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 76 ASN : amide:sc= 0.556 X(o=1.2,f=1.5) USER MOD Set 1.2: A 106 THR OG1 : rot -158:sc= 0.616 USER MOD Set 2.1: A 81 THR OG1 : rot -100:sc= 1.09 USER MOD Set 2.2: A 101 THR OG1 : rot 180:sc= 0.93 USER MOD Set 3.1: A 88 ASN : amide:sc= 1.02 K(o=1.1,f=-0.19) USER MOD Set 3.2: A 98 ASN : amide:sc= 0.113 K(o=1.1,f=-0.19) USER MOD Set 4.1: A 74 THR OG1 : rot -101:sc= 1.22 USER MOD Set 4.2: A 78 TYR OH : rot 154:sc= 2.2 USER MOD Set 5.1: A 39 ASN : amide:sc= 2.08 K(o=3.2,f=-0.38) USER MOD Set 5.2: A 53 THR OG1 : rot -82:sc= 1.12 USER MOD Set 6.1: A 26 THR OG1 : rot -73:sc= 0.56 USER MOD Set 6.2: A 64 ASN : amide:sc= 0.519 K(o=1.1,f=-0.38) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.163 (180deg=-0.739) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0223 (180deg=-0.209) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0136 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.393 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.417 K(o=-0.42,f=-5.3!) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 21 ASN : amide:sc= -1.83! C(o=-1.8!,f=-6.5!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -136:sc= -0.949 (180deg=-4.25!) USER MOD Single : A 24 THR OG1 : rot -79:sc= 1.22 USER MOD Single : A 29 ASN : amide:sc= -0.912 K(o=-0.91,f=-4.3!) USER MOD Single : A 30 GLN : amide:sc= -0.562 K(o=-0.56,f=-1.9) USER MOD Single : A 32 ASN : amide:sc= -3.64! C(o=-3.6!,f=-11!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -73:sc= 1.17 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -29:sc= 1.1 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= -1.14 K(o=-1.1,f=-3.2!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 35:sc= 0.0203 USER MOD Single : A 61 ASN : amide:sc= 1.21 K(o=1.2,f=-1.9) USER MOD Single : A 62 SER OG : rot -46:sc= 1.24 USER MOD Single : A 63 THR OG1 : rot 180:sc= -1.89! USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc=-0.00425 USER MOD Single : A 79 THR OG1 : rot 130:sc= 1.2 USER MOD Single : A 83 ASN : amide:sc= -0.393 X(o=-0.39,f=-0.1) USER MOD Single : A 91 ASN : amide:sc= -0.149 K(o=-0.15,f=-0.71) USER MOD Single : A 94 ASN : amide:sc= -1.24 K(o=-1.2,f=-5.5!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.343 K(o=-0.34,f=-6!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 HIS : no HE2:sc= 1.01 K(o=1,f=-6.7!) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.0195 X(o=-0.02,f=-0.032) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc=-0.00336 X(o=-0.0034,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.253 14.943 -9.184 1.00 0.00 N ATOM 2 CA MET A 1 -13.813 14.742 -8.920 1.00 0.00 C ATOM 3 C MET A 1 -13.617 13.931 -7.653 1.00 0.00 C ATOM 4 O MET A 1 -13.594 14.480 -6.553 1.00 0.00 O ATOM 5 CB MET A 1 -13.093 16.090 -8.779 1.00 0.00 C ATOM 6 CG MET A 1 -13.207 16.983 -10.002 1.00 0.00 C ATOM 7 SD MET A 1 -12.361 18.563 -9.797 1.00 0.00 S ATOM 8 CE MET A 1 -10.672 18.016 -9.552 1.00 0.00 C ATOM 0 H1 MET A 1 -15.382 15.301 -10.152 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.755 14.038 -9.080 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.637 15.632 -8.506 1.00 0.00 H new ATOM 0 HA MET A 1 -13.388 14.200 -9.765 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.499 16.619 -7.917 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.038 15.907 -8.573 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.792 16.463 -10.865 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.260 17.165 -10.216 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.989 18.839 -9.763 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.541 17.691 -8.520 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.458 17.185 -10.224 1.00 0.00 H new ATOM 20 N ILE A 2 -13.515 12.621 -7.804 1.00 0.00 N ATOM 21 CA ILE A 2 -13.257 11.746 -6.675 1.00 0.00 C ATOM 22 C ILE A 2 -11.883 11.092 -6.837 1.00 0.00 C ATOM 23 O ILE A 2 -11.467 10.790 -7.960 1.00 0.00 O ATOM 24 CB ILE A 2 -14.370 10.666 -6.548 1.00 0.00 C ATOM 25 CG1 ILE A 2 -14.328 9.987 -5.178 1.00 0.00 C ATOM 26 CG2 ILE A 2 -14.251 9.621 -7.651 1.00 0.00 C ATOM 27 CD1 ILE A 2 -15.448 8.993 -4.965 1.00 0.00 C ATOM 0 H ILE A 2 -13.607 12.141 -8.699 1.00 0.00 H new ATOM 0 HA ILE A 2 -13.263 12.338 -5.760 1.00 0.00 H new ATOM 0 HB ILE A 2 -15.328 11.174 -6.653 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -13.372 9.476 -5.063 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -14.377 10.750 -4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -15.042 8.880 -7.537 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -14.346 10.105 -8.623 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -13.280 9.130 -7.584 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -15.357 8.549 -3.974 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -16.408 9.503 -5.048 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -15.387 8.209 -5.720 1.00 0.00 H new ATOM 39 N PRO A 3 -11.134 10.911 -5.742 1.00 0.00 N ATOM 40 CA PRO A 3 -9.869 10.187 -5.774 1.00 0.00 C ATOM 41 C PRO A 3 -10.093 8.680 -5.747 1.00 0.00 C ATOM 42 O PRO A 3 -11.140 8.208 -5.300 1.00 0.00 O ATOM 43 CB PRO A 3 -9.145 10.643 -4.498 1.00 0.00 C ATOM 44 CG PRO A 3 -10.052 11.631 -3.829 1.00 0.00 C ATOM 45 CD PRO A 3 -11.424 11.412 -4.397 1.00 0.00 C ATOM 0 HA PRO A 3 -9.302 10.391 -6.682 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.942 9.796 -3.843 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.184 11.098 -4.738 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.053 11.486 -2.749 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.716 12.651 -4.013 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.996 10.693 -3.811 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.004 12.334 -4.424 1.00 0.00 H new ATOM 53 N ASP A 4 -9.123 7.928 -6.234 1.00 0.00 N ATOM 54 CA ASP A 4 -9.194 6.478 -6.185 1.00 0.00 C ATOM 55 C ASP A 4 -7.786 5.951 -6.008 1.00 0.00 C ATOM 56 O ASP A 4 -7.001 5.962 -6.950 1.00 0.00 O ATOM 57 CB ASP A 4 -9.822 5.951 -7.484 1.00 0.00 C ATOM 58 CG ASP A 4 -10.162 4.472 -7.456 1.00 0.00 C ATOM 59 OD1 ASP A 4 -9.256 3.639 -7.656 1.00 0.00 O ATOM 60 OD2 ASP A 4 -11.357 4.141 -7.285 1.00 0.00 O ATOM 0 H ASP A 4 -8.277 8.296 -6.668 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.815 6.143 -5.354 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.730 6.517 -7.691 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -9.135 6.139 -8.309 1.00 0.00 H new ATOM 65 N LEU A 5 -7.440 5.503 -4.811 1.00 0.00 N ATOM 66 CA LEU A 5 -6.058 5.148 -4.554 1.00 0.00 C ATOM 67 C LEU A 5 -5.909 3.649 -4.660 1.00 0.00 C ATOM 68 O LEU A 5 -6.627 2.888 -4.017 1.00 0.00 O ATOM 69 CB LEU A 5 -5.645 5.599 -3.147 1.00 0.00 C ATOM 70 CG LEU A 5 -6.103 7.002 -2.734 1.00 0.00 C ATOM 71 CD1 LEU A 5 -5.832 7.237 -1.256 1.00 0.00 C ATOM 72 CD2 LEU A 5 -5.412 8.064 -3.570 1.00 0.00 C ATOM 0 H LEU A 5 -8.078 5.380 -4.024 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.419 5.643 -5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.039 4.882 -2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.558 5.557 -3.077 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.177 7.073 -2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.163 8.238 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.375 6.499 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.764 7.142 -1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.753 9.051 -3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.333 7.992 -3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.653 7.912 -4.622 1.00 0.00 H new ATOM 84 N VAL A 6 -4.967 3.230 -5.481 1.00 0.00 N ATOM 85 CA VAL A 6 -4.767 1.822 -5.733 1.00 0.00 C ATOM 86 C VAL A 6 -3.322 1.431 -5.457 1.00 0.00 C ATOM 87 O VAL A 6 -2.401 2.179 -5.796 1.00 0.00 O ATOM 88 CB VAL A 6 -5.120 1.487 -7.202 1.00 0.00 C ATOM 89 CG1 VAL A 6 -5.330 -0.007 -7.389 1.00 0.00 C ATOM 90 CG2 VAL A 6 -6.350 2.270 -7.655 1.00 0.00 C ATOM 0 H VAL A 6 -4.329 3.847 -5.984 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.421 1.259 -5.067 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.277 1.785 -7.826 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.577 -0.212 -8.431 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.417 -0.539 -7.121 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.147 -0.342 -6.750 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.580 2.019 -8.690 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.199 2.012 -7.022 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.150 3.339 -7.576 1.00 0.00 H new ATOM 100 N PRO A 7 -3.091 0.255 -4.865 1.00 0.00 N ATOM 101 CA PRO A 7 -1.767 -0.316 -4.757 1.00 0.00 C ATOM 102 C PRO A 7 -1.408 -1.017 -6.055 1.00 0.00 C ATOM 103 O PRO A 7 -1.977 -2.052 -6.402 1.00 0.00 O ATOM 104 CB PRO A 7 -1.877 -1.308 -3.592 1.00 0.00 C ATOM 105 CG PRO A 7 -3.292 -1.222 -3.109 1.00 0.00 C ATOM 106 CD PRO A 7 -4.083 -0.601 -4.223 1.00 0.00 C ATOM 0 HA PRO A 7 -0.987 0.425 -4.580 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.637 -2.320 -3.917 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.177 -1.054 -2.796 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.679 -2.211 -2.862 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.357 -0.619 -2.203 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.479 -1.351 -4.908 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.933 -0.030 -3.850 1.00 0.00 H new ATOM 114 N VAL A 8 -0.484 -0.426 -6.775 1.00 0.00 N ATOM 115 CA VAL A 8 -0.171 -0.843 -8.127 1.00 0.00 C ATOM 116 C VAL A 8 0.608 -2.153 -8.129 1.00 0.00 C ATOM 117 O VAL A 8 0.214 -3.121 -8.779 1.00 0.00 O ATOM 118 CB VAL A 8 0.640 0.246 -8.854 1.00 0.00 C ATOM 119 CG1 VAL A 8 0.724 -0.043 -10.337 1.00 0.00 C ATOM 120 CG2 VAL A 8 0.032 1.620 -8.619 1.00 0.00 C ATOM 0 H VAL A 8 0.075 0.360 -6.442 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.113 -0.998 -8.654 1.00 0.00 H new ATOM 0 HB VAL A 8 1.650 0.240 -8.444 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.302 0.740 -10.828 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.211 -1.005 -10.493 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.280 -0.072 -10.759 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.622 2.373 -9.142 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.991 1.634 -8.995 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.029 1.839 -7.551 1.00 0.00 H new ATOM 130 N SER A 9 1.701 -2.180 -7.386 1.00 0.00 N ATOM 131 CA SER A 9 2.539 -3.360 -7.308 1.00 0.00 C ATOM 132 C SER A 9 3.317 -3.364 -5.996 1.00 0.00 C ATOM 133 O SER A 9 3.417 -2.331 -5.323 1.00 0.00 O ATOM 134 CB SER A 9 3.499 -3.400 -8.503 1.00 0.00 C ATOM 135 OG SER A 9 4.247 -4.605 -8.529 1.00 0.00 O ATOM 0 H SER A 9 2.029 -1.393 -6.826 1.00 0.00 H new ATOM 0 HA SER A 9 1.908 -4.248 -7.339 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.933 -3.302 -9.429 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.179 -2.549 -8.453 1.00 0.00 H new ATOM 0 HG SER A 9 4.848 -4.600 -9.303 1.00 0.00 H new ATOM 141 N LEU A 10 3.856 -4.522 -5.639 1.00 0.00 N ATOM 142 CA LEU A 10 4.637 -4.667 -4.420 1.00 0.00 C ATOM 143 C LEU A 10 5.987 -5.304 -4.737 1.00 0.00 C ATOM 144 O LEU A 10 6.061 -6.359 -5.364 1.00 0.00 O ATOM 145 CB LEU A 10 3.846 -5.525 -3.421 1.00 0.00 C ATOM 146 CG LEU A 10 4.631 -6.111 -2.241 1.00 0.00 C ATOM 147 CD1 LEU A 10 5.185 -5.021 -1.338 1.00 0.00 C ATOM 148 CD2 LEU A 10 3.739 -7.045 -1.443 1.00 0.00 C ATOM 0 H LEU A 10 3.765 -5.381 -6.182 1.00 0.00 H new ATOM 0 HA LEU A 10 4.824 -3.688 -3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.033 -4.919 -3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.389 -6.349 -3.968 1.00 0.00 H new ATOM 0 HG LEU A 10 5.477 -6.668 -2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.735 -5.476 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.855 -4.380 -1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.363 -4.425 -0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.302 -7.459 -0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.879 -6.492 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.395 -7.856 -2.085 1.00 0.00 H new ATOM 160 N THR A 11 7.047 -4.642 -4.308 1.00 0.00 N ATOM 161 CA THR A 11 8.401 -5.142 -4.478 1.00 0.00 C ATOM 162 C THR A 11 9.096 -5.276 -3.127 1.00 0.00 C ATOM 163 O THR A 11 9.065 -4.345 -2.327 1.00 0.00 O ATOM 164 CB THR A 11 9.231 -4.236 -5.400 1.00 0.00 C ATOM 165 OG1 THR A 11 9.201 -2.886 -4.917 1.00 0.00 O ATOM 166 CG2 THR A 11 8.703 -4.284 -6.826 1.00 0.00 C ATOM 0 H THR A 11 6.994 -3.742 -3.831 1.00 0.00 H new ATOM 0 HA THR A 11 8.326 -6.124 -4.945 1.00 0.00 H new ATOM 0 HB THR A 11 10.259 -4.598 -5.400 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.734 -2.315 -5.509 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.307 -3.635 -7.460 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.756 -5.307 -7.199 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.667 -3.945 -6.842 1.00 0.00 H new ATOM 174 N PRO A 12 9.733 -6.416 -2.842 1.00 0.00 N ATOM 175 CA PRO A 12 9.862 -7.526 -3.775 1.00 0.00 C ATOM 176 C PRO A 12 8.725 -8.537 -3.659 1.00 0.00 C ATOM 177 O PRO A 12 7.840 -8.405 -2.814 1.00 0.00 O ATOM 178 CB PRO A 12 11.181 -8.152 -3.333 1.00 0.00 C ATOM 179 CG PRO A 12 11.213 -7.949 -1.853 1.00 0.00 C ATOM 180 CD PRO A 12 10.415 -6.700 -1.568 1.00 0.00 C ATOM 0 HA PRO A 12 9.830 -7.205 -4.816 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.224 -9.210 -3.590 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.031 -7.672 -3.818 1.00 0.00 H new ATOM 0 HG2 PRO A 12 10.785 -8.808 -1.335 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.238 -7.842 -1.499 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.701 -6.858 -0.759 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.060 -5.874 -1.267 1.00 0.00 H new ATOM 188 N VAL A 13 8.756 -9.540 -4.522 1.00 0.00 N ATOM 189 CA VAL A 13 7.761 -10.602 -4.491 1.00 0.00 C ATOM 190 C VAL A 13 8.313 -11.827 -3.764 1.00 0.00 C ATOM 191 O VAL A 13 7.579 -12.759 -3.442 1.00 0.00 O ATOM 192 CB VAL A 13 7.301 -10.995 -5.913 1.00 0.00 C ATOM 193 CG1 VAL A 13 6.720 -9.785 -6.634 1.00 0.00 C ATOM 194 CG2 VAL A 13 8.442 -11.603 -6.717 1.00 0.00 C ATOM 0 H VAL A 13 9.460 -9.642 -5.253 1.00 0.00 H new ATOM 0 HA VAL A 13 6.894 -10.223 -3.951 1.00 0.00 H new ATOM 0 HB VAL A 13 6.523 -11.753 -5.818 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.400 -10.077 -7.634 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.864 -9.405 -6.076 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.479 -9.007 -6.708 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.085 -11.868 -7.712 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.252 -10.879 -6.803 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.807 -12.497 -6.212 1.00 0.00 H new ATOM 204 N THR A 14 9.620 -11.831 -3.549 1.00 0.00 N ATOM 205 CA THR A 14 10.267 -12.861 -2.751 1.00 0.00 C ATOM 206 C THR A 14 10.973 -12.225 -1.555 1.00 0.00 C ATOM 207 O THR A 14 11.412 -11.079 -1.639 1.00 0.00 O ATOM 208 CB THR A 14 11.272 -13.666 -3.591 1.00 0.00 C ATOM 209 OG1 THR A 14 11.597 -12.939 -4.786 1.00 0.00 O ATOM 210 CG2 THR A 14 10.716 -15.038 -3.956 1.00 0.00 C ATOM 0 H THR A 14 10.258 -11.126 -3.920 1.00 0.00 H new ATOM 0 HA THR A 14 9.500 -13.548 -2.394 1.00 0.00 H new ATOM 0 HB THR A 14 12.172 -13.814 -2.994 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.239 -13.454 -5.318 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.451 -15.582 -4.550 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.500 -15.597 -3.046 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.800 -14.917 -4.534 1.00 0.00 H new ATOM 218 N VAL A 15 11.097 -12.960 -0.456 1.00 0.00 N ATOM 219 CA VAL A 15 11.713 -12.424 0.755 1.00 0.00 C ATOM 220 C VAL A 15 12.534 -13.495 1.460 1.00 0.00 C ATOM 221 O VAL A 15 12.307 -14.689 1.263 1.00 0.00 O ATOM 222 CB VAL A 15 10.649 -11.887 1.743 1.00 0.00 C ATOM 223 CG1 VAL A 15 9.978 -10.636 1.200 1.00 0.00 C ATOM 224 CG2 VAL A 15 9.608 -12.956 2.047 1.00 0.00 C ATOM 0 H VAL A 15 10.781 -13.926 -0.377 1.00 0.00 H new ATOM 0 HA VAL A 15 12.360 -11.603 0.446 1.00 0.00 H new ATOM 0 HB VAL A 15 11.159 -11.624 2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.236 -10.282 1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.728 -9.861 1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.489 -10.867 0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.870 -12.558 2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.112 -13.254 1.123 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.096 -13.823 2.492 1.00 0.00 H new ATOM 234 N VAL A 16 13.492 -13.073 2.272 1.00 0.00 N ATOM 235 CA VAL A 16 14.360 -14.014 2.964 1.00 0.00 C ATOM 236 C VAL A 16 13.873 -14.211 4.405 1.00 0.00 C ATOM 237 O VAL A 16 13.631 -13.236 5.113 1.00 0.00 O ATOM 238 CB VAL A 16 15.828 -13.531 2.963 1.00 0.00 C ATOM 239 CG1 VAL A 16 16.781 -14.698 3.161 1.00 0.00 C ATOM 240 CG2 VAL A 16 16.156 -12.791 1.673 1.00 0.00 C ATOM 0 H VAL A 16 13.687 -12.091 2.467 1.00 0.00 H new ATOM 0 HA VAL A 16 14.319 -14.965 2.433 1.00 0.00 H new ATOM 0 HB VAL A 16 15.953 -12.839 3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 16 17.808 -14.334 3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 16 16.571 -15.181 4.115 1.00 0.00 H new ATOM 0 HG13 VAL A 16 16.648 -15.418 2.353 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.195 -12.461 1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 16 16.006 -13.457 0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 16 15.502 -11.924 1.574 1.00 0.00 H new ATOM 250 N PRO A 17 13.750 -15.469 4.870 1.00 0.00 N ATOM 251 CA PRO A 17 13.125 -15.796 6.165 1.00 0.00 C ATOM 252 C PRO A 17 14.028 -15.608 7.387 1.00 0.00 C ATOM 253 O PRO A 17 13.709 -16.102 8.470 1.00 0.00 O ATOM 254 CB PRO A 17 12.786 -17.290 6.031 1.00 0.00 C ATOM 255 CG PRO A 17 13.127 -17.672 4.627 1.00 0.00 C ATOM 256 CD PRO A 17 14.164 -16.692 4.174 1.00 0.00 C ATOM 0 HA PRO A 17 12.281 -15.129 6.343 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.356 -17.884 6.745 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.731 -17.470 6.238 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.508 -18.692 4.582 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.246 -17.632 3.987 1.00 0.00 H new ATOM 0 HD2 PRO A 17 15.170 -17.002 4.457 1.00 0.00 H new ATOM 0 HD3 PRO A 17 14.162 -16.566 3.091 1.00 0.00 H new ATOM 264 N ASN A 18 15.134 -14.901 7.237 1.00 0.00 N ATOM 265 CA ASN A 18 16.116 -14.825 8.318 1.00 0.00 C ATOM 266 C ASN A 18 16.478 -13.389 8.678 1.00 0.00 C ATOM 267 O ASN A 18 17.251 -13.151 9.606 1.00 0.00 O ATOM 268 CB ASN A 18 17.385 -15.574 7.913 1.00 0.00 C ATOM 269 CG ASN A 18 18.158 -14.854 6.824 1.00 0.00 C ATOM 270 OD1 ASN A 18 17.583 -14.145 6.000 1.00 0.00 O ATOM 271 ND2 ASN A 18 19.463 -15.026 6.817 1.00 0.00 N ATOM 0 H ASN A 18 15.377 -14.378 6.396 1.00 0.00 H new ATOM 0 HA ASN A 18 15.662 -15.283 9.197 1.00 0.00 H new ATOM 0 HB2 ASN A 18 18.024 -15.699 8.787 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.119 -16.573 7.567 1.00 0.00 H new ATOM 0 HD21 ASN A 18 20.035 -14.563 6.111 1.00 0.00 H new ATOM 0 HD22 ASN A 18 19.903 -15.622 7.518 1.00 0.00 H new ATOM 278 N THR A 19 15.919 -12.435 7.960 1.00 0.00 N ATOM 279 CA THR A 19 16.320 -11.051 8.121 1.00 0.00 C ATOM 280 C THR A 19 15.115 -10.129 7.983 1.00 0.00 C ATOM 281 O THR A 19 14.000 -10.592 7.722 1.00 0.00 O ATOM 282 CB THR A 19 17.403 -10.688 7.075 1.00 0.00 C ATOM 283 OG1 THR A 19 17.984 -9.412 7.368 1.00 0.00 O ATOM 284 CG2 THR A 19 16.824 -10.675 5.666 1.00 0.00 C ATOM 0 H THR A 19 15.190 -12.591 7.264 1.00 0.00 H new ATOM 0 HA THR A 19 16.739 -10.920 9.119 1.00 0.00 H new ATOM 0 HB THR A 19 18.178 -11.453 7.127 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.667 -9.202 6.697 1.00 0.00 H new ATOM 0 HG21 THR A 19 17.607 -10.417 4.953 1.00 0.00 H new ATOM 0 HG22 THR A 19 16.426 -11.661 5.427 1.00 0.00 H new ATOM 0 HG23 THR A 19 16.024 -9.937 5.608 1.00 0.00 H new ATOM 292 N VAL A 20 15.323 -8.832 8.178 1.00 0.00 N ATOM 293 CA VAL A 20 14.265 -7.872 7.947 1.00 0.00 C ATOM 294 C VAL A 20 14.175 -7.568 6.462 1.00 0.00 C ATOM 295 O VAL A 20 15.183 -7.360 5.783 1.00 0.00 O ATOM 296 CB VAL A 20 14.447 -6.562 8.744 1.00 0.00 C ATOM 297 CG1 VAL A 20 13.286 -5.611 8.486 1.00 0.00 C ATOM 298 CG2 VAL A 20 14.559 -6.858 10.227 1.00 0.00 C ATOM 0 H VAL A 20 16.206 -8.430 8.492 1.00 0.00 H new ATOM 0 HA VAL A 20 13.339 -8.324 8.302 1.00 0.00 H new ATOM 0 HB VAL A 20 15.368 -6.084 8.410 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.433 -4.694 9.057 1.00 0.00 H new ATOM 0 HG12 VAL A 20 13.239 -5.374 7.423 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.353 -6.084 8.793 1.00 0.00 H new ATOM 0 HG21 VAL A 20 14.687 -5.925 10.776 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.652 -7.358 10.568 1.00 0.00 H new ATOM 0 HG23 VAL A 20 15.418 -7.504 10.405 1.00 0.00 H new ATOM 308 N ASN A 21 12.959 -7.567 5.980 1.00 0.00 N ATOM 309 CA ASN A 21 12.661 -7.427 4.576 1.00 0.00 C ATOM 310 C ASN A 21 11.930 -6.128 4.361 1.00 0.00 C ATOM 311 O ASN A 21 10.991 -5.807 5.096 1.00 0.00 O ATOM 312 CB ASN A 21 11.838 -8.612 4.063 1.00 0.00 C ATOM 313 CG ASN A 21 12.666 -9.880 3.945 1.00 0.00 C ATOM 314 OD1 ASN A 21 13.222 -10.183 2.890 1.00 0.00 O ATOM 315 ND2 ASN A 21 12.766 -10.621 5.035 1.00 0.00 N ATOM 0 H ASN A 21 12.129 -7.666 6.565 1.00 0.00 H new ATOM 0 HA ASN A 21 13.593 -7.417 4.010 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.000 -8.789 4.738 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.416 -8.364 3.089 1.00 0.00 H new ATOM 0 HD21 ASN A 21 13.319 -11.478 5.020 1.00 0.00 H new ATOM 0 HD22 ASN A 21 12.290 -10.336 5.891 1.00 0.00 H new ATOM 322 N THR A 22 12.347 -5.370 3.377 1.00 0.00 N ATOM 323 CA THR A 22 11.785 -4.061 3.186 1.00 0.00 C ATOM 324 C THR A 22 10.911 -4.099 1.956 1.00 0.00 C ATOM 325 O THR A 22 11.356 -4.385 0.842 1.00 0.00 O ATOM 326 CB THR A 22 12.888 -2.998 3.012 1.00 0.00 C ATOM 327 OG1 THR A 22 13.844 -3.118 4.076 1.00 0.00 O ATOM 328 CG2 THR A 22 12.302 -1.593 3.007 1.00 0.00 C ATOM 0 H THR A 22 13.066 -5.635 2.704 1.00 0.00 H new ATOM 0 HA THR A 22 11.202 -3.788 4.065 1.00 0.00 H new ATOM 0 HB THR A 22 13.378 -3.167 2.053 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.545 -2.443 3.963 1.00 0.00 H new ATOM 0 HG21 THR A 22 13.104 -0.865 2.883 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.594 -1.497 2.184 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.788 -1.410 3.951 1.00 0.00 H new ATOM 336 N MET A 23 9.651 -3.818 2.199 1.00 0.00 N ATOM 337 CA MET A 23 8.599 -4.059 1.243 1.00 0.00 C ATOM 338 C MET A 23 8.103 -2.743 0.710 1.00 0.00 C ATOM 339 O MET A 23 7.679 -1.877 1.471 1.00 0.00 O ATOM 340 CB MET A 23 7.451 -4.837 1.893 1.00 0.00 C ATOM 341 CG MET A 23 7.894 -6.119 2.581 1.00 0.00 C ATOM 342 SD MET A 23 8.752 -7.252 1.471 1.00 0.00 S ATOM 343 CE MET A 23 7.454 -7.631 0.298 1.00 0.00 C ATOM 0 H MET A 23 9.326 -3.411 3.076 1.00 0.00 H new ATOM 0 HA MET A 23 8.991 -4.658 0.421 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.957 -4.196 2.623 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.712 -5.081 1.130 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.550 -5.870 3.415 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.022 -6.620 3.000 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.448 -8.702 0.095 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.491 -7.335 0.713 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.632 -7.087 -0.630 1.00 0.00 H new ATOM 353 N THR A 24 8.162 -2.591 -0.588 1.00 0.00 N ATOM 354 CA THR A 24 7.832 -1.339 -1.202 1.00 0.00 C ATOM 355 C THR A 24 6.556 -1.488 -2.000 1.00 0.00 C ATOM 356 O THR A 24 6.439 -2.340 -2.881 1.00 0.00 O ATOM 357 CB THR A 24 8.965 -0.866 -2.131 1.00 0.00 C ATOM 358 OG1 THR A 24 10.217 -0.897 -1.430 1.00 0.00 O ATOM 359 CG2 THR A 24 8.696 0.541 -2.642 1.00 0.00 C ATOM 0 H THR A 24 8.438 -3.326 -1.240 1.00 0.00 H new ATOM 0 HA THR A 24 7.695 -0.596 -0.417 1.00 0.00 H new ATOM 0 HB THR A 24 9.011 -1.541 -2.986 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.289 -0.107 -0.854 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.510 0.852 -3.296 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.759 0.553 -3.199 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.626 1.227 -1.798 1.00 0.00 H new ATOM 367 N ALA A 25 5.614 -0.636 -1.677 1.00 0.00 N ATOM 368 CA ALA A 25 4.308 -0.655 -2.269 1.00 0.00 C ATOM 369 C ALA A 25 4.089 0.664 -2.966 1.00 0.00 C ATOM 370 O ALA A 25 4.350 1.723 -2.403 1.00 0.00 O ATOM 371 CB ALA A 25 3.241 -0.889 -1.212 1.00 0.00 C ATOM 0 H ALA A 25 5.740 0.101 -0.983 1.00 0.00 H new ATOM 0 HA ALA A 25 4.237 -1.472 -2.988 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.258 -0.900 -1.683 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.419 -1.846 -0.721 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.280 -0.089 -0.472 1.00 0.00 H new ATOM 377 N THR A 26 3.628 0.603 -4.185 1.00 0.00 N ATOM 378 CA THR A 26 3.503 1.789 -4.996 1.00 0.00 C ATOM 379 C THR A 26 2.041 2.066 -5.220 1.00 0.00 C ATOM 380 O THR A 26 1.306 1.227 -5.730 1.00 0.00 O ATOM 381 CB THR A 26 4.213 1.629 -6.358 1.00 0.00 C ATOM 382 OG1 THR A 26 5.609 1.371 -6.152 1.00 0.00 O ATOM 383 CG2 THR A 26 4.037 2.876 -7.223 1.00 0.00 C ATOM 0 H THR A 26 3.331 -0.259 -4.643 1.00 0.00 H new ATOM 0 HA THR A 26 3.978 2.618 -4.472 1.00 0.00 H new ATOM 0 HB THR A 26 3.760 0.787 -6.881 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.052 2.191 -5.850 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.548 2.733 -8.175 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.976 3.047 -7.403 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.462 3.738 -6.709 1.00 0.00 H new ATOM 391 N ILE A 27 1.624 3.242 -4.801 1.00 0.00 N ATOM 392 CA ILE A 27 0.224 3.587 -4.780 1.00 0.00 C ATOM 393 C ILE A 27 0.007 4.731 -5.741 1.00 0.00 C ATOM 394 O ILE A 27 0.754 5.710 -5.733 1.00 0.00 O ATOM 395 CB ILE A 27 -0.230 4.044 -3.366 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.371 3.150 -2.268 1.00 0.00 C ATOM 397 CG2 ILE A 27 -1.749 4.060 -3.265 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.061 1.699 -2.334 1.00 0.00 C ATOM 0 H ILE A 27 2.244 3.980 -4.468 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.355 2.707 -5.060 1.00 0.00 H new ATOM 0 HB ILE A 27 0.139 5.058 -3.214 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.458 3.196 -2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.093 3.555 -1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.044 4.383 -2.267 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.156 4.750 -4.004 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.137 3.058 -3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.410 1.142 -1.524 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.145 1.637 -2.235 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.241 1.273 -3.291 1.00 0.00 H new ATOM 410 N GLU A 28 -0.996 4.590 -6.577 1.00 0.00 N ATOM 411 CA GLU A 28 -1.288 5.582 -7.580 1.00 0.00 C ATOM 412 C GLU A 28 -2.733 6.024 -7.441 1.00 0.00 C ATOM 413 O GLU A 28 -3.595 5.242 -7.032 1.00 0.00 O ATOM 414 CB GLU A 28 -1.018 4.975 -8.963 1.00 0.00 C ATOM 415 CG GLU A 28 -1.376 5.859 -10.141 1.00 0.00 C ATOM 416 CD GLU A 28 -0.704 7.212 -10.093 1.00 0.00 C ATOM 417 OE1 GLU A 28 0.510 7.278 -10.374 1.00 0.00 O ATOM 418 OE2 GLU A 28 -1.386 8.203 -9.779 1.00 0.00 O ATOM 0 H GLU A 28 -1.627 3.789 -6.580 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.653 6.459 -7.454 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.040 4.721 -9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.576 4.042 -9.047 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.096 5.354 -11.065 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.457 5.998 -10.168 1.00 0.00 H new ATOM 425 N ASN A 29 -2.988 7.274 -7.776 1.00 0.00 N ATOM 426 CA ASN A 29 -4.306 7.852 -7.603 1.00 0.00 C ATOM 427 C ASN A 29 -5.048 7.886 -8.927 1.00 0.00 C ATOM 428 O ASN A 29 -4.877 8.804 -9.735 1.00 0.00 O ATOM 429 CB ASN A 29 -4.202 9.253 -6.996 1.00 0.00 C ATOM 430 CG ASN A 29 -5.548 9.936 -6.820 1.00 0.00 C ATOM 431 OD1 ASN A 29 -6.591 9.288 -6.709 1.00 0.00 O ATOM 432 ND2 ASN A 29 -5.526 11.256 -6.756 1.00 0.00 N ATOM 0 H ASN A 29 -2.296 7.911 -8.171 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.873 7.227 -6.913 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.708 9.185 -6.027 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.570 9.871 -7.634 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.392 11.774 -6.610 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.643 11.757 -6.852 1.00 0.00 H new ATOM 439 N GLN A 30 -5.867 6.870 -9.141 1.00 0.00 N ATOM 440 CA GLN A 30 -6.643 6.744 -10.356 1.00 0.00 C ATOM 441 C GLN A 30 -7.972 7.475 -10.199 1.00 0.00 C ATOM 442 O GLN A 30 -9.051 6.893 -10.288 1.00 0.00 O ATOM 443 CB GLN A 30 -6.848 5.266 -10.707 1.00 0.00 C ATOM 444 CG GLN A 30 -5.535 4.524 -10.930 1.00 0.00 C ATOM 445 CD GLN A 30 -5.726 3.075 -11.340 1.00 0.00 C ATOM 446 OE1 GLN A 30 -6.709 2.433 -10.971 1.00 0.00 O ATOM 447 NE2 GLN A 30 -4.776 2.543 -12.095 1.00 0.00 N ATOM 0 H GLN A 30 -6.010 6.111 -8.475 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.100 7.204 -11.182 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.403 4.780 -9.904 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.459 5.192 -11.607 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.961 5.039 -11.700 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.945 4.560 -10.014 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.976 3.107 -12.381 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.845 1.569 -12.390 1.00 0.00 H new ATOM 456 N GLY A 31 -7.853 8.776 -9.998 1.00 0.00 N ATOM 457 CA GLY A 31 -8.988 9.656 -9.854 1.00 0.00 C ATOM 458 C GLY A 31 -8.512 11.090 -9.798 1.00 0.00 C ATOM 459 O GLY A 31 -7.417 11.364 -9.306 1.00 0.00 O ATOM 0 H GLY A 31 -6.953 9.251 -9.930 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.674 9.522 -10.691 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.540 9.409 -8.947 1.00 0.00 H new ATOM 463 N ASN A 32 -9.314 11.999 -10.322 1.00 0.00 N ATOM 464 CA ASN A 32 -8.831 13.331 -10.678 1.00 0.00 C ATOM 465 C ASN A 32 -8.843 14.320 -9.512 1.00 0.00 C ATOM 466 O ASN A 32 -8.592 15.506 -9.706 1.00 0.00 O ATOM 467 CB ASN A 32 -9.641 13.885 -11.855 1.00 0.00 C ATOM 468 CG ASN A 32 -11.113 14.083 -11.541 1.00 0.00 C ATOM 469 OD1 ASN A 32 -11.680 13.418 -10.673 1.00 0.00 O ATOM 470 ND2 ASN A 32 -11.747 14.984 -12.269 1.00 0.00 N ATOM 0 H ASN A 32 -10.304 11.844 -10.513 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.786 13.215 -10.965 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.212 14.839 -12.163 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.547 13.205 -12.702 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -12.743 15.150 -12.122 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.241 15.514 -12.978 1.00 0.00 H new ATOM 477 N LYS A 33 -9.113 13.846 -8.307 1.00 0.00 N ATOM 478 CA LYS A 33 -9.016 14.709 -7.137 1.00 0.00 C ATOM 479 C LYS A 33 -7.817 14.319 -6.279 1.00 0.00 C ATOM 480 O LYS A 33 -7.509 13.135 -6.130 1.00 0.00 O ATOM 481 CB LYS A 33 -10.294 14.659 -6.293 1.00 0.00 C ATOM 482 CG LYS A 33 -10.299 15.679 -5.163 1.00 0.00 C ATOM 483 CD LYS A 33 -11.560 15.601 -4.318 1.00 0.00 C ATOM 484 CE LYS A 33 -11.609 16.729 -3.299 1.00 0.00 C ATOM 485 NZ LYS A 33 -12.788 16.622 -2.401 1.00 0.00 N ATOM 0 H LYS A 33 -9.396 12.886 -8.112 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.883 15.729 -7.497 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -11.156 14.834 -6.937 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.407 13.659 -5.874 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.428 15.517 -4.527 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.207 16.681 -5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.437 15.652 -4.963 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.598 14.641 -3.804 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.697 16.717 -2.702 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.637 17.686 -3.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.781 17.411 -1.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.660 16.660 -2.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.750 15.721 -1.884 1.00 0.00 H new ATOM 499 N ASP A 34 -7.138 15.322 -5.737 1.00 0.00 N ATOM 500 CA ASP A 34 -6.036 15.101 -4.804 1.00 0.00 C ATOM 501 C ASP A 34 -6.585 14.692 -3.441 1.00 0.00 C ATOM 502 O ASP A 34 -7.553 15.276 -2.950 1.00 0.00 O ATOM 503 CB ASP A 34 -5.176 16.371 -4.697 1.00 0.00 C ATOM 504 CG ASP A 34 -4.321 16.428 -3.442 1.00 0.00 C ATOM 505 OD1 ASP A 34 -3.524 15.500 -3.207 1.00 0.00 O ATOM 506 OD2 ASP A 34 -4.447 17.419 -2.684 1.00 0.00 O ATOM 0 H ASP A 34 -7.332 16.305 -5.928 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.404 14.293 -5.174 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.527 16.434 -5.571 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.829 17.244 -4.721 1.00 0.00 H new ATOM 511 N SER A 35 -5.975 13.681 -2.840 1.00 0.00 N ATOM 512 CA SER A 35 -6.483 13.107 -1.602 1.00 0.00 C ATOM 513 C SER A 35 -5.827 13.763 -0.387 1.00 0.00 C ATOM 514 O SER A 35 -5.281 14.859 -0.485 1.00 0.00 O ATOM 515 CB SER A 35 -6.236 11.596 -1.595 1.00 0.00 C ATOM 516 OG SER A 35 -4.860 11.302 -1.762 1.00 0.00 O ATOM 0 H SER A 35 -5.125 13.240 -3.191 1.00 0.00 H new ATOM 0 HA SER A 35 -7.555 13.294 -1.544 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.590 11.171 -0.656 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.811 11.127 -2.394 1.00 0.00 H new ATOM 0 HG SER A 35 -4.599 11.476 -2.690 1.00 0.00 H new ATOM 522 N THR A 36 -5.908 13.104 0.757 1.00 0.00 N ATOM 523 CA THR A 36 -5.293 13.600 1.977 1.00 0.00 C ATOM 524 C THR A 36 -4.481 12.496 2.652 1.00 0.00 C ATOM 525 O THR A 36 -4.223 11.453 2.049 1.00 0.00 O ATOM 526 CB THR A 36 -6.356 14.142 2.953 1.00 0.00 C ATOM 527 OG1 THR A 36 -7.483 13.255 2.993 1.00 0.00 O ATOM 528 CG2 THR A 36 -6.809 15.538 2.554 1.00 0.00 C ATOM 0 H THR A 36 -6.398 12.216 0.866 1.00 0.00 H new ATOM 0 HA THR A 36 -4.626 14.418 1.706 1.00 0.00 H new ATOM 0 HB THR A 36 -5.906 14.201 3.944 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.153 13.605 3.616 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.559 15.893 3.261 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.954 16.214 2.561 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.240 15.509 1.553 1.00 0.00 H new ATOM 536 N SER A 37 -4.072 12.736 3.892 1.00 0.00 N ATOM 537 CA SER A 37 -3.310 11.763 4.658 1.00 0.00 C ATOM 538 C SER A 37 -4.094 10.464 4.820 1.00 0.00 C ATOM 539 O SER A 37 -5.229 10.469 5.302 1.00 0.00 O ATOM 540 CB SER A 37 -2.966 12.353 6.025 1.00 0.00 C ATOM 541 OG SER A 37 -2.398 13.646 5.880 1.00 0.00 O ATOM 0 H SER A 37 -4.259 13.606 4.391 1.00 0.00 H new ATOM 0 HA SER A 37 -2.390 11.532 4.121 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.865 12.411 6.639 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.266 11.698 6.545 1.00 0.00 H new ATOM 0 HG SER A 37 -1.925 13.701 5.024 1.00 0.00 H new ATOM 547 N PHE A 38 -3.491 9.362 4.402 1.00 0.00 N ATOM 548 CA PHE A 38 -4.135 8.062 4.480 1.00 0.00 C ATOM 549 C PHE A 38 -3.143 7.019 4.988 1.00 0.00 C ATOM 550 O PHE A 38 -1.933 7.140 4.777 1.00 0.00 O ATOM 551 CB PHE A 38 -4.711 7.658 3.114 1.00 0.00 C ATOM 552 CG PHE A 38 -3.674 7.413 2.053 1.00 0.00 C ATOM 553 CD1 PHE A 38 -3.015 8.466 1.437 1.00 0.00 C ATOM 554 CD2 PHE A 38 -3.360 6.121 1.674 1.00 0.00 C ATOM 555 CE1 PHE A 38 -2.061 8.229 0.467 1.00 0.00 C ATOM 556 CE2 PHE A 38 -2.407 5.883 0.707 1.00 0.00 C ATOM 557 CZ PHE A 38 -1.759 6.933 0.104 1.00 0.00 C ATOM 0 H PHE A 38 -2.552 9.343 4.004 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.965 8.121 5.184 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.308 6.754 3.237 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.386 8.442 2.771 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.250 9.482 1.719 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.867 5.289 2.141 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.553 9.056 -0.006 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.169 4.868 0.423 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.013 6.744 -0.654 1.00 0.00 H new ATOM 567 N ASN A 39 -3.655 6.004 5.662 1.00 0.00 N ATOM 568 CA ASN A 39 -2.812 5.006 6.314 1.00 0.00 C ATOM 569 C ASN A 39 -2.691 3.746 5.470 1.00 0.00 C ATOM 570 O ASN A 39 -3.644 2.988 5.348 1.00 0.00 O ATOM 571 CB ASN A 39 -3.400 4.631 7.678 1.00 0.00 C ATOM 572 CG ASN A 39 -3.589 5.822 8.594 1.00 0.00 C ATOM 573 OD1 ASN A 39 -2.711 6.153 9.392 1.00 0.00 O ATOM 574 ND2 ASN A 39 -4.734 6.480 8.481 1.00 0.00 N ATOM 0 H ASN A 39 -4.656 5.845 5.775 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.821 5.444 6.439 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.361 4.139 7.529 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.744 3.908 8.163 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.914 7.294 9.068 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.435 6.172 7.807 1.00 0.00 H new ATOM 581 N VAL A 40 -1.524 3.496 4.906 1.00 0.00 N ATOM 582 CA VAL A 40 -1.322 2.283 4.131 1.00 0.00 C ATOM 583 C VAL A 40 -0.635 1.232 4.989 1.00 0.00 C ATOM 584 O VAL A 40 0.502 1.408 5.430 1.00 0.00 O ATOM 585 CB VAL A 40 -0.539 2.549 2.818 1.00 0.00 C ATOM 586 CG1 VAL A 40 0.238 1.321 2.368 1.00 0.00 C ATOM 587 CG2 VAL A 40 -1.502 2.962 1.726 1.00 0.00 C ATOM 0 H VAL A 40 -0.710 4.107 4.968 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.300 1.906 3.831 1.00 0.00 H new ATOM 0 HB VAL A 40 0.175 3.349 3.012 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.773 1.547 1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.952 1.038 3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.453 0.497 2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.950 3.148 0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.227 2.165 1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.024 3.871 2.026 1.00 0.00 H new ATOM 597 N SER A 41 -1.361 0.160 5.255 1.00 0.00 N ATOM 598 CA SER A 41 -0.886 -0.893 6.131 1.00 0.00 C ATOM 599 C SER A 41 -0.644 -2.177 5.349 1.00 0.00 C ATOM 600 O SER A 41 -1.401 -2.507 4.431 1.00 0.00 O ATOM 601 CB SER A 41 -1.909 -1.134 7.241 1.00 0.00 C ATOM 602 OG SER A 41 -3.205 -1.327 6.699 1.00 0.00 O ATOM 0 H SER A 41 -2.292 -0.003 4.871 1.00 0.00 H new ATOM 0 HA SER A 41 0.061 -0.583 6.573 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.620 -2.008 7.824 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.918 -0.284 7.924 1.00 0.00 H new ATOM 0 HG SER A 41 -3.844 -1.481 7.426 1.00 0.00 H new ATOM 608 N LEU A 42 0.410 -2.888 5.709 1.00 0.00 N ATOM 609 CA LEU A 42 0.719 -4.160 5.086 1.00 0.00 C ATOM 610 C LEU A 42 0.175 -5.299 5.933 1.00 0.00 C ATOM 611 O LEU A 42 0.611 -5.508 7.071 1.00 0.00 O ATOM 612 CB LEU A 42 2.229 -4.320 4.908 1.00 0.00 C ATOM 613 CG LEU A 42 2.667 -5.611 4.213 1.00 0.00 C ATOM 614 CD1 LEU A 42 2.160 -5.646 2.777 1.00 0.00 C ATOM 615 CD2 LEU A 42 4.180 -5.749 4.248 1.00 0.00 C ATOM 0 H LEU A 42 1.069 -2.603 6.434 1.00 0.00 H new ATOM 0 HA LEU A 42 0.249 -4.187 4.103 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.604 -3.472 4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.702 -4.275 5.889 1.00 0.00 H new ATOM 0 HG LEU A 42 2.232 -6.454 4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.482 -6.572 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.071 -5.596 2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.564 -4.795 2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.473 -6.673 3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.635 -4.901 3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.519 -5.773 5.284 1.00 0.00 H new ATOM 627 N LEU A 43 -0.789 -6.018 5.388 1.00 0.00 N ATOM 628 CA LEU A 43 -1.382 -7.144 6.085 1.00 0.00 C ATOM 629 C LEU A 43 -0.757 -8.446 5.608 1.00 0.00 C ATOM 630 O LEU A 43 -0.607 -8.667 4.410 1.00 0.00 O ATOM 631 CB LEU A 43 -2.902 -7.194 5.871 1.00 0.00 C ATOM 632 CG LEU A 43 -3.686 -5.969 6.355 1.00 0.00 C ATOM 633 CD1 LEU A 43 -3.647 -4.855 5.325 1.00 0.00 C ATOM 634 CD2 LEU A 43 -5.121 -6.352 6.678 1.00 0.00 C ATOM 0 H LEU A 43 -1.179 -5.841 4.462 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.188 -7.016 7.150 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.096 -7.328 4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.292 -8.076 6.380 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.213 -5.600 7.265 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.211 -3.998 5.694 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.613 -4.560 5.148 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.089 -5.206 4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.664 -5.471 7.020 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.601 -6.750 5.784 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.128 -7.110 7.462 1.00 0.00 H new ATOM 646 N VAL A 44 -0.380 -9.289 6.552 1.00 0.00 N ATOM 647 CA VAL A 44 0.187 -10.589 6.246 1.00 0.00 C ATOM 648 C VAL A 44 -0.758 -11.688 6.711 1.00 0.00 C ATOM 649 O VAL A 44 -0.854 -11.971 7.907 1.00 0.00 O ATOM 650 CB VAL A 44 1.569 -10.781 6.907 1.00 0.00 C ATOM 651 CG1 VAL A 44 2.126 -12.163 6.605 1.00 0.00 C ATOM 652 CG2 VAL A 44 2.538 -9.706 6.443 1.00 0.00 C ATOM 0 H VAL A 44 -0.458 -9.092 7.550 1.00 0.00 H new ATOM 0 HA VAL A 44 0.320 -10.646 5.166 1.00 0.00 H new ATOM 0 HB VAL A 44 1.443 -10.691 7.986 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.100 -12.275 7.081 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.445 -12.922 6.990 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.233 -12.285 5.527 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.506 -9.858 6.920 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.654 -9.763 5.361 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.150 -8.724 6.715 1.00 0.00 H new ATOM 662 N ASP A 45 -1.492 -12.258 5.757 1.00 0.00 N ATOM 663 CA ASP A 45 -2.444 -13.342 6.024 1.00 0.00 C ATOM 664 C ASP A 45 -3.518 -12.921 7.029 1.00 0.00 C ATOM 665 O ASP A 45 -4.191 -13.765 7.621 1.00 0.00 O ATOM 666 CB ASP A 45 -1.719 -14.603 6.516 1.00 0.00 C ATOM 667 CG ASP A 45 -1.095 -15.400 5.384 1.00 0.00 C ATOM 668 OD1 ASP A 45 -1.825 -16.163 4.718 1.00 0.00 O ATOM 669 OD2 ASP A 45 0.128 -15.272 5.149 1.00 0.00 O ATOM 0 H ASP A 45 -1.446 -11.983 4.776 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.941 -13.571 5.081 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.942 -14.317 7.225 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.424 -15.236 7.055 1.00 0.00 H new ATOM 674 N GLY A 46 -3.690 -11.616 7.205 1.00 0.00 N ATOM 675 CA GLY A 46 -4.725 -11.122 8.091 1.00 0.00 C ATOM 676 C GLY A 46 -4.206 -10.124 9.104 1.00 0.00 C ATOM 677 O GLY A 46 -4.876 -9.138 9.410 1.00 0.00 O ATOM 0 H GLY A 46 -3.132 -10.893 6.751 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.511 -10.655 7.498 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.179 -11.963 8.616 1.00 0.00 H new ATOM 681 N ILE A 47 -3.012 -10.369 9.622 1.00 0.00 N ATOM 682 CA ILE A 47 -2.444 -9.509 10.651 1.00 0.00 C ATOM 683 C ILE A 47 -1.686 -8.353 10.012 1.00 0.00 C ATOM 684 O ILE A 47 -1.148 -8.488 8.919 1.00 0.00 O ATOM 685 CB ILE A 47 -1.481 -10.284 11.577 1.00 0.00 C ATOM 686 CG1 ILE A 47 -2.016 -11.693 11.853 1.00 0.00 C ATOM 687 CG2 ILE A 47 -1.279 -9.528 12.887 1.00 0.00 C ATOM 688 CD1 ILE A 47 -1.069 -12.558 12.659 1.00 0.00 C ATOM 0 H ILE A 47 -2.419 -11.153 9.349 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.274 -9.131 11.248 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.518 -10.373 11.074 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.964 -11.614 12.385 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.224 -12.185 10.903 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.598 -10.087 13.529 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.856 -8.545 12.678 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.238 -9.411 13.391 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.516 -13.540 12.814 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.129 -12.669 12.119 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.880 -12.089 13.624 1.00 0.00 H new ATOM 700 N VAL A 48 -1.643 -7.226 10.693 1.00 0.00 N ATOM 701 CA VAL A 48 -0.951 -6.052 10.182 1.00 0.00 C ATOM 702 C VAL A 48 0.449 -5.977 10.773 1.00 0.00 C ATOM 703 O VAL A 48 0.607 -5.921 11.992 1.00 0.00 O ATOM 704 CB VAL A 48 -1.714 -4.751 10.513 1.00 0.00 C ATOM 705 CG1 VAL A 48 -1.021 -3.550 9.890 1.00 0.00 C ATOM 706 CG2 VAL A 48 -3.157 -4.837 10.043 1.00 0.00 C ATOM 0 H VAL A 48 -2.080 -7.094 11.605 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.895 -6.149 9.098 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.715 -4.625 11.596 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.574 -2.643 10.135 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.006 -3.473 10.280 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.985 -3.672 8.807 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.675 -3.909 10.287 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.180 -4.993 8.964 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.653 -5.671 10.540 1.00 0.00 H new ATOM 716 N VAL A 49 1.462 -5.981 9.916 1.00 0.00 N ATOM 717 CA VAL A 49 2.844 -5.975 10.383 1.00 0.00 C ATOM 718 C VAL A 49 3.419 -4.561 10.445 1.00 0.00 C ATOM 719 O VAL A 49 4.229 -4.257 11.318 1.00 0.00 O ATOM 720 CB VAL A 49 3.754 -6.865 9.507 1.00 0.00 C ATOM 721 CG1 VAL A 49 3.381 -8.330 9.670 1.00 0.00 C ATOM 722 CG2 VAL A 49 3.680 -6.457 8.041 1.00 0.00 C ATOM 0 H VAL A 49 1.355 -5.988 8.902 1.00 0.00 H new ATOM 0 HA VAL A 49 2.823 -6.387 11.392 1.00 0.00 H new ATOM 0 HB VAL A 49 4.782 -6.726 9.842 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.032 -8.943 9.046 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.499 -8.622 10.714 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.344 -8.477 9.367 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.331 -7.102 7.451 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.654 -6.556 7.687 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.002 -5.421 7.935 1.00 0.00 H new ATOM 732 N ASP A 50 2.994 -3.697 9.532 1.00 0.00 N ATOM 733 CA ASP A 50 3.512 -2.335 9.481 1.00 0.00 C ATOM 734 C ASP A 50 2.513 -1.409 8.799 1.00 0.00 C ATOM 735 O ASP A 50 1.888 -1.784 7.803 1.00 0.00 O ATOM 736 CB ASP A 50 4.859 -2.309 8.745 1.00 0.00 C ATOM 737 CG ASP A 50 5.589 -0.986 8.890 1.00 0.00 C ATOM 738 OD1 ASP A 50 5.424 -0.320 9.934 1.00 0.00 O ATOM 739 OD2 ASP A 50 6.345 -0.615 7.969 1.00 0.00 O ATOM 0 H ASP A 50 2.296 -3.913 8.820 1.00 0.00 H new ATOM 0 HA ASP A 50 3.665 -1.981 10.501 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.491 -3.110 9.128 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.693 -2.512 7.687 1.00 0.00 H new ATOM 744 N THR A 51 2.347 -0.215 9.349 1.00 0.00 N ATOM 745 CA THR A 51 1.422 0.769 8.809 1.00 0.00 C ATOM 746 C THR A 51 2.139 2.095 8.574 1.00 0.00 C ATOM 747 O THR A 51 2.722 2.665 9.497 1.00 0.00 O ATOM 748 CB THR A 51 0.240 1.002 9.773 1.00 0.00 C ATOM 749 OG1 THR A 51 -0.374 -0.249 10.114 1.00 0.00 O ATOM 750 CG2 THR A 51 -0.798 1.928 9.151 1.00 0.00 C ATOM 0 H THR A 51 2.849 0.098 10.180 1.00 0.00 H new ATOM 0 HA THR A 51 1.040 0.383 7.864 1.00 0.00 H new ATOM 0 HB THR A 51 0.629 1.473 10.675 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.122 -0.090 10.727 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.620 2.075 9.851 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.338 2.890 8.924 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.179 1.482 8.232 1.00 0.00 H new ATOM 758 N GLN A 52 2.097 2.586 7.345 1.00 0.00 N ATOM 759 CA GLN A 52 2.762 3.832 7.011 1.00 0.00 C ATOM 760 C GLN A 52 1.737 4.894 6.623 1.00 0.00 C ATOM 761 O GLN A 52 1.055 4.771 5.601 1.00 0.00 O ATOM 762 CB GLN A 52 3.754 3.619 5.866 1.00 0.00 C ATOM 763 CG GLN A 52 4.849 4.671 5.816 1.00 0.00 C ATOM 764 CD GLN A 52 5.557 4.730 4.479 1.00 0.00 C ATOM 765 OE1 GLN A 52 6.550 4.042 4.250 1.00 0.00 O ATOM 766 NE2 GLN A 52 5.055 5.567 3.586 1.00 0.00 N ATOM 0 H GLN A 52 1.611 2.141 6.566 1.00 0.00 H new ATOM 0 HA GLN A 52 3.309 4.175 7.889 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.210 2.634 5.968 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.213 3.623 4.920 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.416 5.647 6.034 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.579 4.464 6.598 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.229 6.121 3.814 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.494 5.658 2.670 1.00 0.00 H new ATOM 775 N THR A 53 1.612 5.920 7.451 1.00 0.00 N ATOM 776 CA THR A 53 0.714 7.027 7.162 1.00 0.00 C ATOM 777 C THR A 53 1.327 7.958 6.117 1.00 0.00 C ATOM 778 O THR A 53 2.339 8.616 6.369 1.00 0.00 O ATOM 779 CB THR A 53 0.389 7.827 8.441 1.00 0.00 C ATOM 780 OG1 THR A 53 -0.038 6.932 9.479 1.00 0.00 O ATOM 781 CG2 THR A 53 -0.703 8.855 8.178 1.00 0.00 C ATOM 0 H THR A 53 2.122 6.009 8.330 1.00 0.00 H new ATOM 0 HA THR A 53 -0.212 6.607 6.768 1.00 0.00 H new ATOM 0 HB THR A 53 1.292 8.351 8.754 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.988 6.722 9.360 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.913 9.405 9.095 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.371 9.549 7.406 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.608 8.347 7.844 1.00 0.00 H new ATOM 789 N VAL A 54 0.713 7.996 4.943 1.00 0.00 N ATOM 790 CA VAL A 54 1.189 8.830 3.850 1.00 0.00 C ATOM 791 C VAL A 54 0.665 10.256 4.018 1.00 0.00 C ATOM 792 O VAL A 54 -0.456 10.454 4.484 1.00 0.00 O ATOM 793 CB VAL A 54 0.735 8.268 2.484 1.00 0.00 C ATOM 794 CG1 VAL A 54 1.361 9.047 1.336 1.00 0.00 C ATOM 795 CG2 VAL A 54 1.065 6.784 2.373 1.00 0.00 C ATOM 0 H VAL A 54 -0.123 7.454 4.723 1.00 0.00 H new ATOM 0 HA VAL A 54 2.279 8.834 3.876 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.347 8.383 2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.024 8.630 0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.061 10.093 1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.447 8.977 1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.736 6.410 1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.141 6.642 2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.554 6.237 3.165 1.00 0.00 H new ATOM 805 N THR A 55 1.481 11.237 3.647 1.00 0.00 N ATOM 806 CA THR A 55 1.110 12.639 3.787 1.00 0.00 C ATOM 807 C THR A 55 -0.117 12.977 2.931 1.00 0.00 C ATOM 808 O THR A 55 -1.077 13.572 3.422 1.00 0.00 O ATOM 809 CB THR A 55 2.281 13.560 3.389 1.00 0.00 C ATOM 810 OG1 THR A 55 3.478 13.150 4.070 1.00 0.00 O ATOM 811 CG2 THR A 55 1.978 15.013 3.728 1.00 0.00 C ATOM 0 H THR A 55 2.406 11.085 3.246 1.00 0.00 H new ATOM 0 HA THR A 55 0.864 12.805 4.836 1.00 0.00 H new ATOM 0 HB THR A 55 2.423 13.479 2.311 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.219 13.738 3.812 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.822 15.638 3.436 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.086 15.334 3.191 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.810 15.109 4.801 1.00 0.00 H new ATOM 819 N SER A 56 -0.077 12.578 1.662 1.00 0.00 N ATOM 820 CA SER A 56 -1.154 12.861 0.720 1.00 0.00 C ATOM 821 C SER A 56 -0.827 12.223 -0.626 1.00 0.00 C ATOM 822 O SER A 56 0.319 11.836 -0.863 1.00 0.00 O ATOM 823 CB SER A 56 -1.326 14.377 0.552 1.00 0.00 C ATOM 824 OG SER A 56 -2.475 14.691 -0.217 1.00 0.00 O ATOM 0 H SER A 56 0.699 12.052 1.260 1.00 0.00 H new ATOM 0 HA SER A 56 -2.086 12.445 1.104 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.405 14.845 1.533 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.441 14.793 0.071 1.00 0.00 H new ATOM 0 HG SER A 56 -2.555 15.664 -0.303 1.00 0.00 H new ATOM 830 N LEU A 57 -1.821 12.105 -1.498 1.00 0.00 N ATOM 831 CA LEU A 57 -1.587 11.596 -2.841 1.00 0.00 C ATOM 832 C LEU A 57 -2.401 12.380 -3.867 1.00 0.00 C ATOM 833 O LEU A 57 -3.632 12.288 -3.914 1.00 0.00 O ATOM 834 CB LEU A 57 -1.909 10.100 -2.927 1.00 0.00 C ATOM 835 CG LEU A 57 -1.443 9.424 -4.219 1.00 0.00 C ATOM 836 CD1 LEU A 57 0.028 9.717 -4.460 1.00 0.00 C ATOM 837 CD2 LEU A 57 -1.676 7.923 -4.159 1.00 0.00 C ATOM 0 H LEU A 57 -2.790 12.353 -1.300 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.529 11.728 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.448 9.593 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.987 9.967 -2.830 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.026 9.827 -5.047 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.349 9.232 -5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.175 10.794 -4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.616 9.336 -3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.337 7.465 -5.088 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.119 7.502 -3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.739 7.725 -4.024 1.00 0.00 H new ATOM 849 N GLU A 58 -1.696 13.159 -4.672 1.00 0.00 N ATOM 850 CA GLU A 58 -2.309 13.999 -5.690 1.00 0.00 C ATOM 851 C GLU A 58 -2.779 13.163 -6.878 1.00 0.00 C ATOM 852 O GLU A 58 -2.519 11.962 -6.947 1.00 0.00 O ATOM 853 CB GLU A 58 -1.312 15.065 -6.165 1.00 0.00 C ATOM 854 CG GLU A 58 -0.767 15.952 -5.051 1.00 0.00 C ATOM 855 CD GLU A 58 0.455 15.376 -4.350 1.00 0.00 C ATOM 856 OE1 GLU A 58 0.661 14.143 -4.382 1.00 0.00 O ATOM 857 OE2 GLU A 58 1.224 16.162 -3.757 1.00 0.00 O ATOM 0 H GLU A 58 -0.679 13.227 -4.638 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.177 14.489 -5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.477 14.570 -6.661 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.798 15.694 -6.910 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.510 16.926 -5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.553 16.118 -4.314 1.00 0.00 H new ATOM 864 N SER A 59 -3.461 13.795 -7.821 1.00 0.00 N ATOM 865 CA SER A 59 -3.992 13.082 -8.972 1.00 0.00 C ATOM 866 C SER A 59 -2.880 12.735 -9.958 1.00 0.00 C ATOM 867 O SER A 59 -2.074 13.596 -10.329 1.00 0.00 O ATOM 868 CB SER A 59 -5.081 13.912 -9.653 1.00 0.00 C ATOM 869 OG SER A 59 -4.620 15.216 -9.956 1.00 0.00 O ATOM 0 H SER A 59 -3.659 14.796 -7.812 1.00 0.00 H new ATOM 0 HA SER A 59 -4.434 12.148 -8.624 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.401 13.415 -10.569 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.954 13.974 -9.003 1.00 0.00 H new ATOM 0 HG SER A 59 -3.670 15.180 -10.194 1.00 0.00 H new ATOM 875 N GLU A 60 -2.828 11.460 -10.344 1.00 0.00 N ATOM 876 CA GLU A 60 -1.842 10.959 -11.304 1.00 0.00 C ATOM 877 C GLU A 60 -0.433 11.019 -10.723 1.00 0.00 C ATOM 878 O GLU A 60 0.559 10.960 -11.453 1.00 0.00 O ATOM 879 CB GLU A 60 -1.920 11.734 -12.624 1.00 0.00 C ATOM 880 CG GLU A 60 -3.261 11.599 -13.325 1.00 0.00 C ATOM 881 CD GLU A 60 -3.331 12.396 -14.608 1.00 0.00 C ATOM 882 OE1 GLU A 60 -3.685 13.593 -14.553 1.00 0.00 O ATOM 883 OE2 GLU A 60 -3.043 11.829 -15.684 1.00 0.00 O ATOM 0 H GLU A 60 -3.468 10.744 -10.000 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.077 9.915 -11.510 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.725 12.789 -12.430 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.133 11.382 -13.291 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.448 10.548 -13.544 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.053 11.930 -12.653 1.00 0.00 H new ATOM 890 N ASN A 61 -0.352 11.127 -9.406 1.00 0.00 N ATOM 891 CA ASN A 61 0.922 11.109 -8.709 1.00 0.00 C ATOM 892 C ASN A 61 1.029 9.817 -7.916 1.00 0.00 C ATOM 893 O ASN A 61 0.018 9.282 -7.465 1.00 0.00 O ATOM 894 CB ASN A 61 1.050 12.320 -7.778 1.00 0.00 C ATOM 895 CG ASN A 61 2.423 12.418 -7.137 1.00 0.00 C ATOM 896 OD1 ASN A 61 3.420 11.983 -7.710 1.00 0.00 O ATOM 897 ND2 ASN A 61 2.488 12.999 -5.951 1.00 0.00 N ATOM 0 H ASN A 61 -1.162 11.229 -8.795 1.00 0.00 H new ATOM 0 HA ASN A 61 1.732 11.162 -9.436 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.850 13.231 -8.342 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.292 12.256 -6.997 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.387 13.098 -5.480 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.639 13.348 -5.507 1.00 0.00 H new ATOM 904 N SER A 62 2.234 9.307 -7.751 1.00 0.00 N ATOM 905 CA SER A 62 2.413 8.028 -7.091 1.00 0.00 C ATOM 906 C SER A 62 3.230 8.182 -5.812 1.00 0.00 C ATOM 907 O SER A 62 4.018 9.119 -5.672 1.00 0.00 O ATOM 908 CB SER A 62 3.099 7.052 -8.041 1.00 0.00 C ATOM 909 OG SER A 62 2.864 7.410 -9.396 1.00 0.00 O ATOM 0 H SER A 62 3.097 9.754 -8.062 1.00 0.00 H new ATOM 0 HA SER A 62 1.432 7.638 -6.818 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.171 7.041 -7.845 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.731 6.042 -7.859 1.00 0.00 H new ATOM 0 HG SER A 62 1.913 7.610 -9.521 1.00 0.00 H new ATOM 915 N THR A 63 3.023 7.270 -4.877 1.00 0.00 N ATOM 916 CA THR A 63 3.775 7.262 -3.634 1.00 0.00 C ATOM 917 C THR A 63 4.343 5.874 -3.356 1.00 0.00 C ATOM 918 O THR A 63 3.650 4.865 -3.522 1.00 0.00 O ATOM 919 CB THR A 63 2.895 7.707 -2.445 1.00 0.00 C ATOM 920 OG1 THR A 63 2.449 9.052 -2.652 1.00 0.00 O ATOM 921 CG2 THR A 63 3.655 7.623 -1.128 1.00 0.00 C ATOM 0 H THR A 63 2.335 6.521 -4.957 1.00 0.00 H new ATOM 0 HA THR A 63 4.596 7.970 -3.745 1.00 0.00 H new ATOM 0 HB THR A 63 2.040 7.034 -2.389 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.890 9.331 -1.897 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.006 7.943 -0.313 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.973 6.595 -0.956 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.530 8.271 -1.171 1.00 0.00 H new ATOM 929 N ASN A 64 5.606 5.830 -2.955 1.00 0.00 N ATOM 930 CA ASN A 64 6.253 4.583 -2.582 1.00 0.00 C ATOM 931 C ASN A 64 6.203 4.390 -1.076 1.00 0.00 C ATOM 932 O ASN A 64 6.652 5.242 -0.310 1.00 0.00 O ATOM 933 CB ASN A 64 7.703 4.557 -3.065 1.00 0.00 C ATOM 934 CG ASN A 64 7.860 3.874 -4.412 1.00 0.00 C ATOM 935 OD1 ASN A 64 6.941 3.861 -5.233 1.00 0.00 O ATOM 936 ND2 ASN A 64 9.027 3.294 -4.643 1.00 0.00 N ATOM 0 H ASN A 64 6.206 6.652 -2.880 1.00 0.00 H new ATOM 0 HA ASN A 64 5.714 3.766 -3.061 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.077 5.579 -3.135 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.318 4.042 -2.327 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.191 2.813 -5.527 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.762 3.328 -3.937 1.00 0.00 H new ATOM 943 N VAL A 65 5.630 3.276 -0.663 1.00 0.00 N ATOM 944 CA VAL A 65 5.523 2.934 0.745 1.00 0.00 C ATOM 945 C VAL A 65 6.529 1.843 1.087 1.00 0.00 C ATOM 946 O VAL A 65 6.492 0.764 0.502 1.00 0.00 O ATOM 947 CB VAL A 65 4.104 2.429 1.086 1.00 0.00 C ATOM 948 CG1 VAL A 65 3.925 2.296 2.589 1.00 0.00 C ATOM 949 CG2 VAL A 65 3.045 3.346 0.489 1.00 0.00 C ATOM 0 H VAL A 65 5.226 2.582 -1.292 1.00 0.00 H new ATOM 0 HA VAL A 65 5.728 3.832 1.327 1.00 0.00 H new ATOM 0 HB VAL A 65 3.980 1.440 0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.918 1.939 2.805 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.654 1.586 2.981 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.075 3.267 3.061 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.054 2.970 0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.166 4.352 0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.157 3.373 -0.595 1.00 0.00 H new ATOM 959 N ASP A 66 7.427 2.126 2.018 1.00 0.00 N ATOM 960 CA ASP A 66 8.442 1.156 2.409 1.00 0.00 C ATOM 961 C ASP A 66 8.159 0.630 3.809 1.00 0.00 C ATOM 962 O ASP A 66 8.264 1.359 4.796 1.00 0.00 O ATOM 963 CB ASP A 66 9.847 1.769 2.338 1.00 0.00 C ATOM 964 CG ASP A 66 10.309 2.017 0.911 1.00 0.00 C ATOM 965 OD1 ASP A 66 10.727 1.049 0.239 1.00 0.00 O ATOM 966 OD2 ASP A 66 10.269 3.182 0.455 1.00 0.00 O ATOM 0 H ASP A 66 7.475 3.015 2.516 1.00 0.00 H new ATOM 0 HA ASP A 66 8.404 0.322 1.708 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.856 2.711 2.887 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.554 1.104 2.834 1.00 0.00 H new ATOM 971 N PHE A 67 7.787 -0.639 3.888 1.00 0.00 N ATOM 972 CA PHE A 67 7.425 -1.256 5.157 1.00 0.00 C ATOM 973 C PHE A 67 8.632 -1.910 5.822 1.00 0.00 C ATOM 974 O PHE A 67 9.616 -2.258 5.162 1.00 0.00 O ATOM 975 CB PHE A 67 6.344 -2.319 4.956 1.00 0.00 C ATOM 976 CG PHE A 67 5.078 -1.810 4.335 1.00 0.00 C ATOM 977 CD1 PHE A 67 4.200 -1.020 5.059 1.00 0.00 C ATOM 978 CD2 PHE A 67 4.753 -2.146 3.031 1.00 0.00 C ATOM 979 CE1 PHE A 67 3.024 -0.574 4.493 1.00 0.00 C ATOM 980 CE2 PHE A 67 3.580 -1.699 2.458 1.00 0.00 C ATOM 981 CZ PHE A 67 2.714 -0.915 3.191 1.00 0.00 C ATOM 0 H PHE A 67 7.728 -1.265 3.085 1.00 0.00 H new ATOM 0 HA PHE A 67 7.047 -0.461 5.800 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.747 -3.114 4.329 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.106 -2.764 5.922 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.439 -0.751 6.077 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.426 -2.765 2.456 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.347 0.041 5.067 1.00 0.00 H new ATOM 0 HE2 PHE A 67 3.341 -1.962 1.438 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.793 -0.568 2.747 1.00 0.00 H new ATOM 991 N HIS A 68 8.538 -2.084 7.131 1.00 0.00 N ATOM 992 CA HIS A 68 9.567 -2.772 7.901 1.00 0.00 C ATOM 993 C HIS A 68 9.038 -4.123 8.353 1.00 0.00 C ATOM 994 O HIS A 68 8.282 -4.209 9.319 1.00 0.00 O ATOM 995 CB HIS A 68 9.986 -1.947 9.126 1.00 0.00 C ATOM 996 CG HIS A 68 10.363 -0.528 8.818 1.00 0.00 C ATOM 997 ND1 HIS A 68 11.643 -0.139 8.493 1.00 0.00 N ATOM 998 CD2 HIS A 68 9.614 0.599 8.800 1.00 0.00 C ATOM 999 CE1 HIS A 68 11.664 1.165 8.288 1.00 0.00 C ATOM 1000 NE2 HIS A 68 10.447 1.640 8.469 1.00 0.00 N ATOM 0 H HIS A 68 7.750 -1.755 7.689 1.00 0.00 H new ATOM 0 HA HIS A 68 10.442 -2.907 7.265 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.167 -1.945 9.845 1.00 0.00 H new ATOM 0 HB3 HIS A 68 10.831 -2.438 9.608 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.556 0.667 9.008 1.00 0.00 H new ATOM 0 HE1 HIS A 68 12.533 1.746 8.017 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.170 2.618 8.378 1.00 0.00 H new ATOM 1009 N TRP A 69 9.418 -5.174 7.645 1.00 0.00 N ATOM 1010 CA TRP A 69 8.904 -6.501 7.934 1.00 0.00 C ATOM 1011 C TRP A 69 10.025 -7.435 8.374 1.00 0.00 C ATOM 1012 O TRP A 69 10.865 -7.838 7.574 1.00 0.00 O ATOM 1013 CB TRP A 69 8.177 -7.065 6.705 1.00 0.00 C ATOM 1014 CG TRP A 69 7.708 -8.482 6.877 1.00 0.00 C ATOM 1015 CD1 TRP A 69 7.478 -9.131 8.055 1.00 0.00 C ATOM 1016 CD2 TRP A 69 7.410 -9.422 5.837 1.00 0.00 C ATOM 1017 NE1 TRP A 69 7.077 -10.422 7.814 1.00 0.00 N ATOM 1018 CE2 TRP A 69 7.021 -10.622 6.461 1.00 0.00 C ATOM 1019 CE3 TRP A 69 7.438 -9.369 4.439 1.00 0.00 C ATOM 1020 CZ2 TRP A 69 6.666 -11.756 5.737 1.00 0.00 C ATOM 1021 CZ3 TRP A 69 7.082 -10.496 3.724 1.00 0.00 C ATOM 1022 CH2 TRP A 69 6.703 -11.674 4.374 1.00 0.00 C ATOM 0 H TRP A 69 10.078 -5.134 6.869 1.00 0.00 H new ATOM 0 HA TRP A 69 8.192 -6.424 8.756 1.00 0.00 H new ATOM 0 HB2 TRP A 69 7.318 -6.432 6.480 1.00 0.00 H new ATOM 0 HB3 TRP A 69 8.844 -7.015 5.845 1.00 0.00 H new ATOM 0 HD1 TRP A 69 7.594 -8.693 9.035 1.00 0.00 H new ATOM 0 HE1 TRP A 69 6.857 -11.118 8.526 1.00 0.00 H new ATOM 0 HE3 TRP A 69 7.732 -8.464 3.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.372 -12.668 6.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 7.097 -10.466 2.645 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.433 -12.539 3.786 1.00 0.00 H new ATOM 1033 N THR A 70 10.035 -7.766 9.651 1.00 0.00 N ATOM 1034 CA THR A 70 10.978 -8.735 10.175 1.00 0.00 C ATOM 1035 C THR A 70 10.464 -10.146 9.909 1.00 0.00 C ATOM 1036 O THR A 70 9.426 -10.542 10.439 1.00 0.00 O ATOM 1037 CB THR A 70 11.184 -8.536 11.687 1.00 0.00 C ATOM 1038 OG1 THR A 70 11.392 -7.145 11.965 1.00 0.00 O ATOM 1039 CG2 THR A 70 12.378 -9.341 12.181 1.00 0.00 C ATOM 0 H THR A 70 9.399 -7.377 10.347 1.00 0.00 H new ATOM 0 HA THR A 70 11.935 -8.592 9.674 1.00 0.00 H new ATOM 0 HB THR A 70 10.292 -8.886 12.207 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.521 -7.020 12.928 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.504 -9.185 13.252 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.208 -10.400 11.986 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.278 -9.016 11.658 1.00 0.00 H new ATOM 1047 N LEU A 71 11.172 -10.893 9.069 1.00 0.00 N ATOM 1048 CA LEU A 71 10.736 -12.233 8.707 1.00 0.00 C ATOM 1049 C LEU A 71 10.938 -13.191 9.872 1.00 0.00 C ATOM 1050 O LEU A 71 12.046 -13.313 10.403 1.00 0.00 O ATOM 1051 CB LEU A 71 11.501 -12.750 7.486 1.00 0.00 C ATOM 1052 CG LEU A 71 10.633 -13.298 6.345 1.00 0.00 C ATOM 1053 CD1 LEU A 71 9.565 -14.242 6.869 1.00 0.00 C ATOM 1054 CD2 LEU A 71 10.012 -12.161 5.559 1.00 0.00 C ATOM 0 H LEU A 71 12.043 -10.595 8.630 1.00 0.00 H new ATOM 0 HA LEU A 71 9.676 -12.180 8.460 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.116 -11.939 7.094 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.181 -13.537 7.812 1.00 0.00 H new ATOM 0 HG LEU A 71 11.276 -13.869 5.675 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.967 -14.613 6.037 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.039 -15.081 7.378 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.921 -13.710 7.569 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.400 -12.567 4.754 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.389 -11.559 6.220 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.800 -11.538 5.137 1.00 0.00 H new ATOM 1066 N ASP A 72 9.866 -13.860 10.269 1.00 0.00 N ATOM 1067 CA ASP A 72 9.930 -14.849 11.331 1.00 0.00 C ATOM 1068 C ASP A 72 10.370 -16.192 10.759 1.00 0.00 C ATOM 1069 O ASP A 72 11.112 -16.940 11.397 1.00 0.00 O ATOM 1070 CB ASP A 72 8.570 -14.977 12.027 1.00 0.00 C ATOM 1071 CG ASP A 72 7.513 -15.610 11.144 1.00 0.00 C ATOM 1072 OD1 ASP A 72 7.318 -15.136 10.005 1.00 0.00 O ATOM 1073 OD2 ASP A 72 6.893 -16.600 11.578 1.00 0.00 O ATOM 0 H ASP A 72 8.937 -13.734 9.868 1.00 0.00 H new ATOM 0 HA ASP A 72 10.661 -14.527 12.073 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.685 -15.574 12.932 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.232 -13.988 12.338 1.00 0.00 H new ATOM 1078 N GLY A 73 9.912 -16.488 9.547 1.00 0.00 N ATOM 1079 CA GLY A 73 10.354 -17.679 8.850 1.00 0.00 C ATOM 1080 C GLY A 73 9.550 -18.909 9.216 1.00 0.00 C ATOM 1081 O GLY A 73 10.105 -19.899 9.696 1.00 0.00 O ATOM 0 H GLY A 73 9.238 -15.920 9.034 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.284 -17.512 7.775 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.405 -17.858 9.077 1.00 0.00 H new ATOM 1085 N THR A 74 8.248 -18.851 8.994 1.00 0.00 N ATOM 1086 CA THR A 74 7.380 -19.983 9.274 1.00 0.00 C ATOM 1087 C THR A 74 6.812 -20.586 7.994 1.00 0.00 C ATOM 1088 O THR A 74 6.585 -21.794 7.914 1.00 0.00 O ATOM 1089 CB THR A 74 6.224 -19.579 10.207 1.00 0.00 C ATOM 1090 OG1 THR A 74 5.789 -18.247 9.897 1.00 0.00 O ATOM 1091 CG2 THR A 74 6.649 -19.664 11.664 1.00 0.00 C ATOM 0 H THR A 74 7.768 -18.032 8.621 1.00 0.00 H new ATOM 0 HA THR A 74 7.993 -20.735 9.770 1.00 0.00 H new ATOM 0 HB THR A 74 5.397 -20.272 10.052 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.159 -17.621 10.554 1.00 0.00 H new ATOM 0 HG21 THR A 74 5.815 -19.374 12.304 1.00 0.00 H new ATOM 0 HG22 THR A 74 6.947 -20.686 11.897 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.490 -18.993 11.837 1.00 0.00 H new ATOM 1099 N ALA A 75 6.592 -19.751 6.991 1.00 0.00 N ATOM 1100 CA ALA A 75 6.005 -20.210 5.744 1.00 0.00 C ATOM 1101 C ALA A 75 6.898 -19.868 4.560 1.00 0.00 C ATOM 1102 O ALA A 75 7.828 -19.072 4.682 1.00 0.00 O ATOM 1103 CB ALA A 75 4.621 -19.606 5.559 1.00 0.00 C ATOM 0 H ALA A 75 6.811 -18.755 7.016 1.00 0.00 H new ATOM 0 HA ALA A 75 5.911 -21.295 5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.193 -19.958 4.621 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.979 -19.907 6.387 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.698 -18.519 5.537 1.00 0.00 H new ATOM 1109 N ASN A 76 6.612 -20.475 3.416 1.00 0.00 N ATOM 1110 CA ASN A 76 7.353 -20.191 2.193 1.00 0.00 C ATOM 1111 C ASN A 76 6.554 -19.263 1.296 1.00 0.00 C ATOM 1112 O ASN A 76 7.027 -18.835 0.243 1.00 0.00 O ATOM 1113 CB ASN A 76 7.691 -21.477 1.434 1.00 0.00 C ATOM 1114 CG ASN A 76 8.786 -22.279 2.106 1.00 0.00 C ATOM 1115 OD1 ASN A 76 9.971 -22.036 1.881 1.00 0.00 O ATOM 1116 ND2 ASN A 76 8.402 -23.247 2.920 1.00 0.00 N ATOM 0 H ASN A 76 5.871 -21.168 3.309 1.00 0.00 H new ATOM 0 HA ASN A 76 8.287 -19.705 2.477 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.795 -22.092 1.351 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.000 -21.225 0.420 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.099 -23.826 3.389 1.00 0.00 H new ATOM 0 HD22 ASN A 76 7.409 -23.415 3.079 1.00 0.00 H new ATOM 1123 N SER A 77 5.334 -18.973 1.710 1.00 0.00 N ATOM 1124 CA SER A 77 4.462 -18.080 0.971 1.00 0.00 C ATOM 1125 C SER A 77 3.606 -17.274 1.940 1.00 0.00 C ATOM 1126 O SER A 77 2.781 -17.830 2.664 1.00 0.00 O ATOM 1127 CB SER A 77 3.579 -18.881 0.013 1.00 0.00 C ATOM 1128 OG SER A 77 4.369 -19.702 -0.832 1.00 0.00 O ATOM 0 H SER A 77 4.922 -19.348 2.564 1.00 0.00 H new ATOM 0 HA SER A 77 5.070 -17.391 0.385 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.884 -19.499 0.582 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.979 -18.200 -0.591 1.00 0.00 H new ATOM 0 HG SER A 77 3.785 -20.207 -1.436 1.00 0.00 H new ATOM 1134 N TYR A 78 3.826 -15.973 1.968 1.00 0.00 N ATOM 1135 CA TYR A 78 3.074 -15.089 2.843 1.00 0.00 C ATOM 1136 C TYR A 78 2.066 -14.283 2.034 1.00 0.00 C ATOM 1137 O TYR A 78 2.370 -13.819 0.932 1.00 0.00 O ATOM 1138 CB TYR A 78 4.019 -14.144 3.591 1.00 0.00 C ATOM 1139 CG TYR A 78 4.838 -14.810 4.679 1.00 0.00 C ATOM 1140 CD1 TYR A 78 5.852 -15.709 4.375 1.00 0.00 C ATOM 1141 CD2 TYR A 78 4.592 -14.530 6.015 1.00 0.00 C ATOM 1142 CE1 TYR A 78 6.598 -16.305 5.373 1.00 0.00 C ATOM 1143 CE2 TYR A 78 5.336 -15.118 7.019 1.00 0.00 C ATOM 1144 CZ TYR A 78 6.339 -16.006 6.692 1.00 0.00 C ATOM 1145 OH TYR A 78 7.084 -16.600 7.689 1.00 0.00 O ATOM 0 H TYR A 78 4.523 -15.501 1.392 1.00 0.00 H new ATOM 0 HA TYR A 78 2.539 -15.698 3.572 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.697 -13.684 2.872 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.432 -13.340 4.035 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.060 -15.946 3.342 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.804 -13.839 6.275 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.382 -17.003 5.120 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.134 -14.884 8.054 1.00 0.00 H new ATOM 0 HH TYR A 78 7.087 -16.024 8.482 1.00 0.00 H new ATOM 1155 N THR A 79 0.869 -14.129 2.577 1.00 0.00 N ATOM 1156 CA THR A 79 -0.190 -13.418 1.885 1.00 0.00 C ATOM 1157 C THR A 79 -0.160 -11.935 2.241 1.00 0.00 C ATOM 1158 O THR A 79 -0.808 -11.501 3.194 1.00 0.00 O ATOM 1159 CB THR A 79 -1.572 -14.006 2.236 1.00 0.00 C ATOM 1160 OG1 THR A 79 -1.526 -15.436 2.149 1.00 0.00 O ATOM 1161 CG2 THR A 79 -2.646 -13.478 1.297 1.00 0.00 C ATOM 0 H THR A 79 0.608 -14.488 3.495 1.00 0.00 H new ATOM 0 HA THR A 79 -0.023 -13.533 0.814 1.00 0.00 H new ATOM 0 HB THR A 79 -1.821 -13.704 3.253 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.903 -15.826 2.965 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.610 -13.909 1.568 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.698 -12.392 1.378 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.400 -13.754 0.271 1.00 0.00 H new ATOM 1169 N LEU A 80 0.613 -11.167 1.488 1.00 0.00 N ATOM 1170 CA LEU A 80 0.769 -9.750 1.765 1.00 0.00 C ATOM 1171 C LEU A 80 -0.291 -8.931 1.047 1.00 0.00 C ATOM 1172 O LEU A 80 -0.459 -9.026 -0.166 1.00 0.00 O ATOM 1173 CB LEU A 80 2.168 -9.270 1.380 1.00 0.00 C ATOM 1174 CG LEU A 80 3.191 -9.276 2.521 1.00 0.00 C ATOM 1175 CD1 LEU A 80 3.351 -10.671 3.111 1.00 0.00 C ATOM 1176 CD2 LEU A 80 4.527 -8.749 2.029 1.00 0.00 C ATOM 0 H LEU A 80 1.141 -11.502 0.682 1.00 0.00 H new ATOM 0 HA LEU A 80 0.639 -9.606 2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.543 -9.900 0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.092 -8.257 0.985 1.00 0.00 H new ATOM 0 HG LEU A 80 2.823 -8.621 3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.083 -10.643 3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.393 -11.013 3.502 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.692 -11.357 2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.246 -8.758 2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.892 -9.381 1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.404 -7.729 1.665 1.00 0.00 H new ATOM 1188 N THR A 81 -1.016 -8.142 1.815 1.00 0.00 N ATOM 1189 CA THR A 81 -2.061 -7.301 1.274 1.00 0.00 C ATOM 1190 C THR A 81 -1.820 -5.846 1.637 1.00 0.00 C ATOM 1191 O THR A 81 -1.671 -5.505 2.810 1.00 0.00 O ATOM 1192 CB THR A 81 -3.443 -7.738 1.798 1.00 0.00 C ATOM 1193 OG1 THR A 81 -3.671 -9.116 1.474 1.00 0.00 O ATOM 1194 CG2 THR A 81 -4.553 -6.880 1.205 1.00 0.00 C ATOM 0 H THR A 81 -0.897 -8.067 2.825 1.00 0.00 H new ATOM 0 HA THR A 81 -2.043 -7.407 0.189 1.00 0.00 H new ATOM 0 HB THR A 81 -3.453 -7.609 2.880 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.246 -9.175 0.683 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.516 -7.212 1.593 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.392 -5.837 1.478 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.547 -6.976 0.119 1.00 0.00 H new ATOM 1202 N VAL A 82 -1.765 -4.995 0.628 1.00 0.00 N ATOM 1203 CA VAL A 82 -1.652 -3.568 0.853 1.00 0.00 C ATOM 1204 C VAL A 82 -3.042 -2.965 0.939 1.00 0.00 C ATOM 1205 O VAL A 82 -3.699 -2.753 -0.081 1.00 0.00 O ATOM 1206 CB VAL A 82 -0.844 -2.863 -0.262 1.00 0.00 C ATOM 1207 CG1 VAL A 82 -0.744 -1.368 0.008 1.00 0.00 C ATOM 1208 CG2 VAL A 82 0.546 -3.474 -0.387 1.00 0.00 C ATOM 0 H VAL A 82 -1.797 -5.269 -0.354 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.113 -3.418 1.789 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.371 -3.008 -1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.172 -0.892 -0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.745 -0.937 0.043 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.244 -1.203 0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.098 -2.964 -1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.078 -3.363 0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.458 -4.532 -0.632 1.00 0.00 H new ATOM 1218 N ASN A 83 -3.515 -2.744 2.158 1.00 0.00 N ATOM 1219 CA ASN A 83 -4.824 -2.141 2.345 1.00 0.00 C ATOM 1220 C ASN A 83 -4.673 -0.640 2.493 1.00 0.00 C ATOM 1221 O ASN A 83 -4.069 -0.156 3.454 1.00 0.00 O ATOM 1222 CB ASN A 83 -5.544 -2.715 3.566 1.00 0.00 C ATOM 1223 CG ASN A 83 -7.014 -2.326 3.599 1.00 0.00 C ATOM 1224 OD1 ASN A 83 -7.870 -3.057 3.102 1.00 0.00 O ATOM 1225 ND2 ASN A 83 -7.315 -1.173 4.176 1.00 0.00 N ATOM 0 H ASN A 83 -3.019 -2.970 3.020 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.429 -2.370 1.468 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.457 -3.802 3.560 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.055 -2.361 4.474 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.286 -0.863 4.220 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.576 -0.595 4.577 1.00 0.00 H new ATOM 1232 N VAL A 84 -5.207 0.089 1.534 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.108 1.535 1.539 1.00 0.00 C ATOM 1234 C VAL A 84 -6.143 2.141 2.478 1.00 0.00 C ATOM 1235 O VAL A 84 -7.341 2.097 2.219 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.246 2.111 0.116 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -5.361 3.628 0.153 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -4.052 1.688 -0.729 1.00 0.00 C ATOM 0 H VAL A 84 -5.716 -0.297 0.739 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.117 1.803 1.906 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.158 1.716 -0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.457 4.010 -0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -6.239 3.912 0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.469 4.049 0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.154 2.098 -1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.134 2.063 -0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.012 0.600 -0.783 1.00 0.00 H new ATOM 1248 N ASP A 85 -5.630 2.656 3.589 1.00 0.00 N ATOM 1249 CA ASP A 85 -6.409 3.282 4.659 1.00 0.00 C ATOM 1250 C ASP A 85 -7.600 2.432 5.088 1.00 0.00 C ATOM 1251 O ASP A 85 -8.692 2.532 4.530 1.00 0.00 O ATOM 1252 CB ASP A 85 -6.860 4.692 4.284 1.00 0.00 C ATOM 1253 CG ASP A 85 -7.214 5.502 5.516 1.00 0.00 C ATOM 1254 OD1 ASP A 85 -6.284 5.895 6.257 1.00 0.00 O ATOM 1255 OD2 ASP A 85 -8.411 5.729 5.759 1.00 0.00 O ATOM 0 H ASP A 85 -4.628 2.651 3.779 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.739 3.358 5.515 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.067 5.195 3.731 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.724 4.636 3.622 1.00 0.00 H new ATOM 1260 N PRO A 86 -7.395 1.580 6.106 1.00 0.00 N ATOM 1261 CA PRO A 86 -8.436 0.687 6.633 1.00 0.00 C ATOM 1262 C PRO A 86 -9.596 1.453 7.266 1.00 0.00 C ATOM 1263 O PRO A 86 -10.624 0.870 7.622 1.00 0.00 O ATOM 1264 CB PRO A 86 -7.703 -0.145 7.697 1.00 0.00 C ATOM 1265 CG PRO A 86 -6.250 0.048 7.421 1.00 0.00 C ATOM 1266 CD PRO A 86 -6.122 1.417 6.820 1.00 0.00 C ATOM 0 HA PRO A 86 -8.886 0.087 5.842 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.959 0.189 8.702 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -7.979 -1.197 7.631 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -5.665 -0.032 8.337 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -5.878 -0.715 6.737 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -5.986 2.183 7.584 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.268 1.484 6.145 1.00 0.00 H new ATOM 1274 N GLU A 87 -9.423 2.757 7.400 1.00 0.00 N ATOM 1275 CA GLU A 87 -10.440 3.615 7.980 1.00 0.00 C ATOM 1276 C GLU A 87 -11.312 4.221 6.884 1.00 0.00 C ATOM 1277 O GLU A 87 -12.469 4.568 7.123 1.00 0.00 O ATOM 1278 CB GLU A 87 -9.776 4.728 8.792 1.00 0.00 C ATOM 1279 CG GLU A 87 -8.828 4.219 9.866 1.00 0.00 C ATOM 1280 CD GLU A 87 -9.539 3.448 10.958 1.00 0.00 C ATOM 1281 OE1 GLU A 87 -9.722 2.221 10.810 1.00 0.00 O ATOM 1282 OE2 GLU A 87 -9.917 4.069 11.976 1.00 0.00 O ATOM 0 H GLU A 87 -8.577 3.248 7.111 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.071 3.017 8.637 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.226 5.381 8.115 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.550 5.335 9.261 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.075 3.578 9.406 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.300 5.064 10.309 1.00 0.00 H new ATOM 1289 N ASN A 88 -10.743 4.319 5.683 1.00 0.00 N ATOM 1290 CA ASN A 88 -11.376 4.996 4.553 1.00 0.00 C ATOM 1291 C ASN A 88 -11.673 6.445 4.894 1.00 0.00 C ATOM 1292 O ASN A 88 -12.777 6.942 4.660 1.00 0.00 O ATOM 1293 CB ASN A 88 -12.651 4.283 4.090 1.00 0.00 C ATOM 1294 CG ASN A 88 -12.360 3.006 3.328 1.00 0.00 C ATOM 1295 OD1 ASN A 88 -12.385 1.912 3.893 1.00 0.00 O ATOM 1296 ND2 ASN A 88 -12.070 3.143 2.043 1.00 0.00 N ATOM 0 H ASN A 88 -9.826 3.929 5.466 1.00 0.00 H new ATOM 0 HA ASN A 88 -10.668 4.965 3.725 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.269 4.051 4.958 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.230 4.956 3.457 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.855 2.321 1.478 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -12.062 4.070 1.618 1.00 0.00 H new ATOM 1303 N ALA A 89 -10.670 7.122 5.443 1.00 0.00 N ATOM 1304 CA ALA A 89 -10.778 8.538 5.761 1.00 0.00 C ATOM 1305 C ALA A 89 -10.958 9.347 4.483 1.00 0.00 C ATOM 1306 O ALA A 89 -11.522 10.445 4.495 1.00 0.00 O ATOM 1307 CB ALA A 89 -9.549 9.009 6.524 1.00 0.00 C ATOM 0 H ALA A 89 -9.768 6.708 5.678 1.00 0.00 H new ATOM 0 HA ALA A 89 -11.651 8.689 6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.648 10.070 6.753 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.458 8.444 7.452 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.659 8.851 5.914 1.00 0.00 H new ATOM 1313 N VAL A 90 -10.472 8.790 3.381 1.00 0.00 N ATOM 1314 CA VAL A 90 -10.647 9.387 2.070 1.00 0.00 C ATOM 1315 C VAL A 90 -11.761 8.660 1.322 1.00 0.00 C ATOM 1316 O VAL A 90 -11.743 7.435 1.209 1.00 0.00 O ATOM 1317 CB VAL A 90 -9.344 9.324 1.237 1.00 0.00 C ATOM 1318 CG1 VAL A 90 -9.482 10.139 -0.042 1.00 0.00 C ATOM 1319 CG2 VAL A 90 -8.151 9.800 2.059 1.00 0.00 C ATOM 0 H VAL A 90 -9.948 7.915 3.374 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.910 10.435 2.211 1.00 0.00 H new ATOM 0 HB VAL A 90 -9.168 8.285 0.959 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.555 10.081 -0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.302 9.741 -0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.688 11.179 0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -7.247 9.747 1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.315 10.830 2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.037 9.164 2.937 1.00 0.00 H new ATOM 1329 N ASN A 91 -12.750 9.408 0.852 1.00 0.00 N ATOM 1330 CA ASN A 91 -13.836 8.829 0.063 1.00 0.00 C ATOM 1331 C ASN A 91 -13.332 8.515 -1.339 1.00 0.00 C ATOM 1332 O ASN A 91 -12.935 9.417 -2.078 1.00 0.00 O ATOM 1333 CB ASN A 91 -15.031 9.785 0.008 1.00 0.00 C ATOM 1334 CG ASN A 91 -16.225 9.201 -0.731 1.00 0.00 C ATOM 1335 OD1 ASN A 91 -16.391 9.407 -1.933 1.00 0.00 O ATOM 1336 ND2 ASN A 91 -17.069 8.472 -0.015 1.00 0.00 N ATOM 0 H ASN A 91 -12.825 10.414 1.001 1.00 0.00 H new ATOM 0 HA ASN A 91 -14.169 7.905 0.536 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -15.330 10.043 1.024 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -14.726 10.711 -0.479 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -17.890 8.060 -0.458 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -16.898 8.323 0.979 1.00 0.00 H new ATOM 1343 N GLU A 92 -13.331 7.238 -1.693 1.00 0.00 N ATOM 1344 CA GLU A 92 -12.710 6.799 -2.931 1.00 0.00 C ATOM 1345 C GLU A 92 -13.702 6.155 -3.889 1.00 0.00 C ATOM 1346 O GLU A 92 -14.849 5.873 -3.533 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.588 5.814 -2.633 1.00 0.00 C ATOM 1348 CG GLU A 92 -10.483 6.388 -1.769 1.00 0.00 C ATOM 1349 CD GLU A 92 -9.410 5.370 -1.476 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -8.641 5.051 -2.402 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -9.337 4.889 -0.326 1.00 0.00 O ATOM 0 H GLU A 92 -13.752 6.491 -1.141 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.313 7.690 -3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.008 4.939 -2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.159 5.471 -3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.040 7.248 -2.271 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.906 6.749 -0.832 1.00 0.00 H new ATOM 1358 N GLY A 93 -13.225 5.966 -5.113 1.00 0.00 N ATOM 1359 CA GLY A 93 -13.993 5.351 -6.181 1.00 0.00 C ATOM 1360 C GLY A 93 -14.499 3.948 -5.876 1.00 0.00 C ATOM 1361 O GLY A 93 -15.506 3.769 -5.193 1.00 0.00 O ATOM 0 H GLY A 93 -12.283 6.240 -5.392 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.847 5.989 -6.409 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.375 5.312 -7.078 1.00 0.00 H new ATOM 1365 N ASN A 94 -13.799 2.954 -6.416 1.00 0.00 N ATOM 1366 CA ASN A 94 -14.312 1.584 -6.473 1.00 0.00 C ATOM 1367 C ASN A 94 -14.030 0.788 -5.192 1.00 0.00 C ATOM 1368 O ASN A 94 -13.731 1.359 -4.147 1.00 0.00 O ATOM 1369 CB ASN A 94 -13.739 0.861 -7.702 1.00 0.00 C ATOM 1370 CG ASN A 94 -12.270 0.499 -7.582 1.00 0.00 C ATOM 1371 OD1 ASN A 94 -11.927 -0.604 -7.164 1.00 0.00 O ATOM 1372 ND2 ASN A 94 -11.395 1.414 -7.957 1.00 0.00 N ATOM 0 H ASN A 94 -12.871 3.070 -6.823 1.00 0.00 H new ATOM 0 HA ASN A 94 -15.397 1.648 -6.562 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -14.313 -0.049 -7.874 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -13.875 1.494 -8.578 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -10.396 1.216 -7.905 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -11.718 2.319 -8.299 1.00 0.00 H new ATOM 1379 N GLU A 95 -14.161 -0.536 -5.287 1.00 0.00 N ATOM 1380 CA GLU A 95 -14.064 -1.421 -4.127 1.00 0.00 C ATOM 1381 C GLU A 95 -12.691 -2.098 -4.025 1.00 0.00 C ATOM 1382 O GLU A 95 -12.156 -2.278 -2.930 1.00 0.00 O ATOM 1383 CB GLU A 95 -15.141 -2.505 -4.223 1.00 0.00 C ATOM 1384 CG GLU A 95 -16.564 -1.973 -4.248 1.00 0.00 C ATOM 1385 CD GLU A 95 -16.991 -1.388 -2.918 1.00 0.00 C ATOM 1386 OE1 GLU A 95 -17.065 -2.151 -1.931 1.00 0.00 O ATOM 1387 OE2 GLU A 95 -17.254 -0.171 -2.856 1.00 0.00 O ATOM 0 H GLU A 95 -14.336 -1.023 -6.166 1.00 0.00 H new ATOM 0 HA GLU A 95 -14.205 -0.808 -3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -14.969 -3.092 -5.125 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -15.034 -3.183 -3.376 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -16.649 -1.209 -5.021 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -17.245 -2.779 -4.521 1.00 0.00 H new ATOM 1394 N SER A 96 -12.126 -2.472 -5.167 1.00 0.00 N ATOM 1395 CA SER A 96 -10.916 -3.291 -5.200 1.00 0.00 C ATOM 1396 C SER A 96 -9.653 -2.440 -5.080 1.00 0.00 C ATOM 1397 O SER A 96 -8.544 -2.966 -4.997 1.00 0.00 O ATOM 1398 CB SER A 96 -10.875 -4.096 -6.500 1.00 0.00 C ATOM 1399 OG SER A 96 -12.090 -4.803 -6.700 1.00 0.00 O ATOM 0 H SER A 96 -12.487 -2.221 -6.087 1.00 0.00 H new ATOM 0 HA SER A 96 -10.945 -3.966 -4.345 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.697 -3.426 -7.341 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.042 -4.798 -6.471 1.00 0.00 H new ATOM 0 HG SER A 96 -12.040 -5.309 -7.538 1.00 0.00 H new ATOM 1405 N ASN A 97 -9.831 -1.132 -5.059 1.00 0.00 N ATOM 1406 CA ASN A 97 -8.712 -0.197 -5.014 1.00 0.00 C ATOM 1407 C ASN A 97 -8.010 -0.228 -3.661 1.00 0.00 C ATOM 1408 O ASN A 97 -6.800 -0.077 -3.581 1.00 0.00 O ATOM 1409 CB ASN A 97 -9.194 1.225 -5.310 1.00 0.00 C ATOM 1410 CG ASN A 97 -10.244 1.709 -4.325 1.00 0.00 C ATOM 1411 OD1 ASN A 97 -11.010 0.918 -3.775 1.00 0.00 O ATOM 1412 ND2 ASN A 97 -10.286 3.005 -4.095 1.00 0.00 N ATOM 0 H ASN A 97 -10.748 -0.686 -5.072 1.00 0.00 H new ATOM 0 HA ASN A 97 -7.997 -0.505 -5.777 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -8.342 1.904 -5.288 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -9.605 1.262 -6.319 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.971 3.385 -3.441 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.634 3.629 -4.571 1.00 0.00 H new ATOM 1419 N ASN A 98 -8.768 -0.448 -2.599 1.00 0.00 N ATOM 1420 CA ASN A 98 -8.209 -0.403 -1.252 1.00 0.00 C ATOM 1421 C ASN A 98 -7.427 -1.665 -0.906 1.00 0.00 C ATOM 1422 O ASN A 98 -6.865 -1.760 0.180 1.00 0.00 O ATOM 1423 CB ASN A 98 -9.312 -0.183 -0.210 1.00 0.00 C ATOM 1424 CG ASN A 98 -9.822 1.248 -0.155 1.00 0.00 C ATOM 1425 OD1 ASN A 98 -11.008 1.476 0.084 1.00 0.00 O ATOM 1426 ND2 ASN A 98 -8.933 2.217 -0.324 1.00 0.00 N ATOM 0 H ASN A 98 -9.765 -0.658 -2.639 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.516 0.438 -1.232 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -10.146 -0.849 -0.431 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.932 -0.462 0.773 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -9.223 3.193 -0.257 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -7.959 1.987 -0.521 1.00 0.00 H new ATOM 1433 N THR A 99 -7.371 -2.630 -1.814 1.00 0.00 N ATOM 1434 CA THR A 99 -6.684 -3.882 -1.520 1.00 0.00 C ATOM 1435 C THR A 99 -5.798 -4.365 -2.662 1.00 0.00 C ATOM 1436 O THR A 99 -6.212 -4.411 -3.822 1.00 0.00 O ATOM 1437 CB THR A 99 -7.680 -4.999 -1.157 1.00 0.00 C ATOM 1438 OG1 THR A 99 -8.897 -4.846 -1.906 1.00 0.00 O ATOM 1439 CG2 THR A 99 -7.972 -4.999 0.334 1.00 0.00 C ATOM 0 H THR A 99 -7.785 -2.574 -2.745 1.00 0.00 H new ATOM 0 HA THR A 99 -6.043 -3.663 -0.666 1.00 0.00 H new ATOM 0 HB THR A 99 -7.228 -5.957 -1.415 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.521 -5.563 -1.667 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.678 -5.796 0.567 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.046 -5.161 0.886 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.402 -4.039 0.621 1.00 0.00 H new ATOM 1447 N LEU A 100 -4.567 -4.707 -2.314 1.00 0.00 N ATOM 1448 CA LEU A 100 -3.673 -5.420 -3.213 1.00 0.00 C ATOM 1449 C LEU A 100 -3.116 -6.643 -2.500 1.00 0.00 C ATOM 1450 O LEU A 100 -2.187 -6.532 -1.701 1.00 0.00 O ATOM 1451 CB LEU A 100 -2.513 -4.532 -3.676 1.00 0.00 C ATOM 1452 CG LEU A 100 -1.473 -5.232 -4.553 1.00 0.00 C ATOM 1453 CD1 LEU A 100 -2.032 -5.488 -5.942 1.00 0.00 C ATOM 1454 CD2 LEU A 100 -0.193 -4.415 -4.619 1.00 0.00 C ATOM 0 H LEU A 100 -4.160 -4.499 -1.402 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.243 -5.718 -4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.921 -3.685 -4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.012 -4.127 -2.797 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.233 -6.196 -4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.278 -5.986 -6.551 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.916 -6.122 -5.867 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.304 -4.540 -6.405 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.535 -4.929 -5.247 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.409 -3.434 -5.042 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.215 -4.295 -3.615 1.00 0.00 H new ATOM 1466 N THR A 101 -3.707 -7.793 -2.756 1.00 0.00 N ATOM 1467 CA THR A 101 -3.252 -9.032 -2.152 1.00 0.00 C ATOM 1468 C THR A 101 -2.307 -9.767 -3.091 1.00 0.00 C ATOM 1469 O THR A 101 -2.726 -10.327 -4.108 1.00 0.00 O ATOM 1470 CB THR A 101 -4.437 -9.944 -1.773 1.00 0.00 C ATOM 1471 OG1 THR A 101 -5.273 -9.279 -0.815 1.00 0.00 O ATOM 1472 CG2 THR A 101 -3.953 -11.264 -1.191 1.00 0.00 C ATOM 0 H THR A 101 -4.507 -7.897 -3.381 1.00 0.00 H new ATOM 0 HA THR A 101 -2.717 -8.776 -1.237 1.00 0.00 H new ATOM 0 HB THR A 101 -5.004 -10.155 -2.679 1.00 0.00 H new ATOM 0 HG1 THR A 101 -6.025 -9.861 -0.578 1.00 0.00 H new ATOM 0 HG21 THR A 101 -4.811 -11.885 -0.934 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.338 -11.782 -1.927 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.363 -11.072 -0.295 1.00 0.00 H new ATOM 1480 N ALA A 102 -1.033 -9.747 -2.747 1.00 0.00 N ATOM 1481 CA ALA A 102 -0.011 -10.388 -3.544 1.00 0.00 C ATOM 1482 C ALA A 102 0.722 -11.426 -2.710 1.00 0.00 C ATOM 1483 O ALA A 102 1.070 -11.176 -1.555 1.00 0.00 O ATOM 1484 CB ALA A 102 0.961 -9.350 -4.087 1.00 0.00 C ATOM 0 H ALA A 102 -0.681 -9.286 -1.908 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.482 -10.891 -4.389 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.726 -9.845 -4.685 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.421 -8.635 -4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.434 -8.825 -3.257 1.00 0.00 H new ATOM 1490 N LEU A 103 0.934 -12.597 -3.281 1.00 0.00 N ATOM 1491 CA LEU A 103 1.635 -13.651 -2.576 1.00 0.00 C ATOM 1492 C LEU A 103 3.132 -13.492 -2.731 1.00 0.00 C ATOM 1493 O LEU A 103 3.667 -13.509 -3.841 1.00 0.00 O ATOM 1494 CB LEU A 103 1.201 -15.025 -3.074 1.00 0.00 C ATOM 1495 CG LEU A 103 -0.230 -15.415 -2.714 1.00 0.00 C ATOM 1496 CD1 LEU A 103 -0.566 -16.775 -3.291 1.00 0.00 C ATOM 1497 CD2 LEU A 103 -0.421 -15.417 -1.204 1.00 0.00 C ATOM 0 H LEU A 103 0.633 -12.840 -4.225 1.00 0.00 H new ATOM 0 HA LEU A 103 1.380 -13.572 -1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.308 -15.053 -4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.880 -15.774 -2.667 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.907 -14.677 -3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.590 -17.040 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.468 -16.744 -4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.118 -17.521 -2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.447 -15.697 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.264 -16.134 -0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.217 -14.421 -0.810 1.00 0.00 H new ATOM 1509 N VAL A 104 3.802 -13.335 -1.610 1.00 0.00 N ATOM 1510 CA VAL A 104 5.246 -13.219 -1.606 1.00 0.00 C ATOM 1511 C VAL A 104 5.857 -14.508 -1.080 1.00 0.00 C ATOM 1512 O VAL A 104 5.418 -15.052 -0.064 1.00 0.00 O ATOM 1513 CB VAL A 104 5.751 -12.001 -0.788 1.00 0.00 C ATOM 1514 CG1 VAL A 104 5.205 -10.701 -1.357 1.00 0.00 C ATOM 1515 CG2 VAL A 104 5.390 -12.118 0.682 1.00 0.00 C ATOM 0 H VAL A 104 3.370 -13.285 -0.687 1.00 0.00 H new ATOM 0 HA VAL A 104 5.564 -13.050 -2.635 1.00 0.00 H new ATOM 0 HB VAL A 104 6.838 -11.993 -0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.573 -9.862 -0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.534 -10.589 -2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 104 4.116 -10.718 -1.323 1.00 0.00 H new ATOM 0 HG21 VAL A 104 5.762 -11.245 1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.307 -12.174 0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.842 -13.019 1.097 1.00 0.00 H new ATOM 1525 N GLY A 105 6.848 -15.012 -1.789 1.00 0.00 N ATOM 1526 CA GLY A 105 7.428 -16.284 -1.432 1.00 0.00 C ATOM 1527 C GLY A 105 8.811 -16.128 -0.858 1.00 0.00 C ATOM 1528 O GLY A 105 9.358 -15.028 -0.838 1.00 0.00 O ATOM 0 H GLY A 105 7.262 -14.563 -2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.788 -16.784 -0.706 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.471 -16.924 -2.313 1.00 0.00 H new ATOM 1532 N THR A 106 9.378 -17.215 -0.379 1.00 0.00 N ATOM 1533 CA THR A 106 10.729 -17.186 0.130 1.00 0.00 C ATOM 1534 C THR A 106 11.722 -17.154 -1.024 1.00 0.00 C ATOM 1535 O THR A 106 11.590 -17.906 -1.995 1.00 0.00 O ATOM 1536 CB THR A 106 11.000 -18.386 1.049 1.00 0.00 C ATOM 1537 OG1 THR A 106 10.576 -19.598 0.410 1.00 0.00 O ATOM 1538 CG2 THR A 106 10.268 -18.217 2.373 1.00 0.00 C ATOM 0 H THR A 106 8.924 -18.127 -0.332 1.00 0.00 H new ATOM 0 HA THR A 106 10.853 -16.280 0.724 1.00 0.00 H new ATOM 0 HB THR A 106 12.071 -18.439 1.245 1.00 0.00 H new ATOM 0 HG1 THR A 106 10.414 -20.286 1.089 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.470 -19.076 3.013 1.00 0.00 H new ATOM 0 HG22 THR A 106 10.613 -17.308 2.866 1.00 0.00 H new ATOM 0 HG23 THR A 106 9.196 -18.146 2.190 1.00 0.00 H new ATOM 1546 N LEU A 107 12.686 -16.254 -0.929 1.00 0.00 N ATOM 1547 CA LEU A 107 13.654 -16.040 -1.991 1.00 0.00 C ATOM 1548 C LEU A 107 14.497 -17.290 -2.220 1.00 0.00 C ATOM 1549 O LEU A 107 15.124 -17.807 -1.289 1.00 0.00 O ATOM 1550 CB LEU A 107 14.542 -14.839 -1.644 1.00 0.00 C ATOM 1551 CG LEU A 107 15.528 -14.404 -2.733 1.00 0.00 C ATOM 1552 CD1 LEU A 107 14.795 -14.081 -4.022 1.00 0.00 C ATOM 1553 CD2 LEU A 107 16.331 -13.197 -2.270 1.00 0.00 C ATOM 0 H LEU A 107 12.819 -15.653 -0.116 1.00 0.00 H new ATOM 0 HA LEU A 107 13.120 -15.829 -2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 107 13.899 -13.993 -1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 107 15.107 -15.077 -0.743 1.00 0.00 H new ATOM 0 HG LEU A 107 16.213 -15.230 -2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 107 15.514 -13.774 -4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 107 14.258 -14.965 -4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 107 14.087 -13.272 -3.845 1.00 0.00 H new ATOM 0 HD21 LEU A 107 17.027 -12.900 -3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 107 15.654 -12.371 -2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 107 16.888 -13.454 -1.369 1.00 0.00 H new ATOM 1565 N GLU A 108 14.481 -17.777 -3.458 1.00 0.00 N ATOM 1566 CA GLU A 108 15.270 -18.938 -3.847 1.00 0.00 C ATOM 1567 C GLU A 108 16.740 -18.687 -3.550 1.00 0.00 C ATOM 1568 O GLU A 108 17.433 -19.525 -2.969 1.00 0.00 O ATOM 1569 CB GLU A 108 15.102 -19.221 -5.340 1.00 0.00 C ATOM 1570 CG GLU A 108 15.972 -20.360 -5.845 1.00 0.00 C ATOM 1571 CD GLU A 108 16.434 -20.146 -7.271 1.00 0.00 C ATOM 1572 OE1 GLU A 108 15.688 -20.508 -8.202 1.00 0.00 O ATOM 1573 OE2 GLU A 108 17.544 -19.608 -7.461 1.00 0.00 O ATOM 0 H GLU A 108 13.924 -17.379 -4.214 1.00 0.00 H new ATOM 0 HA GLU A 108 14.921 -19.799 -3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 108 14.057 -19.456 -5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 108 15.339 -18.317 -5.901 1.00 0.00 H new ATOM 0 HG2 GLU A 108 16.842 -20.464 -5.196 1.00 0.00 H new ATOM 0 HG3 GLU A 108 15.414 -21.294 -5.783 1.00 0.00 H new ATOM 1580 N HIS A 109 17.200 -17.516 -3.954 1.00 0.00 N ATOM 1581 CA HIS A 109 18.571 -17.110 -3.716 1.00 0.00 C ATOM 1582 C HIS A 109 18.711 -16.709 -2.259 1.00 0.00 C ATOM 1583 O HIS A 109 18.289 -15.626 -1.867 1.00 0.00 O ATOM 1584 CB HIS A 109 18.960 -15.953 -4.645 1.00 0.00 C ATOM 1585 CG HIS A 109 18.803 -16.280 -6.101 1.00 0.00 C ATOM 1586 ND1 HIS A 109 19.858 -16.621 -6.915 1.00 0.00 N ATOM 1587 CD2 HIS A 109 17.700 -16.332 -6.884 1.00 0.00 C ATOM 1588 CE1 HIS A 109 19.413 -16.873 -8.130 1.00 0.00 C ATOM 1589 NE2 HIS A 109 18.104 -16.705 -8.140 1.00 0.00 N ATOM 0 H HIS A 109 16.638 -16.826 -4.452 1.00 0.00 H new ATOM 0 HA HIS A 109 19.245 -17.940 -3.930 1.00 0.00 H new ATOM 0 HB2 HIS A 109 18.347 -15.084 -4.407 1.00 0.00 H new ATOM 0 HB3 HIS A 109 19.996 -15.675 -4.452 1.00 0.00 H new ATOM 0 HD1 HIS A 109 20.834 -16.671 -6.623 1.00 0.00 H new ATOM 0 HD2 HIS A 109 16.687 -16.119 -6.576 1.00 0.00 H new ATOM 0 HE1 HIS A 109 20.018 -17.167 -8.975 1.00 0.00 H new ATOM 1598 N HIS A 110 19.283 -17.599 -1.460 1.00 0.00 N ATOM 1599 CA HIS A 110 19.300 -17.431 -0.009 1.00 0.00 C ATOM 1600 C HIS A 110 20.021 -16.148 0.392 1.00 0.00 C ATOM 1601 O HIS A 110 19.760 -15.581 1.452 1.00 0.00 O ATOM 1602 CB HIS A 110 19.953 -18.641 0.654 1.00 0.00 C ATOM 1603 CG HIS A 110 19.457 -18.889 2.043 1.00 0.00 C ATOM 1604 ND1 HIS A 110 18.279 -19.554 2.307 1.00 0.00 N ATOM 1605 CD2 HIS A 110 19.981 -18.563 3.245 1.00 0.00 C ATOM 1606 CE1 HIS A 110 18.101 -19.624 3.613 1.00 0.00 C ATOM 1607 NE2 HIS A 110 19.121 -19.030 4.206 1.00 0.00 N ATOM 0 H HIS A 110 19.743 -18.447 -1.791 1.00 0.00 H new ATOM 0 HA HIS A 110 18.268 -17.354 0.335 1.00 0.00 H new ATOM 0 HB2 HIS A 110 19.767 -19.526 0.045 1.00 0.00 H new ATOM 0 HB3 HIS A 110 21.033 -18.494 0.681 1.00 0.00 H new ATOM 0 HD2 HIS A 110 20.906 -18.033 3.417 1.00 0.00 H new ATOM 0 HE1 HIS A 110 17.263 -20.088 4.112 1.00 0.00 H new ATOM 0 HE2 HIS A 110 19.248 -18.934 5.214 1.00 0.00 H new ATOM 1616 N HIS A 111 20.937 -15.712 -0.455 1.00 0.00 N ATOM 1617 CA HIS A 111 21.576 -14.414 -0.313 1.00 0.00 C ATOM 1618 C HIS A 111 21.782 -13.842 -1.700 1.00 0.00 C ATOM 1619 O HIS A 111 21.974 -14.602 -2.654 1.00 0.00 O ATOM 1620 CB HIS A 111 22.937 -14.519 0.390 1.00 0.00 C ATOM 1621 CG HIS A 111 22.884 -15.083 1.775 1.00 0.00 C ATOM 1622 ND1 HIS A 111 23.437 -16.299 2.104 1.00 0.00 N ATOM 1623 CD2 HIS A 111 22.361 -14.589 2.921 1.00 0.00 C ATOM 1624 CE1 HIS A 111 23.253 -16.532 3.387 1.00 0.00 C ATOM 1625 NE2 HIS A 111 22.603 -15.512 3.910 1.00 0.00 N ATOM 0 H HIS A 111 21.259 -16.248 -1.261 1.00 0.00 H new ATOM 0 HA HIS A 111 20.937 -13.774 0.296 1.00 0.00 H new ATOM 0 HB2 HIS A 111 23.596 -15.141 -0.216 1.00 0.00 H new ATOM 0 HB3 HIS A 111 23.386 -13.527 0.433 1.00 0.00 H new ATOM 0 HD2 HIS A 111 21.849 -13.645 3.037 1.00 0.00 H new ATOM 0 HE1 HIS A 111 23.580 -17.412 3.921 1.00 0.00 H new ATOM 0 HE2 HIS A 111 22.325 -15.422 4.887 1.00 0.00 H new ATOM 1634 N HIS A 112 21.749 -12.525 -1.831 1.00 0.00 N ATOM 1635 CA HIS A 112 21.995 -11.910 -3.125 1.00 0.00 C ATOM 1636 C HIS A 112 23.494 -11.877 -3.382 1.00 0.00 C ATOM 1637 O HIS A 112 24.150 -10.841 -3.263 1.00 0.00 O ATOM 1638 CB HIS A 112 21.391 -10.510 -3.213 1.00 0.00 C ATOM 1639 CG HIS A 112 21.289 -10.012 -4.622 1.00 0.00 C ATOM 1640 ND1 HIS A 112 21.991 -8.927 -5.095 1.00 0.00 N ATOM 1641 CD2 HIS A 112 20.555 -10.466 -5.664 1.00 0.00 C ATOM 1642 CE1 HIS A 112 21.694 -8.736 -6.367 1.00 0.00 C ATOM 1643 NE2 HIS A 112 20.825 -9.657 -6.734 1.00 0.00 N ATOM 0 H HIS A 112 21.558 -11.871 -1.072 1.00 0.00 H new ATOM 0 HA HIS A 112 21.507 -12.508 -3.895 1.00 0.00 H new ATOM 0 HB2 HIS A 112 20.399 -10.518 -2.762 1.00 0.00 H new ATOM 0 HB3 HIS A 112 22.000 -9.819 -2.631 1.00 0.00 H new ATOM 0 HD2 HIS A 112 19.881 -11.310 -5.653 1.00 0.00 H new ATOM 0 HE1 HIS A 112 22.095 -7.958 -6.999 1.00 0.00 H new ATOM 0 HE2 HIS A 112 20.419 -9.751 -7.665 1.00 0.00 H new ATOM 1652 N HIS A 113 24.016 -13.045 -3.703 1.00 0.00 N ATOM 1653 CA HIS A 113 25.444 -13.271 -3.874 1.00 0.00 C ATOM 1654 C HIS A 113 25.627 -14.549 -4.681 1.00 0.00 C ATOM 1655 O HIS A 113 26.631 -14.736 -5.370 1.00 0.00 O ATOM 1656 CB HIS A 113 26.121 -13.383 -2.499 1.00 0.00 C ATOM 1657 CG HIS A 113 27.605 -13.601 -2.538 1.00 0.00 C ATOM 1658 ND1 HIS A 113 28.258 -14.445 -1.666 1.00 0.00 N ATOM 1659 CD2 HIS A 113 28.567 -13.072 -3.334 1.00 0.00 C ATOM 1660 CE1 HIS A 113 29.552 -14.427 -1.923 1.00 0.00 C ATOM 1661 NE2 HIS A 113 29.769 -13.604 -2.930 1.00 0.00 N ATOM 0 H HIS A 113 23.452 -13.881 -3.856 1.00 0.00 H new ATOM 0 HA HIS A 113 25.906 -12.438 -4.404 1.00 0.00 H new ATOM 0 HB2 HIS A 113 25.918 -12.472 -1.935 1.00 0.00 H new ATOM 0 HB3 HIS A 113 25.662 -14.206 -1.951 1.00 0.00 H new ATOM 0 HD2 HIS A 113 28.417 -12.364 -4.136 1.00 0.00 H new ATOM 0 HE1 HIS A 113 30.307 -14.992 -1.397 1.00 0.00 H new ATOM 0 HE2 HIS A 113 30.679 -13.396 -3.342 1.00 0.00 H new ATOM 1670 N HIS A 114 24.634 -15.422 -4.571 1.00 0.00 N ATOM 1671 CA HIS A 114 24.547 -16.612 -5.396 1.00 0.00 C ATOM 1672 C HIS A 114 23.427 -16.431 -6.411 1.00 0.00 C ATOM 1673 O HIS A 114 22.261 -16.676 -6.049 1.00 0.00 O ATOM 1674 CB HIS A 114 24.283 -17.854 -4.531 1.00 0.00 C ATOM 1675 CG HIS A 114 23.951 -19.086 -5.324 1.00 0.00 C ATOM 1676 ND1 HIS A 114 22.762 -19.769 -5.186 1.00 0.00 N ATOM 1677 CD2 HIS A 114 24.657 -19.753 -6.267 1.00 0.00 C ATOM 1678 CE1 HIS A 114 22.753 -20.801 -6.007 1.00 0.00 C ATOM 1679 NE2 HIS A 114 23.889 -20.815 -6.675 1.00 0.00 N ATOM 1680 OXT HIS A 114 23.719 -16.036 -7.551 1.00 0.00 O ATOM 0 H HIS A 114 23.867 -15.322 -3.906 1.00 0.00 H new ATOM 0 HA HIS A 114 25.494 -16.758 -5.916 1.00 0.00 H new ATOM 0 HB2 HIS A 114 25.163 -18.053 -3.920 1.00 0.00 H new ATOM 0 HB3 HIS A 114 23.461 -17.641 -3.847 1.00 0.00 H new ATOM 0 HD2 HIS A 114 25.641 -19.497 -6.631 1.00 0.00 H new ATOM 0 HE1 HIS A 114 21.950 -21.515 -6.114 1.00 0.00 H new ATOM 0 HE2 HIS A 114 24.154 -21.503 -7.380 1.00 0.00 H new TER 1689 HIS A 114