USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 810 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 9 MET CE :methyl 161:sc= -0.803 (180deg=-1.86) USER MOD Set 1.2: A 85 HIS : no HD1:sc= -2.43! C(o=-3.2!,f=-4.2!) USER MOD Set 2.1: A 42 GLN : amide:sc= -1.32! X(o=-1.7!,f=-1.9) USER MOD Set 2.2: A 98 THR OG1 : rot -98:sc= -0.376 USER MOD Set 3.1: A 29 THR OG1 : rot 107:sc= 0.908 USER MOD Set 3.2: A 31 SER OG : rot 180:sc= 0.797 USER MOD Single : A 1 GLY N :NH3+ 142:sc= 0.0571 (180deg=0) USER MOD Single : A 2 SER OG : rot -90:sc= 0.524 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 130:sc= 0.00445 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -5.21! K(o=-5.2!,f=-3.8) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -178:sc= -5.82! (180deg=-5.9!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -2.92 K(o=-2.9,f=-11!) USER MOD Single : A 40 GLN : amide:sc= -5.23! C(o=-5.2!,f=-8.5!) USER MOD Single : A 46 HIS : no HD1:sc= -2.52! C(o=-2.5!,f=-6.9!) USER MOD Single : A 47 ASN : amide:sc= -3.52! C(o=-3.5!,f=-3.3!) USER MOD Single : A 48 GLN : amide:sc= -9.24! C(o=-9.2!,f=-19!) USER MOD Single : A 49 THR OG1 : rot 85:sc= 1.28 USER MOD Single : A 51 SER OG : rot -179:sc= -0.235 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0234 USER MOD Single : A 53 ASN : amide:sc=-0.00693 K(o=-0.0069,f=-3.9!) USER MOD Single : A 55 ASN : amide:sc= -0.1 K(o=-0.1,f=-1.3) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.724 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc=0.000922 USER MOD Single : A 71 MET CE :methyl -177:sc= -3.59! (180deg=-3.95!) USER MOD Single : A 75 ASN : amide:sc= -0.0219 X(o=-0.022,f=-0.44) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 150:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.588 X(o=-0.59,f=-0.2) USER MOD Single : A 87 SER OG : rot 110:sc= -1.32 USER MOD Single : A 88 MET CE :methyl -120:sc= -2.26! (180deg=-5.29!) USER MOD Single : A 90 TYR OH : rot 180:sc= -1.14 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.520 14.632 9.960 1.00 0.00 N ATOM 2 CA GLY A 1 6.279 14.279 10.628 1.00 0.00 C ATOM 3 C GLY A 1 5.081 14.467 9.694 1.00 0.00 C ATOM 4 O GLY A 1 5.134 15.272 8.766 1.00 0.00 O ATOM 0 H1 GLY A 1 8.152 15.112 10.632 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.982 13.770 9.607 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.316 15.267 9.162 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.324 13.243 10.963 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.152 14.897 11.517 1.00 0.00 H new ATOM 8 N SER A 2 4.030 13.711 9.974 1.00 0.00 N ATOM 9 CA SER A 2 2.821 13.785 9.171 1.00 0.00 C ATOM 10 C SER A 2 2.005 15.017 9.565 1.00 0.00 C ATOM 11 O SER A 2 1.132 14.938 10.428 1.00 0.00 O ATOM 12 CB SER A 2 1.978 12.517 9.328 1.00 0.00 C ATOM 13 OG SER A 2 2.339 11.515 8.381 1.00 0.00 O ATOM 0 H SER A 2 3.990 13.045 10.745 1.00 0.00 H new ATOM 0 HA SER A 2 3.111 13.870 8.124 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.100 12.123 10.337 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.923 12.766 9.208 1.00 0.00 H new ATOM 0 HG SER A 2 1.800 11.623 7.569 1.00 0.00 H new ATOM 19 N SER A 3 2.318 16.128 8.914 1.00 0.00 N ATOM 20 CA SER A 3 1.624 17.375 9.186 1.00 0.00 C ATOM 21 C SER A 3 0.518 17.595 8.153 1.00 0.00 C ATOM 22 O SER A 3 0.755 18.183 7.099 1.00 0.00 O ATOM 23 CB SER A 3 2.596 18.558 9.183 1.00 0.00 C ATOM 24 OG SER A 3 2.939 18.970 10.503 1.00 0.00 O ATOM 0 H SER A 3 3.043 16.190 8.199 1.00 0.00 H new ATOM 0 HA SER A 3 1.177 17.308 10.178 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.501 18.282 8.643 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.147 19.394 8.647 1.00 0.00 H new ATOM 0 HG SER A 3 3.562 19.725 10.458 1.00 0.00 H new ATOM 30 N GLY A 4 -0.668 17.111 8.491 1.00 0.00 N ATOM 31 CA GLY A 4 -1.812 17.247 7.606 1.00 0.00 C ATOM 32 C GLY A 4 -3.089 16.737 8.277 1.00 0.00 C ATOM 33 O GLY A 4 -3.171 16.683 9.503 1.00 0.00 O ATOM 0 H GLY A 4 -0.861 16.624 9.366 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.937 18.293 7.326 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.633 16.690 6.686 1.00 0.00 H new ATOM 37 N SER A 5 -4.054 16.376 7.444 1.00 0.00 N ATOM 38 CA SER A 5 -5.323 15.873 7.942 1.00 0.00 C ATOM 39 C SER A 5 -5.099 14.585 8.737 1.00 0.00 C ATOM 40 O SER A 5 -4.019 14.000 8.686 1.00 0.00 O ATOM 41 CB SER A 5 -6.305 15.625 6.795 1.00 0.00 C ATOM 42 OG SER A 5 -7.565 16.249 7.028 1.00 0.00 O ATOM 0 H SER A 5 -3.983 16.422 6.428 1.00 0.00 H new ATOM 0 HA SER A 5 -5.756 16.627 8.599 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.880 16.003 5.865 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.450 14.552 6.667 1.00 0.00 H new ATOM 0 HG SER A 5 -8.164 16.069 6.273 1.00 0.00 H new ATOM 48 N SER A 6 -6.139 14.181 9.453 1.00 0.00 N ATOM 49 CA SER A 6 -6.069 12.973 10.257 1.00 0.00 C ATOM 50 C SER A 6 -6.844 11.844 9.574 1.00 0.00 C ATOM 51 O SER A 6 -6.287 10.783 9.299 1.00 0.00 O ATOM 52 CB SER A 6 -6.617 13.217 11.665 1.00 0.00 C ATOM 53 OG SER A 6 -5.734 14.012 12.451 1.00 0.00 O ATOM 0 H SER A 6 -7.034 14.669 9.493 1.00 0.00 H new ATOM 0 HA SER A 6 -5.022 12.683 10.348 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.586 13.712 11.596 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.782 12.260 12.161 1.00 0.00 H new ATOM 0 HG SER A 6 -6.120 14.147 13.342 1.00 0.00 H new ATOM 59 N GLY A 7 -8.116 12.112 9.321 1.00 0.00 N ATOM 60 CA GLY A 7 -8.973 11.132 8.675 1.00 0.00 C ATOM 61 C GLY A 7 -8.798 9.750 9.308 1.00 0.00 C ATOM 62 O GLY A 7 -8.377 9.639 10.458 1.00 0.00 O ATOM 0 H GLY A 7 -8.574 12.994 9.551 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.014 11.444 8.756 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.737 11.082 7.612 1.00 0.00 H new ATOM 66 N THR A 8 -9.132 8.731 8.529 1.00 0.00 N ATOM 67 CA THR A 8 -9.018 7.361 8.999 1.00 0.00 C ATOM 68 C THR A 8 -7.652 6.782 8.625 1.00 0.00 C ATOM 69 O THR A 8 -7.140 7.040 7.536 1.00 0.00 O ATOM 70 CB THR A 8 -10.192 6.566 8.426 1.00 0.00 C ATOM 71 OG1 THR A 8 -11.342 7.189 8.992 1.00 0.00 O ATOM 72 CG2 THR A 8 -10.245 5.133 8.961 1.00 0.00 C ATOM 0 H THR A 8 -9.482 8.827 7.576 1.00 0.00 H new ATOM 0 HA THR A 8 -9.072 7.309 10.086 1.00 0.00 H new ATOM 0 HB THR A 8 -10.120 6.546 7.339 1.00 0.00 H new ATOM 0 HG1 THR A 8 -12.150 6.737 8.672 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.097 4.612 8.523 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.325 4.611 8.696 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.351 5.153 10.046 1.00 0.00 H new ATOM 80 N MET A 9 -7.100 6.008 9.548 1.00 0.00 N ATOM 81 CA MET A 9 -5.804 5.390 9.330 1.00 0.00 C ATOM 82 C MET A 9 -5.897 3.867 9.438 1.00 0.00 C ATOM 83 O MET A 9 -6.549 3.344 10.341 1.00 0.00 O ATOM 84 CB MET A 9 -4.806 5.915 10.364 1.00 0.00 C ATOM 85 CG MET A 9 -3.461 5.195 10.244 1.00 0.00 C ATOM 86 SD MET A 9 -2.952 4.582 11.841 1.00 0.00 S ATOM 87 CE MET A 9 -3.902 3.073 11.911 1.00 0.00 C ATOM 0 H MET A 9 -7.528 5.795 10.449 1.00 0.00 H new ATOM 0 HA MET A 9 -5.467 5.644 8.325 1.00 0.00 H new ATOM 0 HB2 MET A 9 -4.662 6.986 10.225 1.00 0.00 H new ATOM 0 HB3 MET A 9 -5.209 5.775 11.367 1.00 0.00 H new ATOM 0 HG2 MET A 9 -3.543 4.369 9.538 1.00 0.00 H new ATOM 0 HG3 MET A 9 -2.708 5.877 9.850 1.00 0.00 H new ATOM 0 HE1 MET A 9 -3.471 2.406 12.657 1.00 0.00 H new ATOM 0 HE2 MET A 9 -4.932 3.304 12.183 1.00 0.00 H new ATOM 0 HE3 MET A 9 -3.884 2.586 10.936 1.00 0.00 H new ATOM 97 N LEU A 10 -5.237 3.197 8.505 1.00 0.00 N ATOM 98 CA LEU A 10 -5.238 1.744 8.484 1.00 0.00 C ATOM 99 C LEU A 10 -3.800 1.236 8.606 1.00 0.00 C ATOM 100 O LEU A 10 -2.855 1.951 8.275 1.00 0.00 O ATOM 101 CB LEU A 10 -5.970 1.226 7.245 1.00 0.00 C ATOM 102 CG LEU A 10 -7.498 1.289 7.293 1.00 0.00 C ATOM 103 CD1 LEU A 10 -8.113 0.621 6.062 1.00 0.00 C ATOM 104 CD2 LEU A 10 -8.030 0.691 8.597 1.00 0.00 C ATOM 0 H LEU A 10 -4.698 3.634 7.758 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.789 1.351 9.338 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.630 1.797 6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.674 0.190 7.079 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.798 2.337 7.274 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.200 0.680 6.121 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.770 1.131 5.162 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.808 -0.425 6.025 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.118 0.748 8.606 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.721 -0.351 8.672 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.630 1.250 9.443 1.00 0.00 H new ATOM 116 N ARG A 11 -3.679 0.005 9.082 1.00 0.00 N ATOM 117 CA ARG A 11 -2.372 -0.607 9.252 1.00 0.00 C ATOM 118 C ARG A 11 -2.041 -1.492 8.049 1.00 0.00 C ATOM 119 O ARG A 11 -2.763 -2.444 7.756 1.00 0.00 O ATOM 120 CB ARG A 11 -2.320 -1.450 10.527 1.00 0.00 C ATOM 121 CG ARG A 11 -1.593 -0.705 11.648 1.00 0.00 C ATOM 122 CD ARG A 11 -1.571 -1.535 12.934 1.00 0.00 C ATOM 123 NE ARG A 11 -1.691 -0.647 14.111 1.00 0.00 N ATOM 124 CZ ARG A 11 -1.314 -0.988 15.351 1.00 0.00 C ATOM 125 NH1 ARG A 11 -0.790 -2.199 15.583 1.00 0.00 N ATOM 126 NH2 ARG A 11 -1.460 -0.117 16.359 1.00 0.00 N ATOM 0 H ARG A 11 -4.465 -0.585 9.355 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.638 0.195 9.331 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.333 -1.696 10.846 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.812 -2.393 10.323 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.572 -0.481 11.338 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.086 0.249 11.835 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.390 -2.255 12.926 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.645 -2.106 12.992 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.085 0.283 13.970 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.678 -2.862 14.816 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.503 -2.458 16.527 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.858 0.805 16.182 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.173 -0.376 17.303 1.00 0.00 H new ATOM 140 N VAL A 12 -0.947 -1.148 7.384 1.00 0.00 N ATOM 141 CA VAL A 12 -0.511 -1.899 6.220 1.00 0.00 C ATOM 142 C VAL A 12 0.861 -2.514 6.500 1.00 0.00 C ATOM 143 O VAL A 12 1.871 -1.812 6.502 1.00 0.00 O ATOM 144 CB VAL A 12 -0.522 -1.000 4.982 1.00 0.00 C ATOM 145 CG1 VAL A 12 0.273 -1.632 3.838 1.00 0.00 C ATOM 146 CG2 VAL A 12 -1.954 -0.685 4.546 1.00 0.00 C ATOM 0 H VAL A 12 -0.350 -0.359 7.630 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.199 -2.719 6.015 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.038 -0.060 5.247 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.249 -0.973 2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.306 -1.781 4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.169 -2.593 3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.933 -0.045 3.664 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.474 -1.613 4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.476 -0.173 5.354 1.00 0.00 H new ATOM 156 N ARG A 13 0.854 -3.819 6.730 1.00 0.00 N ATOM 157 CA ARG A 13 2.086 -4.537 7.010 1.00 0.00 C ATOM 158 C ARG A 13 2.843 -4.820 5.711 1.00 0.00 C ATOM 159 O ARG A 13 2.300 -5.432 4.793 1.00 0.00 O ATOM 160 CB ARG A 13 1.803 -5.859 7.726 1.00 0.00 C ATOM 161 CG ARG A 13 3.096 -6.639 7.968 1.00 0.00 C ATOM 162 CD ARG A 13 3.529 -6.541 9.433 1.00 0.00 C ATOM 163 NE ARG A 13 3.531 -7.885 10.051 1.00 0.00 N ATOM 164 CZ ARG A 13 3.585 -8.104 11.372 1.00 0.00 C ATOM 165 NH1 ARG A 13 3.642 -7.069 12.221 1.00 0.00 N ATOM 166 NH2 ARG A 13 3.583 -9.358 11.844 1.00 0.00 N ATOM 0 H ARG A 13 0.014 -4.398 6.728 1.00 0.00 H new ATOM 0 HA ARG A 13 2.695 -3.909 7.660 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.309 -5.663 8.678 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.118 -6.461 7.129 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.950 -7.685 7.697 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.885 -6.250 7.325 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.524 -6.100 9.498 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.852 -5.882 9.977 1.00 0.00 H new ATOM 0 HE ARG A 13 3.489 -8.696 9.433 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.644 -6.114 11.862 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.683 -7.236 13.226 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.540 -10.146 11.198 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.624 -9.525 12.849 1.00 0.00 H new ATOM 180 N SER A 14 4.085 -4.360 5.675 1.00 0.00 N ATOM 181 CA SER A 14 4.922 -4.556 4.504 1.00 0.00 C ATOM 182 C SER A 14 6.255 -5.187 4.913 1.00 0.00 C ATOM 183 O SER A 14 6.562 -5.283 6.100 1.00 0.00 O ATOM 184 CB SER A 14 5.164 -3.234 3.772 1.00 0.00 C ATOM 185 OG SER A 14 5.726 -2.244 4.630 1.00 0.00 O ATOM 0 H SER A 14 4.532 -3.852 6.438 1.00 0.00 H new ATOM 0 HA SER A 14 4.403 -5.229 3.822 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.832 -3.404 2.928 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.222 -2.868 3.364 1.00 0.00 H new ATOM 0 HG SER A 14 6.513 -1.848 4.201 1.00 0.00 H new ATOM 191 N ARG A 15 7.010 -5.602 3.906 1.00 0.00 N ATOM 192 CA ARG A 15 8.302 -6.221 4.146 1.00 0.00 C ATOM 193 C ARG A 15 9.129 -5.368 5.110 1.00 0.00 C ATOM 194 O ARG A 15 9.593 -5.859 6.138 1.00 0.00 O ATOM 195 CB ARG A 15 9.078 -6.400 2.840 1.00 0.00 C ATOM 196 CG ARG A 15 8.274 -7.226 1.833 1.00 0.00 C ATOM 197 CD ARG A 15 9.200 -7.952 0.856 1.00 0.00 C ATOM 198 NE ARG A 15 9.597 -9.264 1.415 1.00 0.00 N ATOM 199 CZ ARG A 15 8.820 -10.356 1.392 1.00 0.00 C ATOM 200 NH1 ARG A 15 7.601 -10.300 0.839 1.00 0.00 N ATOM 201 NH2 ARG A 15 9.263 -11.504 1.923 1.00 0.00 N ATOM 0 H ARG A 15 6.751 -5.522 2.923 1.00 0.00 H new ATOM 0 HA ARG A 15 8.123 -7.202 4.586 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.309 -5.424 2.413 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.029 -6.892 3.043 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.657 -7.952 2.363 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.596 -6.574 1.281 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.696 -8.092 -0.100 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.086 -7.347 0.663 1.00 0.00 H new ATOM 0 HE ARG A 15 10.519 -9.342 1.844 1.00 0.00 H new ATOM 0 HH11 ARG A 15 7.264 -9.426 0.435 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.010 -11.131 0.822 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.191 -11.546 2.344 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.672 -12.335 1.906 1.00 0.00 H new ATOM 215 N ASP A 16 9.290 -4.105 4.743 1.00 0.00 N ATOM 216 CA ASP A 16 10.053 -3.179 5.562 1.00 0.00 C ATOM 217 C ASP A 16 9.659 -3.359 7.029 1.00 0.00 C ATOM 218 O ASP A 16 10.515 -3.346 7.912 1.00 0.00 O ATOM 219 CB ASP A 16 9.764 -1.729 5.169 1.00 0.00 C ATOM 220 CG ASP A 16 10.977 -0.940 4.672 1.00 0.00 C ATOM 221 OD1 ASP A 16 11.496 -1.314 3.598 1.00 0.00 O ATOM 222 OD2 ASP A 16 11.357 0.020 5.376 1.00 0.00 O ATOM 0 H ASP A 16 8.905 -3.701 3.889 1.00 0.00 H new ATOM 0 HA ASP A 16 11.112 -3.389 5.411 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.002 -1.725 4.389 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.341 -1.212 6.031 1.00 0.00 H new ATOM 227 N GLY A 17 8.362 -3.521 7.245 1.00 0.00 N ATOM 228 CA GLY A 17 7.843 -3.703 8.590 1.00 0.00 C ATOM 229 C GLY A 17 6.328 -3.498 8.626 1.00 0.00 C ATOM 230 O GLY A 17 5.578 -4.275 8.038 1.00 0.00 O ATOM 0 H GLY A 17 7.654 -3.530 6.510 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.086 -4.704 8.945 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.325 -2.999 9.268 1.00 0.00 H new ATOM 234 N LEU A 18 5.922 -2.446 9.323 1.00 0.00 N ATOM 235 CA LEU A 18 4.509 -2.128 9.444 1.00 0.00 C ATOM 236 C LEU A 18 4.288 -0.659 9.079 1.00 0.00 C ATOM 237 O LEU A 18 4.592 0.233 9.870 1.00 0.00 O ATOM 238 CB LEU A 18 3.993 -2.501 10.835 1.00 0.00 C ATOM 239 CG LEU A 18 2.658 -1.876 11.245 1.00 0.00 C ATOM 240 CD1 LEU A 18 1.485 -2.612 10.595 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.525 -1.817 12.768 1.00 0.00 C ATOM 0 H LEU A 18 6.547 -1.803 9.810 1.00 0.00 H new ATOM 0 HA LEU A 18 3.923 -2.722 8.743 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.895 -3.585 10.886 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.746 -2.215 11.569 1.00 0.00 H new ATOM 0 HG LEU A 18 2.635 -0.849 10.880 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.548 -2.147 10.903 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.577 -2.558 9.510 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.492 -3.656 10.908 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.567 -1.369 13.033 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.579 -2.826 13.177 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.334 -1.214 13.181 1.00 0.00 H new ATOM 253 N GLU A 19 3.761 -0.452 7.881 1.00 0.00 N ATOM 254 CA GLU A 19 3.496 0.894 7.402 1.00 0.00 C ATOM 255 C GLU A 19 2.007 1.219 7.530 1.00 0.00 C ATOM 256 O GLU A 19 1.170 0.317 7.551 1.00 0.00 O ATOM 257 CB GLU A 19 3.973 1.066 5.959 1.00 0.00 C ATOM 258 CG GLU A 19 5.491 1.243 5.900 1.00 0.00 C ATOM 259 CD GLU A 19 6.031 0.899 4.511 1.00 0.00 C ATOM 260 OE1 GLU A 19 5.283 1.135 3.537 1.00 0.00 O ATOM 261 OE2 GLU A 19 7.178 0.406 4.453 1.00 0.00 O ATOM 0 H GLU A 19 3.510 -1.194 7.228 1.00 0.00 H new ATOM 0 HA GLU A 19 4.055 1.596 8.021 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.682 0.196 5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.485 1.932 5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.750 2.272 6.150 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.964 0.605 6.646 1.00 0.00 H new ATOM 268 N ARG A 20 1.720 2.510 7.613 1.00 0.00 N ATOM 269 CA ARG A 20 0.346 2.965 7.738 1.00 0.00 C ATOM 270 C ARG A 20 -0.007 3.910 6.588 1.00 0.00 C ATOM 271 O ARG A 20 0.877 4.520 5.987 1.00 0.00 O ATOM 272 CB ARG A 20 0.125 3.688 9.069 1.00 0.00 C ATOM 273 CG ARG A 20 1.173 4.782 9.280 1.00 0.00 C ATOM 274 CD ARG A 20 0.606 5.931 10.115 1.00 0.00 C ATOM 275 NE ARG A 20 0.334 7.100 9.249 1.00 0.00 N ATOM 276 CZ ARG A 20 1.250 8.021 8.920 1.00 0.00 C ATOM 277 NH1 ARG A 20 2.503 7.915 9.383 1.00 0.00 N ATOM 278 NH2 ARG A 20 0.913 9.048 8.128 1.00 0.00 N ATOM 0 H ARG A 20 2.416 3.255 7.596 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.299 2.087 7.702 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.873 4.127 9.087 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.173 2.971 9.889 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.047 4.362 9.779 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.508 5.160 8.314 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.312 5.613 10.610 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.312 6.205 10.899 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.610 7.212 8.879 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.760 7.133 9.986 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.200 8.616 9.133 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.041 9.129 7.776 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.610 9.749 7.878 1.00 0.00 H new ATOM 292 N VAL A 21 -1.300 4.002 6.315 1.00 0.00 N ATOM 293 CA VAL A 21 -1.781 4.862 5.247 1.00 0.00 C ATOM 294 C VAL A 21 -3.094 5.518 5.679 1.00 0.00 C ATOM 295 O VAL A 21 -3.883 4.917 6.407 1.00 0.00 O ATOM 296 CB VAL A 21 -1.911 4.062 3.950 1.00 0.00 C ATOM 297 CG1 VAL A 21 -2.296 4.972 2.781 1.00 0.00 C ATOM 298 CG2 VAL A 21 -0.622 3.296 3.646 1.00 0.00 C ATOM 0 H VAL A 21 -2.030 3.495 6.815 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.067 5.662 5.050 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.710 3.333 4.085 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.382 4.378 1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.251 5.452 2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.529 5.735 2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.742 2.736 2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.203 4.000 3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.408 2.606 4.462 1.00 0.00 H new ATOM 308 N SER A 22 -3.288 6.743 5.212 1.00 0.00 N ATOM 309 CA SER A 22 -4.491 7.487 5.541 1.00 0.00 C ATOM 310 C SER A 22 -5.523 7.336 4.421 1.00 0.00 C ATOM 311 O SER A 22 -5.193 7.483 3.245 1.00 0.00 O ATOM 312 CB SER A 22 -4.177 8.966 5.777 1.00 0.00 C ATOM 313 OG SER A 22 -5.246 9.640 6.436 1.00 0.00 O ATOM 0 H SER A 22 -2.632 7.238 4.608 1.00 0.00 H new ATOM 0 HA SER A 22 -4.903 7.079 6.464 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.270 9.053 6.375 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.977 9.451 4.822 1.00 0.00 H new ATOM 0 HG SER A 22 -5.006 10.581 6.570 1.00 0.00 H new ATOM 319 N VAL A 23 -6.750 7.044 4.825 1.00 0.00 N ATOM 320 CA VAL A 23 -7.831 6.871 3.870 1.00 0.00 C ATOM 321 C VAL A 23 -8.924 7.906 4.150 1.00 0.00 C ATOM 322 O VAL A 23 -8.715 8.840 4.923 1.00 0.00 O ATOM 323 CB VAL A 23 -8.346 5.431 3.917 1.00 0.00 C ATOM 324 CG1 VAL A 23 -7.211 4.436 3.665 1.00 0.00 C ATOM 325 CG2 VAL A 23 -9.044 5.141 5.247 1.00 0.00 C ATOM 0 H VAL A 23 -7.020 6.923 5.801 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.474 7.041 2.854 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.081 5.311 3.121 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.603 3.420 3.704 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.777 4.620 2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.444 4.558 4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.400 4.111 5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.340 5.287 6.067 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.889 5.818 5.370 1.00 0.00 H new ATOM 335 N ASP A 24 -10.064 7.704 3.507 1.00 0.00 N ATOM 336 CA ASP A 24 -11.189 8.607 3.677 1.00 0.00 C ATOM 337 C ASP A 24 -12.269 7.918 4.514 1.00 0.00 C ATOM 338 O ASP A 24 -12.801 8.507 5.454 1.00 0.00 O ATOM 339 CB ASP A 24 -11.805 8.981 2.327 1.00 0.00 C ATOM 340 CG ASP A 24 -10.906 9.822 1.418 1.00 0.00 C ATOM 341 OD1 ASP A 24 -9.990 10.470 1.968 1.00 0.00 O ATOM 342 OD2 ASP A 24 -11.156 9.797 0.194 1.00 0.00 O ATOM 0 H ASP A 24 -10.233 6.928 2.867 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.825 9.509 4.170 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -12.074 8.065 1.801 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.730 9.529 2.506 1.00 0.00 H new ATOM 347 N GLY A 25 -12.560 6.680 4.142 1.00 0.00 N ATOM 348 CA GLY A 25 -13.567 5.904 4.847 1.00 0.00 C ATOM 349 C GLY A 25 -13.895 4.615 4.091 1.00 0.00 C ATOM 350 O GLY A 25 -13.210 4.263 3.132 1.00 0.00 O ATOM 0 H GLY A 25 -12.116 6.195 3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -13.210 5.662 5.848 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.472 6.500 4.967 1.00 0.00 H new ATOM 354 N PRO A 26 -14.970 3.929 4.563 1.00 0.00 N ATOM 355 CA PRO A 26 -15.396 2.687 3.942 1.00 0.00 C ATOM 356 C PRO A 26 -16.107 2.954 2.614 1.00 0.00 C ATOM 357 O PRO A 26 -16.134 2.093 1.736 1.00 0.00 O ATOM 358 CB PRO A 26 -16.293 2.020 4.972 1.00 0.00 C ATOM 359 CG PRO A 26 -16.709 3.119 5.937 1.00 0.00 C ATOM 360 CD PRO A 26 -15.804 4.316 5.697 1.00 0.00 C ATOM 0 HA PRO A 26 -14.560 2.038 3.682 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.163 1.567 4.497 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -15.763 1.223 5.493 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -17.752 3.391 5.779 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -16.622 2.775 6.968 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.383 5.212 5.475 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.199 4.537 6.576 1.00 0.00 H new ATOM 368 N HIS A 27 -16.666 4.151 2.508 1.00 0.00 N ATOM 369 CA HIS A 27 -17.375 4.542 1.302 1.00 0.00 C ATOM 370 C HIS A 27 -16.480 4.311 0.083 1.00 0.00 C ATOM 371 O HIS A 27 -16.970 4.205 -1.041 1.00 0.00 O ATOM 372 CB HIS A 27 -17.872 5.985 1.408 1.00 0.00 C ATOM 373 CG HIS A 27 -16.809 6.971 1.830 1.00 0.00 C ATOM 374 ND1 HIS A 27 -17.002 8.341 1.798 1.00 0.00 N ATOM 375 CD2 HIS A 27 -15.542 6.772 2.294 1.00 0.00 C ATOM 376 CE1 HIS A 27 -15.895 8.930 2.226 1.00 0.00 C ATOM 377 NE2 HIS A 27 -14.991 7.955 2.532 1.00 0.00 N ATOM 0 H HIS A 27 -16.642 4.863 3.238 1.00 0.00 H new ATOM 0 HA HIS A 27 -18.263 3.921 1.180 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -18.275 6.292 0.443 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -18.694 6.024 2.123 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -17.852 8.817 1.496 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -15.067 5.813 2.443 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.736 9.994 2.317 1.00 0.00 H new ATOM 385 N ILE A 28 -15.183 4.238 0.346 1.00 0.00 N ATOM 386 CA ILE A 28 -14.215 4.021 -0.716 1.00 0.00 C ATOM 387 C ILE A 28 -14.083 2.520 -0.981 1.00 0.00 C ATOM 388 O ILE A 28 -14.366 1.704 -0.105 1.00 0.00 O ATOM 389 CB ILE A 28 -12.889 4.705 -0.379 1.00 0.00 C ATOM 390 CG1 ILE A 28 -12.154 3.959 0.736 1.00 0.00 C ATOM 391 CG2 ILE A 28 -13.104 6.181 -0.036 1.00 0.00 C ATOM 392 CD1 ILE A 28 -10.949 3.196 0.184 1.00 0.00 C ATOM 0 H ILE A 28 -14.780 4.325 1.279 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.557 4.480 -1.644 1.00 0.00 H new ATOM 0 HB ILE A 28 -12.253 4.669 -1.263 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.823 4.667 1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.837 3.264 1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -12.145 6.643 0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -13.553 6.691 -0.888 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.767 6.262 0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -10.445 2.675 0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -11.286 2.472 -0.558 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.257 3.897 -0.282 1.00 0.00 H new ATOM 404 N THR A 29 -13.654 2.201 -2.193 1.00 0.00 N ATOM 405 CA THR A 29 -13.481 0.813 -2.585 1.00 0.00 C ATOM 406 C THR A 29 -12.003 0.421 -2.522 1.00 0.00 C ATOM 407 O THR A 29 -11.138 1.276 -2.335 1.00 0.00 O ATOM 408 CB THR A 29 -14.099 0.632 -3.972 1.00 0.00 C ATOM 409 OG1 THR A 29 -13.448 1.615 -4.773 1.00 0.00 O ATOM 410 CG2 THR A 29 -15.575 1.036 -4.013 1.00 0.00 C ATOM 0 H THR A 29 -13.421 2.881 -2.917 1.00 0.00 H new ATOM 0 HA THR A 29 -13.993 0.141 -1.896 1.00 0.00 H new ATOM 0 HB THR A 29 -13.999 -0.408 -4.281 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.813 1.177 -5.377 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.965 0.888 -5.020 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.140 0.422 -3.311 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.673 2.086 -3.737 1.00 0.00 H new ATOM 418 N VAL A 30 -11.759 -0.871 -2.683 1.00 0.00 N ATOM 419 CA VAL A 30 -10.401 -1.386 -2.647 1.00 0.00 C ATOM 420 C VAL A 30 -9.537 -0.604 -3.637 1.00 0.00 C ATOM 421 O VAL A 30 -8.434 -0.175 -3.301 1.00 0.00 O ATOM 422 CB VAL A 30 -10.406 -2.892 -2.918 1.00 0.00 C ATOM 423 CG1 VAL A 30 -8.996 -3.397 -3.234 1.00 0.00 C ATOM 424 CG2 VAL A 30 -11.011 -3.659 -1.740 1.00 0.00 C ATOM 0 H VAL A 30 -12.479 -1.577 -2.839 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.966 -1.248 -1.657 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.031 -3.073 -3.793 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.028 -4.470 -3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.615 -2.884 -4.117 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.339 -3.197 -2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.003 -4.727 -1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.424 -3.468 -0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.038 -3.329 -1.580 1.00 0.00 H new ATOM 434 N SER A 31 -10.071 -0.441 -4.839 1.00 0.00 N ATOM 435 CA SER A 31 -9.362 0.283 -5.881 1.00 0.00 C ATOM 436 C SER A 31 -8.818 1.601 -5.325 1.00 0.00 C ATOM 437 O SER A 31 -7.646 1.921 -5.514 1.00 0.00 O ATOM 438 CB SER A 31 -10.270 0.548 -7.083 1.00 0.00 C ATOM 439 OG SER A 31 -11.489 1.181 -6.702 1.00 0.00 O ATOM 0 H SER A 31 -10.986 -0.798 -5.114 1.00 0.00 H new ATOM 0 HA SER A 31 -8.529 -0.333 -6.219 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.745 1.176 -7.803 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.492 -0.394 -7.584 1.00 0.00 H new ATOM 0 HG SER A 31 -12.040 1.334 -7.497 1.00 0.00 H new ATOM 445 N GLN A 32 -9.697 2.329 -4.651 1.00 0.00 N ATOM 446 CA GLN A 32 -9.319 3.605 -4.067 1.00 0.00 C ATOM 447 C GLN A 32 -8.280 3.397 -2.964 1.00 0.00 C ATOM 448 O GLN A 32 -7.456 4.274 -2.709 1.00 0.00 O ATOM 449 CB GLN A 32 -10.546 4.347 -3.532 1.00 0.00 C ATOM 450 CG GLN A 32 -11.550 4.625 -4.653 1.00 0.00 C ATOM 451 CD GLN A 32 -12.097 6.050 -4.557 1.00 0.00 C ATOM 452 OE1 GLN A 32 -11.424 7.023 -4.855 1.00 0.00 O ATOM 453 NE2 GLN A 32 -13.353 6.120 -4.125 1.00 0.00 N ATOM 0 H GLN A 32 -10.669 2.060 -4.497 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.873 4.222 -4.847 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -11.022 3.754 -2.751 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -10.236 5.287 -3.075 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.070 4.480 -5.621 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.372 3.911 -4.595 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.861 5.266 -3.892 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.809 7.027 -4.026 1.00 0.00 H new ATOM 462 N LEU A 33 -8.353 2.231 -2.339 1.00 0.00 N ATOM 463 CA LEU A 33 -7.428 1.897 -1.268 1.00 0.00 C ATOM 464 C LEU A 33 -6.041 1.640 -1.860 1.00 0.00 C ATOM 465 O LEU A 33 -5.061 2.258 -1.446 1.00 0.00 O ATOM 466 CB LEU A 33 -7.968 0.730 -0.439 1.00 0.00 C ATOM 467 CG LEU A 33 -7.038 0.195 0.652 1.00 0.00 C ATOM 468 CD1 LEU A 33 -6.303 1.338 1.354 1.00 0.00 C ATOM 469 CD2 LEU A 33 -7.802 -0.688 1.640 1.00 0.00 C ATOM 0 H LEU A 33 -9.038 1.506 -2.553 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.330 2.732 -0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.901 1.044 0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.210 -0.089 -1.116 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.282 -0.432 0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.649 0.931 2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.707 1.889 0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.029 2.010 1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.117 -1.055 2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.594 -0.106 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.240 -1.533 1.109 1.00 0.00 H new ATOM 481 N LYS A 34 -6.002 0.728 -2.820 1.00 0.00 N ATOM 482 CA LYS A 34 -4.751 0.382 -3.473 1.00 0.00 C ATOM 483 C LYS A 34 -4.028 1.663 -3.893 1.00 0.00 C ATOM 484 O LYS A 34 -2.916 1.930 -3.439 1.00 0.00 O ATOM 485 CB LYS A 34 -5.000 -0.590 -4.628 1.00 0.00 C ATOM 486 CG LYS A 34 -5.986 -1.686 -4.219 1.00 0.00 C ATOM 487 CD LYS A 34 -5.721 -2.979 -4.993 1.00 0.00 C ATOM 488 CE LYS A 34 -4.660 -3.830 -4.292 1.00 0.00 C ATOM 489 NZ LYS A 34 -3.420 -3.049 -4.090 1.00 0.00 N ATOM 0 H LYS A 34 -6.817 0.218 -3.161 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.093 -0.143 -2.781 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.391 -0.046 -5.488 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.057 -1.041 -4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.902 -1.875 -3.149 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.006 -1.350 -4.404 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.646 -3.548 -5.085 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.391 -2.741 -6.004 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.040 -4.176 -3.331 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.445 -4.717 -4.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.699 -3.651 -3.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.069 -2.711 -5.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.619 -2.234 -3.475 1.00 0.00 H new ATOM 503 N THR A 35 -4.689 2.422 -4.754 1.00 0.00 N ATOM 504 CA THR A 35 -4.124 3.669 -5.240 1.00 0.00 C ATOM 505 C THR A 35 -3.445 4.428 -4.098 1.00 0.00 C ATOM 506 O THR A 35 -2.271 4.781 -4.195 1.00 0.00 O ATOM 507 CB THR A 35 -5.243 4.464 -5.917 1.00 0.00 C ATOM 508 OG1 THR A 35 -5.476 3.766 -7.137 1.00 0.00 O ATOM 509 CG2 THR A 35 -4.786 5.854 -6.364 1.00 0.00 C ATOM 0 H THR A 35 -5.611 2.197 -5.128 1.00 0.00 H new ATOM 0 HA THR A 35 -3.343 3.487 -5.978 1.00 0.00 H new ATOM 0 HB THR A 35 -6.084 4.562 -5.231 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.189 4.213 -7.639 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.618 6.375 -6.838 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.448 6.422 -5.497 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.966 5.756 -7.076 1.00 0.00 H new ATOM 517 N LEU A 36 -4.213 4.656 -3.043 1.00 0.00 N ATOM 518 CA LEU A 36 -3.701 5.367 -1.884 1.00 0.00 C ATOM 519 C LEU A 36 -2.319 4.816 -1.524 1.00 0.00 C ATOM 520 O LEU A 36 -1.309 5.493 -1.711 1.00 0.00 O ATOM 521 CB LEU A 36 -4.706 5.308 -0.732 1.00 0.00 C ATOM 522 CG LEU A 36 -5.793 6.384 -0.735 1.00 0.00 C ATOM 523 CD1 LEU A 36 -6.798 6.152 0.395 1.00 0.00 C ATOM 524 CD2 LEU A 36 -5.180 7.784 -0.679 1.00 0.00 C ATOM 0 H LEU A 36 -5.186 4.361 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.574 6.426 -2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.189 4.331 -0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.157 5.377 0.207 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.342 6.311 -1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.560 6.931 0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.271 5.178 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.281 6.181 1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.975 8.530 -0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.590 7.887 0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.537 7.935 -1.546 1.00 0.00 H new ATOM 536 N ILE A 37 -2.320 3.593 -1.013 1.00 0.00 N ATOM 537 CA ILE A 37 -1.079 2.944 -0.625 1.00 0.00 C ATOM 538 C ILE A 37 -0.096 2.991 -1.796 1.00 0.00 C ATOM 539 O ILE A 37 1.081 3.299 -1.612 1.00 0.00 O ATOM 540 CB ILE A 37 -1.353 1.531 -0.108 1.00 0.00 C ATOM 541 CG1 ILE A 37 -2.111 1.570 1.220 1.00 0.00 C ATOM 542 CG2 ILE A 37 -0.057 0.723 -0.005 1.00 0.00 C ATOM 543 CD1 ILE A 37 -3.210 0.507 1.256 1.00 0.00 C ATOM 0 H ILE A 37 -3.160 3.035 -0.859 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.613 3.477 0.204 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.993 1.022 -0.829 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.416 1.408 2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.550 2.557 1.363 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.281 -0.278 0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.406 0.651 -0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.628 1.220 0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.733 0.557 2.211 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.916 0.686 0.446 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.765 -0.481 1.137 1.00 0.00 H new ATOM 555 N GLN A 38 -0.614 2.681 -2.976 1.00 0.00 N ATOM 556 CA GLN A 38 0.203 2.683 -4.177 1.00 0.00 C ATOM 557 C GLN A 38 0.902 4.035 -4.340 1.00 0.00 C ATOM 558 O GLN A 38 1.999 4.108 -4.891 1.00 0.00 O ATOM 559 CB GLN A 38 -0.635 2.347 -5.411 1.00 0.00 C ATOM 560 CG GLN A 38 -0.023 2.957 -6.673 1.00 0.00 C ATOM 561 CD GLN A 38 -0.710 4.276 -7.034 1.00 0.00 C ATOM 562 OE1 GLN A 38 -0.885 5.160 -6.211 1.00 0.00 O ATOM 563 NE2 GLN A 38 -1.089 4.359 -8.306 1.00 0.00 N ATOM 0 H GLN A 38 -1.590 2.427 -3.125 1.00 0.00 H new ATOM 0 HA GLN A 38 0.966 1.911 -4.076 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.705 1.265 -5.523 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.650 2.720 -5.278 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.042 3.128 -6.519 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.116 2.256 -7.502 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.912 3.582 -8.943 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.557 5.200 -8.645 1.00 0.00 H new ATOM 572 N ASP A 39 0.237 5.072 -3.852 1.00 0.00 N ATOM 573 CA ASP A 39 0.780 6.416 -3.937 1.00 0.00 C ATOM 574 C ASP A 39 1.667 6.682 -2.718 1.00 0.00 C ATOM 575 O ASP A 39 2.877 6.855 -2.853 1.00 0.00 O ATOM 576 CB ASP A 39 -0.336 7.462 -3.946 1.00 0.00 C ATOM 577 CG ASP A 39 -0.082 8.672 -4.847 1.00 0.00 C ATOM 578 OD1 ASP A 39 1.101 8.887 -5.188 1.00 0.00 O ATOM 579 OD2 ASP A 39 -1.076 9.356 -5.174 1.00 0.00 O ATOM 0 H ASP A 39 -0.673 5.008 -3.396 1.00 0.00 H new ATOM 0 HA ASP A 39 1.351 6.490 -4.862 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.262 6.981 -4.262 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.492 7.814 -2.926 1.00 0.00 H new ATOM 584 N GLN A 40 1.030 6.706 -1.557 1.00 0.00 N ATOM 585 CA GLN A 40 1.745 6.947 -0.316 1.00 0.00 C ATOM 586 C GLN A 40 2.982 6.050 -0.233 1.00 0.00 C ATOM 587 O GLN A 40 4.097 6.539 -0.054 1.00 0.00 O ATOM 588 CB GLN A 40 0.832 6.735 0.894 1.00 0.00 C ATOM 589 CG GLN A 40 0.021 7.996 1.196 1.00 0.00 C ATOM 590 CD GLN A 40 -0.966 7.753 2.340 1.00 0.00 C ATOM 591 OE1 GLN A 40 -0.594 7.429 3.456 1.00 0.00 O ATOM 592 NE2 GLN A 40 -2.240 7.926 2.001 1.00 0.00 N ATOM 0 H GLN A 40 0.026 6.562 -1.450 1.00 0.00 H new ATOM 0 HA GLN A 40 2.072 7.987 -0.305 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.157 5.901 0.703 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.431 6.467 1.764 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.695 8.811 1.459 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.521 8.306 0.303 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.482 8.198 1.048 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.976 7.787 2.694 1.00 0.00 H new ATOM 601 N LEU A 41 2.743 4.754 -0.366 1.00 0.00 N ATOM 602 CA LEU A 41 3.824 3.784 -0.309 1.00 0.00 C ATOM 603 C LEU A 41 4.606 3.820 -1.623 1.00 0.00 C ATOM 604 O LEU A 41 5.737 3.340 -1.691 1.00 0.00 O ATOM 605 CB LEU A 41 3.282 2.398 0.047 1.00 0.00 C ATOM 606 CG LEU A 41 2.433 2.316 1.317 1.00 0.00 C ATOM 607 CD1 LEU A 41 2.477 0.908 1.915 1.00 0.00 C ATOM 608 CD2 LEU A 41 2.855 3.383 2.329 1.00 0.00 C ATOM 0 H LEU A 41 1.817 4.353 -0.513 1.00 0.00 H new ATOM 0 HA LEU A 41 4.524 4.041 0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.684 2.038 -0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.126 1.716 0.153 1.00 0.00 H new ATOM 0 HG LEU A 41 1.396 2.520 1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.866 0.876 2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.091 0.192 1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.506 0.651 2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.236 3.302 3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.901 3.236 2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.730 4.372 1.889 1.00 0.00 H new ATOM 620 N GLN A 42 3.973 4.393 -2.636 1.00 0.00 N ATOM 621 CA GLN A 42 4.595 4.498 -3.945 1.00 0.00 C ATOM 622 C GLN A 42 4.820 3.106 -4.539 1.00 0.00 C ATOM 623 O GLN A 42 5.858 2.846 -5.145 1.00 0.00 O ATOM 624 CB GLN A 42 5.908 5.279 -3.867 1.00 0.00 C ATOM 625 CG GLN A 42 5.648 6.787 -3.836 1.00 0.00 C ATOM 626 CD GLN A 42 4.886 7.237 -5.084 1.00 0.00 C ATOM 627 OE1 GLN A 42 5.213 6.882 -6.205 1.00 0.00 O ATOM 628 NE2 GLN A 42 3.854 8.037 -4.829 1.00 0.00 N ATOM 0 H GLN A 42 3.035 4.790 -2.577 1.00 0.00 H new ATOM 0 HA GLN A 42 3.922 5.048 -4.602 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.459 4.983 -2.974 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.534 5.032 -4.724 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.076 7.043 -2.944 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.596 7.322 -3.771 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.635 8.296 -3.867 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.282 8.392 -5.595 1.00 0.00 H new ATOM 637 N ILE A 43 3.830 2.247 -4.343 1.00 0.00 N ATOM 638 CA ILE A 43 3.907 0.888 -4.851 1.00 0.00 C ATOM 639 C ILE A 43 2.848 0.694 -5.938 1.00 0.00 C ATOM 640 O ILE A 43 1.740 1.219 -5.831 1.00 0.00 O ATOM 641 CB ILE A 43 3.804 -0.120 -3.705 1.00 0.00 C ATOM 642 CG1 ILE A 43 4.843 0.174 -2.621 1.00 0.00 C ATOM 643 CG2 ILE A 43 3.907 -1.555 -4.225 1.00 0.00 C ATOM 644 CD1 ILE A 43 4.622 -0.713 -1.394 1.00 0.00 C ATOM 0 H ILE A 43 2.970 2.466 -3.839 1.00 0.00 H new ATOM 0 HA ILE A 43 4.877 0.709 -5.315 1.00 0.00 H new ATOM 0 HB ILE A 43 2.821 -0.015 -3.245 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.845 0.009 -3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.784 1.223 -2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.831 -2.251 -3.390 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.098 -1.745 -4.931 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.865 -1.693 -4.726 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.374 -0.484 -0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.629 -0.527 -0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.706 -1.761 -1.683 1.00 0.00 H new ATOM 656 N PRO A 44 3.235 -0.082 -6.986 1.00 0.00 N ATOM 657 CA PRO A 44 2.331 -0.351 -8.091 1.00 0.00 C ATOM 658 C PRO A 44 1.261 -1.369 -7.689 1.00 0.00 C ATOM 659 O PRO A 44 1.576 -2.417 -7.129 1.00 0.00 O ATOM 660 CB PRO A 44 3.224 -0.843 -9.219 1.00 0.00 C ATOM 661 CG PRO A 44 4.526 -1.272 -8.562 1.00 0.00 C ATOM 662 CD PRO A 44 4.538 -0.720 -7.146 1.00 0.00 C ATOM 0 HA PRO A 44 1.770 0.531 -8.400 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.761 -1.675 -9.749 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.397 -0.055 -9.952 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.607 -2.359 -8.549 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.380 -0.896 -9.126 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.683 -1.513 -6.413 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.349 -0.005 -7.007 1.00 0.00 H new ATOM 670 N ILE A 45 0.018 -1.023 -7.991 1.00 0.00 N ATOM 671 CA ILE A 45 -1.100 -1.893 -7.668 1.00 0.00 C ATOM 672 C ILE A 45 -0.768 -3.324 -8.096 1.00 0.00 C ATOM 673 O ILE A 45 -0.733 -4.231 -7.267 1.00 0.00 O ATOM 674 CB ILE A 45 -2.394 -1.352 -8.280 1.00 0.00 C ATOM 675 CG1 ILE A 45 -2.521 0.155 -8.050 1.00 0.00 C ATOM 676 CG2 ILE A 45 -3.610 -2.117 -7.754 1.00 0.00 C ATOM 677 CD1 ILE A 45 -3.981 0.603 -8.148 1.00 0.00 C ATOM 0 H ILE A 45 -0.239 -0.152 -8.456 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.268 -1.913 -6.591 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.355 -1.511 -9.358 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.123 0.412 -7.068 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.922 0.691 -8.786 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.517 -1.713 -8.204 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.516 -3.172 -8.012 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.665 -2.012 -6.670 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.044 1.678 -7.981 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.368 0.367 -9.139 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.572 0.083 -7.394 1.00 0.00 H new ATOM 689 N HIS A 46 -0.532 -3.480 -9.390 1.00 0.00 N ATOM 690 CA HIS A 46 -0.204 -4.785 -9.939 1.00 0.00 C ATOM 691 C HIS A 46 0.728 -5.526 -8.978 1.00 0.00 C ATOM 692 O HIS A 46 0.712 -6.754 -8.915 1.00 0.00 O ATOM 693 CB HIS A 46 0.380 -4.651 -11.347 1.00 0.00 C ATOM 694 CG HIS A 46 1.000 -3.304 -11.629 1.00 0.00 C ATOM 695 ND1 HIS A 46 0.247 -2.162 -11.843 1.00 0.00 N ATOM 696 CD2 HIS A 46 2.307 -2.927 -11.729 1.00 0.00 C ATOM 697 CE1 HIS A 46 1.074 -1.151 -12.062 1.00 0.00 C ATOM 698 NE2 HIS A 46 2.351 -1.627 -11.991 1.00 0.00 N ATOM 0 H HIS A 46 -0.561 -2.724 -10.075 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.112 -5.380 -10.041 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.135 -5.424 -11.491 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.409 -4.836 -12.076 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.162 -3.577 -11.614 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.788 -0.129 -12.262 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.199 -1.075 -12.118 1.00 0.00 H new ATOM 706 N ASN A 47 1.519 -4.748 -8.254 1.00 0.00 N ATOM 707 CA ASN A 47 2.456 -5.315 -7.299 1.00 0.00 C ATOM 708 C ASN A 47 1.795 -5.384 -5.921 1.00 0.00 C ATOM 709 O ASN A 47 1.864 -6.410 -5.246 1.00 0.00 O ATOM 710 CB ASN A 47 3.711 -4.448 -7.178 1.00 0.00 C ATOM 711 CG ASN A 47 4.691 -4.741 -8.316 1.00 0.00 C ATOM 712 OD1 ASN A 47 4.368 -5.390 -9.297 1.00 0.00 O ATOM 713 ND2 ASN A 47 5.904 -4.227 -8.131 1.00 0.00 N ATOM 0 H ASN A 47 1.530 -3.730 -8.309 1.00 0.00 H new ATOM 0 HA ASN A 47 2.736 -6.308 -7.650 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.433 -3.394 -7.195 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.195 -4.634 -6.219 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.630 -4.367 -8.834 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.108 -3.693 -7.286 1.00 0.00 H new ATOM 720 N GLN A 48 1.170 -4.278 -5.544 1.00 0.00 N ATOM 721 CA GLN A 48 0.497 -4.200 -4.259 1.00 0.00 C ATOM 722 C GLN A 48 -0.450 -5.389 -4.082 1.00 0.00 C ATOM 723 O GLN A 48 -1.174 -5.753 -5.008 1.00 0.00 O ATOM 724 CB GLN A 48 -0.254 -2.875 -4.112 1.00 0.00 C ATOM 725 CG GLN A 48 0.714 -1.690 -4.142 1.00 0.00 C ATOM 726 CD GLN A 48 0.106 -0.468 -3.452 1.00 0.00 C ATOM 727 OE1 GLN A 48 0.732 0.196 -2.642 1.00 0.00 O ATOM 728 NE2 GLN A 48 -1.146 -0.208 -3.817 1.00 0.00 N ATOM 0 H GLN A 48 1.116 -3.429 -6.106 1.00 0.00 H new ATOM 0 HA GLN A 48 1.252 -4.241 -3.473 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.983 -2.775 -4.917 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.811 -2.871 -3.175 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.646 -1.965 -3.648 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.961 -1.444 -5.175 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.612 -0.804 -4.501 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.640 0.588 -3.413 1.00 0.00 H new ATOM 737 N THR A 49 -0.415 -5.961 -2.888 1.00 0.00 N ATOM 738 CA THR A 49 -1.261 -7.101 -2.579 1.00 0.00 C ATOM 739 C THR A 49 -1.912 -6.925 -1.205 1.00 0.00 C ATOM 740 O THR A 49 -1.254 -7.085 -0.178 1.00 0.00 O ATOM 741 CB THR A 49 -0.408 -8.367 -2.689 1.00 0.00 C ATOM 742 OG1 THR A 49 0.243 -8.238 -3.951 1.00 0.00 O ATOM 743 CG2 THR A 49 -1.255 -9.632 -2.835 1.00 0.00 C ATOM 0 H THR A 49 0.186 -5.656 -2.122 1.00 0.00 H new ATOM 0 HA THR A 49 -2.086 -7.185 -3.287 1.00 0.00 H new ATOM 0 HB THR A 49 0.227 -8.455 -1.807 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.055 -7.699 -3.847 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.601 -10.501 -2.909 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.903 -9.738 -1.965 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.865 -9.559 -3.735 1.00 0.00 H new ATOM 751 N LEU A 50 -3.195 -6.598 -1.232 1.00 0.00 N ATOM 752 CA LEU A 50 -3.942 -6.398 -0.002 1.00 0.00 C ATOM 753 C LEU A 50 -4.498 -7.742 0.476 1.00 0.00 C ATOM 754 O LEU A 50 -5.068 -8.496 -0.311 1.00 0.00 O ATOM 755 CB LEU A 50 -5.013 -5.323 -0.193 1.00 0.00 C ATOM 756 CG LEU A 50 -4.540 -3.874 -0.060 1.00 0.00 C ATOM 757 CD1 LEU A 50 -3.601 -3.711 1.137 1.00 0.00 C ATOM 758 CD2 LEU A 50 -3.899 -3.385 -1.361 1.00 0.00 C ATOM 0 H LEU A 50 -3.737 -6.466 -2.086 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.286 -6.025 0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.456 -5.451 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.805 -5.494 0.536 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.411 -3.246 0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.280 -2.672 1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.124 -3.993 2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.729 -4.352 1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.572 -2.352 -1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.041 -4.012 -1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.628 -3.442 -2.169 1.00 0.00 H new ATOM 770 N SER A 51 -4.313 -7.999 1.762 1.00 0.00 N ATOM 771 CA SER A 51 -4.789 -9.238 2.354 1.00 0.00 C ATOM 772 C SER A 51 -4.825 -9.110 3.878 1.00 0.00 C ATOM 773 O SER A 51 -3.936 -8.506 4.475 1.00 0.00 O ATOM 774 CB SER A 51 -3.908 -10.419 1.941 1.00 0.00 C ATOM 775 OG SER A 51 -4.563 -11.669 2.141 1.00 0.00 O ATOM 0 H SER A 51 -3.840 -7.370 2.411 1.00 0.00 H new ATOM 0 HA SER A 51 -5.798 -9.427 1.988 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.634 -10.317 0.891 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.982 -10.399 2.516 1.00 0.00 H new ATOM 0 HG SER A 51 -3.963 -12.398 1.879 1.00 0.00 H new ATOM 781 N THR A 52 -5.864 -9.688 4.463 1.00 0.00 N ATOM 782 CA THR A 52 -6.028 -9.646 5.906 1.00 0.00 C ATOM 783 C THR A 52 -5.372 -10.867 6.554 1.00 0.00 C ATOM 784 O THR A 52 -5.866 -11.385 7.554 1.00 0.00 O ATOM 785 CB THR A 52 -7.524 -9.528 6.209 1.00 0.00 C ATOM 786 OG1 THR A 52 -8.021 -10.850 6.021 1.00 0.00 O ATOM 787 CG2 THR A 52 -8.269 -8.697 5.162 1.00 0.00 C ATOM 0 H THR A 52 -6.600 -10.188 3.964 1.00 0.00 H new ATOM 0 HA THR A 52 -5.525 -8.780 6.335 1.00 0.00 H new ATOM 0 HB THR A 52 -7.661 -9.080 7.193 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.985 -10.866 6.199 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.326 -8.644 5.424 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.852 -7.690 5.132 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.161 -9.163 4.183 1.00 0.00 H new ATOM 795 N ASN A 53 -4.268 -11.291 5.957 1.00 0.00 N ATOM 796 CA ASN A 53 -3.538 -12.441 6.462 1.00 0.00 C ATOM 797 C ASN A 53 -2.037 -12.156 6.399 1.00 0.00 C ATOM 798 O ASN A 53 -1.569 -11.473 5.488 1.00 0.00 O ATOM 799 CB ASN A 53 -3.819 -13.686 5.618 1.00 0.00 C ATOM 800 CG ASN A 53 -3.815 -14.948 6.484 1.00 0.00 C ATOM 801 OD1 ASN A 53 -3.162 -15.025 7.511 1.00 0.00 O ATOM 802 ND2 ASN A 53 -4.580 -15.929 6.013 1.00 0.00 N ATOM 0 H ASN A 53 -3.861 -10.858 5.128 1.00 0.00 H new ATOM 0 HA ASN A 53 -3.860 -12.620 7.488 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.785 -13.584 5.123 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.067 -13.776 4.834 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -4.646 -16.812 6.519 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.101 -15.798 5.146 1.00 0.00 H new ATOM 809 N ARG A 54 -1.323 -12.693 7.377 1.00 0.00 N ATOM 810 CA ARG A 54 0.117 -12.504 7.444 1.00 0.00 C ATOM 811 C ARG A 54 0.818 -13.403 6.423 1.00 0.00 C ATOM 812 O ARG A 54 1.919 -13.094 5.972 1.00 0.00 O ATOM 813 CB ARG A 54 0.649 -12.820 8.843 1.00 0.00 C ATOM 814 CG ARG A 54 0.786 -14.330 9.049 1.00 0.00 C ATOM 815 CD ARG A 54 0.521 -14.711 10.507 1.00 0.00 C ATOM 816 NE ARG A 54 1.708 -14.402 11.335 1.00 0.00 N ATOM 817 CZ ARG A 54 1.849 -14.774 12.614 1.00 0.00 C ATOM 818 NH1 ARG A 54 0.878 -15.470 13.220 1.00 0.00 N ATOM 819 NH2 ARG A 54 2.961 -14.449 13.288 1.00 0.00 N ATOM 0 H ARG A 54 -1.714 -13.259 8.130 1.00 0.00 H new ATOM 0 HA ARG A 54 0.326 -11.459 7.216 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.618 -12.341 8.985 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.024 -12.406 9.594 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.085 -14.854 8.399 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.788 -14.650 8.762 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.346 -14.167 10.882 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.285 -15.773 10.577 1.00 0.00 H new ATOM 0 HE ARG A 54 2.466 -13.873 10.905 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.031 -15.717 12.707 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.985 -15.753 14.194 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.700 -13.918 12.827 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.068 -14.732 14.262 1.00 0.00 H new ATOM 833 N ASN A 55 0.150 -14.497 6.089 1.00 0.00 N ATOM 834 CA ASN A 55 0.695 -15.443 5.130 1.00 0.00 C ATOM 835 C ASN A 55 1.125 -14.693 3.868 1.00 0.00 C ATOM 836 O ASN A 55 1.968 -15.174 3.113 1.00 0.00 O ATOM 837 CB ASN A 55 -0.352 -16.484 4.727 1.00 0.00 C ATOM 838 CG ASN A 55 -0.675 -17.417 5.896 1.00 0.00 C ATOM 839 OD1 ASN A 55 0.132 -17.650 6.781 1.00 0.00 O ATOM 840 ND2 ASN A 55 -1.899 -17.936 5.851 1.00 0.00 N ATOM 0 H ASN A 55 -0.764 -14.750 6.465 1.00 0.00 H new ATOM 0 HA ASN A 55 1.542 -15.945 5.597 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.261 -15.982 4.396 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.016 -17.067 3.883 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.211 -18.570 6.586 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.525 -17.699 5.081 1.00 0.00 H new ATOM 847 N LEU A 56 0.526 -13.526 3.679 1.00 0.00 N ATOM 848 CA LEU A 56 0.836 -12.705 2.521 1.00 0.00 C ATOM 849 C LEU A 56 2.347 -12.468 2.460 1.00 0.00 C ATOM 850 O LEU A 56 2.937 -12.482 1.381 1.00 0.00 O ATOM 851 CB LEU A 56 0.012 -11.416 2.542 1.00 0.00 C ATOM 852 CG LEU A 56 -0.605 -10.992 1.208 1.00 0.00 C ATOM 853 CD1 LEU A 56 -0.795 -9.475 1.149 1.00 0.00 C ATOM 854 CD2 LEU A 56 0.224 -11.512 0.031 1.00 0.00 C ATOM 0 H LEU A 56 -0.172 -13.130 4.308 1.00 0.00 H new ATOM 0 HA LEU A 56 0.556 -13.220 1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.791 -11.533 3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.649 -10.607 2.898 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.594 -11.443 1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.235 -9.200 0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.457 -9.160 1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.171 -8.983 1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.236 -11.197 -0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.235 -11.109 0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.264 -12.601 0.067 1.00 0.00 H new ATOM 866 N LEU A 57 2.928 -12.255 3.631 1.00 0.00 N ATOM 867 CA LEU A 57 4.358 -12.015 3.724 1.00 0.00 C ATOM 868 C LEU A 57 5.109 -13.311 3.412 1.00 0.00 C ATOM 869 O LEU A 57 6.278 -13.278 3.029 1.00 0.00 O ATOM 870 CB LEU A 57 4.713 -11.411 5.085 1.00 0.00 C ATOM 871 CG LEU A 57 3.771 -10.322 5.601 1.00 0.00 C ATOM 872 CD1 LEU A 57 4.193 -9.847 6.993 1.00 0.00 C ATOM 873 CD2 LEU A 57 3.674 -9.164 4.605 1.00 0.00 C ATOM 0 H LEU A 57 2.435 -12.244 4.524 1.00 0.00 H new ATOM 0 HA LEU A 57 4.670 -11.279 2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.744 -12.215 5.820 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.719 -10.995 5.025 1.00 0.00 H new ATOM 0 HG LEU A 57 2.773 -10.750 5.695 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.507 -9.073 7.337 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.169 -10.687 7.687 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.204 -9.442 6.948 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.998 -8.403 4.996 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.662 -8.729 4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.292 -9.534 3.653 1.00 0.00 H new ATOM 885 N LEU A 58 4.408 -14.421 3.587 1.00 0.00 N ATOM 886 CA LEU A 58 4.994 -15.725 3.329 1.00 0.00 C ATOM 887 C LEU A 58 5.005 -15.985 1.821 1.00 0.00 C ATOM 888 O LEU A 58 5.929 -16.607 1.301 1.00 0.00 O ATOM 889 CB LEU A 58 4.271 -16.807 4.134 1.00 0.00 C ATOM 890 CG LEU A 58 3.386 -17.762 3.331 1.00 0.00 C ATOM 891 CD1 LEU A 58 4.233 -18.686 2.454 1.00 0.00 C ATOM 892 CD2 LEU A 58 2.449 -18.546 4.252 1.00 0.00 C ATOM 0 H LEU A 58 3.439 -14.444 3.905 1.00 0.00 H new ATOM 0 HA LEU A 58 6.031 -15.750 3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.018 -17.396 4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.654 -16.319 4.888 1.00 0.00 H new ATOM 0 HG LEU A 58 2.760 -17.169 2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.580 -19.355 1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.823 -18.088 1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.901 -19.274 3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.831 -19.217 3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.038 -19.128 4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.809 -17.852 4.797 1.00 0.00 H new ATOM 904 N ALA A 59 3.965 -15.496 1.161 1.00 0.00 N ATOM 905 CA ALA A 59 3.843 -15.667 -0.276 1.00 0.00 C ATOM 906 C ALA A 59 5.062 -15.050 -0.965 1.00 0.00 C ATOM 907 O ALA A 59 5.275 -13.841 -0.891 1.00 0.00 O ATOM 908 CB ALA A 59 2.528 -15.048 -0.754 1.00 0.00 C ATOM 0 H ALA A 59 3.199 -14.981 1.596 1.00 0.00 H new ATOM 0 HA ALA A 59 3.819 -16.725 -0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.436 -15.176 -1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.692 -15.541 -0.258 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.517 -13.985 -0.513 1.00 0.00 H new ATOM 914 N LYS A 60 5.830 -15.909 -1.618 1.00 0.00 N ATOM 915 CA LYS A 60 7.022 -15.463 -2.319 1.00 0.00 C ATOM 916 C LYS A 60 6.802 -15.598 -3.828 1.00 0.00 C ATOM 917 O LYS A 60 7.420 -14.882 -4.615 1.00 0.00 O ATOM 918 CB LYS A 60 8.255 -16.211 -1.809 1.00 0.00 C ATOM 919 CG LYS A 60 8.726 -15.642 -0.469 1.00 0.00 C ATOM 920 CD LYS A 60 9.811 -14.583 -0.674 1.00 0.00 C ATOM 921 CE LYS A 60 11.186 -15.232 -0.846 1.00 0.00 C ATOM 922 NZ LYS A 60 12.259 -14.264 -0.528 1.00 0.00 N ATOM 0 H LYS A 60 5.650 -16.911 -1.677 1.00 0.00 H new ATOM 0 HA LYS A 60 7.210 -14.409 -2.116 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.022 -17.270 -1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.058 -16.137 -2.542 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.881 -15.204 0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.112 -16.447 0.156 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.576 -13.982 -1.553 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.829 -13.906 0.180 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.268 -16.102 -0.195 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.301 -15.588 -1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.186 -14.720 -0.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.189 -13.446 -1.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.157 -13.944 0.456 1.00 0.00 H new ATOM 936 N SER A 61 5.920 -16.520 -4.185 1.00 0.00 N ATOM 937 CA SER A 61 5.611 -16.757 -5.584 1.00 0.00 C ATOM 938 C SER A 61 4.431 -15.883 -6.015 1.00 0.00 C ATOM 939 O SER A 61 3.687 -15.380 -5.174 1.00 0.00 O ATOM 940 CB SER A 61 5.298 -18.233 -5.837 1.00 0.00 C ATOM 941 OG SER A 61 3.896 -18.480 -5.891 1.00 0.00 O ATOM 0 H SER A 61 5.410 -17.112 -3.529 1.00 0.00 H new ATOM 0 HA SER A 61 6.487 -16.492 -6.177 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.757 -18.545 -6.775 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.743 -18.838 -5.047 1.00 0.00 H new ATOM 0 HG SER A 61 3.738 -19.433 -6.056 1.00 0.00 H new ATOM 947 N PRO A 62 4.292 -15.726 -7.359 1.00 0.00 N ATOM 948 CA PRO A 62 3.216 -14.922 -7.911 1.00 0.00 C ATOM 949 C PRO A 62 1.879 -15.662 -7.825 1.00 0.00 C ATOM 950 O PRO A 62 0.820 -15.037 -7.797 1.00 0.00 O ATOM 951 CB PRO A 62 3.639 -14.625 -9.340 1.00 0.00 C ATOM 952 CG PRO A 62 4.705 -15.654 -9.681 1.00 0.00 C ATOM 953 CD PRO A 62 5.154 -16.307 -8.384 1.00 0.00 C ATOM 0 HA PRO A 62 3.056 -13.997 -7.357 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.792 -14.700 -10.022 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.031 -13.612 -9.429 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.308 -16.402 -10.367 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.549 -15.178 -10.181 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.043 -17.390 -8.427 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.205 -16.102 -8.180 1.00 0.00 H new ATOM 961 N SER A 63 1.972 -16.983 -7.786 1.00 0.00 N ATOM 962 CA SER A 63 0.784 -17.815 -7.704 1.00 0.00 C ATOM 963 C SER A 63 0.278 -17.864 -6.261 1.00 0.00 C ATOM 964 O SER A 63 -0.923 -17.983 -6.024 1.00 0.00 O ATOM 965 CB SER A 63 1.064 -19.229 -8.216 1.00 0.00 C ATOM 966 OG SER A 63 0.005 -19.722 -9.032 1.00 0.00 O ATOM 0 H SER A 63 2.852 -17.498 -7.810 1.00 0.00 H new ATOM 0 HA SER A 63 0.014 -17.374 -8.338 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.992 -19.230 -8.787 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.210 -19.899 -7.369 1.00 0.00 H new ATOM 0 HG SER A 63 0.223 -20.626 -9.340 1.00 0.00 H new ATOM 972 N ASP A 64 1.220 -17.769 -5.334 1.00 0.00 N ATOM 973 CA ASP A 64 0.885 -17.801 -3.920 1.00 0.00 C ATOM 974 C ASP A 64 -0.014 -16.609 -3.587 1.00 0.00 C ATOM 975 O ASP A 64 -1.035 -16.764 -2.918 1.00 0.00 O ATOM 976 CB ASP A 64 2.142 -17.702 -3.054 1.00 0.00 C ATOM 977 CG ASP A 64 1.982 -18.217 -1.622 1.00 0.00 C ATOM 978 OD1 ASP A 64 0.854 -18.096 -1.098 1.00 0.00 O ATOM 979 OD2 ASP A 64 2.992 -18.721 -1.084 1.00 0.00 O ATOM 0 H ASP A 64 2.215 -17.670 -5.534 1.00 0.00 H new ATOM 0 HA ASP A 64 0.379 -18.744 -3.714 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.943 -18.261 -3.538 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.458 -16.659 -3.016 1.00 0.00 H new ATOM 984 N PHE A 65 0.397 -15.445 -4.068 1.00 0.00 N ATOM 985 CA PHE A 65 -0.358 -14.227 -3.830 1.00 0.00 C ATOM 986 C PHE A 65 -1.796 -14.366 -4.333 1.00 0.00 C ATOM 987 O PHE A 65 -2.699 -13.692 -3.838 1.00 0.00 O ATOM 988 CB PHE A 65 0.337 -13.109 -4.610 1.00 0.00 C ATOM 989 CG PHE A 65 1.628 -12.608 -3.962 1.00 0.00 C ATOM 990 CD1 PHE A 65 1.683 -12.415 -2.617 1.00 0.00 C ATOM 991 CD2 PHE A 65 2.721 -12.354 -4.730 1.00 0.00 C ATOM 992 CE1 PHE A 65 2.882 -11.949 -2.015 1.00 0.00 C ATOM 993 CE2 PHE A 65 3.920 -11.889 -4.128 1.00 0.00 C ATOM 994 CZ PHE A 65 3.975 -11.696 -2.783 1.00 0.00 C ATOM 0 H PHE A 65 1.244 -15.320 -4.622 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.394 -14.015 -2.761 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.562 -13.467 -5.615 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.353 -12.272 -4.717 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.815 -12.616 -2.007 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.677 -12.506 -5.798 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.926 -11.796 -0.947 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.788 -11.689 -4.738 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.887 -11.342 -2.325 1.00 0.00 H new ATOM 1004 N LEU A 66 -1.965 -15.245 -5.310 1.00 0.00 N ATOM 1005 CA LEU A 66 -3.278 -15.481 -5.885 1.00 0.00 C ATOM 1006 C LEU A 66 -4.161 -16.192 -4.857 1.00 0.00 C ATOM 1007 O LEU A 66 -5.366 -16.334 -5.060 1.00 0.00 O ATOM 1008 CB LEU A 66 -3.154 -16.232 -7.213 1.00 0.00 C ATOM 1009 CG LEU A 66 -2.308 -15.553 -8.291 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -1.996 -16.521 -9.434 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -2.980 -14.273 -8.791 1.00 0.00 C ATOM 0 H LEU A 66 -1.214 -15.802 -5.718 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.765 -14.535 -6.124 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.730 -17.216 -7.013 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.156 -16.392 -7.612 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.356 -15.263 -7.846 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.393 -16.013 -10.187 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.445 -17.377 -9.045 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.927 -16.863 -9.885 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.357 -13.810 -9.557 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.955 -14.515 -9.214 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.107 -13.580 -7.959 1.00 0.00 H new ATOM 1023 N ALA A 67 -3.526 -16.620 -3.775 1.00 0.00 N ATOM 1024 CA ALA A 67 -4.239 -17.312 -2.715 1.00 0.00 C ATOM 1025 C ALA A 67 -5.092 -16.307 -1.939 1.00 0.00 C ATOM 1026 O ALA A 67 -6.161 -16.651 -1.437 1.00 0.00 O ATOM 1027 CB ALA A 67 -3.237 -18.041 -1.818 1.00 0.00 C ATOM 0 H ALA A 67 -2.526 -16.501 -3.610 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.911 -18.063 -3.131 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.771 -18.560 -1.023 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.677 -18.764 -2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.548 -17.319 -1.381 1.00 0.00 H new ATOM 1033 N PHE A 68 -4.587 -15.084 -1.864 1.00 0.00 N ATOM 1034 CA PHE A 68 -5.290 -14.026 -1.158 1.00 0.00 C ATOM 1035 C PHE A 68 -6.168 -13.217 -2.114 1.00 0.00 C ATOM 1036 O PHE A 68 -5.691 -12.292 -2.770 1.00 0.00 O ATOM 1037 CB PHE A 68 -4.225 -13.104 -0.559 1.00 0.00 C ATOM 1038 CG PHE A 68 -3.185 -13.829 0.298 1.00 0.00 C ATOM 1039 CD1 PHE A 68 -3.482 -14.176 1.579 1.00 0.00 C ATOM 1040 CD2 PHE A 68 -1.964 -14.126 -0.221 1.00 0.00 C ATOM 1041 CE1 PHE A 68 -2.517 -14.849 2.374 1.00 0.00 C ATOM 1042 CE2 PHE A 68 -0.999 -14.798 0.574 1.00 0.00 C ATOM 1043 CZ PHE A 68 -1.296 -15.145 1.855 1.00 0.00 C ATOM 0 H PHE A 68 -3.700 -14.802 -2.280 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.935 -14.456 -0.391 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.714 -12.582 -1.368 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.717 -12.345 0.049 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.452 -13.940 1.992 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.728 -13.851 -1.238 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.753 -15.126 3.391 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.029 -15.034 0.162 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.562 -15.656 2.460 1.00 0.00 H new ATOM 1053 N THR A 69 -7.437 -13.595 -2.164 1.00 0.00 N ATOM 1054 CA THR A 69 -8.387 -12.917 -3.030 1.00 0.00 C ATOM 1055 C THR A 69 -9.512 -12.294 -2.201 1.00 0.00 C ATOM 1056 O THR A 69 -10.687 -12.434 -2.539 1.00 0.00 O ATOM 1057 CB THR A 69 -8.883 -13.924 -4.069 1.00 0.00 C ATOM 1058 OG1 THR A 69 -9.371 -15.013 -3.291 1.00 0.00 O ATOM 1059 CG2 THR A 69 -7.741 -14.532 -4.886 1.00 0.00 C ATOM 0 H THR A 69 -7.830 -14.362 -1.619 1.00 0.00 H new ATOM 0 HA THR A 69 -7.918 -12.088 -3.560 1.00 0.00 H new ATOM 0 HB THR A 69 -9.590 -13.435 -4.740 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.714 -15.712 -3.886 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.147 -15.240 -5.609 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.209 -13.740 -5.413 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.052 -15.050 -4.219 1.00 0.00 H new ATOM 1067 N ASP A 70 -9.114 -11.620 -1.133 1.00 0.00 N ATOM 1068 CA ASP A 70 -10.075 -10.975 -0.254 1.00 0.00 C ATOM 1069 C ASP A 70 -10.299 -9.535 -0.718 1.00 0.00 C ATOM 1070 O ASP A 70 -11.438 -9.083 -0.826 1.00 0.00 O ATOM 1071 CB ASP A 70 -9.562 -10.933 1.187 1.00 0.00 C ATOM 1072 CG ASP A 70 -8.762 -12.162 1.625 1.00 0.00 C ATOM 1073 OD1 ASP A 70 -9.352 -13.263 1.593 1.00 0.00 O ATOM 1074 OD2 ASP A 70 -7.580 -11.972 1.982 1.00 0.00 O ATOM 0 H ASP A 70 -8.139 -11.506 -0.856 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.002 -11.548 -0.291 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.936 -10.049 1.308 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.414 -10.815 1.857 1.00 0.00 H new ATOM 1079 N MET A 71 -9.193 -8.853 -0.981 1.00 0.00 N ATOM 1080 CA MET A 71 -9.254 -7.473 -1.432 1.00 0.00 C ATOM 1081 C MET A 71 -8.724 -7.339 -2.861 1.00 0.00 C ATOM 1082 O MET A 71 -7.944 -6.435 -3.155 1.00 0.00 O ATOM 1083 CB MET A 71 -8.425 -6.593 -0.495 1.00 0.00 C ATOM 1084 CG MET A 71 -9.030 -6.566 0.911 1.00 0.00 C ATOM 1085 SD MET A 71 -7.873 -5.839 2.059 1.00 0.00 S ATOM 1086 CE MET A 71 -7.694 -4.218 1.333 1.00 0.00 C ATOM 0 H MET A 71 -8.250 -9.231 -0.890 1.00 0.00 H new ATOM 0 HA MET A 71 -10.296 -7.152 -1.420 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.403 -6.968 -0.448 1.00 0.00 H new ATOM 0 HB3 MET A 71 -8.374 -5.579 -0.892 1.00 0.00 H new ATOM 0 HG2 MET A 71 -9.958 -5.994 0.906 1.00 0.00 H new ATOM 0 HG3 MET A 71 -9.281 -7.578 1.227 1.00 0.00 H new ATOM 0 HE1 MET A 71 -6.959 -3.645 1.899 1.00 0.00 H new ATOM 0 HE2 MET A 71 -7.360 -4.317 0.300 1.00 0.00 H new ATOM 0 HE3 MET A 71 -8.653 -3.701 1.356 1.00 0.00 H new ATOM 1096 N ALA A 72 -9.169 -8.253 -3.711 1.00 0.00 N ATOM 1097 CA ALA A 72 -8.749 -8.248 -5.102 1.00 0.00 C ATOM 1098 C ALA A 72 -9.740 -7.423 -5.927 1.00 0.00 C ATOM 1099 O ALA A 72 -9.340 -6.673 -6.816 1.00 0.00 O ATOM 1100 CB ALA A 72 -8.629 -9.688 -5.604 1.00 0.00 C ATOM 0 H ALA A 72 -9.816 -9.002 -3.463 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.768 -7.784 -5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.314 -9.684 -6.647 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.892 -10.222 -5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.595 -10.185 -5.518 1.00 0.00 H new ATOM 1106 N ASP A 73 -11.013 -7.590 -5.602 1.00 0.00 N ATOM 1107 CA ASP A 73 -12.064 -6.870 -6.301 1.00 0.00 C ATOM 1108 C ASP A 73 -11.927 -5.373 -6.018 1.00 0.00 C ATOM 1109 O ASP A 73 -11.989 -4.948 -4.865 1.00 0.00 O ATOM 1110 CB ASP A 73 -13.448 -7.316 -5.825 1.00 0.00 C ATOM 1111 CG ASP A 73 -14.623 -6.596 -6.489 1.00 0.00 C ATOM 1112 OD1 ASP A 73 -14.361 -5.863 -7.467 1.00 0.00 O ATOM 1113 OD2 ASP A 73 -15.758 -6.795 -6.003 1.00 0.00 O ATOM 0 H ASP A 73 -11.341 -8.213 -4.864 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.964 -7.079 -7.366 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.550 -8.386 -6.004 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.511 -7.165 -4.747 1.00 0.00 H new ATOM 1118 N PRO A 74 -11.738 -4.595 -7.117 1.00 0.00 N ATOM 1119 CA PRO A 74 -11.591 -3.154 -6.998 1.00 0.00 C ATOM 1120 C PRO A 74 -12.939 -2.488 -6.715 1.00 0.00 C ATOM 1121 O PRO A 74 -12.987 -1.366 -6.212 1.00 0.00 O ATOM 1122 CB PRO A 74 -10.974 -2.712 -8.315 1.00 0.00 C ATOM 1123 CG PRO A 74 -11.226 -3.845 -9.295 1.00 0.00 C ATOM 1124 CD PRO A 74 -11.659 -5.064 -8.497 1.00 0.00 C ATOM 0 HA PRO A 74 -10.958 -2.863 -6.160 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.426 -1.784 -8.666 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.906 -2.524 -8.202 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.997 -3.565 -10.012 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.324 -4.063 -9.866 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.621 -5.442 -8.842 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.942 -5.879 -8.598 1.00 0.00 H new ATOM 1132 N ASN A 75 -14.000 -3.206 -7.051 1.00 0.00 N ATOM 1133 CA ASN A 75 -15.345 -2.698 -6.840 1.00 0.00 C ATOM 1134 C ASN A 75 -15.835 -3.124 -5.454 1.00 0.00 C ATOM 1135 O ASN A 75 -16.993 -2.901 -5.105 1.00 0.00 O ATOM 1136 CB ASN A 75 -16.317 -3.262 -7.878 1.00 0.00 C ATOM 1137 CG ASN A 75 -16.228 -2.482 -9.192 1.00 0.00 C ATOM 1138 OD1 ASN A 75 -16.235 -1.262 -9.221 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -16.146 -3.251 -10.273 1.00 0.00 N ATOM 0 H ASN A 75 -13.956 -4.136 -7.468 1.00 0.00 H new ATOM 0 HA ASN A 75 -15.312 -1.612 -6.929 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -16.092 -4.313 -8.059 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -17.335 -3.216 -7.491 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -16.084 -2.826 -11.198 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -16.145 -4.267 -10.178 1.00 0.00 H new ATOM 1146 N LEU A 76 -14.928 -3.729 -4.701 1.00 0.00 N ATOM 1147 CA LEU A 76 -15.253 -4.189 -3.362 1.00 0.00 C ATOM 1148 C LEU A 76 -14.944 -3.077 -2.357 1.00 0.00 C ATOM 1149 O LEU A 76 -13.923 -2.400 -2.469 1.00 0.00 O ATOM 1150 CB LEU A 76 -14.537 -5.507 -3.059 1.00 0.00 C ATOM 1151 CG LEU A 76 -14.597 -5.984 -1.607 1.00 0.00 C ATOM 1152 CD1 LEU A 76 -15.346 -7.314 -1.497 1.00 0.00 C ATOM 1153 CD2 LEU A 76 -13.196 -6.064 -0.998 1.00 0.00 C ATOM 0 H LEU A 76 -13.968 -3.911 -4.993 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.318 -4.406 -3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -14.964 -6.284 -3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.490 -5.403 -3.343 1.00 0.00 H new ATOM 0 HG LEU A 76 -15.158 -5.249 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -15.374 -7.631 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -16.364 -7.190 -1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -14.834 -8.070 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -13.267 -6.406 0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -12.590 -6.765 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.732 -5.078 -1.023 1.00 0.00 H new ATOM 1165 N ARG A 77 -15.845 -2.922 -1.399 1.00 0.00 N ATOM 1166 CA ARG A 77 -15.682 -1.904 -0.375 1.00 0.00 C ATOM 1167 C ARG A 77 -15.003 -2.498 0.861 1.00 0.00 C ATOM 1168 O ARG A 77 -15.271 -3.639 1.233 1.00 0.00 O ATOM 1169 CB ARG A 77 -17.032 -1.309 0.030 1.00 0.00 C ATOM 1170 CG ARG A 77 -17.691 -0.591 -1.150 1.00 0.00 C ATOM 1171 CD ARG A 77 -19.100 -1.132 -1.403 1.00 0.00 C ATOM 1172 NE ARG A 77 -20.107 -0.113 -1.032 1.00 0.00 N ATOM 1173 CZ ARG A 77 -21.412 -0.207 -1.322 1.00 0.00 C ATOM 1174 NH1 ARG A 77 -21.876 -1.273 -1.988 1.00 0.00 N ATOM 1175 NH2 ARG A 77 -22.253 0.766 -0.946 1.00 0.00 N ATOM 0 H ARG A 77 -16.691 -3.485 -1.310 1.00 0.00 H new ATOM 0 HA ARG A 77 -15.059 -1.112 -0.791 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.689 -2.100 0.391 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -16.893 -0.609 0.854 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -17.739 0.479 -0.948 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -17.082 -0.720 -2.045 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -19.212 -1.401 -2.453 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -19.259 -2.041 -0.823 1.00 0.00 H new ATOM 0 HE ARG A 77 -19.788 0.712 -0.524 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -21.236 -2.014 -2.275 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -22.869 -1.344 -2.208 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -21.900 1.578 -0.439 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -23.246 0.695 -1.167 1.00 0.00 H new ATOM 1189 N ILE A 78 -14.137 -1.697 1.463 1.00 0.00 N ATOM 1190 CA ILE A 78 -13.418 -2.129 2.650 1.00 0.00 C ATOM 1191 C ILE A 78 -14.422 -2.530 3.732 1.00 0.00 C ATOM 1192 O ILE A 78 -14.106 -3.332 4.610 1.00 0.00 O ATOM 1193 CB ILE A 78 -12.428 -1.051 3.098 1.00 0.00 C ATOM 1194 CG1 ILE A 78 -13.161 0.218 3.538 1.00 0.00 C ATOM 1195 CG2 ILE A 78 -11.394 -0.767 2.007 1.00 0.00 C ATOM 1196 CD1 ILE A 78 -12.297 1.049 4.488 1.00 0.00 C ATOM 0 H ILE A 78 -13.917 -0.751 1.151 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.816 -3.011 2.431 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.885 -1.426 3.965 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -13.422 0.813 2.663 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.095 -0.050 4.031 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.703 0.003 2.352 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.840 -1.679 1.785 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.901 -0.422 1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -12.842 1.945 4.785 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.058 0.459 5.373 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -11.374 1.336 3.984 1.00 0.00 H new ATOM 1208 N SER A 79 -15.611 -1.955 3.634 1.00 0.00 N ATOM 1209 CA SER A 79 -16.663 -2.243 4.593 1.00 0.00 C ATOM 1210 C SER A 79 -16.946 -3.746 4.624 1.00 0.00 C ATOM 1211 O SER A 79 -17.324 -4.289 5.662 1.00 0.00 O ATOM 1212 CB SER A 79 -17.940 -1.469 4.259 1.00 0.00 C ATOM 1213 OG SER A 79 -18.774 -1.295 5.401 1.00 0.00 O ATOM 0 H SER A 79 -15.869 -1.291 2.905 1.00 0.00 H new ATOM 0 HA SER A 79 -16.324 -1.923 5.578 1.00 0.00 H new ATOM 0 HB2 SER A 79 -17.676 -0.493 3.851 1.00 0.00 H new ATOM 0 HB3 SER A 79 -18.493 -2.000 3.484 1.00 0.00 H new ATOM 0 HG SER A 79 -19.578 -0.795 5.146 1.00 0.00 H new ATOM 1219 N SER A 80 -16.752 -4.376 3.475 1.00 0.00 N ATOM 1220 CA SER A 80 -16.981 -5.806 3.358 1.00 0.00 C ATOM 1221 C SER A 80 -16.203 -6.552 4.445 1.00 0.00 C ATOM 1222 O SER A 80 -16.729 -7.473 5.067 1.00 0.00 O ATOM 1223 CB SER A 80 -16.579 -6.317 1.973 1.00 0.00 C ATOM 1224 OG SER A 80 -17.101 -7.617 1.711 1.00 0.00 O ATOM 0 H SER A 80 -16.439 -3.922 2.617 1.00 0.00 H new ATOM 0 HA SER A 80 -18.047 -5.993 3.490 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.937 -5.623 1.213 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.492 -6.341 1.897 1.00 0.00 H new ATOM 0 HG SER A 80 -17.258 -7.719 0.749 1.00 0.00 H new ATOM 1230 N LEU A 81 -14.964 -6.125 4.639 1.00 0.00 N ATOM 1231 CA LEU A 81 -14.109 -6.740 5.640 1.00 0.00 C ATOM 1232 C LEU A 81 -14.291 -6.016 6.975 1.00 0.00 C ATOM 1233 O LEU A 81 -13.891 -6.525 8.021 1.00 0.00 O ATOM 1234 CB LEU A 81 -12.659 -6.780 5.154 1.00 0.00 C ATOM 1235 CG LEU A 81 -12.461 -6.870 3.639 1.00 0.00 C ATOM 1236 CD1 LEU A 81 -10.984 -6.723 3.270 1.00 0.00 C ATOM 1237 CD2 LEU A 81 -13.065 -8.161 3.084 1.00 0.00 C ATOM 0 H LEU A 81 -14.532 -5.361 4.120 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.396 -7.779 5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.151 -5.885 5.514 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -12.165 -7.635 5.616 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.993 -6.040 3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.871 -6.791 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.618 -5.756 3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.409 -7.518 3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.911 -8.201 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.582 -9.019 3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -14.133 -8.185 3.299 1.00 0.00 H new ATOM 1249 N ASN A 82 -14.895 -4.840 6.896 1.00 0.00 N ATOM 1250 CA ASN A 82 -15.135 -4.040 8.086 1.00 0.00 C ATOM 1251 C ASN A 82 -13.794 -3.609 8.684 1.00 0.00 C ATOM 1252 O ASN A 82 -13.370 -4.137 9.710 1.00 0.00 O ATOM 1253 CB ASN A 82 -15.889 -4.844 9.147 1.00 0.00 C ATOM 1254 CG ASN A 82 -17.373 -4.473 9.164 1.00 0.00 C ATOM 1255 OD1 ASN A 82 -17.860 -3.797 10.056 1.00 0.00 O ATOM 1256 ND2 ASN A 82 -18.062 -4.951 8.133 1.00 0.00 N ATOM 0 H ASN A 82 -15.226 -4.421 6.027 1.00 0.00 H new ATOM 0 HA ASN A 82 -15.732 -3.175 7.797 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.779 -5.910 8.947 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.453 -4.657 10.128 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -19.061 -4.759 8.054 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -17.592 -5.510 7.421 1.00 0.00 H new ATOM 1263 N LEU A 83 -13.165 -2.653 8.016 1.00 0.00 N ATOM 1264 CA LEU A 83 -11.881 -2.145 8.468 1.00 0.00 C ATOM 1265 C LEU A 83 -12.067 -0.738 9.039 1.00 0.00 C ATOM 1266 O LEU A 83 -12.496 0.172 8.331 1.00 0.00 O ATOM 1267 CB LEU A 83 -10.848 -2.220 7.342 1.00 0.00 C ATOM 1268 CG LEU A 83 -10.681 -3.586 6.675 1.00 0.00 C ATOM 1269 CD1 LEU A 83 -9.824 -3.479 5.412 1.00 0.00 C ATOM 1270 CD2 LEU A 83 -10.121 -4.613 7.661 1.00 0.00 C ATOM 0 H LEU A 83 -13.521 -2.217 7.165 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.487 -2.767 9.272 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -11.122 -1.495 6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.882 -1.912 7.741 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.666 -3.938 6.367 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.721 -4.464 4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.302 -2.801 4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.838 -3.095 5.673 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.012 -5.575 7.161 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.148 -4.279 8.021 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.804 -4.717 8.504 1.00 0.00 H new ATOM 1282 N ALA A 84 -11.735 -0.603 10.315 1.00 0.00 N ATOM 1283 CA ALA A 84 -11.861 0.678 10.989 1.00 0.00 C ATOM 1284 C ALA A 84 -10.509 1.067 11.591 1.00 0.00 C ATOM 1285 O ALA A 84 -9.611 0.233 11.701 1.00 0.00 O ATOM 1286 CB ALA A 84 -12.966 0.594 12.044 1.00 0.00 C ATOM 0 H ALA A 84 -11.379 -1.359 10.899 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.144 1.458 10.282 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.060 1.555 12.549 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.911 0.343 11.562 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.715 -0.176 12.773 1.00 0.00 H new ATOM 1292 N HIS A 85 -10.406 2.334 11.965 1.00 0.00 N ATOM 1293 CA HIS A 85 -9.179 2.844 12.553 1.00 0.00 C ATOM 1294 C HIS A 85 -8.705 1.894 13.655 1.00 0.00 C ATOM 1295 O HIS A 85 -9.307 1.831 14.726 1.00 0.00 O ATOM 1296 CB HIS A 85 -9.369 4.279 13.048 1.00 0.00 C ATOM 1297 CG HIS A 85 -8.084 5.064 13.164 1.00 0.00 C ATOM 1298 ND1 HIS A 85 -7.987 6.398 12.811 1.00 0.00 N ATOM 1299 CD2 HIS A 85 -6.847 4.689 13.598 1.00 0.00 C ATOM 1300 CE1 HIS A 85 -6.742 6.798 13.025 1.00 0.00 C ATOM 1301 NE2 HIS A 85 -6.037 5.737 13.513 1.00 0.00 N ATOM 0 H HIS A 85 -11.153 3.023 11.872 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.397 2.884 11.795 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -10.042 4.801 12.367 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -9.857 4.255 14.022 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.573 3.706 13.951 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.354 7.790 12.845 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -5.050 5.747 13.770 1.00 0.00 H new ATOM 1309 N GLY A 86 -7.631 1.179 13.355 1.00 0.00 N ATOM 1310 CA GLY A 86 -7.069 0.236 14.307 1.00 0.00 C ATOM 1311 C GLY A 86 -6.899 -1.146 13.673 1.00 0.00 C ATOM 1312 O GLY A 86 -5.938 -1.855 13.969 1.00 0.00 O ATOM 0 H GLY A 86 -7.135 1.234 12.466 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.104 0.600 14.659 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.719 0.163 15.179 1.00 0.00 H new ATOM 1316 N SER A 87 -7.848 -1.489 12.814 1.00 0.00 N ATOM 1317 CA SER A 87 -7.815 -2.774 12.136 1.00 0.00 C ATOM 1318 C SER A 87 -6.403 -3.058 11.621 1.00 0.00 C ATOM 1319 O SER A 87 -5.545 -2.176 11.631 1.00 0.00 O ATOM 1320 CB SER A 87 -8.819 -2.814 10.982 1.00 0.00 C ATOM 1321 OG SER A 87 -8.695 -4.004 10.208 1.00 0.00 O ATOM 0 H SER A 87 -8.644 -0.899 12.572 1.00 0.00 H new ATOM 0 HA SER A 87 -8.095 -3.546 12.853 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.831 -2.744 11.380 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.668 -1.946 10.340 1.00 0.00 H new ATOM 0 HG SER A 87 -9.477 -4.575 10.359 1.00 0.00 H new ATOM 1327 N MET A 88 -6.204 -4.292 11.183 1.00 0.00 N ATOM 1328 CA MET A 88 -4.911 -4.704 10.664 1.00 0.00 C ATOM 1329 C MET A 88 -5.028 -5.185 9.217 1.00 0.00 C ATOM 1330 O MET A 88 -6.049 -5.749 8.827 1.00 0.00 O ATOM 1331 CB MET A 88 -4.347 -5.830 11.533 1.00 0.00 C ATOM 1332 CG MET A 88 -2.991 -6.303 11.005 1.00 0.00 C ATOM 1333 SD MET A 88 -1.719 -5.136 11.458 1.00 0.00 S ATOM 1334 CE MET A 88 -0.425 -5.637 10.334 1.00 0.00 C ATOM 0 H MET A 88 -6.917 -5.021 11.177 1.00 0.00 H new ATOM 0 HA MET A 88 -4.241 -3.845 10.688 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.240 -5.482 12.561 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.046 -6.666 11.550 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.756 -7.286 11.412 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.030 -6.408 9.921 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.452 -5.944 10.903 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.774 -6.472 9.726 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.162 -4.801 9.686 1.00 0.00 H new ATOM 1344 N VAL A 89 -3.968 -4.944 8.459 1.00 0.00 N ATOM 1345 CA VAL A 89 -3.939 -5.346 7.063 1.00 0.00 C ATOM 1346 C VAL A 89 -2.488 -5.560 6.629 1.00 0.00 C ATOM 1347 O VAL A 89 -1.571 -4.971 7.200 1.00 0.00 O ATOM 1348 CB VAL A 89 -4.674 -4.313 6.206 1.00 0.00 C ATOM 1349 CG1 VAL A 89 -4.585 -4.671 4.721 1.00 0.00 C ATOM 1350 CG2 VAL A 89 -6.131 -4.169 6.650 1.00 0.00 C ATOM 0 H VAL A 89 -3.123 -4.475 8.785 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.462 -6.293 6.927 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.185 -3.349 6.348 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.115 -3.921 4.134 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.539 -4.698 4.415 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.037 -5.649 4.555 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.630 -3.429 6.025 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.638 -5.129 6.551 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -6.164 -3.846 7.691 1.00 0.00 H new ATOM 1360 N TYR A 90 -2.324 -6.405 5.621 1.00 0.00 N ATOM 1361 CA TYR A 90 -1.000 -6.704 5.103 1.00 0.00 C ATOM 1362 C TYR A 90 -0.855 -6.224 3.657 1.00 0.00 C ATOM 1363 O TYR A 90 -1.849 -6.051 2.955 1.00 0.00 O ATOM 1364 CB TYR A 90 -0.867 -8.228 5.138 1.00 0.00 C ATOM 1365 CG TYR A 90 -0.717 -8.807 6.546 1.00 0.00 C ATOM 1366 CD1 TYR A 90 0.533 -8.904 7.122 1.00 0.00 C ATOM 1367 CD2 TYR A 90 -1.832 -9.233 7.239 1.00 0.00 C ATOM 1368 CE1 TYR A 90 0.674 -9.450 8.447 1.00 0.00 C ATOM 1369 CE2 TYR A 90 -1.690 -9.779 8.564 1.00 0.00 C ATOM 1370 CZ TYR A 90 -0.444 -9.860 9.103 1.00 0.00 C ATOM 1371 OH TYR A 90 -0.311 -10.375 10.354 1.00 0.00 O ATOM 0 H TYR A 90 -3.086 -6.892 5.150 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.234 -6.204 5.696 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.744 -8.670 4.666 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.003 -8.521 4.542 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.405 -8.571 6.579 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.810 -9.157 6.788 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.647 -9.532 8.909 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -2.554 -10.117 9.117 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.193 -10.625 10.700 1.00 0.00 H new ATOM 1381 N LEU A 91 0.392 -6.023 3.256 1.00 0.00 N ATOM 1382 CA LEU A 91 0.679 -5.567 1.907 1.00 0.00 C ATOM 1383 C LEU A 91 1.911 -6.304 1.376 1.00 0.00 C ATOM 1384 O LEU A 91 2.991 -6.213 1.956 1.00 0.00 O ATOM 1385 CB LEU A 91 0.813 -4.043 1.874 1.00 0.00 C ATOM 1386 CG LEU A 91 1.231 -3.435 0.533 1.00 0.00 C ATOM 1387 CD1 LEU A 91 0.134 -3.618 -0.517 1.00 0.00 C ATOM 1388 CD2 LEU A 91 1.629 -1.967 0.697 1.00 0.00 C ATOM 0 H LEU A 91 1.214 -6.168 3.842 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.149 -5.806 1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.143 -3.608 2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.542 -3.746 2.628 1.00 0.00 H new ATOM 0 HG LEU A 91 2.111 -3.969 0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.456 -3.177 -1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.059 -4.681 -0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.778 -3.126 -0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.922 -1.559 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.783 -1.402 1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.467 -1.892 1.391 1.00 0.00 H new ATOM 1400 N ALA A 92 1.706 -7.017 0.278 1.00 0.00 N ATOM 1401 CA ALA A 92 2.785 -7.769 -0.338 1.00 0.00 C ATOM 1402 C ALA A 92 2.966 -7.302 -1.784 1.00 0.00 C ATOM 1403 O ALA A 92 2.041 -7.394 -2.590 1.00 0.00 O ATOM 1404 CB ALA A 92 2.485 -9.266 -0.242 1.00 0.00 C ATOM 0 H ALA A 92 0.808 -7.089 -0.201 1.00 0.00 H new ATOM 0 HA ALA A 92 3.724 -7.591 0.186 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.295 -9.830 -0.704 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.395 -9.553 0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.550 -9.484 -0.759 1.00 0.00 H new ATOM 1410 N TYR A 93 4.163 -6.813 -2.069 1.00 0.00 N ATOM 1411 CA TYR A 93 4.477 -6.332 -3.404 1.00 0.00 C ATOM 1412 C TYR A 93 5.811 -6.900 -3.892 1.00 0.00 C ATOM 1413 O TYR A 93 6.556 -7.497 -3.117 1.00 0.00 O ATOM 1414 CB TYR A 93 4.596 -4.811 -3.287 1.00 0.00 C ATOM 1415 CG TYR A 93 5.606 -4.345 -2.237 1.00 0.00 C ATOM 1416 CD1 TYR A 93 5.353 -4.552 -0.896 1.00 0.00 C ATOM 1417 CD2 TYR A 93 6.771 -3.717 -2.630 1.00 0.00 C ATOM 1418 CE1 TYR A 93 6.304 -4.114 0.093 1.00 0.00 C ATOM 1419 CE2 TYR A 93 7.722 -3.278 -1.641 1.00 0.00 C ATOM 1420 CZ TYR A 93 7.441 -3.498 -0.329 1.00 0.00 C ATOM 1421 OH TYR A 93 8.339 -3.084 0.605 1.00 0.00 O ATOM 0 H TYR A 93 4.928 -6.739 -1.398 1.00 0.00 H new ATOM 0 HA TYR A 93 3.708 -6.638 -4.113 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.881 -4.404 -4.257 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.617 -4.398 -3.043 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.441 -5.043 -0.588 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.969 -3.555 -3.679 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.119 -4.271 1.145 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.637 -2.785 -1.935 1.00 0.00 H new ATOM 0 HH TYR A 93 9.103 -2.662 0.160 1.00 0.00 H new ATOM 1431 N GLU A 94 6.071 -6.694 -5.175 1.00 0.00 N ATOM 1432 CA GLU A 94 7.302 -7.178 -5.776 1.00 0.00 C ATOM 1433 C GLU A 94 8.267 -6.016 -6.019 1.00 0.00 C ATOM 1434 O GLU A 94 7.857 -4.947 -6.468 1.00 0.00 O ATOM 1435 CB GLU A 94 7.017 -7.935 -7.075 1.00 0.00 C ATOM 1436 CG GLU A 94 8.293 -8.103 -7.903 1.00 0.00 C ATOM 1437 CD GLU A 94 8.402 -9.524 -8.461 1.00 0.00 C ATOM 1438 OE1 GLU A 94 7.461 -9.924 -9.179 1.00 0.00 O ATOM 1439 OE2 GLU A 94 9.423 -10.177 -8.156 1.00 0.00 O ATOM 0 H GLU A 94 5.450 -6.198 -5.815 1.00 0.00 H new ATOM 0 HA GLU A 94 7.772 -7.876 -5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.597 -8.914 -6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.269 -7.396 -7.657 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.296 -7.385 -8.723 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.163 -7.884 -7.285 1.00 0.00 H new ATOM 1446 N GLY A 95 9.532 -6.265 -5.712 1.00 0.00 N ATOM 1447 CA GLY A 95 10.559 -5.253 -5.891 1.00 0.00 C ATOM 1448 C GLY A 95 10.308 -4.050 -4.979 1.00 0.00 C ATOM 1449 O GLY A 95 9.161 -3.725 -4.676 1.00 0.00 O ATOM 0 H GLY A 95 9.869 -7.153 -5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.538 -5.681 -5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.577 -4.928 -6.931 1.00 0.00 H new ATOM 1453 N GLU A 96 11.400 -3.423 -4.567 1.00 0.00 N ATOM 1454 CA GLU A 96 11.313 -2.263 -3.696 1.00 0.00 C ATOM 1455 C GLU A 96 10.309 -1.253 -4.255 1.00 0.00 C ATOM 1456 O GLU A 96 9.714 -1.481 -5.308 1.00 0.00 O ATOM 1457 CB GLU A 96 12.687 -1.619 -3.501 1.00 0.00 C ATOM 1458 CG GLU A 96 13.195 -1.006 -4.807 1.00 0.00 C ATOM 1459 CD GLU A 96 14.089 0.205 -4.533 1.00 0.00 C ATOM 1460 OE1 GLU A 96 13.625 1.095 -3.788 1.00 0.00 O ATOM 1461 OE2 GLU A 96 15.215 0.214 -5.075 1.00 0.00 O ATOM 0 H GLU A 96 12.350 -3.696 -4.820 1.00 0.00 H new ATOM 0 HA GLU A 96 10.961 -2.593 -2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.626 -0.848 -2.733 1.00 0.00 H new ATOM 0 HB3 GLU A 96 13.396 -2.367 -3.146 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.752 -1.754 -5.371 1.00 0.00 H new ATOM 0 HG3 GLU A 96 12.349 -0.706 -5.425 1.00 0.00 H new ATOM 1468 N ARG A 97 10.150 -0.159 -3.526 1.00 0.00 N ATOM 1469 CA ARG A 97 9.228 0.887 -3.936 1.00 0.00 C ATOM 1470 C ARG A 97 9.840 1.722 -5.062 1.00 0.00 C ATOM 1471 O ARG A 97 11.050 1.686 -5.280 1.00 0.00 O ATOM 1472 CB ARG A 97 8.878 1.804 -2.763 1.00 0.00 C ATOM 1473 CG ARG A 97 8.395 0.993 -1.558 1.00 0.00 C ATOM 1474 CD ARG A 97 7.822 1.908 -0.475 1.00 0.00 C ATOM 1475 NE ARG A 97 8.702 1.896 0.715 1.00 0.00 N ATOM 1476 CZ ARG A 97 8.633 2.791 1.710 1.00 0.00 C ATOM 1477 NH1 ARG A 97 7.725 3.776 1.664 1.00 0.00 N ATOM 1478 NH2 ARG A 97 9.472 2.703 2.751 1.00 0.00 N ATOM 0 H ARG A 97 10.644 0.026 -2.653 1.00 0.00 H new ATOM 0 HA ARG A 97 8.317 0.405 -4.290 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.752 2.392 -2.483 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.103 2.508 -3.066 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.634 0.280 -1.876 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.223 0.414 -1.149 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.728 2.924 -0.858 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.820 1.577 -0.200 1.00 0.00 H new ATOM 0 HE ARG A 97 9.405 1.160 0.782 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.086 3.844 0.872 1.00 0.00 H new ATOM 0 HH12 ARG A 97 7.673 4.457 2.421 1.00 0.00 H new ATOM 0 HH21 ARG A 97 10.164 1.954 2.787 1.00 0.00 H new ATOM 0 HH22 ARG A 97 9.419 3.385 3.508 1.00 0.00 H new ATOM 1492 N THR A 98 8.976 2.456 -5.748 1.00 0.00 N ATOM 1493 CA THR A 98 9.416 3.300 -6.846 1.00 0.00 C ATOM 1494 C THR A 98 10.285 4.446 -6.323 1.00 0.00 C ATOM 1495 O THR A 98 10.733 4.417 -5.178 1.00 0.00 O ATOM 1496 CB THR A 98 8.175 3.775 -7.605 1.00 0.00 C ATOM 1497 OG1 THR A 98 7.265 4.157 -6.577 1.00 0.00 O ATOM 1498 CG2 THR A 98 7.460 2.634 -8.331 1.00 0.00 C ATOM 0 H THR A 98 7.973 2.484 -5.565 1.00 0.00 H new ATOM 0 HA THR A 98 10.047 2.747 -7.541 1.00 0.00 H new ATOM 0 HB THR A 98 8.461 4.540 -8.326 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.631 3.428 -6.414 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.587 3.026 -8.853 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.140 2.179 -9.051 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.143 1.884 -7.607 1.00 0.00 H new ATOM 1506 N ILE A 99 10.496 5.428 -7.188 1.00 0.00 N ATOM 1507 CA ILE A 99 11.303 6.581 -6.827 1.00 0.00 C ATOM 1508 C ILE A 99 10.445 7.572 -6.037 1.00 0.00 C ATOM 1509 O ILE A 99 9.224 7.600 -6.189 1.00 0.00 O ATOM 1510 CB ILE A 99 11.955 7.188 -8.071 1.00 0.00 C ATOM 1511 CG1 ILE A 99 12.928 6.200 -8.718 1.00 0.00 C ATOM 1512 CG2 ILE A 99 12.627 8.523 -7.742 1.00 0.00 C ATOM 1513 CD1 ILE A 99 12.795 6.218 -10.242 1.00 0.00 C ATOM 0 H ILE A 99 10.122 5.449 -8.137 1.00 0.00 H new ATOM 0 HA ILE A 99 12.125 6.282 -6.177 1.00 0.00 H new ATOM 0 HB ILE A 99 11.172 7.393 -8.801 1.00 0.00 H new ATOM 0 HG12 ILE A 99 13.950 6.453 -8.436 1.00 0.00 H new ATOM 0 HG13 ILE A 99 12.733 5.195 -8.344 1.00 0.00 H new ATOM 0 HG21 ILE A 99 13.083 8.933 -8.643 1.00 0.00 H new ATOM 0 HG22 ILE A 99 11.882 9.222 -7.362 1.00 0.00 H new ATOM 0 HG23 ILE A 99 13.396 8.367 -6.986 1.00 0.00 H new ATOM 0 HD11 ILE A 99 13.497 5.507 -10.677 1.00 0.00 H new ATOM 0 HD12 ILE A 99 11.779 5.941 -10.522 1.00 0.00 H new ATOM 0 HD13 ILE A 99 13.014 7.219 -10.615 1.00 0.00 H new ATOM 1525 N ARG A 100 11.117 8.359 -5.211 1.00 0.00 N ATOM 1526 CA ARG A 100 10.431 9.349 -4.397 1.00 0.00 C ATOM 1527 C ARG A 100 9.299 8.692 -3.605 1.00 0.00 C ATOM 1528 O ARG A 100 8.125 8.882 -3.918 1.00 0.00 O ATOM 1529 CB ARG A 100 9.854 10.470 -5.263 1.00 0.00 C ATOM 1530 CG ARG A 100 10.968 11.344 -5.843 1.00 0.00 C ATOM 1531 CD ARG A 100 10.710 11.654 -7.318 1.00 0.00 C ATOM 1532 NE ARG A 100 9.607 12.633 -7.444 1.00 0.00 N ATOM 1533 CZ ARG A 100 9.332 13.316 -8.563 1.00 0.00 C ATOM 1534 NH1 ARG A 100 10.079 13.132 -9.660 1.00 0.00 N ATOM 1535 NH2 ARG A 100 8.311 14.184 -8.586 1.00 0.00 N ATOM 0 H ARG A 100 12.129 8.332 -5.087 1.00 0.00 H new ATOM 0 HA ARG A 100 11.161 9.776 -3.709 1.00 0.00 H new ATOM 0 HB2 ARG A 100 9.264 10.041 -6.073 1.00 0.00 H new ATOM 0 HB3 ARG A 100 9.179 11.084 -4.667 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.036 12.274 -5.279 1.00 0.00 H new ATOM 0 HG3 ARG A 100 11.926 10.836 -5.737 1.00 0.00 H new ATOM 0 HD2 ARG A 100 11.615 12.052 -7.778 1.00 0.00 H new ATOM 0 HD3 ARG A 100 10.457 10.738 -7.852 1.00 0.00 H new ATOM 0 HE ARG A 100 9.019 12.798 -6.627 1.00 0.00 H new ATOM 0 HH11 ARG A 100 10.857 12.472 -9.643 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.870 13.652 -10.512 1.00 0.00 H new ATOM 0 HH21 ARG A 100 7.743 14.325 -7.751 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.102 14.704 -9.439 1.00 0.00 H new ATOM 1549 N GLY A 101 9.691 7.931 -2.593 1.00 0.00 N ATOM 1550 CA GLY A 101 8.724 7.245 -1.754 1.00 0.00 C ATOM 1551 C GLY A 101 8.106 8.203 -0.733 1.00 0.00 C ATOM 1552 O GLY A 101 6.916 8.507 -0.803 1.00 0.00 O ATOM 0 H GLY A 101 10.666 7.775 -2.336 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.939 6.814 -2.375 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.209 6.418 -1.235 1.00 0.00 H new ATOM 1556 N SER A 102 8.943 8.652 0.191 1.00 0.00 N ATOM 1557 CA SER A 102 8.494 9.570 1.224 1.00 0.00 C ATOM 1558 C SER A 102 7.788 10.770 0.589 1.00 0.00 C ATOM 1559 O SER A 102 6.597 10.981 0.807 1.00 0.00 O ATOM 1560 CB SER A 102 9.664 10.040 2.090 1.00 0.00 C ATOM 1561 OG SER A 102 9.803 9.255 3.272 1.00 0.00 O ATOM 0 H SER A 102 9.929 8.397 0.246 1.00 0.00 H new ATOM 0 HA SER A 102 7.790 9.042 1.867 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.586 9.990 1.511 1.00 0.00 H new ATOM 0 HB3 SER A 102 9.516 11.085 2.364 1.00 0.00 H new ATOM 0 HG SER A 102 10.562 9.586 3.797 1.00 0.00 H new ATOM 1567 N GLY A 103 8.555 11.524 -0.186 1.00 0.00 N ATOM 1568 CA GLY A 103 8.018 12.697 -0.855 1.00 0.00 C ATOM 1569 C GLY A 103 9.091 13.382 -1.704 1.00 0.00 C ATOM 1570 O GLY A 103 10.283 13.160 -1.502 1.00 0.00 O ATOM 0 H GLY A 103 9.543 11.345 -0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 103 7.179 12.407 -1.487 1.00 0.00 H new ATOM 0 HA3 GLY A 103 7.632 13.398 -0.115 1.00 0.00 H new ATOM 1574 N PRO A 104 8.615 14.222 -2.663 1.00 0.00 N ATOM 1575 CA PRO A 104 9.519 14.941 -3.544 1.00 0.00 C ATOM 1576 C PRO A 104 10.192 16.103 -2.810 1.00 0.00 C ATOM 1577 O PRO A 104 9.693 17.227 -2.832 1.00 0.00 O ATOM 1578 CB PRO A 104 8.655 15.394 -4.709 1.00 0.00 C ATOM 1579 CG PRO A 104 7.219 15.318 -4.217 1.00 0.00 C ATOM 1580 CD PRO A 104 7.209 14.508 -2.931 1.00 0.00 C ATOM 0 HA PRO A 104 10.345 14.322 -3.895 1.00 0.00 H new ATOM 0 HB2 PRO A 104 8.910 16.409 -5.013 1.00 0.00 H new ATOM 0 HB3 PRO A 104 8.804 14.754 -5.578 1.00 0.00 H new ATOM 0 HG2 PRO A 104 6.822 16.318 -4.041 1.00 0.00 H new ATOM 0 HG3 PRO A 104 6.583 14.850 -4.968 1.00 0.00 H new ATOM 0 HD2 PRO A 104 6.756 15.069 -2.113 1.00 0.00 H new ATOM 0 HD3 PRO A 104 6.633 13.590 -3.046 1.00 0.00 H new ATOM 1588 N SER A 105 11.313 15.791 -2.177 1.00 0.00 N ATOM 1589 CA SER A 105 12.059 16.795 -1.438 1.00 0.00 C ATOM 1590 C SER A 105 12.382 17.982 -2.348 1.00 0.00 C ATOM 1591 O SER A 105 12.920 17.804 -3.439 1.00 0.00 O ATOM 1592 CB SER A 105 13.346 16.208 -0.855 1.00 0.00 C ATOM 1593 OG SER A 105 13.082 15.282 0.196 1.00 0.00 O ATOM 0 H SER A 105 11.723 14.857 -2.161 1.00 0.00 H new ATOM 0 HA SER A 105 11.440 17.138 -0.609 1.00 0.00 H new ATOM 0 HB2 SER A 105 13.907 15.709 -1.645 1.00 0.00 H new ATOM 0 HB3 SER A 105 13.974 17.015 -0.478 1.00 0.00 H new ATOM 0 HG SER A 105 13.928 14.928 0.541 1.00 0.00 H new ATOM 1599 N SER A 106 12.040 19.168 -1.865 1.00 0.00 N ATOM 1600 CA SER A 106 12.286 20.384 -2.621 1.00 0.00 C ATOM 1601 C SER A 106 13.725 20.855 -2.398 1.00 0.00 C ATOM 1602 O SER A 106 14.219 20.844 -1.272 1.00 0.00 O ATOM 1603 CB SER A 106 11.300 21.486 -2.229 1.00 0.00 C ATOM 1604 OG SER A 106 10.430 21.830 -3.304 1.00 0.00 O ATOM 0 H SER A 106 11.594 19.312 -0.959 1.00 0.00 H new ATOM 0 HA SER A 106 12.141 20.165 -3.679 1.00 0.00 H new ATOM 0 HB2 SER A 106 10.708 21.156 -1.375 1.00 0.00 H new ATOM 0 HB3 SER A 106 11.852 22.371 -1.912 1.00 0.00 H new ATOM 0 HG SER A 106 9.815 22.535 -3.014 1.00 0.00 H new ATOM 1610 N GLY A 107 14.357 21.259 -3.491 1.00 0.00 N ATOM 1611 CA GLY A 107 15.729 21.734 -3.429 1.00 0.00 C ATOM 1612 C GLY A 107 15.985 22.808 -4.488 1.00 0.00 C ATOM 1613 O GLY A 107 15.165 23.013 -5.381 1.00 0.00 O ATOM 0 H GLY A 107 13.944 21.267 -4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 107 15.933 22.139 -2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 107 16.414 20.899 -3.579 1.00 0.00 H new TER 1617 GLY A 107