USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=32 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= 0.755 K(o=0.51,f=-1.4) USER MOD Set 1.2: A 99 THR OG1 : rot 37:sc= -0.249 USER MOD Set 2.1: A 94 ASN : amide:sc= -0.132 K(o=0.37,f=-0.13) USER MOD Set 2.2: A 97 ASN : amide:sc= 0.501 X(o=0.37,f=-0.056) USER MOD Set 3.1: A 76 ASN : amide:sc= 0.6 X(o=1.3,f=1.5) USER MOD Set 3.2: A 106 THR OG1 : rot -158:sc= 0.666 USER MOD Set 4.1: A 39 ASN :FLIP amide:sc= 0.471 F(o=-1,f=0.99) USER MOD Set 4.2: A 53 THR OG1 : rot -71:sc= 0.522 USER MOD Set 5.1: A 26 THR OG1 : rot -72:sc= 1.21 USER MOD Set 5.2: A 64 ASN : amide:sc= 0.973 K(o=2.2,f=-2.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) 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= -1.62 K(o=-1.6,f=-5.4!) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.154 USER MOD Single : A 21 ASN : amide:sc= -0.85! C(o=-0.85!,f=-2.9!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -115:sc= -2.27 (180deg=-6.33!) USER MOD Single : A 24 THR OG1 : rot -64:sc= 1.19 USER MOD Single : A 29 ASN : amide:sc= 1.24 K(o=1.2,f=-6.2!) USER MOD Single : A 30 GLN : amide:sc= 1.13 K(o=1.1,f=-0.32) USER MOD Single : A 32 ASN : amide:sc= -2.36! C(o=-2.4!,f=-9.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -160:sc= -0.0525 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0772 USER MOD Single : A 37 SER OG : rot -20:sc= 1.24 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.42) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.073 USER MOD Single : A 56 SER OG : rot 27:sc= 1.24 USER MOD Single : A 59 SER OG : rot -118:sc= 1.29 USER MOD Single : A 61 ASN : amide:sc= 0.767 K(o=0.77,f=-0.00029) USER MOD Single : A 62 SER OG : rot -103:sc= 1.17 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.607 USER MOD Single : A 68 HIS : no HD1:sc= -0.0527 X(o=-0.053,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.711 USER MOD Single : A 74 THR OG1 : rot 85:sc= 1.13 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -164:sc= 1.38 USER MOD Single : A 79 THR OG1 : rot 107:sc= 1.22 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.0947 X(o=-0.095,f=0) USER MOD Single : A 88 ASN :FLIP amide:sc= -0.371 F(o=-1.6!,f=-0.37) USER MOD Single : A 91 ASN : amide:sc= 1.18 K(o=1.2,f=-1.7!) USER MOD Single : A 96 SER OG : rot 5:sc= 1.22 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0338 USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HE2:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 111 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.041) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 113 HIS : no HD1:sc= -0.0189 X(o=-0.019,f=-0.084) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.862 13.780 -9.109 1.00 0.00 N ATOM 2 CA MET A 1 -13.784 14.586 -8.497 1.00 0.00 C ATOM 3 C MET A 1 -13.404 13.972 -7.153 1.00 0.00 C ATOM 4 O MET A 1 -13.620 14.568 -6.097 1.00 0.00 O ATOM 5 CB MET A 1 -14.250 16.036 -8.315 1.00 0.00 C ATOM 6 CG MET A 1 -13.163 17.076 -8.546 1.00 0.00 C ATOM 7 SD MET A 1 -11.785 16.932 -7.394 1.00 0.00 S ATOM 8 CE MET A 1 -10.709 18.237 -7.987 1.00 0.00 C ATOM 0 H1 MET A 1 -15.126 14.193 -10.026 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.529 12.805 -9.251 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.691 13.774 -8.480 1.00 0.00 H new ATOM 0 HA MET A 1 -12.911 14.588 -9.149 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.074 16.230 -9.002 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.642 16.155 -7.305 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.788 16.980 -9.565 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.598 18.072 -8.459 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.809 18.274 -7.373 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.433 18.039 -9.023 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.229 19.193 -7.927 1.00 0.00 H new ATOM 20 N ILE A 2 -12.879 12.755 -7.203 1.00 0.00 N ATOM 21 CA ILE A 2 -12.553 12.002 -5.999 1.00 0.00 C ATOM 22 C ILE A 2 -11.282 11.172 -6.220 1.00 0.00 C ATOM 23 O ILE A 2 -11.012 10.745 -7.346 1.00 0.00 O ATOM 24 CB ILE A 2 -13.745 11.086 -5.606 1.00 0.00 C ATOM 25 CG1 ILE A 2 -13.493 10.379 -4.271 1.00 0.00 C ATOM 26 CG2 ILE A 2 -14.020 10.070 -6.707 1.00 0.00 C ATOM 27 CD1 ILE A 2 -14.697 9.631 -3.740 1.00 0.00 C ATOM 0 H ILE A 2 -12.668 12.265 -8.072 1.00 0.00 H new ATOM 0 HA ILE A 2 -12.368 12.700 -5.183 1.00 0.00 H new ATOM 0 HB ILE A 2 -14.625 11.718 -5.484 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -12.666 9.679 -4.391 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -13.181 11.117 -3.533 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -14.858 9.436 -6.416 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -14.264 10.593 -7.632 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -13.135 9.453 -6.862 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -14.442 9.157 -2.792 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -15.520 10.329 -3.586 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -14.997 8.868 -4.458 1.00 0.00 H new ATOM 39 N PRO A 3 -10.452 10.985 -5.176 1.00 0.00 N ATOM 40 CA PRO A 3 -9.276 10.111 -5.253 1.00 0.00 C ATOM 41 C PRO A 3 -9.647 8.663 -5.563 1.00 0.00 C ATOM 42 O PRO A 3 -10.592 8.116 -4.994 1.00 0.00 O ATOM 43 CB PRO A 3 -8.655 10.195 -3.856 1.00 0.00 C ATOM 44 CG PRO A 3 -9.202 11.445 -3.261 1.00 0.00 C ATOM 45 CD PRO A 3 -10.568 11.626 -3.855 1.00 0.00 C ATOM 0 HA PRO A 3 -8.605 10.424 -6.053 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.918 9.325 -3.255 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.567 10.228 -3.910 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.256 11.368 -2.175 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.562 12.297 -3.489 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.338 11.153 -3.245 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.832 12.680 -3.941 1.00 0.00 H new ATOM 53 N ASP A 4 -8.894 8.048 -6.456 1.00 0.00 N ATOM 54 CA ASP A 4 -9.098 6.653 -6.807 1.00 0.00 C ATOM 55 C ASP A 4 -7.847 5.877 -6.416 1.00 0.00 C ATOM 56 O ASP A 4 -6.912 5.738 -7.206 1.00 0.00 O ATOM 57 CB ASP A 4 -9.389 6.523 -8.307 1.00 0.00 C ATOM 58 CG ASP A 4 -10.001 5.188 -8.694 1.00 0.00 C ATOM 59 OD1 ASP A 4 -11.239 5.047 -8.590 1.00 0.00 O ATOM 60 OD2 ASP A 4 -9.260 4.298 -9.152 1.00 0.00 O ATOM 0 H ASP A 4 -8.127 8.498 -6.957 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.957 6.246 -6.273 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.064 7.324 -8.608 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.461 6.663 -8.862 1.00 0.00 H new ATOM 65 N LEU A 5 -7.811 5.435 -5.166 1.00 0.00 N ATOM 66 CA LEU A 5 -6.605 4.854 -4.588 1.00 0.00 C ATOM 67 C LEU A 5 -6.456 3.393 -4.974 1.00 0.00 C ATOM 68 O LEU A 5 -7.184 2.532 -4.487 1.00 0.00 O ATOM 69 CB LEU A 5 -6.622 4.996 -3.065 1.00 0.00 C ATOM 70 CG LEU A 5 -6.701 6.434 -2.546 1.00 0.00 C ATOM 71 CD1 LEU A 5 -6.686 6.451 -1.027 1.00 0.00 C ATOM 72 CD2 LEU A 5 -5.556 7.268 -3.098 1.00 0.00 C ATOM 0 H LEU A 5 -8.607 5.468 -4.529 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.749 5.399 -4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -7.473 4.438 -2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -5.723 4.530 -2.662 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.639 6.871 -2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.743 7.481 -0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.540 5.890 -0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.764 5.994 -0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.631 8.286 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.606 6.833 -2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.609 7.283 -4.187 1.00 0.00 H new ATOM 84 N VAL A 6 -5.503 3.122 -5.846 1.00 0.00 N ATOM 85 CA VAL A 6 -5.287 1.779 -6.347 1.00 0.00 C ATOM 86 C VAL A 6 -3.856 1.321 -6.083 1.00 0.00 C ATOM 87 O VAL A 6 -2.917 1.816 -6.708 1.00 0.00 O ATOM 88 CB VAL A 6 -5.556 1.698 -7.866 1.00 0.00 C ATOM 89 CG1 VAL A 6 -5.549 0.252 -8.339 1.00 0.00 C ATOM 90 CG2 VAL A 6 -6.866 2.381 -8.229 1.00 0.00 C ATOM 0 H VAL A 6 -4.862 3.820 -6.224 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.985 1.128 -5.820 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.752 2.227 -8.377 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.741 0.219 -9.412 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.577 -0.194 -8.130 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.325 -0.306 -7.815 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.029 2.308 -9.304 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.688 1.894 -7.704 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.821 3.431 -7.939 1.00 0.00 H new ATOM 100 N PRO A 7 -3.660 0.414 -5.115 1.00 0.00 N ATOM 101 CA PRO A 7 -2.392 -0.290 -4.949 1.00 0.00 C ATOM 102 C PRO A 7 -2.029 -1.043 -6.225 1.00 0.00 C ATOM 103 O PRO A 7 -2.767 -1.918 -6.681 1.00 0.00 O ATOM 104 CB PRO A 7 -2.646 -1.261 -3.788 1.00 0.00 C ATOM 105 CG PRO A 7 -4.127 -1.295 -3.614 1.00 0.00 C ATOM 106 CD PRO A 7 -4.636 0.034 -4.091 1.00 0.00 C ATOM 0 HA PRO A 7 -1.559 0.384 -4.746 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.254 -2.253 -4.013 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -2.152 -0.922 -2.878 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.568 -2.110 -4.189 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.392 -1.461 -2.570 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.642 -0.044 -4.502 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.677 0.764 -3.283 1.00 0.00 H new ATOM 114 N VAL A 8 -0.896 -0.687 -6.798 1.00 0.00 N ATOM 115 CA VAL A 8 -0.525 -1.154 -8.126 1.00 0.00 C ATOM 116 C VAL A 8 0.326 -2.414 -8.046 1.00 0.00 C ATOM 117 O VAL A 8 0.004 -3.434 -8.656 1.00 0.00 O ATOM 118 CB VAL A 8 0.250 -0.063 -8.898 1.00 0.00 C ATOM 119 CG1 VAL A 8 0.301 -0.374 -10.383 1.00 0.00 C ATOM 120 CG2 VAL A 8 -0.366 1.303 -8.668 1.00 0.00 C ATOM 0 H VAL A 8 -0.209 -0.071 -6.363 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.448 -1.382 -8.659 1.00 0.00 H new ATOM 0 HB VAL A 8 1.271 -0.051 -8.516 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.853 0.411 -10.900 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.800 -1.331 -10.537 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.713 -0.426 -10.779 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.197 2.054 -9.222 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.400 1.298 -9.012 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.338 1.540 -7.604 1.00 0.00 H new ATOM 130 N SER A 9 1.412 -2.344 -7.291 1.00 0.00 N ATOM 131 CA SER A 9 2.323 -3.467 -7.183 1.00 0.00 C ATOM 132 C SER A 9 3.031 -3.489 -5.837 1.00 0.00 C ATOM 133 O SER A 9 3.186 -2.454 -5.182 1.00 0.00 O ATOM 134 CB SER A 9 3.344 -3.422 -8.321 1.00 0.00 C ATOM 135 OG SER A 9 3.938 -2.138 -8.438 1.00 0.00 O ATOM 0 H SER A 9 1.681 -1.524 -6.747 1.00 0.00 H new ATOM 0 HA SER A 9 1.737 -4.383 -7.260 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.119 -4.168 -8.145 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.856 -3.685 -9.259 1.00 0.00 H new ATOM 0 HG SER A 9 4.586 -2.143 -9.173 1.00 0.00 H new ATOM 141 N LEU A 10 3.443 -4.680 -5.433 1.00 0.00 N ATOM 142 CA LEU A 10 4.189 -4.872 -4.203 1.00 0.00 C ATOM 143 C LEU A 10 5.526 -5.532 -4.512 1.00 0.00 C ATOM 144 O LEU A 10 5.580 -6.698 -4.901 1.00 0.00 O ATOM 145 CB LEU A 10 3.382 -5.735 -3.229 1.00 0.00 C ATOM 146 CG LEU A 10 4.125 -6.177 -1.966 1.00 0.00 C ATOM 147 CD1 LEU A 10 4.481 -4.988 -1.089 1.00 0.00 C ATOM 148 CD2 LEU A 10 3.291 -7.177 -1.190 1.00 0.00 C ATOM 0 H LEU A 10 3.268 -5.541 -5.951 1.00 0.00 H new ATOM 0 HA LEU A 10 4.372 -3.903 -3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.493 -5.180 -2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.040 -6.625 -3.758 1.00 0.00 H new ATOM 0 HG LEU A 10 5.056 -6.655 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.008 -5.336 -0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.121 -4.304 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.570 -4.470 -0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.831 -7.483 -0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.345 -6.718 -0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.097 -8.050 -1.813 1.00 0.00 H new ATOM 160 N THR A 11 6.601 -4.782 -4.359 1.00 0.00 N ATOM 161 CA THR A 11 7.926 -5.290 -4.656 1.00 0.00 C ATOM 162 C THR A 11 8.803 -5.290 -3.407 1.00 0.00 C ATOM 163 O THR A 11 8.689 -4.404 -2.561 1.00 0.00 O ATOM 164 CB THR A 11 8.598 -4.458 -5.767 1.00 0.00 C ATOM 165 OG1 THR A 11 8.437 -3.057 -5.499 1.00 0.00 O ATOM 166 CG2 THR A 11 8.006 -4.792 -7.128 1.00 0.00 C ATOM 0 H THR A 11 6.582 -3.817 -4.030 1.00 0.00 H new ATOM 0 HA THR A 11 7.815 -6.317 -5.005 1.00 0.00 H new ATOM 0 HB THR A 11 9.660 -4.704 -5.781 1.00 0.00 H new ATOM 0 HG1 THR A 11 8.868 -2.537 -6.209 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.496 -4.192 -7.895 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.159 -5.850 -7.342 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.938 -4.573 -7.124 1.00 0.00 H new ATOM 174 N PRO A 12 9.673 -6.298 -3.260 1.00 0.00 N ATOM 175 CA PRO A 12 9.783 -7.406 -4.201 1.00 0.00 C ATOM 176 C PRO A 12 8.845 -8.563 -3.852 1.00 0.00 C ATOM 177 O PRO A 12 8.387 -8.678 -2.718 1.00 0.00 O ATOM 178 CB PRO A 12 11.242 -7.823 -4.037 1.00 0.00 C ATOM 179 CG PRO A 12 11.567 -7.532 -2.608 1.00 0.00 C ATOM 180 CD PRO A 12 10.640 -6.427 -2.157 1.00 0.00 C ATOM 0 HA PRO A 12 9.506 -7.127 -5.218 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.379 -8.880 -4.266 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.891 -7.264 -4.711 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.433 -8.422 -1.994 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.608 -7.227 -2.504 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.144 -6.680 -1.220 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.181 -5.496 -1.990 1.00 0.00 H new ATOM 188 N VAL A 13 8.573 -9.422 -4.825 1.00 0.00 N ATOM 189 CA VAL A 13 7.687 -10.564 -4.612 1.00 0.00 C ATOM 190 C VAL A 13 8.426 -11.725 -3.947 1.00 0.00 C ATOM 191 O VAL A 13 7.880 -12.818 -3.788 1.00 0.00 O ATOM 192 CB VAL A 13 7.049 -11.046 -5.932 1.00 0.00 C ATOM 193 CG1 VAL A 13 6.169 -9.957 -6.528 1.00 0.00 C ATOM 194 CG2 VAL A 13 8.116 -11.479 -6.928 1.00 0.00 C ATOM 0 H VAL A 13 8.952 -9.352 -5.770 1.00 0.00 H new ATOM 0 HA VAL A 13 6.893 -10.223 -3.948 1.00 0.00 H new ATOM 0 HB VAL A 13 6.425 -11.912 -5.710 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.727 -10.314 -7.458 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.376 -9.704 -5.824 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.772 -9.072 -6.729 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.639 -11.814 -7.849 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.774 -10.638 -7.145 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.700 -12.296 -6.504 1.00 0.00 H new ATOM 204 N THR A 14 9.669 -11.482 -3.565 1.00 0.00 N ATOM 205 CA THR A 14 10.468 -12.468 -2.859 1.00 0.00 C ATOM 206 C THR A 14 11.316 -11.770 -1.796 1.00 0.00 C ATOM 207 O THR A 14 11.992 -10.784 -2.091 1.00 0.00 O ATOM 208 CB THR A 14 11.378 -13.245 -3.830 1.00 0.00 C ATOM 209 OG1 THR A 14 11.068 -12.896 -5.189 1.00 0.00 O ATOM 210 CG2 THR A 14 11.210 -14.743 -3.650 1.00 0.00 C ATOM 0 H THR A 14 10.150 -10.599 -3.735 1.00 0.00 H new ATOM 0 HA THR A 14 9.795 -13.182 -2.383 1.00 0.00 H new ATOM 0 HB THR A 14 12.410 -12.975 -3.608 1.00 0.00 H new ATOM 0 HG1 THR A 14 11.654 -13.394 -5.796 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.863 -15.269 -4.347 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.472 -15.018 -2.629 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.174 -15.019 -3.845 1.00 0.00 H new ATOM 218 N VAL A 15 11.276 -12.269 -0.565 1.00 0.00 N ATOM 219 CA VAL A 15 11.904 -11.575 0.557 1.00 0.00 C ATOM 220 C VAL A 15 12.950 -12.441 1.248 1.00 0.00 C ATOM 221 O VAL A 15 12.866 -13.669 1.224 1.00 0.00 O ATOM 222 CB VAL A 15 10.850 -11.131 1.591 1.00 0.00 C ATOM 223 CG1 VAL A 15 9.972 -10.030 1.019 1.00 0.00 C ATOM 224 CG2 VAL A 15 9.998 -12.316 2.033 1.00 0.00 C ATOM 0 H VAL A 15 10.818 -13.146 -0.318 1.00 0.00 H new ATOM 0 HA VAL A 15 12.400 -10.697 0.143 1.00 0.00 H new ATOM 0 HB VAL A 15 11.372 -10.738 2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.234 -9.730 1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.590 -9.172 0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.461 -10.398 0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.260 -11.982 2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.487 -12.739 1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.637 -13.075 2.484 1.00 0.00 H new ATOM 234 N VAL A 16 13.933 -11.796 1.870 1.00 0.00 N ATOM 235 CA VAL A 16 15.001 -12.510 2.559 1.00 0.00 C ATOM 236 C VAL A 16 14.547 -12.889 3.973 1.00 0.00 C ATOM 237 O VAL A 16 14.374 -12.017 4.828 1.00 0.00 O ATOM 238 CB VAL A 16 16.295 -11.667 2.640 1.00 0.00 C ATOM 239 CG1 VAL A 16 17.500 -12.561 2.881 1.00 0.00 C ATOM 240 CG2 VAL A 16 16.485 -10.837 1.378 1.00 0.00 C ATOM 0 H VAL A 16 14.011 -10.780 1.910 1.00 0.00 H new ATOM 0 HA VAL A 16 15.221 -13.410 1.985 1.00 0.00 H new ATOM 0 HB VAL A 16 16.201 -10.982 3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 16 18.401 -11.950 2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 16 17.371 -13.101 3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 16 17.594 -13.274 2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.402 -10.254 1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 16 16.552 -11.498 0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 16 15.637 -10.164 1.254 1.00 0.00 H new ATOM 250 N PRO A 17 14.343 -14.192 4.238 1.00 0.00 N ATOM 251 CA PRO A 17 13.759 -14.677 5.495 1.00 0.00 C ATOM 252 C PRO A 17 14.750 -14.731 6.654 1.00 0.00 C ATOM 253 O PRO A 17 14.971 -15.795 7.234 1.00 0.00 O ATOM 254 CB PRO A 17 13.298 -16.103 5.156 1.00 0.00 C ATOM 255 CG PRO A 17 13.599 -16.309 3.705 1.00 0.00 C ATOM 256 CD PRO A 17 14.651 -15.307 3.340 1.00 0.00 C ATOM 0 HA PRO A 17 12.968 -14.007 5.831 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.821 -16.837 5.769 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.233 -16.224 5.353 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.951 -17.324 3.523 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.703 -16.169 3.100 1.00 0.00 H new ATOM 0 HD2 PRO A 17 15.656 -15.695 3.503 1.00 0.00 H new ATOM 0 HD3 PRO A 17 14.588 -15.015 2.292 1.00 0.00 H new ATOM 264 N ASN A 18 15.349 -13.600 6.994 1.00 0.00 N ATOM 265 CA ASN A 18 16.261 -13.547 8.137 1.00 0.00 C ATOM 266 C ASN A 18 16.508 -12.113 8.604 1.00 0.00 C ATOM 267 O ASN A 18 17.410 -11.863 9.404 1.00 0.00 O ATOM 268 CB ASN A 18 17.597 -14.217 7.787 1.00 0.00 C ATOM 269 CG ASN A 18 18.381 -13.465 6.728 1.00 0.00 C ATOM 270 OD1 ASN A 18 17.817 -12.758 5.897 1.00 0.00 O ATOM 271 ND2 ASN A 18 19.689 -13.627 6.742 1.00 0.00 N ATOM 0 H ASN A 18 15.225 -12.714 6.504 1.00 0.00 H new ATOM 0 HA ASN A 18 15.786 -14.088 8.955 1.00 0.00 H new ATOM 0 HB2 ASN A 18 18.203 -14.299 8.689 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.407 -15.232 7.438 1.00 0.00 H new ATOM 0 HD21 ASN A 18 20.269 -13.157 6.047 1.00 0.00 H new ATOM 0 HD22 ASN A 18 20.122 -14.222 7.448 1.00 0.00 H new ATOM 278 N THR A 19 15.696 -11.179 8.134 1.00 0.00 N ATOM 279 CA THR A 19 15.888 -9.780 8.475 1.00 0.00 C ATOM 280 C THR A 19 14.617 -8.984 8.189 1.00 0.00 C ATOM 281 O THR A 19 13.611 -9.542 7.734 1.00 0.00 O ATOM 282 CB THR A 19 17.083 -9.177 7.693 1.00 0.00 C ATOM 283 OG1 THR A 19 17.379 -7.854 8.165 1.00 0.00 O ATOM 284 CG2 THR A 19 16.797 -9.137 6.196 1.00 0.00 C ATOM 0 H THR A 19 14.903 -11.363 7.519 1.00 0.00 H new ATOM 0 HA THR A 19 16.111 -9.719 9.540 1.00 0.00 H new ATOM 0 HB THR A 19 17.947 -9.819 7.864 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.137 -7.489 7.662 1.00 0.00 H new ATOM 0 HG21 THR A 19 17.653 -8.709 5.673 1.00 0.00 H new ATOM 0 HG22 THR A 19 16.619 -10.149 5.832 1.00 0.00 H new ATOM 0 HG23 THR A 19 15.915 -8.524 6.010 1.00 0.00 H new ATOM 292 N VAL A 20 14.662 -7.692 8.475 1.00 0.00 N ATOM 293 CA VAL A 20 13.551 -6.806 8.181 1.00 0.00 C ATOM 294 C VAL A 20 13.644 -6.349 6.736 1.00 0.00 C ATOM 295 O VAL A 20 14.632 -5.740 6.331 1.00 0.00 O ATOM 296 CB VAL A 20 13.537 -5.569 9.103 1.00 0.00 C ATOM 297 CG1 VAL A 20 12.300 -4.718 8.847 1.00 0.00 C ATOM 298 CG2 VAL A 20 13.606 -5.986 10.562 1.00 0.00 C ATOM 0 H VAL A 20 15.461 -7.234 8.913 1.00 0.00 H new ATOM 0 HA VAL A 20 12.629 -7.361 8.352 1.00 0.00 H new ATOM 0 HB VAL A 20 14.417 -4.968 8.877 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.311 -3.852 9.508 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.297 -4.383 7.810 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.405 -5.310 9.040 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.595 -5.099 11.195 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.748 -6.614 10.802 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.525 -6.545 10.737 1.00 0.00 H new ATOM 308 N ASN A 21 12.627 -6.658 5.962 1.00 0.00 N ATOM 309 CA ASN A 21 12.617 -6.320 4.552 1.00 0.00 C ATOM 310 C ASN A 21 11.783 -5.077 4.316 1.00 0.00 C ATOM 311 O ASN A 21 10.570 -5.076 4.542 1.00 0.00 O ATOM 312 CB ASN A 21 12.080 -7.488 3.722 1.00 0.00 C ATOM 313 CG ASN A 21 13.078 -8.627 3.597 1.00 0.00 C ATOM 314 OD1 ASN A 21 13.824 -8.712 2.621 1.00 0.00 O ATOM 315 ND2 ASN A 21 13.115 -9.496 4.594 1.00 0.00 N ATOM 0 H ASN A 21 11.791 -7.145 6.285 1.00 0.00 H new ATOM 0 HA ASN A 21 13.641 -6.118 4.238 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.164 -7.862 4.179 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.817 -7.130 2.727 1.00 0.00 H new ATOM 0 HD21 ASN A 21 13.778 -10.271 4.571 1.00 0.00 H new ATOM 0 HD22 ASN A 21 12.480 -9.391 5.386 1.00 0.00 H new ATOM 322 N THR A 22 12.440 -4.013 3.889 1.00 0.00 N ATOM 323 CA THR A 22 11.752 -2.785 3.557 1.00 0.00 C ATOM 324 C THR A 22 11.134 -2.911 2.167 1.00 0.00 C ATOM 325 O THR A 22 11.778 -2.634 1.153 1.00 0.00 O ATOM 326 CB THR A 22 12.709 -1.575 3.614 1.00 0.00 C ATOM 327 OG1 THR A 22 13.367 -1.539 4.892 1.00 0.00 O ATOM 328 CG2 THR A 22 11.959 -0.269 3.401 1.00 0.00 C ATOM 0 H THR A 22 13.452 -3.978 3.765 1.00 0.00 H new ATOM 0 HA THR A 22 10.964 -2.616 4.291 1.00 0.00 H new ATOM 0 HB THR A 22 13.443 -1.687 2.816 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.975 -0.771 4.925 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.660 0.565 3.447 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.475 -0.283 2.425 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.204 -0.152 4.179 1.00 0.00 H new ATOM 336 N MET A 23 9.897 -3.387 2.137 1.00 0.00 N ATOM 337 CA MET A 23 9.205 -3.645 0.883 1.00 0.00 C ATOM 338 C MET A 23 8.494 -2.402 0.393 1.00 0.00 C ATOM 339 O MET A 23 8.106 -1.548 1.186 1.00 0.00 O ATOM 340 CB MET A 23 8.199 -4.780 1.048 1.00 0.00 C ATOM 341 CG MET A 23 8.836 -6.107 1.414 1.00 0.00 C ATOM 342 SD MET A 23 7.639 -7.447 1.474 1.00 0.00 S ATOM 343 CE MET A 23 7.062 -7.444 -0.220 1.00 0.00 C ATOM 0 H MET A 23 9.351 -3.603 2.971 1.00 0.00 H new ATOM 0 HA MET A 23 9.952 -3.936 0.145 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.479 -4.507 1.819 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.641 -4.898 0.119 1.00 0.00 H new ATOM 0 HG2 MET A 23 9.611 -6.348 0.687 1.00 0.00 H new ATOM 0 HG3 MET A 23 9.326 -6.017 2.384 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.008 -7.166 -0.245 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.641 -6.726 -0.800 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.185 -8.439 -0.648 1.00 0.00 H new ATOM 353 N THR A 24 8.308 -2.320 -0.909 1.00 0.00 N ATOM 354 CA THR A 24 7.742 -1.143 -1.530 1.00 0.00 C ATOM 355 C THR A 24 6.398 -1.453 -2.185 1.00 0.00 C ATOM 356 O THR A 24 6.326 -2.210 -3.156 1.00 0.00 O ATOM 357 CB THR A 24 8.706 -0.595 -2.594 1.00 0.00 C ATOM 358 OG1 THR A 24 10.037 -0.529 -2.063 1.00 0.00 O ATOM 359 CG2 THR A 24 8.278 0.783 -3.058 1.00 0.00 C ATOM 0 H THR A 24 8.545 -3.066 -1.563 1.00 0.00 H new ATOM 0 HA THR A 24 7.586 -0.398 -0.750 1.00 0.00 H new ATOM 0 HB THR A 24 8.685 -1.271 -3.449 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.064 0.117 -1.327 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.977 1.147 -3.811 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.278 0.728 -3.488 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.270 1.467 -2.209 1.00 0.00 H new ATOM 367 N ALA A 25 5.334 -0.883 -1.638 1.00 0.00 N ATOM 368 CA ALA A 25 4.021 -0.989 -2.243 1.00 0.00 C ATOM 369 C ALA A 25 3.691 0.297 -2.978 1.00 0.00 C ATOM 370 O ALA A 25 3.583 1.362 -2.373 1.00 0.00 O ATOM 371 CB ALA A 25 2.964 -1.290 -1.195 1.00 0.00 C ATOM 0 H ALA A 25 5.358 -0.342 -0.774 1.00 0.00 H new ATOM 0 HA ALA A 25 4.030 -1.814 -2.955 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.988 -1.365 -1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.199 -2.233 -0.701 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.945 -0.489 -0.456 1.00 0.00 H new ATOM 377 N THR A 26 3.546 0.195 -4.281 1.00 0.00 N ATOM 378 CA THR A 26 3.260 1.352 -5.103 1.00 0.00 C ATOM 379 C THR A 26 1.762 1.639 -5.104 1.00 0.00 C ATOM 380 O THR A 26 0.973 0.877 -5.660 1.00 0.00 O ATOM 381 CB THR A 26 3.753 1.126 -6.546 1.00 0.00 C ATOM 382 OG1 THR A 26 5.132 0.726 -6.522 1.00 0.00 O ATOM 383 CG2 THR A 26 3.606 2.390 -7.379 1.00 0.00 C ATOM 0 H THR A 26 3.622 -0.682 -4.797 1.00 0.00 H new ATOM 0 HA THR A 26 3.786 2.210 -4.685 1.00 0.00 H new ATOM 0 HB THR A 26 3.144 0.344 -6.999 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.692 1.496 -6.289 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.961 2.202 -8.392 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.557 2.685 -7.411 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.194 3.191 -6.931 1.00 0.00 H new ATOM 391 N ILE A 27 1.378 2.720 -4.444 1.00 0.00 N ATOM 392 CA ILE A 27 -0.019 3.115 -4.366 1.00 0.00 C ATOM 393 C ILE A 27 -0.271 4.274 -5.317 1.00 0.00 C ATOM 394 O ILE A 27 0.327 5.339 -5.170 1.00 0.00 O ATOM 395 CB ILE A 27 -0.403 3.545 -2.933 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.069 2.510 -1.904 1.00 0.00 C ATOM 397 CG2 ILE A 27 -1.905 3.766 -2.822 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.426 1.102 -2.157 1.00 0.00 C ATOM 0 H ILE A 27 2.019 3.343 -3.952 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.630 2.256 -4.644 1.00 0.00 H new ATOM 0 HB ILE A 27 0.099 4.488 -2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.159 2.501 -1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.260 2.825 -0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.154 4.068 -1.805 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.210 4.548 -3.518 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.428 2.841 -3.064 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.044 0.437 -1.382 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.516 1.091 -2.140 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.075 0.762 -3.131 1.00 0.00 H new ATOM 410 N GLU A 28 -1.133 4.073 -6.299 1.00 0.00 N ATOM 411 CA GLU A 28 -1.388 5.107 -7.287 1.00 0.00 C ATOM 412 C GLU A 28 -2.792 5.676 -7.142 1.00 0.00 C ATOM 413 O GLU A 28 -3.760 4.941 -6.955 1.00 0.00 O ATOM 414 CB GLU A 28 -1.170 4.554 -8.696 1.00 0.00 C ATOM 415 CG GLU A 28 -1.375 5.582 -9.792 1.00 0.00 C ATOM 416 CD GLU A 28 -0.827 5.132 -11.125 1.00 0.00 C ATOM 417 OE1 GLU A 28 -1.567 4.486 -11.891 1.00 0.00 O ATOM 418 OE2 GLU A 28 0.349 5.435 -11.417 1.00 0.00 O ATOM 0 H GLU A 28 -1.663 3.212 -6.433 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.684 5.922 -7.117 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.158 4.156 -8.768 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.853 3.720 -8.859 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.440 5.791 -9.894 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.893 6.516 -9.503 1.00 0.00 H new ATOM 425 N ASN A 29 -2.883 6.994 -7.210 1.00 0.00 N ATOM 426 CA ASN A 29 -4.160 7.686 -7.164 1.00 0.00 C ATOM 427 C ASN A 29 -4.612 8.003 -8.579 1.00 0.00 C ATOM 428 O ASN A 29 -4.211 9.012 -9.157 1.00 0.00 O ATOM 429 CB ASN A 29 -4.036 8.973 -6.339 1.00 0.00 C ATOM 430 CG ASN A 29 -5.286 9.835 -6.364 1.00 0.00 C ATOM 431 OD1 ASN A 29 -6.400 9.343 -6.537 1.00 0.00 O ATOM 432 ND2 ASN A 29 -5.104 11.134 -6.178 1.00 0.00 N ATOM 0 H ASN A 29 -2.077 7.612 -7.298 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.902 7.045 -6.687 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.806 8.712 -5.306 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.195 9.556 -6.715 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.905 11.766 -6.175 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.163 11.502 -6.038 1.00 0.00 H new ATOM 439 N GLN A 30 -5.437 7.134 -9.140 1.00 0.00 N ATOM 440 CA GLN A 30 -5.859 7.268 -10.526 1.00 0.00 C ATOM 441 C GLN A 30 -7.099 8.148 -10.625 1.00 0.00 C ATOM 442 O GLN A 30 -8.084 7.796 -11.273 1.00 0.00 O ATOM 443 CB GLN A 30 -6.124 5.892 -11.136 1.00 0.00 C ATOM 444 CG GLN A 30 -4.949 4.937 -10.994 1.00 0.00 C ATOM 445 CD GLN A 30 -5.112 3.675 -11.815 1.00 0.00 C ATOM 446 OE1 GLN A 30 -6.227 3.226 -12.082 1.00 0.00 O ATOM 447 NE2 GLN A 30 -3.994 3.099 -12.232 1.00 0.00 N ATOM 0 H GLN A 30 -5.829 6.326 -8.656 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.057 7.746 -11.088 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.000 5.453 -10.659 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.362 6.010 -12.193 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.035 5.446 -11.298 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.830 4.669 -9.944 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.090 3.504 -11.988 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.037 2.251 -12.797 1.00 0.00 H new ATOM 456 N GLY A 31 -7.017 9.315 -10.008 1.00 0.00 N ATOM 457 CA GLY A 31 -8.130 10.236 -10.000 1.00 0.00 C ATOM 458 C GLY A 31 -7.654 11.669 -10.066 1.00 0.00 C ATOM 459 O GLY A 31 -6.465 11.938 -9.888 1.00 0.00 O ATOM 0 H GLY A 31 -6.190 9.642 -9.508 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.784 10.028 -10.847 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.722 10.088 -9.097 1.00 0.00 H new ATOM 463 N ASN A 32 -8.577 12.588 -10.308 1.00 0.00 N ATOM 464 CA ASN A 32 -8.226 13.988 -10.543 1.00 0.00 C ATOM 465 C ASN A 32 -8.153 14.775 -9.239 1.00 0.00 C ATOM 466 O ASN A 32 -7.832 15.963 -9.237 1.00 0.00 O ATOM 467 CB ASN A 32 -9.239 14.642 -11.493 1.00 0.00 C ATOM 468 CG ASN A 32 -10.628 14.786 -10.888 1.00 0.00 C ATOM 469 OD1 ASN A 32 -11.046 13.993 -10.042 1.00 0.00 O ATOM 470 ND2 ASN A 32 -11.359 15.796 -11.331 1.00 0.00 N ATOM 0 H ASN A 32 -9.577 12.393 -10.348 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.238 14.006 -11.003 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -8.872 15.627 -11.781 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.307 14.048 -12.404 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -12.303 15.939 -10.971 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -10.979 16.432 -12.032 1.00 0.00 H new ATOM 477 N LYS A 33 -8.447 14.114 -8.132 1.00 0.00 N ATOM 478 CA LYS A 33 -8.399 14.762 -6.835 1.00 0.00 C ATOM 479 C LYS A 33 -7.253 14.206 -6.007 1.00 0.00 C ATOM 480 O LYS A 33 -7.106 12.990 -5.870 1.00 0.00 O ATOM 481 CB LYS A 33 -9.727 14.590 -6.097 1.00 0.00 C ATOM 482 CG LYS A 33 -9.785 15.319 -4.763 1.00 0.00 C ATOM 483 CD LYS A 33 -11.197 15.325 -4.206 1.00 0.00 C ATOM 484 CE LYS A 33 -11.267 15.992 -2.844 1.00 0.00 C ATOM 485 NZ LYS A 33 -12.663 16.054 -2.343 1.00 0.00 N ATOM 0 H LYS A 33 -8.721 13.132 -8.107 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.229 15.828 -6.989 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.535 14.951 -6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.904 13.528 -5.928 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.112 14.838 -4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.436 16.344 -4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.858 15.845 -4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.560 14.300 -4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.648 15.441 -2.135 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.857 17.000 -2.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.677 16.515 -1.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.247 16.600 -3.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.045 15.090 -2.258 1.00 0.00 H new ATOM 499 N ASP A 34 -6.437 15.103 -5.480 1.00 0.00 N ATOM 500 CA ASP A 34 -5.299 14.726 -4.654 1.00 0.00 C ATOM 501 C ASP A 34 -5.763 14.128 -3.333 1.00 0.00 C ATOM 502 O ASP A 34 -6.673 14.647 -2.683 1.00 0.00 O ATOM 503 CB ASP A 34 -4.399 15.938 -4.397 1.00 0.00 C ATOM 504 CG ASP A 34 -3.714 16.431 -5.657 1.00 0.00 C ATOM 505 OD1 ASP A 34 -4.394 17.019 -6.523 1.00 0.00 O ATOM 506 OD2 ASP A 34 -2.493 16.215 -5.801 1.00 0.00 O ATOM 0 H ASP A 34 -6.542 16.109 -5.611 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.726 13.971 -5.192 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.995 16.745 -3.972 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.644 15.675 -3.656 1.00 0.00 H new ATOM 511 N SER A 35 -5.137 13.030 -2.945 1.00 0.00 N ATOM 512 CA SER A 35 -5.495 12.343 -1.719 1.00 0.00 C ATOM 513 C SER A 35 -4.685 12.895 -0.554 1.00 0.00 C ATOM 514 O SER A 35 -3.492 13.177 -0.691 1.00 0.00 O ATOM 515 CB SER A 35 -5.258 10.838 -1.869 1.00 0.00 C ATOM 516 OG SER A 35 -5.705 10.125 -0.729 1.00 0.00 O ATOM 0 H SER A 35 -4.375 12.595 -3.465 1.00 0.00 H new ATOM 0 HA SER A 35 -6.553 12.509 -1.517 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.779 10.473 -2.755 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.196 10.650 -2.024 1.00 0.00 H new ATOM 0 HG SER A 35 -5.272 9.246 -0.702 1.00 0.00 H new ATOM 522 N THR A 36 -5.335 13.054 0.582 1.00 0.00 N ATOM 523 CA THR A 36 -4.684 13.563 1.772 1.00 0.00 C ATOM 524 C THR A 36 -4.059 12.421 2.578 1.00 0.00 C ATOM 525 O THR A 36 -3.898 11.314 2.060 1.00 0.00 O ATOM 526 CB THR A 36 -5.691 14.354 2.625 1.00 0.00 C ATOM 527 OG1 THR A 36 -7.003 13.790 2.474 1.00 0.00 O ATOM 528 CG2 THR A 36 -5.713 15.818 2.215 1.00 0.00 C ATOM 0 H THR A 36 -6.324 12.835 0.706 1.00 0.00 H new ATOM 0 HA THR A 36 -3.881 14.236 1.472 1.00 0.00 H new ATOM 0 HB THR A 36 -5.384 14.291 3.669 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.641 14.295 3.020 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.432 16.358 2.831 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.721 16.249 2.352 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.001 15.898 1.167 1.00 0.00 H new ATOM 536 N SER A 37 -3.687 12.693 3.826 1.00 0.00 N ATOM 537 CA SER A 37 -3.032 11.703 4.672 1.00 0.00 C ATOM 538 C SER A 37 -3.918 10.480 4.902 1.00 0.00 C ATOM 539 O SER A 37 -5.017 10.587 5.451 1.00 0.00 O ATOM 540 CB SER A 37 -2.650 12.340 6.007 1.00 0.00 C ATOM 541 OG SER A 37 -1.835 13.483 5.801 1.00 0.00 O ATOM 0 H SER A 37 -3.830 13.598 4.275 1.00 0.00 H new ATOM 0 HA SER A 37 -2.133 11.362 4.159 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.551 12.623 6.552 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.119 11.615 6.623 1.00 0.00 H new ATOM 0 HG SER A 37 -1.431 13.440 4.909 1.00 0.00 H new ATOM 547 N PHE A 38 -3.429 9.324 4.476 1.00 0.00 N ATOM 548 CA PHE A 38 -4.156 8.074 4.636 1.00 0.00 C ATOM 549 C PHE A 38 -3.212 6.985 5.138 1.00 0.00 C ATOM 550 O PHE A 38 -1.999 7.068 4.940 1.00 0.00 O ATOM 551 CB PHE A 38 -4.816 7.656 3.312 1.00 0.00 C ATOM 552 CG PHE A 38 -3.846 7.339 2.206 1.00 0.00 C ATOM 553 CD1 PHE A 38 -3.184 8.351 1.526 1.00 0.00 C ATOM 554 CD2 PHE A 38 -3.597 6.026 1.844 1.00 0.00 C ATOM 555 CE1 PHE A 38 -2.293 8.054 0.512 1.00 0.00 C ATOM 556 CE2 PHE A 38 -2.711 5.730 0.830 1.00 0.00 C ATOM 557 CZ PHE A 38 -2.057 6.739 0.166 1.00 0.00 C ATOM 0 H PHE A 38 -2.525 9.227 4.014 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.946 8.219 5.373 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.441 6.781 3.492 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.477 8.457 2.981 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.367 9.382 1.792 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.103 5.224 2.362 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.782 8.850 -0.009 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.530 4.701 0.557 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.360 6.504 -0.625 1.00 0.00 H new ATOM 567 N ASN A 39 -3.762 5.975 5.790 1.00 0.00 N ATOM 568 CA ASN A 39 -2.946 4.918 6.380 1.00 0.00 C ATOM 569 C ASN A 39 -2.911 3.695 5.479 1.00 0.00 C ATOM 570 O ASN A 39 -3.938 3.080 5.229 1.00 0.00 O ATOM 571 CB ASN A 39 -3.497 4.511 7.753 1.00 0.00 C ATOM 572 CG ASN A 39 -3.491 5.638 8.768 1.00 0.00 C ATOM 573 OD1 ASN A 39 -2.502 6.512 8.692 1.00 0.00 O flip ATOM 574 ND2 ASN A 39 -4.364 5.712 9.628 1.00 0.00 N flip ATOM 0 H ASN A 39 -4.766 5.861 5.926 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.935 5.309 6.496 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.517 4.147 7.632 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.906 3.681 8.141 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.112 5.019 9.656 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.341 6.466 10.314 1.00 0.00 H new ATOM 581 N VAL A 40 -1.738 3.337 4.992 1.00 0.00 N ATOM 582 CA VAL A 40 -1.597 2.128 4.200 1.00 0.00 C ATOM 583 C VAL A 40 -0.948 1.035 5.039 1.00 0.00 C ATOM 584 O VAL A 40 0.198 1.156 5.470 1.00 0.00 O ATOM 585 CB VAL A 40 -0.816 2.383 2.882 1.00 0.00 C ATOM 586 CG1 VAL A 40 -0.061 1.148 2.424 1.00 0.00 C ATOM 587 CG2 VAL A 40 -1.780 2.806 1.797 1.00 0.00 C ATOM 0 H VAL A 40 -0.874 3.861 5.129 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.592 1.794 3.904 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.089 3.172 3.075 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.472 1.369 1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.653 0.853 3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.765 0.334 2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.231 2.985 0.872 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.515 2.018 1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.289 3.721 2.099 1.00 0.00 H new ATOM 597 N SER A 41 -1.711 -0.012 5.301 1.00 0.00 N ATOM 598 CA SER A 41 -1.266 -1.085 6.169 1.00 0.00 C ATOM 599 C SER A 41 -1.019 -2.364 5.379 1.00 0.00 C ATOM 600 O SER A 41 -1.799 -2.717 4.489 1.00 0.00 O ATOM 601 CB SER A 41 -2.310 -1.328 7.260 1.00 0.00 C ATOM 602 OG SER A 41 -3.607 -1.464 6.696 1.00 0.00 O ATOM 0 H SER A 41 -2.649 -0.141 4.921 1.00 0.00 H new ATOM 0 HA SER A 41 -0.323 -0.790 6.629 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.055 -2.228 7.819 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.302 -0.500 7.969 1.00 0.00 H new ATOM 0 HG SER A 41 -4.260 -1.620 7.410 1.00 0.00 H new ATOM 608 N LEU A 42 0.061 -3.050 5.708 1.00 0.00 N ATOM 609 CA LEU A 42 0.395 -4.309 5.069 1.00 0.00 C ATOM 610 C LEU A 42 -0.063 -5.472 5.938 1.00 0.00 C ATOM 611 O LEU A 42 0.385 -5.626 7.078 1.00 0.00 O ATOM 612 CB LEU A 42 1.901 -4.404 4.820 1.00 0.00 C ATOM 613 CG LEU A 42 2.357 -5.661 4.079 1.00 0.00 C ATOM 614 CD1 LEU A 42 1.794 -5.682 2.666 1.00 0.00 C ATOM 615 CD2 LEU A 42 3.874 -5.742 4.054 1.00 0.00 C ATOM 0 H LEU A 42 0.727 -2.752 6.421 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.118 -4.356 4.109 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.215 -3.530 4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.416 -4.360 5.780 1.00 0.00 H new ATOM 0 HG LEU A 42 1.976 -6.533 4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.129 -6.584 2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.705 -5.672 2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.144 -4.805 2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.182 -6.643 3.523 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.277 -4.866 3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.253 -5.776 5.075 1.00 0.00 H new ATOM 627 N LEU A 43 -0.970 -6.275 5.407 1.00 0.00 N ATOM 628 CA LEU A 43 -1.484 -7.424 6.128 1.00 0.00 C ATOM 629 C LEU A 43 -0.881 -8.709 5.579 1.00 0.00 C ATOM 630 O LEU A 43 -0.915 -8.958 4.380 1.00 0.00 O ATOM 631 CB LEU A 43 -3.016 -7.496 6.042 1.00 0.00 C ATOM 632 CG LEU A 43 -3.773 -6.271 6.571 1.00 0.00 C ATOM 633 CD1 LEU A 43 -3.881 -5.193 5.507 1.00 0.00 C ATOM 634 CD2 LEU A 43 -5.153 -6.674 7.064 1.00 0.00 C ATOM 0 H LEU A 43 -1.366 -6.150 4.475 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.201 -7.310 7.175 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.296 -7.650 5.000 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.351 -8.373 6.595 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.209 -5.860 7.408 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.422 -4.337 5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.882 -4.880 5.203 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.416 -5.587 4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.678 -5.794 7.436 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.719 -7.113 6.243 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.054 -7.404 7.867 1.00 0.00 H new ATOM 646 N VAL A 44 -0.325 -9.516 6.462 1.00 0.00 N ATOM 647 CA VAL A 44 0.232 -10.803 6.083 1.00 0.00 C ATOM 648 C VAL A 44 -0.760 -11.909 6.405 1.00 0.00 C ATOM 649 O VAL A 44 -0.954 -12.262 7.570 1.00 0.00 O ATOM 650 CB VAL A 44 1.570 -11.081 6.800 1.00 0.00 C ATOM 651 CG1 VAL A 44 2.087 -12.469 6.459 1.00 0.00 C ATOM 652 CG2 VAL A 44 2.600 -10.027 6.431 1.00 0.00 C ATOM 0 H VAL A 44 -0.246 -9.301 7.456 1.00 0.00 H new ATOM 0 HA VAL A 44 0.425 -10.778 5.011 1.00 0.00 H new ATOM 0 HB VAL A 44 1.396 -11.036 7.875 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.031 -12.643 6.976 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.358 -13.216 6.774 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.243 -12.545 5.383 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.537 -10.238 6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.766 -10.042 5.354 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.237 -9.043 6.729 1.00 0.00 H new ATOM 662 N ASP A 45 -1.423 -12.408 5.364 1.00 0.00 N ATOM 663 CA ASP A 45 -2.406 -13.486 5.488 1.00 0.00 C ATOM 664 C ASP A 45 -3.561 -13.090 6.407 1.00 0.00 C ATOM 665 O ASP A 45 -4.312 -13.943 6.880 1.00 0.00 O ATOM 666 CB ASP A 45 -1.746 -14.783 5.981 1.00 0.00 C ATOM 667 CG ASP A 45 -0.904 -15.458 4.912 1.00 0.00 C ATOM 668 OD1 ASP A 45 0.295 -15.130 4.789 1.00 0.00 O ATOM 669 OD2 ASP A 45 -1.439 -16.321 4.181 1.00 0.00 O ATOM 0 H ASP A 45 -1.295 -12.077 4.408 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.816 -13.666 4.494 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.119 -14.561 6.844 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.519 -15.473 6.318 1.00 0.00 H new ATOM 674 N GLY A 46 -3.713 -11.792 6.643 1.00 0.00 N ATOM 675 CA GLY A 46 -4.810 -11.311 7.457 1.00 0.00 C ATOM 676 C GLY A 46 -4.351 -10.484 8.643 1.00 0.00 C ATOM 677 O GLY A 46 -5.088 -9.627 9.127 1.00 0.00 O ATOM 0 H GLY A 46 -3.095 -11.065 6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.477 -10.710 6.839 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.388 -12.162 7.817 1.00 0.00 H new ATOM 681 N ILE A 47 -3.138 -10.735 9.119 1.00 0.00 N ATOM 682 CA ILE A 47 -2.620 -10.018 10.282 1.00 0.00 C ATOM 683 C ILE A 47 -1.851 -8.782 9.837 1.00 0.00 C ATOM 684 O ILE A 47 -1.209 -8.789 8.794 1.00 0.00 O ATOM 685 CB ILE A 47 -1.681 -10.897 11.130 1.00 0.00 C ATOM 686 CG1 ILE A 47 -2.203 -12.335 11.200 1.00 0.00 C ATOM 687 CG2 ILE A 47 -1.539 -10.317 12.532 1.00 0.00 C ATOM 688 CD1 ILE A 47 -1.261 -13.290 11.901 1.00 0.00 C ATOM 0 H ILE A 47 -2.498 -11.423 8.723 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.480 -9.736 10.890 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.700 -10.911 10.655 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.162 -12.339 11.718 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.385 -12.696 10.188 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.873 -10.948 13.121 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.125 -9.311 12.469 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.518 -10.277 13.010 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.697 -14.289 11.912 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.309 -13.316 11.371 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.098 -12.954 12.925 1.00 0.00 H new ATOM 700 N VAL A 48 -1.899 -7.737 10.635 1.00 0.00 N ATOM 701 CA VAL A 48 -1.241 -6.484 10.286 1.00 0.00 C ATOM 702 C VAL A 48 0.180 -6.458 10.836 1.00 0.00 C ATOM 703 O VAL A 48 0.392 -6.589 12.043 1.00 0.00 O ATOM 704 CB VAL A 48 -2.022 -5.262 10.818 1.00 0.00 C ATOM 705 CG1 VAL A 48 -1.340 -3.963 10.411 1.00 0.00 C ATOM 706 CG2 VAL A 48 -3.459 -5.288 10.318 1.00 0.00 C ATOM 0 H VAL A 48 -2.386 -7.724 11.531 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.213 -6.425 9.198 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.033 -5.314 11.907 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.909 -3.117 10.797 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.330 -3.939 10.820 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.292 -3.902 9.324 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.994 -4.420 10.703 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.466 -5.265 9.228 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.948 -6.198 10.664 1.00 0.00 H new ATOM 716 N VAL A 49 1.155 -6.305 9.951 1.00 0.00 N ATOM 717 CA VAL A 49 2.550 -6.276 10.370 1.00 0.00 C ATOM 718 C VAL A 49 3.116 -4.861 10.342 1.00 0.00 C ATOM 719 O VAL A 49 4.020 -4.534 11.107 1.00 0.00 O ATOM 720 CB VAL A 49 3.438 -7.201 9.508 1.00 0.00 C ATOM 721 CG1 VAL A 49 3.042 -8.655 9.709 1.00 0.00 C ATOM 722 CG2 VAL A 49 3.357 -6.821 8.035 1.00 0.00 C ATOM 0 H VAL A 49 1.009 -6.200 8.947 1.00 0.00 H new ATOM 0 HA VAL A 49 2.564 -6.644 11.396 1.00 0.00 H new ATOM 0 HB VAL A 49 4.472 -7.075 9.830 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.677 -9.293 9.095 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.164 -8.924 10.758 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.000 -8.792 9.418 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.992 -7.488 7.452 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.326 -6.909 7.693 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.695 -5.793 7.905 1.00 0.00 H new ATOM 732 N ASP A 50 2.575 -4.019 9.473 1.00 0.00 N ATOM 733 CA ASP A 50 3.073 -2.657 9.334 1.00 0.00 C ATOM 734 C ASP A 50 1.959 -1.725 8.880 1.00 0.00 C ATOM 735 O ASP A 50 1.144 -2.092 8.034 1.00 0.00 O ATOM 736 CB ASP A 50 4.228 -2.612 8.328 1.00 0.00 C ATOM 737 CG ASP A 50 4.931 -1.268 8.300 1.00 0.00 C ATOM 738 OD1 ASP A 50 4.373 -0.306 7.752 1.00 0.00 O ATOM 739 OD2 ASP A 50 6.057 -1.174 8.834 1.00 0.00 O ATOM 0 H ASP A 50 1.796 -4.252 8.857 1.00 0.00 H new ATOM 0 HA ASP A 50 3.435 -2.325 10.307 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.950 -3.390 8.576 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.846 -2.838 7.333 1.00 0.00 H new ATOM 744 N THR A 51 1.918 -0.538 9.459 1.00 0.00 N ATOM 745 CA THR A 51 0.970 0.483 9.049 1.00 0.00 C ATOM 746 C THR A 51 1.715 1.783 8.751 1.00 0.00 C ATOM 747 O THR A 51 2.250 2.422 9.658 1.00 0.00 O ATOM 748 CB THR A 51 -0.098 0.729 10.136 1.00 0.00 C ATOM 749 OG1 THR A 51 -0.705 -0.515 10.521 1.00 0.00 O ATOM 750 CG2 THR A 51 -1.175 1.682 9.635 1.00 0.00 C ATOM 0 H THR A 51 2.535 -0.256 10.220 1.00 0.00 H new ATOM 0 HA THR A 51 0.461 0.134 8.151 1.00 0.00 H new ATOM 0 HB THR A 51 0.395 1.179 10.998 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.380 -0.350 11.212 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.915 1.839 10.419 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.721 2.636 9.368 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.661 1.254 8.758 1.00 0.00 H new ATOM 758 N GLN A 52 1.762 2.165 7.484 1.00 0.00 N ATOM 759 CA GLN A 52 2.524 3.331 7.074 1.00 0.00 C ATOM 760 C GLN A 52 1.583 4.473 6.696 1.00 0.00 C ATOM 761 O GLN A 52 0.738 4.336 5.807 1.00 0.00 O ATOM 762 CB GLN A 52 3.432 2.974 5.892 1.00 0.00 C ATOM 763 CG GLN A 52 4.779 3.691 5.891 1.00 0.00 C ATOM 764 CD GLN A 52 4.656 5.202 5.874 1.00 0.00 C ATOM 765 OE1 GLN A 52 4.620 5.846 6.923 1.00 0.00 O ATOM 766 NE2 GLN A 52 4.583 5.779 4.685 1.00 0.00 N ATOM 0 H GLN A 52 1.281 1.684 6.724 1.00 0.00 H new ATOM 0 HA GLN A 52 3.145 3.657 7.908 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.607 1.898 5.896 1.00 0.00 H new ATOM 0 HB3 GLN A 52 2.909 3.208 4.965 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.343 3.390 6.773 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.352 3.371 5.021 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.616 5.210 3.839 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.493 6.793 4.615 1.00 0.00 H new ATOM 775 N THR A 53 1.728 5.591 7.382 1.00 0.00 N ATOM 776 CA THR A 53 0.919 6.764 7.111 1.00 0.00 C ATOM 777 C THR A 53 1.488 7.551 5.934 1.00 0.00 C ATOM 778 O THR A 53 2.567 8.137 6.027 1.00 0.00 O ATOM 779 CB THR A 53 0.838 7.675 8.352 1.00 0.00 C ATOM 780 OG1 THR A 53 0.338 6.926 9.466 1.00 0.00 O ATOM 781 CG2 THR A 53 -0.067 8.873 8.097 1.00 0.00 C ATOM 0 H THR A 53 2.404 5.712 8.136 1.00 0.00 H new ATOM 0 HA THR A 53 -0.085 6.423 6.859 1.00 0.00 H new ATOM 0 HB THR A 53 1.840 8.043 8.571 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.615 6.739 9.333 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.105 9.497 8.990 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.326 9.455 7.264 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.071 8.525 7.855 1.00 0.00 H new ATOM 789 N VAL A 54 0.770 7.544 4.822 1.00 0.00 N ATOM 790 CA VAL A 54 1.178 8.303 3.656 1.00 0.00 C ATOM 791 C VAL A 54 0.671 9.730 3.788 1.00 0.00 C ATOM 792 O VAL A 54 -0.532 9.959 3.927 1.00 0.00 O ATOM 793 CB VAL A 54 0.649 7.678 2.349 1.00 0.00 C ATOM 794 CG1 VAL A 54 1.185 8.426 1.136 1.00 0.00 C ATOM 795 CG2 VAL A 54 1.013 6.203 2.274 1.00 0.00 C ATOM 0 H VAL A 54 -0.098 7.021 4.705 1.00 0.00 H new ATOM 0 HA VAL A 54 2.267 8.292 3.606 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.438 7.763 2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.799 7.967 0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.867 9.468 1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.274 8.379 1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.631 5.781 1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.097 6.094 2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.572 5.676 3.120 1.00 0.00 H new ATOM 805 N THR A 55 1.598 10.676 3.764 1.00 0.00 N ATOM 806 CA THR A 55 1.289 12.075 4.019 1.00 0.00 C ATOM 807 C THR A 55 0.266 12.623 3.023 1.00 0.00 C ATOM 808 O THR A 55 -0.637 13.373 3.401 1.00 0.00 O ATOM 809 CB THR A 55 2.570 12.918 3.956 1.00 0.00 C ATOM 810 OG1 THR A 55 3.683 12.123 4.386 1.00 0.00 O ATOM 811 CG2 THR A 55 2.457 14.142 4.848 1.00 0.00 C ATOM 0 H THR A 55 2.583 10.496 3.568 1.00 0.00 H new ATOM 0 HA THR A 55 0.854 12.137 5.017 1.00 0.00 H new ATOM 0 HB THR A 55 2.717 13.248 2.928 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.503 12.659 4.345 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.377 14.723 4.786 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.618 14.755 4.520 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.295 13.827 5.879 1.00 0.00 H new ATOM 819 N SER A 56 0.403 12.229 1.764 1.00 0.00 N ATOM 820 CA SER A 56 -0.495 12.673 0.711 1.00 0.00 C ATOM 821 C SER A 56 -0.147 11.962 -0.592 1.00 0.00 C ATOM 822 O SER A 56 0.987 11.513 -0.776 1.00 0.00 O ATOM 823 CB SER A 56 -0.409 14.198 0.537 1.00 0.00 C ATOM 824 OG SER A 56 -1.240 14.656 -0.519 1.00 0.00 O ATOM 0 H SER A 56 1.137 11.596 1.447 1.00 0.00 H new ATOM 0 HA SER A 56 -1.519 12.423 0.987 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.700 14.687 1.467 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.624 14.483 0.337 1.00 0.00 H new ATOM 0 HG SER A 56 -1.992 14.038 -0.635 1.00 0.00 H new ATOM 830 N LEU A 57 -1.125 11.846 -1.479 1.00 0.00 N ATOM 831 CA LEU A 57 -0.925 11.192 -2.761 1.00 0.00 C ATOM 832 C LEU A 57 -1.460 12.074 -3.884 1.00 0.00 C ATOM 833 O LEU A 57 -2.670 12.278 -4.015 1.00 0.00 O ATOM 834 CB LEU A 57 -1.596 9.814 -2.762 1.00 0.00 C ATOM 835 CG LEU A 57 -1.488 9.020 -4.066 1.00 0.00 C ATOM 836 CD1 LEU A 57 -0.057 8.996 -4.574 1.00 0.00 C ATOM 837 CD2 LEU A 57 -1.992 7.601 -3.855 1.00 0.00 C ATOM 0 H LEU A 57 -2.070 12.199 -1.331 1.00 0.00 H new ATOM 0 HA LEU A 57 0.142 11.043 -2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.161 9.219 -1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.652 9.945 -2.525 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.106 9.512 -4.817 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.010 8.425 -5.501 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.281 10.016 -4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.586 8.530 -3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.911 7.044 -4.788 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.392 7.112 -3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.034 7.629 -3.538 1.00 0.00 H new ATOM 849 N GLU A 58 -0.534 12.597 -4.677 1.00 0.00 N ATOM 850 CA GLU A 58 -0.837 13.555 -5.733 1.00 0.00 C ATOM 851 C GLU A 58 -1.771 12.953 -6.788 1.00 0.00 C ATOM 852 O GLU A 58 -1.755 11.743 -7.031 1.00 0.00 O ATOM 853 CB GLU A 58 0.479 14.010 -6.369 1.00 0.00 C ATOM 854 CG GLU A 58 0.393 15.311 -7.144 1.00 0.00 C ATOM 855 CD GLU A 58 1.759 15.805 -7.574 1.00 0.00 C ATOM 856 OE1 GLU A 58 2.653 15.918 -6.706 1.00 0.00 O ATOM 857 OE2 GLU A 58 1.953 16.070 -8.778 1.00 0.00 O ATOM 0 H GLU A 58 0.457 12.366 -4.605 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.357 14.410 -5.302 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.227 14.120 -5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.833 13.227 -7.039 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.235 15.169 -8.024 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.090 16.069 -6.527 1.00 0.00 H new ATOM 864 N SER A 59 -2.586 13.805 -7.397 1.00 0.00 N ATOM 865 CA SER A 59 -3.541 13.380 -8.413 1.00 0.00 C ATOM 866 C SER A 59 -2.841 12.746 -9.616 1.00 0.00 C ATOM 867 O SER A 59 -1.890 13.308 -10.166 1.00 0.00 O ATOM 868 CB SER A 59 -4.397 14.572 -8.846 1.00 0.00 C ATOM 869 OG SER A 59 -3.658 15.781 -8.778 1.00 0.00 O ATOM 0 H SER A 59 -2.604 14.806 -7.202 1.00 0.00 H new ATOM 0 HA SER A 59 -4.186 12.616 -7.979 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.754 14.417 -9.864 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.277 14.643 -8.207 1.00 0.00 H new ATOM 0 HG SER A 59 -4.079 16.386 -8.132 1.00 0.00 H new ATOM 875 N GLU A 60 -3.311 11.555 -9.988 1.00 0.00 N ATOM 876 CA GLU A 60 -2.776 10.791 -11.117 1.00 0.00 C ATOM 877 C GLU A 60 -1.298 10.447 -10.897 1.00 0.00 C ATOM 878 O GLU A 60 -0.541 10.221 -11.843 1.00 0.00 O ATOM 879 CB GLU A 60 -2.970 11.559 -12.430 1.00 0.00 C ATOM 880 CG GLU A 60 -2.816 10.691 -13.669 1.00 0.00 C ATOM 881 CD GLU A 60 -2.921 11.483 -14.951 1.00 0.00 C ATOM 882 OE1 GLU A 60 -1.906 12.084 -15.364 1.00 0.00 O ATOM 883 OE2 GLU A 60 -4.014 11.501 -15.556 1.00 0.00 O ATOM 0 H GLU A 60 -4.082 11.088 -9.510 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.330 9.855 -11.185 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.962 12.011 -12.434 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.248 12.374 -12.475 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.851 10.186 -13.636 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.582 9.915 -13.662 1.00 0.00 H new ATOM 890 N ASN A 61 -0.894 10.389 -9.639 1.00 0.00 N ATOM 891 CA ASN A 61 0.476 10.046 -9.292 1.00 0.00 C ATOM 892 C ASN A 61 0.510 8.816 -8.402 1.00 0.00 C ATOM 893 O ASN A 61 -0.496 8.452 -7.789 1.00 0.00 O ATOM 894 CB ASN A 61 1.167 11.216 -8.589 1.00 0.00 C ATOM 895 CG ASN A 61 1.732 12.234 -9.560 1.00 0.00 C ATOM 896 OD1 ASN A 61 2.900 12.158 -9.943 1.00 0.00 O ATOM 897 ND2 ASN A 61 0.911 13.186 -9.974 1.00 0.00 N ATOM 0 H ASN A 61 -1.497 10.576 -8.838 1.00 0.00 H new ATOM 0 HA ASN A 61 1.012 9.828 -10.216 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.454 11.708 -7.927 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.972 10.833 -7.962 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.239 13.891 -10.634 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.050 13.215 -9.633 1.00 0.00 H new ATOM 904 N SER A 62 1.662 8.173 -8.350 1.00 0.00 N ATOM 905 CA SER A 62 1.846 7.000 -7.517 1.00 0.00 C ATOM 906 C SER A 62 2.884 7.275 -6.433 1.00 0.00 C ATOM 907 O SER A 62 3.847 8.006 -6.656 1.00 0.00 O ATOM 908 CB SER A 62 2.278 5.812 -8.380 1.00 0.00 C ATOM 909 OG SER A 62 2.418 6.192 -9.744 1.00 0.00 O ATOM 0 H SER A 62 2.490 8.446 -8.879 1.00 0.00 H new ATOM 0 HA SER A 62 0.900 6.759 -7.033 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.224 5.416 -8.011 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.543 5.012 -8.296 1.00 0.00 H new ATOM 0 HG SER A 62 1.641 5.879 -10.252 1.00 0.00 H new ATOM 915 N THR A 63 2.667 6.710 -5.257 1.00 0.00 N ATOM 916 CA THR A 63 3.601 6.842 -4.154 1.00 0.00 C ATOM 917 C THR A 63 4.080 5.468 -3.696 1.00 0.00 C ATOM 918 O THR A 63 3.281 4.541 -3.546 1.00 0.00 O ATOM 919 CB THR A 63 2.961 7.606 -2.973 1.00 0.00 C ATOM 920 OG1 THR A 63 2.791 8.986 -3.326 1.00 0.00 O ATOM 921 CG2 THR A 63 3.802 7.503 -1.709 1.00 0.00 C ATOM 0 H THR A 63 1.842 6.150 -5.042 1.00 0.00 H new ATOM 0 HA THR A 63 4.459 7.416 -4.505 1.00 0.00 H new ATOM 0 HB THR A 63 1.993 7.150 -2.768 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.383 9.468 -2.576 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.317 8.054 -0.903 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.903 6.456 -1.423 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.790 7.926 -1.894 1.00 0.00 H new ATOM 929 N ASN A 64 5.381 5.339 -3.497 1.00 0.00 N ATOM 930 CA ASN A 64 5.966 4.081 -3.066 1.00 0.00 C ATOM 931 C ASN A 64 5.985 3.995 -1.546 1.00 0.00 C ATOM 932 O ASN A 64 6.647 4.790 -0.875 1.00 0.00 O ATOM 933 CB ASN A 64 7.382 3.930 -3.628 1.00 0.00 C ATOM 934 CG ASN A 64 7.390 3.608 -5.110 1.00 0.00 C ATOM 935 OD1 ASN A 64 6.474 2.965 -5.623 1.00 0.00 O ATOM 936 ND2 ASN A 64 8.427 4.044 -5.807 1.00 0.00 N ATOM 0 H ASN A 64 6.054 6.094 -3.628 1.00 0.00 H new ATOM 0 HA ASN A 64 5.353 3.266 -3.450 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.937 4.853 -3.457 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.902 3.140 -3.086 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.487 3.850 -6.807 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.166 4.574 -5.345 1.00 0.00 H new ATOM 943 N VAL A 65 5.240 3.041 -1.008 1.00 0.00 N ATOM 944 CA VAL A 65 5.133 2.867 0.433 1.00 0.00 C ATOM 945 C VAL A 65 6.083 1.779 0.910 1.00 0.00 C ATOM 946 O VAL A 65 5.904 0.605 0.586 1.00 0.00 O ATOM 947 CB VAL A 65 3.698 2.485 0.846 1.00 0.00 C ATOM 948 CG1 VAL A 65 3.509 2.634 2.346 1.00 0.00 C ATOM 949 CG2 VAL A 65 2.682 3.313 0.080 1.00 0.00 C ATOM 0 H VAL A 65 4.697 2.371 -1.552 1.00 0.00 H new ATOM 0 HA VAL A 65 5.396 3.819 0.894 1.00 0.00 H new ATOM 0 HB VAL A 65 3.537 1.437 0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.489 2.359 2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.209 1.982 2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.693 3.669 2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.675 3.028 0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.840 4.370 0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.800 3.136 -0.989 1.00 0.00 H new ATOM 959 N ASP A 66 7.091 2.171 1.670 1.00 0.00 N ATOM 960 CA ASP A 66 8.083 1.226 2.161 1.00 0.00 C ATOM 961 C ASP A 66 7.754 0.787 3.583 1.00 0.00 C ATOM 962 O ASP A 66 7.771 1.593 4.516 1.00 0.00 O ATOM 963 CB ASP A 66 9.485 1.833 2.096 1.00 0.00 C ATOM 964 CG ASP A 66 9.916 2.143 0.675 1.00 0.00 C ATOM 965 OD1 ASP A 66 10.408 1.227 -0.021 1.00 0.00 O ATOM 966 OD2 ASP A 66 9.769 3.308 0.248 1.00 0.00 O ATOM 0 H ASP A 66 7.245 3.136 1.961 1.00 0.00 H new ATOM 0 HA ASP A 66 8.060 0.346 1.519 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.510 2.748 2.688 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.198 1.143 2.547 1.00 0.00 H new ATOM 971 N PHE A 67 7.454 -0.496 3.732 1.00 0.00 N ATOM 972 CA PHE A 67 7.055 -1.056 5.020 1.00 0.00 C ATOM 973 C PHE A 67 8.256 -1.594 5.783 1.00 0.00 C ATOM 974 O PHE A 67 9.332 -1.790 5.216 1.00 0.00 O ATOM 975 CB PHE A 67 6.050 -2.193 4.826 1.00 0.00 C ATOM 976 CG PHE A 67 4.785 -1.791 4.128 1.00 0.00 C ATOM 977 CD1 PHE A 67 3.814 -1.060 4.791 1.00 0.00 C ATOM 978 CD2 PHE A 67 4.564 -2.156 2.813 1.00 0.00 C ATOM 979 CE1 PHE A 67 2.646 -0.697 4.153 1.00 0.00 C ATOM 980 CE2 PHE A 67 3.397 -1.799 2.170 1.00 0.00 C ATOM 981 CZ PHE A 67 2.436 -1.069 2.841 1.00 0.00 C ATOM 0 H PHE A 67 7.479 -1.175 2.971 1.00 0.00 H new ATOM 0 HA PHE A 67 6.597 -0.250 5.593 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.527 -2.990 4.256 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.796 -2.607 5.802 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.973 -0.771 5.819 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.313 -2.727 2.284 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.898 -0.123 4.679 1.00 0.00 H new ATOM 0 HE2 PHE A 67 3.235 -2.090 1.143 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.521 -0.790 2.340 1.00 0.00 H new ATOM 991 N HIS A 68 8.064 -1.843 7.070 1.00 0.00 N ATOM 992 CA HIS A 68 9.095 -2.445 7.900 1.00 0.00 C ATOM 993 C HIS A 68 8.629 -3.819 8.366 1.00 0.00 C ATOM 994 O HIS A 68 8.015 -3.953 9.426 1.00 0.00 O ATOM 995 CB HIS A 68 9.418 -1.561 9.113 1.00 0.00 C ATOM 996 CG HIS A 68 9.811 -0.159 8.758 1.00 0.00 C ATOM 997 ND1 HIS A 68 11.107 0.304 8.823 1.00 0.00 N ATOM 998 CD2 HIS A 68 9.064 0.887 8.331 1.00 0.00 C ATOM 999 CE1 HIS A 68 11.138 1.569 8.449 1.00 0.00 C ATOM 1000 NE2 HIS A 68 9.911 1.948 8.144 1.00 0.00 N ATOM 0 H HIS A 68 7.196 -1.635 7.564 1.00 0.00 H new ATOM 0 HA HIS A 68 10.004 -2.545 7.307 1.00 0.00 H new ATOM 0 HB2 HIS A 68 8.547 -1.529 9.768 1.00 0.00 H new ATOM 0 HB3 HIS A 68 10.227 -2.022 9.680 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.996 0.885 8.168 1.00 0.00 H new ATOM 0 HE1 HIS A 68 12.020 2.190 8.401 1.00 0.00 H new ATOM 0 HE2 HIS A 68 9.638 2.877 7.822 1.00 0.00 H new ATOM 1009 N TRP A 69 8.897 -4.835 7.559 1.00 0.00 N ATOM 1010 CA TRP A 69 8.436 -6.181 7.858 1.00 0.00 C ATOM 1011 C TRP A 69 9.602 -7.095 8.230 1.00 0.00 C ATOM 1012 O TRP A 69 10.463 -7.402 7.404 1.00 0.00 O ATOM 1013 CB TRP A 69 7.648 -6.757 6.670 1.00 0.00 C ATOM 1014 CG TRP A 69 7.304 -8.209 6.825 1.00 0.00 C ATOM 1015 CD1 TRP A 69 7.030 -8.864 7.990 1.00 0.00 C ATOM 1016 CD2 TRP A 69 7.194 -9.183 5.781 1.00 0.00 C ATOM 1017 NE1 TRP A 69 6.788 -10.191 7.741 1.00 0.00 N ATOM 1018 CE2 TRP A 69 6.877 -10.412 6.391 1.00 0.00 C ATOM 1019 CE3 TRP A 69 7.340 -9.142 4.389 1.00 0.00 C ATOM 1020 CZ2 TRP A 69 6.708 -11.583 5.659 1.00 0.00 C ATOM 1021 CZ3 TRP A 69 7.166 -10.305 3.666 1.00 0.00 C ATOM 1022 CH2 TRP A 69 6.856 -11.512 4.302 1.00 0.00 C ATOM 0 H TRP A 69 9.431 -4.752 6.694 1.00 0.00 H new ATOM 0 HA TRP A 69 7.770 -6.126 8.719 1.00 0.00 H new ATOM 0 HB2 TRP A 69 6.728 -6.186 6.544 1.00 0.00 H new ATOM 0 HB3 TRP A 69 8.232 -6.626 5.759 1.00 0.00 H new ATOM 0 HD1 TRP A 69 7.007 -8.404 8.967 1.00 0.00 H new ATOM 0 HE1 TRP A 69 6.576 -10.898 8.445 1.00 0.00 H new ATOM 0 HE3 TRP A 69 7.585 -8.216 3.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.468 -12.516 6.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 7.271 -10.283 2.591 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.731 -12.406 3.709 1.00 0.00 H new ATOM 1033 N THR A 70 9.619 -7.515 9.485 1.00 0.00 N ATOM 1034 CA THR A 70 10.620 -8.447 9.974 1.00 0.00 C ATOM 1035 C THR A 70 10.226 -9.876 9.609 1.00 0.00 C ATOM 1036 O THR A 70 9.217 -10.389 10.094 1.00 0.00 O ATOM 1037 CB THR A 70 10.761 -8.343 11.504 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.782 -6.965 11.903 1.00 0.00 O ATOM 1039 CG2 THR A 70 12.034 -9.030 11.981 1.00 0.00 C ATOM 0 H THR A 70 8.943 -7.221 10.189 1.00 0.00 H new ATOM 0 HA THR A 70 11.573 -8.194 9.509 1.00 0.00 H new ATOM 0 HB THR A 70 9.905 -8.842 11.958 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.870 -6.908 12.877 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.110 -8.943 13.065 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.005 -10.084 11.703 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.899 -8.556 11.517 1.00 0.00 H new ATOM 1047 N LEU A 71 11.009 -10.511 8.749 1.00 0.00 N ATOM 1048 CA LEU A 71 10.697 -11.861 8.309 1.00 0.00 C ATOM 1049 C LEU A 71 10.871 -12.864 9.437 1.00 0.00 C ATOM 1050 O LEU A 71 11.967 -13.032 9.975 1.00 0.00 O ATOM 1051 CB LEU A 71 11.555 -12.267 7.113 1.00 0.00 C ATOM 1052 CG LEU A 71 10.780 -12.443 5.808 1.00 0.00 C ATOM 1053 CD1 LEU A 71 9.653 -13.447 5.987 1.00 0.00 C ATOM 1054 CD2 LEU A 71 10.243 -11.106 5.329 1.00 0.00 C ATOM 0 H LEU A 71 11.858 -10.116 8.345 1.00 0.00 H new ATOM 0 HA LEU A 71 9.651 -11.864 8.002 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.327 -11.513 6.963 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.064 -13.202 7.348 1.00 0.00 H new ATOM 0 HG LEU A 71 11.460 -12.831 5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.113 -13.559 5.047 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.068 -14.410 6.284 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.969 -13.093 6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.693 -11.247 4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.577 -10.690 6.085 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.073 -10.420 5.160 1.00 0.00 H new ATOM 1066 N ASP A 72 9.777 -13.516 9.792 1.00 0.00 N ATOM 1067 CA ASP A 72 9.791 -14.541 10.822 1.00 0.00 C ATOM 1068 C ASP A 72 10.361 -15.847 10.280 1.00 0.00 C ATOM 1069 O ASP A 72 11.034 -16.583 11.002 1.00 0.00 O ATOM 1070 CB ASP A 72 8.380 -14.758 11.382 1.00 0.00 C ATOM 1071 CG ASP A 72 7.348 -14.993 10.298 1.00 0.00 C ATOM 1072 OD1 ASP A 72 7.167 -16.153 9.884 1.00 0.00 O ATOM 1073 OD2 ASP A 72 6.716 -14.013 9.854 1.00 0.00 O ATOM 0 H ASP A 72 8.860 -13.351 9.378 1.00 0.00 H new ATOM 0 HA ASP A 72 10.436 -14.201 11.633 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.390 -15.612 12.059 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.090 -13.888 11.971 1.00 0.00 H new ATOM 1078 N GLY A 73 10.089 -16.131 9.010 1.00 0.00 N ATOM 1079 CA GLY A 73 10.645 -17.314 8.374 1.00 0.00 C ATOM 1080 C GLY A 73 9.835 -18.564 8.656 1.00 0.00 C ATOM 1081 O GLY A 73 10.306 -19.681 8.438 1.00 0.00 O ATOM 0 H GLY A 73 9.493 -15.563 8.408 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.695 -17.153 7.297 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.667 -17.462 8.722 1.00 0.00 H new ATOM 1085 N THR A 74 8.615 -18.377 9.136 1.00 0.00 N ATOM 1086 CA THR A 74 7.737 -19.490 9.462 1.00 0.00 C ATOM 1087 C THR A 74 7.150 -20.115 8.195 1.00 0.00 C ATOM 1088 O THR A 74 6.841 -21.308 8.162 1.00 0.00 O ATOM 1089 CB THR A 74 6.595 -19.019 10.382 1.00 0.00 C ATOM 1090 OG1 THR A 74 7.141 -18.288 11.487 1.00 0.00 O ATOM 1091 CG2 THR A 74 5.777 -20.190 10.899 1.00 0.00 C ATOM 0 H THR A 74 8.208 -17.458 9.309 1.00 0.00 H new ATOM 0 HA THR A 74 8.330 -20.244 9.980 1.00 0.00 H new ATOM 0 HB THR A 74 5.934 -18.377 9.800 1.00 0.00 H new ATOM 0 HG1 THR A 74 7.279 -17.354 11.225 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.980 -19.820 11.545 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.342 -20.729 10.058 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.421 -20.862 11.466 1.00 0.00 H new ATOM 1099 N ALA A 75 7.020 -19.312 7.150 1.00 0.00 N ATOM 1100 CA ALA A 75 6.444 -19.780 5.900 1.00 0.00 C ATOM 1101 C ALA A 75 7.329 -19.393 4.728 1.00 0.00 C ATOM 1102 O ALA A 75 8.170 -18.503 4.842 1.00 0.00 O ATOM 1103 CB ALA A 75 5.043 -19.212 5.719 1.00 0.00 C ATOM 0 H ALA A 75 7.306 -18.333 7.143 1.00 0.00 H new ATOM 0 HA ALA A 75 6.377 -20.867 5.935 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.624 -19.571 4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.410 -19.535 6.545 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.091 -18.123 5.703 1.00 0.00 H new ATOM 1109 N ASN A 76 7.147 -20.069 3.604 1.00 0.00 N ATOM 1110 CA ASN A 76 7.904 -19.759 2.398 1.00 0.00 C ATOM 1111 C ASN A 76 7.054 -18.954 1.430 1.00 0.00 C ATOM 1112 O ASN A 76 7.519 -18.531 0.372 1.00 0.00 O ATOM 1113 CB ASN A 76 8.410 -21.035 1.723 1.00 0.00 C ATOM 1114 CG ASN A 76 9.605 -21.633 2.441 1.00 0.00 C ATOM 1115 OD1 ASN A 76 10.752 -21.300 2.141 1.00 0.00 O ATOM 1116 ND2 ASN A 76 9.352 -22.514 3.396 1.00 0.00 N ATOM 0 H ASN A 76 6.482 -20.836 3.500 1.00 0.00 H new ATOM 0 HA ASN A 76 8.768 -19.162 2.688 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.605 -21.769 1.689 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.683 -20.814 0.691 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.121 -22.942 3.912 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.388 -22.765 3.616 1.00 0.00 H new ATOM 1123 N SER A 77 5.799 -18.756 1.798 1.00 0.00 N ATOM 1124 CA SER A 77 4.877 -17.962 1.007 1.00 0.00 C ATOM 1125 C SER A 77 3.931 -17.194 1.923 1.00 0.00 C ATOM 1126 O SER A 77 3.180 -17.786 2.702 1.00 0.00 O ATOM 1127 CB SER A 77 4.087 -18.861 0.055 1.00 0.00 C ATOM 1128 OG SER A 77 4.961 -19.608 -0.777 1.00 0.00 O ATOM 0 H SER A 77 5.393 -19.140 2.651 1.00 0.00 H new ATOM 0 HA SER A 77 5.446 -17.246 0.414 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.456 -19.540 0.629 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.424 -18.253 -0.560 1.00 0.00 H new ATOM 0 HG SER A 77 4.435 -20.177 -1.377 1.00 0.00 H new ATOM 1134 N TYR A 78 3.988 -15.879 1.842 1.00 0.00 N ATOM 1135 CA TYR A 78 3.148 -15.025 2.663 1.00 0.00 C ATOM 1136 C TYR A 78 2.139 -14.297 1.789 1.00 0.00 C ATOM 1137 O TYR A 78 2.473 -13.847 0.690 1.00 0.00 O ATOM 1138 CB TYR A 78 3.998 -14.008 3.429 1.00 0.00 C ATOM 1139 CG TYR A 78 4.944 -14.612 4.447 1.00 0.00 C ATOM 1140 CD1 TYR A 78 6.170 -15.139 4.065 1.00 0.00 C ATOM 1141 CD2 TYR A 78 4.615 -14.629 5.794 1.00 0.00 C ATOM 1142 CE1 TYR A 78 7.040 -15.667 5.000 1.00 0.00 C ATOM 1143 CE2 TYR A 78 5.478 -15.157 6.733 1.00 0.00 C ATOM 1144 CZ TYR A 78 6.688 -15.676 6.333 1.00 0.00 C ATOM 1145 OH TYR A 78 7.557 -16.186 7.270 1.00 0.00 O ATOM 0 H TYR A 78 4.611 -15.375 1.212 1.00 0.00 H new ATOM 0 HA TYR A 78 2.619 -15.650 3.383 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.579 -13.428 2.712 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.334 -13.311 3.939 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.448 -15.136 3.021 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.667 -14.222 6.114 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.992 -16.071 4.688 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.205 -15.163 7.778 1.00 0.00 H new ATOM 0 HH TYR A 78 7.075 -16.354 8.106 1.00 0.00 H new ATOM 1155 N THR A 79 0.912 -14.186 2.269 1.00 0.00 N ATOM 1156 CA THR A 79 -0.126 -13.495 1.526 1.00 0.00 C ATOM 1157 C THR A 79 -0.171 -12.029 1.937 1.00 0.00 C ATOM 1158 O THR A 79 -0.922 -11.643 2.834 1.00 0.00 O ATOM 1159 CB THR A 79 -1.508 -14.136 1.756 1.00 0.00 C ATOM 1160 OG1 THR A 79 -1.407 -15.562 1.645 1.00 0.00 O ATOM 1161 CG2 THR A 79 -2.523 -13.621 0.749 1.00 0.00 C ATOM 0 H THR A 79 0.612 -14.565 3.167 1.00 0.00 H new ATOM 0 HA THR A 79 0.115 -13.575 0.466 1.00 0.00 H new ATOM 0 HB THR A 79 -1.845 -13.866 2.757 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.472 -15.965 2.536 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.489 -14.090 0.934 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.619 -12.540 0.849 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.190 -13.863 -0.260 1.00 0.00 H new ATOM 1169 N LEU A 80 0.659 -11.220 1.302 1.00 0.00 N ATOM 1170 CA LEU A 80 0.754 -9.815 1.651 1.00 0.00 C ATOM 1171 C LEU A 80 -0.353 -9.015 0.990 1.00 0.00 C ATOM 1172 O LEU A 80 -0.449 -8.938 -0.234 1.00 0.00 O ATOM 1173 CB LEU A 80 2.124 -9.253 1.286 1.00 0.00 C ATOM 1174 CG LEU A 80 3.139 -9.244 2.432 1.00 0.00 C ATOM 1175 CD1 LEU A 80 3.344 -10.640 2.992 1.00 0.00 C ATOM 1176 CD2 LEU A 80 4.458 -8.662 1.961 1.00 0.00 C ATOM 0 H LEU A 80 1.275 -11.512 0.544 1.00 0.00 H new ATOM 0 HA LEU A 80 0.632 -9.729 2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.533 -9.837 0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.998 -8.233 0.923 1.00 0.00 H new ATOM 0 HG LEU A 80 2.743 -8.617 3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.070 -10.603 3.804 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.396 -11.023 3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.714 -11.297 2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.171 -8.662 2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.850 -9.266 1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.302 -7.640 1.616 1.00 0.00 H new ATOM 1188 N THR A 81 -1.190 -8.436 1.821 1.00 0.00 N ATOM 1189 CA THR A 81 -2.332 -7.680 1.366 1.00 0.00 C ATOM 1190 C THR A 81 -2.190 -6.220 1.771 1.00 0.00 C ATOM 1191 O THR A 81 -2.104 -5.903 2.955 1.00 0.00 O ATOM 1192 CB THR A 81 -3.624 -8.259 1.970 1.00 0.00 C ATOM 1193 OG1 THR A 81 -3.632 -9.684 1.810 1.00 0.00 O ATOM 1194 CG2 THR A 81 -4.851 -7.667 1.302 1.00 0.00 C ATOM 0 H THR A 81 -1.096 -8.477 2.836 1.00 0.00 H new ATOM 0 HA THR A 81 -2.383 -7.746 0.279 1.00 0.00 H new ATOM 0 HB THR A 81 -3.652 -8.004 3.029 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.454 -10.052 2.196 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.750 -8.094 1.748 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.855 -6.586 1.441 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.831 -7.896 0.236 1.00 0.00 H new ATOM 1202 N VAL A 82 -2.132 -5.340 0.790 1.00 0.00 N ATOM 1203 CA VAL A 82 -2.043 -3.915 1.060 1.00 0.00 C ATOM 1204 C VAL A 82 -3.437 -3.323 1.207 1.00 0.00 C ATOM 1205 O VAL A 82 -4.193 -3.258 0.238 1.00 0.00 O ATOM 1206 CB VAL A 82 -1.284 -3.167 -0.058 1.00 0.00 C ATOM 1207 CG1 VAL A 82 -1.211 -1.676 0.242 1.00 0.00 C ATOM 1208 CG2 VAL A 82 0.112 -3.741 -0.238 1.00 0.00 C ATOM 0 H VAL A 82 -2.145 -5.585 -0.200 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.487 -3.792 1.990 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.835 -3.303 -0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.672 -1.170 -0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.220 -1.270 0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.689 -1.520 1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.629 -3.199 -1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.669 -3.641 0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.040 -4.795 -0.506 1.00 0.00 H new ATOM 1218 N ASN A 83 -3.789 -2.931 2.423 1.00 0.00 N ATOM 1219 CA ASN A 83 -5.065 -2.271 2.659 1.00 0.00 C ATOM 1220 C ASN A 83 -4.873 -0.764 2.731 1.00 0.00 C ATOM 1221 O ASN A 83 -4.230 -0.250 3.652 1.00 0.00 O ATOM 1222 CB ASN A 83 -5.721 -2.780 3.944 1.00 0.00 C ATOM 1223 CG ASN A 83 -7.045 -2.093 4.232 1.00 0.00 C ATOM 1224 OD1 ASN A 83 -8.095 -2.515 3.750 1.00 0.00 O ATOM 1225 ND2 ASN A 83 -7.005 -1.036 5.029 1.00 0.00 N ATOM 0 H ASN A 83 -3.214 -3.057 3.256 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.725 -2.507 1.825 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.883 -3.855 3.865 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.043 -2.621 4.782 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.866 -0.541 5.263 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.114 -0.717 5.409 1.00 0.00 H new ATOM 1232 N VAL A 84 -5.412 -0.068 1.747 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.319 1.378 1.685 1.00 0.00 C ATOM 1234 C VAL A 84 -6.422 2.029 2.516 1.00 0.00 C ATOM 1235 O VAL A 84 -7.606 1.918 2.193 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.392 1.879 0.225 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -5.352 3.396 0.163 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -4.258 1.284 -0.599 1.00 0.00 C ATOM 0 H VAL A 84 -5.925 -0.488 0.971 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.352 1.664 2.100 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.342 1.549 -0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.405 3.719 -0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -6.199 3.805 0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.423 3.754 0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.324 1.647 -1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.301 1.582 -0.170 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.336 0.197 -0.593 1.00 0.00 H new ATOM 1248 N ASP A 85 -6.001 2.670 3.602 1.00 0.00 N ATOM 1249 CA ASP A 85 -6.876 3.432 4.495 1.00 0.00 C ATOM 1250 C ASP A 85 -7.893 2.552 5.219 1.00 0.00 C ATOM 1251 O ASP A 85 -8.951 2.217 4.684 1.00 0.00 O ATOM 1252 CB ASP A 85 -7.586 4.564 3.754 1.00 0.00 C ATOM 1253 CG ASP A 85 -8.521 5.331 4.665 1.00 0.00 C ATOM 1254 OD1 ASP A 85 -8.156 5.568 5.839 1.00 0.00 O ATOM 1255 OD2 ASP A 85 -9.629 5.682 4.225 1.00 0.00 O ATOM 0 H ASP A 85 -5.024 2.676 3.894 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.225 3.867 5.254 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.845 5.246 3.336 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.150 4.153 2.917 1.00 0.00 H new ATOM 1260 N PRO A 86 -7.568 2.148 6.455 1.00 0.00 N ATOM 1261 CA PRO A 86 -8.484 1.431 7.323 1.00 0.00 C ATOM 1262 C PRO A 86 -9.219 2.371 8.278 1.00 0.00 C ATOM 1263 O PRO A 86 -9.955 1.927 9.162 1.00 0.00 O ATOM 1264 CB PRO A 86 -7.539 0.513 8.094 1.00 0.00 C ATOM 1265 CG PRO A 86 -6.244 1.262 8.181 1.00 0.00 C ATOM 1266 CD PRO A 86 -6.260 2.323 7.102 1.00 0.00 C ATOM 0 HA PRO A 86 -9.272 0.911 6.778 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.931 0.289 9.086 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -7.409 -0.439 7.580 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.129 1.717 9.165 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -5.400 0.586 8.042 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.153 3.323 7.523 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.442 2.186 6.394 1.00 0.00 H new ATOM 1274 N GLU A 87 -9.016 3.672 8.094 1.00 0.00 N ATOM 1275 CA GLU A 87 -9.595 4.670 8.982 1.00 0.00 C ATOM 1276 C GLU A 87 -10.803 5.335 8.328 1.00 0.00 C ATOM 1277 O GLU A 87 -11.564 6.046 8.987 1.00 0.00 O ATOM 1278 CB GLU A 87 -8.542 5.727 9.340 1.00 0.00 C ATOM 1279 CG GLU A 87 -9.006 6.726 10.390 1.00 0.00 C ATOM 1280 CD GLU A 87 -8.000 7.829 10.638 1.00 0.00 C ATOM 1281 OE1 GLU A 87 -7.122 7.652 11.502 1.00 0.00 O ATOM 1282 OE2 GLU A 87 -8.098 8.887 9.981 1.00 0.00 O ATOM 0 H GLU A 87 -8.454 4.059 7.336 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.926 4.173 9.894 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.645 5.225 9.702 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.262 6.268 8.436 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.951 7.167 10.072 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.199 6.200 11.325 1.00 0.00 H new ATOM 1289 N ASN A 88 -10.969 5.083 7.029 1.00 0.00 N ATOM 1290 CA ASN A 88 -12.026 5.705 6.228 1.00 0.00 C ATOM 1291 C ASN A 88 -11.742 7.199 6.078 1.00 0.00 C ATOM 1292 O ASN A 88 -12.652 8.025 5.981 1.00 0.00 O ATOM 1293 CB ASN A 88 -13.415 5.465 6.846 1.00 0.00 C ATOM 1294 CG ASN A 88 -14.554 5.875 5.924 1.00 0.00 C ATOM 1295 OD1 ASN A 88 -14.357 5.727 4.621 1.00 0.00 O flip ATOM 1296 ND2 ASN A 88 -15.611 6.313 6.381 1.00 0.00 N flip ATOM 0 H ASN A 88 -10.375 4.442 6.502 1.00 0.00 H new ATOM 0 HA ASN A 88 -12.032 5.244 5.240 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.518 4.409 7.095 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.492 6.022 7.780 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -15.728 6.414 7.389 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -16.369 6.575 5.751 1.00 0.00 H new ATOM 1303 N ALA A 89 -10.460 7.528 6.035 1.00 0.00 N ATOM 1304 CA ALA A 89 -10.022 8.896 5.845 1.00 0.00 C ATOM 1305 C ALA A 89 -10.243 9.317 4.399 1.00 0.00 C ATOM 1306 O ALA A 89 -10.656 10.444 4.121 1.00 0.00 O ATOM 1307 CB ALA A 89 -8.555 9.038 6.219 1.00 0.00 C ATOM 0 H ALA A 89 -9.699 6.855 6.131 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.608 9.547 6.494 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.240 10.071 6.071 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.418 8.763 7.265 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.954 8.382 5.590 1.00 0.00 H new ATOM 1313 N VAL A 90 -9.995 8.391 3.484 1.00 0.00 N ATOM 1314 CA VAL A 90 -10.145 8.656 2.064 1.00 0.00 C ATOM 1315 C VAL A 90 -11.000 7.582 1.419 1.00 0.00 C ATOM 1316 O VAL A 90 -10.615 6.417 1.376 1.00 0.00 O ATOM 1317 CB VAL A 90 -8.786 8.704 1.332 1.00 0.00 C ATOM 1318 CG1 VAL A 90 -8.990 8.977 -0.154 1.00 0.00 C ATOM 1319 CG2 VAL A 90 -7.867 9.747 1.953 1.00 0.00 C ATOM 0 H VAL A 90 -9.687 7.444 3.704 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.622 9.632 1.975 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.307 7.731 1.440 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.022 9.008 -0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.599 8.185 -0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.495 9.934 -0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.917 9.760 1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.334 10.730 1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.691 9.500 3.000 1.00 0.00 H new ATOM 1329 N ASN A 91 -12.162 7.967 0.925 1.00 0.00 N ATOM 1330 CA ASN A 91 -13.002 7.027 0.209 1.00 0.00 C ATOM 1331 C ASN A 91 -12.636 7.046 -1.267 1.00 0.00 C ATOM 1332 O ASN A 91 -12.276 8.091 -1.809 1.00 0.00 O ATOM 1333 CB ASN A 91 -14.485 7.346 0.395 1.00 0.00 C ATOM 1334 CG ASN A 91 -15.364 6.215 -0.103 1.00 0.00 C ATOM 1335 OD1 ASN A 91 -14.972 5.049 -0.060 1.00 0.00 O ATOM 1336 ND2 ASN A 91 -16.554 6.543 -0.571 1.00 0.00 N ATOM 0 H ASN A 91 -12.541 8.910 1.005 1.00 0.00 H new ATOM 0 HA ASN A 91 -12.830 6.031 0.616 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -14.689 7.529 1.450 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -14.731 8.263 -0.141 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -17.185 5.818 -0.913 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -16.843 7.521 -0.590 1.00 0.00 H new ATOM 1343 N GLU A 92 -12.722 5.892 -1.906 1.00 0.00 N ATOM 1344 CA GLU A 92 -12.283 5.745 -3.284 1.00 0.00 C ATOM 1345 C GLU A 92 -13.322 6.258 -4.270 1.00 0.00 C ATOM 1346 O GLU A 92 -14.493 6.442 -3.926 1.00 0.00 O ATOM 1347 CB GLU A 92 -12.051 4.278 -3.625 1.00 0.00 C ATOM 1348 CG GLU A 92 -11.142 3.521 -2.682 1.00 0.00 C ATOM 1349 CD GLU A 92 -11.223 2.026 -2.937 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -10.814 1.578 -4.028 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -11.727 1.295 -2.065 1.00 0.00 O ATOM 0 H GLU A 92 -13.094 5.038 -1.490 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.363 6.324 -3.368 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.017 3.773 -3.653 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.632 4.219 -4.629 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.114 3.861 -2.810 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.422 3.734 -1.650 1.00 0.00 H new ATOM 1358 N GLY A 93 -12.855 6.499 -5.484 1.00 0.00 N ATOM 1359 CA GLY A 93 -13.727 6.534 -6.639 1.00 0.00 C ATOM 1360 C GLY A 93 -14.463 5.218 -6.766 1.00 0.00 C ATOM 1361 O GLY A 93 -15.475 4.992 -6.099 1.00 0.00 O ATOM 0 H GLY A 93 -11.872 6.674 -5.692 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.441 7.352 -6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.144 6.724 -7.540 1.00 0.00 H new ATOM 1365 N ASN A 94 -13.986 4.366 -7.656 1.00 0.00 N ATOM 1366 CA ASN A 94 -14.479 2.996 -7.735 1.00 0.00 C ATOM 1367 C ASN A 94 -14.100 2.255 -6.449 1.00 0.00 C ATOM 1368 O ASN A 94 -12.940 1.903 -6.249 1.00 0.00 O ATOM 1369 CB ASN A 94 -13.892 2.293 -8.962 1.00 0.00 C ATOM 1370 CG ASN A 94 -14.418 0.882 -9.140 1.00 0.00 C ATOM 1371 OD1 ASN A 94 -15.522 0.555 -8.705 1.00 0.00 O ATOM 1372 ND2 ASN A 94 -13.636 0.040 -9.804 1.00 0.00 N ATOM 0 H ASN A 94 -13.259 4.595 -8.334 1.00 0.00 H new ATOM 0 HA ASN A 94 -15.564 3.000 -7.838 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -14.122 2.876 -9.854 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -12.806 2.262 -8.872 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -13.943 -0.918 -9.970 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -12.728 0.351 -10.148 1.00 0.00 H new ATOM 1379 N GLU A 95 -15.081 2.033 -5.581 1.00 0.00 N ATOM 1380 CA GLU A 95 -14.829 1.539 -4.223 1.00 0.00 C ATOM 1381 C GLU A 95 -14.542 0.034 -4.194 1.00 0.00 C ATOM 1382 O GLU A 95 -15.353 -0.740 -3.686 1.00 0.00 O ATOM 1383 CB GLU A 95 -16.039 1.837 -3.324 1.00 0.00 C ATOM 1384 CG GLU A 95 -16.500 3.287 -3.358 1.00 0.00 C ATOM 1385 CD GLU A 95 -17.781 3.510 -2.574 1.00 0.00 C ATOM 1386 OE1 GLU A 95 -18.830 2.953 -2.962 1.00 0.00 O ATOM 1387 OE2 GLU A 95 -17.754 4.252 -1.572 1.00 0.00 O ATOM 0 H GLU A 95 -16.067 2.187 -5.792 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.944 2.057 -3.854 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -16.868 1.197 -3.626 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -15.789 1.571 -2.297 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -15.714 3.924 -2.952 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -16.654 3.591 -4.393 1.00 0.00 H new ATOM 1394 N SER A 96 -13.397 -0.378 -4.735 1.00 0.00 N ATOM 1395 CA SER A 96 -13.012 -1.793 -4.752 1.00 0.00 C ATOM 1396 C SER A 96 -11.535 -1.976 -5.103 1.00 0.00 C ATOM 1397 O SER A 96 -11.117 -3.075 -5.478 1.00 0.00 O ATOM 1398 CB SER A 96 -13.858 -2.578 -5.768 1.00 0.00 C ATOM 1399 OG SER A 96 -15.202 -2.720 -5.342 1.00 0.00 O ATOM 0 H SER A 96 -12.717 0.247 -5.169 1.00 0.00 H new ATOM 0 HA SER A 96 -13.187 -2.176 -3.747 1.00 0.00 H new ATOM 0 HB2 SER A 96 -13.835 -2.067 -6.731 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.420 -3.564 -5.920 1.00 0.00 H new ATOM 0 HG SER A 96 -15.338 -2.214 -4.514 1.00 0.00 H new ATOM 1405 N ASN A 97 -10.739 -0.927 -4.968 1.00 0.00 N ATOM 1406 CA ASN A 97 -9.351 -0.990 -5.410 1.00 0.00 C ATOM 1407 C ASN A 97 -8.381 -0.857 -4.253 1.00 0.00 C ATOM 1408 O ASN A 97 -7.228 -1.256 -4.373 1.00 0.00 O ATOM 1409 CB ASN A 97 -9.060 0.101 -6.441 1.00 0.00 C ATOM 1410 CG ASN A 97 -9.895 -0.044 -7.694 1.00 0.00 C ATOM 1411 OD1 ASN A 97 -9.519 -0.746 -8.632 1.00 0.00 O ATOM 1412 ND2 ASN A 97 -11.032 0.627 -7.722 1.00 0.00 N ATOM 0 H ASN A 97 -11.022 -0.035 -4.563 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.210 -1.970 -5.865 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -9.249 1.077 -5.994 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -8.004 0.071 -6.708 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -11.635 0.574 -8.543 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.307 1.198 -6.923 1.00 0.00 H new ATOM 1419 N ASN A 98 -8.856 -0.332 -3.127 1.00 0.00 N ATOM 1420 CA ASN A 98 -7.988 0.000 -1.992 1.00 0.00 C ATOM 1421 C ASN A 98 -7.260 -1.217 -1.419 1.00 0.00 C ATOM 1422 O ASN A 98 -6.380 -1.072 -0.577 1.00 0.00 O ATOM 1423 CB ASN A 98 -8.785 0.683 -0.874 1.00 0.00 C ATOM 1424 CG ASN A 98 -9.630 -0.283 -0.052 1.00 0.00 C ATOM 1425 OD1 ASN A 98 -10.116 -1.304 -0.551 1.00 0.00 O ATOM 1426 ND2 ASN A 98 -9.795 0.027 1.225 1.00 0.00 N ATOM 0 H ASN A 98 -9.843 -0.125 -2.972 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.235 0.684 -2.383 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -8.093 1.203 -0.211 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -9.436 1.440 -1.313 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -10.339 -0.586 1.832 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -9.378 0.879 1.601 1.00 0.00 H new ATOM 1433 N THR A 99 -7.621 -2.411 -1.851 1.00 0.00 N ATOM 1434 CA THR A 99 -6.956 -3.600 -1.352 1.00 0.00 C ATOM 1435 C THR A 99 -6.175 -4.300 -2.461 1.00 0.00 C ATOM 1436 O THR A 99 -6.591 -4.317 -3.620 1.00 0.00 O ATOM 1437 CB THR A 99 -7.957 -4.583 -0.738 1.00 0.00 C ATOM 1438 OG1 THR A 99 -9.013 -3.859 -0.093 1.00 0.00 O ATOM 1439 CG2 THR A 99 -7.276 -5.481 0.281 1.00 0.00 C ATOM 0 H THR A 99 -8.358 -2.582 -2.535 1.00 0.00 H new ATOM 0 HA THR A 99 -6.261 -3.275 -0.577 1.00 0.00 H new ATOM 0 HB THR A 99 -8.363 -5.201 -1.538 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.231 -3.061 -0.618 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.006 -6.171 0.704 1.00 0.00 H new ATOM 0 HG22 THR A 99 -6.482 -6.047 -0.206 1.00 0.00 H new ATOM 0 HG23 THR A 99 -6.850 -4.870 1.077 1.00 0.00 H new ATOM 1447 N LEU A 100 -5.050 -4.875 -2.082 1.00 0.00 N ATOM 1448 CA LEU A 100 -4.178 -5.587 -3.009 1.00 0.00 C ATOM 1449 C LEU A 100 -3.660 -6.860 -2.351 1.00 0.00 C ATOM 1450 O LEU A 100 -2.758 -6.811 -1.515 1.00 0.00 O ATOM 1451 CB LEU A 100 -2.994 -4.703 -3.433 1.00 0.00 C ATOM 1452 CG LEU A 100 -1.979 -5.371 -4.365 1.00 0.00 C ATOM 1453 CD1 LEU A 100 -2.573 -5.584 -5.750 1.00 0.00 C ATOM 1454 CD2 LEU A 100 -0.707 -4.542 -4.446 1.00 0.00 C ATOM 0 H LEU A 100 -4.710 -4.864 -1.120 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.754 -5.843 -3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.385 -3.813 -3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.473 -4.367 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.728 -6.348 -3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.833 -6.060 -6.394 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.453 -6.223 -5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.859 -4.622 -6.175 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.004 -5.031 -5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.943 -3.550 -4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.269 -4.450 -3.452 1.00 0.00 H new ATOM 1466 N THR A 101 -4.250 -7.988 -2.705 1.00 0.00 N ATOM 1467 CA THR A 101 -3.854 -9.267 -2.142 1.00 0.00 C ATOM 1468 C THR A 101 -2.831 -9.952 -3.047 1.00 0.00 C ATOM 1469 O THR A 101 -3.183 -10.508 -4.091 1.00 0.00 O ATOM 1470 CB THR A 101 -5.076 -10.188 -1.949 1.00 0.00 C ATOM 1471 OG1 THR A 101 -6.103 -9.496 -1.220 1.00 0.00 O ATOM 1472 CG2 THR A 101 -4.693 -11.456 -1.201 1.00 0.00 C ATOM 0 H THR A 101 -5.009 -8.044 -3.384 1.00 0.00 H new ATOM 0 HA THR A 101 -3.403 -9.079 -1.168 1.00 0.00 H new ATOM 0 HB THR A 101 -5.448 -10.465 -2.936 1.00 0.00 H new ATOM 0 HG1 THR A 101 -6.876 -10.087 -1.103 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.574 -12.087 -1.079 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.935 -11.997 -1.767 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.296 -11.194 -0.220 1.00 0.00 H new ATOM 1480 N ALA A 102 -1.566 -9.894 -2.656 1.00 0.00 N ATOM 1481 CA ALA A 102 -0.495 -10.470 -3.451 1.00 0.00 C ATOM 1482 C ALA A 102 0.231 -11.562 -2.677 1.00 0.00 C ATOM 1483 O ALA A 102 0.108 -11.658 -1.455 1.00 0.00 O ATOM 1484 CB ALA A 102 0.483 -9.387 -3.883 1.00 0.00 C ATOM 0 H ALA A 102 -1.257 -9.452 -1.790 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.936 -10.921 -4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.280 -9.833 -4.478 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.041 -8.641 -4.480 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.911 -8.911 -3.001 1.00 0.00 H new ATOM 1490 N LEU A 103 0.979 -12.385 -3.389 1.00 0.00 N ATOM 1491 CA LEU A 103 1.751 -13.447 -2.765 1.00 0.00 C ATOM 1492 C LEU A 103 3.238 -13.166 -2.890 1.00 0.00 C ATOM 1493 O LEU A 103 3.735 -12.873 -3.976 1.00 0.00 O ATOM 1494 CB LEU A 103 1.424 -14.798 -3.404 1.00 0.00 C ATOM 1495 CG LEU A 103 -0.001 -15.299 -3.169 1.00 0.00 C ATOM 1496 CD1 LEU A 103 -0.252 -16.573 -3.958 1.00 0.00 C ATOM 1497 CD2 LEU A 103 -0.244 -15.537 -1.686 1.00 0.00 C ATOM 0 H LEU A 103 1.069 -12.339 -4.404 1.00 0.00 H new ATOM 0 HA LEU A 103 1.484 -13.484 -1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.594 -14.725 -4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.122 -15.542 -3.020 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.697 -14.535 -3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.271 -16.917 -3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.117 -16.375 -5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.451 -17.343 -3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.263 -15.893 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.459 -16.284 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.102 -14.604 -1.140 1.00 0.00 H new ATOM 1509 N VAL A 104 3.937 -13.249 -1.774 1.00 0.00 N ATOM 1510 CA VAL A 104 5.379 -13.063 -1.768 1.00 0.00 C ATOM 1511 C VAL A 104 6.060 -14.328 -1.262 1.00 0.00 C ATOM 1512 O VAL A 104 5.555 -14.995 -0.353 1.00 0.00 O ATOM 1513 CB VAL A 104 5.813 -11.848 -0.910 1.00 0.00 C ATOM 1514 CG1 VAL A 104 5.215 -10.561 -1.453 1.00 0.00 C ATOM 1515 CG2 VAL A 104 5.425 -12.029 0.549 1.00 0.00 C ATOM 0 H VAL A 104 3.531 -13.444 -0.859 1.00 0.00 H new ATOM 0 HA VAL A 104 5.687 -12.860 -2.794 1.00 0.00 H new ATOM 0 HB VAL A 104 6.900 -11.782 -0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.534 -9.722 -0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.554 -10.406 -2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 104 4.127 -10.630 -1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 104 5.745 -11.158 1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.343 -12.137 0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.909 -12.922 0.946 1.00 0.00 H new ATOM 1525 N GLY A 105 7.189 -14.668 -1.859 1.00 0.00 N ATOM 1526 CA GLY A 105 7.875 -15.882 -1.486 1.00 0.00 C ATOM 1527 C GLY A 105 9.179 -15.593 -0.790 1.00 0.00 C ATOM 1528 O GLY A 105 9.562 -14.433 -0.636 1.00 0.00 O ATOM 0 H GLY A 105 7.642 -14.125 -2.594 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.236 -16.474 -0.831 1.00 0.00 H new ATOM 0 HA3 GLY A 105 8.063 -16.482 -2.376 1.00 0.00 H new ATOM 1532 N THR A 106 9.863 -16.632 -0.360 1.00 0.00 N ATOM 1533 CA THR A 106 11.158 -16.465 0.259 1.00 0.00 C ATOM 1534 C THR A 106 12.248 -16.462 -0.804 1.00 0.00 C ATOM 1535 O THR A 106 12.262 -17.310 -1.697 1.00 0.00 O ATOM 1536 CB THR A 106 11.431 -17.562 1.300 1.00 0.00 C ATOM 1537 OG1 THR A 106 11.255 -18.860 0.713 1.00 0.00 O ATOM 1538 CG2 THR A 106 10.503 -17.411 2.496 1.00 0.00 C ATOM 0 H THR A 106 9.544 -17.598 -0.428 1.00 0.00 H new ATOM 0 HA THR A 106 11.161 -15.507 0.779 1.00 0.00 H new ATOM 0 HB THR A 106 12.462 -17.459 1.640 1.00 0.00 H new ATOM 0 HG1 THR A 106 11.083 -19.518 1.419 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.713 -18.197 3.221 1.00 0.00 H new ATOM 0 HG22 THR A 106 10.663 -16.438 2.960 1.00 0.00 H new ATOM 0 HG23 THR A 106 9.467 -17.490 2.165 1.00 0.00 H new ATOM 1546 N LEU A 107 13.139 -15.485 -0.720 1.00 0.00 N ATOM 1547 CA LEU A 107 14.185 -15.310 -1.714 1.00 0.00 C ATOM 1548 C LEU A 107 15.078 -16.542 -1.777 1.00 0.00 C ATOM 1549 O LEU A 107 15.490 -17.078 -0.745 1.00 0.00 O ATOM 1550 CB LEU A 107 15.019 -14.065 -1.390 1.00 0.00 C ATOM 1551 CG LEU A 107 16.023 -13.647 -2.468 1.00 0.00 C ATOM 1552 CD1 LEU A 107 15.303 -13.250 -3.748 1.00 0.00 C ATOM 1553 CD2 LEU A 107 16.892 -12.503 -1.971 1.00 0.00 C ATOM 0 H LEU A 107 13.157 -14.797 0.033 1.00 0.00 H new ATOM 0 HA LEU A 107 13.716 -15.176 -2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 107 14.341 -13.232 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 107 15.562 -14.244 -0.462 1.00 0.00 H new ATOM 0 HG LEU A 107 16.665 -14.500 -2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 107 16.035 -12.956 -4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 107 14.723 -14.096 -4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 107 14.635 -12.413 -3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 107 17.600 -12.219 -2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 107 16.262 -11.649 -1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 107 17.438 -12.820 -1.083 1.00 0.00 H new ATOM 1565 N GLU A 108 15.357 -16.990 -2.995 1.00 0.00 N ATOM 1566 CA GLU A 108 16.228 -18.135 -3.220 1.00 0.00 C ATOM 1567 C GLU A 108 17.620 -17.861 -2.657 1.00 0.00 C ATOM 1568 O GLU A 108 18.283 -18.759 -2.140 1.00 0.00 O ATOM 1569 CB GLU A 108 16.269 -18.456 -4.723 1.00 0.00 C ATOM 1570 CG GLU A 108 17.344 -19.447 -5.151 1.00 0.00 C ATOM 1571 CD GLU A 108 18.616 -18.758 -5.605 1.00 0.00 C ATOM 1572 OE1 GLU A 108 18.558 -17.999 -6.597 1.00 0.00 O ATOM 1573 OE2 GLU A 108 19.673 -18.971 -4.976 1.00 0.00 O ATOM 0 H GLU A 108 14.988 -16.572 -3.849 1.00 0.00 H new ATOM 0 HA GLU A 108 15.836 -19.007 -2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 108 15.297 -18.850 -5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 108 16.417 -17.526 -5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 108 17.572 -20.114 -4.319 1.00 0.00 H new ATOM 0 HG3 GLU A 108 16.961 -20.067 -5.961 1.00 0.00 H new ATOM 1580 N HIS A 109 18.041 -16.604 -2.735 1.00 0.00 N ATOM 1581 CA HIS A 109 19.333 -16.201 -2.201 1.00 0.00 C ATOM 1582 C HIS A 109 19.223 -15.889 -0.717 1.00 0.00 C ATOM 1583 O HIS A 109 18.639 -14.879 -0.323 1.00 0.00 O ATOM 1584 CB HIS A 109 19.880 -14.978 -2.944 1.00 0.00 C ATOM 1585 CG HIS A 109 20.236 -15.246 -4.372 1.00 0.00 C ATOM 1586 ND1 HIS A 109 21.424 -15.821 -4.752 1.00 0.00 N ATOM 1587 CD2 HIS A 109 19.552 -15.007 -5.515 1.00 0.00 C ATOM 1588 CE1 HIS A 109 21.459 -15.924 -6.066 1.00 0.00 C ATOM 1589 NE2 HIS A 109 20.334 -15.439 -6.557 1.00 0.00 N ATOM 0 H HIS A 109 17.506 -15.848 -3.163 1.00 0.00 H new ATOM 0 HA HIS A 109 20.023 -17.032 -2.343 1.00 0.00 H new ATOM 0 HB2 HIS A 109 19.137 -14.181 -2.908 1.00 0.00 H new ATOM 0 HB3 HIS A 109 20.764 -14.613 -2.422 1.00 0.00 H new ATOM 0 HD2 HIS A 109 18.572 -14.559 -5.593 1.00 0.00 H new ATOM 0 HE1 HIS A 109 22.273 -16.336 -6.644 1.00 0.00 H new ATOM 0 HE2 HIS A 109 20.087 -15.393 -7.546 1.00 0.00 H new ATOM 1598 N HIS A 110 19.789 -16.754 0.104 1.00 0.00 N ATOM 1599 CA HIS A 110 19.773 -16.562 1.546 1.00 0.00 C ATOM 1600 C HIS A 110 21.102 -15.952 1.988 1.00 0.00 C ATOM 1601 O HIS A 110 21.657 -16.323 3.022 1.00 0.00 O ATOM 1602 CB HIS A 110 19.535 -17.904 2.248 1.00 0.00 C ATOM 1603 CG HIS A 110 18.728 -17.797 3.510 1.00 0.00 C ATOM 1604 ND1 HIS A 110 17.555 -18.491 3.709 1.00 0.00 N ATOM 1605 CD2 HIS A 110 18.937 -17.087 4.644 1.00 0.00 C ATOM 1606 CE1 HIS A 110 17.078 -18.211 4.907 1.00 0.00 C ATOM 1607 NE2 HIS A 110 17.897 -17.363 5.501 1.00 0.00 N ATOM 0 H HIS A 110 20.268 -17.601 -0.203 1.00 0.00 H new ATOM 0 HA HIS A 110 18.964 -15.884 1.818 1.00 0.00 H new ATOM 0 HB2 HIS A 110 19.026 -18.578 1.559 1.00 0.00 H new ATOM 0 HB3 HIS A 110 20.499 -18.356 2.482 1.00 0.00 H new ATOM 0 HD1 HIS A 110 17.122 -19.123 3.035 1.00 0.00 H new ATOM 0 HD2 HIS A 110 19.768 -16.425 4.840 1.00 0.00 H new ATOM 0 HE1 HIS A 110 16.168 -18.610 5.331 1.00 0.00 H new ATOM 1616 N HIS A 111 21.586 -14.999 1.185 1.00 0.00 N ATOM 1617 CA HIS A 111 22.887 -14.354 1.398 1.00 0.00 C ATOM 1618 C HIS A 111 24.032 -15.334 1.169 1.00 0.00 C ATOM 1619 O HIS A 111 23.822 -16.427 0.642 1.00 0.00 O ATOM 1620 CB HIS A 111 22.989 -13.724 2.793 1.00 0.00 C ATOM 1621 CG HIS A 111 22.334 -12.382 2.896 1.00 0.00 C ATOM 1622 ND1 HIS A 111 22.141 -11.726 4.091 1.00 0.00 N ATOM 1623 CD2 HIS A 111 21.848 -11.560 1.936 1.00 0.00 C ATOM 1624 CE1 HIS A 111 21.563 -10.563 3.862 1.00 0.00 C ATOM 1625 NE2 HIS A 111 21.376 -10.434 2.563 1.00 0.00 N ATOM 0 H HIS A 111 21.086 -14.652 0.367 1.00 0.00 H new ATOM 0 HA HIS A 111 22.969 -13.552 0.665 1.00 0.00 H new ATOM 0 HB2 HIS A 111 22.535 -14.397 3.520 1.00 0.00 H new ATOM 0 HB3 HIS A 111 24.041 -13.627 3.062 1.00 0.00 H new ATOM 0 HD2 HIS A 111 21.834 -11.754 0.874 1.00 0.00 H new ATOM 0 HE1 HIS A 111 21.289 -9.837 4.613 1.00 0.00 H new ATOM 0 HE2 HIS A 111 20.951 -9.630 2.101 1.00 0.00 H new ATOM 1634 N HIS A 112 25.245 -14.910 1.541 1.00 0.00 N ATOM 1635 CA HIS A 112 26.475 -15.690 1.339 1.00 0.00 C ATOM 1636 C HIS A 112 26.932 -15.608 -0.117 1.00 0.00 C ATOM 1637 O HIS A 112 27.988 -16.127 -0.479 1.00 0.00 O ATOM 1638 CB HIS A 112 26.315 -17.159 1.763 1.00 0.00 C ATOM 1639 CG HIS A 112 26.186 -17.363 3.243 1.00 0.00 C ATOM 1640 ND1 HIS A 112 27.182 -17.920 4.014 1.00 0.00 N ATOM 1641 CD2 HIS A 112 25.163 -17.099 4.094 1.00 0.00 C ATOM 1642 CE1 HIS A 112 26.782 -17.989 5.269 1.00 0.00 C ATOM 1643 NE2 HIS A 112 25.561 -17.500 5.345 1.00 0.00 N ATOM 0 H HIS A 112 25.404 -14.010 1.994 1.00 0.00 H new ATOM 0 HA HIS A 112 27.238 -15.248 1.980 1.00 0.00 H new ATOM 0 HB2 HIS A 112 25.434 -17.573 1.273 1.00 0.00 H new ATOM 0 HB3 HIS A 112 27.175 -17.725 1.404 1.00 0.00 H new ATOM 0 HD2 HIS A 112 24.213 -16.656 3.835 1.00 0.00 H new ATOM 0 HE1 HIS A 112 27.358 -18.380 6.095 1.00 0.00 H new ATOM 0 HE2 HIS A 112 25.002 -17.431 6.195 1.00 0.00 H new ATOM 1652 N HIS A 113 26.125 -14.953 -0.942 1.00 0.00 N ATOM 1653 CA HIS A 113 26.447 -14.721 -2.345 1.00 0.00 C ATOM 1654 C HIS A 113 25.796 -13.429 -2.806 1.00 0.00 C ATOM 1655 O HIS A 113 24.635 -13.169 -2.484 1.00 0.00 O ATOM 1656 CB HIS A 113 25.960 -15.869 -3.242 1.00 0.00 C ATOM 1657 CG HIS A 113 26.741 -17.140 -3.107 1.00 0.00 C ATOM 1658 ND1 HIS A 113 28.097 -17.215 -3.329 1.00 0.00 N ATOM 1659 CD2 HIS A 113 26.347 -18.390 -2.779 1.00 0.00 C ATOM 1660 CE1 HIS A 113 28.502 -18.455 -3.146 1.00 0.00 C ATOM 1661 NE2 HIS A 113 27.462 -19.191 -2.811 1.00 0.00 N ATOM 0 H HIS A 113 25.225 -14.566 -0.656 1.00 0.00 H new ATOM 0 HA HIS A 113 27.532 -14.659 -2.429 1.00 0.00 H new ATOM 0 HB2 HIS A 113 24.915 -16.074 -3.012 1.00 0.00 H new ATOM 0 HB3 HIS A 113 25.999 -15.542 -4.281 1.00 0.00 H new ATOM 0 HD2 HIS A 113 25.342 -18.701 -2.537 1.00 0.00 H new ATOM 0 HE1 HIS A 113 29.517 -18.809 -3.253 1.00 0.00 H new ATOM 0 HE2 HIS A 113 27.482 -20.191 -2.609 1.00 0.00 H new ATOM 1670 N HIS A 114 26.541 -12.625 -3.550 1.00 0.00 N ATOM 1671 CA HIS A 114 26.022 -11.380 -4.092 1.00 0.00 C ATOM 1672 C HIS A 114 27.024 -10.799 -5.081 1.00 0.00 C ATOM 1673 O HIS A 114 27.855 -9.961 -4.674 1.00 0.00 O ATOM 1674 CB HIS A 114 25.731 -10.370 -2.976 1.00 0.00 C ATOM 1675 CG HIS A 114 24.848 -9.237 -3.407 1.00 0.00 C ATOM 1676 ND1 HIS A 114 25.330 -8.002 -3.780 1.00 0.00 N ATOM 1677 CD2 HIS A 114 23.500 -9.161 -3.520 1.00 0.00 C ATOM 1678 CE1 HIS A 114 24.321 -7.214 -4.097 1.00 0.00 C ATOM 1679 NE2 HIS A 114 23.200 -7.892 -3.950 1.00 0.00 N ATOM 1680 OXT HIS A 114 26.999 -11.210 -6.256 1.00 0.00 O ATOM 0 H HIS A 114 27.513 -12.815 -3.793 1.00 0.00 H new ATOM 0 HA HIS A 114 25.084 -11.589 -4.605 1.00 0.00 H new ATOM 0 HB2 HIS A 114 25.260 -10.889 -2.141 1.00 0.00 H new ATOM 0 HB3 HIS A 114 26.674 -9.965 -2.609 1.00 0.00 H new ATOM 0 HD2 HIS A 114 22.794 -9.951 -3.311 1.00 0.00 H new ATOM 0 HE1 HIS A 114 24.400 -6.187 -4.422 1.00 0.00 H new ATOM 0 HE2 HIS A 114 22.262 -7.532 -4.127 1.00 0.00 H new TER 1689 HIS A 114