USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 824 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 98 ASN : amide:sc= 0.0173 K(o=0.017,f=-1.9) USER MOD Set 1.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 74 THR OG1 : rot 180:sc= -0.263 USER MOD Set 2.2: A 76 ASN : amide:sc=-0.00765 K(o=-1.2,f=-2.4) USER MOD Set 2.3: A 106 THR OG1 : rot -174:sc= -0.924 USER MOD Set 3.1: A 41 SER OG : rot 180:sc= 0.616 USER MOD Set 3.2: A 51 THR OG1 : rot -88:sc= 1.07 USER MOD Set 4.1: A 39 ASN : amide:sc= 1.3 K(o=2.2,f=0.44) USER MOD Set 4.2: A 53 THR OG1 : rot -85:sc= 0.94 USER MOD Set 5.1: A 26 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 64 ASN : amide:sc= 0 X(o=0,f=0.39) USER MOD Set 6.1: A 1 MET CE :methyl 157:sc= -0.333 (180deg=-0.964) USER MOD Set 6.2: A 32 ASN : amide:sc= -0.922 K(o=-1.3,f=-0.51) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0 (180deg=-0.00942) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -1.03 K(o=-1,f=-0.22) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.3) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -149:sc= -1.93 (180deg=-2.94) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.0655! C(o=0.065!,f=-4.1!) USER MOD Single : A 30 GLN : amide:sc= 0.954 K(o=0.95,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= -0.0316 (180deg=-0.308) USER MOD Single : A 35 SER OG : rot -8:sc= -1.35 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0541 USER MOD Single : A 37 SER OG : rot 35:sc= 0.115 USER MOD Single : A 52 GLN : amide:sc= 0.35 K(o=0.35,f=-7.4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.037 USER MOD Single : A 61 ASN : amide:sc= -0.897 X(o=-0.9,f=-0.95) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.00144 USER MOD Single : A 68 HIS : no HE2:sc= 1.14 K(o=1.1,f=-5!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -1.23 USER MOD Single : A 78 TYR OH : rot 180:sc= 0.726 USER MOD Single : A 79 THR OG1 : rot 79:sc= 1.24 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 88 ASN : amide:sc= -1.4! K(o=-1.4!,f=-0.22) USER MOD Single : A 91 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 94 ASN : amide:sc= -0.0226 K(o=-0.023,f=-2.2) USER MOD Single : A 96 SER OG : rot 81:sc= 1.28 USER MOD Single : A 97 ASN : amide:sc= -0.459 K(o=-0.46,f=-6.4!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 HIS : no HE2:sc= 1.05 K(o=1,f=-5.3!) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.080 14.907 -8.913 1.00 0.00 N ATOM 2 CA MET A 1 -13.647 14.831 -8.562 1.00 0.00 C ATOM 3 C MET A 1 -13.456 13.978 -7.322 1.00 0.00 C ATOM 4 O MET A 1 -13.390 14.496 -6.210 1.00 0.00 O ATOM 5 CB MET A 1 -13.066 16.224 -8.307 1.00 0.00 C ATOM 6 CG MET A 1 -13.038 17.121 -9.530 1.00 0.00 C ATOM 7 SD MET A 1 -12.236 18.704 -9.205 1.00 0.00 S ATOM 8 CE MET A 1 -10.585 18.161 -8.766 1.00 0.00 C ATOM 0 H1 MET A 1 -15.194 15.451 -9.792 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.455 13.947 -9.049 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.601 15.377 -8.145 1.00 0.00 H new ATOM 0 HA MET A 1 -13.123 14.380 -9.405 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.650 16.711 -7.526 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.051 16.117 -7.926 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.515 16.611 -10.339 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.058 17.297 -9.871 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.878 18.974 -8.933 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.564 17.872 -7.715 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.307 17.306 -9.383 1.00 0.00 H new ATOM 20 N ILE A 2 -13.413 12.671 -7.507 1.00 0.00 N ATOM 21 CA ILE A 2 -13.209 11.760 -6.396 1.00 0.00 C ATOM 22 C ILE A 2 -11.864 11.040 -6.556 1.00 0.00 C ATOM 23 O ILE A 2 -11.455 10.727 -7.677 1.00 0.00 O ATOM 24 CB ILE A 2 -14.383 10.745 -6.304 1.00 0.00 C ATOM 25 CG1 ILE A 2 -14.361 9.994 -4.971 1.00 0.00 C ATOM 26 CG2 ILE A 2 -14.345 9.762 -7.469 1.00 0.00 C ATOM 27 CD1 ILE A 2 -15.593 9.146 -4.734 1.00 0.00 C ATOM 0 H ILE A 2 -13.516 12.217 -8.415 1.00 0.00 H new ATOM 0 HA ILE A 2 -13.187 12.327 -5.466 1.00 0.00 H new ATOM 0 HB ILE A 2 -15.313 11.310 -6.360 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -13.478 9.355 -4.938 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -14.264 10.715 -4.159 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -15.176 9.062 -7.382 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -14.427 10.308 -8.409 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -13.404 9.212 -7.450 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -15.509 8.643 -3.771 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -16.478 9.782 -4.735 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -15.680 8.402 -5.526 1.00 0.00 H new ATOM 39 N PRO A 3 -11.141 10.799 -5.452 1.00 0.00 N ATOM 40 CA PRO A 3 -9.888 10.050 -5.484 1.00 0.00 C ATOM 41 C PRO A 3 -10.114 8.548 -5.636 1.00 0.00 C ATOM 42 O PRO A 3 -11.192 8.030 -5.329 1.00 0.00 O ATOM 43 CB PRO A 3 -9.242 10.369 -4.137 1.00 0.00 C ATOM 44 CG PRO A 3 -10.380 10.687 -3.232 1.00 0.00 C ATOM 45 CD PRO A 3 -11.463 11.277 -4.095 1.00 0.00 C ATOM 0 HA PRO A 3 -9.269 10.328 -6.337 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.666 9.522 -3.765 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.555 11.211 -4.218 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.734 9.790 -2.725 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.075 11.391 -2.458 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.451 10.943 -3.779 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.464 12.366 -4.045 1.00 0.00 H new ATOM 53 N ASP A 4 -9.100 7.864 -6.135 1.00 0.00 N ATOM 54 CA ASP A 4 -9.149 6.431 -6.332 1.00 0.00 C ATOM 55 C ASP A 4 -7.756 5.886 -6.083 1.00 0.00 C ATOM 56 O ASP A 4 -6.888 5.983 -6.944 1.00 0.00 O ATOM 57 CB ASP A 4 -9.615 6.120 -7.764 1.00 0.00 C ATOM 58 CG ASP A 4 -9.784 4.640 -8.048 1.00 0.00 C ATOM 59 OD1 ASP A 4 -10.873 4.097 -7.772 1.00 0.00 O ATOM 60 OD2 ASP A 4 -8.850 4.019 -8.593 1.00 0.00 O ATOM 0 H ASP A 4 -8.217 8.291 -6.415 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.856 5.965 -5.645 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.564 6.625 -7.944 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.894 6.535 -8.468 1.00 0.00 H new ATOM 65 N LEU A 5 -7.524 5.332 -4.904 1.00 0.00 N ATOM 66 CA LEU A 5 -6.173 4.968 -4.521 1.00 0.00 C ATOM 67 C LEU A 5 -5.976 3.487 -4.737 1.00 0.00 C ATOM 68 O LEU A 5 -6.745 2.660 -4.256 1.00 0.00 O ATOM 69 CB LEU A 5 -5.932 5.303 -3.043 1.00 0.00 C ATOM 70 CG LEU A 5 -6.297 6.727 -2.626 1.00 0.00 C ATOM 71 CD1 LEU A 5 -6.153 6.896 -1.123 1.00 0.00 C ATOM 72 CD2 LEU A 5 -5.426 7.732 -3.353 1.00 0.00 C ATOM 0 H LEU A 5 -8.241 5.128 -4.208 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.466 5.530 -5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.505 4.605 -2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.879 5.135 -2.817 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.337 6.907 -2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.417 7.916 -0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.816 6.197 -0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.122 6.696 -0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.699 8.741 -3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.379 7.549 -3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.572 7.630 -4.428 1.00 0.00 H new ATOM 84 N VAL A 6 -4.937 3.154 -5.471 1.00 0.00 N ATOM 85 CA VAL A 6 -4.689 1.779 -5.822 1.00 0.00 C ATOM 86 C VAL A 6 -3.284 1.365 -5.409 1.00 0.00 C ATOM 87 O VAL A 6 -2.339 2.139 -5.555 1.00 0.00 O ATOM 88 CB VAL A 6 -4.858 1.597 -7.347 1.00 0.00 C ATOM 89 CG1 VAL A 6 -4.947 0.127 -7.727 1.00 0.00 C ATOM 90 CG2 VAL A 6 -6.079 2.366 -7.843 1.00 0.00 C ATOM 0 H VAL A 6 -4.253 3.818 -5.834 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.405 1.149 -5.295 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.972 2.005 -7.834 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.065 0.037 -8.807 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.035 -0.385 -7.418 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.804 -0.326 -7.229 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.184 2.227 -8.919 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.972 1.994 -7.341 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.955 3.427 -7.624 1.00 0.00 H new ATOM 100 N PRO A 7 -3.119 0.145 -4.899 1.00 0.00 N ATOM 101 CA PRO A 7 -1.819 -0.467 -4.736 1.00 0.00 C ATOM 102 C PRO A 7 -1.431 -1.191 -6.016 1.00 0.00 C ATOM 103 O PRO A 7 -1.999 -2.231 -6.353 1.00 0.00 O ATOM 104 CB PRO A 7 -2.017 -1.450 -3.574 1.00 0.00 C ATOM 105 CG PRO A 7 -3.476 -1.386 -3.220 1.00 0.00 C ATOM 106 CD PRO A 7 -4.169 -0.722 -4.376 1.00 0.00 C ATOM 0 HA PRO A 7 -1.022 0.248 -4.533 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.730 -2.461 -3.865 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.396 -1.176 -2.721 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.878 -2.385 -3.049 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.627 -0.820 -2.301 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.509 -1.445 -5.118 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.044 -0.156 -4.057 1.00 0.00 H new ATOM 114 N VAL A 8 -0.490 -0.615 -6.737 1.00 0.00 N ATOM 115 CA VAL A 8 -0.159 -1.078 -8.076 1.00 0.00 C ATOM 116 C VAL A 8 0.679 -2.349 -8.011 1.00 0.00 C ATOM 117 O VAL A 8 0.276 -3.397 -8.512 1.00 0.00 O ATOM 118 CB VAL A 8 0.605 0.007 -8.865 1.00 0.00 C ATOM 119 CG1 VAL A 8 0.552 -0.272 -10.356 1.00 0.00 C ATOM 120 CG2 VAL A 8 0.048 1.390 -8.564 1.00 0.00 C ATOM 0 H VAL A 8 0.064 0.180 -6.418 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.094 -1.292 -8.593 1.00 0.00 H new ATOM 0 HB VAL A 8 1.647 -0.019 -8.547 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.097 0.506 -10.891 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.007 -1.241 -10.561 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.486 -0.281 -10.688 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.603 2.137 -9.132 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.004 1.428 -8.846 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.146 1.598 -7.498 1.00 0.00 H new ATOM 130 N SER A 9 1.836 -2.252 -7.382 1.00 0.00 N ATOM 131 CA SER A 9 2.705 -3.398 -7.206 1.00 0.00 C ATOM 132 C SER A 9 3.584 -3.180 -5.983 1.00 0.00 C ATOM 133 O SER A 9 3.811 -2.038 -5.573 1.00 0.00 O ATOM 134 CB SER A 9 3.569 -3.613 -8.454 1.00 0.00 C ATOM 135 OG SER A 9 4.208 -4.879 -8.422 1.00 0.00 O ATOM 0 H SER A 9 2.196 -1.385 -6.983 1.00 0.00 H new ATOM 0 HA SER A 9 2.097 -4.290 -7.058 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.948 -3.538 -9.347 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.319 -2.825 -8.521 1.00 0.00 H new ATOM 0 HG SER A 9 4.751 -4.992 -9.230 1.00 0.00 H new ATOM 141 N LEU A 10 4.044 -4.266 -5.383 1.00 0.00 N ATOM 142 CA LEU A 10 4.940 -4.173 -4.249 1.00 0.00 C ATOM 143 C LEU A 10 6.179 -5.029 -4.488 1.00 0.00 C ATOM 144 O LEU A 10 6.088 -6.202 -4.852 1.00 0.00 O ATOM 145 CB LEU A 10 4.230 -4.526 -2.934 1.00 0.00 C ATOM 146 CG LEU A 10 4.035 -6.008 -2.621 1.00 0.00 C ATOM 147 CD1 LEU A 10 5.219 -6.543 -1.832 1.00 0.00 C ATOM 148 CD2 LEU A 10 2.752 -6.206 -1.842 1.00 0.00 C ATOM 0 H LEU A 10 3.811 -5.218 -5.664 1.00 0.00 H new ATOM 0 HA LEU A 10 5.265 -3.137 -4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.794 -4.079 -2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.249 -4.051 -2.942 1.00 0.00 H new ATOM 0 HG LEU A 10 3.968 -6.560 -3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.065 -7.600 -1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.131 -6.421 -2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.311 -5.992 -0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.620 -7.265 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.803 -5.645 -0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.909 -5.850 -2.434 1.00 0.00 H new ATOM 160 N THR A 11 7.321 -4.404 -4.331 1.00 0.00 N ATOM 161 CA THR A 11 8.610 -5.018 -4.604 1.00 0.00 C ATOM 162 C THR A 11 9.491 -5.005 -3.358 1.00 0.00 C ATOM 163 O THR A 11 9.606 -3.977 -2.685 1.00 0.00 O ATOM 164 CB THR A 11 9.328 -4.323 -5.770 1.00 0.00 C ATOM 165 OG1 THR A 11 9.083 -2.909 -5.726 1.00 0.00 O ATOM 166 CG2 THR A 11 8.866 -4.885 -7.104 1.00 0.00 C ATOM 0 H THR A 11 7.388 -3.440 -4.005 1.00 0.00 H new ATOM 0 HA THR A 11 8.425 -6.053 -4.891 1.00 0.00 H new ATOM 0 HB THR A 11 10.398 -4.507 -5.670 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.546 -2.473 -6.472 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.389 -4.376 -7.914 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.085 -5.952 -7.145 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.792 -4.730 -7.212 1.00 0.00 H new ATOM 174 N PRO A 12 10.104 -6.144 -3.007 1.00 0.00 N ATOM 175 CA PRO A 12 10.125 -7.341 -3.845 1.00 0.00 C ATOM 176 C PRO A 12 8.962 -8.293 -3.576 1.00 0.00 C ATOM 177 O PRO A 12 8.161 -8.072 -2.672 1.00 0.00 O ATOM 178 CB PRO A 12 11.450 -7.985 -3.443 1.00 0.00 C ATOM 179 CG PRO A 12 11.641 -7.616 -2.005 1.00 0.00 C ATOM 180 CD PRO A 12 10.852 -6.351 -1.758 1.00 0.00 C ATOM 0 HA PRO A 12 10.029 -7.104 -4.905 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.418 -9.067 -3.572 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.271 -7.615 -4.058 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.295 -8.418 -1.353 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.697 -7.459 -1.785 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.182 -6.460 -0.905 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.508 -5.508 -1.542 1.00 0.00 H new ATOM 188 N VAL A 13 8.872 -9.348 -4.376 1.00 0.00 N ATOM 189 CA VAL A 13 7.829 -10.353 -4.199 1.00 0.00 C ATOM 190 C VAL A 13 8.359 -11.577 -3.450 1.00 0.00 C ATOM 191 O VAL A 13 7.595 -12.443 -3.028 1.00 0.00 O ATOM 192 CB VAL A 13 7.219 -10.797 -5.547 1.00 0.00 C ATOM 193 CG1 VAL A 13 6.631 -9.607 -6.290 1.00 0.00 C ATOM 194 CG2 VAL A 13 8.249 -11.513 -6.408 1.00 0.00 C ATOM 0 H VAL A 13 9.507 -9.531 -5.153 1.00 0.00 H new ATOM 0 HA VAL A 13 7.045 -9.884 -3.605 1.00 0.00 H new ATOM 0 HB VAL A 13 6.414 -11.501 -5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.207 -9.942 -7.236 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.849 -9.150 -5.684 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.415 -8.875 -6.483 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.790 -11.813 -7.350 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.085 -10.843 -6.609 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.611 -12.397 -5.883 1.00 0.00 H new ATOM 204 N THR A 14 9.670 -11.659 -3.304 1.00 0.00 N ATOM 205 CA THR A 14 10.277 -12.711 -2.505 1.00 0.00 C ATOM 206 C THR A 14 11.076 -12.075 -1.366 1.00 0.00 C ATOM 207 O THR A 14 11.585 -10.964 -1.520 1.00 0.00 O ATOM 208 CB THR A 14 11.208 -13.595 -3.365 1.00 0.00 C ATOM 209 OG1 THR A 14 10.957 -13.365 -4.760 1.00 0.00 O ATOM 210 CG2 THR A 14 11.006 -15.073 -3.065 1.00 0.00 C ATOM 0 H THR A 14 10.334 -11.011 -3.727 1.00 0.00 H new ATOM 0 HA THR A 14 9.487 -13.344 -2.101 1.00 0.00 H new ATOM 0 HB THR A 14 12.235 -13.325 -3.119 1.00 0.00 H new ATOM 0 HG1 THR A 14 11.553 -13.928 -5.297 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.677 -15.666 -3.687 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.223 -15.264 -2.014 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.974 -15.350 -3.278 1.00 0.00 H new ATOM 218 N VAL A 15 11.207 -12.766 -0.236 1.00 0.00 N ATOM 219 CA VAL A 15 11.914 -12.204 0.912 1.00 0.00 C ATOM 220 C VAL A 15 12.710 -13.270 1.653 1.00 0.00 C ATOM 221 O VAL A 15 12.410 -14.459 1.567 1.00 0.00 O ATOM 222 CB VAL A 15 10.930 -11.553 1.913 1.00 0.00 C ATOM 223 CG1 VAL A 15 10.277 -10.319 1.314 1.00 0.00 C ATOM 224 CG2 VAL A 15 9.873 -12.556 2.350 1.00 0.00 C ATOM 0 H VAL A 15 10.837 -13.706 -0.091 1.00 0.00 H new ATOM 0 HA VAL A 15 12.593 -11.449 0.517 1.00 0.00 H new ATOM 0 HB VAL A 15 11.498 -11.242 2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.591 -9.882 2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 15 11.045 -9.590 1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.726 -10.598 0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.190 -12.081 3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.315 -12.900 1.479 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.356 -13.407 2.831 1.00 0.00 H new ATOM 234 N VAL A 16 13.723 -12.835 2.388 1.00 0.00 N ATOM 235 CA VAL A 16 14.545 -13.736 3.168 1.00 0.00 C ATOM 236 C VAL A 16 14.116 -13.743 4.632 1.00 0.00 C ATOM 237 O VAL A 16 13.707 -12.713 5.170 1.00 0.00 O ATOM 238 CB VAL A 16 16.035 -13.358 3.075 1.00 0.00 C ATOM 239 CG1 VAL A 16 16.631 -13.846 1.764 1.00 0.00 C ATOM 240 CG2 VAL A 16 16.225 -11.854 3.213 1.00 0.00 C ATOM 0 H VAL A 16 13.994 -11.854 2.458 1.00 0.00 H new ATOM 0 HA VAL A 16 14.408 -14.734 2.751 1.00 0.00 H new ATOM 0 HB VAL A 16 16.557 -13.846 3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 16 17.684 -13.569 1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 16 16.538 -14.930 1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 16 16.099 -13.389 0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.286 -11.613 3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 16 15.685 -11.344 2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 16 15.841 -11.526 4.179 1.00 0.00 H new ATOM 250 N PRO A 17 14.189 -14.907 5.292 1.00 0.00 N ATOM 251 CA PRO A 17 13.834 -15.042 6.698 1.00 0.00 C ATOM 252 C PRO A 17 14.971 -14.633 7.632 1.00 0.00 C ATOM 253 O PRO A 17 16.120 -14.501 7.203 1.00 0.00 O ATOM 254 CB PRO A 17 13.529 -16.542 6.856 1.00 0.00 C ATOM 255 CG PRO A 17 13.740 -17.158 5.506 1.00 0.00 C ATOM 256 CD PRO A 17 14.591 -16.197 4.729 1.00 0.00 C ATOM 0 HA PRO A 17 12.999 -14.393 6.963 1.00 0.00 H new ATOM 0 HB2 PRO A 17 14.186 -16.996 7.598 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.506 -16.697 7.199 1.00 0.00 H new ATOM 0 HG2 PRO A 17 14.231 -18.127 5.594 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.788 -17.327 5.003 1.00 0.00 H new ATOM 0 HD2 PRO A 17 15.655 -16.389 4.869 1.00 0.00 H new ATOM 0 HD3 PRO A 17 14.395 -16.253 3.658 1.00 0.00 H new ATOM 264 N ASN A 18 14.631 -14.441 8.911 1.00 0.00 N ATOM 265 CA ASN A 18 15.607 -14.140 9.969 1.00 0.00 C ATOM 266 C ASN A 18 16.157 -12.725 9.840 1.00 0.00 C ATOM 267 O ASN A 18 17.246 -12.427 10.334 1.00 0.00 O ATOM 268 CB ASN A 18 16.773 -15.145 9.966 1.00 0.00 C ATOM 269 CG ASN A 18 16.320 -16.585 10.099 1.00 0.00 C ATOM 270 OD1 ASN A 18 16.138 -17.096 11.204 1.00 0.00 O ATOM 271 ND2 ASN A 18 16.156 -17.258 8.969 1.00 0.00 N ATOM 0 H ASN A 18 13.668 -14.490 9.245 1.00 0.00 H new ATOM 0 HA ASN A 18 15.073 -14.224 10.916 1.00 0.00 H new ATOM 0 HB2 ASN A 18 17.339 -15.033 9.041 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.451 -14.907 10.785 1.00 0.00 H new ATOM 0 HD21 ASN A 18 15.869 -18.236 8.995 1.00 0.00 H new ATOM 0 HD22 ASN A 18 16.317 -16.798 8.073 1.00 0.00 H new ATOM 278 N THR A 19 15.400 -11.847 9.202 1.00 0.00 N ATOM 279 CA THR A 19 15.845 -10.478 9.007 1.00 0.00 C ATOM 280 C THR A 19 14.668 -9.579 8.625 1.00 0.00 C ATOM 281 O THR A 19 13.605 -10.073 8.233 1.00 0.00 O ATOM 282 CB THR A 19 16.939 -10.410 7.915 1.00 0.00 C ATOM 283 OG1 THR A 19 17.613 -9.148 7.962 1.00 0.00 O ATOM 284 CG2 THR A 19 16.349 -10.625 6.527 1.00 0.00 C ATOM 0 H THR A 19 14.481 -12.056 8.813 1.00 0.00 H new ATOM 0 HA THR A 19 16.267 -10.122 9.947 1.00 0.00 H new ATOM 0 HB THR A 19 17.654 -11.209 8.113 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.303 -9.120 7.267 1.00 0.00 H new ATOM 0 HG21 THR A 19 17.143 -10.571 5.782 1.00 0.00 H new ATOM 0 HG22 THR A 19 15.874 -11.605 6.481 1.00 0.00 H new ATOM 0 HG23 THR A 19 15.607 -9.853 6.323 1.00 0.00 H new ATOM 292 N VAL A 20 14.855 -8.269 8.759 1.00 0.00 N ATOM 293 CA VAL A 20 13.847 -7.310 8.337 1.00 0.00 C ATOM 294 C VAL A 20 14.152 -6.840 6.923 1.00 0.00 C ATOM 295 O VAL A 20 15.285 -6.469 6.612 1.00 0.00 O ATOM 296 CB VAL A 20 13.775 -6.077 9.268 1.00 0.00 C ATOM 297 CG1 VAL A 20 12.576 -5.206 8.915 1.00 0.00 C ATOM 298 CG2 VAL A 20 13.712 -6.499 10.726 1.00 0.00 C ATOM 0 H VAL A 20 15.696 -7.851 9.157 1.00 0.00 H new ATOM 0 HA VAL A 20 12.883 -7.818 8.380 1.00 0.00 H new ATOM 0 HB VAL A 20 14.683 -5.492 9.122 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.544 -4.344 9.582 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.666 -4.864 7.884 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.660 -5.786 9.027 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.662 -5.613 11.359 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.826 -7.112 10.889 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.603 -7.075 10.977 1.00 0.00 H new ATOM 308 N ASN A 21 13.147 -6.873 6.075 1.00 0.00 N ATOM 309 CA ASN A 21 13.291 -6.448 4.695 1.00 0.00 C ATOM 310 C ASN A 21 12.352 -5.287 4.400 1.00 0.00 C ATOM 311 O ASN A 21 11.312 -5.131 5.047 1.00 0.00 O ATOM 312 CB ASN A 21 13.013 -7.612 3.740 1.00 0.00 C ATOM 313 CG ASN A 21 11.735 -8.356 4.079 1.00 0.00 C ATOM 314 OD1 ASN A 21 10.651 -7.981 3.651 1.00 0.00 O ATOM 315 ND2 ASN A 21 11.862 -9.427 4.846 1.00 0.00 N ATOM 0 H ASN A 21 12.210 -7.193 6.319 1.00 0.00 H new ATOM 0 HA ASN A 21 14.318 -6.116 4.542 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.948 -7.232 2.720 1.00 0.00 H new ATOM 0 HB3 ASN A 21 13.852 -8.308 3.768 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.039 -9.973 5.100 1.00 0.00 H new ATOM 0 HD22 ASN A 21 12.783 -9.707 5.183 1.00 0.00 H new ATOM 322 N THR A 22 12.739 -4.463 3.443 1.00 0.00 N ATOM 323 CA THR A 22 11.958 -3.298 3.079 1.00 0.00 C ATOM 324 C THR A 22 11.066 -3.582 1.872 1.00 0.00 C ATOM 325 O THR A 22 11.546 -3.730 0.744 1.00 0.00 O ATOM 326 CB THR A 22 12.876 -2.101 2.776 1.00 0.00 C ATOM 327 OG1 THR A 22 13.697 -1.823 3.917 1.00 0.00 O ATOM 328 CG2 THR A 22 12.062 -0.869 2.418 1.00 0.00 C ATOM 0 H THR A 22 13.595 -4.582 2.902 1.00 0.00 H new ATOM 0 HA THR A 22 11.321 -3.053 3.929 1.00 0.00 H new ATOM 0 HB THR A 22 13.505 -2.356 1.924 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.282 -1.062 3.721 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.734 -0.037 2.208 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.456 -1.077 1.536 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.411 -0.608 3.252 1.00 0.00 H new ATOM 336 N MET A 23 9.768 -3.659 2.122 1.00 0.00 N ATOM 337 CA MET A 23 8.797 -3.901 1.066 1.00 0.00 C ATOM 338 C MET A 23 8.286 -2.572 0.525 1.00 0.00 C ATOM 339 O MET A 23 7.788 -1.737 1.280 1.00 0.00 O ATOM 340 CB MET A 23 7.631 -4.739 1.597 1.00 0.00 C ATOM 341 CG MET A 23 8.073 -6.005 2.313 1.00 0.00 C ATOM 342 SD MET A 23 8.969 -7.135 1.234 1.00 0.00 S ATOM 343 CE MET A 23 7.624 -7.836 0.288 1.00 0.00 C ATOM 0 H MET A 23 9.361 -3.557 3.052 1.00 0.00 H new ATOM 0 HA MET A 23 9.280 -4.453 0.260 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.039 -4.131 2.281 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.980 -5.009 0.766 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.706 -5.737 3.159 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.198 -6.513 2.718 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.871 -8.860 0.007 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.716 -7.834 0.891 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.464 -7.242 -0.612 1.00 0.00 H new ATOM 353 N THR A 24 8.423 -2.369 -0.772 1.00 0.00 N ATOM 354 CA THR A 24 8.019 -1.117 -1.389 1.00 0.00 C ATOM 355 C THR A 24 6.738 -1.289 -2.204 1.00 0.00 C ATOM 356 O THR A 24 6.763 -1.844 -3.301 1.00 0.00 O ATOM 357 CB THR A 24 9.140 -0.572 -2.295 1.00 0.00 C ATOM 358 OG1 THR A 24 10.382 -0.579 -1.575 1.00 0.00 O ATOM 359 CG2 THR A 24 8.827 0.843 -2.757 1.00 0.00 C ATOM 0 H THR A 24 8.811 -3.055 -1.420 1.00 0.00 H new ATOM 0 HA THR A 24 7.827 -0.403 -0.588 1.00 0.00 H new ATOM 0 HB THR A 24 9.216 -1.212 -3.174 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.096 -0.234 -2.151 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.634 1.204 -3.395 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.892 0.844 -3.318 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.730 1.496 -1.890 1.00 0.00 H new ATOM 367 N ALA A 25 5.619 -0.837 -1.649 1.00 0.00 N ATOM 368 CA ALA A 25 4.346 -0.869 -2.356 1.00 0.00 C ATOM 369 C ALA A 25 4.053 0.484 -2.987 1.00 0.00 C ATOM 370 O ALA A 25 4.026 1.499 -2.303 1.00 0.00 O ATOM 371 CB ALA A 25 3.220 -1.259 -1.410 1.00 0.00 C ATOM 0 H ALA A 25 5.569 -0.443 -0.709 1.00 0.00 H new ATOM 0 HA ALA A 25 4.413 -1.617 -3.146 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.277 -1.278 -1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.419 -2.247 -0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.157 -0.532 -0.600 1.00 0.00 H new ATOM 377 N THR A 26 3.849 0.499 -4.289 1.00 0.00 N ATOM 378 CA THR A 26 3.536 1.735 -4.987 1.00 0.00 C ATOM 379 C THR A 26 2.030 1.988 -4.982 1.00 0.00 C ATOM 380 O THR A 26 1.249 1.161 -5.458 1.00 0.00 O ATOM 381 CB THR A 26 4.051 1.695 -6.436 1.00 0.00 C ATOM 382 OG1 THR A 26 5.419 1.268 -6.449 1.00 0.00 O ATOM 383 CG2 THR A 26 3.940 3.062 -7.096 1.00 0.00 C ATOM 0 H THR A 26 3.894 -0.327 -4.886 1.00 0.00 H new ATOM 0 HA THR A 26 4.036 2.549 -4.462 1.00 0.00 H new ATOM 0 HB THR A 26 3.436 0.991 -6.997 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.745 1.242 -7.373 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.311 3.003 -8.119 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.897 3.378 -7.106 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.532 3.786 -6.536 1.00 0.00 H new ATOM 391 N ILE A 27 1.626 3.123 -4.426 1.00 0.00 N ATOM 392 CA ILE A 27 0.220 3.485 -4.364 1.00 0.00 C ATOM 393 C ILE A 27 -0.064 4.599 -5.360 1.00 0.00 C ATOM 394 O ILE A 27 0.479 5.697 -5.240 1.00 0.00 O ATOM 395 CB ILE A 27 -0.192 3.959 -2.952 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.320 2.993 -1.876 1.00 0.00 C ATOM 397 CG2 ILE A 27 -1.704 4.106 -2.861 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.115 1.554 -2.064 1.00 0.00 C ATOM 0 H ILE A 27 2.256 3.809 -4.011 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.360 2.595 -4.608 1.00 0.00 H new ATOM 0 HB ILE A 27 0.264 4.933 -2.775 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.409 3.031 -1.861 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.025 3.339 -0.902 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.977 4.440 -1.860 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.043 4.838 -3.594 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.176 3.145 -3.064 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.292 0.943 -1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.203 1.498 -2.047 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.253 1.185 -3.021 1.00 0.00 H new ATOM 410 N GLU A 28 -0.896 4.317 -6.346 1.00 0.00 N ATOM 411 CA GLU A 28 -1.216 5.293 -7.372 1.00 0.00 C ATOM 412 C GLU A 28 -2.656 5.767 -7.232 1.00 0.00 C ATOM 413 O GLU A 28 -3.579 4.961 -7.123 1.00 0.00 O ATOM 414 CB GLU A 28 -0.969 4.698 -8.761 1.00 0.00 C ATOM 415 CG GLU A 28 -1.286 5.647 -9.904 1.00 0.00 C ATOM 416 CD GLU A 28 -0.750 5.161 -11.233 1.00 0.00 C ATOM 417 OE1 GLU A 28 -1.406 4.308 -11.870 1.00 0.00 O ATOM 418 OE2 GLU A 28 0.327 5.633 -11.649 1.00 0.00 O ATOM 0 H GLU A 28 -1.364 3.417 -6.458 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.565 6.158 -7.247 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.075 4.393 -8.834 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.573 3.797 -8.872 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.366 5.773 -9.977 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.865 6.628 -9.684 1.00 0.00 H new ATOM 425 N ASN A 29 -2.832 7.079 -7.208 1.00 0.00 N ATOM 426 CA ASN A 29 -4.152 7.679 -7.134 1.00 0.00 C ATOM 427 C ASN A 29 -4.699 7.873 -8.537 1.00 0.00 C ATOM 428 O ASN A 29 -4.398 8.860 -9.205 1.00 0.00 O ATOM 429 CB ASN A 29 -4.087 9.014 -6.386 1.00 0.00 C ATOM 430 CG ASN A 29 -5.403 9.777 -6.391 1.00 0.00 C ATOM 431 OD1 ASN A 29 -6.487 9.198 -6.479 1.00 0.00 O ATOM 432 ND2 ASN A 29 -5.306 11.090 -6.285 1.00 0.00 N ATOM 0 H ASN A 29 -2.067 7.753 -7.239 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.820 7.017 -6.584 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.787 8.829 -5.354 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.314 9.636 -6.836 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.149 11.664 -6.274 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.388 11.530 -6.214 1.00 0.00 H new ATOM 439 N GLN A 30 -5.497 6.921 -8.978 1.00 0.00 N ATOM 440 CA GLN A 30 -6.004 6.906 -10.338 1.00 0.00 C ATOM 441 C GLN A 30 -7.359 7.601 -10.414 1.00 0.00 C ATOM 442 O GLN A 30 -8.282 7.132 -11.081 1.00 0.00 O ATOM 443 CB GLN A 30 -6.103 5.461 -10.828 1.00 0.00 C ATOM 444 CG GLN A 30 -4.792 4.701 -10.710 1.00 0.00 C ATOM 445 CD GLN A 30 -4.865 3.297 -11.278 1.00 0.00 C ATOM 446 OE1 GLN A 30 -5.923 2.668 -11.292 1.00 0.00 O ATOM 447 NE2 GLN A 30 -3.733 2.790 -11.736 1.00 0.00 N ATOM 0 H GLN A 30 -5.812 6.137 -8.406 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.316 7.452 -10.984 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.871 4.941 -10.255 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.426 5.458 -11.869 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.010 5.256 -11.228 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.503 4.647 -9.660 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.877 3.344 -11.707 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.716 1.845 -12.119 1.00 0.00 H new ATOM 456 N GLY A 31 -7.452 8.740 -9.747 1.00 0.00 N ATOM 457 CA GLY A 31 -8.673 9.517 -9.745 1.00 0.00 C ATOM 458 C GLY A 31 -8.371 10.999 -9.738 1.00 0.00 C ATOM 459 O GLY A 31 -7.341 11.421 -9.203 1.00 0.00 O ATOM 0 H GLY A 31 -6.692 9.145 -9.200 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.269 9.268 -10.623 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.271 9.260 -8.871 1.00 0.00 H new ATOM 463 N ASN A 32 -9.257 11.791 -10.325 1.00 0.00 N ATOM 464 CA ASN A 32 -8.995 13.213 -10.517 1.00 0.00 C ATOM 465 C ASN A 32 -9.357 14.024 -9.273 1.00 0.00 C ATOM 466 O ASN A 32 -10.280 14.837 -9.282 1.00 0.00 O ATOM 467 CB ASN A 32 -9.731 13.738 -11.759 1.00 0.00 C ATOM 468 CG ASN A 32 -9.356 15.171 -12.113 1.00 0.00 C ATOM 469 OD1 ASN A 32 -8.315 15.422 -12.719 1.00 0.00 O ATOM 470 ND2 ASN A 32 -10.220 16.115 -11.778 1.00 0.00 N ATOM 0 H ASN A 32 -10.161 11.476 -10.676 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.924 13.336 -10.681 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.508 13.090 -12.607 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.806 13.681 -11.588 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.033 17.088 -12.022 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.073 15.870 -11.276 1.00 0.00 H new ATOM 477 N LYS A 33 -8.660 13.733 -8.186 1.00 0.00 N ATOM 478 CA LYS A 33 -8.666 14.574 -7.004 1.00 0.00 C ATOM 479 C LYS A 33 -7.461 14.240 -6.144 1.00 0.00 C ATOM 480 O LYS A 33 -7.128 13.068 -5.967 1.00 0.00 O ATOM 481 CB LYS A 33 -9.942 14.415 -6.175 1.00 0.00 C ATOM 482 CG LYS A 33 -9.958 15.334 -4.962 1.00 0.00 C ATOM 483 CD LYS A 33 -11.201 15.153 -4.119 1.00 0.00 C ATOM 484 CE LYS A 33 -11.194 16.092 -2.922 1.00 0.00 C ATOM 485 NZ LYS A 33 -11.140 17.524 -3.334 1.00 0.00 N ATOM 0 H LYS A 33 -8.073 12.903 -8.100 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.625 15.610 -7.341 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.809 14.627 -6.801 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.033 13.380 -5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.076 15.140 -4.351 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.895 16.370 -5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.086 15.340 -4.727 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.263 14.121 -3.775 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.088 15.921 -2.322 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.337 15.865 -2.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.374 18.128 -2.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.183 17.752 -3.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.826 17.692 -4.098 1.00 0.00 H new ATOM 499 N ASP A 34 -6.804 15.263 -5.632 1.00 0.00 N ATOM 500 CA ASP A 34 -5.663 15.076 -4.750 1.00 0.00 C ATOM 501 C ASP A 34 -6.139 14.571 -3.396 1.00 0.00 C ATOM 502 O ASP A 34 -6.857 15.268 -2.680 1.00 0.00 O ATOM 503 CB ASP A 34 -4.890 16.388 -4.579 1.00 0.00 C ATOM 504 CG ASP A 34 -4.524 17.029 -5.903 1.00 0.00 C ATOM 505 OD1 ASP A 34 -3.640 16.501 -6.608 1.00 0.00 O ATOM 506 OD2 ASP A 34 -5.130 18.064 -6.251 1.00 0.00 O ATOM 0 H ASP A 34 -7.041 16.239 -5.812 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.994 14.340 -5.196 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.491 17.086 -3.996 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.981 16.197 -4.009 1.00 0.00 H new ATOM 511 N SER A 35 -5.760 13.350 -3.060 1.00 0.00 N ATOM 512 CA SER A 35 -6.168 12.747 -1.803 1.00 0.00 C ATOM 513 C SER A 35 -5.249 13.185 -0.667 1.00 0.00 C ATOM 514 O SER A 35 -4.045 13.373 -0.859 1.00 0.00 O ATOM 515 CB SER A 35 -6.180 11.226 -1.933 1.00 0.00 C ATOM 516 OG SER A 35 -4.973 10.756 -2.504 1.00 0.00 O ATOM 0 H SER A 35 -5.169 12.756 -3.641 1.00 0.00 H new ATOM 0 HA SER A 35 -7.177 13.086 -1.566 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.322 10.775 -0.951 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.023 10.917 -2.551 1.00 0.00 H new ATOM 0 HG SER A 35 -4.436 11.518 -2.806 1.00 0.00 H new ATOM 522 N THR A 36 -5.830 13.348 0.510 1.00 0.00 N ATOM 523 CA THR A 36 -5.099 13.799 1.678 1.00 0.00 C ATOM 524 C THR A 36 -4.382 12.641 2.374 1.00 0.00 C ATOM 525 O THR A 36 -4.296 11.539 1.832 1.00 0.00 O ATOM 526 CB THR A 36 -6.058 14.489 2.662 1.00 0.00 C ATOM 527 OG1 THR A 36 -7.299 13.770 2.712 1.00 0.00 O ATOM 528 CG2 THR A 36 -6.314 15.930 2.249 1.00 0.00 C ATOM 0 H THR A 36 -6.820 13.171 0.681 1.00 0.00 H new ATOM 0 HA THR A 36 -4.342 14.510 1.346 1.00 0.00 H new ATOM 0 HB THR A 36 -5.597 14.491 3.650 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.907 14.211 3.341 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.995 16.397 2.960 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.372 16.478 2.236 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.759 15.950 1.254 1.00 0.00 H new ATOM 536 N SER A 37 -3.865 12.915 3.567 1.00 0.00 N ATOM 537 CA SER A 37 -3.128 11.933 4.355 1.00 0.00 C ATOM 538 C SER A 37 -3.945 10.661 4.574 1.00 0.00 C ATOM 539 O SER A 37 -5.126 10.720 4.934 1.00 0.00 O ATOM 540 CB SER A 37 -2.740 12.554 5.701 1.00 0.00 C ATOM 541 OG SER A 37 -1.945 11.675 6.478 1.00 0.00 O ATOM 0 H SER A 37 -3.945 13.827 4.016 1.00 0.00 H new ATOM 0 HA SER A 37 -2.230 11.652 3.805 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.194 13.482 5.529 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.642 12.813 6.255 1.00 0.00 H new ATOM 0 HG SER A 37 -1.360 11.156 5.888 1.00 0.00 H new ATOM 547 N PHE A 38 -3.309 9.520 4.343 1.00 0.00 N ATOM 548 CA PHE A 38 -3.948 8.225 4.534 1.00 0.00 C ATOM 549 C PHE A 38 -2.933 7.217 5.069 1.00 0.00 C ATOM 550 O PHE A 38 -1.725 7.407 4.923 1.00 0.00 O ATOM 551 CB PHE A 38 -4.565 7.724 3.221 1.00 0.00 C ATOM 552 CG PHE A 38 -3.569 7.495 2.118 1.00 0.00 C ATOM 553 CD1 PHE A 38 -2.938 6.271 1.988 1.00 0.00 C ATOM 554 CD2 PHE A 38 -3.266 8.499 1.212 1.00 0.00 C ATOM 555 CE1 PHE A 38 -2.022 6.053 0.981 1.00 0.00 C ATOM 556 CE2 PHE A 38 -2.347 8.283 0.201 1.00 0.00 C ATOM 557 CZ PHE A 38 -1.725 7.055 0.088 1.00 0.00 C ATOM 0 H PHE A 38 -2.343 9.466 4.020 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.751 8.337 5.263 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.096 6.792 3.415 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.306 8.448 2.882 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.166 5.477 2.684 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.752 9.460 1.296 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.536 5.092 0.893 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.116 9.073 -0.498 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.007 6.882 -0.700 1.00 0.00 H new ATOM 567 N ASN A 39 -3.418 6.151 5.684 1.00 0.00 N ATOM 568 CA ASN A 39 -2.547 5.167 6.317 1.00 0.00 C ATOM 569 C ASN A 39 -2.531 3.858 5.535 1.00 0.00 C ATOM 570 O ASN A 39 -3.507 3.120 5.540 1.00 0.00 O ATOM 571 CB ASN A 39 -3.022 4.892 7.747 1.00 0.00 C ATOM 572 CG ASN A 39 -3.178 6.157 8.570 1.00 0.00 C ATOM 573 OD1 ASN A 39 -2.234 6.611 9.225 1.00 0.00 O ATOM 574 ND2 ASN A 39 -4.369 6.743 8.538 1.00 0.00 N ATOM 0 H ASN A 39 -4.413 5.942 5.760 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.537 5.576 6.332 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.976 4.367 7.713 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.311 4.229 8.240 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.530 7.600 9.067 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.123 6.336 7.984 1.00 0.00 H new ATOM 581 N VAL A 40 -1.415 3.542 4.900 1.00 0.00 N ATOM 582 CA VAL A 40 -1.319 2.314 4.123 1.00 0.00 C ATOM 583 C VAL A 40 -0.629 1.233 4.944 1.00 0.00 C ATOM 584 O VAL A 40 0.466 1.431 5.469 1.00 0.00 O ATOM 585 CB VAL A 40 -0.589 2.548 2.771 1.00 0.00 C ATOM 586 CG1 VAL A 40 0.253 1.347 2.366 1.00 0.00 C ATOM 587 CG2 VAL A 40 -1.600 2.836 1.686 1.00 0.00 C ATOM 0 H VAL A 40 -0.569 4.112 4.905 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.329 1.980 3.884 1.00 0.00 H new ATOM 0 HB VAL A 40 0.077 3.401 2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.746 1.552 1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.005 1.155 3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.388 0.472 2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.083 2.999 0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.279 1.989 1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.169 3.728 1.947 1.00 0.00 H new ATOM 597 N SER A 41 -1.305 0.102 5.080 1.00 0.00 N ATOM 598 CA SER A 41 -0.830 -0.973 5.931 1.00 0.00 C ATOM 599 C SER A 41 -0.620 -2.250 5.132 1.00 0.00 C ATOM 600 O SER A 41 -1.327 -2.508 4.154 1.00 0.00 O ATOM 601 CB SER A 41 -1.836 -1.224 7.053 1.00 0.00 C ATOM 602 OG SER A 41 -2.124 -0.024 7.749 1.00 0.00 O ATOM 0 H SER A 41 -2.188 -0.093 4.609 1.00 0.00 H new ATOM 0 HA SER A 41 0.128 -0.676 6.357 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.755 -1.638 6.638 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.437 -1.965 7.746 1.00 0.00 H new ATOM 0 HG SER A 41 -2.771 -0.207 8.462 1.00 0.00 H new ATOM 608 N LEU A 42 0.354 -3.041 5.553 1.00 0.00 N ATOM 609 CA LEU A 42 0.622 -4.319 4.921 1.00 0.00 C ATOM 610 C LEU A 42 0.056 -5.445 5.775 1.00 0.00 C ATOM 611 O LEU A 42 0.462 -5.632 6.927 1.00 0.00 O ATOM 612 CB LEU A 42 2.125 -4.517 4.721 1.00 0.00 C ATOM 613 CG LEU A 42 2.518 -5.786 3.964 1.00 0.00 C ATOM 614 CD1 LEU A 42 1.956 -5.763 2.552 1.00 0.00 C ATOM 615 CD2 LEU A 42 4.028 -5.939 3.934 1.00 0.00 C ATOM 0 H LEU A 42 0.973 -2.818 6.332 1.00 0.00 H new ATOM 0 HA LEU A 42 0.140 -4.332 3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.521 -3.655 4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.607 -4.532 5.699 1.00 0.00 H new ATOM 0 HG LEU A 42 2.094 -6.643 4.487 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.247 -6.675 2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.869 -5.700 2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.349 -4.898 2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.291 -6.847 3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.471 -5.077 3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.408 -6.003 4.954 1.00 0.00 H new ATOM 627 N LEU A 43 -0.894 -6.174 5.218 1.00 0.00 N ATOM 628 CA LEU A 43 -1.510 -7.284 5.919 1.00 0.00 C ATOM 629 C LEU A 43 -0.904 -8.595 5.442 1.00 0.00 C ATOM 630 O LEU A 43 -0.863 -8.863 4.245 1.00 0.00 O ATOM 631 CB LEU A 43 -3.030 -7.305 5.701 1.00 0.00 C ATOM 632 CG LEU A 43 -3.787 -6.052 6.155 1.00 0.00 C ATOM 633 CD1 LEU A 43 -3.725 -4.957 5.103 1.00 0.00 C ATOM 634 CD2 LEU A 43 -5.231 -6.394 6.484 1.00 0.00 C ATOM 0 H LEU A 43 -1.256 -6.016 4.278 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.321 -7.159 6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.224 -7.459 4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.442 -8.166 6.228 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.302 -5.676 7.056 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.271 -4.082 5.456 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.685 -4.686 4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.174 -5.316 4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.754 -5.493 6.805 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.719 -6.802 5.599 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.257 -7.133 7.285 1.00 0.00 H new ATOM 646 N VAL A 44 -0.427 -9.400 6.377 1.00 0.00 N ATOM 647 CA VAL A 44 0.164 -10.686 6.048 1.00 0.00 C ATOM 648 C VAL A 44 -0.784 -11.812 6.428 1.00 0.00 C ATOM 649 O VAL A 44 -0.953 -12.124 7.609 1.00 0.00 O ATOM 650 CB VAL A 44 1.524 -10.895 6.752 1.00 0.00 C ATOM 651 CG1 VAL A 44 2.103 -12.264 6.419 1.00 0.00 C ATOM 652 CG2 VAL A 44 2.499 -9.800 6.356 1.00 0.00 C ATOM 0 H VAL A 44 -0.438 -9.184 7.374 1.00 0.00 H new ATOM 0 HA VAL A 44 0.338 -10.697 4.972 1.00 0.00 H new ATOM 0 HB VAL A 44 1.360 -10.846 7.829 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.060 -12.387 6.926 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.414 -13.041 6.750 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.250 -12.345 5.342 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.452 -9.961 6.860 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.651 -9.821 5.277 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.095 -8.830 6.646 1.00 0.00 H new ATOM 662 N ASP A 45 -1.443 -12.367 5.416 1.00 0.00 N ATOM 663 CA ASP A 45 -2.344 -13.509 5.577 1.00 0.00 C ATOM 664 C ASP A 45 -3.535 -13.179 6.474 1.00 0.00 C ATOM 665 O ASP A 45 -4.269 -14.072 6.897 1.00 0.00 O ATOM 666 CB ASP A 45 -1.589 -14.733 6.115 1.00 0.00 C ATOM 667 CG ASP A 45 -0.674 -15.351 5.076 1.00 0.00 C ATOM 668 OD1 ASP A 45 -1.146 -16.200 4.294 1.00 0.00 O ATOM 669 OD2 ASP A 45 0.518 -14.989 5.025 1.00 0.00 O ATOM 0 H ASP A 45 -1.368 -12.037 4.454 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.735 -13.747 4.588 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.001 -14.440 6.985 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.307 -15.480 6.453 1.00 0.00 H new ATOM 674 N GLY A 46 -3.737 -11.895 6.747 1.00 0.00 N ATOM 675 CA GLY A 46 -4.882 -11.479 7.530 1.00 0.00 C ATOM 676 C GLY A 46 -4.555 -10.400 8.545 1.00 0.00 C ATOM 677 O GLY A 46 -5.344 -9.480 8.752 1.00 0.00 O ATOM 0 H GLY A 46 -3.128 -11.136 6.440 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.659 -11.113 6.859 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.292 -12.345 8.050 1.00 0.00 H new ATOM 681 N ILE A 47 -3.389 -10.501 9.169 1.00 0.00 N ATOM 682 CA ILE A 47 -3.020 -9.582 10.243 1.00 0.00 C ATOM 683 C ILE A 47 -2.124 -8.468 9.710 1.00 0.00 C ATOM 684 O ILE A 47 -1.377 -8.665 8.754 1.00 0.00 O ATOM 685 CB ILE A 47 -2.280 -10.311 11.384 1.00 0.00 C ATOM 686 CG1 ILE A 47 -2.928 -11.674 11.660 1.00 0.00 C ATOM 687 CG2 ILE A 47 -2.282 -9.463 12.650 1.00 0.00 C ATOM 688 CD1 ILE A 47 -2.196 -12.502 12.695 1.00 0.00 C ATOM 0 H ILE A 47 -2.684 -11.206 8.953 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.945 -9.160 10.635 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.247 -10.472 11.074 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.954 -11.517 11.994 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.979 -12.237 10.728 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.756 -9.993 13.444 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.782 -8.515 12.453 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.310 -9.274 12.960 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.714 -13.451 12.835 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.178 -12.692 12.355 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.168 -11.961 13.641 1.00 0.00 H new ATOM 700 N VAL A 48 -2.195 -7.307 10.338 1.00 0.00 N ATOM 701 CA VAL A 48 -1.398 -6.161 9.927 1.00 0.00 C ATOM 702 C VAL A 48 -0.041 -6.201 10.615 1.00 0.00 C ATOM 703 O VAL A 48 0.035 -6.325 11.836 1.00 0.00 O ATOM 704 CB VAL A 48 -2.095 -4.826 10.275 1.00 0.00 C ATOM 705 CG1 VAL A 48 -1.269 -3.642 9.794 1.00 0.00 C ATOM 706 CG2 VAL A 48 -3.495 -4.775 9.684 1.00 0.00 C ATOM 0 H VAL A 48 -2.800 -7.131 11.140 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.277 -6.217 8.845 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.180 -4.765 11.360 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.780 -2.714 10.050 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.291 -3.662 10.274 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.144 -3.701 8.713 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.965 -3.826 9.943 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.436 -4.867 8.599 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.090 -5.596 10.086 1.00 0.00 H new ATOM 716 N VAL A 49 1.028 -6.112 9.837 1.00 0.00 N ATOM 717 CA VAL A 49 2.371 -6.134 10.403 1.00 0.00 C ATOM 718 C VAL A 49 2.960 -4.732 10.522 1.00 0.00 C ATOM 719 O VAL A 49 3.612 -4.414 11.518 1.00 0.00 O ATOM 720 CB VAL A 49 3.334 -7.036 9.597 1.00 0.00 C ATOM 721 CG1 VAL A 49 2.934 -8.497 9.740 1.00 0.00 C ATOM 722 CG2 VAL A 49 3.373 -6.633 8.128 1.00 0.00 C ATOM 0 H VAL A 49 0.994 -6.025 8.821 1.00 0.00 H new ATOM 0 HA VAL A 49 2.266 -6.556 11.403 1.00 0.00 H new ATOM 0 HB VAL A 49 4.337 -6.905 10.004 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.621 -9.120 9.167 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.974 -8.784 10.791 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.920 -8.635 9.365 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.059 -7.287 7.589 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.375 -6.723 7.699 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.713 -5.601 8.043 1.00 0.00 H new ATOM 732 N ASP A 50 2.716 -3.888 9.526 1.00 0.00 N ATOM 733 CA ASP A 50 3.304 -2.553 9.506 1.00 0.00 C ATOM 734 C ASP A 50 2.388 -1.565 8.793 1.00 0.00 C ATOM 735 O ASP A 50 1.644 -1.939 7.882 1.00 0.00 O ATOM 736 CB ASP A 50 4.681 -2.587 8.830 1.00 0.00 C ATOM 737 CG ASP A 50 5.415 -1.262 8.928 1.00 0.00 C ATOM 738 OD1 ASP A 50 5.319 -0.602 9.983 1.00 0.00 O ATOM 739 OD2 ASP A 50 6.109 -0.886 7.964 1.00 0.00 O ATOM 0 H ASP A 50 2.119 -4.102 8.727 1.00 0.00 H new ATOM 0 HA ASP A 50 3.427 -2.220 10.537 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.287 -3.368 9.289 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.559 -2.853 7.780 1.00 0.00 H new ATOM 744 N THR A 51 2.448 -0.310 9.217 1.00 0.00 N ATOM 745 CA THR A 51 1.607 0.741 8.663 1.00 0.00 C ATOM 746 C THR A 51 2.436 1.991 8.368 1.00 0.00 C ATOM 747 O THR A 51 3.162 2.482 9.235 1.00 0.00 O ATOM 748 CB THR A 51 0.472 1.106 9.645 1.00 0.00 C ATOM 749 OG1 THR A 51 -0.349 -0.044 9.895 1.00 0.00 O ATOM 750 CG2 THR A 51 -0.388 2.242 9.102 1.00 0.00 C ATOM 0 H THR A 51 3.079 0.007 9.953 1.00 0.00 H new ATOM 0 HA THR A 51 1.173 0.367 7.736 1.00 0.00 H new ATOM 0 HB THR A 51 0.929 1.439 10.577 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.059 -0.092 9.221 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.177 2.474 9.817 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.232 3.125 8.946 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.834 1.940 8.155 1.00 0.00 H new ATOM 758 N GLN A 52 2.329 2.504 7.151 1.00 0.00 N ATOM 759 CA GLN A 52 3.035 3.721 6.782 1.00 0.00 C ATOM 760 C GLN A 52 2.033 4.798 6.387 1.00 0.00 C ATOM 761 O GLN A 52 1.246 4.619 5.456 1.00 0.00 O ATOM 762 CB GLN A 52 4.012 3.458 5.632 1.00 0.00 C ATOM 763 CG GLN A 52 5.055 4.555 5.459 1.00 0.00 C ATOM 764 CD GLN A 52 5.021 5.201 4.086 1.00 0.00 C ATOM 765 OE1 GLN A 52 5.683 4.745 3.156 1.00 0.00 O ATOM 766 NE2 GLN A 52 4.267 6.281 3.954 1.00 0.00 N ATOM 0 H GLN A 52 1.763 2.098 6.406 1.00 0.00 H new ATOM 0 HA GLN A 52 3.610 4.064 7.642 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.519 2.509 5.806 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.449 3.353 4.704 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.896 5.321 6.218 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.046 4.136 5.632 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.732 6.630 4.749 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.221 6.765 3.057 1.00 0.00 H new ATOM 775 N THR A 53 2.047 5.898 7.117 1.00 0.00 N ATOM 776 CA THR A 53 1.159 7.009 6.831 1.00 0.00 C ATOM 777 C THR A 53 1.720 7.858 5.694 1.00 0.00 C ATOM 778 O THR A 53 2.875 8.282 5.735 1.00 0.00 O ATOM 779 CB THR A 53 0.959 7.884 8.084 1.00 0.00 C ATOM 780 OG1 THR A 53 0.577 7.057 9.195 1.00 0.00 O ATOM 781 CG2 THR A 53 -0.107 8.944 7.845 1.00 0.00 C ATOM 0 H THR A 53 2.665 6.046 7.915 1.00 0.00 H new ATOM 0 HA THR A 53 0.194 6.602 6.530 1.00 0.00 H new ATOM 0 HB THR A 53 1.900 8.387 8.305 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.393 6.920 9.183 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.228 9.547 8.745 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.196 9.584 7.017 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.053 8.460 7.602 1.00 0.00 H new ATOM 789 N VAL A 54 0.909 8.074 4.673 1.00 0.00 N ATOM 790 CA VAL A 54 1.304 8.893 3.539 1.00 0.00 C ATOM 791 C VAL A 54 0.778 10.308 3.729 1.00 0.00 C ATOM 792 O VAL A 54 -0.405 10.496 4.004 1.00 0.00 O ATOM 793 CB VAL A 54 0.769 8.311 2.214 1.00 0.00 C ATOM 794 CG1 VAL A 54 1.247 9.132 1.023 1.00 0.00 C ATOM 795 CG2 VAL A 54 1.182 6.852 2.065 1.00 0.00 C ATOM 0 H VAL A 54 -0.034 7.691 4.606 1.00 0.00 H new ATOM 0 HA VAL A 54 2.393 8.905 3.487 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.320 8.359 2.238 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.855 8.700 0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.892 10.158 1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.337 9.127 0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.796 6.459 1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.270 6.779 2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.777 6.273 2.894 1.00 0.00 H new ATOM 805 N THR A 55 1.661 11.291 3.591 1.00 0.00 N ATOM 806 CA THR A 55 1.313 12.689 3.806 1.00 0.00 C ATOM 807 C THR A 55 0.149 13.130 2.922 1.00 0.00 C ATOM 808 O THR A 55 -0.767 13.818 3.379 1.00 0.00 O ATOM 809 CB THR A 55 2.532 13.585 3.537 1.00 0.00 C ATOM 810 OG1 THR A 55 3.254 13.095 2.396 1.00 0.00 O ATOM 811 CG2 THR A 55 3.452 13.628 4.748 1.00 0.00 C ATOM 0 H THR A 55 2.635 11.141 3.328 1.00 0.00 H new ATOM 0 HA THR A 55 1.002 12.790 4.846 1.00 0.00 H new ATOM 0 HB THR A 55 2.178 14.596 3.338 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.029 13.670 2.228 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.307 14.269 4.533 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.908 14.025 5.605 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.801 12.621 4.976 1.00 0.00 H new ATOM 819 N SER A 56 0.198 12.726 1.664 1.00 0.00 N ATOM 820 CA SER A 56 -0.838 13.043 0.697 1.00 0.00 C ATOM 821 C SER A 56 -0.502 12.392 -0.634 1.00 0.00 C ATOM 822 O SER A 56 0.663 12.106 -0.911 1.00 0.00 O ATOM 823 CB SER A 56 -0.977 14.562 0.527 1.00 0.00 C ATOM 824 OG SER A 56 0.283 15.176 0.307 1.00 0.00 O ATOM 0 H SER A 56 0.961 12.166 1.283 1.00 0.00 H new ATOM 0 HA SER A 56 -1.790 12.656 1.059 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.639 14.777 -0.312 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.441 14.988 1.417 1.00 0.00 H new ATOM 0 HG SER A 56 0.162 16.143 0.201 1.00 0.00 H new ATOM 830 N LEU A 57 -1.512 12.141 -1.447 1.00 0.00 N ATOM 831 CA LEU A 57 -1.291 11.573 -2.761 1.00 0.00 C ATOM 832 C LEU A 57 -2.038 12.386 -3.805 1.00 0.00 C ATOM 833 O LEU A 57 -3.270 12.373 -3.860 1.00 0.00 O ATOM 834 CB LEU A 57 -1.718 10.102 -2.799 1.00 0.00 C ATOM 835 CG LEU A 57 -1.413 9.366 -4.106 1.00 0.00 C ATOM 836 CD1 LEU A 57 0.023 9.609 -4.538 1.00 0.00 C ATOM 837 CD2 LEU A 57 -1.663 7.876 -3.945 1.00 0.00 C ATOM 0 H LEU A 57 -2.490 12.321 -1.220 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.225 11.611 -2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.225 9.576 -1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.790 10.047 -2.612 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.077 9.754 -4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.218 9.077 -5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.181 10.677 -4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.702 9.248 -3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.442 7.367 -4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.020 7.482 -3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.707 7.709 -3.679 1.00 0.00 H new ATOM 849 N GLU A 58 -1.279 13.110 -4.611 1.00 0.00 N ATOM 850 CA GLU A 58 -1.842 14.003 -5.609 1.00 0.00 C ATOM 851 C GLU A 58 -2.630 13.233 -6.664 1.00 0.00 C ATOM 852 O GLU A 58 -2.466 12.022 -6.828 1.00 0.00 O ATOM 853 CB GLU A 58 -0.729 14.809 -6.278 1.00 0.00 C ATOM 854 CG GLU A 58 0.155 15.551 -5.294 1.00 0.00 C ATOM 855 CD GLU A 58 1.210 16.383 -5.985 1.00 0.00 C ATOM 856 OE1 GLU A 58 2.288 15.840 -6.306 1.00 0.00 O ATOM 857 OE2 GLU A 58 0.964 17.587 -6.208 1.00 0.00 O ATOM 0 H GLU A 58 -0.259 13.095 -4.592 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.528 14.681 -5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.112 14.136 -6.873 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.175 15.527 -6.967 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.463 16.197 -4.670 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.638 14.834 -4.631 1.00 0.00 H new ATOM 864 N SER A 59 -3.488 13.949 -7.367 1.00 0.00 N ATOM 865 CA SER A 59 -4.315 13.369 -8.412 1.00 0.00 C ATOM 866 C SER A 59 -3.456 12.792 -9.538 1.00 0.00 C ATOM 867 O SER A 59 -2.591 13.480 -10.082 1.00 0.00 O ATOM 868 CB SER A 59 -5.272 14.437 -8.946 1.00 0.00 C ATOM 869 OG SER A 59 -4.605 15.684 -9.099 1.00 0.00 O ATOM 0 H SER A 59 -3.632 14.949 -7.230 1.00 0.00 H new ATOM 0 HA SER A 59 -4.893 12.546 -7.993 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.681 14.118 -9.905 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.114 14.551 -8.263 1.00 0.00 H new ATOM 0 HG SER A 59 -5.235 16.352 -9.443 1.00 0.00 H new ATOM 875 N GLU A 60 -3.686 11.516 -9.848 1.00 0.00 N ATOM 876 CA GLU A 60 -2.950 10.801 -10.895 1.00 0.00 C ATOM 877 C GLU A 60 -1.455 10.736 -10.582 1.00 0.00 C ATOM 878 O GLU A 60 -0.615 10.798 -11.480 1.00 0.00 O ATOM 879 CB GLU A 60 -3.188 11.437 -12.266 1.00 0.00 C ATOM 880 CG GLU A 60 -4.649 11.443 -12.686 1.00 0.00 C ATOM 881 CD GLU A 60 -4.828 11.803 -14.143 1.00 0.00 C ATOM 882 OE1 GLU A 60 -4.437 12.920 -14.537 1.00 0.00 O ATOM 883 OE2 GLU A 60 -5.342 10.959 -14.909 1.00 0.00 O ATOM 0 H GLU A 60 -4.390 10.946 -9.379 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.330 9.780 -10.922 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.818 12.462 -12.251 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.605 10.899 -13.014 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.081 10.459 -12.502 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.199 12.154 -12.069 1.00 0.00 H new ATOM 890 N ASN A 61 -1.134 10.599 -9.304 1.00 0.00 N ATOM 891 CA ASN A 61 0.248 10.458 -8.863 1.00 0.00 C ATOM 892 C ASN A 61 0.423 9.151 -8.109 1.00 0.00 C ATOM 893 O ASN A 61 -0.556 8.555 -7.660 1.00 0.00 O ATOM 894 CB ASN A 61 0.659 11.636 -7.976 1.00 0.00 C ATOM 895 CG ASN A 61 1.063 12.858 -8.777 1.00 0.00 C ATOM 896 OD1 ASN A 61 2.246 13.092 -9.016 1.00 0.00 O ATOM 897 ND2 ASN A 61 0.085 13.631 -9.218 1.00 0.00 N ATOM 0 H ASN A 61 -1.818 10.582 -8.547 1.00 0.00 H new ATOM 0 HA ASN A 61 0.891 10.451 -9.743 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.170 11.896 -7.317 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.490 11.333 -7.339 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.300 14.456 -9.778 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.884 13.402 -8.998 1.00 0.00 H new ATOM 904 N SER A 62 1.662 8.707 -7.966 1.00 0.00 N ATOM 905 CA SER A 62 1.942 7.449 -7.292 1.00 0.00 C ATOM 906 C SER A 62 3.066 7.599 -6.269 1.00 0.00 C ATOM 907 O SER A 62 4.143 8.106 -6.580 1.00 0.00 O ATOM 908 CB SER A 62 2.295 6.379 -8.328 1.00 0.00 C ATOM 909 OG SER A 62 3.124 6.914 -9.349 1.00 0.00 O ATOM 0 H SER A 62 2.488 9.198 -8.307 1.00 0.00 H new ATOM 0 HA SER A 62 1.048 7.144 -6.749 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.804 5.548 -7.839 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.382 5.979 -8.768 1.00 0.00 H new ATOM 0 HG SER A 62 3.338 6.212 -9.998 1.00 0.00 H new ATOM 915 N THR A 63 2.800 7.163 -5.046 1.00 0.00 N ATOM 916 CA THR A 63 3.793 7.195 -3.981 1.00 0.00 C ATOM 917 C THR A 63 4.348 5.802 -3.730 1.00 0.00 C ATOM 918 O THR A 63 3.671 4.808 -3.981 1.00 0.00 O ATOM 919 CB THR A 63 3.190 7.728 -2.668 1.00 0.00 C ATOM 920 OG1 THR A 63 1.938 7.079 -2.404 1.00 0.00 O ATOM 921 CG2 THR A 63 2.985 9.229 -2.731 1.00 0.00 C ATOM 0 H THR A 63 1.897 6.780 -4.765 1.00 0.00 H new ATOM 0 HA THR A 63 4.592 7.863 -4.304 1.00 0.00 H new ATOM 0 HB THR A 63 3.890 7.510 -1.861 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.562 7.422 -1.567 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.558 9.578 -1.791 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.943 9.720 -2.899 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.306 9.469 -3.549 1.00 0.00 H new ATOM 929 N ASN A 64 5.568 5.732 -3.233 1.00 0.00 N ATOM 930 CA ASN A 64 6.172 4.457 -2.893 1.00 0.00 C ATOM 931 C ASN A 64 6.154 4.285 -1.382 1.00 0.00 C ATOM 932 O ASN A 64 6.638 5.147 -0.648 1.00 0.00 O ATOM 933 CB ASN A 64 7.607 4.368 -3.425 1.00 0.00 C ATOM 934 CG ASN A 64 7.680 4.507 -4.937 1.00 0.00 C ATOM 935 OD1 ASN A 64 7.837 5.611 -5.461 1.00 0.00 O ATOM 936 ND2 ASN A 64 7.562 3.395 -5.648 1.00 0.00 N ATOM 0 H ASN A 64 6.161 6.543 -3.055 1.00 0.00 H new ATOM 0 HA ASN A 64 5.597 3.657 -3.359 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.211 5.149 -2.963 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.041 3.413 -3.130 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.600 3.434 -6.667 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.433 2.500 -5.177 1.00 0.00 H new ATOM 943 N VAL A 65 5.584 3.188 -0.920 1.00 0.00 N ATOM 944 CA VAL A 65 5.412 2.963 0.506 1.00 0.00 C ATOM 945 C VAL A 65 6.541 2.113 1.062 1.00 0.00 C ATOM 946 O VAL A 65 6.852 1.041 0.536 1.00 0.00 O ATOM 947 CB VAL A 65 4.059 2.286 0.813 1.00 0.00 C ATOM 948 CG1 VAL A 65 3.888 2.063 2.309 1.00 0.00 C ATOM 949 CG2 VAL A 65 2.914 3.120 0.268 1.00 0.00 C ATOM 0 H VAL A 65 5.231 2.436 -1.512 1.00 0.00 H new ATOM 0 HA VAL A 65 5.429 3.941 0.988 1.00 0.00 H new ATOM 0 HB VAL A 65 4.048 1.313 0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.927 1.585 2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.690 1.423 2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.924 3.022 2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.967 2.629 0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.930 4.107 0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.021 3.224 -0.812 1.00 0.00 H new ATOM 959 N ASP A 66 7.142 2.611 2.130 1.00 0.00 N ATOM 960 CA ASP A 66 8.282 1.970 2.763 1.00 0.00 C ATOM 961 C ASP A 66 7.822 1.100 3.930 1.00 0.00 C ATOM 962 O ASP A 66 7.578 1.599 5.030 1.00 0.00 O ATOM 963 CB ASP A 66 9.254 3.053 3.245 1.00 0.00 C ATOM 964 CG ASP A 66 10.510 2.506 3.890 1.00 0.00 C ATOM 965 OD1 ASP A 66 11.386 2.003 3.160 1.00 0.00 O ATOM 966 OD2 ASP A 66 10.650 2.615 5.127 1.00 0.00 O ATOM 0 H ASP A 66 6.851 3.476 2.585 1.00 0.00 H new ATOM 0 HA ASP A 66 8.787 1.324 2.044 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.535 3.678 2.398 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.741 3.696 3.960 1.00 0.00 H new ATOM 971 N PHE A 67 7.674 -0.194 3.678 1.00 0.00 N ATOM 972 CA PHE A 67 7.241 -1.128 4.709 1.00 0.00 C ATOM 973 C PHE A 67 8.425 -1.750 5.427 1.00 0.00 C ATOM 974 O PHE A 67 9.479 -1.982 4.836 1.00 0.00 O ATOM 975 CB PHE A 67 6.378 -2.242 4.119 1.00 0.00 C ATOM 976 CG PHE A 67 4.982 -1.825 3.765 1.00 0.00 C ATOM 977 CD1 PHE A 67 4.165 -1.225 4.709 1.00 0.00 C ATOM 978 CD2 PHE A 67 4.482 -2.050 2.493 1.00 0.00 C ATOM 979 CE1 PHE A 67 2.874 -0.853 4.388 1.00 0.00 C ATOM 980 CE2 PHE A 67 3.191 -1.685 2.168 1.00 0.00 C ATOM 981 CZ PHE A 67 2.386 -1.086 3.117 1.00 0.00 C ATOM 0 H PHE A 67 7.848 -0.621 2.768 1.00 0.00 H new ATOM 0 HA PHE A 67 6.651 -0.555 5.424 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.867 -2.628 3.224 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.328 -3.063 4.834 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.541 -1.046 5.706 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.109 -2.516 1.747 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.247 -0.381 5.130 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.811 -1.867 1.174 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.375 -0.800 2.865 1.00 0.00 H new ATOM 991 N HIS A 68 8.225 -2.028 6.702 1.00 0.00 N ATOM 992 CA HIS A 68 9.245 -2.642 7.536 1.00 0.00 C ATOM 993 C HIS A 68 8.769 -4.025 7.967 1.00 0.00 C ATOM 994 O HIS A 68 7.985 -4.149 8.909 1.00 0.00 O ATOM 995 CB HIS A 68 9.506 -1.776 8.777 1.00 0.00 C ATOM 996 CG HIS A 68 9.552 -0.302 8.497 1.00 0.00 C ATOM 997 ND1 HIS A 68 8.418 0.462 8.309 1.00 0.00 N ATOM 998 CD2 HIS A 68 10.597 0.549 8.378 1.00 0.00 C ATOM 999 CE1 HIS A 68 8.762 1.715 8.090 1.00 0.00 C ATOM 1000 NE2 HIS A 68 10.078 1.795 8.127 1.00 0.00 N ATOM 0 H HIS A 68 7.351 -1.835 7.190 1.00 0.00 H new ATOM 0 HA HIS A 68 10.171 -2.729 6.968 1.00 0.00 H new ATOM 0 HB2 HIS A 68 8.726 -1.971 9.513 1.00 0.00 H new ATOM 0 HB3 HIS A 68 10.452 -2.079 9.226 1.00 0.00 H new ATOM 0 HD1 HIS A 68 7.461 0.111 8.336 1.00 0.00 H new ATOM 0 HD2 HIS A 68 11.643 0.296 8.464 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.083 2.536 7.911 1.00 0.00 H new ATOM 1009 N TRP A 69 9.219 -5.060 7.276 1.00 0.00 N ATOM 1010 CA TRP A 69 8.720 -6.402 7.536 1.00 0.00 C ATOM 1011 C TRP A 69 9.850 -7.356 7.894 1.00 0.00 C ATOM 1012 O TRP A 69 10.792 -7.535 7.131 1.00 0.00 O ATOM 1013 CB TRP A 69 7.945 -6.933 6.326 1.00 0.00 C ATOM 1014 CG TRP A 69 7.317 -8.271 6.572 1.00 0.00 C ATOM 1015 CD1 TRP A 69 6.815 -8.723 7.757 1.00 0.00 C ATOM 1016 CD2 TRP A 69 7.116 -9.325 5.622 1.00 0.00 C ATOM 1017 NE1 TRP A 69 6.323 -9.997 7.609 1.00 0.00 N ATOM 1018 CE2 TRP A 69 6.494 -10.388 6.306 1.00 0.00 C ATOM 1019 CE3 TRP A 69 7.406 -9.480 4.262 1.00 0.00 C ATOM 1020 CZ2 TRP A 69 6.155 -11.583 5.676 1.00 0.00 C ATOM 1021 CZ3 TRP A 69 7.066 -10.666 3.640 1.00 0.00 C ATOM 1022 CH2 TRP A 69 6.449 -11.704 4.346 1.00 0.00 C ATOM 0 H TRP A 69 9.921 -4.999 6.539 1.00 0.00 H new ATOM 0 HA TRP A 69 8.045 -6.342 8.390 1.00 0.00 H new ATOM 0 HB2 TRP A 69 7.168 -6.217 6.057 1.00 0.00 H new ATOM 0 HB3 TRP A 69 8.620 -7.006 5.473 1.00 0.00 H new ATOM 0 HD1 TRP A 69 6.806 -8.160 8.679 1.00 0.00 H new ATOM 0 HE1 TRP A 69 5.900 -10.560 8.347 1.00 0.00 H new ATOM 0 HE3 TRP A 69 7.887 -8.687 3.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 5.677 -12.385 6.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 7.281 -10.794 2.589 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.200 -12.620 3.830 1.00 0.00 H new ATOM 1033 N THR A 70 9.750 -7.961 9.065 1.00 0.00 N ATOM 1034 CA THR A 70 10.732 -8.931 9.505 1.00 0.00 C ATOM 1035 C THR A 70 10.161 -10.340 9.410 1.00 0.00 C ATOM 1036 O THR A 70 8.979 -10.563 9.684 1.00 0.00 O ATOM 1037 CB THR A 70 11.195 -8.654 10.953 1.00 0.00 C ATOM 1038 OG1 THR A 70 12.158 -9.633 11.360 1.00 0.00 O ATOM 1039 CG2 THR A 70 10.020 -8.654 11.922 1.00 0.00 C ATOM 0 H THR A 70 8.994 -7.795 9.729 1.00 0.00 H new ATOM 0 HA THR A 70 11.598 -8.843 8.849 1.00 0.00 H new ATOM 0 HB THR A 70 11.652 -7.665 10.972 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.446 -9.447 12.278 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.381 -8.456 12.931 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.310 -7.880 11.632 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.528 -9.626 11.897 1.00 0.00 H new ATOM 1047 N LEU A 71 10.989 -11.286 9.001 1.00 0.00 N ATOM 1048 CA LEU A 71 10.568 -12.673 8.951 1.00 0.00 C ATOM 1049 C LEU A 71 11.090 -13.443 10.146 1.00 0.00 C ATOM 1050 O LEU A 71 12.299 -13.566 10.345 1.00 0.00 O ATOM 1051 CB LEU A 71 11.032 -13.365 7.676 1.00 0.00 C ATOM 1052 CG LEU A 71 10.024 -13.403 6.530 1.00 0.00 C ATOM 1053 CD1 LEU A 71 8.665 -13.882 7.018 1.00 0.00 C ATOM 1054 CD2 LEU A 71 9.916 -12.046 5.866 1.00 0.00 C ATOM 0 H LEU A 71 11.950 -11.120 8.701 1.00 0.00 H new ATOM 0 HA LEU A 71 9.478 -12.665 8.967 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.935 -12.866 7.323 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.310 -14.390 7.923 1.00 0.00 H new ATOM 0 HG LEU A 71 10.382 -14.115 5.786 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.964 -13.900 6.183 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.761 -14.885 7.434 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.295 -13.204 7.787 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.192 -12.096 5.052 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.589 -11.308 6.598 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.889 -11.757 5.469 1.00 0.00 H new ATOM 1066 N ASP A 72 10.163 -13.968 10.921 1.00 0.00 N ATOM 1067 CA ASP A 72 10.499 -14.795 12.072 1.00 0.00 C ATOM 1068 C ASP A 72 10.724 -16.236 11.632 1.00 0.00 C ATOM 1069 O ASP A 72 11.461 -16.994 12.269 1.00 0.00 O ATOM 1070 CB ASP A 72 9.379 -14.725 13.114 1.00 0.00 C ATOM 1071 CG ASP A 72 9.486 -15.817 14.159 1.00 0.00 C ATOM 1072 OD1 ASP A 72 10.453 -15.800 14.951 1.00 0.00 O ATOM 1073 OD2 ASP A 72 8.601 -16.699 14.188 1.00 0.00 O ATOM 0 H ASP A 72 9.162 -13.838 10.776 1.00 0.00 H new ATOM 0 HA ASP A 72 11.418 -14.420 12.522 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.406 -13.753 13.606 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.415 -14.802 12.611 1.00 0.00 H new ATOM 1078 N GLY A 73 10.110 -16.597 10.517 1.00 0.00 N ATOM 1079 CA GLY A 73 10.209 -17.951 10.022 1.00 0.00 C ATOM 1080 C GLY A 73 10.033 -18.016 8.525 1.00 0.00 C ATOM 1081 O GLY A 73 10.280 -17.032 7.825 1.00 0.00 O ATOM 0 H GLY A 73 9.542 -15.972 9.944 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.180 -18.366 10.292 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.452 -18.570 10.504 1.00 0.00 H new ATOM 1085 N THR A 74 9.605 -19.164 8.031 1.00 0.00 N ATOM 1086 CA THR A 74 9.391 -19.342 6.613 1.00 0.00 C ATOM 1087 C THR A 74 8.209 -20.275 6.343 1.00 0.00 C ATOM 1088 O THR A 74 8.346 -21.499 6.276 1.00 0.00 O ATOM 1089 CB THR A 74 10.667 -19.853 5.898 1.00 0.00 C ATOM 1090 OG1 THR A 74 10.377 -20.203 4.536 1.00 0.00 O ATOM 1091 CG2 THR A 74 11.271 -21.048 6.621 1.00 0.00 C ATOM 0 H THR A 74 9.399 -19.988 8.596 1.00 0.00 H new ATOM 0 HA THR A 74 9.152 -18.362 6.201 1.00 0.00 H new ATOM 0 HB THR A 74 11.396 -19.042 5.912 1.00 0.00 H new ATOM 0 HG1 THR A 74 11.194 -20.522 4.099 1.00 0.00 H new ATOM 0 HG21 THR A 74 12.164 -21.380 6.092 1.00 0.00 H new ATOM 0 HG22 THR A 74 11.537 -20.761 7.638 1.00 0.00 H new ATOM 0 HG23 THR A 74 10.545 -21.860 6.652 1.00 0.00 H new ATOM 1099 N ALA A 75 7.035 -19.681 6.218 1.00 0.00 N ATOM 1100 CA ALA A 75 5.846 -20.416 5.807 1.00 0.00 C ATOM 1101 C ALA A 75 5.836 -20.580 4.292 1.00 0.00 C ATOM 1102 O ALA A 75 4.894 -21.132 3.721 1.00 0.00 O ATOM 1103 CB ALA A 75 4.589 -19.703 6.281 1.00 0.00 C ATOM 0 H ALA A 75 6.877 -18.689 6.395 1.00 0.00 H new ATOM 0 HA ALA A 75 5.865 -21.405 6.265 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.711 -20.266 5.965 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.601 -19.629 7.368 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.553 -18.703 5.849 1.00 0.00 H new ATOM 1109 N ASN A 76 6.905 -20.084 3.659 1.00 0.00 N ATOM 1110 CA ASN A 76 7.100 -20.147 2.206 1.00 0.00 C ATOM 1111 C ASN A 76 6.146 -19.220 1.467 1.00 0.00 C ATOM 1112 O ASN A 76 6.576 -18.321 0.751 1.00 0.00 O ATOM 1113 CB ASN A 76 6.971 -21.580 1.670 1.00 0.00 C ATOM 1114 CG ASN A 76 8.091 -22.493 2.139 1.00 0.00 C ATOM 1115 OD1 ASN A 76 9.202 -22.043 2.423 1.00 0.00 O ATOM 1116 ND2 ASN A 76 7.810 -23.786 2.209 1.00 0.00 N ATOM 0 H ASN A 76 7.670 -19.621 4.149 1.00 0.00 H new ATOM 0 HA ASN A 76 8.119 -19.808 2.018 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.014 -21.996 1.987 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.963 -21.555 0.580 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.526 -24.448 2.507 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.877 -24.119 1.965 1.00 0.00 H new ATOM 1123 N SER A 77 4.860 -19.435 1.652 1.00 0.00 N ATOM 1124 CA SER A 77 3.845 -18.646 0.980 1.00 0.00 C ATOM 1125 C SER A 77 3.221 -17.644 1.949 1.00 0.00 C ATOM 1126 O SER A 77 2.568 -18.027 2.922 1.00 0.00 O ATOM 1127 CB SER A 77 2.772 -19.571 0.399 1.00 0.00 C ATOM 1128 OG SER A 77 1.775 -18.847 -0.293 1.00 0.00 O ATOM 0 H SER A 77 4.489 -20.157 2.269 1.00 0.00 H new ATOM 0 HA SER A 77 4.309 -18.089 0.166 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.237 -20.287 -0.278 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.312 -20.145 1.204 1.00 0.00 H new ATOM 0 HG SER A 77 1.108 -19.469 -0.652 1.00 0.00 H new ATOM 1134 N TYR A 78 3.441 -16.363 1.693 1.00 0.00 N ATOM 1135 CA TYR A 78 2.886 -15.309 2.529 1.00 0.00 C ATOM 1136 C TYR A 78 1.923 -14.449 1.725 1.00 0.00 C ATOM 1137 O TYR A 78 2.225 -14.043 0.602 1.00 0.00 O ATOM 1138 CB TYR A 78 4.001 -14.444 3.119 1.00 0.00 C ATOM 1139 CG TYR A 78 4.789 -15.128 4.212 1.00 0.00 C ATOM 1140 CD1 TYR A 78 5.806 -16.025 3.910 1.00 0.00 C ATOM 1141 CD2 TYR A 78 4.510 -14.877 5.548 1.00 0.00 C ATOM 1142 CE1 TYR A 78 6.521 -16.651 4.910 1.00 0.00 C ATOM 1143 CE2 TYR A 78 5.220 -15.500 6.553 1.00 0.00 C ATOM 1144 CZ TYR A 78 6.223 -16.387 6.229 1.00 0.00 C ATOM 1145 OH TYR A 78 6.931 -17.018 7.226 1.00 0.00 O ATOM 0 H TYR A 78 4.002 -16.028 0.910 1.00 0.00 H new ATOM 0 HA TYR A 78 2.340 -15.774 3.350 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.683 -14.152 2.320 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.565 -13.528 3.517 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.040 -16.235 2.877 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.724 -14.182 5.805 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.310 -17.345 4.660 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.991 -15.294 7.588 1.00 0.00 H new ATOM 0 HH TYR A 78 6.600 -16.723 8.100 1.00 0.00 H new ATOM 1155 N THR A 79 0.768 -14.168 2.300 1.00 0.00 N ATOM 1156 CA THR A 79 -0.253 -13.410 1.602 1.00 0.00 C ATOM 1157 C THR A 79 -0.181 -11.940 1.987 1.00 0.00 C ATOM 1158 O THR A 79 -0.835 -11.501 2.935 1.00 0.00 O ATOM 1159 CB THR A 79 -1.661 -13.952 1.914 1.00 0.00 C ATOM 1160 OG1 THR A 79 -1.658 -15.382 1.830 1.00 0.00 O ATOM 1161 CG2 THR A 79 -2.690 -13.388 0.945 1.00 0.00 C ATOM 0 H THR A 79 0.514 -14.453 3.246 1.00 0.00 H new ATOM 0 HA THR A 79 -0.067 -13.515 0.533 1.00 0.00 H new ATOM 0 HB THR A 79 -1.931 -13.642 2.924 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.273 -15.757 2.649 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.675 -13.787 1.188 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.708 -12.301 1.026 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.425 -13.672 -0.073 1.00 0.00 H new ATOM 1169 N LEU A 80 0.632 -11.184 1.270 1.00 0.00 N ATOM 1170 CA LEU A 80 0.812 -9.777 1.570 1.00 0.00 C ATOM 1171 C LEU A 80 -0.232 -8.941 0.852 1.00 0.00 C ATOM 1172 O LEU A 80 -0.263 -8.863 -0.375 1.00 0.00 O ATOM 1173 CB LEU A 80 2.223 -9.318 1.207 1.00 0.00 C ATOM 1174 CG LEU A 80 3.234 -9.369 2.356 1.00 0.00 C ATOM 1175 CD1 LEU A 80 3.319 -10.766 2.957 1.00 0.00 C ATOM 1176 CD2 LEU A 80 4.598 -8.914 1.872 1.00 0.00 C ATOM 0 H LEU A 80 1.177 -11.522 0.477 1.00 0.00 H new ATOM 0 HA LEU A 80 0.681 -9.638 2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.592 -9.938 0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.172 -8.296 0.833 1.00 0.00 H new ATOM 0 HG LEU A 80 2.892 -8.692 3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.045 -10.769 3.770 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.342 -11.056 3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.631 -11.474 2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.309 -8.954 2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.936 -9.569 1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.530 -7.891 1.501 1.00 0.00 H new ATOM 1188 N THR A 81 -1.097 -8.336 1.635 1.00 0.00 N ATOM 1189 CA THR A 81 -2.180 -7.542 1.108 1.00 0.00 C ATOM 1190 C THR A 81 -2.012 -6.084 1.507 1.00 0.00 C ATOM 1191 O THR A 81 -1.892 -5.765 2.688 1.00 0.00 O ATOM 1192 CB THR A 81 -3.532 -8.071 1.622 1.00 0.00 C ATOM 1193 OG1 THR A 81 -3.619 -9.482 1.379 1.00 0.00 O ATOM 1194 CG2 THR A 81 -4.692 -7.367 0.938 1.00 0.00 C ATOM 0 H THR A 81 -1.068 -8.381 2.654 1.00 0.00 H new ATOM 0 HA THR A 81 -2.161 -7.615 0.021 1.00 0.00 H new ATOM 0 HB THR A 81 -3.592 -7.872 2.692 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.479 -9.818 1.708 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.633 -7.761 1.321 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.638 -6.297 1.139 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.638 -7.537 -0.137 1.00 0.00 H new ATOM 1202 N VAL A 82 -1.972 -5.207 0.519 1.00 0.00 N ATOM 1203 CA VAL A 82 -1.891 -3.780 0.776 1.00 0.00 C ATOM 1204 C VAL A 82 -3.289 -3.195 0.875 1.00 0.00 C ATOM 1205 O VAL A 82 -4.033 -3.174 -0.107 1.00 0.00 O ATOM 1206 CB VAL A 82 -1.103 -3.039 -0.325 1.00 0.00 C ATOM 1207 CG1 VAL A 82 -0.984 -1.558 0.004 1.00 0.00 C ATOM 1208 CG2 VAL A 82 0.274 -3.658 -0.508 1.00 0.00 C ATOM 0 H VAL A 82 -1.994 -5.458 -0.469 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.359 -3.646 1.718 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.651 -3.139 -1.262 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.425 -1.054 -0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.980 -1.121 0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.462 -1.437 0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.813 -3.121 -1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.829 -3.593 0.428 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.167 -4.704 -0.794 1.00 0.00 H new ATOM 1218 N ASN A 83 -3.659 -2.761 2.069 1.00 0.00 N ATOM 1219 CA ASN A 83 -4.933 -2.094 2.258 1.00 0.00 C ATOM 1220 C ASN A 83 -4.698 -0.616 2.506 1.00 0.00 C ATOM 1221 O ASN A 83 -4.030 -0.233 3.473 1.00 0.00 O ATOM 1222 CB ASN A 83 -5.719 -2.717 3.415 1.00 0.00 C ATOM 1223 CG ASN A 83 -7.058 -2.039 3.640 1.00 0.00 C ATOM 1224 OD1 ASN A 83 -7.175 -1.120 4.443 1.00 0.00 O ATOM 1225 ND2 ASN A 83 -8.076 -2.487 2.922 1.00 0.00 N ATOM 0 H ASN A 83 -3.098 -2.858 2.915 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.529 -2.217 1.354 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.881 -3.775 3.211 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.126 -2.655 4.328 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.999 -2.065 3.027 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.938 -3.254 2.264 1.00 0.00 H new ATOM 1232 N VAL A 84 -5.211 0.207 1.613 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.018 1.638 1.712 1.00 0.00 C ATOM 1234 C VAL A 84 -6.039 2.263 2.657 1.00 0.00 C ATOM 1235 O VAL A 84 -7.212 2.410 2.321 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.078 2.308 0.326 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -4.899 3.812 0.448 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -4.018 1.705 -0.592 1.00 0.00 C ATOM 0 H VAL A 84 -5.765 -0.092 0.810 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.023 1.808 2.124 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.060 2.124 -0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.945 4.265 -0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.692 4.223 1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.932 4.028 0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.068 2.185 -1.570 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.030 1.863 -0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.198 0.636 -0.703 1.00 0.00 H new ATOM 1248 N ASP A 85 -5.555 2.577 3.853 1.00 0.00 N ATOM 1249 CA ASP A 85 -6.324 3.242 4.907 1.00 0.00 C ATOM 1250 C ASP A 85 -7.551 2.435 5.328 1.00 0.00 C ATOM 1251 O ASP A 85 -8.646 2.598 4.789 1.00 0.00 O ATOM 1252 CB ASP A 85 -6.722 4.660 4.504 1.00 0.00 C ATOM 1253 CG ASP A 85 -7.024 5.516 5.716 1.00 0.00 C ATOM 1254 OD1 ASP A 85 -8.181 5.516 6.171 1.00 0.00 O ATOM 1255 OD2 ASP A 85 -6.093 6.176 6.228 1.00 0.00 O ATOM 0 H ASP A 85 -4.594 2.373 4.127 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.665 3.308 5.773 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.917 5.115 3.927 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.597 4.623 3.856 1.00 0.00 H new ATOM 1260 N PRO A 86 -7.366 1.552 6.320 1.00 0.00 N ATOM 1261 CA PRO A 86 -8.436 0.705 6.854 1.00 0.00 C ATOM 1262 C PRO A 86 -9.457 1.504 7.659 1.00 0.00 C ATOM 1263 O PRO A 86 -10.538 1.009 7.983 1.00 0.00 O ATOM 1264 CB PRO A 86 -7.702 -0.290 7.770 1.00 0.00 C ATOM 1265 CG PRO A 86 -6.245 -0.110 7.483 1.00 0.00 C ATOM 1266 CD PRO A 86 -6.088 1.300 6.994 1.00 0.00 C ATOM 0 HA PRO A 86 -9.003 0.226 6.055 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.921 -0.091 8.819 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.017 -1.314 7.567 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -5.647 -0.281 8.379 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -5.905 -0.823 6.732 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -5.919 1.997 7.815 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.244 1.400 6.312 1.00 0.00 H new ATOM 1274 N GLU A 87 -9.106 2.745 7.971 1.00 0.00 N ATOM 1275 CA GLU A 87 -9.966 3.617 8.757 1.00 0.00 C ATOM 1276 C GLU A 87 -10.899 4.406 7.847 1.00 0.00 C ATOM 1277 O GLU A 87 -11.788 5.121 8.319 1.00 0.00 O ATOM 1278 CB GLU A 87 -9.114 4.561 9.609 1.00 0.00 C ATOM 1279 CG GLU A 87 -8.223 3.822 10.592 1.00 0.00 C ATOM 1280 CD GLU A 87 -7.365 4.743 11.435 1.00 0.00 C ATOM 1281 OE1 GLU A 87 -7.912 5.422 12.329 1.00 0.00 O ATOM 1282 OE2 GLU A 87 -6.133 4.758 11.240 1.00 0.00 O ATOM 0 H GLU A 87 -8.224 3.172 7.688 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.577 3.005 9.420 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.495 5.175 8.955 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.768 5.239 10.157 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.845 3.214 11.249 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.577 3.138 10.042 1.00 0.00 H new ATOM 1289 N ASN A 88 -10.677 4.269 6.541 1.00 0.00 N ATOM 1290 CA ASN A 88 -11.508 4.907 5.523 1.00 0.00 C ATOM 1291 C ASN A 88 -11.513 6.424 5.706 1.00 0.00 C ATOM 1292 O ASN A 88 -12.550 7.083 5.586 1.00 0.00 O ATOM 1293 CB ASN A 88 -12.939 4.352 5.567 1.00 0.00 C ATOM 1294 CG ASN A 88 -13.753 4.704 4.330 1.00 0.00 C ATOM 1295 OD1 ASN A 88 -14.962 4.908 4.410 1.00 0.00 O ATOM 1296 ND2 ASN A 88 -13.100 4.760 3.174 1.00 0.00 N ATOM 0 H ASN A 88 -9.914 3.711 6.159 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.084 4.682 4.544 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -12.899 3.268 5.672 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.446 4.739 6.451 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -13.603 4.978 2.314 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -12.096 4.585 3.147 1.00 0.00 H new ATOM 1303 N ALA A 89 -10.340 6.974 5.993 1.00 0.00 N ATOM 1304 CA ALA A 89 -10.177 8.412 6.155 1.00 0.00 C ATOM 1305 C ALA A 89 -10.346 9.118 4.816 1.00 0.00 C ATOM 1306 O ALA A 89 -10.732 10.285 4.756 1.00 0.00 O ATOM 1307 CB ALA A 89 -8.815 8.731 6.756 1.00 0.00 C ATOM 0 H ALA A 89 -9.480 6.440 6.119 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.947 8.772 6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.711 9.810 6.870 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.727 8.253 7.732 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.030 8.358 6.097 1.00 0.00 H new ATOM 1313 N VAL A 90 -10.055 8.402 3.742 1.00 0.00 N ATOM 1314 CA VAL A 90 -10.241 8.926 2.400 1.00 0.00 C ATOM 1315 C VAL A 90 -11.388 8.192 1.717 1.00 0.00 C ATOM 1316 O VAL A 90 -11.379 6.966 1.624 1.00 0.00 O ATOM 1317 CB VAL A 90 -8.957 8.788 1.549 1.00 0.00 C ATOM 1318 CG1 VAL A 90 -9.165 9.373 0.159 1.00 0.00 C ATOM 1319 CG2 VAL A 90 -7.779 9.460 2.243 1.00 0.00 C ATOM 0 H VAL A 90 -9.687 7.451 3.775 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.475 9.987 2.485 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.732 7.727 1.441 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.249 9.265 -0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.976 8.844 -0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.419 10.430 0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.885 9.352 1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.996 10.519 2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.612 8.991 3.212 1.00 0.00 H new ATOM 1329 N ASN A 91 -12.391 8.940 1.281 1.00 0.00 N ATOM 1330 CA ASN A 91 -13.515 8.360 0.554 1.00 0.00 C ATOM 1331 C ASN A 91 -13.131 8.155 -0.906 1.00 0.00 C ATOM 1332 O ASN A 91 -12.624 9.077 -1.546 1.00 0.00 O ATOM 1333 CB ASN A 91 -14.742 9.269 0.645 1.00 0.00 C ATOM 1334 CG ASN A 91 -15.961 8.662 -0.020 1.00 0.00 C ATOM 1335 OD1 ASN A 91 -16.152 7.445 -0.008 1.00 0.00 O ATOM 1336 ND2 ASN A 91 -16.790 9.504 -0.615 1.00 0.00 N ATOM 0 H ASN A 91 -12.451 9.949 1.417 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.762 7.398 1.003 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -14.965 9.470 1.693 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -14.516 10.228 0.178 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -17.623 9.152 -1.086 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -16.596 10.505 -0.602 1.00 0.00 H new ATOM 1343 N GLU A 92 -13.376 6.961 -1.428 1.00 0.00 N ATOM 1344 CA GLU A 92 -12.916 6.608 -2.764 1.00 0.00 C ATOM 1345 C GLU A 92 -14.055 6.118 -3.649 1.00 0.00 C ATOM 1346 O GLU A 92 -15.117 5.733 -3.159 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.855 5.521 -2.684 1.00 0.00 C ATOM 1348 CG GLU A 92 -10.629 5.916 -1.888 1.00 0.00 C ATOM 1349 CD GLU A 92 -9.604 4.815 -1.881 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -9.075 4.507 -2.963 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -9.349 4.240 -0.804 1.00 0.00 O ATOM 0 H GLU A 92 -13.890 6.222 -0.948 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.499 7.512 -3.207 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.295 4.630 -2.236 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.548 5.251 -3.695 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.192 6.820 -2.313 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.918 6.153 -0.864 1.00 0.00 H new ATOM 1358 N GLY A 93 -13.815 6.177 -4.957 1.00 0.00 N ATOM 1359 CA GLY A 93 -14.738 5.640 -5.946 1.00 0.00 C ATOM 1360 C GLY A 93 -15.028 4.156 -5.774 1.00 0.00 C ATOM 1361 O GLY A 93 -15.849 3.761 -4.947 1.00 0.00 O ATOM 0 H GLY A 93 -12.977 6.598 -5.357 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.676 6.193 -5.892 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -14.327 5.807 -6.942 1.00 0.00 H new ATOM 1365 N ASN A 94 -14.364 3.343 -6.597 1.00 0.00 N ATOM 1366 CA ASN A 94 -14.563 1.891 -6.616 1.00 0.00 C ATOM 1367 C ASN A 94 -14.278 1.267 -5.242 1.00 0.00 C ATOM 1368 O ASN A 94 -13.604 1.867 -4.408 1.00 0.00 O ATOM 1369 CB ASN A 94 -13.655 1.263 -7.683 1.00 0.00 C ATOM 1370 CG ASN A 94 -13.991 -0.186 -7.974 1.00 0.00 C ATOM 1371 OD1 ASN A 94 -15.142 -0.599 -7.867 1.00 0.00 O ATOM 1372 ND2 ASN A 94 -12.991 -0.966 -8.351 1.00 0.00 N ATOM 0 H ASN A 94 -13.672 3.672 -7.270 1.00 0.00 H new ATOM 0 HA ASN A 94 -15.606 1.691 -6.859 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -13.735 1.840 -8.604 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -12.618 1.330 -7.354 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -13.163 -1.948 -8.565 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -12.048 -0.585 -8.428 1.00 0.00 H new ATOM 1379 N GLU A 95 -14.792 0.059 -5.012 1.00 0.00 N ATOM 1380 CA GLU A 95 -14.663 -0.591 -3.708 1.00 0.00 C ATOM 1381 C GLU A 95 -13.660 -1.745 -3.756 1.00 0.00 C ATOM 1382 O GLU A 95 -13.455 -2.452 -2.769 1.00 0.00 O ATOM 1383 CB GLU A 95 -16.031 -1.096 -3.220 1.00 0.00 C ATOM 1384 CG GLU A 95 -16.502 -2.403 -3.854 1.00 0.00 C ATOM 1385 CD GLU A 95 -16.683 -2.316 -5.352 1.00 0.00 C ATOM 1386 OE1 GLU A 95 -17.727 -1.799 -5.802 1.00 0.00 O ATOM 1387 OE2 GLU A 95 -15.780 -2.760 -6.086 1.00 0.00 O ATOM 0 H GLU A 95 -15.299 -0.487 -5.708 1.00 0.00 H new ATOM 0 HA GLU A 95 -14.288 0.152 -3.004 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -15.987 -1.229 -2.139 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -16.777 -0.326 -3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -15.780 -3.188 -3.628 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -17.447 -2.699 -3.398 1.00 0.00 H new ATOM 1394 N SER A 96 -13.041 -1.939 -4.910 1.00 0.00 N ATOM 1395 CA SER A 96 -12.069 -3.011 -5.083 1.00 0.00 C ATOM 1396 C SER A 96 -10.750 -2.455 -5.605 1.00 0.00 C ATOM 1397 O SER A 96 -9.956 -3.172 -6.210 1.00 0.00 O ATOM 1398 CB SER A 96 -12.619 -4.057 -6.053 1.00 0.00 C ATOM 1399 OG SER A 96 -13.902 -4.503 -5.643 1.00 0.00 O ATOM 0 H SER A 96 -13.193 -1.369 -5.742 1.00 0.00 H new ATOM 0 HA SER A 96 -11.888 -3.480 -4.116 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.680 -3.633 -7.055 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.935 -4.904 -6.107 1.00 0.00 H new ATOM 0 HG SER A 96 -14.580 -3.858 -5.932 1.00 0.00 H new ATOM 1405 N ASN A 97 -10.514 -1.179 -5.345 1.00 0.00 N ATOM 1406 CA ASN A 97 -9.343 -0.496 -5.881 1.00 0.00 C ATOM 1407 C ASN A 97 -8.210 -0.431 -4.859 1.00 0.00 C ATOM 1408 O ASN A 97 -7.050 -0.638 -5.200 1.00 0.00 O ATOM 1409 CB ASN A 97 -9.709 0.925 -6.327 1.00 0.00 C ATOM 1410 CG ASN A 97 -10.145 1.810 -5.171 1.00 0.00 C ATOM 1411 OD1 ASN A 97 -10.788 1.350 -4.225 1.00 0.00 O ATOM 1412 ND2 ASN A 97 -9.788 3.076 -5.236 1.00 0.00 N ATOM 0 H ASN A 97 -11.116 -0.594 -4.766 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.998 -1.072 -6.740 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -8.850 1.378 -6.822 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -10.511 0.875 -7.063 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.043 3.717 -4.485 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.256 3.415 -6.037 1.00 0.00 H new ATOM 1419 N ASN A 98 -8.562 -0.184 -3.601 1.00 0.00 N ATOM 1420 CA ASN A 98 -7.580 0.141 -2.566 1.00 0.00 C ATOM 1421 C ASN A 98 -6.948 -1.106 -1.955 1.00 0.00 C ATOM 1422 O ASN A 98 -6.243 -1.028 -0.946 1.00 0.00 O ATOM 1423 CB ASN A 98 -8.238 0.980 -1.463 1.00 0.00 C ATOM 1424 CG ASN A 98 -9.142 0.169 -0.547 1.00 0.00 C ATOM 1425 OD1 ASN A 98 -9.729 -0.837 -0.953 1.00 0.00 O ATOM 1426 ND2 ASN A 98 -9.263 0.607 0.700 1.00 0.00 N ATOM 0 H ASN A 98 -9.527 -0.202 -3.270 1.00 0.00 H new ATOM 0 HA ASN A 98 -6.784 0.712 -3.044 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -7.460 1.456 -0.866 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.821 1.779 -1.922 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -9.858 0.107 1.361 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -8.761 1.443 0.998 1.00 0.00 H new ATOM 1433 N THR A 99 -7.189 -2.251 -2.565 1.00 0.00 N ATOM 1434 CA THR A 99 -6.651 -3.498 -2.059 1.00 0.00 C ATOM 1435 C THR A 99 -5.737 -4.150 -3.095 1.00 0.00 C ATOM 1436 O THR A 99 -5.923 -3.980 -4.302 1.00 0.00 O ATOM 1437 CB THR A 99 -7.775 -4.477 -1.690 1.00 0.00 C ATOM 1438 OG1 THR A 99 -8.863 -3.769 -1.078 1.00 0.00 O ATOM 1439 CG2 THR A 99 -7.277 -5.548 -0.731 1.00 0.00 C ATOM 0 H THR A 99 -7.753 -2.343 -3.410 1.00 0.00 H new ATOM 0 HA THR A 99 -6.076 -3.266 -1.163 1.00 0.00 H new ATOM 0 HB THR A 99 -8.114 -4.957 -2.608 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.576 -4.401 -0.848 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.094 -6.227 -0.487 1.00 0.00 H new ATOM 0 HG22 THR A 99 -6.468 -6.108 -1.199 1.00 0.00 H new ATOM 0 HG23 THR A 99 -6.912 -5.078 0.182 1.00 0.00 H new ATOM 1447 N LEU A 100 -4.754 -4.885 -2.608 1.00 0.00 N ATOM 1448 CA LEU A 100 -3.813 -5.599 -3.461 1.00 0.00 C ATOM 1449 C LEU A 100 -3.357 -6.871 -2.766 1.00 0.00 C ATOM 1450 O LEU A 100 -2.596 -6.817 -1.802 1.00 0.00 O ATOM 1451 CB LEU A 100 -2.590 -4.730 -3.786 1.00 0.00 C ATOM 1452 CG LEU A 100 -1.509 -5.412 -4.630 1.00 0.00 C ATOM 1453 CD1 LEU A 100 -2.014 -5.678 -6.039 1.00 0.00 C ATOM 1454 CD2 LEU A 100 -0.242 -4.568 -4.661 1.00 0.00 C ATOM 0 H LEU A 100 -4.583 -5.006 -1.610 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.319 -5.845 -4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.929 -3.837 -4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.141 -4.398 -2.850 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.270 -6.371 -4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.230 -6.163 -6.621 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.888 -6.328 -5.996 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.286 -4.735 -6.512 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.514 -5.069 -5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.465 -3.593 -5.094 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.133 -4.437 -3.646 1.00 0.00 H new ATOM 1466 N THR A 101 -3.844 -8.004 -3.235 1.00 0.00 N ATOM 1467 CA THR A 101 -3.446 -9.284 -2.681 1.00 0.00 C ATOM 1468 C THR A 101 -2.280 -9.863 -3.476 1.00 0.00 C ATOM 1469 O THR A 101 -2.469 -10.435 -4.550 1.00 0.00 O ATOM 1470 CB THR A 101 -4.626 -10.276 -2.680 1.00 0.00 C ATOM 1471 OG1 THR A 101 -5.755 -9.678 -2.028 1.00 0.00 O ATOM 1472 CG2 THR A 101 -4.256 -11.570 -1.969 1.00 0.00 C ATOM 0 H THR A 101 -4.517 -8.064 -3.999 1.00 0.00 H new ATOM 0 HA THR A 101 -3.131 -9.123 -1.650 1.00 0.00 H new ATOM 0 HB THR A 101 -4.875 -10.512 -3.715 1.00 0.00 H new ATOM 0 HG1 THR A 101 -6.505 -10.308 -2.029 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.108 -12.250 -1.984 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.411 -12.035 -2.477 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.984 -11.353 -0.936 1.00 0.00 H new ATOM 1480 N ALA A 102 -1.076 -9.683 -2.959 1.00 0.00 N ATOM 1481 CA ALA A 102 0.116 -10.172 -3.624 1.00 0.00 C ATOM 1482 C ALA A 102 0.709 -11.341 -2.855 1.00 0.00 C ATOM 1483 O ALA A 102 1.082 -11.207 -1.688 1.00 0.00 O ATOM 1484 CB ALA A 102 1.137 -9.057 -3.775 1.00 0.00 C ATOM 0 H ALA A 102 -0.900 -9.200 -2.078 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.160 -10.519 -4.620 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.025 -9.442 -4.276 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.708 -8.249 -4.367 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.411 -8.679 -2.790 1.00 0.00 H new ATOM 1490 N LEU A 103 0.777 -12.488 -3.504 1.00 0.00 N ATOM 1491 CA LEU A 103 1.338 -13.674 -2.889 1.00 0.00 C ATOM 1492 C LEU A 103 2.855 -13.619 -2.989 1.00 0.00 C ATOM 1493 O LEU A 103 3.420 -13.711 -4.080 1.00 0.00 O ATOM 1494 CB LEU A 103 0.784 -14.934 -3.572 1.00 0.00 C ATOM 1495 CG LEU A 103 0.895 -16.245 -2.776 1.00 0.00 C ATOM 1496 CD1 LEU A 103 2.336 -16.723 -2.686 1.00 0.00 C ATOM 1497 CD2 LEU A 103 0.305 -16.070 -1.384 1.00 0.00 C ATOM 0 H LEU A 103 0.449 -12.623 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 103 1.057 -13.713 -1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.267 -14.763 -3.805 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.303 -15.065 -4.521 1.00 0.00 H new ATOM 0 HG LEU A 103 0.326 -17.007 -3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.376 -17.652 -2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.726 -16.895 -3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.940 -15.965 -2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.391 -17.006 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.847 -15.286 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.746 -15.792 -1.466 1.00 0.00 H new ATOM 1509 N VAL A 104 3.509 -13.451 -1.856 1.00 0.00 N ATOM 1510 CA VAL A 104 4.959 -13.368 -1.828 1.00 0.00 C ATOM 1511 C VAL A 104 5.538 -14.680 -1.329 1.00 0.00 C ATOM 1512 O VAL A 104 4.829 -15.492 -0.727 1.00 0.00 O ATOM 1513 CB VAL A 104 5.470 -12.211 -0.939 1.00 0.00 C ATOM 1514 CG1 VAL A 104 4.896 -10.878 -1.392 1.00 0.00 C ATOM 1515 CG2 VAL A 104 5.154 -12.464 0.523 1.00 0.00 C ATOM 0 H VAL A 104 3.061 -13.369 -0.943 1.00 0.00 H new ATOM 0 HA VAL A 104 5.289 -13.169 -2.848 1.00 0.00 H new ATOM 0 HB VAL A 104 6.554 -12.166 -1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.272 -10.082 -0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.195 -10.684 -2.422 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.808 -10.910 -1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 104 5.525 -11.634 1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.075 -12.552 0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.634 -13.388 0.844 1.00 0.00 H new ATOM 1525 N GLY A 105 6.819 -14.891 -1.572 1.00 0.00 N ATOM 1526 CA GLY A 105 7.435 -16.122 -1.151 1.00 0.00 C ATOM 1527 C GLY A 105 8.734 -15.883 -0.428 1.00 0.00 C ATOM 1528 O GLY A 105 9.266 -14.773 -0.443 1.00 0.00 O ATOM 0 H GLY A 105 7.438 -14.236 -2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.751 -16.665 -0.499 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.615 -16.754 -2.021 1.00 0.00 H new ATOM 1532 N THR A 106 9.238 -16.910 0.221 1.00 0.00 N ATOM 1533 CA THR A 106 10.548 -16.846 0.828 1.00 0.00 C ATOM 1534 C THR A 106 11.602 -17.168 -0.222 1.00 0.00 C ATOM 1535 O THR A 106 11.456 -18.132 -0.975 1.00 0.00 O ATOM 1536 CB THR A 106 10.653 -17.805 2.029 1.00 0.00 C ATOM 1537 OG1 THR A 106 10.181 -19.112 1.669 1.00 0.00 O ATOM 1538 CG2 THR A 106 9.839 -17.277 3.200 1.00 0.00 C ATOM 0 H THR A 106 8.758 -17.802 0.342 1.00 0.00 H new ATOM 0 HA THR A 106 10.715 -15.838 1.207 1.00 0.00 H new ATOM 0 HB THR A 106 11.701 -17.872 2.322 1.00 0.00 H new ATOM 0 HG1 THR A 106 10.170 -19.686 2.463 1.00 0.00 H new ATOM 0 HG21 THR A 106 9.923 -17.965 4.041 1.00 0.00 H new ATOM 0 HG22 THR A 106 10.217 -16.298 3.493 1.00 0.00 H new ATOM 0 HG23 THR A 106 8.793 -17.189 2.906 1.00 0.00 H new ATOM 1546 N LEU A 107 12.632 -16.331 -0.296 1.00 0.00 N ATOM 1547 CA LEU A 107 13.650 -16.448 -1.331 1.00 0.00 C ATOM 1548 C LEU A 107 14.257 -17.841 -1.330 1.00 0.00 C ATOM 1549 O LEU A 107 14.864 -18.265 -0.344 1.00 0.00 O ATOM 1550 CB LEU A 107 14.744 -15.395 -1.134 1.00 0.00 C ATOM 1551 CG LEU A 107 15.773 -15.307 -2.266 1.00 0.00 C ATOM 1552 CD1 LEU A 107 15.103 -14.885 -3.565 1.00 0.00 C ATOM 1553 CD2 LEU A 107 16.890 -14.339 -1.903 1.00 0.00 C ATOM 0 H LEU A 107 12.783 -15.560 0.354 1.00 0.00 H new ATOM 0 HA LEU A 107 13.173 -16.277 -2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 107 14.271 -14.420 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 107 15.269 -15.609 -0.203 1.00 0.00 H new ATOM 0 HG LEU A 107 16.210 -16.296 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 107 15.849 -14.828 -4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 107 14.341 -15.616 -3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 107 14.638 -13.908 -3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 107 17.610 -14.291 -2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 107 16.471 -13.348 -1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 107 17.391 -14.684 -0.998 1.00 0.00 H new ATOM 1565 N GLU A 108 14.086 -18.545 -2.439 1.00 0.00 N ATOM 1566 CA GLU A 108 14.557 -19.913 -2.552 1.00 0.00 C ATOM 1567 C GLU A 108 16.081 -19.961 -2.632 1.00 0.00 C ATOM 1568 O GLU A 108 16.700 -20.965 -2.277 1.00 0.00 O ATOM 1569 CB GLU A 108 13.902 -20.632 -3.743 1.00 0.00 C ATOM 1570 CG GLU A 108 13.536 -19.732 -4.921 1.00 0.00 C ATOM 1571 CD GLU A 108 14.734 -19.083 -5.576 1.00 0.00 C ATOM 1572 OE1 GLU A 108 15.351 -19.721 -6.452 1.00 0.00 O ATOM 1573 OE2 GLU A 108 15.064 -17.928 -5.216 1.00 0.00 O ATOM 0 H GLU A 108 13.623 -18.188 -3.275 1.00 0.00 H new ATOM 0 HA GLU A 108 14.259 -20.447 -1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 108 14.580 -21.409 -4.096 1.00 0.00 H new ATOM 0 HB3 GLU A 108 12.999 -21.132 -3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 108 12.999 -20.320 -5.665 1.00 0.00 H new ATOM 0 HG3 GLU A 108 12.854 -18.955 -4.576 1.00 0.00 H new ATOM 1580 N HIS A 109 16.679 -18.871 -3.096 1.00 0.00 N ATOM 1581 CA HIS A 109 18.125 -18.710 -3.034 1.00 0.00 C ATOM 1582 C HIS A 109 18.555 -18.542 -1.585 1.00 0.00 C ATOM 1583 O HIS A 109 18.190 -17.569 -0.924 1.00 0.00 O ATOM 1584 CB HIS A 109 18.587 -17.500 -3.852 1.00 0.00 C ATOM 1585 CG HIS A 109 18.632 -17.736 -5.329 1.00 0.00 C ATOM 1586 ND1 HIS A 109 17.520 -17.672 -6.137 1.00 0.00 N ATOM 1587 CD2 HIS A 109 19.673 -18.017 -6.148 1.00 0.00 C ATOM 1588 CE1 HIS A 109 17.872 -17.898 -7.386 1.00 0.00 C ATOM 1589 NE2 HIS A 109 19.172 -18.112 -7.423 1.00 0.00 N ATOM 0 H HIS A 109 16.185 -18.086 -3.519 1.00 0.00 H new ATOM 0 HA HIS A 109 18.586 -19.602 -3.459 1.00 0.00 H new ATOM 0 HB2 HIS A 109 17.919 -16.663 -3.650 1.00 0.00 H new ATOM 0 HB3 HIS A 109 19.580 -17.204 -3.513 1.00 0.00 H new ATOM 0 HD1 HIS A 109 16.570 -17.479 -5.818 1.00 0.00 H new ATOM 0 HD2 HIS A 109 20.704 -18.143 -5.854 1.00 0.00 H new ATOM 0 HE1 HIS A 109 17.207 -17.907 -8.237 1.00 0.00 H new ATOM 1598 N HIS A 110 19.318 -19.494 -1.086 1.00 0.00 N ATOM 1599 CA HIS A 110 19.737 -19.466 0.302 1.00 0.00 C ATOM 1600 C HIS A 110 21.221 -19.146 0.398 1.00 0.00 C ATOM 1601 O HIS A 110 22.069 -20.037 0.332 1.00 0.00 O ATOM 1602 CB HIS A 110 19.424 -20.796 1.000 1.00 0.00 C ATOM 1603 CG HIS A 110 17.973 -21.182 0.955 1.00 0.00 C ATOM 1604 ND1 HIS A 110 16.940 -20.277 1.107 1.00 0.00 N ATOM 1605 CD2 HIS A 110 17.382 -22.388 0.766 1.00 0.00 C ATOM 1606 CE1 HIS A 110 15.784 -20.909 1.016 1.00 0.00 C ATOM 1607 NE2 HIS A 110 16.023 -22.187 0.810 1.00 0.00 N ATOM 0 H HIS A 110 19.660 -20.294 -1.618 1.00 0.00 H new ATOM 0 HA HIS A 110 19.177 -18.682 0.812 1.00 0.00 H new ATOM 0 HB2 HIS A 110 20.014 -21.586 0.536 1.00 0.00 H new ATOM 0 HB3 HIS A 110 19.740 -20.732 2.041 1.00 0.00 H new ATOM 0 HD2 HIS A 110 17.885 -23.331 0.610 1.00 0.00 H new ATOM 0 HE1 HIS A 110 14.808 -20.454 1.097 1.00 0.00 H new ATOM 0 HE2 HIS A 110 15.314 -22.912 0.701 1.00 0.00 H new ATOM 1616 N HIS A 111 21.526 -17.863 0.517 1.00 0.00 N ATOM 1617 CA HIS A 111 22.903 -17.412 0.637 1.00 0.00 C ATOM 1618 C HIS A 111 23.072 -16.560 1.888 1.00 0.00 C ATOM 1619 O HIS A 111 22.554 -15.448 1.962 1.00 0.00 O ATOM 1620 CB HIS A 111 23.319 -16.608 -0.603 1.00 0.00 C ATOM 1621 CG HIS A 111 24.756 -16.169 -0.593 1.00 0.00 C ATOM 1622 ND1 HIS A 111 25.171 -14.932 -0.145 1.00 0.00 N ATOM 1623 CD2 HIS A 111 25.879 -16.816 -0.988 1.00 0.00 C ATOM 1624 CE1 HIS A 111 26.482 -14.838 -0.265 1.00 0.00 C ATOM 1625 NE2 HIS A 111 26.935 -15.968 -0.770 1.00 0.00 N ATOM 0 H HIS A 111 20.835 -17.113 0.533 1.00 0.00 H new ATOM 0 HA HIS A 111 23.545 -18.290 0.715 1.00 0.00 H new ATOM 0 HB2 HIS A 111 23.141 -17.213 -1.492 1.00 0.00 H new ATOM 0 HB3 HIS A 111 22.681 -15.728 -0.683 1.00 0.00 H new ATOM 0 HD2 HIS A 111 25.933 -17.814 -1.398 1.00 0.00 H new ATOM 0 HE1 HIS A 111 27.081 -13.981 0.005 1.00 0.00 H new ATOM 0 HE2 HIS A 111 27.913 -16.178 -0.967 1.00 0.00 H new ATOM 1634 N HIS A 112 23.772 -17.093 2.870 1.00 0.00 N ATOM 1635 CA HIS A 112 24.128 -16.318 4.046 1.00 0.00 C ATOM 1636 C HIS A 112 25.480 -15.666 3.807 1.00 0.00 C ATOM 1637 O HIS A 112 25.566 -14.489 3.463 1.00 0.00 O ATOM 1638 CB HIS A 112 24.190 -17.196 5.300 1.00 0.00 C ATOM 1639 CG HIS A 112 22.938 -17.967 5.579 1.00 0.00 C ATOM 1640 ND1 HIS A 112 21.817 -17.412 6.159 1.00 0.00 N ATOM 1641 CD2 HIS A 112 22.639 -19.269 5.363 1.00 0.00 C ATOM 1642 CE1 HIS A 112 20.886 -18.337 6.286 1.00 0.00 C ATOM 1643 NE2 HIS A 112 21.360 -19.472 5.810 1.00 0.00 N ATOM 0 H HIS A 112 24.106 -18.057 2.879 1.00 0.00 H new ATOM 0 HA HIS A 112 23.362 -15.560 4.212 1.00 0.00 H new ATOM 0 HB2 HIS A 112 25.018 -17.897 5.197 1.00 0.00 H new ATOM 0 HB3 HIS A 112 24.412 -16.564 6.160 1.00 0.00 H new ATOM 0 HD2 HIS A 112 23.288 -20.010 4.921 1.00 0.00 H new ATOM 0 HE1 HIS A 112 19.903 -18.190 6.708 1.00 0.00 H new ATOM 0 HE2 HIS A 112 20.856 -20.358 5.780 1.00 0.00 H new ATOM 1652 N HIS A 113 26.536 -16.451 3.963 1.00 0.00 N ATOM 1653 CA HIS A 113 27.883 -16.004 3.642 1.00 0.00 C ATOM 1654 C HIS A 113 28.637 -17.133 2.958 1.00 0.00 C ATOM 1655 O HIS A 113 29.867 -17.156 2.914 1.00 0.00 O ATOM 1656 CB HIS A 113 28.622 -15.531 4.902 1.00 0.00 C ATOM 1657 CG HIS A 113 28.107 -14.226 5.431 1.00 0.00 C ATOM 1658 ND1 HIS A 113 28.553 -13.005 4.980 1.00 0.00 N ATOM 1659 CD2 HIS A 113 27.152 -13.956 6.351 1.00 0.00 C ATOM 1660 CE1 HIS A 113 27.893 -12.044 5.595 1.00 0.00 C ATOM 1661 NE2 HIS A 113 27.033 -12.589 6.434 1.00 0.00 N ATOM 0 H HIS A 113 26.484 -17.408 4.313 1.00 0.00 H new ATOM 0 HA HIS A 113 27.824 -15.153 2.964 1.00 0.00 H new ATOM 0 HB2 HIS A 113 28.530 -16.292 5.677 1.00 0.00 H new ATOM 0 HB3 HIS A 113 29.684 -15.431 4.677 1.00 0.00 H new ATOM 0 HD2 HIS A 113 26.587 -14.682 6.917 1.00 0.00 H new ATOM 0 HE1 HIS A 113 28.033 -10.985 5.438 1.00 0.00 H new ATOM 0 HE2 HIS A 113 26.389 -12.082 7.041 1.00 0.00 H new ATOM 1670 N HIS A 114 27.867 -18.061 2.411 1.00 0.00 N ATOM 1671 CA HIS A 114 28.403 -19.203 1.694 1.00 0.00 C ATOM 1672 C HIS A 114 27.500 -19.529 0.517 1.00 0.00 C ATOM 1673 O HIS A 114 27.979 -19.514 -0.632 1.00 0.00 O ATOM 1674 CB HIS A 114 28.519 -20.417 2.618 1.00 0.00 C ATOM 1675 CG HIS A 114 29.930 -20.863 2.840 1.00 0.00 C ATOM 1676 ND1 HIS A 114 30.657 -20.529 3.961 1.00 0.00 N ATOM 1677 CD2 HIS A 114 30.753 -21.611 2.070 1.00 0.00 C ATOM 1678 CE1 HIS A 114 31.868 -21.048 3.867 1.00 0.00 C ATOM 1679 NE2 HIS A 114 31.951 -21.710 2.731 1.00 0.00 N ATOM 1680 OXT HIS A 114 26.297 -19.762 0.746 1.00 0.00 O ATOM 0 H HIS A 114 26.848 -18.041 2.453 1.00 0.00 H new ATOM 0 HA HIS A 114 29.400 -18.955 1.331 1.00 0.00 H new ATOM 0 HB2 HIS A 114 28.066 -20.177 3.580 1.00 0.00 H new ATOM 0 HB3 HIS A 114 27.947 -21.243 2.194 1.00 0.00 H new ATOM 0 HD2 HIS A 114 30.512 -22.049 1.113 1.00 0.00 H new ATOM 0 HE1 HIS A 114 32.657 -20.947 4.598 1.00 0.00 H new ATOM 0 HE2 HIS A 114 32.772 -22.214 2.397 1.00 0.00 H new TER 1689 HIS A 114