.018 4.340 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.183 4.374 6.211 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.360 5.855 6.759 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.009 6.272 8.439 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.270 4.914 8.384 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.949 5.738 9.362 1.00 0.00 H new ATOM 766 N SER A 52 1.552 8.692 3.305 1.00 0.00 N ATOM 767 CA SER A 52 2.342 9.899 3.469 1.00 0.00 C ATOM 768 C SER A 52 1.747 11.032 2.630 1.00 0.00 C ATOM 769 O SER A 52 1.244 10.799 1.533 1.00 0.00 O ATOM 770 CB SER A 52 3.803 9.659 3.079 1.00 0.00 C ATOM 771 OG SER A 52 4.541 10.876 3.003 1.00 0.00 O ATOM 0 H SER A 52 2.090 7.826 3.316 1.00 0.00 H new ATOM 0 HA SER A 52 2.318 10.183 4.521 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.269 8.997 3.809 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.842 9.150 2.116 1.00 0.00 H new ATOM 0 HG SER A 52 5.428 10.698 2.626 1.00 0.00 H new ATOM 777 N LYS A 53 1.825 12.236 3.179 1.00 0.00 N ATOM 778 CA LYS A 53 1.301 13.406 2.495 1.00 0.00 C ATOM 779 C LYS A 53 1.934 13.505 1.106 1.00 0.00 C ATOM 780 O LYS A 53 1.338 14.066 0.187 1.00 0.00 O ATOM 781 CB LYS A 53 1.498 14.659 3.351 1.00 0.00 C ATOM 782 CG LYS A 53 2.934 14.748 3.872 1.00 0.00 C ATOM 783 CD LYS A 53 3.540 16.121 3.579 1.00 0.00 C ATOM 784 CE LYS A 53 3.557 16.403 2.074 1.00 0.00 C ATOM 785 NZ LYS A 53 3.212 17.817 1.808 1.00 0.00 N ATOM 0 H LYS A 53 2.243 12.426 4.090 1.00 0.00 H new ATOM 0 HA LYS A 53 0.225 13.313 2.350 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.266 15.546 2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.803 14.643 4.191 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.947 14.563 4.946 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.542 13.972 3.407 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.965 16.893 4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.555 16.166 3.973 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.544 16.181 1.667 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.848 15.748 1.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.228 17.991 0.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.261 18.018 2.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.904 18.437 2.275 1.00 0.00 H new ATOM 799 N TYR A 54 3.132 12.949 0.994 1.00 0.00 N ATOM 800 CA TYR A 54 3.851 12.968 -0.268 1.00 0.00 C ATOM 801 C TYR A 54 3.341 11.872 -1.206 1.00 0.00 C ATOM 802 O TYR A 54 2.854 10.837 -0.751 1.00 0.00 O ATOM 803 CB TYR A 54 5.315 12.687 0.077 1.00 0.00 C ATOM 804 CG TYR A 54 6.086 13.915 0.563 1.00 0.00 C ATOM 805 CD1 TYR A 54 5.971 14.328 1.874 1.00 0.00 C ATOM 806 CD2 TYR A 54 6.899 14.609 -0.310 1.00 0.00 C ATOM 807 CE1 TYR A 54 6.698 15.483 2.333 1.00 0.00 C ATOM 808 CE2 TYR A 54 7.626 15.766 0.148 1.00 0.00 C ATOM 809 CZ TYR A 54 7.489 16.146 1.446 1.00 0.00 C ATOM 810 OH TYR A 54 8.175 17.237 1.879 1.00 0.00 O ATOM 0 H TYR A 54 3.622 12.483 1.757 1.00 0.00 H new ATOM 0 HA TYR A 54 3.716 13.925 -0.772 1.00 0.00 H new ATOM 0 HB2 TYR A 54 5.355 11.917 0.848 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.814 12.282 -0.804 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.335 13.784 2.557 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.990 14.285 -1.336 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.617 15.815 3.357 1.00 0.00 H new ATOM 0 HE2 TYR A 54 8.265 16.319 -0.525 1.00 0.00 H new ATOM 0 HH TYR A 54 8.699 17.609 1.139 1.00 0.00 H new ATOM 820 N ASN A 55 3.469 12.137 -2.498 1.00 0.00 N ATOM 821 CA ASN A 55 3.026 11.186 -3.503 1.00 0.00 C ATOM 822 C ASN A 55 4.193 10.272 -3.884 1.00 0.00 C ATOM 823 O ASN A 55 3.989 9.103 -4.207 1.00 0.00 O ATOM 824 CB ASN A 55 2.556 11.903 -4.771 1.00 0.00 C ATOM 825 CG ASN A 55 1.613 13.060 -4.428 1.00 0.00 C ATOM 826 OD1 ASN A 55 1.994 14.046 -3.820 1.00 0.00 O ATOM 827 ND2 ASN A 55 0.365 12.883 -4.852 1.00 0.00 N ATOM 0 H ASN A 55 3.873 12.996 -2.872 1.00 0.00 H new ATOM 0 HA ASN A 55 2.199 10.614 -3.083 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.418 12.282 -5.320 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.047 11.196 -5.426 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.341 13.598 -4.673 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.113 12.033 -5.356 1.00 0.00 H new ATOM 834 N GLU A 56 5.388 10.840 -3.831 1.00 0.00 N ATOM 835 CA GLU A 56 6.588 10.090 -4.166 1.00 0.00 C ATOM 836 C GLU A 56 6.901 9.072 -3.067 1.00 0.00 C ATOM 837 O GLU A 56 7.621 8.103 -3.302 1.00 0.00 O ATOM 838 CB GLU A 56 7.773 11.029 -4.398 1.00 0.00 C ATOM 839 CG GLU A 56 7.681 11.700 -5.770 1.00 0.00 C ATOM 840 CD GLU A 56 9.069 11.881 -6.387 1.00 0.00 C ATOM 841 OE1 GLU A 56 9.829 12.711 -5.840 1.00 0.00 O ATOM 842 OE2 GLU A 56 9.339 11.188 -7.391 1.00 0.00 O ATOM 0 H GLU A 56 5.552 11.810 -3.561 1.00 0.00 H new ATOM 0 HA GLU A 56 6.408 9.549 -5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.797 11.790 -3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.705 10.469 -4.325 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.061 11.097 -6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.193 12.670 -5.672 1.00 0.00 H new ATOM 849 N ASP A 57 6.345 9.329 -1.892 1.00 0.00 N ATOM 850 CA ASP A 57 6.557 8.446 -0.757 1.00 0.00 C ATOM 851 C ASP A 57 5.536 7.308 -0.804 1.00 0.00 C ATOM 852 O ASP A 57 5.650 6.336 -0.058 1.00 0.00 O ATOM 853 CB ASP A 57 6.370 9.195 0.564 1.00 0.00 C ATOM 854 CG ASP A 57 7.246 10.437 0.733 1.00 0.00 C ATOM 855 OD1 ASP A 57 7.934 10.785 -0.251 1.00 0.00 O ATOM 856 OD2 ASP A 57 7.208 11.012 1.843 1.00 0.00 O ATOM 0 H ASP A 57 5.749 10.135 -1.701 1.00 0.00 H new ATOM 0 HA ASP A 57 7.575 8.062 -0.813 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.325 9.492 0.651 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.576 8.509 1.386 1.00 0.00 H new ATOM 861 N ILE A 58 4.561 7.466 -1.687 1.00 0.00 N ATOM 862 CA ILE A 58 3.520 6.464 -1.841 1.00 0.00 C ATOM 863 C ILE A 58 3.997 5.385 -2.817 1.00 0.00 C ATOM 864 O ILE A 58 3.854 4.194 -2.550 1.00 0.00 O ATOM 865 CB ILE A 58 2.200 7.120 -2.247 1.00 0.00 C ATOM 866 CG1 ILE A 58 1.526 7.786 -1.045 1.00 0.00 C ATOM 867 CG2 ILE A 58 1.277 6.114 -2.938 1.00 0.00 C ATOM 868 CD1 ILE A 58 0.496 8.823 -1.498 1.00 0.00 C ATOM 0 H ILE A 58 4.470 8.273 -2.304 1.00 0.00 H new ATOM 0 HA ILE A 58 3.324 5.970 -0.890 1.00 0.00 H new ATOM 0 HB ILE A 58 2.417 7.906 -2.970 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.039 7.029 -0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.280 8.266 -0.421 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.345 6.607 -3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.765 5.728 -3.833 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.063 5.290 -2.258 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.032 9.281 -0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.991 9.592 -2.091 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.270 8.336 -2.102 1.00 0.00 H new ATOM 880 N ARG A 59 4.555 5.844 -3.928 1.00 0.00 N ATOM 881 CA ARG A 59 5.053 4.933 -4.945 1.00 0.00 C ATOM 882 C ARG A 59 5.619 3.670 -4.295 1.00 0.00 C ATOM 883 O ARG A 59 5.031 2.594 -4.406 1.00 0.00 O ATOM 884 CB ARG A 59 6.143 5.596 -5.790 1.00 0.00 C ATOM 885 CG ARG A 59 5.957 5.276 -7.275 1.00 0.00 C ATOM 886 CD ARG A 59 7.180 5.707 -8.086 1.00 0.00 C ATOM 887 NE ARG A 59 7.116 5.124 -9.446 1.00 0.00 N ATOM 888 CZ ARG A 59 7.990 5.399 -10.422 1.00 0.00 C ATOM 889 NH1 ARG A 59 9.001 6.249 -10.198 1.00 0.00 N ATOM 890 NH2 ARG A 59 7.855 4.823 -11.625 1.00 0.00 N ATOM 0 H ARG A 59 4.673 6.833 -4.146 1.00 0.00 H new ATOM 0 HA ARG A 59 4.217 4.668 -5.592 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.117 6.675 -5.641 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.123 5.252 -5.460 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.791 4.206 -7.402 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.069 5.784 -7.652 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.220 6.794 -8.149 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.092 5.383 -7.585 1.00 0.00 H new ATOM 0 HE ARG A 59 6.359 4.472 -9.652 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.105 6.687 -9.283 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.666 6.458 -10.942 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.086 4.175 -11.797 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.521 5.033 -12.368 1.00 0.00 H new ATOM 904 N ARG A 60 6.753 3.840 -3.631 1.00 0.00 N ATOM 905 CA ARG A 60 7.404 2.727 -2.963 1.00 0.00 C ATOM 906 C ARG A 60 6.371 1.874 -2.223 1.00 0.00 C ATOM 907 O ARG A 60 6.237 0.681 -2.493 1.00 0.00 O ATOM 908 CB ARG A 60 8.456 3.220 -1.968 1.00 0.00 C ATOM 909 CG ARG A 60 8.089 4.602 -1.422 1.00 0.00 C ATOM 910 CD ARG A 60 8.972 5.687 -2.040 1.00 0.00 C ATOM 911 NE ARG A 60 10.396 5.402 -1.757 1.00 0.00 N ATOM 912 CZ ARG A 60 11.231 4.812 -2.625 1.00 0.00 C ATOM 913 NH1 ARG A 60 10.788 4.442 -3.833 1.00 0.00 N ATOM 914 NH2 ARG A 60 12.508 4.594 -2.282 1.00 0.00 N ATOM 0 H ARG A 60 7.238 4.733 -3.542 1.00 0.00 H new ATOM 0 HA ARG A 60 7.897 2.125 -3.726 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.543 2.511 -1.145 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.430 3.264 -2.455 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.042 4.815 -1.636 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.201 4.610 -0.338 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.808 5.731 -3.117 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.700 6.662 -1.636 1.00 0.00 H new ATOM 0 HE ARG A 60 10.766 5.671 -0.845 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.816 4.609 -4.093 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.423 3.993 -4.494 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.844 4.877 -1.361 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.144 4.145 -2.941 1.00 0.00 H new ATOM 928 N GLY A 61 5.668 2.518 -1.304 1.00 0.00 N ATOM 929 CA GLY A 61 4.652 1.835 -0.524 1.00 0.00 C ATOM 930 C GLY A 61 3.932 0.779 -1.365 1.00 0.00 C ATOM 931 O GLY A 61 3.473 -0.234 -0.838 1.00 0.00 O ATOM 0 H GLY A 61 5.782 3.507 -1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.112 1.362 0.344 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.930 2.559 -0.147 1.00 0.00 H new ATOM 935 N ILE A 62 3.855 1.052 -2.660 1.00 0.00 N ATOM 936 CA ILE A 62 3.198 0.138 -3.579 1.00 0.00 C ATOM 937 C ILE A 62 4.141 -1.025 -3.894 1.00 0.00 C ATOM 938 O ILE A 62 3.865 -2.167 -3.531 1.00 0.00 O ATOM 939 CB ILE A 62 2.709 0.888 -4.820 1.00 0.00 C ATOM 940 CG1 ILE A 62 1.807 2.061 -4.432 1.00 0.00 C ATOM 941 CG2 ILE A 62 2.021 -0.066 -5.800 1.00 0.00 C ATOM 942 CD1 ILE A 62 1.444 2.902 -5.659 1.00 0.00 C ATOM 0 H ILE A 62 4.237 1.893 -3.094 1.00 0.00 H new ATOM 0 HA ILE A 62 2.306 -0.290 -3.121 1.00 0.00 H new ATOM 0 HB ILE A 62 3.576 1.306 -5.332 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.898 1.686 -3.962 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.313 2.685 -3.695 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.683 0.491 -6.673 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.725 -0.837 -6.112 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.165 -0.532 -5.313 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.802 3.729 -5.356 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.354 3.296 -6.112 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.917 2.281 -6.383 1.00 0.00 H new ATOM 954 N VAL A 63 5.232 -0.695 -4.568 1.00 0.00 N ATOM 955 CA VAL A 63 6.216 -1.698 -4.936 1.00 0.00 C ATOM 956 C VAL A 63 6.331 -2.731 -3.813 1.00 0.00 C ATOM 957 O VAL A 63 6.208 -3.931 -4.054 1.00 0.00 O ATOM 958 CB VAL A 63 7.550 -1.027 -5.268 1.00 0.00 C ATOM 959 CG1 VAL A 63 7.329 0.321 -5.959 1.00 0.00 C ATOM 960 CG2 VAL A 63 8.409 -0.864 -4.012 1.00 0.00 C ATOM 0 H VAL A 63 5.456 0.253 -4.869 1.00 0.00 H new ATOM 0 HA VAL A 63 5.901 -2.228 -5.835 1.00 0.00 H new ATOM 0 HB VAL A 63 8.088 -1.675 -5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.293 0.777 -6.184 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.775 0.169 -6.885 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.762 0.979 -5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.352 -0.385 -4.276 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.879 -0.247 -3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.609 -1.844 -3.578 1.00 0.00 H new ATOM 970 N LEU A 64 6.564 -2.227 -2.611 1.00 0.00 N ATOM 971 CA LEU A 64 6.695 -3.092 -1.449 1.00 0.00 C ATOM 972 C LEU A 64 5.498 -4.042 -1.388 1.00 0.00 C ATOM 973 O LEU A 64 5.665 -5.260 -1.424 1.00 0.00 O ATOM 974 CB LEU A 64 6.885 -2.258 -0.180 1.00 0.00 C ATOM 975 CG LEU A 64 7.765 -1.015 -0.319 1.00 0.00 C ATOM 976 CD1 LEU A 64 8.066 -0.400 1.049 1.00 0.00 C ATOM 977 CD2 LEU A 64 9.044 -1.333 -1.097 1.00 0.00 C ATOM 0 H LEU A 64 6.666 -1.231 -2.415 1.00 0.00 H new ATOM 0 HA LEU A 64 7.588 -3.711 -1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.903 -1.946 0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.314 -2.898 0.591 1.00 0.00 H new ATOM 0 HG LEU A 64 7.214 -0.270 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.693 0.482 0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.132 -0.114 1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.587 -1.129 1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.652 -0.432 -1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.608 -2.103 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.784 -1.690 -2.093 1.00 0.00 H new ATOM 989 N LEU A 65 4.316 -3.449 -1.296 1.00 0.00 N ATOM 990 CA LEU A 65 3.092 -4.227 -1.229 1.00 0.00 C ATOM 991 C LEU A 65 2.975 -5.095 -2.484 1.00 0.00 C ATOM 992 O LEU A 65 2.468 -6.214 -2.424 1.00 0.00 O ATOM 993 CB LEU A 65 1.887 -3.313 -1.001 1.00 0.00 C ATOM 994 CG LEU A 65 1.983 -2.363 0.195 1.00 0.00 C ATOM 995 CD1 LEU A 65 1.161 -1.094 -0.045 1.00 0.00 C ATOM 996 CD2 LEU A 65 1.580 -3.070 1.490 1.00 0.00 C ATOM 0 H LEU A 65 4.181 -2.438 -1.266 1.00 0.00 H new ATOM 0 HA LEU A 65 3.117 -4.902 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.732 -2.718 -1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.002 -3.936 -0.875 1.00 0.00 H new ATOM 0 HG LEU A 65 3.023 -2.057 0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.246 -0.436 0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.535 -0.580 -0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.115 -1.361 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.657 -2.373 2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.552 -3.424 1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.243 -3.918 1.663 1.00 0.00 H new ATOM 1008 N GLU A 66 3.454 -4.547 -3.591 1.00 0.00 N ATOM 1009 CA GLU A 66 3.410 -5.258 -4.858 1.00 0.00 C ATOM 1010 C GLU A 66 4.439 -6.390 -4.867 1.00 0.00 C ATOM 1011 O GLU A 66 4.408 -7.254 -5.741 1.00 0.00 O ATOM 1012 CB GLU A 66 3.635 -4.302 -6.030 1.00 0.00 C ATOM 1013 CG GLU A 66 2.337 -3.591 -6.416 1.00 0.00 C ATOM 1014 CD GLU A 66 2.570 -2.609 -7.567 1.00 0.00 C ATOM 1015 OE1 GLU A 66 3.752 -2.277 -7.798 1.00 0.00 O ATOM 1016 OE2 GLU A 66 1.560 -2.214 -8.187 1.00 0.00 O ATOM 0 H GLU A 66 3.875 -3.619 -3.637 1.00 0.00 H new ATOM 0 HA GLU A 66 2.418 -5.695 -4.974 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.392 -3.565 -5.762 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.019 -4.856 -6.887 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.588 -4.327 -6.708 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.940 -3.057 -5.553 1.00 0.00 H new ATOM 1023 N GLU A 67 5.327 -6.348 -3.884 1.00 0.00 N ATOM 1024 CA GLU A 67 6.364 -7.359 -3.768 1.00 0.00 C ATOM 1025 C GLU A 67 5.885 -8.511 -2.882 1.00 0.00 C ATOM 1026 O GLU A 67 6.180 -9.674 -3.156 1.00 0.00 O ATOM 1027 CB GLU A 67 7.662 -6.754 -3.228 1.00 0.00 C ATOM 1028 CG GLU A 67 8.434 -6.036 -4.337 1.00 0.00 C ATOM 1029 CD GLU A 67 9.906 -6.455 -4.340 1.00 0.00 C ATOM 1030 OE1 GLU A 67 10.157 -7.640 -4.649 1.00 0.00 O ATOM 1031 OE2 GLU A 67 10.745 -5.581 -4.034 1.00 0.00 O ATOM 0 H GLU A 67 5.349 -5.629 -3.161 1.00 0.00 H new ATOM 0 HA GLU A 67 6.573 -7.754 -4.762 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.434 -6.053 -2.425 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.283 -7.540 -2.798 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.985 -6.264 -5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.359 -4.958 -4.197 1.00 0.00 H new ATOM 1038 N LEU A 68 5.155 -8.148 -1.838 1.00 0.00 N ATOM 1039 CA LEU A 68 4.633 -9.136 -0.910 1.00 0.00 C ATOM 1040 C LEU A 68 3.349 -9.740 -1.483 1.00 0.00 C ATOM 1041 O LEU A 68 2.823 -10.713 -0.946 1.00 0.00 O ATOM 1042 CB LEU A 68 4.456 -8.525 0.481 1.00 0.00 C ATOM 1043 CG LEU A 68 5.641 -7.716 1.013 1.00 0.00 C ATOM 1044 CD1 LEU A 68 5.191 -6.333 1.488 1.00 0.00 C ATOM 1045 CD2 LEU A 68 6.382 -8.485 2.108 1.00 0.00 C ATOM 0 H LEU A 68 4.913 -7.183 -1.614 1.00 0.00 H new ATOM 0 HA LEU A 68 5.343 -9.953 -0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.579 -7.878 0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.245 -9.329 1.186 1.00 0.00 H new ATOM 0 HG LEU A 68 6.345 -7.562 0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.052 -5.779 1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.743 -5.790 0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.457 -6.443 2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.219 -7.888 2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.700 -8.690 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.755 -9.426 1.703 1.00 0.00 H new ATOM 1057 N LEU A 69 2.883 -9.138 -2.568 1.00 0.00 N ATOM 1058 CA LEU A 69 1.671 -9.604 -3.221 1.00 0.00 C ATOM 1059 C LEU A 69 1.940 -10.961 -3.875 1.00 0.00 C ATOM 1060 O LEU A 69 1.293 -11.953 -3.542 1.00 0.00 O ATOM 1061 CB LEU A 69 1.145 -8.546 -4.192 1.00 0.00 C ATOM 1062 CG LEU A 69 -0.282 -8.053 -3.937 1.00 0.00 C ATOM 1063 CD1 LEU A 69 -0.444 -6.595 -4.375 1.00 0.00 C ATOM 1064 CD2 LEU A 69 -1.307 -8.969 -4.606 1.00 0.00 C ATOM 0 H LEU A 69 3.323 -8.332 -3.011 1.00 0.00 H new ATOM 0 HA LEU A 69 0.877 -9.754 -2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.816 -7.687 -4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.193 -8.952 -5.202 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.470 -8.091 -2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.466 -6.269 -4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.248 -5.967 -3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.230 -6.509 -5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.312 -8.596 -4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.131 -8.987 -5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.210 -9.978 -4.205 1.00 0.00 H new ATOM 1076 N PRO A 70 2.918 -10.960 -4.819 1.00 0.00 N ATOM 1077 CA PRO A 70 3.280 -12.179 -5.524 1.00 0.00 C ATOM 1078 C PRO A 70 4.098 -13.109 -4.626 1.00 0.00 C ATOM 1079 O PRO A 70 4.377 -14.248 -4.997 1.00 0.00 O ATOM 1080 CB PRO A 70 4.047 -11.711 -6.750 1.00 0.00 C ATOM 1081 CG PRO A 70 4.488 -10.287 -6.449 1.00 0.00 C ATOM 1082 CD PRO A 70 3.705 -9.803 -5.239 1.00 0.00 C ATOM 0 HA PRO A 70 2.412 -12.770 -5.815 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.906 -12.354 -6.942 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.419 -11.745 -7.640 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.559 -10.253 -6.249 1.00 0.00 H new ATOM 0 HG3 PRO A 70 4.303 -9.641 -7.307 1.00 0.00 H new ATOM 0 HD2 PRO A 70 4.372 -9.468 -4.444 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.064 -8.959 -5.494 1.00 0.00 H new ATOM 1090 N LYS A 71 4.459 -12.588 -3.461 1.00 0.00 N ATOM 1091 CA LYS A 71 5.239 -13.359 -2.508 1.00 0.00 C ATOM 1092 C LYS A 71 4.448 -13.505 -1.207 1.00 0.00 C ATOM 1093 O LYS A 71 5.022 -13.780 -0.155 1.00 0.00 O ATOM 1094 CB LYS A 71 6.623 -12.733 -2.319 1.00 0.00 C ATOM 1095 CG LYS A 71 7.265 -12.404 -3.668 1.00 0.00 C ATOM 1096 CD LYS A 71 8.659 -11.803 -3.480 1.00 0.00 C ATOM 1097 CE LYS A 71 9.350 -11.588 -4.829 1.00 0.00 C ATOM 1098 NZ LYS A 71 10.801 -11.369 -4.638 1.00 0.00 N ATOM 0 H LYS A 71 4.226 -11.643 -3.157 1.00 0.00 H new ATOM 0 HA LYS A 71 5.418 -14.365 -2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.537 -11.825 -1.722 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.264 -13.419 -1.765 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.334 -13.309 -4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.634 -11.703 -4.214 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.581 -10.853 -2.952 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.263 -12.464 -2.859 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.188 -12.455 -5.470 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.910 -10.730 -5.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.255 -11.225 -5.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.950 -10.528 -4.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.219 -12.200 -4.173 1.00 0.00 H new ATOM 1112 N GLY A 72 3.142 -13.313 -1.322 1.00 0.00 N ATOM 1113 CA GLY A 72 2.266 -13.419 -0.168 1.00 0.00 C ATOM 1114 C GLY A 72 1.260 -14.558 -0.347 1.00 0.00 C ATOM 1115 O GLY A 72 1.447 -15.428 -1.196 1.00 0.00 O ATOM 0 H GLY A 72 2.670 -13.085 -2.197 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.860 -13.591 0.730 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.734 -12.479 -0.023 1.00 0.00 H new ATOM 1119 N SER A 73 0.216 -14.515 0.467 1.00 0.00 N ATOM 1120 CA SER A 73 -0.821 -15.533 0.410 1.00 0.00 C ATOM 1121 C SER A 73 -1.999 -15.034 -0.429 1.00 0.00 C ATOM 1122 O SER A 73 -1.935 -13.954 -1.014 1.00 0.00 O ATOM 1123 CB SER A 73 -1.292 -15.918 1.814 1.00 0.00 C ATOM 1124 OG SER A 73 -0.923 -17.251 2.154 1.00 0.00 O ATOM 0 H SER A 73 0.065 -13.791 1.170 1.00 0.00 H new ATOM 0 HA SER A 73 -0.402 -16.423 -0.059 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.866 -15.227 2.541 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.376 -15.815 1.874 1.00 0.00 H new ATOM 0 HG SER A 73 -1.240 -17.458 3.058 1.00 0.00 H new ATOM 1130 N LYS A 74 -3.046 -15.845 -0.461 1.00 0.00 N ATOM 1131 CA LYS A 74 -4.237 -15.499 -1.218 1.00 0.00 C ATOM 1132 C LYS A 74 -5.083 -14.514 -0.409 1.00 0.00 C ATOM 1133 O LYS A 74 -5.185 -13.341 -0.764 1.00 0.00 O ATOM 1134 CB LYS A 74 -4.993 -16.763 -1.634 1.00 0.00 C ATOM 1135 CG LYS A 74 -4.721 -17.108 -3.099 1.00 0.00 C ATOM 1136 CD LYS A 74 -5.593 -18.277 -3.558 1.00 0.00 C ATOM 1137 CE LYS A 74 -4.764 -19.553 -3.714 1.00 0.00 C ATOM 1138 NZ LYS A 74 -4.618 -19.907 -5.143 1.00 0.00 N ATOM 0 H LYS A 74 -3.094 -16.741 0.025 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.966 -14.997 -2.147 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.693 -17.596 -0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.063 -16.617 -1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.917 -16.237 -3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.669 -17.362 -3.227 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.392 -18.445 -2.836 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.068 -18.030 -4.507 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.780 -19.411 -3.266 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.243 -20.372 -3.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.053 -20.776 -5.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.558 -20.063 -5.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.141 -19.132 -5.646 1.00 0.00 H new ATOM 1152 N GLU A 75 -5.667 -15.027 0.664 1.00 0.00 N ATOM 1153 CA GLU A 75 -6.501 -14.208 1.526 1.00 0.00 C ATOM 1154 C GLU A 75 -5.721 -12.984 2.012 1.00 0.00 C ATOM 1155 O GLU A 75 -6.313 -12.000 2.449 1.00 0.00 O ATOM 1156 CB GLU A 75 -7.036 -15.022 2.707 1.00 0.00 C ATOM 1157 CG GLU A 75 -5.889 -15.591 3.544 1.00 0.00 C ATOM 1158 CD GLU A 75 -6.216 -15.527 5.038 1.00 0.00 C ATOM 1159 OE1 GLU A 75 -6.165 -14.403 5.582 1.00 0.00 O ATOM 1160 OE2 GLU A 75 -6.511 -16.603 5.600 1.00 0.00 O ATOM 0 H GLU A 75 -5.579 -16.000 0.956 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.358 -13.863 0.948 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.669 -14.391 3.331 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.661 -15.836 2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.700 -16.624 3.253 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.975 -15.031 3.344 1.00 0.00 H new ATOM 1167 N GLU A 76 -4.404 -13.087 1.917 1.00 0.00 N ATOM 1168 CA GLU A 76 -3.536 -12.001 2.342 1.00 0.00 C ATOM 1169 C GLU A 76 -3.419 -10.952 1.234 1.00 0.00 C ATOM 1170 O GLU A 76 -3.240 -9.767 1.513 1.00 0.00 O ATOM 1171 CB GLU A 76 -2.157 -12.527 2.746 1.00 0.00 C ATOM 1172 CG GLU A 76 -2.237 -13.331 4.046 1.00 0.00 C ATOM 1173 CD GLU A 76 -2.210 -12.407 5.264 1.00 0.00 C ATOM 1174 OE1 GLU A 76 -3.048 -11.479 5.291 1.00 0.00 O ATOM 1175 OE2 GLU A 76 -1.353 -12.648 6.141 1.00 0.00 O ATOM 0 H GLU A 76 -3.916 -13.905 1.552 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.979 -11.529 3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.755 -13.154 1.950 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.468 -11.692 2.872 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.151 -13.924 4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.403 -14.031 4.097 1.00 0.00 H new ATOM 1182 N GLN A 77 -3.525 -11.425 0.001 1.00 0.00 N ATOM 1183 CA GLN A 77 -3.433 -10.542 -1.149 1.00 0.00 C ATOM 1184 C GLN A 77 -4.566 -9.514 -1.121 1.00 0.00 C ATOM 1185 O GLN A 77 -4.433 -8.421 -1.670 1.00 0.00 O ATOM 1186 CB GLN A 77 -3.448 -11.338 -2.455 1.00 0.00 C ATOM 1187 CG GLN A 77 -2.028 -11.549 -2.985 1.00 0.00 C ATOM 1188 CD GLN A 77 -2.050 -12.007 -4.445 1.00 0.00 C ATOM 1189 OE1 GLN A 77 -2.996 -11.779 -5.180 1.00 0.00 O ATOM 1190 NE2 GLN A 77 -0.957 -12.663 -4.822 1.00 0.00 N ATOM 0 H GLN A 77 -3.674 -12.408 -0.227 1.00 0.00 H new ATOM 0 HA GLN A 77 -2.483 -10.009 -1.098 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -3.926 -12.304 -2.291 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -4.043 -10.810 -3.200 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.463 -10.621 -2.900 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -1.515 -12.292 -2.375 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.201 -12.820 -4.155 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.874 -13.009 -5.778 1.00 0.00 H new ATOM 1199 N ARG A 78 -5.658 -9.901 -0.477 1.00 0.00 N ATOM 1200 CA ARG A 78 -6.814 -9.028 -0.370 1.00 0.00 C ATOM 1201 C ARG A 78 -6.455 -7.766 0.416 1.00 0.00 C ATOM 1202 O ARG A 78 -7.004 -6.694 0.163 1.00 0.00 O ATOM 1203 CB ARG A 78 -7.979 -9.737 0.322 1.00 0.00 C ATOM 1204 CG ARG A 78 -8.688 -10.694 -0.639 1.00 0.00 C ATOM 1205 CD ARG A 78 -7.948 -12.031 -0.728 1.00 0.00 C ATOM 1206 NE ARG A 78 -8.910 -13.149 -0.614 1.00 0.00 N ATOM 1207 CZ ARG A 78 -9.713 -13.345 0.441 1.00 0.00 C ATOM 1208 NH1 ARG A 78 -9.673 -12.499 1.478 1.00 0.00 N ATOM 1209 NH2 ARG A 78 -10.553 -14.388 0.458 1.00 0.00 N ATOM 0 H ARG A 78 -5.766 -10.808 -0.024 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.118 -8.757 -1.381 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.611 -10.290 1.186 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.689 -8.999 0.695 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.711 -10.862 -0.302 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.749 -10.242 -1.629 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.411 -12.097 -1.674 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.204 -12.098 0.066 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.966 -13.812 -1.387 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.032 -11.706 1.465 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.284 -12.648 2.281 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.581 -15.033 -0.332 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.164 -14.538 1.261 1.00 0.00 H new ATOM 1223 N ASP A 79 -5.534 -7.934 1.354 1.00 0.00 N ATOM 1224 CA ASP A 79 -5.095 -6.821 2.180 1.00 0.00 C ATOM 1225 C ASP A 79 -4.182 -5.911 1.357 1.00 0.00 C ATOM 1226 O ASP A 79 -4.183 -4.694 1.540 1.00 0.00 O ATOM 1227 CB ASP A 79 -4.303 -7.314 3.392 1.00 0.00 C ATOM 1228 CG ASP A 79 -4.888 -6.922 4.750 1.00 0.00 C ATOM 1229 OD1 ASP A 79 -5.860 -6.136 4.744 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -4.351 -7.417 5.765 1.00 0.00 O ATOM 0 H ASP A 79 -5.080 -8.824 1.560 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.980 -6.284 2.522 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.233 -8.401 3.344 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.287 -6.926 3.325 1.00 0.00 H new ATOM 1235 N TYR A 80 -3.424 -6.534 0.467 1.00 0.00 N ATOM 1236 CA TYR A 80 -2.507 -5.795 -0.385 1.00 0.00 C ATOM 1237 C TYR A 80 -3.268 -4.986 -1.437 1.00 0.00 C ATOM 1238 O TYR A 80 -3.277 -3.757 -1.393 1.00 0.00 O ATOM 1239 CB TYR A 80 -1.648 -6.845 -1.091 1.00 0.00 C ATOM 1240 CG TYR A 80 -0.722 -7.623 -0.153 1.00 0.00 C ATOM 1241 CD1 TYR A 80 -0.273 -7.040 1.014 1.00 0.00 C ATOM 1242 CD2 TYR A 80 -0.336 -8.908 -0.475 1.00 0.00 C ATOM 1243 CE1 TYR A 80 0.599 -7.773 1.896 1.00 0.00 C ATOM 1244 CE2 TYR A 80 0.535 -9.641 0.407 1.00 0.00 C ATOM 1245 CZ TYR A 80 0.960 -9.037 1.549 1.00 0.00 C ATOM 1246 OH TYR A 80 1.783 -9.729 2.381 1.00 0.00 O ATOM 0 H TYR A 80 -3.426 -7.543 0.317 1.00 0.00 H new ATOM 0 HA TYR A 80 -1.913 -5.097 0.205 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.302 -7.549 -1.606 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.045 -6.353 -1.855 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.575 -6.034 1.266 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.687 -9.364 -1.389 1.00 0.00 H new ATOM 0 HE1 TYR A 80 0.958 -7.328 2.812 1.00 0.00 H new ATOM 0 HE2 TYR A 80 0.844 -10.648 0.167 1.00 0.00 H new ATOM 0 HH TYR A 80 1.955 -10.618 2.006 1.00 0.00 H new ATOM 1256 N VAL A 81 -3.891 -5.709 -2.357 1.00 0.00 N ATOM 1257 CA VAL A 81 -4.652 -5.072 -3.419 1.00 0.00 C ATOM 1258 C VAL A 81 -5.415 -3.876 -2.846 1.00 0.00 C ATOM 1259 O VAL A 81 -5.479 -2.820 -3.473 1.00 0.00 O ATOM 1260 CB VAL A 81 -5.567 -6.098 -4.092 1.00 0.00 C ATOM 1261 CG1 VAL A 81 -6.398 -5.448 -5.199 1.00 0.00 C ATOM 1262 CG2 VAL A 81 -4.760 -7.279 -4.634 1.00 0.00 C ATOM 0 H VAL A 81 -3.884 -6.728 -2.389 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.986 -4.692 -4.193 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.255 -6.480 -3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.039 -6.199 -5.661 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.014 -4.656 -4.774 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.733 -5.025 -5.952 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.434 -7.993 -5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.038 -6.920 -5.368 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.232 -7.766 -3.814 1.00 0.00 H new ATOM 1272 N PHE A 82 -5.973 -4.082 -1.662 1.00 0.00 N ATOM 1273 CA PHE A 82 -6.728 -3.033 -0.999 1.00 0.00 C ATOM 1274 C PHE A 82 -5.874 -1.777 -0.810 1.00 0.00 C ATOM 1275 O PHE A 82 -6.318 -0.670 -1.108 1.00 0.00 O ATOM 1276 CB PHE A 82 -7.132 -3.572 0.375 1.00 0.00 C ATOM 1277 CG PHE A 82 -7.964 -2.595 1.208 1.00 0.00 C ATOM 1278 CD1 PHE A 82 -8.952 -1.870 0.618 1.00 0.00 C ATOM 1279 CD2 PHE A 82 -7.715 -2.452 2.537 1.00 0.00 C ATOM 1280 CE1 PHE A 82 -9.725 -0.963 1.391 1.00 0.00 C ATOM 1281 CE2 PHE A 82 -8.487 -1.545 3.309 1.00 0.00 C ATOM 1282 CZ PHE A 82 -9.475 -0.819 2.721 1.00 0.00 C ATOM 0 H PHE A 82 -5.917 -4.960 -1.145 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.595 -2.763 -1.601 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.700 -4.493 0.240 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.231 -3.832 0.931 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.149 -1.984 -0.438 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.930 -3.028 3.005 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.511 -0.388 0.924 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -8.289 -1.431 4.365 1.00 0.00 H new ATOM 0 HZ PHE A 82 -10.061 -0.128 3.309 1.00 0.00 H new ATOM 1292 N TYR A 83 -4.664 -1.993 -0.316 1.00 0.00 N ATOM 1293 CA TYR A 83 -3.744 -0.893 -0.082 1.00 0.00 C ATOM 1294 C TYR A 83 -3.153 -0.386 -1.399 1.00 0.00 C ATOM 1295 O TYR A 83 -3.006 0.820 -1.595 1.00 0.00 O ATOM 1296 CB TYR A 83 -2.617 -1.461 0.783 1.00 0.00 C ATOM 1297 CG TYR A 83 -2.979 -1.600 2.263 1.00 0.00 C ATOM 1298 CD1 TYR A 83 -4.268 -1.343 2.685 1.00 0.00 C ATOM 1299 CD2 TYR A 83 -2.018 -1.981 3.176 1.00 0.00 C ATOM 1300 CE1 TYR A 83 -4.609 -1.474 4.078 1.00 0.00 C ATOM 1301 CE2 TYR A 83 -2.358 -2.112 4.568 1.00 0.00 C ATOM 1302 CZ TYR A 83 -3.637 -1.851 4.951 1.00 0.00 C ATOM 1303 OH TYR A 83 -3.959 -1.974 6.266 1.00 0.00 O ATOM 0 H TYR A 83 -4.299 -2.914 -0.071 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.257 -0.058 0.396 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.333 -2.439 0.395 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.743 -0.816 0.692 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -5.021 -1.044 1.971 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -1.009 -2.181 2.846 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.614 -1.277 4.421 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.615 -2.411 5.292 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.679 -1.168 6.748 1.00 0.00 H new ATOM 1313 N LEU A 84 -2.828 -1.331 -2.269 1.00 0.00 N ATOM 1314 CA LEU A 84 -2.256 -0.995 -3.561 1.00 0.00 C ATOM 1315 C LEU A 84 -3.177 -0.008 -4.281 1.00 0.00 C ATOM 1316 O LEU A 84 -2.707 0.896 -4.971 1.00 0.00 O ATOM 1317 CB LEU A 84 -1.966 -2.264 -4.366 1.00 0.00 C ATOM 1318 CG LEU A 84 -0.585 -2.889 -4.158 1.00 0.00 C ATOM 1319 CD1 LEU A 84 -0.464 -3.496 -2.759 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.276 -3.911 -5.255 1.00 0.00 C ATOM 0 H LEU A 84 -2.950 -2.330 -2.104 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.294 -0.499 -3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.721 -3.009 -4.117 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.083 -2.033 -5.425 1.00 0.00 H new ATOM 0 HG LEU A 84 0.163 -2.100 -4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.527 -3.934 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.612 -2.717 -2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.221 -4.270 -2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.711 -4.341 -5.084 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.025 -4.703 -5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.294 -3.418 -6.227 1.00 0.00 H new ATOM 1332 N ALA A 85 -4.472 -0.214 -4.096 1.00 0.00 N ATOM 1333 CA ALA A 85 -5.464 0.648 -4.718 1.00 0.00 C ATOM 1334 C ALA A 85 -5.546 1.966 -3.946 1.00 0.00 C ATOM 1335 O ALA A 85 -5.961 2.986 -4.493 1.00 0.00 O ATOM 1336 CB ALA A 85 -6.808 -0.080 -4.776 1.00 0.00 C ATOM 0 H ALA A 85 -4.858 -0.965 -3.524 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.178 0.885 -5.743 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.552 0.566 -5.242 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.702 -0.993 -5.362 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.129 -0.332 -3.765 1.00 0.00 H new ATOM 1342 N VAL A 86 -5.143 1.901 -2.686 1.00 0.00 N ATOM 1343 CA VAL A 86 -5.165 3.077 -1.832 1.00 0.00 C ATOM 1344 C VAL A 86 -3.950 3.953 -2.144 1.00 0.00 C ATOM 1345 O VAL A 86 -4.076 5.168 -2.281 1.00 0.00 O ATOM 1346 CB VAL A 86 -5.237 2.656 -0.363 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -4.770 3.787 0.556 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -6.649 2.196 0.008 1.00 0.00 C ATOM 0 H VAL A 86 -4.799 1.053 -2.236 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.055 3.675 -2.029 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.562 1.811 -0.224 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.831 3.461 1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.739 4.047 0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.407 4.660 0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.672 1.902 1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.352 3.012 -0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.929 1.345 -0.613 1.00 0.00 H new ATOM 1358 N GLY A 87 -2.802 3.300 -2.248 1.00 0.00 N ATOM 1359 CA GLY A 87 -1.565 4.003 -2.541 1.00 0.00 C ATOM 1360 C GLY A 87 -1.550 4.506 -3.986 1.00 0.00 C ATOM 1361 O GLY A 87 -0.896 5.501 -4.294 1.00 0.00 O ATOM 0 H GLY A 87 -2.703 2.291 -2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -1.450 4.845 -1.858 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.717 3.339 -2.374 1.00 0.00 H new ATOM 1365 N ASN A 88 -2.278 3.794 -4.834 1.00 0.00 N ATOM 1366 CA ASN A 88 -2.356 4.155 -6.239 1.00 0.00 C ATOM 1367 C ASN A 88 -3.290 5.355 -6.402 1.00 0.00 C ATOM 1368 O ASN A 88 -2.903 6.375 -6.969 1.00 0.00 O ATOM 1369 CB ASN A 88 -2.918 3.003 -7.074 1.00 0.00 C ATOM 1370 CG ASN A 88 -1.794 2.226 -7.764 1.00 0.00 C ATOM 1371 OD1 ASN A 88 -1.376 2.537 -8.866 1.00 0.00 O ATOM 1372 ND2 ASN A 88 -1.330 1.201 -7.054 1.00 0.00 N ATOM 0 H ASN A 88 -2.819 2.969 -4.575 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.349 4.391 -6.582 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.490 2.331 -6.434 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.607 3.394 -7.822 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.579 0.621 -7.427 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.726 0.996 -6.137 1.00 0.00 H new ATOM 1379 N TYR A 89 -4.503 5.193 -5.893 1.00 0.00 N ATOM 1380 CA TYR A 89 -5.496 6.252 -5.975 1.00 0.00 C ATOM 1381 C TYR A 89 -4.873 7.613 -5.659 1.00 0.00 C ATOM 1382 O TYR A 89 -5.095 8.583 -6.382 1.00 0.00 O ATOM 1383 CB TYR A 89 -6.547 5.927 -4.911 1.00 0.00 C ATOM 1384 CG TYR A 89 -7.311 7.149 -4.399 1.00 0.00 C ATOM 1385 CD1 TYR A 89 -8.389 7.637 -5.110 1.00 0.00 C ATOM 1386 CD2 TYR A 89 -6.925 7.763 -3.224 1.00 0.00 C ATOM 1387 CE1 TYR A 89 -9.109 8.787 -4.627 1.00 0.00 C ATOM 1388 CE2 TYR A 89 -7.645 8.912 -2.742 1.00 0.00 C ATOM 1389 CZ TYR A 89 -8.701 9.368 -3.467 1.00 0.00 C ATOM 1390 OH TYR A 89 -9.381 10.454 -3.011 1.00 0.00 O ATOM 0 H TYR A 89 -4.821 4.345 -5.423 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.918 6.305 -6.978 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.259 5.213 -5.324 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.058 5.438 -4.069 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.692 7.156 -6.028 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.083 7.381 -2.667 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.954 9.179 -5.174 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.353 9.401 -1.825 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.979 10.763 -2.172 1.00 0.00 H new ATOM 1400 N ARG A 90 -4.106 7.642 -4.580 1.00 0.00 N ATOM 1401 CA ARG A 90 -3.449 8.869 -4.161 1.00 0.00 C ATOM 1402 C ARG A 90 -2.697 9.497 -5.336 1.00 0.00 C ATOM 1403 O ARG A 90 -2.626 10.719 -5.449 1.00 0.00 O ATOM 1404 CB ARG A 90 -2.466 8.605 -3.018 1.00 0.00 C ATOM 1405 CG ARG A 90 -2.514 9.730 -1.983 1.00 0.00 C ATOM 1406 CD ARG A 90 -1.900 11.015 -2.542 1.00 0.00 C ATOM 1407 NE ARG A 90 -1.567 11.940 -1.435 1.00 0.00 N ATOM 1408 CZ ARG A 90 -1.433 13.266 -1.578 1.00 0.00 C ATOM 1409 NH1 ARG A 90 -1.605 13.831 -2.781 1.00 0.00 N ATOM 1410 NH2 ARG A 90 -1.130 14.027 -0.518 1.00 0.00 N ATOM 0 H ARG A 90 -3.924 6.836 -3.983 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.220 9.555 -3.811 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.706 7.655 -2.540 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.455 8.515 -3.416 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.547 9.914 -1.689 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -1.976 9.426 -1.085 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.002 10.780 -3.113 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.599 11.493 -3.229 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.431 11.543 -0.505 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -1.838 13.252 -3.588 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.503 14.840 -2.890 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.001 13.597 0.398 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.028 15.036 -0.627 1.00 0.00 H new ATOM 1424 N LEU A 91 -2.155 8.631 -6.181 1.00 0.00 N ATOM 1425 CA LEU A 91 -1.411 9.086 -7.343 1.00 0.00 C ATOM 1426 C LEU A 91 -2.367 9.235 -8.529 1.00 0.00 C ATOM 1427 O LEU A 91 -1.944 9.178 -9.682 1.00 0.00 O ATOM 1428 CB LEU A 91 -0.229 8.155 -7.619 1.00 0.00 C ATOM 1429 CG LEU A 91 0.879 8.147 -6.564 1.00 0.00 C ATOM 1430 CD1 LEU A 91 0.298 8.312 -5.157 1.00 0.00 C ATOM 1431 CD2 LEU A 91 1.742 6.889 -6.684 1.00 0.00 C ATOM 0 H LEU A 91 -2.217 7.618 -6.084 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.977 10.069 -7.158 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.609 7.139 -7.725 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.211 8.433 -8.577 1.00 0.00 H new ATOM 0 HG LEU A 91 1.530 9.002 -6.746 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.107 8.303 -4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.238 9.259 -5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.389 7.492 -4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.522 6.909 -5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.119 6.006 -6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.201 6.855 -7.672 1.00 0.00 H new ATOM 1443 N LYS A 92 -3.638 9.423 -8.203 1.00 0.00 N ATOM 1444 CA LYS A 92 -4.656 9.580 -9.228 1.00 0.00 C ATOM 1445 C LYS A 92 -4.590 8.396 -10.193 1.00 0.00 C ATOM 1446 O LYS A 92 -5.131 8.458 -11.296 1.00 0.00 O ATOM 1447 CB LYS A 92 -4.522 10.941 -9.913 1.00 0.00 C ATOM 1448 CG LYS A 92 -3.341 10.950 -10.887 1.00 0.00 C ATOM 1449 CD LYS A 92 -3.567 11.959 -12.014 1.00 0.00 C ATOM 1450 CE LYS A 92 -2.788 11.562 -13.270 1.00 0.00 C ATOM 1451 NZ LYS A 92 -1.360 11.924 -13.130 1.00 0.00 N ATOM 0 H LYS A 92 -3.985 9.470 -7.245 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.650 9.571 -8.781 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -5.442 11.175 -10.449 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.384 11.719 -9.162 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.425 11.198 -10.351 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.205 9.954 -11.308 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.630 12.019 -12.245 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.255 12.951 -11.687 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.882 10.489 -13.440 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -3.212 12.061 -14.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.846 11.648 -13.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.274 12.951 -12.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.955 11.428 -12.311 1.00 0.00 H new ATOM 1465 N GLU A 93 -3.922 7.343 -9.744 1.00 0.00 N ATOM 1466 CA GLU A 93 -3.777 6.146 -10.554 1.00 0.00 C ATOM 1467 C GLU A 93 -5.043 5.290 -10.468 1.00 0.00 C ATOM 1468 O GLU A 93 -4.970 4.097 -10.179 1.00 0.00 O ATOM 1469 CB GLU A 93 -2.544 5.345 -10.135 1.00 0.00 C ATOM 1470 CG GLU A 93 -1.258 6.053 -10.566 1.00 0.00 C ATOM 1471 CD GLU A 93 -1.015 5.882 -12.068 1.00 0.00 C ATOM 1472 OE1 GLU A 93 -0.702 4.739 -12.466 1.00 0.00 O ATOM 1473 OE2 GLU A 93 -1.150 6.898 -12.783 1.00 0.00 O ATOM 0 H GLU A 93 -3.475 7.295 -8.828 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.636 6.449 -11.592 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.544 5.210 -9.053 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.583 4.351 -10.580 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.323 7.114 -10.323 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.412 5.650 -10.009 1.00 0.00 H new ATOM 1480 N TYR A 94 -6.173 5.934 -10.722 1.00 0.00 N ATOM 1481 CA TYR A 94 -7.452 5.247 -10.676 1.00 0.00 C ATOM 1482 C TYR A 94 -7.395 3.928 -11.450 1.00 0.00 C ATOM 1483 O TYR A 94 -7.711 2.872 -10.907 1.00 0.00 O ATOM 1484 CB TYR A 94 -8.456 6.180 -11.356 1.00 0.00 C ATOM 1485 CG TYR A 94 -8.391 7.628 -10.866 1.00 0.00 C ATOM 1486 CD1 TYR A 94 -8.139 7.896 -9.536 1.00 0.00 C ATOM 1487 CD2 TYR A 94 -8.584 8.665 -11.755 1.00 0.00 C ATOM 1488 CE1 TYR A 94 -8.077 9.259 -9.075 1.00 0.00 C ATOM 1489 CE2 TYR A 94 -8.523 10.029 -11.294 1.00 0.00 C ATOM 1490 CZ TYR A 94 -8.272 10.258 -9.977 1.00 0.00 C ATOM 1491 OH TYR A 94 -8.214 11.545 -9.541 1.00 0.00 O ATOM 0 H TYR A 94 -6.229 6.924 -10.960 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.726 5.015 -9.647 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -8.281 6.163 -12.432 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -9.463 5.796 -11.191 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.988 7.083 -8.841 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.781 8.455 -12.796 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.880 9.483 -8.037 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.673 10.851 -11.979 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.371 12.153 -10.294 1.00 0.00 H new ATOM 1501 N GLU A 95 -6.987 4.033 -12.706 1.00 0.00 N ATOM 1502 CA GLU A 95 -6.884 2.862 -13.560 1.00 0.00 C ATOM 1503 C GLU A 95 -6.373 1.664 -12.758 1.00 0.00 C ATOM 1504 O GLU A 95 -7.074 0.664 -12.616 1.00 0.00 O ATOM 1505 CB GLU A 95 -5.983 3.140 -14.765 1.00 0.00 C ATOM 1506 CG GLU A 95 -6.670 4.077 -15.760 1.00 0.00 C ATOM 1507 CD GLU A 95 -5.773 4.345 -16.970 1.00 0.00 C ATOM 1508 OE1 GLU A 95 -5.762 3.480 -17.872 1.00 0.00 O ATOM 1509 OE2 GLU A 95 -5.118 5.410 -16.966 1.00 0.00 O ATOM 0 H GLU A 95 -6.724 4.911 -13.153 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.878 2.624 -13.939 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.047 3.585 -14.428 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.731 2.202 -15.259 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.610 3.636 -16.091 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.915 5.019 -15.269 1.00 0.00 H new ATOM 1516 N LYS A 96 -5.156 1.805 -12.254 1.00 0.00 N ATOM 1517 CA LYS A 96 -4.543 0.746 -11.469 1.00 0.00 C ATOM 1518 C LYS A 96 -5.403 0.470 -10.236 1.00 0.00 C ATOM 1519 O LYS A 96 -5.791 -0.672 -9.987 1.00 0.00 O ATOM 1520 CB LYS A 96 -3.089 1.095 -11.142 1.00 0.00 C ATOM 1521 CG LYS A 96 -2.235 1.132 -12.411 1.00 0.00 C ATOM 1522 CD LYS A 96 -0.758 1.342 -12.070 1.00 0.00 C ATOM 1523 CE LYS A 96 0.143 0.593 -13.055 1.00 0.00 C ATOM 1524 NZ LYS A 96 0.637 1.510 -14.106 1.00 0.00 N ATOM 0 H LYS A 96 -4.577 2.636 -12.374 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.502 -0.180 -12.042 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.047 2.063 -10.643 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.682 0.360 -10.447 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.356 0.200 -12.963 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.580 1.935 -13.063 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.523 2.406 -12.093 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.562 0.995 -11.056 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.986 0.152 -12.523 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.410 -0.228 -13.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.247 0.986 -14.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.170 1.911 -14.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.183 2.279 -13.667 1.00 0.00 H new ATOM 1538 N ALA A 97 -5.676 1.533 -9.493 1.00 0.00 N ATOM 1539 CA ALA A 97 -6.483 1.418 -8.291 1.00 0.00 C ATOM 1540 C ALA A 97 -7.629 0.436 -8.541 1.00 0.00 C ATOM 1541 O ALA A 97 -7.691 -0.622 -7.918 1.00 0.00 O ATOM 1542 CB ALA A 97 -6.984 2.804 -7.877 1.00 0.00 C ATOM 0 H ALA A 97 -5.352 2.478 -9.701 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.887 1.026 -7.467 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.590 2.717 -6.975 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.132 3.455 -7.681 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.587 3.228 -8.680 1.00 0.00 H new ATOM 1548 N LEU A 98 -8.507 0.822 -9.456 1.00 0.00 N ATOM 1549 CA LEU A 98 -9.648 -0.012 -9.796 1.00 0.00 C ATOM 1550 C LEU A 98 -9.153 -1.401 -10.204 1.00 0.00 C ATOM 1551 O LEU A 98 -9.519 -2.400 -9.585 1.00 0.00 O ATOM 1552 CB LEU A 98 -10.510 0.671 -10.859 1.00 0.00 C ATOM 1553 CG LEU A 98 -11.658 1.536 -10.337 1.00 0.00 C ATOM 1554 CD1 LEU A 98 -12.652 0.700 -9.527 1.00 0.00 C ATOM 1555 CD2 LEU A 98 -11.127 2.728 -9.537 1.00 0.00 C ATOM 0 H LEU A 98 -8.451 1.700 -9.972 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.296 -0.146 -8.930 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.864 1.294 -11.477 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.927 -0.098 -11.509 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.199 1.938 -11.194 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -13.458 1.340 -9.168 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -13.067 -0.086 -10.159 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.140 0.249 -8.677 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.964 3.327 -9.177 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.548 2.367 -8.687 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.491 3.341 -10.176 1.00 0.00 H new ATOM 1567 N LYS A 99 -8.331 -1.422 -11.243 1.00 0.00 N ATOM 1568 CA LYS A 99 -7.784 -2.672 -11.740 1.00 0.00 C ATOM 1569 C LYS A 99 -7.481 -3.597 -10.559 1.00 0.00 C ATOM 1570 O LYS A 99 -7.571 -4.818 -10.683 1.00 0.00 O ATOM 1571 CB LYS A 99 -6.574 -2.408 -12.639 1.00 0.00 C ATOM 1572 CG LYS A 99 -6.058 -3.708 -13.259 1.00 0.00 C ATOM 1573 CD LYS A 99 -5.030 -3.422 -14.356 1.00 0.00 C ATOM 1574 CE LYS A 99 -4.714 -4.687 -15.155 1.00 0.00 C ATOM 1575 NZ LYS A 99 -3.332 -4.636 -15.681 1.00 0.00 N ATOM 0 H LYS A 99 -8.031 -0.592 -11.754 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.514 -3.183 -12.368 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.849 -1.708 -13.428 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.781 -1.938 -12.058 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.607 -4.330 -12.486 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.892 -4.273 -13.676 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.412 -2.651 -15.025 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.115 -3.032 -13.909 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.836 -5.565 -14.520 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.420 -4.789 -15.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.134 -5.502 -16.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.228 -3.809 -16.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -2.662 -4.561 -14.889 1.00 0.00 H new ATOM 1589 N TYR A 100 -7.130 -2.981 -9.440 1.00 0.00 N ATOM 1590 CA TYR A 100 -6.815 -3.733 -8.238 1.00 0.00 C ATOM 1591 C TYR A 100 -8.060 -3.930 -7.372 1.00 0.00 C ATOM 1592 O TYR A 100 -8.297 -5.022 -6.856 1.00 0.00 O ATOM 1593 CB TYR A 100 -5.799 -2.888 -7.466 1.00 0.00 C ATOM 1594 CG TYR A 100 -4.361 -3.401 -7.563 1.00 0.00 C ATOM 1595 CD1 TYR A 100 -4.100 -4.751 -7.446 1.00 0.00 C ATOM 1596 CD2 TYR A 100 -3.325 -2.513 -7.768 1.00 0.00 C ATOM 1597 CE1 TYR A 100 -2.747 -5.234 -7.536 1.00 0.00 C ATOM 1598 CE2 TYR A 100 -1.971 -2.995 -7.860 1.00 0.00 C ATOM 1599 CZ TYR A 100 -1.749 -4.332 -7.740 1.00 0.00 C ATOM 1600 OH TYR A 100 -0.470 -4.788 -7.826 1.00 0.00 O ATOM 0 H TYR A 100 -7.057 -1.968 -9.341 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.430 -4.720 -8.493 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -5.835 -1.865 -7.839 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -6.092 -2.855 -6.417 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.911 -5.446 -7.287 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -3.529 -1.456 -7.859 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -2.529 -6.288 -7.444 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.151 -2.311 -8.021 1.00 0.00 H new ATOM 0 HH TYR A 100 0.049 -4.198 -8.412 1.00 0.00 H new ATOM 1610 N VAL A 101 -8.824 -2.856 -7.237 1.00 0.00 N ATOM 1611 CA VAL A 101 -10.039 -2.897 -6.442 1.00 0.00 C ATOM 1612 C VAL A 101 -11.077 -3.773 -7.148 1.00 0.00 C ATOM 1613 O VAL A 101 -11.671 -4.657 -6.533 1.00 0.00 O ATOM 1614 CB VAL A 101 -10.539 -1.475 -6.175 1.00 0.00 C ATOM 1615 CG1 VAL A 101 -12.032 -1.353 -6.484 1.00 0.00 C ATOM 1616 CG2 VAL A 101 -10.239 -1.050 -4.736 1.00 0.00 C ATOM 0 H VAL A 101 -8.625 -1.952 -7.665 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.843 -3.346 -5.468 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.003 -0.800 -6.842 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -12.362 -0.333 -6.286 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -12.207 -1.594 -7.532 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -12.592 -2.044 -5.854 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.604 -0.036 -4.572 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.736 -1.731 -4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.163 -1.080 -4.565 1.00 0.00 H new ATOM 1626 N ARG A 102 -11.263 -3.496 -8.431 1.00 0.00 N ATOM 1627 CA ARG A 102 -12.218 -4.247 -9.227 1.00 0.00 C ATOM 1628 C ARG A 102 -11.974 -5.749 -9.071 1.00 0.00 C ATOM 1629 O ARG A 102 -12.894 -6.502 -8.753 1.00 0.00 O ATOM 1630 CB ARG A 102 -12.118 -3.871 -10.707 1.00 0.00 C ATOM 1631 CG ARG A 102 -12.446 -2.393 -10.921 1.00 0.00 C ATOM 1632 CD ARG A 102 -13.850 -2.064 -10.410 1.00 0.00 C ATOM 1633 NE ARG A 102 -14.626 -1.378 -11.468 1.00 0.00 N ATOM 1634 CZ ARG A 102 -15.220 -2.006 -12.490 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -15.132 -3.339 -12.601 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -15.904 -1.303 -13.404 1.00 0.00 N ATOM 0 H ARG A 102 -10.768 -2.762 -8.938 1.00 0.00 H new ATOM 0 HA ARG A 102 -13.217 -3.999 -8.868 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -11.112 -4.080 -11.072 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -12.803 -4.487 -11.289 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.712 -1.775 -10.403 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -12.375 -2.151 -11.981 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -14.360 -2.979 -10.109 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.785 -1.430 -9.526 1.00 0.00 H new ATOM 0 HE ARG A 102 -14.713 -0.363 -11.415 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -14.612 -3.875 -11.906 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -15.585 -3.817 -13.380 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -15.972 -0.289 -13.321 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -16.356 -1.782 -14.182 1.00 0.00 H new ATOM 1650 N GLY A 103 -10.729 -6.142 -9.304 1.00 0.00 N ATOM 1651 CA GLY A 103 -10.353 -7.540 -9.194 1.00 0.00 C ATOM 1652 C GLY A 103 -10.491 -8.033 -7.751 1.00 0.00 C ATOM 1653 O GLY A 103 -10.838 -9.190 -7.517 1.00 0.00 O ATOM 0 H GLY A 103 -9.969 -5.515 -9.568 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.982 -8.142 -9.850 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -9.324 -7.671 -9.530 1.00 0.00 H new ATOM 1657 N LEU A 104 -10.213 -7.131 -6.822 1.00 0.00 N ATOM 1658 CA LEU A 104 -10.302 -7.459 -5.409 1.00 0.00 C ATOM 1659 C LEU A 104 -11.772 -7.625 -5.021 1.00 0.00 C ATOM 1660 O LEU A 104 -12.128 -8.564 -4.310 1.00 0.00 O ATOM 1661 CB LEU A 104 -9.558 -6.419 -4.570 1.00 0.00 C ATOM 1662 CG LEU A 104 -9.888 -6.403 -3.076 1.00 0.00 C ATOM 1663 CD1 LEU A 104 -8.802 -7.115 -2.266 1.00 0.00 C ATOM 1664 CD2 LEU A 104 -10.125 -4.974 -2.582 1.00 0.00 C ATOM 0 H LEU A 104 -9.926 -6.172 -7.020 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.809 -8.410 -5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.487 -6.588 -4.684 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.770 -5.431 -4.979 1.00 0.00 H new ATOM 0 HG LEU A 104 -10.816 -6.955 -2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -9.062 -7.089 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.723 -8.151 -2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.847 -6.613 -2.418 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -10.358 -4.991 -1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.227 -4.378 -2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.959 -4.534 -3.129 1.00 0.00 H new ATOM 1676 N LEU A 105 -12.587 -6.699 -5.504 1.00 0.00 N ATOM 1677 CA LEU A 105 -14.011 -6.732 -5.215 1.00 0.00 C ATOM 1678 C LEU A 105 -14.558 -8.128 -5.523 1.00 0.00 C ATOM 1679 O LEU A 105 -15.482 -8.596 -4.859 1.00 0.00 O ATOM 1680 CB LEU A 105 -14.735 -5.611 -5.963 1.00 0.00 C ATOM 1681 CG LEU A 105 -15.079 -4.368 -5.139 1.00 0.00 C ATOM 1682 CD1 LEU A 105 -15.486 -3.204 -6.046 1.00 0.00 C ATOM 1683 CD2 LEU A 105 -16.151 -4.682 -4.094 1.00 0.00 C ATOM 0 H LEU A 105 -12.289 -5.922 -6.093 1.00 0.00 H new ATOM 0 HA LEU A 105 -14.189 -6.545 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -14.115 -5.304 -6.805 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -15.659 -6.015 -6.377 1.00 0.00 H new ATOM 0 HG LEU A 105 -14.184 -4.058 -4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -15.725 -2.333 -5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -14.663 -2.961 -6.718 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -16.360 -3.488 -6.632 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -16.377 -3.782 -3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -17.055 -5.031 -4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -15.786 -5.457 -3.420 1.00 0.00 H new ATOM 1695 N GLN A 106 -13.964 -8.753 -6.528 1.00 0.00 N ATOM 1696 CA GLN A 106 -14.379 -10.086 -6.930 1.00 0.00 C ATOM 1697 C GLN A 106 -14.144 -11.082 -5.793 1.00 0.00 C ATOM 1698 O GLN A 106 -14.762 -12.145 -5.755 1.00 0.00 O ATOM 1699 CB GLN A 106 -13.652 -10.527 -8.203 1.00 0.00 C ATOM 1700 CG GLN A 106 -14.544 -10.350 -9.433 1.00 0.00 C ATOM 1701 CD GLN A 106 -14.797 -11.691 -10.125 1.00 0.00 C ATOM 1702 OE1 GLN A 106 -14.135 -12.684 -9.869 1.00 0.00 O ATOM 1703 NE2 GLN A 106 -15.785 -11.664 -11.014 1.00 0.00 N ATOM 0 H GLN A 106 -13.198 -8.361 -7.076 1.00 0.00 H new ATOM 0 HA GLN A 106 -15.446 -10.061 -7.150 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.739 -9.945 -8.325 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -13.354 -11.572 -8.113 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -15.494 -9.905 -9.137 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -14.073 -9.659 -10.132 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -16.299 -10.798 -11.179 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -16.029 -12.509 -11.531 1.00 0.00 H new ATOM 1712 N THR A 107 -13.249 -10.702 -4.893 1.00 0.00 N ATOM 1713 CA THR A 107 -12.925 -11.548 -3.756 1.00 0.00 C ATOM 1714 C THR A 107 -13.280 -10.843 -2.447 1.00 0.00 C ATOM 1715 O THR A 107 -13.281 -11.461 -1.384 1.00 0.00 O ATOM 1716 CB THR A 107 -11.448 -11.932 -3.859 1.00 0.00 C ATOM 1717 OG1 THR A 107 -11.386 -13.235 -3.286 1.00 0.00 O ATOM 1718 CG2 THR A 107 -10.557 -11.082 -2.950 1.00 0.00 C ATOM 0 H THR A 107 -12.738 -9.820 -4.928 1.00 0.00 H new ATOM 0 HA THR A 107 -13.515 -12.464 -3.764 1.00 0.00 H new ATOM 0 HB THR A 107 -11.118 -11.827 -4.892 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.462 -13.561 -3.314 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.519 -11.396 -3.062 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.651 -10.032 -3.227 1.00 0.00 H new ATOM 0 HG23 THR A 107 -10.866 -11.212 -1.913 1.00 0.00 H new ATOM 1726 N GLU A 108 -13.573 -9.556 -2.566 1.00 0.00 N ATOM 1727 CA GLU A 108 -13.928 -8.759 -1.405 1.00 0.00 C ATOM 1728 C GLU A 108 -15.166 -7.909 -1.703 1.00 0.00 C ATOM 1729 O GLU A 108 -15.098 -6.681 -1.693 1.00 0.00 O ATOM 1730 CB GLU A 108 -12.756 -7.882 -0.961 1.00 0.00 C ATOM 1731 CG GLU A 108 -11.560 -8.738 -0.538 1.00 0.00 C ATOM 1732 CD GLU A 108 -11.940 -9.686 0.602 1.00 0.00 C ATOM 1733 OE1 GLU A 108 -12.385 -9.165 1.647 1.00 0.00 O ATOM 1734 OE2 GLU A 108 -11.778 -10.909 0.400 1.00 0.00 O ATOM 0 H GLU A 108 -13.572 -9.046 -3.449 1.00 0.00 H new ATOM 0 HA GLU A 108 -14.164 -9.436 -0.584 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.464 -7.220 -1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.066 -7.248 -0.130 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.201 -9.314 -1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.740 -8.093 -0.221 1.00 0.00 H new ATOM 1741 N PRO A 109 -16.297 -8.616 -1.967 1.00 0.00 N ATOM 1742 CA PRO A 109 -17.548 -7.940 -2.268 1.00 0.00 C ATOM 1743 C PRO A 109 -18.172 -7.351 -1.000 1.00 0.00 C ATOM 1744 O PRO A 109 -18.647 -6.217 -1.008 1.00 0.00 O ATOM 1745 CB PRO A 109 -18.420 -8.999 -2.921 1.00 0.00 C ATOM 1746 CG PRO A 109 -17.806 -10.337 -2.543 1.00 0.00 C ATOM 1747 CD PRO A 109 -16.416 -10.070 -1.987 1.00 0.00 C ATOM 0 HA PRO A 109 -17.415 -7.086 -2.933 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -19.449 -8.928 -2.569 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -18.444 -8.872 -4.003 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -18.423 -10.845 -1.802 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -17.750 -10.991 -3.413 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -16.302 -10.490 -0.988 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -15.646 -10.522 -2.613 1.00 0.00 H new ATOM 1755 N GLN A 110 -18.147 -8.147 0.058 1.00 0.00 N ATOM 1756 CA GLN A 110 -18.704 -7.719 1.330 1.00 0.00 C ATOM 1757 C GLN A 110 -17.807 -6.659 1.972 1.00 0.00 C ATOM 1758 O GLN A 110 -18.195 -6.020 2.948 1.00 0.00 O ATOM 1759 CB GLN A 110 -18.904 -8.910 2.270 1.00 0.00 C ATOM 1760 CG GLN A 110 -17.569 -9.381 2.850 1.00 0.00 C ATOM 1761 CD GLN A 110 -17.780 -10.494 3.877 1.00 0.00 C ATOM 1762 OE1 GLN A 110 -18.653 -10.433 4.727 1.00 0.00 O ATOM 1763 NE2 GLN A 110 -16.934 -11.513 3.752 1.00 0.00 N ATOM 0 H GLN A 110 -17.750 -9.086 0.061 1.00 0.00 H new ATOM 0 HA GLN A 110 -19.683 -7.276 1.145 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -19.578 -8.630 3.080 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -19.379 -9.729 1.729 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -16.926 -9.740 2.047 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -17.056 -8.541 3.319 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.226 -11.501 3.018 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -16.993 -12.306 4.390 1.00 0.00 H new ATOM 1772 N ASN A 111 -16.624 -6.504 1.397 1.00 0.00 N ATOM 1773 CA ASN A 111 -15.668 -5.532 1.900 1.00 0.00 C ATOM 1774 C ASN A 111 -16.056 -4.138 1.404 1.00 0.00 C ATOM 1775 O ASN A 111 -15.543 -3.672 0.388 1.00 0.00 O ATOM 1776 CB ASN A 111 -14.255 -5.837 1.397 1.00 0.00 C ATOM 1777 CG ASN A 111 -13.227 -4.919 2.060 1.00 0.00 C ATOM 1778 OD1 ASN A 111 -13.488 -4.273 3.062 1.00 0.00 O ATOM 1779 ND2 ASN A 111 -12.047 -4.896 1.446 1.00 0.00 N ATOM 0 H ASN A 111 -16.305 -7.036 0.587 1.00 0.00 H new ATOM 0 HA ASN A 111 -15.681 -5.579 2.989 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -14.007 -6.878 1.607 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -14.215 -5.712 0.315 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -11.294 -4.313 1.810 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.896 -5.462 0.611 1.00 0.00 H new ATOM 1786 N ASN A 112 -16.957 -3.511 2.144 1.00 0.00 N ATOM 1787 CA ASN A 112 -17.420 -2.180 1.793 1.00 0.00 C ATOM 1788 C ASN A 112 -16.226 -1.329 1.355 1.00 0.00 C ATOM 1789 O ASN A 112 -16.316 -0.579 0.384 1.00 0.00 O ATOM 1790 CB ASN A 112 -18.078 -1.490 2.990 1.00 0.00 C ATOM 1791 CG ASN A 112 -19.062 -2.429 3.690 1.00 0.00 C ATOM 1792 OD1 ASN A 112 -18.727 -3.137 4.626 1.00 0.00 O ATOM 1793 ND2 ASN A 112 -20.292 -2.398 3.186 1.00 0.00 N ATOM 0 H ASN A 112 -17.380 -3.901 2.987 1.00 0.00 H new ATOM 0 HA ASN A 112 -18.149 -2.279 0.989 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -17.312 -1.168 3.695 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -18.600 -0.593 2.656 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -21.021 -2.990 3.584 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -20.506 -1.782 2.401 1.00 0.00 H new ATOM 1800 N GLN A 113 -15.135 -1.474 2.092 1.00 0.00 N ATOM 1801 CA GLN A 113 -13.925 -0.728 1.793 1.00 0.00 C ATOM 1802 C GLN A 113 -13.610 -0.805 0.297 1.00 0.00 C ATOM 1803 O GLN A 113 -13.233 0.194 -0.314 1.00 0.00 O ATOM 1804 CB GLN A 113 -12.747 -1.235 2.627 1.00 0.00 C ATOM 1805 CG GLN A 113 -13.027 -1.081 4.123 1.00 0.00 C ATOM 1806 CD GLN A 113 -12.288 -2.148 4.932 1.00 0.00 C ATOM 1807 OE1 GLN A 113 -11.809 -3.140 4.409 1.00 0.00 O ATOM 1808 NE2 GLN A 113 -12.223 -1.889 6.235 1.00 0.00 N ATOM 0 H GLN A 113 -15.064 -2.098 2.896 1.00 0.00 H new ATOM 0 HA GLN A 113 -14.092 0.316 2.057 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -12.557 -2.283 2.395 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -11.846 -0.682 2.363 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -12.718 -0.090 4.454 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -14.099 -1.158 4.306 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -12.646 -1.039 6.608 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -11.750 -2.541 6.862 1.00 0.00 H new ATOM 1817 N ALA A 114 -13.779 -2.000 -0.250 1.00 0.00 N ATOM 1818 CA ALA A 114 -13.518 -2.220 -1.662 1.00 0.00 C ATOM 1819 C ALA A 114 -14.630 -1.572 -2.489 1.00 0.00 C ATOM 1820 O ALA A 114 -14.393 -1.117 -3.607 1.00 0.00 O ATOM 1821 CB ALA A 114 -13.390 -3.721 -1.930 1.00 0.00 C ATOM 0 H ALA A 114 -14.093 -2.826 0.259 1.00 0.00 H new ATOM 0 HA ALA A 114 -12.577 -1.756 -1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -13.194 -3.886 -2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -12.567 -4.127 -1.341 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.317 -4.221 -1.650 1.00 0.00 H new ATOM 1827 N LYS A 115 -15.821 -1.552 -1.907 1.00 0.00 N ATOM 1828 CA LYS A 115 -16.971 -0.968 -2.575 1.00 0.00 C ATOM 1829 C LYS A 115 -16.830 0.555 -2.586 1.00 0.00 C ATOM 1830 O LYS A 115 -16.979 1.189 -3.630 1.00 0.00 O ATOM 1831 CB LYS A 115 -18.270 -1.461 -1.936 1.00 0.00 C ATOM 1832 CG LYS A 115 -18.780 -2.724 -2.633 1.00 0.00 C ATOM 1833 CD LYS A 115 -20.258 -2.963 -2.322 1.00 0.00 C ATOM 1834 CE LYS A 115 -21.048 -3.254 -3.600 1.00 0.00 C ATOM 1835 NZ LYS A 115 -22.488 -2.981 -3.392 1.00 0.00 N ATOM 0 H LYS A 115 -16.014 -1.931 -0.980 1.00 0.00 H new ATOM 0 HA LYS A 115 -17.012 -1.292 -3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -18.104 -1.667 -0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -19.027 -0.679 -1.993 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -18.642 -2.630 -3.710 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -18.193 -3.584 -2.310 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -20.357 -3.800 -1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -20.675 -2.087 -1.824 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -20.669 -2.639 -4.417 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -20.907 -4.295 -3.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -23.010 -3.183 -4.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -22.849 -3.586 -2.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -22.618 -1.982 -3.135 1.00 0.00 H new ATOM 1849 N GLU A 116 -16.543 1.099 -1.412 1.00 0.00 N ATOM 1850 CA GLU A 116 -16.381 2.536 -1.274 1.00 0.00 C ATOM 1851 C GLU A 116 -15.300 3.044 -2.232 1.00 0.00 C ATOM 1852 O GLU A 116 -15.577 3.861 -3.108 1.00 0.00 O ATOM 1853 CB GLU A 116 -16.052 2.915 0.172 1.00 0.00 C ATOM 1854 CG GLU A 116 -17.328 3.056 1.005 1.00 0.00 C ATOM 1855 CD GLU A 116 -17.839 4.498 0.985 1.00 0.00 C ATOM 1856 OE1 GLU A 116 -18.561 4.831 0.020 1.00 0.00 O ATOM 1857 OE2 GLU A 116 -17.495 5.235 1.933 1.00 0.00 O ATOM 0 H GLU A 116 -16.419 0.571 -0.548 1.00 0.00 H new ATOM 0 HA GLU A 116 -17.325 3.014 -1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -15.407 2.155 0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.497 3.853 0.189 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -18.097 2.389 0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -17.131 2.750 2.033 1.00 0.00 H new ATOM 1864 N LEU A 117 -14.092 2.538 -2.032 1.00 0.00 N ATOM 1865 CA LEU A 117 -12.969 2.928 -2.866 1.00 0.00 C ATOM 1866 C LEU A 117 -13.441 3.067 -4.316 1.00 0.00 C ATOM 1867 O LEU A 117 -13.343 4.143 -4.903 1.00 0.00 O ATOM 1868 CB LEU A 117 -11.804 1.952 -2.689 1.00 0.00 C ATOM 1869 CG LEU A 117 -10.445 2.580 -2.374 1.00 0.00 C ATOM 1870 CD1 LEU A 117 -9.303 1.662 -2.812 1.00 0.00 C ATOM 1871 CD2 LEU A 117 -10.329 3.975 -2.995 1.00 0.00 C ATOM 0 H LEU A 117 -13.867 1.861 -1.304 1.00 0.00 H new ATOM 0 HA LEU A 117 -12.587 3.902 -2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -12.056 1.258 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -11.707 1.363 -3.601 1.00 0.00 H new ATOM 0 HG LEU A 117 -10.366 2.700 -1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.348 2.132 -2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -9.379 0.711 -2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.367 1.489 -3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -9.354 4.400 -2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -10.438 3.902 -4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -11.113 4.618 -2.594 1.00 0.00 H new ATOM 1883 N GLU A 118 -13.942 1.963 -4.850 1.00 0.00 N ATOM 1884 CA GLU A 118 -14.428 1.947 -6.218 1.00 0.00 C ATOM 1885 C GLU A 118 -15.164 3.252 -6.535 1.00 0.00 C ATOM 1886 O GLU A 118 -14.780 3.979 -7.450 1.00 0.00 O ATOM 1887 CB GLU A 118 -15.329 0.737 -6.467 1.00 0.00 C ATOM 1888 CG GLU A 118 -15.801 0.693 -7.921 1.00 0.00 C ATOM 1889 CD GLU A 118 -17.276 1.086 -8.031 1.00 0.00 C ATOM 1890 OE1 GLU A 118 -18.107 0.330 -7.484 1.00 0.00 O ATOM 1891 OE2 GLU A 118 -17.538 2.135 -8.660 1.00 0.00 O ATOM 0 H GLU A 118 -14.022 1.073 -4.359 1.00 0.00 H new ATOM 0 HA GLU A 118 -13.571 1.863 -6.886 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -14.788 -0.179 -6.229 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -16.192 0.779 -5.802 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -15.195 1.369 -8.524 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -15.657 -0.310 -8.324 1.00 0.00 H new ATOM 1898 N ARG A 119 -16.207 3.508 -5.759 1.00 0.00 N ATOM 1899 CA ARG A 119 -16.999 4.712 -5.946 1.00 0.00 C ATOM 1900 C ARG A 119 -16.145 5.955 -5.693 1.00 0.00 C ATOM 1901 O ARG A 119 -16.265 6.951 -6.405 1.00 0.00 O ATOM 1902 CB ARG A 119 -18.204 4.730 -5.003 1.00 0.00 C ATOM 1903 CG ARG A 119 -19.434 4.109 -5.670 1.00 0.00 C ATOM 1904 CD ARG A 119 -20.681 4.957 -5.420 1.00 0.00 C ATOM 1905 NE ARG A 119 -21.873 4.087 -5.314 1.00 0.00 N ATOM 1906 CZ ARG A 119 -23.133 4.540 -5.260 1.00 0.00 C ATOM 1907 NH1 ARG A 119 -23.373 5.858 -5.303 1.00 0.00 N ATOM 1908 NH2 ARG A 119 -24.153 3.677 -5.165 1.00 0.00 N ATOM 0 H ARG A 119 -16.522 2.903 -5.000 1.00 0.00 H new ATOM 0 HA ARG A 119 -17.356 4.716 -6.976 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -17.965 4.182 -4.092 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -18.425 5.756 -4.709 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -19.262 4.016 -6.742 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -19.592 3.102 -5.284 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -20.560 5.535 -4.504 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -20.813 5.672 -6.232 1.00 0.00 H new ATOM 0 HE ARG A 119 -21.726 3.078 -5.280 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -22.597 6.516 -5.377 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -24.332 6.203 -5.262 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -23.971 2.674 -5.134 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -25.112 4.023 -5.124 1.00 0.00 H new ATOM 1922 N LEU A 120 -15.299 5.856 -4.677 1.00 0.00 N ATOM 1923 CA LEU A 120 -14.424 6.960 -4.322 1.00 0.00 C ATOM 1924 C LEU A 120 -13.624 7.388 -5.554 1.00 0.00 C ATOM 1925 O LEU A 120 -13.666 8.550 -5.954 1.00 0.00 O ATOM 1926 CB LEU A 120 -13.553 6.588 -3.121 1.00 0.00 C ATOM 1927 CG LEU A 120 -14.288 6.392 -1.793 1.00 0.00 C ATOM 1928 CD1 LEU A 120 -13.344 5.847 -0.720 1.00 0.00 C ATOM 1929 CD2 LEU A 120 -14.974 7.685 -1.351 1.00 0.00 C ATOM 0 H LEU A 120 -15.201 5.028 -4.089 1.00 0.00 H new ATOM 0 HA LEU A 120 -15.009 7.824 -4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -13.018 5.668 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -12.803 7.367 -2.986 1.00 0.00 H new ATOM 0 HG LEU A 120 -15.070 5.648 -1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -13.891 5.717 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -12.943 4.886 -1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -12.525 6.549 -0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -15.489 7.519 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -14.227 8.468 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -15.696 7.991 -2.108 1.00 0.00 H new ATOM 1941 N ILE A 121 -12.913 6.425 -6.122 1.00 0.00 N ATOM 1942 CA ILE A 121 -12.104 6.687 -7.300 1.00 0.00 C ATOM 1943 C ILE A 121 -13.011 7.145 -8.444 1.00 0.00 C ATOM 1944 O ILE A 121 -12.737 8.155 -9.091 1.00 0.00 O ATOM 1945 CB ILE A 121 -11.247 5.467 -7.645 1.00 0.00 C ATOM 1946 CG1 ILE A 121 -10.279 5.138 -6.507 1.00 0.00 C ATOM 1947 CG2 ILE A 121 -10.523 5.664 -8.977 1.00 0.00 C ATOM 1948 CD1 ILE A 121 -10.403 3.672 -6.088 1.00 0.00 C ATOM 0 H ILE A 121 -12.880 5.462 -5.788 1.00 0.00 H new ATOM 0 HA ILE A 121 -11.400 7.497 -7.106 1.00 0.00 H new ATOM 0 HB ILE A 121 -11.907 4.608 -7.763 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.257 5.344 -6.824 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -10.484 5.783 -5.652 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -9.921 4.782 -9.198 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -11.255 5.812 -9.771 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -9.875 6.539 -8.913 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -9.704 3.465 -5.278 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -11.420 3.475 -5.749 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.173 3.030 -6.938 1.00 0.00 H new ATOM 1960 N ASP A 122 -14.071 6.381 -8.658 1.00 0.00 N ATOM 1961 CA ASP A 122 -15.020 6.696 -9.713 1.00 0.00 C ATOM 1962 C ASP A 122 -15.331 8.193 -9.682 1.00 0.00 C ATOM 1963 O ASP A 122 -15.481 8.822 -10.729 1.00 0.00 O ATOM 1964 CB ASP A 122 -16.333 5.936 -9.518 1.00 0.00 C ATOM 1965 CG ASP A 122 -17.094 5.619 -10.807 1.00 0.00 C ATOM 1966 OD1 ASP A 122 -17.644 6.576 -11.391 1.00 0.00 O ATOM 1967 OD2 ASP A 122 -17.109 4.425 -11.179 1.00 0.00 O ATOM 0 H ASP A 122 -14.294 5.544 -8.119 1.00 0.00 H new ATOM 0 HA ASP A 122 -14.574 6.407 -10.665 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -16.121 5.001 -9.000 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -16.981 6.522 -8.866 1.00 0.00 H new ATOM 1972 N LYS A 123 -15.421 8.722 -8.471 1.00 0.00 N ATOM 1973 CA LYS A 123 -15.712 10.133 -8.290 1.00 0.00 C ATOM 1974 C LYS A 123 -14.451 10.951 -8.576 1.00 0.00 C ATOM 1975 O LYS A 123 -14.513 11.979 -9.248 1.00 0.00 O ATOM 1976 CB LYS A 123 -16.307 10.385 -6.903 1.00 0.00 C ATOM 1977 CG LYS A 123 -17.836 10.391 -6.953 1.00 0.00 C ATOM 1978 CD LYS A 123 -18.431 10.495 -5.548 1.00 0.00 C ATOM 1979 CE LYS A 123 -19.879 10.003 -5.528 1.00 0.00 C ATOM 1980 NZ LYS A 123 -20.815 11.148 -5.476 1.00 0.00 N ATOM 0 H LYS A 123 -15.297 8.198 -7.605 1.00 0.00 H new ATOM 0 HA LYS A 123 -16.472 10.459 -9.001 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -15.966 9.614 -6.212 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -15.949 11.340 -6.518 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -18.180 11.228 -7.560 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -18.191 9.480 -7.435 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -17.834 9.906 -4.852 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -18.390 11.530 -5.208 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -20.078 9.403 -6.416 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -20.038 9.357 -4.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -21.794 10.796 -5.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -20.636 11.704 -4.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -20.675 11.749 -6.313 1.00 0.00 H new ATOM 1994 N ALA A 124 -13.337 10.463 -8.050 1.00 0.00 N ATOM 1995 CA ALA A 124 -12.063 11.136 -8.241 1.00 0.00 C ATOM 1996 C ALA A 124 -11.817 11.338 -9.737 1.00 0.00 C ATOM 1997 O ALA A 124 -11.481 12.439 -10.171 1.00 0.00 O ATOM 1998 CB ALA A 124 -10.952 10.324 -7.571 1.00 0.00 C ATOM 0 H ALA A 124 -13.290 9.610 -7.492 1.00 0.00 H new ATOM 0 HA ALA A 124 -12.075 12.121 -7.774 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -9.996 10.828 -7.714 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -11.159 10.234 -6.505 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -10.908 9.330 -8.017 1.00 0.00 H new ATOM 2004 N MET A 125 -11.991 10.258 -10.484 1.00 0.00 N ATOM 2005 CA MET A 125 -11.793 10.303 -11.923 1.00 0.00 C ATOM 2006 C MET A 125 -12.448 11.547 -12.528 1.00 0.00 C ATOM 2007 O MET A 125 -11.830 12.254 -13.323 1.00 0.00 O ATOM 2008 CB MET A 125 -12.391 9.048 -12.561 1.00 0.00 C ATOM 2009 CG MET A 125 -11.646 7.792 -12.104 1.00 0.00 C ATOM 2010 SD MET A 125 -12.521 6.333 -12.644 1.00 0.00 S ATOM 2011 CE MET A 125 -11.141 5.275 -13.044 1.00 0.00 C ATOM 0 H MET A 125 -12.267 9.346 -10.120 1.00 0.00 H new ATOM 0 HA MET A 125 -10.722 10.346 -12.122 1.00 0.00 H new ATOM 0 HB2 MET A 125 -13.445 8.967 -12.295 1.00 0.00 H new ATOM 0 HB3 MET A 125 -12.342 9.129 -13.647 1.00 0.00 H new ATOM 0 HG2 MET A 125 -10.635 7.791 -12.511 1.00 0.00 H new ATOM 0 HG3 MET A 125 -11.553 7.789 -11.018 1.00 0.00 H new ATOM 0 HE1 MET A 125 -11.442 4.558 -13.808 1.00 0.00 H new ATOM 0 HE2 MET A 125 -10.315 5.880 -13.419 1.00 0.00 H new ATOM 0 HE3 MET A 125 -10.822 4.740 -12.150 1.00 0.00 H new ATOM 2021 N LYS A 126 -13.690 11.775 -12.129 1.00 0.00 N ATOM 2022 CA LYS A 126 -14.436 12.920 -12.623 1.00 0.00 C ATOM 2023 C LYS A 126 -13.885 14.195 -11.984 1.00 0.00 C ATOM 2024 O LYS A 126 -13.736 15.216 -12.656 1.00 0.00 O ATOM 2025 CB LYS A 126 -15.936 12.719 -12.400 1.00 0.00 C ATOM 2026 CG LYS A 126 -16.677 12.592 -13.733 1.00 0.00 C ATOM 2027 CD LYS A 126 -17.470 13.863 -14.043 1.00 0.00 C ATOM 2028 CE LYS A 126 -17.893 13.899 -15.513 1.00 0.00 C ATOM 2029 NZ LYS A 126 -18.803 15.040 -15.762 1.00 0.00 N ATOM 0 H LYS A 126 -14.199 11.187 -11.469 1.00 0.00 H new ATOM 0 HA LYS A 126 -14.309 13.022 -13.701 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -16.101 11.823 -11.801 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -16.339 13.559 -11.835 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -15.962 12.401 -14.534 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -17.352 11.737 -13.698 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -18.353 13.910 -13.405 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -16.864 14.739 -13.813 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -17.012 13.983 -16.149 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -18.390 12.965 -15.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -19.081 15.050 -16.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -19.652 14.943 -15.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -18.317 15.929 -15.528 1.00 0.00 H new ATOM 2043 N LYS A 127 -13.596 14.096 -10.695 1.00 0.00 N ATOM 2044 CA LYS A 127 -13.065 15.230 -9.958 1.00 0.00 C ATOM 2045 C LYS A 127 -11.672 15.574 -10.493 1.00 0.00 C ATOM 2046 O LYS A 127 -10.664 15.150 -9.929 1.00 0.00 O ATOM 2047 CB LYS A 127 -13.094 14.953 -8.454 1.00 0.00 C ATOM 2048 CG LYS A 127 -14.532 14.877 -7.938 1.00 0.00 C ATOM 2049 CD LYS A 127 -14.648 13.883 -6.781 1.00 0.00 C ATOM 2050 CE LYS A 127 -15.856 14.207 -5.899 1.00 0.00 C ATOM 2051 NZ LYS A 127 -15.418 14.794 -4.614 1.00 0.00 N ATOM 0 H LYS A 127 -13.720 13.248 -10.142 1.00 0.00 H new ATOM 0 HA LYS A 127 -13.692 16.109 -10.109 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -12.578 14.016 -8.243 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -12.555 15.739 -7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -14.856 15.864 -7.608 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -15.197 14.577 -8.748 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -14.741 12.871 -7.174 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -13.738 13.909 -6.182 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -16.516 14.903 -6.417 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -16.432 13.300 -5.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -16.250 15.008 -4.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -14.807 14.117 -4.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -14.888 15.670 -4.795 1.00 0.00 H new