USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=33 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 18 ASN : amide:sc= -0.592 K(o=-0.65,f=-0.091) USER MOD Set 1.2: A 110 HIS : no HD1:sc= -0.0586 K(o=-0.65,f=-0.091) USER MOD Set 2.1: A 98 ASN : amide:sc= 0.0888 K(o=0.089,f=-1.6) USER MOD Set 2.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 94 ASN : amide:sc= -0.918 K(o=-0.69,f=-1.7!) USER MOD Set 3.2: A 96 SER OG : rot 32:sc= 0.231 USER MOD Set 4.1: A 39 ASN : amide:sc= 1.16 K(o=2.4,f=-1.1) USER MOD Set 4.2: A 53 THR OG1 : rot -95:sc= 1.28 USER MOD Set 5.1: A 26 THR OG1 : rot -63:sc= 0.218 USER MOD Set 5.2: A 64 ASN : amide:sc= 0.202 K(o=0.42,f=-1.3) USER MOD Single : A 1 MET CE :methyl 135:sc= -0.48 (180deg=-1.06) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0479) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.342 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0736 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0556 USER MOD Single : A 21 ASN : amide:sc= -2.4! C(o=-2.4!,f=-6.1!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -117:sc= -1.27 (180deg=-3.95!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.179 K(o=0.18,f=-5.7!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 32 ASN : amide:sc= -3.93! C(o=-3.9!,f=-9.7!) USER MOD Single : A 33 LYS NZ :NH3+ -135:sc= 0.59 (180deg=-0.491) USER MOD Single : A 35 SER OG : rot -38:sc= -1.18 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0762 USER MOD Single : A 37 SER OG : rot -35:sc= 1.26 USER MOD Single : A 41 SER OG : rot 180:sc= -1.38 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.32 K(o=-1.3,f=-8.2!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00194 USER MOD Single : A 56 SER OG : rot 26:sc= 1.28 USER MOD Single : A 59 SER OG : rot -82:sc= 1.13 USER MOD Single : A 61 ASN : amide:sc= 0.0346 K(o=0.035,f=-8.1!) USER MOD Single : A 62 SER OG : rot 39:sc= 0.0866 USER MOD Single : A 63 THR OG1 : rot 175:sc= -2.33! USER MOD Single : A 68 HIS : no HE2:sc= -0.138 K(o=0.97,f=-6.5!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.901 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0141 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 44:sc= 0.0239 USER MOD Single : A 78 TYR OH : rot 180:sc= 0.256 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc=-0.000726 X(o=-0.00073,f=-0.26) USER MOD Single : A 88 ASN : amide:sc= -1.8! K(o=-1.8!,f=-0.19) USER MOD Single : A 91 ASN : amide:sc= -0.067 K(o=-0.067,f=-1.9!) USER MOD Single : A 97 ASN : amide:sc= 0.558 K(o=0.56,f=-7.8!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 130:sc= -2.36! USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 112 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.035) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=-0.008) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.866 15.326 -8.705 1.00 0.00 N ATOM 2 CA MET A 1 -13.441 15.077 -8.394 1.00 0.00 C ATOM 3 C MET A 1 -13.319 14.169 -7.183 1.00 0.00 C ATOM 4 O MET A 1 -13.691 14.547 -6.074 1.00 0.00 O ATOM 5 CB MET A 1 -12.701 16.392 -8.130 1.00 0.00 C ATOM 6 CG MET A 1 -12.628 17.304 -9.341 1.00 0.00 C ATOM 7 SD MET A 1 -11.643 18.784 -9.046 1.00 0.00 S ATOM 8 CE MET A 1 -10.047 18.064 -8.674 1.00 0.00 C ATOM 0 H1 MET A 1 -14.939 15.863 -9.593 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.363 14.418 -8.808 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.299 15.872 -7.933 1.00 0.00 H new ATOM 0 HA MET A 1 -12.987 14.590 -9.257 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.198 16.921 -7.317 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.689 16.168 -7.793 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.204 16.752 -10.180 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.637 17.597 -9.630 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.269 18.606 -9.211 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.860 18.128 -7.602 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.039 17.018 -8.982 1.00 0.00 H new ATOM 20 N ILE A 2 -12.810 12.968 -7.397 1.00 0.00 N ATOM 21 CA ILE A 2 -12.650 12.009 -6.318 1.00 0.00 C ATOM 22 C ILE A 2 -11.374 11.192 -6.530 1.00 0.00 C ATOM 23 O ILE A 2 -11.022 10.866 -7.667 1.00 0.00 O ATOM 24 CB ILE A 2 -13.892 11.077 -6.212 1.00 0.00 C ATOM 25 CG1 ILE A 2 -13.905 10.328 -4.879 1.00 0.00 C ATOM 26 CG2 ILE A 2 -13.934 10.089 -7.371 1.00 0.00 C ATOM 27 CD1 ILE A 2 -15.205 9.604 -4.604 1.00 0.00 C ATOM 0 H ILE A 2 -12.500 12.634 -8.309 1.00 0.00 H new ATOM 0 HA ILE A 2 -12.564 12.555 -5.378 1.00 0.00 H new ATOM 0 HB ILE A 2 -14.781 11.706 -6.262 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -13.088 9.607 -4.869 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -13.715 11.036 -4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -14.811 9.450 -7.273 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -13.987 10.635 -8.313 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -13.034 9.474 -7.358 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -15.142 9.095 -3.642 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -16.024 10.323 -4.581 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -15.387 8.872 -5.390 1.00 0.00 H new ATOM 39 N PRO A 3 -10.625 10.922 -5.454 1.00 0.00 N ATOM 40 CA PRO A 3 -9.427 10.083 -5.517 1.00 0.00 C ATOM 41 C PRO A 3 -9.764 8.615 -5.765 1.00 0.00 C ATOM 42 O PRO A 3 -10.895 8.174 -5.545 1.00 0.00 O ATOM 43 CB PRO A 3 -8.782 10.255 -4.132 1.00 0.00 C ATOM 44 CG PRO A 3 -9.476 11.421 -3.512 1.00 0.00 C ATOM 45 CD PRO A 3 -10.855 11.431 -4.097 1.00 0.00 C ATOM 0 HA PRO A 3 -8.774 10.374 -6.340 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.906 9.357 -3.527 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.711 10.436 -4.218 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.512 11.323 -2.427 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.951 12.351 -3.731 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.539 10.795 -3.535 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.285 12.432 -4.106 1.00 0.00 H new ATOM 53 N ASP A 4 -8.781 7.874 -6.242 1.00 0.00 N ATOM 54 CA ASP A 4 -8.924 6.444 -6.469 1.00 0.00 C ATOM 55 C ASP A 4 -7.600 5.772 -6.127 1.00 0.00 C ATOM 56 O ASP A 4 -6.711 5.665 -6.973 1.00 0.00 O ATOM 57 CB ASP A 4 -9.308 6.179 -7.929 1.00 0.00 C ATOM 58 CG ASP A 4 -9.908 4.804 -8.162 1.00 0.00 C ATOM 59 OD1 ASP A 4 -9.152 3.812 -8.212 1.00 0.00 O ATOM 60 OD2 ASP A 4 -11.147 4.715 -8.329 1.00 0.00 O ATOM 0 H ASP A 4 -7.862 8.244 -6.483 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.714 6.037 -5.838 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.022 6.937 -8.251 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.422 6.290 -8.554 1.00 0.00 H new ATOM 65 N LEU A 5 -7.452 5.363 -4.874 1.00 0.00 N ATOM 66 CA LEU A 5 -6.168 4.905 -4.368 1.00 0.00 C ATOM 67 C LEU A 5 -5.964 3.430 -4.673 1.00 0.00 C ATOM 68 O LEU A 5 -6.617 2.562 -4.101 1.00 0.00 O ATOM 69 CB LEU A 5 -6.070 5.163 -2.862 1.00 0.00 C ATOM 70 CG LEU A 5 -6.273 6.623 -2.445 1.00 0.00 C ATOM 71 CD1 LEU A 5 -6.243 6.760 -0.932 1.00 0.00 C ATOM 72 CD2 LEU A 5 -5.213 7.507 -3.078 1.00 0.00 C ATOM 0 H LEU A 5 -8.208 5.340 -4.189 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.379 5.466 -4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.813 4.548 -2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -5.091 4.833 -2.514 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.252 6.946 -2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.389 7.805 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.039 6.156 -0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.279 6.417 -0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.371 8.541 -2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.225 7.180 -2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.281 7.436 -4.164 1.00 0.00 H new ATOM 84 N VAL A 6 -5.047 3.154 -5.582 1.00 0.00 N ATOM 85 CA VAL A 6 -4.823 1.800 -6.046 1.00 0.00 C ATOM 86 C VAL A 6 -3.439 1.296 -5.658 1.00 0.00 C ATOM 87 O VAL A 6 -2.426 1.798 -6.151 1.00 0.00 O ATOM 88 CB VAL A 6 -4.970 1.706 -7.579 1.00 0.00 C ATOM 89 CG1 VAL A 6 -4.820 0.268 -8.053 1.00 0.00 C ATOM 90 CG2 VAL A 6 -6.302 2.287 -8.026 1.00 0.00 C ATOM 0 H VAL A 6 -4.444 3.854 -6.014 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.578 1.178 -5.566 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.172 2.293 -8.033 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.928 0.229 -9.137 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.836 -0.107 -7.773 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.589 -0.350 -7.590 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.386 2.211 -9.110 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.116 1.732 -7.559 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.360 3.334 -7.730 1.00 0.00 H new ATOM 100 N PRO A 7 -3.379 0.322 -4.743 1.00 0.00 N ATOM 101 CA PRO A 7 -2.158 -0.430 -4.489 1.00 0.00 C ATOM 102 C PRO A 7 -1.826 -1.300 -5.697 1.00 0.00 C ATOM 103 O PRO A 7 -2.437 -2.345 -5.916 1.00 0.00 O ATOM 104 CB PRO A 7 -2.494 -1.281 -3.264 1.00 0.00 C ATOM 105 CG PRO A 7 -3.981 -1.370 -3.249 1.00 0.00 C ATOM 106 CD PRO A 7 -4.489 -0.108 -3.882 1.00 0.00 C ATOM 0 HA PRO A 7 -1.287 0.203 -4.318 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.041 -2.270 -3.335 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -2.117 -0.822 -2.350 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.323 -2.246 -3.801 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.354 -1.470 -2.230 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.397 -0.287 -4.458 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.730 0.646 -3.133 1.00 0.00 H new ATOM 114 N VAL A 8 -0.877 -0.838 -6.488 1.00 0.00 N ATOM 115 CA VAL A 8 -0.604 -1.432 -7.787 1.00 0.00 C ATOM 116 C VAL A 8 0.223 -2.702 -7.655 1.00 0.00 C ATOM 117 O VAL A 8 -0.170 -3.768 -8.134 1.00 0.00 O ATOM 118 CB VAL A 8 0.145 -0.439 -8.701 1.00 0.00 C ATOM 119 CG1 VAL A 8 0.200 -0.953 -10.128 1.00 0.00 C ATOM 120 CG2 VAL A 8 -0.503 0.935 -8.648 1.00 0.00 C ATOM 0 H VAL A 8 -0.277 -0.047 -6.253 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.568 -1.681 -8.231 1.00 0.00 H new ATOM 0 HB VAL A 8 1.168 -0.348 -8.335 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.733 -0.236 -10.753 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.720 -1.910 -10.150 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.814 -1.082 -10.507 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.041 1.619 -9.299 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.538 0.862 -8.981 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.477 1.310 -7.625 1.00 0.00 H new ATOM 130 N SER A 9 1.366 -2.585 -7.003 1.00 0.00 N ATOM 131 CA SER A 9 2.292 -3.694 -6.903 1.00 0.00 C ATOM 132 C SER A 9 3.017 -3.666 -5.563 1.00 0.00 C ATOM 133 O SER A 9 3.021 -2.645 -4.868 1.00 0.00 O ATOM 134 CB SER A 9 3.294 -3.631 -8.060 1.00 0.00 C ATOM 135 OG SER A 9 4.073 -4.813 -8.146 1.00 0.00 O ATOM 0 H SER A 9 1.673 -1.732 -6.535 1.00 0.00 H new ATOM 0 HA SER A 9 1.736 -4.629 -6.965 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.758 -3.480 -8.997 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.951 -2.772 -7.926 1.00 0.00 H new ATOM 0 HG SER A 9 4.700 -4.738 -8.896 1.00 0.00 H new ATOM 141 N LEU A 10 3.621 -4.789 -5.214 1.00 0.00 N ATOM 142 CA LEU A 10 4.332 -4.939 -3.956 1.00 0.00 C ATOM 143 C LEU A 10 5.675 -5.619 -4.202 1.00 0.00 C ATOM 144 O LEU A 10 5.735 -6.823 -4.452 1.00 0.00 O ATOM 145 CB LEU A 10 3.482 -5.758 -2.978 1.00 0.00 C ATOM 146 CG LEU A 10 4.154 -6.132 -1.656 1.00 0.00 C ATOM 147 CD1 LEU A 10 4.528 -4.895 -0.856 1.00 0.00 C ATOM 148 CD2 LEU A 10 3.241 -7.034 -0.845 1.00 0.00 C ATOM 0 H LEU A 10 3.632 -5.626 -5.797 1.00 0.00 H new ATOM 0 HA LEU A 10 4.515 -3.957 -3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.576 -5.195 -2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.172 -6.676 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 10 5.074 -6.670 -1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.003 -5.196 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.220 -4.283 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.629 -4.318 -0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.728 -7.295 0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.306 -6.513 -0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.032 -7.943 -1.410 1.00 0.00 H new ATOM 160 N THR A 11 6.742 -4.839 -4.159 1.00 0.00 N ATOM 161 CA THR A 11 8.073 -5.350 -4.436 1.00 0.00 C ATOM 162 C THR A 11 8.908 -5.451 -3.163 1.00 0.00 C ATOM 163 O THR A 11 8.799 -4.613 -2.270 1.00 0.00 O ATOM 164 CB THR A 11 8.800 -4.457 -5.459 1.00 0.00 C ATOM 165 OG1 THR A 11 8.642 -3.078 -5.101 1.00 0.00 O ATOM 166 CG2 THR A 11 8.259 -4.688 -6.861 1.00 0.00 C ATOM 0 H THR A 11 6.711 -3.845 -3.934 1.00 0.00 H new ATOM 0 HA THR A 11 7.954 -6.350 -4.853 1.00 0.00 H new ATOM 0 HB THR A 11 9.859 -4.717 -5.450 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.108 -2.515 -5.754 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.788 -4.046 -7.565 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.405 -5.731 -7.140 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.195 -4.452 -6.884 1.00 0.00 H new ATOM 174 N PRO A 12 9.740 -6.492 -3.053 1.00 0.00 N ATOM 175 CA PRO A 12 9.820 -7.552 -4.050 1.00 0.00 C ATOM 176 C PRO A 12 8.789 -8.650 -3.802 1.00 0.00 C ATOM 177 O PRO A 12 8.309 -8.822 -2.682 1.00 0.00 O ATOM 178 CB PRO A 12 11.238 -8.084 -3.855 1.00 0.00 C ATOM 179 CG PRO A 12 11.526 -7.880 -2.404 1.00 0.00 C ATOM 180 CD PRO A 12 10.689 -6.708 -1.947 1.00 0.00 C ATOM 0 HA PRO A 12 9.614 -7.199 -5.061 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.306 -9.137 -4.128 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.952 -7.546 -4.479 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.280 -8.775 -1.833 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.586 -7.682 -2.246 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.170 -6.928 -1.014 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.303 -5.825 -1.770 1.00 0.00 H new ATOM 188 N VAL A 13 8.458 -9.398 -4.845 1.00 0.00 N ATOM 189 CA VAL A 13 7.507 -10.496 -4.720 1.00 0.00 C ATOM 190 C VAL A 13 8.209 -11.746 -4.198 1.00 0.00 C ATOM 191 O VAL A 13 7.626 -12.827 -4.132 1.00 0.00 O ATOM 192 CB VAL A 13 6.802 -10.814 -6.060 1.00 0.00 C ATOM 193 CG1 VAL A 13 6.003 -9.614 -6.543 1.00 0.00 C ATOM 194 CG2 VAL A 13 7.804 -11.251 -7.120 1.00 0.00 C ATOM 0 H VAL A 13 8.832 -9.266 -5.785 1.00 0.00 H new ATOM 0 HA VAL A 13 6.743 -10.180 -4.010 1.00 0.00 H new ATOM 0 HB VAL A 13 6.114 -11.642 -5.887 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.515 -9.858 -7.487 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.248 -9.356 -5.800 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.672 -8.766 -6.689 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.279 -11.467 -8.050 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.527 -10.453 -7.289 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.325 -12.146 -6.781 1.00 0.00 H new ATOM 204 N THR A 14 9.475 -11.590 -3.846 1.00 0.00 N ATOM 205 CA THR A 14 10.256 -12.658 -3.254 1.00 0.00 C ATOM 206 C THR A 14 11.261 -12.053 -2.273 1.00 0.00 C ATOM 207 O THR A 14 12.130 -11.278 -2.668 1.00 0.00 O ATOM 208 CB THR A 14 10.997 -13.468 -4.335 1.00 0.00 C ATOM 209 OG1 THR A 14 10.154 -13.632 -5.485 1.00 0.00 O ATOM 210 CG2 THR A 14 11.396 -14.835 -3.814 1.00 0.00 C ATOM 0 H THR A 14 9.989 -10.717 -3.964 1.00 0.00 H new ATOM 0 HA THR A 14 9.585 -13.338 -2.729 1.00 0.00 H new ATOM 0 HB THR A 14 11.898 -12.919 -4.608 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.631 -14.146 -6.169 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.917 -15.385 -4.598 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.054 -14.718 -2.953 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.504 -15.386 -3.516 1.00 0.00 H new ATOM 218 N VAL A 15 11.130 -12.394 -0.997 1.00 0.00 N ATOM 219 CA VAL A 15 11.895 -11.729 0.050 1.00 0.00 C ATOM 220 C VAL A 15 12.894 -12.674 0.707 1.00 0.00 C ATOM 221 O VAL A 15 12.691 -13.887 0.747 1.00 0.00 O ATOM 222 CB VAL A 15 10.967 -11.139 1.134 1.00 0.00 C ATOM 223 CG1 VAL A 15 10.137 -9.998 0.567 1.00 0.00 C ATOM 224 CG2 VAL A 15 10.063 -12.217 1.716 1.00 0.00 C ATOM 0 H VAL A 15 10.503 -13.126 -0.663 1.00 0.00 H new ATOM 0 HA VAL A 15 12.443 -10.920 -0.433 1.00 0.00 H new ATOM 0 HB VAL A 15 11.591 -10.745 1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.490 -9.596 1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.799 -9.212 0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.526 -10.367 -0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.418 -11.779 2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.449 -12.645 0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.674 -13.001 2.165 1.00 0.00 H new ATOM 234 N VAL A 16 13.978 -12.109 1.217 1.00 0.00 N ATOM 235 CA VAL A 16 14.999 -12.892 1.897 1.00 0.00 C ATOM 236 C VAL A 16 14.783 -12.819 3.398 1.00 0.00 C ATOM 237 O VAL A 16 14.878 -11.745 3.983 1.00 0.00 O ATOM 238 CB VAL A 16 16.421 -12.381 1.587 1.00 0.00 C ATOM 239 CG1 VAL A 16 17.436 -13.503 1.746 1.00 0.00 C ATOM 240 CG2 VAL A 16 16.490 -11.762 0.198 1.00 0.00 C ATOM 0 H VAL A 16 14.174 -11.109 1.173 1.00 0.00 H new ATOM 0 HA VAL A 16 14.912 -13.918 1.539 1.00 0.00 H new ATOM 0 HB VAL A 16 16.668 -11.598 2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 16 18.434 -13.125 1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 16 17.409 -13.876 2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 16 17.193 -14.313 1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.504 -11.410 0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 16 16.218 -12.509 -0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 16 15.798 -10.922 0.139 1.00 0.00 H new ATOM 250 N PRO A 17 14.473 -13.947 4.043 1.00 0.00 N ATOM 251 CA PRO A 17 14.249 -13.990 5.490 1.00 0.00 C ATOM 252 C PRO A 17 15.509 -13.655 6.289 1.00 0.00 C ATOM 253 O PRO A 17 16.548 -13.316 5.717 1.00 0.00 O ATOM 254 CB PRO A 17 13.824 -15.442 5.752 1.00 0.00 C ATOM 255 CG PRO A 17 13.438 -15.985 4.417 1.00 0.00 C ATOM 256 CD PRO A 17 14.294 -15.265 3.420 1.00 0.00 C ATOM 0 HA PRO A 17 13.509 -13.253 5.801 1.00 0.00 H new ATOM 0 HB2 PRO A 17 14.639 -16.018 6.190 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.989 -15.488 6.452 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.604 -17.061 4.370 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.380 -15.817 4.218 1.00 0.00 H new ATOM 0 HD2 PRO A 17 15.246 -15.772 3.263 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.808 -15.191 2.447 1.00 0.00 H new ATOM 264 N ASN A 18 15.401 -13.771 7.615 1.00 0.00 N ATOM 265 CA ASN A 18 16.530 -13.563 8.536 1.00 0.00 C ATOM 266 C ASN A 18 16.871 -12.083 8.676 1.00 0.00 C ATOM 267 O ASN A 18 17.951 -11.733 9.154 1.00 0.00 O ATOM 268 CB ASN A 18 17.787 -14.334 8.090 1.00 0.00 C ATOM 269 CG ASN A 18 17.523 -15.794 7.778 1.00 0.00 C ATOM 270 OD1 ASN A 18 17.529 -16.648 8.666 1.00 0.00 O ATOM 271 ND2 ASN A 18 17.308 -16.093 6.505 1.00 0.00 N ATOM 0 H ASN A 18 14.528 -14.012 8.085 1.00 0.00 H new ATOM 0 HA ASN A 18 16.210 -13.949 9.504 1.00 0.00 H new ATOM 0 HB2 ASN A 18 18.205 -13.852 7.206 1.00 0.00 H new ATOM 0 HB3 ASN A 18 18.541 -14.269 8.875 1.00 0.00 H new ATOM 0 HD21 ASN A 18 17.139 -17.061 6.230 1.00 0.00 H new ATOM 0 HD22 ASN A 18 17.311 -15.356 5.800 1.00 0.00 H new ATOM 278 N THR A 19 15.948 -11.214 8.292 1.00 0.00 N ATOM 279 CA THR A 19 16.190 -9.780 8.337 1.00 0.00 C ATOM 280 C THR A 19 14.872 -9.009 8.221 1.00 0.00 C ATOM 281 O THR A 19 13.835 -9.593 7.900 1.00 0.00 O ATOM 282 CB THR A 19 17.153 -9.360 7.197 1.00 0.00 C ATOM 283 OG1 THR A 19 17.498 -7.974 7.302 1.00 0.00 O ATOM 284 CG2 THR A 19 16.538 -9.623 5.831 1.00 0.00 C ATOM 0 H THR A 19 15.025 -11.477 7.946 1.00 0.00 H new ATOM 0 HA THR A 19 16.652 -9.540 9.295 1.00 0.00 H new ATOM 0 HB THR A 19 18.055 -9.963 7.300 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.107 -7.732 6.574 1.00 0.00 H new ATOM 0 HG21 THR A 19 17.237 -9.318 5.052 1.00 0.00 H new ATOM 0 HG22 THR A 19 16.321 -10.686 5.728 1.00 0.00 H new ATOM 0 HG23 THR A 19 15.614 -9.053 5.732 1.00 0.00 H new ATOM 292 N VAL A 20 14.907 -7.713 8.521 1.00 0.00 N ATOM 293 CA VAL A 20 13.756 -6.855 8.288 1.00 0.00 C ATOM 294 C VAL A 20 13.788 -6.348 6.855 1.00 0.00 C ATOM 295 O VAL A 20 14.640 -5.538 6.483 1.00 0.00 O ATOM 296 CB VAL A 20 13.706 -5.655 9.256 1.00 0.00 C ATOM 297 CG1 VAL A 20 12.458 -4.820 9.009 1.00 0.00 C ATOM 298 CG2 VAL A 20 13.750 -6.129 10.697 1.00 0.00 C ATOM 0 H VAL A 20 15.716 -7.239 8.923 1.00 0.00 H new ATOM 0 HA VAL A 20 12.862 -7.453 8.465 1.00 0.00 H new ATOM 0 HB VAL A 20 14.580 -5.031 9.072 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.440 -3.978 9.701 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.466 -4.447 7.985 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.572 -5.436 9.164 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.714 -5.268 11.364 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.895 -6.777 10.893 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.672 -6.683 10.870 1.00 0.00 H new ATOM 308 N ASN A 21 12.867 -6.842 6.057 1.00 0.00 N ATOM 309 CA ASN A 21 12.844 -6.555 4.636 1.00 0.00 C ATOM 310 C ASN A 21 12.113 -5.258 4.354 1.00 0.00 C ATOM 311 O ASN A 21 10.972 -5.067 4.781 1.00 0.00 O ATOM 312 CB ASN A 21 12.168 -7.701 3.884 1.00 0.00 C ATOM 313 CG ASN A 21 12.814 -9.034 4.179 1.00 0.00 C ATOM 314 OD1 ASN A 21 12.539 -9.656 5.197 1.00 0.00 O ATOM 315 ND2 ASN A 21 13.665 -9.497 3.286 1.00 0.00 N ATOM 0 H ASN A 21 12.113 -7.453 6.372 1.00 0.00 H new ATOM 0 HA ASN A 21 13.874 -6.451 4.294 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.114 -7.741 4.158 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.212 -7.507 2.812 1.00 0.00 H new ATOM 0 HD21 ASN A 21 14.117 -10.400 3.432 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.872 -8.953 2.448 1.00 0.00 H new ATOM 322 N THR A 22 12.785 -4.363 3.654 1.00 0.00 N ATOM 323 CA THR A 22 12.163 -3.151 3.170 1.00 0.00 C ATOM 324 C THR A 22 11.350 -3.459 1.920 1.00 0.00 C ATOM 325 O THR A 22 11.908 -3.720 0.853 1.00 0.00 O ATOM 326 CB THR A 22 13.215 -2.070 2.856 1.00 0.00 C ATOM 327 OG1 THR A 22 13.882 -1.669 4.064 1.00 0.00 O ATOM 328 CG2 THR A 22 12.578 -0.861 2.192 1.00 0.00 C ATOM 0 H THR A 22 13.770 -4.457 3.408 1.00 0.00 H new ATOM 0 HA THR A 22 11.507 -2.767 3.951 1.00 0.00 H new ATOM 0 HB THR A 22 13.942 -2.495 2.164 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.550 -0.983 3.856 1.00 0.00 H new ATOM 0 HG21 THR A 22 13.345 -0.115 1.982 1.00 0.00 H new ATOM 0 HG22 THR A 22 12.104 -1.166 1.259 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.828 -0.433 2.857 1.00 0.00 H new ATOM 336 N MET A 23 10.036 -3.473 2.062 1.00 0.00 N ATOM 337 CA MET A 23 9.167 -3.758 0.939 1.00 0.00 C ATOM 338 C MET A 23 8.512 -2.484 0.443 1.00 0.00 C ATOM 339 O MET A 23 8.183 -1.595 1.227 1.00 0.00 O ATOM 340 CB MET A 23 8.113 -4.800 1.306 1.00 0.00 C ATOM 341 CG MET A 23 8.712 -6.138 1.707 1.00 0.00 C ATOM 342 SD MET A 23 7.499 -7.464 1.716 1.00 0.00 S ATOM 343 CE MET A 23 7.076 -7.538 -0.022 1.00 0.00 C ATOM 0 H MET A 23 9.551 -3.291 2.941 1.00 0.00 H new ATOM 0 HA MET A 23 9.776 -4.172 0.136 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.505 -4.420 2.127 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.445 -4.947 0.457 1.00 0.00 H new ATOM 0 HG2 MET A 23 9.518 -6.392 1.018 1.00 0.00 H new ATOM 0 HG3 MET A 23 9.156 -6.050 2.698 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.023 -7.288 -0.151 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.688 -6.827 -0.576 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.259 -8.544 -0.398 1.00 0.00 H new ATOM 353 N THR A 24 8.336 -2.405 -0.859 1.00 0.00 N ATOM 354 CA THR A 24 7.830 -1.211 -1.497 1.00 0.00 C ATOM 355 C THR A 24 6.470 -1.467 -2.139 1.00 0.00 C ATOM 356 O THR A 24 6.355 -2.220 -3.106 1.00 0.00 O ATOM 357 CB THR A 24 8.824 -0.728 -2.568 1.00 0.00 C ATOM 358 OG1 THR A 24 10.131 -0.592 -1.986 1.00 0.00 O ATOM 359 CG2 THR A 24 8.390 0.602 -3.159 1.00 0.00 C ATOM 0 H THR A 24 8.540 -3.168 -1.504 1.00 0.00 H new ATOM 0 HA THR A 24 7.712 -0.442 -0.734 1.00 0.00 H new ATOM 0 HB THR A 24 8.849 -1.467 -3.369 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.763 -0.286 -2.669 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.111 0.918 -3.913 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.408 0.492 -3.620 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.338 1.352 -2.369 1.00 0.00 H new ATOM 367 N ALA A 25 5.437 -0.861 -1.576 1.00 0.00 N ATOM 368 CA ALA A 25 4.115 -0.917 -2.169 1.00 0.00 C ATOM 369 C ALA A 25 3.863 0.347 -2.973 1.00 0.00 C ATOM 370 O ALA A 25 3.884 1.448 -2.428 1.00 0.00 O ATOM 371 CB ALA A 25 3.052 -1.090 -1.096 1.00 0.00 C ATOM 0 H ALA A 25 5.491 -0.325 -0.710 1.00 0.00 H new ATOM 0 HA ALA A 25 4.062 -1.778 -2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.068 -1.130 -1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.233 -2.016 -0.551 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.092 -0.248 -0.405 1.00 0.00 H new ATOM 377 N THR A 26 3.653 0.195 -4.266 1.00 0.00 N ATOM 378 CA THR A 26 3.418 1.336 -5.130 1.00 0.00 C ATOM 379 C THR A 26 1.935 1.679 -5.155 1.00 0.00 C ATOM 380 O THR A 26 1.124 0.939 -5.715 1.00 0.00 O ATOM 381 CB THR A 26 3.915 1.061 -6.561 1.00 0.00 C ATOM 382 OG1 THR A 26 5.291 0.654 -6.523 1.00 0.00 O ATOM 383 CG2 THR A 26 3.775 2.298 -7.437 1.00 0.00 C ATOM 0 H THR A 26 3.640 -0.707 -4.742 1.00 0.00 H new ATOM 0 HA THR A 26 3.977 2.182 -4.730 1.00 0.00 H new ATOM 0 HB THR A 26 3.304 0.266 -6.988 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.839 1.386 -6.171 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.134 2.075 -8.442 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.727 2.594 -7.483 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.364 3.112 -7.014 1.00 0.00 H new ATOM 391 N ILE A 27 1.583 2.781 -4.513 1.00 0.00 N ATOM 392 CA ILE A 27 0.200 3.217 -4.451 1.00 0.00 C ATOM 393 C ILE A 27 -0.023 4.367 -5.420 1.00 0.00 C ATOM 394 O ILE A 27 0.562 5.440 -5.265 1.00 0.00 O ATOM 395 CB ILE A 27 -0.195 3.679 -3.031 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.302 2.687 -1.971 1.00 0.00 C ATOM 397 CG2 ILE A 27 -1.706 3.854 -2.930 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.219 1.275 -2.141 1.00 0.00 C ATOM 0 H ILE A 27 2.240 3.391 -4.026 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.422 2.364 -4.721 1.00 0.00 H new ATOM 0 HB ILE A 27 0.282 4.641 -2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.392 2.664 -1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.012 3.052 -0.986 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.968 4.180 -1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.035 4.603 -3.651 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.197 2.905 -3.144 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.182 0.641 -1.350 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.308 1.280 -2.085 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.093 0.886 -3.110 1.00 0.00 H new ATOM 410 N GLU A 28 -0.846 4.139 -6.428 1.00 0.00 N ATOM 411 CA GLU A 28 -1.173 5.182 -7.383 1.00 0.00 C ATOM 412 C GLU A 28 -2.562 5.731 -7.127 1.00 0.00 C ATOM 413 O GLU A 28 -3.507 4.975 -6.914 1.00 0.00 O ATOM 414 CB GLU A 28 -1.086 4.666 -8.818 1.00 0.00 C ATOM 415 CG GLU A 28 0.333 4.471 -9.308 1.00 0.00 C ATOM 416 CD GLU A 28 0.393 4.071 -10.764 1.00 0.00 C ATOM 417 OE1 GLU A 28 -0.262 4.733 -11.595 1.00 0.00 O ATOM 418 OE2 GLU A 28 1.111 3.103 -11.088 1.00 0.00 O ATOM 0 H GLU A 28 -1.299 3.243 -6.606 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.443 5.981 -7.253 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.619 3.717 -8.887 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.596 5.367 -9.479 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.893 5.395 -9.165 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.821 3.706 -8.704 1.00 0.00 H new ATOM 425 N ASN A 29 -2.680 7.044 -7.136 1.00 0.00 N ATOM 426 CA ASN A 29 -3.977 7.685 -7.043 1.00 0.00 C ATOM 427 C ASN A 29 -4.528 7.894 -8.442 1.00 0.00 C ATOM 428 O ASN A 29 -4.241 8.894 -9.095 1.00 0.00 O ATOM 429 CB ASN A 29 -3.874 9.019 -6.300 1.00 0.00 C ATOM 430 CG ASN A 29 -5.182 9.785 -6.269 1.00 0.00 C ATOM 431 OD1 ASN A 29 -6.266 9.203 -6.310 1.00 0.00 O ATOM 432 ND2 ASN A 29 -5.083 11.100 -6.186 1.00 0.00 N ATOM 0 H ASN A 29 -1.893 7.689 -7.207 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.654 7.044 -6.478 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.544 8.834 -5.278 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.110 9.635 -6.775 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.926 11.674 -6.153 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.164 11.541 -6.154 1.00 0.00 H new ATOM 439 N GLN A 30 -5.295 6.926 -8.909 1.00 0.00 N ATOM 440 CA GLN A 30 -5.820 6.955 -10.261 1.00 0.00 C ATOM 441 C GLN A 30 -7.144 7.706 -10.294 1.00 0.00 C ATOM 442 O GLN A 30 -8.153 7.212 -10.794 1.00 0.00 O ATOM 443 CB GLN A 30 -5.976 5.530 -10.797 1.00 0.00 C ATOM 444 CG GLN A 30 -4.664 4.759 -10.820 1.00 0.00 C ATOM 445 CD GLN A 30 -4.759 3.433 -11.549 1.00 0.00 C ATOM 446 OE1 GLN A 30 -5.811 2.795 -11.583 1.00 0.00 O ATOM 447 NE2 GLN A 30 -3.653 3.013 -12.141 1.00 0.00 N ATOM 0 H GLN A 30 -5.569 6.106 -8.368 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.118 7.483 -10.906 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.697 4.992 -10.181 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.386 5.570 -11.806 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.899 5.373 -11.295 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.338 4.580 -9.795 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.802 3.573 -12.088 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.651 2.129 -12.650 1.00 0.00 H new ATOM 456 N GLY A 31 -7.112 8.917 -9.763 1.00 0.00 N ATOM 457 CA GLY A 31 -8.281 9.763 -9.723 1.00 0.00 C ATOM 458 C GLY A 31 -7.899 11.208 -9.929 1.00 0.00 C ATOM 459 O GLY A 31 -6.736 11.574 -9.736 1.00 0.00 O ATOM 0 H GLY A 31 -6.277 9.335 -9.351 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.986 9.454 -10.495 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.787 9.648 -8.764 1.00 0.00 H new ATOM 463 N ASN A 32 -8.858 12.034 -10.309 1.00 0.00 N ATOM 464 CA ASN A 32 -8.562 13.406 -10.707 1.00 0.00 C ATOM 465 C ASN A 32 -8.489 14.344 -9.506 1.00 0.00 C ATOM 466 O ASN A 32 -8.225 15.535 -9.659 1.00 0.00 O ATOM 467 CB ASN A 32 -9.595 13.910 -11.721 1.00 0.00 C ATOM 468 CG ASN A 32 -10.948 14.232 -11.111 1.00 0.00 C ATOM 469 OD1 ASN A 32 -11.349 13.666 -10.092 1.00 0.00 O ATOM 470 ND2 ASN A 32 -11.667 15.144 -11.744 1.00 0.00 N ATOM 0 H ASN A 32 -9.846 11.783 -10.352 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.580 13.402 -11.179 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.205 14.803 -12.209 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.727 13.155 -12.496 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -12.589 15.402 -11.391 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.300 15.590 -12.585 1.00 0.00 H new ATOM 477 N LYS A 33 -8.713 13.816 -8.311 1.00 0.00 N ATOM 478 CA LYS A 33 -8.588 14.614 -7.100 1.00 0.00 C ATOM 479 C LYS A 33 -7.408 14.127 -6.274 1.00 0.00 C ATOM 480 O LYS A 33 -7.115 12.931 -6.246 1.00 0.00 O ATOM 481 CB LYS A 33 -9.864 14.551 -6.254 1.00 0.00 C ATOM 482 CG LYS A 33 -9.825 15.483 -5.051 1.00 0.00 C ATOM 483 CD LYS A 33 -10.935 15.185 -4.057 1.00 0.00 C ATOM 484 CE LYS A 33 -10.857 16.106 -2.848 1.00 0.00 C ATOM 485 NZ LYS A 33 -9.539 16.024 -2.158 1.00 0.00 N ATOM 0 H LYS A 33 -8.981 12.844 -8.154 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.426 15.649 -7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.720 14.807 -6.878 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.015 13.528 -5.910 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.860 15.391 -4.553 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.911 16.515 -5.390 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.903 15.302 -4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.865 14.147 -3.731 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.035 17.134 -3.165 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.649 15.847 -2.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.688 15.965 -1.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.029 15.178 -2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.978 16.872 -2.378 1.00 0.00 H new ATOM 499 N ASP A 34 -6.727 15.054 -5.618 1.00 0.00 N ATOM 500 CA ASP A 34 -5.626 14.705 -4.732 1.00 0.00 C ATOM 501 C ASP A 34 -6.186 14.127 -3.438 1.00 0.00 C ATOM 502 O ASP A 34 -7.282 14.497 -3.010 1.00 0.00 O ATOM 503 CB ASP A 34 -4.758 15.933 -4.418 1.00 0.00 C ATOM 504 CG ASP A 34 -4.323 16.689 -5.659 1.00 0.00 C ATOM 505 OD1 ASP A 34 -3.648 16.098 -6.526 1.00 0.00 O ATOM 506 OD2 ASP A 34 -4.672 17.884 -5.783 1.00 0.00 O ATOM 0 H ASP A 34 -6.917 16.054 -5.682 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.000 13.965 -5.231 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.315 16.607 -3.766 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.874 15.614 -3.866 1.00 0.00 H new ATOM 511 N SER A 35 -5.450 13.217 -2.823 1.00 0.00 N ATOM 512 CA SER A 35 -5.909 12.584 -1.597 1.00 0.00 C ATOM 513 C SER A 35 -5.093 13.065 -0.402 1.00 0.00 C ATOM 514 O SER A 35 -3.882 13.282 -0.506 1.00 0.00 O ATOM 515 CB SER A 35 -5.837 11.059 -1.722 1.00 0.00 C ATOM 516 OG SER A 35 -4.547 10.633 -2.123 1.00 0.00 O ATOM 0 H SER A 35 -4.537 12.901 -3.150 1.00 0.00 H new ATOM 0 HA SER A 35 -6.949 12.868 -1.434 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.092 10.602 -0.766 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.576 10.717 -2.446 1.00 0.00 H new ATOM 0 HG SER A 35 -4.183 11.264 -2.779 1.00 0.00 H new ATOM 522 N THR A 36 -5.770 13.245 0.721 1.00 0.00 N ATOM 523 CA THR A 36 -5.144 13.705 1.950 1.00 0.00 C ATOM 524 C THR A 36 -4.357 12.578 2.633 1.00 0.00 C ATOM 525 O THR A 36 -4.059 11.558 2.008 1.00 0.00 O ATOM 526 CB THR A 36 -6.222 14.261 2.899 1.00 0.00 C ATOM 527 OG1 THR A 36 -7.378 13.410 2.869 1.00 0.00 O ATOM 528 CG2 THR A 36 -6.617 15.673 2.501 1.00 0.00 C ATOM 0 H THR A 36 -6.772 13.076 0.806 1.00 0.00 H new ATOM 0 HA THR A 36 -4.436 14.496 1.702 1.00 0.00 H new ATOM 0 HB THR A 36 -5.812 14.288 3.909 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.061 13.765 3.475 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.379 16.044 3.186 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.742 16.322 2.546 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.013 15.667 1.486 1.00 0.00 H new ATOM 536 N SER A 37 -4.002 12.771 3.900 1.00 0.00 N ATOM 537 CA SER A 37 -3.238 11.777 4.640 1.00 0.00 C ATOM 538 C SER A 37 -4.045 10.497 4.827 1.00 0.00 C ATOM 539 O SER A 37 -5.199 10.537 5.261 1.00 0.00 O ATOM 540 CB SER A 37 -2.828 12.342 6.000 1.00 0.00 C ATOM 541 OG SER A 37 -2.173 13.592 5.854 1.00 0.00 O ATOM 0 H SER A 37 -4.233 13.609 4.435 1.00 0.00 H new ATOM 0 HA SER A 37 -2.343 11.535 4.066 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.710 12.461 6.629 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.167 11.638 6.506 1.00 0.00 H new ATOM 0 HG SER A 37 -1.638 13.587 5.033 1.00 0.00 H new ATOM 547 N PHE A 38 -3.438 9.369 4.490 1.00 0.00 N ATOM 548 CA PHE A 38 -4.098 8.080 4.627 1.00 0.00 C ATOM 549 C PHE A 38 -3.104 7.027 5.116 1.00 0.00 C ATOM 550 O PHE A 38 -1.901 7.140 4.876 1.00 0.00 O ATOM 551 CB PHE A 38 -4.736 7.660 3.294 1.00 0.00 C ATOM 552 CG PHE A 38 -3.750 7.374 2.197 1.00 0.00 C ATOM 553 CD1 PHE A 38 -3.265 8.392 1.388 1.00 0.00 C ATOM 554 CD2 PHE A 38 -3.310 6.082 1.972 1.00 0.00 C ATOM 555 CE1 PHE A 38 -2.359 8.120 0.381 1.00 0.00 C ATOM 556 CE2 PHE A 38 -2.407 5.810 0.966 1.00 0.00 C ATOM 557 CZ PHE A 38 -1.931 6.823 0.173 1.00 0.00 C ATOM 0 H PHE A 38 -2.489 9.320 4.120 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.893 8.168 5.368 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.344 6.771 3.460 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.410 8.450 2.963 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.599 9.407 1.547 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.678 5.277 2.591 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.986 8.919 -0.242 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.073 4.796 0.802 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.223 6.607 -0.613 1.00 0.00 H new ATOM 567 N ASN A 39 -3.608 6.013 5.805 1.00 0.00 N ATOM 568 CA ASN A 39 -2.752 4.999 6.417 1.00 0.00 C ATOM 569 C ASN A 39 -2.754 3.707 5.614 1.00 0.00 C ATOM 570 O ASN A 39 -3.754 3.006 5.560 1.00 0.00 O ATOM 571 CB ASN A 39 -3.224 4.690 7.840 1.00 0.00 C ATOM 572 CG ASN A 39 -3.235 5.908 8.739 1.00 0.00 C ATOM 573 OD1 ASN A 39 -2.250 6.209 9.411 1.00 0.00 O ATOM 574 ND2 ASN A 39 -4.353 6.617 8.759 1.00 0.00 N ATOM 0 H ASN A 39 -4.606 5.868 5.956 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.740 5.403 6.436 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.227 4.266 7.800 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.575 3.930 8.275 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.420 7.448 9.347 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.148 6.333 8.186 1.00 0.00 H new ATOM 581 N VAL A 40 -1.626 3.366 5.027 1.00 0.00 N ATOM 582 CA VAL A 40 -1.521 2.141 4.258 1.00 0.00 C ATOM 583 C VAL A 40 -0.887 1.051 5.114 1.00 0.00 C ATOM 584 O VAL A 40 0.207 1.219 5.657 1.00 0.00 O ATOM 585 CB VAL A 40 -0.742 2.361 2.930 1.00 0.00 C ATOM 586 CG1 VAL A 40 0.113 1.158 2.564 1.00 0.00 C ATOM 587 CG2 VAL A 40 -1.719 2.644 1.809 1.00 0.00 C ATOM 0 H VAL A 40 -0.769 3.918 5.067 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.523 1.819 3.975 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.076 3.211 3.075 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.639 1.356 1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.838 0.972 3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.524 0.282 2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.171 2.798 0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.397 1.798 1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.293 3.540 2.044 1.00 0.00 H new ATOM 597 N SER A 41 -1.609 -0.049 5.268 1.00 0.00 N ATOM 598 CA SER A 41 -1.185 -1.122 6.149 1.00 0.00 C ATOM 599 C SER A 41 -0.894 -2.392 5.363 1.00 0.00 C ATOM 600 O SER A 41 -1.582 -2.701 4.388 1.00 0.00 O ATOM 601 CB SER A 41 -2.274 -1.392 7.185 1.00 0.00 C ATOM 602 OG SER A 41 -2.708 -0.185 7.783 1.00 0.00 O ATOM 0 H SER A 41 -2.494 -0.220 4.791 1.00 0.00 H new ATOM 0 HA SER A 41 -0.267 -0.815 6.651 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.118 -1.892 6.710 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.894 -2.067 7.952 1.00 0.00 H new ATOM 0 HG SER A 41 -3.407 -0.379 8.442 1.00 0.00 H new ATOM 608 N LEU A 42 0.129 -3.118 5.788 1.00 0.00 N ATOM 609 CA LEU A 42 0.466 -4.389 5.177 1.00 0.00 C ATOM 610 C LEU A 42 -0.019 -5.531 6.060 1.00 0.00 C ATOM 611 O LEU A 42 0.495 -5.740 7.165 1.00 0.00 O ATOM 612 CB LEU A 42 1.976 -4.500 4.955 1.00 0.00 C ATOM 613 CG LEU A 42 2.427 -5.745 4.189 1.00 0.00 C ATOM 614 CD1 LEU A 42 1.845 -5.748 2.784 1.00 0.00 C ATOM 615 CD2 LEU A 42 3.945 -5.820 4.136 1.00 0.00 C ATOM 0 H LEU A 42 0.741 -2.845 6.557 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.028 -4.450 4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.314 -3.616 4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.472 -4.489 5.925 1.00 0.00 H new ATOM 0 HG LEU A 42 2.057 -6.624 4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.177 -6.641 2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.757 -5.743 2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.184 -4.862 2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.246 -6.712 3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.336 -4.935 3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.343 -5.866 5.150 1.00 0.00 H new ATOM 627 N LEU A 43 -1.022 -6.246 5.582 1.00 0.00 N ATOM 628 CA LEU A 43 -1.583 -7.360 6.323 1.00 0.00 C ATOM 629 C LEU A 43 -1.012 -8.676 5.809 1.00 0.00 C ATOM 630 O LEU A 43 -1.246 -9.055 4.666 1.00 0.00 O ATOM 631 CB LEU A 43 -3.116 -7.379 6.216 1.00 0.00 C ATOM 632 CG LEU A 43 -3.833 -6.099 6.665 1.00 0.00 C ATOM 633 CD1 LEU A 43 -3.945 -5.103 5.523 1.00 0.00 C ATOM 634 CD2 LEU A 43 -5.208 -6.430 7.224 1.00 0.00 C ATOM 0 H LEU A 43 -1.466 -6.073 4.680 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.313 -7.236 7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.386 -7.580 5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.493 -8.211 6.811 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.238 -5.637 7.453 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.457 -4.206 5.871 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.948 -4.838 5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.510 -5.549 4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.704 -5.512 7.538 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.805 -6.920 6.455 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.102 -7.096 8.080 1.00 0.00 H new ATOM 646 N VAL A 44 -0.259 -9.359 6.656 1.00 0.00 N ATOM 647 CA VAL A 44 0.324 -10.643 6.305 1.00 0.00 C ATOM 648 C VAL A 44 -0.541 -11.774 6.842 1.00 0.00 C ATOM 649 O VAL A 44 -0.578 -12.017 8.051 1.00 0.00 O ATOM 650 CB VAL A 44 1.759 -10.792 6.855 1.00 0.00 C ATOM 651 CG1 VAL A 44 2.335 -12.160 6.512 1.00 0.00 C ATOM 652 CG2 VAL A 44 2.651 -9.689 6.311 1.00 0.00 C ATOM 0 H VAL A 44 -0.036 -9.042 7.599 1.00 0.00 H new ATOM 0 HA VAL A 44 0.370 -10.693 5.217 1.00 0.00 H new ATOM 0 HB VAL A 44 1.718 -10.705 7.941 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.346 -12.239 6.911 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.710 -12.938 6.950 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.361 -12.283 5.429 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.659 -9.808 6.708 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.680 -9.748 5.223 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.255 -8.719 6.611 1.00 0.00 H new ATOM 662 N ASP A 45 -1.268 -12.421 5.937 1.00 0.00 N ATOM 663 CA ASP A 45 -2.121 -13.563 6.272 1.00 0.00 C ATOM 664 C ASP A 45 -3.176 -13.194 7.314 1.00 0.00 C ATOM 665 O ASP A 45 -3.720 -14.067 7.991 1.00 0.00 O ATOM 666 CB ASP A 45 -1.277 -14.752 6.760 1.00 0.00 C ATOM 667 CG ASP A 45 -0.580 -15.488 5.628 1.00 0.00 C ATOM 668 OD1 ASP A 45 0.407 -14.961 5.076 1.00 0.00 O ATOM 669 OD2 ASP A 45 -1.015 -16.606 5.278 1.00 0.00 O ATOM 0 H ASP A 45 -1.285 -12.170 4.948 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.643 -13.856 5.361 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.530 -14.394 7.468 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.918 -15.449 7.299 1.00 0.00 H new ATOM 674 N GLY A 46 -3.472 -11.904 7.429 1.00 0.00 N ATOM 675 CA GLY A 46 -4.507 -11.458 8.341 1.00 0.00 C ATOM 676 C GLY A 46 -4.002 -10.460 9.364 1.00 0.00 C ATOM 677 O GLY A 46 -4.729 -9.551 9.766 1.00 0.00 O ATOM 0 H GLY A 46 -3.012 -11.159 6.906 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.318 -11.006 7.769 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.925 -12.321 8.859 1.00 0.00 H new ATOM 681 N ILE A 47 -2.753 -10.617 9.781 1.00 0.00 N ATOM 682 CA ILE A 47 -2.181 -9.758 10.813 1.00 0.00 C ATOM 683 C ILE A 47 -1.488 -8.557 10.179 1.00 0.00 C ATOM 684 O ILE A 47 -0.978 -8.645 9.069 1.00 0.00 O ATOM 685 CB ILE A 47 -1.154 -10.519 11.676 1.00 0.00 C ATOM 686 CG1 ILE A 47 -1.652 -11.938 11.978 1.00 0.00 C ATOM 687 CG2 ILE A 47 -0.886 -9.767 12.973 1.00 0.00 C ATOM 688 CD1 ILE A 47 -0.650 -12.794 12.725 1.00 0.00 C ATOM 0 H ILE A 47 -2.117 -11.329 9.423 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.002 -9.426 11.448 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.221 -10.590 11.116 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.569 -11.874 12.564 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.908 -12.430 11.040 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.159 -10.318 13.570 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.492 -8.777 12.745 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.815 -9.667 13.534 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.075 -13.782 12.901 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.259 -12.891 12.132 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.412 -12.326 13.680 1.00 0.00 H new ATOM 700 N VAL A 48 -1.457 -7.447 10.888 1.00 0.00 N ATOM 701 CA VAL A 48 -0.835 -6.236 10.372 1.00 0.00 C ATOM 702 C VAL A 48 0.589 -6.121 10.897 1.00 0.00 C ATOM 703 O VAL A 48 0.808 -6.037 12.105 1.00 0.00 O ATOM 704 CB VAL A 48 -1.630 -4.973 10.765 1.00 0.00 C ATOM 705 CG1 VAL A 48 -1.014 -3.733 10.136 1.00 0.00 C ATOM 706 CG2 VAL A 48 -3.090 -5.110 10.360 1.00 0.00 C ATOM 0 H VAL A 48 -1.854 -7.354 11.823 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.827 -6.307 9.284 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.584 -4.865 11.849 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.590 -2.854 10.426 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.014 -3.623 10.480 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.025 -3.832 9.051 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.633 -4.209 10.646 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.157 -5.247 9.281 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.528 -5.972 10.863 1.00 0.00 H new ATOM 716 N VAL A 49 1.557 -6.129 9.993 1.00 0.00 N ATOM 717 CA VAL A 49 2.960 -6.081 10.390 1.00 0.00 C ATOM 718 C VAL A 49 3.514 -4.661 10.325 1.00 0.00 C ATOM 719 O VAL A 49 4.490 -4.339 11.002 1.00 0.00 O ATOM 720 CB VAL A 49 3.838 -7.010 9.523 1.00 0.00 C ATOM 721 CG1 VAL A 49 3.437 -8.462 9.720 1.00 0.00 C ATOM 722 CG2 VAL A 49 3.753 -6.625 8.052 1.00 0.00 C ATOM 0 H VAL A 49 1.401 -6.168 8.986 1.00 0.00 H new ATOM 0 HA VAL A 49 2.995 -6.430 11.422 1.00 0.00 H new ATOM 0 HB VAL A 49 4.873 -6.892 9.843 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.067 -9.101 9.101 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.562 -8.735 10.768 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.394 -8.594 9.433 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.380 -7.295 7.464 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.720 -6.705 7.714 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.098 -5.599 7.924 1.00 0.00 H new ATOM 732 N ASP A 50 2.889 -3.814 9.519 1.00 0.00 N ATOM 733 CA ASP A 50 3.353 -2.440 9.370 1.00 0.00 C ATOM 734 C ASP A 50 2.196 -1.533 8.973 1.00 0.00 C ATOM 735 O ASP A 50 1.312 -1.935 8.210 1.00 0.00 O ATOM 736 CB ASP A 50 4.465 -2.360 8.316 1.00 0.00 C ATOM 737 CG ASP A 50 5.300 -1.095 8.435 1.00 0.00 C ATOM 738 OD1 ASP A 50 4.754 0.009 8.270 1.00 0.00 O ATOM 739 OD2 ASP A 50 6.518 -1.203 8.695 1.00 0.00 O ATOM 0 H ASP A 50 2.067 -4.050 8.963 1.00 0.00 H new ATOM 0 HA ASP A 50 3.753 -2.106 10.327 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.115 -3.229 8.414 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.021 -2.404 7.322 1.00 0.00 H new ATOM 744 N THR A 51 2.197 -0.325 9.512 1.00 0.00 N ATOM 745 CA THR A 51 1.184 0.668 9.201 1.00 0.00 C ATOM 746 C THR A 51 1.848 2.009 8.915 1.00 0.00 C ATOM 747 O THR A 51 2.367 2.665 9.823 1.00 0.00 O ATOM 748 CB THR A 51 0.193 0.828 10.368 1.00 0.00 C ATOM 749 OG1 THR A 51 -0.198 -0.464 10.852 1.00 0.00 O ATOM 750 CG2 THR A 51 -1.043 1.600 9.929 1.00 0.00 C ATOM 0 H THR A 51 2.901 -0.006 10.178 1.00 0.00 H new ATOM 0 HA THR A 51 0.635 0.331 8.322 1.00 0.00 H new ATOM 0 HB THR A 51 0.687 1.386 11.163 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.827 -0.358 11.596 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.728 1.700 10.771 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.749 2.590 9.581 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.539 1.064 9.120 1.00 0.00 H new ATOM 758 N GLN A 52 1.843 2.411 7.655 1.00 0.00 N ATOM 759 CA GLN A 52 2.524 3.625 7.241 1.00 0.00 C ATOM 760 C GLN A 52 1.507 4.703 6.878 1.00 0.00 C ATOM 761 O GLN A 52 0.485 4.418 6.257 1.00 0.00 O ATOM 762 CB GLN A 52 3.456 3.309 6.065 1.00 0.00 C ATOM 763 CG GLN A 52 4.301 4.483 5.600 1.00 0.00 C ATOM 764 CD GLN A 52 3.748 5.149 4.355 1.00 0.00 C ATOM 765 OE1 GLN A 52 2.546 5.137 4.109 1.00 0.00 O ATOM 766 NE2 GLN A 52 4.627 5.735 3.560 1.00 0.00 N ATOM 0 H GLN A 52 1.373 1.912 6.899 1.00 0.00 H new ATOM 0 HA GLN A 52 3.127 4.009 8.064 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.118 2.492 6.351 1.00 0.00 H new ATOM 0 HB3 GLN A 52 2.856 2.955 5.227 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.365 5.219 6.402 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.316 4.138 5.402 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.618 5.723 3.799 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.314 6.199 2.707 1.00 0.00 H new ATOM 775 N THR A 53 1.777 5.933 7.284 1.00 0.00 N ATOM 776 CA THR A 53 0.867 7.033 7.020 1.00 0.00 C ATOM 777 C THR A 53 1.407 7.940 5.914 1.00 0.00 C ATOM 778 O THR A 53 2.397 8.650 6.104 1.00 0.00 O ATOM 779 CB THR A 53 0.632 7.868 8.290 1.00 0.00 C ATOM 780 OG1 THR A 53 0.317 7.002 9.391 1.00 0.00 O ATOM 781 CG2 THR A 53 -0.502 8.864 8.082 1.00 0.00 C ATOM 0 H THR A 53 2.619 6.194 7.797 1.00 0.00 H new ATOM 0 HA THR A 53 -0.079 6.600 6.695 1.00 0.00 H new ATOM 0 HB THR A 53 1.545 8.422 8.510 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.656 6.927 9.480 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.650 9.443 8.994 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.250 9.536 7.262 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.419 8.326 7.841 1.00 0.00 H new ATOM 789 N VAL A 54 0.756 7.906 4.761 1.00 0.00 N ATOM 790 CA VAL A 54 1.125 8.769 3.651 1.00 0.00 C ATOM 791 C VAL A 54 0.593 10.175 3.900 1.00 0.00 C ATOM 792 O VAL A 54 -0.585 10.351 4.205 1.00 0.00 O ATOM 793 CB VAL A 54 0.569 8.251 2.307 1.00 0.00 C ATOM 794 CG1 VAL A 54 1.044 9.121 1.152 1.00 0.00 C ATOM 795 CG2 VAL A 54 0.960 6.798 2.079 1.00 0.00 C ATOM 0 H VAL A 54 -0.033 7.288 4.570 1.00 0.00 H new ATOM 0 HA VAL A 54 2.213 8.776 3.587 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.519 8.307 2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.639 8.736 0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.700 10.144 1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.133 9.106 1.109 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.556 6.458 1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.046 6.712 2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.558 6.182 2.884 1.00 0.00 H new ATOM 805 N THR A 55 1.471 11.162 3.784 1.00 0.00 N ATOM 806 CA THR A 55 1.112 12.552 4.036 1.00 0.00 C ATOM 807 C THR A 55 0.002 13.027 3.095 1.00 0.00 C ATOM 808 O THR A 55 -0.939 13.692 3.523 1.00 0.00 O ATOM 809 CB THR A 55 2.345 13.460 3.878 1.00 0.00 C ATOM 810 OG1 THR A 55 3.453 12.893 4.594 1.00 0.00 O ATOM 811 CG2 THR A 55 2.063 14.863 4.397 1.00 0.00 C ATOM 0 H THR A 55 2.445 11.024 3.515 1.00 0.00 H new ATOM 0 HA THR A 55 0.742 12.613 5.059 1.00 0.00 H new ATOM 0 HB THR A 55 2.587 13.531 2.817 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.238 13.470 4.492 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.951 15.482 4.273 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.236 15.299 3.837 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.800 14.814 5.454 1.00 0.00 H new ATOM 819 N SER A 56 0.113 12.660 1.825 1.00 0.00 N ATOM 820 CA SER A 56 -0.849 13.076 0.813 1.00 0.00 C ATOM 821 C SER A 56 -0.429 12.535 -0.547 1.00 0.00 C ATOM 822 O SER A 56 0.727 12.679 -0.947 1.00 0.00 O ATOM 823 CB SER A 56 -0.946 14.609 0.766 1.00 0.00 C ATOM 824 OG SER A 56 -1.954 15.044 -0.131 1.00 0.00 O ATOM 0 H SER A 56 0.866 12.071 1.469 1.00 0.00 H new ATOM 0 HA SER A 56 -1.829 12.675 1.070 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.158 14.991 1.765 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.015 15.025 0.463 1.00 0.00 H new ATOM 0 HG SER A 56 -2.633 14.344 -0.224 1.00 0.00 H new ATOM 830 N LEU A 57 -1.356 11.899 -1.243 1.00 0.00 N ATOM 831 CA LEU A 57 -1.076 11.366 -2.565 1.00 0.00 C ATOM 832 C LEU A 57 -1.791 12.196 -3.625 1.00 0.00 C ATOM 833 O LEU A 57 -3.020 12.280 -3.647 1.00 0.00 O ATOM 834 CB LEU A 57 -1.492 9.893 -2.643 1.00 0.00 C ATOM 835 CG LEU A 57 -1.307 9.220 -4.006 1.00 0.00 C ATOM 836 CD1 LEU A 57 0.096 9.448 -4.541 1.00 0.00 C ATOM 837 CD2 LEU A 57 -1.590 7.731 -3.896 1.00 0.00 C ATOM 0 H LEU A 57 -2.308 11.739 -0.915 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.004 11.423 -2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.921 9.334 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.542 9.816 -2.360 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.014 9.667 -4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.200 8.959 -5.510 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.273 10.518 -4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.823 9.031 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.456 7.262 -4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.902 7.282 -3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.615 7.579 -3.559 1.00 0.00 H new ATOM 849 N GLU A 58 -1.007 12.818 -4.492 1.00 0.00 N ATOM 850 CA GLU A 58 -1.539 13.715 -5.506 1.00 0.00 C ATOM 851 C GLU A 58 -2.250 12.946 -6.615 1.00 0.00 C ATOM 852 O GLU A 58 -2.072 11.735 -6.768 1.00 0.00 O ATOM 853 CB GLU A 58 -0.415 14.562 -6.098 1.00 0.00 C ATOM 854 CG GLU A 58 0.283 15.440 -5.074 1.00 0.00 C ATOM 855 CD GLU A 58 1.453 16.194 -5.663 1.00 0.00 C ATOM 856 OE1 GLU A 58 2.522 15.580 -5.853 1.00 0.00 O ATOM 857 OE2 GLU A 58 1.313 17.403 -5.937 1.00 0.00 O ATOM 0 H GLU A 58 0.008 12.717 -4.513 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.270 14.366 -5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.320 13.904 -6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.823 15.192 -6.888 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.433 16.151 -4.661 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.632 14.822 -4.247 1.00 0.00 H new ATOM 864 N SER A 59 -3.064 13.663 -7.367 1.00 0.00 N ATOM 865 CA SER A 59 -3.809 13.096 -8.478 1.00 0.00 C ATOM 866 C SER A 59 -2.872 12.537 -9.549 1.00 0.00 C ATOM 867 O SER A 59 -1.989 13.239 -10.047 1.00 0.00 O ATOM 868 CB SER A 59 -4.735 14.164 -9.064 1.00 0.00 C ATOM 869 OG SER A 59 -4.098 15.436 -9.089 1.00 0.00 O ATOM 0 H SER A 59 -3.228 14.660 -7.225 1.00 0.00 H new ATOM 0 HA SER A 59 -4.409 12.263 -8.111 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.028 13.881 -10.075 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.648 14.223 -8.472 1.00 0.00 H new ATOM 0 HG SER A 59 -4.168 15.854 -8.206 1.00 0.00 H new ATOM 875 N GLU A 60 -3.065 11.259 -9.865 1.00 0.00 N ATOM 876 CA GLU A 60 -2.281 10.557 -10.881 1.00 0.00 C ATOM 877 C GLU A 60 -0.795 10.519 -10.527 1.00 0.00 C ATOM 878 O GLU A 60 0.062 10.441 -11.404 1.00 0.00 O ATOM 879 CB GLU A 60 -2.500 11.175 -12.265 1.00 0.00 C ATOM 880 CG GLU A 60 -3.921 10.998 -12.775 1.00 0.00 C ATOM 881 CD GLU A 60 -4.088 11.424 -14.217 1.00 0.00 C ATOM 882 OE1 GLU A 60 -3.734 10.634 -15.120 1.00 0.00 O ATOM 883 OE2 GLU A 60 -4.593 12.541 -14.459 1.00 0.00 O ATOM 0 H GLU A 60 -3.775 10.676 -9.421 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.633 9.526 -10.908 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.264 12.238 -12.224 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.806 10.722 -12.973 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.209 9.952 -12.675 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.601 11.577 -12.150 1.00 0.00 H new ATOM 890 N ASN A 61 -0.496 10.543 -9.235 1.00 0.00 N ATOM 891 CA ASN A 61 0.877 10.393 -8.771 1.00 0.00 C ATOM 892 C ASN A 61 1.032 9.028 -8.104 1.00 0.00 C ATOM 893 O ASN A 61 0.046 8.437 -7.653 1.00 0.00 O ATOM 894 CB ASN A 61 1.245 11.514 -7.786 1.00 0.00 C ATOM 895 CG ASN A 61 2.748 11.746 -7.677 1.00 0.00 C ATOM 896 OD1 ASN A 61 3.557 10.849 -7.922 1.00 0.00 O ATOM 897 ND2 ASN A 61 3.134 12.953 -7.295 1.00 0.00 N ATOM 0 H ASN A 61 -1.183 10.665 -8.491 1.00 0.00 H new ATOM 0 HA ASN A 61 1.552 10.462 -9.624 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.763 12.439 -8.101 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.849 11.268 -6.801 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.127 13.163 -7.196 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.438 13.673 -7.100 1.00 0.00 H new ATOM 904 N SER A 62 2.255 8.530 -8.054 1.00 0.00 N ATOM 905 CA SER A 62 2.540 7.251 -7.433 1.00 0.00 C ATOM 906 C SER A 62 3.407 7.440 -6.192 1.00 0.00 C ATOM 907 O SER A 62 4.462 8.076 -6.252 1.00 0.00 O ATOM 908 CB SER A 62 3.243 6.332 -8.436 1.00 0.00 C ATOM 909 OG SER A 62 4.376 6.967 -9.010 1.00 0.00 O ATOM 0 H SER A 62 3.074 8.999 -8.441 1.00 0.00 H new ATOM 0 HA SER A 62 1.600 6.792 -7.128 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.552 5.414 -7.937 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.545 6.047 -9.223 1.00 0.00 H new ATOM 0 HG SER A 62 4.839 7.493 -8.324 1.00 0.00 H new ATOM 915 N THR A 63 2.953 6.915 -5.067 1.00 0.00 N ATOM 916 CA THR A 63 3.730 6.964 -3.841 1.00 0.00 C ATOM 917 C THR A 63 4.169 5.562 -3.442 1.00 0.00 C ATOM 918 O THR A 63 3.362 4.631 -3.405 1.00 0.00 O ATOM 919 CB THR A 63 2.936 7.618 -2.686 1.00 0.00 C ATOM 920 OG1 THR A 63 2.677 8.993 -2.993 1.00 0.00 O ATOM 921 CG2 THR A 63 3.695 7.533 -1.368 1.00 0.00 C ATOM 0 H THR A 63 2.050 6.450 -4.977 1.00 0.00 H new ATOM 0 HA THR A 63 4.609 7.579 -4.032 1.00 0.00 H new ATOM 0 HB THR A 63 1.997 7.074 -2.578 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.105 9.381 -2.298 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.108 8.002 -0.579 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.871 6.487 -1.116 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.650 8.049 -1.464 1.00 0.00 H new ATOM 929 N ASN A 64 5.456 5.412 -3.175 1.00 0.00 N ATOM 930 CA ASN A 64 5.999 4.140 -2.739 1.00 0.00 C ATOM 931 C ASN A 64 5.955 4.057 -1.223 1.00 0.00 C ATOM 932 O ASN A 64 6.402 4.970 -0.529 1.00 0.00 O ATOM 933 CB ASN A 64 7.436 3.957 -3.236 1.00 0.00 C ATOM 934 CG ASN A 64 7.520 3.762 -4.740 1.00 0.00 C ATOM 935 OD1 ASN A 64 6.604 3.223 -5.369 1.00 0.00 O ATOM 936 ND2 ASN A 64 8.626 4.191 -5.327 1.00 0.00 N ATOM 0 H ASN A 64 6.145 6.160 -3.254 1.00 0.00 H new ATOM 0 HA ASN A 64 5.391 3.341 -3.163 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.027 4.829 -2.954 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.881 3.096 -2.737 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.744 4.081 -6.334 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.360 4.631 -4.772 1.00 0.00 H new ATOM 943 N VAL A 65 5.400 2.972 -0.714 1.00 0.00 N ATOM 944 CA VAL A 65 5.258 2.793 0.720 1.00 0.00 C ATOM 945 C VAL A 65 6.407 1.967 1.274 1.00 0.00 C ATOM 946 O VAL A 65 6.654 0.847 0.824 1.00 0.00 O ATOM 947 CB VAL A 65 3.923 2.108 1.070 1.00 0.00 C ATOM 948 CG1 VAL A 65 3.742 2.014 2.577 1.00 0.00 C ATOM 949 CG2 VAL A 65 2.760 2.849 0.433 1.00 0.00 C ATOM 0 H VAL A 65 5.039 2.199 -1.274 1.00 0.00 H new ATOM 0 HA VAL A 65 5.272 3.784 1.174 1.00 0.00 H new ATOM 0 HB VAL A 65 3.944 1.095 0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.793 1.527 2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.558 1.432 3.006 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.746 3.016 3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.826 2.351 0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.737 3.875 0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.881 2.854 -0.650 1.00 0.00 H new ATOM 959 N ASP A 66 7.107 2.539 2.244 1.00 0.00 N ATOM 960 CA ASP A 66 8.255 1.886 2.858 1.00 0.00 C ATOM 961 C ASP A 66 7.804 0.975 3.998 1.00 0.00 C ATOM 962 O ASP A 66 7.550 1.435 5.110 1.00 0.00 O ATOM 963 CB ASP A 66 9.234 2.952 3.377 1.00 0.00 C ATOM 964 CG ASP A 66 10.457 2.363 4.057 1.00 0.00 C ATOM 965 OD1 ASP A 66 11.161 1.550 3.428 1.00 0.00 O ATOM 966 OD2 ASP A 66 10.723 2.723 5.226 1.00 0.00 O ATOM 0 H ASP A 66 6.897 3.462 2.625 1.00 0.00 H new ATOM 0 HA ASP A 66 8.758 1.272 2.112 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.556 3.577 2.544 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.713 3.602 4.080 1.00 0.00 H new ATOM 971 N PHE A 67 7.678 -0.313 3.699 1.00 0.00 N ATOM 972 CA PHE A 67 7.252 -1.293 4.694 1.00 0.00 C ATOM 973 C PHE A 67 8.447 -1.939 5.375 1.00 0.00 C ATOM 974 O PHE A 67 9.467 -2.217 4.739 1.00 0.00 O ATOM 975 CB PHE A 67 6.381 -2.378 4.063 1.00 0.00 C ATOM 976 CG PHE A 67 4.963 -1.957 3.809 1.00 0.00 C ATOM 977 CD1 PHE A 67 4.214 -1.356 4.811 1.00 0.00 C ATOM 978 CD2 PHE A 67 4.372 -2.175 2.576 1.00 0.00 C ATOM 979 CE1 PHE A 67 2.905 -0.979 4.585 1.00 0.00 C ATOM 980 CE2 PHE A 67 3.062 -1.805 2.346 1.00 0.00 C ATOM 981 CZ PHE A 67 2.329 -1.207 3.352 1.00 0.00 C ATOM 0 H PHE A 67 7.865 -0.704 2.776 1.00 0.00 H new ATOM 0 HA PHE A 67 6.665 -0.757 5.440 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.831 -2.687 3.120 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.378 -3.251 4.716 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.660 -1.181 5.779 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.942 -2.640 1.785 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.334 -0.507 5.371 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.611 -1.983 1.381 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.304 -0.917 3.174 1.00 0.00 H new ATOM 991 N HIS A 68 8.313 -2.181 6.669 1.00 0.00 N ATOM 992 CA HIS A 68 9.371 -2.805 7.449 1.00 0.00 C ATOM 993 C HIS A 68 8.871 -4.127 8.010 1.00 0.00 C ATOM 994 O HIS A 68 8.202 -4.159 9.045 1.00 0.00 O ATOM 995 CB HIS A 68 9.807 -1.890 8.599 1.00 0.00 C ATOM 996 CG HIS A 68 9.825 -0.441 8.235 1.00 0.00 C ATOM 997 ND1 HIS A 68 8.723 0.369 8.368 1.00 0.00 N ATOM 998 CD2 HIS A 68 10.798 0.334 7.714 1.00 0.00 C ATOM 999 CE1 HIS A 68 9.016 1.578 7.941 1.00 0.00 C ATOM 1000 NE2 HIS A 68 10.271 1.589 7.532 1.00 0.00 N ATOM 0 H HIS A 68 7.476 -1.953 7.205 1.00 0.00 H new ATOM 0 HA HIS A 68 10.229 -2.979 6.800 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.134 -2.036 9.444 1.00 0.00 H new ATOM 0 HB3 HIS A 68 10.803 -2.185 8.930 1.00 0.00 H new ATOM 0 HD1 HIS A 68 7.819 0.078 8.740 1.00 0.00 H new ATOM 0 HD2 HIS A 68 11.806 0.024 7.482 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.342 2.422 7.927 1.00 0.00 H new ATOM 1009 N TRP A 69 9.180 -5.210 7.323 1.00 0.00 N ATOM 1010 CA TRP A 69 8.681 -6.518 7.706 1.00 0.00 C ATOM 1011 C TRP A 69 9.826 -7.422 8.143 1.00 0.00 C ATOM 1012 O TRP A 69 10.698 -7.776 7.351 1.00 0.00 O ATOM 1013 CB TRP A 69 7.887 -7.138 6.545 1.00 0.00 C ATOM 1014 CG TRP A 69 7.539 -8.588 6.734 1.00 0.00 C ATOM 1015 CD1 TRP A 69 7.333 -9.246 7.913 1.00 0.00 C ATOM 1016 CD2 TRP A 69 7.344 -9.553 5.698 1.00 0.00 C ATOM 1017 NE1 TRP A 69 7.056 -10.570 7.672 1.00 0.00 N ATOM 1018 CE2 TRP A 69 7.050 -10.781 6.318 1.00 0.00 C ATOM 1019 CE3 TRP A 69 7.401 -9.499 4.303 1.00 0.00 C ATOM 1020 CZ2 TRP A 69 6.813 -11.944 5.587 1.00 0.00 C ATOM 1021 CZ3 TRP A 69 7.160 -10.651 3.581 1.00 0.00 C ATOM 1022 CH2 TRP A 69 6.872 -11.859 4.223 1.00 0.00 C ATOM 0 H TRP A 69 9.776 -5.210 6.495 1.00 0.00 H new ATOM 0 HA TRP A 69 8.008 -6.407 8.556 1.00 0.00 H new ATOM 0 HB2 TRP A 69 6.966 -6.571 6.407 1.00 0.00 H new ATOM 0 HB3 TRP A 69 8.466 -7.033 5.628 1.00 0.00 H new ATOM 0 HD1 TRP A 69 7.381 -8.792 8.892 1.00 0.00 H new ATOM 0 HE1 TRP A 69 6.883 -11.280 8.384 1.00 0.00 H new ATOM 0 HE3 TRP A 69 7.630 -8.572 3.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.591 -12.879 6.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 7.195 -10.618 2.502 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.692 -12.743 3.630 1.00 0.00 H new ATOM 1033 N THR A 70 9.823 -7.766 9.418 1.00 0.00 N ATOM 1034 CA THR A 70 10.803 -8.679 9.969 1.00 0.00 C ATOM 1035 C THR A 70 10.432 -10.117 9.622 1.00 0.00 C ATOM 1036 O THR A 70 9.521 -10.685 10.228 1.00 0.00 O ATOM 1037 CB THR A 70 10.881 -8.539 11.501 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.904 -7.152 11.867 1.00 0.00 O ATOM 1039 CG2 THR A 70 12.119 -9.233 12.051 1.00 0.00 C ATOM 0 H THR A 70 9.144 -7.421 10.096 1.00 0.00 H new ATOM 0 HA THR A 70 11.773 -8.432 9.538 1.00 0.00 H new ATOM 0 HB THR A 70 9.999 -9.015 11.929 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.952 -7.072 12.843 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.149 -9.119 13.135 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.084 -10.293 11.799 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.012 -8.785 11.614 1.00 0.00 H new ATOM 1047 N LEU A 71 11.109 -10.690 8.634 1.00 0.00 N ATOM 1048 CA LEU A 71 10.848 -12.067 8.243 1.00 0.00 C ATOM 1049 C LEU A 71 11.124 -13.008 9.403 1.00 0.00 C ATOM 1050 O LEU A 71 12.265 -13.156 9.845 1.00 0.00 O ATOM 1051 CB LEU A 71 11.688 -12.467 7.033 1.00 0.00 C ATOM 1052 CG LEU A 71 10.890 -12.755 5.761 1.00 0.00 C ATOM 1053 CD1 LEU A 71 9.853 -13.830 6.003 1.00 0.00 C ATOM 1054 CD2 LEU A 71 10.238 -11.491 5.243 1.00 0.00 C ATOM 0 H LEU A 71 11.838 -10.225 8.093 1.00 0.00 H new ATOM 0 HA LEU A 71 9.796 -12.142 7.966 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.401 -11.669 6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.268 -13.354 7.289 1.00 0.00 H new ATOM 0 HG LEU A 71 11.583 -13.120 5.003 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.300 -14.015 5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.348 -14.748 6.320 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.164 -13.502 6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.675 -11.717 4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.563 -11.093 6.001 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.006 -10.751 5.017 1.00 0.00 H new ATOM 1066 N ASP A 72 10.069 -13.635 9.892 1.00 0.00 N ATOM 1067 CA ASP A 72 10.157 -14.490 11.069 1.00 0.00 C ATOM 1068 C ASP A 72 10.725 -15.859 10.711 1.00 0.00 C ATOM 1069 O ASP A 72 11.438 -16.474 11.507 1.00 0.00 O ATOM 1070 CB ASP A 72 8.774 -14.641 11.709 1.00 0.00 C ATOM 1071 CG ASP A 72 8.807 -15.424 13.005 1.00 0.00 C ATOM 1072 OD1 ASP A 72 9.191 -14.845 14.046 1.00 0.00 O ATOM 1073 OD2 ASP A 72 8.431 -16.617 12.995 1.00 0.00 O ATOM 0 H ASP A 72 9.134 -13.569 9.491 1.00 0.00 H new ATOM 0 HA ASP A 72 10.833 -14.021 11.784 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.357 -13.652 11.898 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.106 -15.139 11.006 1.00 0.00 H new ATOM 1078 N GLY A 73 10.424 -16.321 9.508 1.00 0.00 N ATOM 1079 CA GLY A 73 10.892 -17.621 9.078 1.00 0.00 C ATOM 1080 C GLY A 73 10.854 -17.769 7.573 1.00 0.00 C ATOM 1081 O GLY A 73 11.081 -16.807 6.844 1.00 0.00 O ATOM 0 H GLY A 73 9.863 -15.818 8.820 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.912 -17.774 9.431 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.277 -18.397 9.534 1.00 0.00 H new ATOM 1085 N THR A 74 10.580 -18.975 7.107 1.00 0.00 N ATOM 1086 CA THR A 74 10.498 -19.246 5.685 1.00 0.00 C ATOM 1087 C THR A 74 9.283 -20.120 5.376 1.00 0.00 C ATOM 1088 O THR A 74 9.381 -21.344 5.306 1.00 0.00 O ATOM 1089 CB THR A 74 11.788 -19.930 5.183 1.00 0.00 C ATOM 1090 OG1 THR A 74 12.931 -19.167 5.601 1.00 0.00 O ATOM 1091 CG2 THR A 74 11.793 -20.058 3.666 1.00 0.00 C ATOM 0 H THR A 74 10.409 -19.787 7.700 1.00 0.00 H new ATOM 0 HA THR A 74 10.387 -18.295 5.164 1.00 0.00 H new ATOM 0 HB THR A 74 11.829 -20.932 5.611 1.00 0.00 H new ATOM 0 HG1 THR A 74 13.749 -19.603 5.283 1.00 0.00 H new ATOM 0 HG21 THR A 74 12.715 -20.544 3.345 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.938 -20.655 3.348 1.00 0.00 H new ATOM 0 HG23 THR A 74 11.730 -19.067 3.217 1.00 0.00 H new ATOM 1099 N ALA A 75 8.128 -19.480 5.233 1.00 0.00 N ATOM 1100 CA ALA A 75 6.891 -20.189 4.904 1.00 0.00 C ATOM 1101 C ALA A 75 6.728 -20.351 3.399 1.00 0.00 C ATOM 1102 O ALA A 75 5.718 -20.884 2.940 1.00 0.00 O ATOM 1103 CB ALA A 75 5.686 -19.456 5.470 1.00 0.00 C ATOM 0 H ALA A 75 8.019 -18.471 5.339 1.00 0.00 H new ATOM 0 HA ALA A 75 6.954 -21.180 5.354 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.776 -19.999 5.214 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.777 -19.390 6.554 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.640 -18.452 5.048 1.00 0.00 H new ATOM 1109 N ASN A 76 7.714 -19.867 2.647 1.00 0.00 N ATOM 1110 CA ASN A 76 7.712 -19.925 1.179 1.00 0.00 C ATOM 1111 C ASN A 76 6.735 -18.930 0.564 1.00 0.00 C ATOM 1112 O ASN A 76 7.104 -18.168 -0.322 1.00 0.00 O ATOM 1113 CB ASN A 76 7.429 -21.339 0.657 1.00 0.00 C ATOM 1114 CG ASN A 76 8.610 -22.273 0.838 1.00 0.00 C ATOM 1115 OD1 ASN A 76 8.717 -22.978 1.845 1.00 0.00 O ATOM 1116 ND2 ASN A 76 9.512 -22.271 -0.130 1.00 0.00 N ATOM 0 H ASN A 76 8.544 -19.420 3.037 1.00 0.00 H new ATOM 0 HA ASN A 76 8.718 -19.645 0.867 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.563 -21.748 1.178 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.170 -21.287 -0.400 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.336 -22.869 -0.061 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.384 -21.672 -0.946 1.00 0.00 H new ATOM 1123 N SER A 77 5.502 -18.931 1.031 1.00 0.00 N ATOM 1124 CA SER A 77 4.497 -18.022 0.504 1.00 0.00 C ATOM 1125 C SER A 77 3.737 -17.313 1.620 1.00 0.00 C ATOM 1126 O SER A 77 3.171 -17.953 2.507 1.00 0.00 O ATOM 1127 CB SER A 77 3.529 -18.772 -0.413 1.00 0.00 C ATOM 1128 OG SER A 77 3.038 -19.960 0.194 1.00 0.00 O ATOM 0 H SER A 77 5.170 -19.548 1.772 1.00 0.00 H new ATOM 0 HA SER A 77 5.014 -17.258 -0.077 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.692 -18.122 -0.668 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.033 -19.023 -1.346 1.00 0.00 H new ATOM 0 HG SER A 77 2.799 -19.776 1.126 1.00 0.00 H new ATOM 1134 N TYR A 78 3.742 -15.989 1.572 1.00 0.00 N ATOM 1135 CA TYR A 78 3.023 -15.176 2.544 1.00 0.00 C ATOM 1136 C TYR A 78 1.939 -14.364 1.847 1.00 0.00 C ATOM 1137 O TYR A 78 2.130 -13.911 0.716 1.00 0.00 O ATOM 1138 CB TYR A 78 3.984 -14.232 3.269 1.00 0.00 C ATOM 1139 CG TYR A 78 4.984 -14.928 4.162 1.00 0.00 C ATOM 1140 CD1 TYR A 78 6.149 -15.478 3.643 1.00 0.00 C ATOM 1141 CD2 TYR A 78 4.764 -15.026 5.529 1.00 0.00 C ATOM 1142 CE1 TYR A 78 7.063 -16.110 4.461 1.00 0.00 C ATOM 1143 CE2 TYR A 78 5.675 -15.654 6.354 1.00 0.00 C ATOM 1144 CZ TYR A 78 6.822 -16.195 5.817 1.00 0.00 C ATOM 1145 OH TYR A 78 7.732 -16.827 6.635 1.00 0.00 O ATOM 0 H TYR A 78 4.241 -15.450 0.864 1.00 0.00 H new ATOM 0 HA TYR A 78 2.563 -15.841 3.275 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.524 -13.643 2.528 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.403 -13.532 3.870 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.343 -15.410 2.583 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.865 -14.604 5.954 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.963 -16.536 4.042 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.489 -15.721 7.416 1.00 0.00 H new ATOM 0 HH TYR A 78 7.414 -16.799 7.561 1.00 0.00 H new ATOM 1155 N THR A 79 0.814 -14.177 2.519 1.00 0.00 N ATOM 1156 CA THR A 79 -0.294 -13.430 1.949 1.00 0.00 C ATOM 1157 C THR A 79 -0.227 -11.976 2.392 1.00 0.00 C ATOM 1158 O THR A 79 -0.768 -11.607 3.432 1.00 0.00 O ATOM 1159 CB THR A 79 -1.659 -14.029 2.357 1.00 0.00 C ATOM 1160 OG1 THR A 79 -1.689 -15.433 2.058 1.00 0.00 O ATOM 1161 CG2 THR A 79 -2.804 -13.336 1.630 1.00 0.00 C ATOM 0 H THR A 79 0.645 -14.533 3.460 1.00 0.00 H new ATOM 0 HA THR A 79 -0.206 -13.492 0.864 1.00 0.00 H new ATOM 0 HB THR A 79 -1.784 -13.876 3.429 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.557 -15.805 2.321 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.751 -13.779 1.937 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.803 -12.274 1.877 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.679 -13.458 0.554 1.00 0.00 H new ATOM 1169 N LEU A 80 0.457 -11.160 1.613 1.00 0.00 N ATOM 1170 CA LEU A 80 0.626 -9.761 1.952 1.00 0.00 C ATOM 1171 C LEU A 80 -0.441 -8.919 1.280 1.00 0.00 C ATOM 1172 O LEU A 80 -0.531 -8.860 0.055 1.00 0.00 O ATOM 1173 CB LEU A 80 2.022 -9.271 1.572 1.00 0.00 C ATOM 1174 CG LEU A 80 3.090 -9.447 2.655 1.00 0.00 C ATOM 1175 CD1 LEU A 80 3.253 -10.909 3.041 1.00 0.00 C ATOM 1176 CD2 LEU A 80 4.413 -8.873 2.187 1.00 0.00 C ATOM 0 H LEU A 80 0.905 -11.442 0.741 1.00 0.00 H new ATOM 0 HA LEU A 80 0.517 -9.657 3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.345 -9.801 0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.961 -8.214 1.312 1.00 0.00 H new ATOM 0 HG LEU A 80 2.762 -8.903 3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.019 -10.999 3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.307 -11.292 3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.551 -11.486 2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.163 -9.005 2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.735 -9.390 1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.294 -7.811 1.974 1.00 0.00 H new ATOM 1188 N THR A 81 -1.256 -8.286 2.093 1.00 0.00 N ATOM 1189 CA THR A 81 -2.360 -7.496 1.598 1.00 0.00 C ATOM 1190 C THR A 81 -2.146 -6.025 1.921 1.00 0.00 C ATOM 1191 O THR A 81 -2.029 -5.648 3.085 1.00 0.00 O ATOM 1192 CB THR A 81 -3.687 -7.975 2.213 1.00 0.00 C ATOM 1193 OG1 THR A 81 -3.789 -9.398 2.086 1.00 0.00 O ATOM 1194 CG2 THR A 81 -4.877 -7.312 1.533 1.00 0.00 C ATOM 0 H THR A 81 -1.173 -8.304 3.109 1.00 0.00 H new ATOM 0 HA THR A 81 -2.408 -7.620 0.516 1.00 0.00 H new ATOM 0 HB THR A 81 -3.698 -7.697 3.267 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.634 -9.702 2.480 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.801 -7.669 1.988 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.808 -6.231 1.652 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.875 -7.561 0.472 1.00 0.00 H new ATOM 1202 N VAL A 82 -2.068 -5.205 0.889 1.00 0.00 N ATOM 1203 CA VAL A 82 -1.947 -3.771 1.075 1.00 0.00 C ATOM 1204 C VAL A 82 -3.331 -3.140 1.116 1.00 0.00 C ATOM 1205 O VAL A 82 -3.982 -2.979 0.083 1.00 0.00 O ATOM 1206 CB VAL A 82 -1.108 -3.110 -0.043 1.00 0.00 C ATOM 1207 CG1 VAL A 82 -0.949 -1.619 0.209 1.00 0.00 C ATOM 1208 CG2 VAL A 82 0.256 -3.777 -0.161 1.00 0.00 C ATOM 0 H VAL A 82 -2.086 -5.507 -0.085 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.431 -3.604 2.020 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.639 -3.244 -0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.355 -1.176 -0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.931 -1.148 0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.446 -1.463 1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.829 -3.296 -0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.791 -3.680 0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.125 -4.833 -0.398 1.00 0.00 H new ATOM 1218 N ASN A 83 -3.800 -2.831 2.314 1.00 0.00 N ATOM 1219 CA ASN A 83 -5.086 -2.172 2.469 1.00 0.00 C ATOM 1220 C ASN A 83 -4.872 -0.676 2.640 1.00 0.00 C ATOM 1221 O ASN A 83 -4.227 -0.235 3.595 1.00 0.00 O ATOM 1222 CB ASN A 83 -5.853 -2.740 3.666 1.00 0.00 C ATOM 1223 CG ASN A 83 -7.280 -2.224 3.743 1.00 0.00 C ATOM 1224 OD1 ASN A 83 -7.548 -1.185 4.341 1.00 0.00 O ATOM 1225 ND2 ASN A 83 -8.207 -2.955 3.139 1.00 0.00 N ATOM 0 H ASN A 83 -3.312 -3.025 3.189 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.682 -2.353 1.574 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.867 -3.828 3.601 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.327 -2.482 4.585 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.183 -2.660 3.161 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.944 -3.812 2.653 1.00 0.00 H new ATOM 1232 N VAL A 84 -5.382 0.095 1.697 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.193 1.532 1.714 1.00 0.00 C ATOM 1234 C VAL A 84 -6.208 2.213 2.628 1.00 0.00 C ATOM 1235 O VAL A 84 -7.392 2.317 2.305 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.261 2.121 0.293 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -5.167 3.636 0.329 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -4.150 1.541 -0.570 1.00 0.00 C ATOM 0 H VAL A 84 -5.930 -0.251 0.910 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.197 1.725 2.112 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.223 1.852 -0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.217 4.028 -0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.994 4.038 0.914 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.222 3.931 0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.209 1.965 -1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.183 1.783 -0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.261 0.458 -0.627 1.00 0.00 H new ATOM 1248 N ASP A 85 -5.704 2.645 3.778 1.00 0.00 N ATOM 1249 CA ASP A 85 -6.476 3.334 4.815 1.00 0.00 C ATOM 1250 C ASP A 85 -7.696 2.531 5.239 1.00 0.00 C ATOM 1251 O ASP A 85 -8.771 2.658 4.656 1.00 0.00 O ATOM 1252 CB ASP A 85 -6.884 4.741 4.382 1.00 0.00 C ATOM 1253 CG ASP A 85 -7.222 5.621 5.573 1.00 0.00 C ATOM 1254 OD1 ASP A 85 -6.292 5.993 6.323 1.00 0.00 O ATOM 1255 OD2 ASP A 85 -8.410 5.932 5.772 1.00 0.00 O ATOM 0 H ASP A 85 -4.722 2.524 4.025 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.818 3.428 5.679 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.073 5.196 3.812 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.746 4.681 3.718 1.00 0.00 H new ATOM 1260 N PRO A 86 -7.530 1.683 6.265 1.00 0.00 N ATOM 1261 CA PRO A 86 -8.612 0.844 6.793 1.00 0.00 C ATOM 1262 C PRO A 86 -9.804 1.675 7.263 1.00 0.00 C ATOM 1263 O PRO A 86 -10.953 1.233 7.193 1.00 0.00 O ATOM 1264 CB PRO A 86 -7.960 0.113 7.972 1.00 0.00 C ATOM 1265 CG PRO A 86 -6.499 0.157 7.684 1.00 0.00 C ATOM 1266 CD PRO A 86 -6.263 1.459 6.979 1.00 0.00 C ATOM 0 HA PRO A 86 -9.015 0.170 6.037 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.192 0.602 8.918 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.318 -0.914 8.048 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -5.917 0.099 8.604 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -6.197 -0.685 7.062 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.047 2.265 7.681 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.418 1.399 6.293 1.00 0.00 H new ATOM 1274 N GLU A 87 -9.518 2.890 7.725 1.00 0.00 N ATOM 1275 CA GLU A 87 -10.560 3.817 8.157 1.00 0.00 C ATOM 1276 C GLU A 87 -11.338 4.329 6.951 1.00 0.00 C ATOM 1277 O GLU A 87 -12.501 4.718 7.066 1.00 0.00 O ATOM 1278 CB GLU A 87 -9.940 4.998 8.904 1.00 0.00 C ATOM 1279 CG GLU A 87 -9.110 4.598 10.111 1.00 0.00 C ATOM 1280 CD GLU A 87 -8.494 5.793 10.807 1.00 0.00 C ATOM 1281 OE1 GLU A 87 -9.181 6.419 11.638 1.00 0.00 O ATOM 1282 OE2 GLU A 87 -7.322 6.117 10.518 1.00 0.00 O ATOM 0 H GLU A 87 -8.570 3.256 7.810 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.240 3.288 8.825 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.312 5.561 8.214 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.736 5.668 9.229 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.738 4.053 10.816 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.320 3.917 9.796 1.00 0.00 H new ATOM 1289 N ASN A 88 -10.671 4.314 5.801 1.00 0.00 N ATOM 1290 CA ASN A 88 -11.224 4.811 4.545 1.00 0.00 C ATOM 1291 C ASN A 88 -11.659 6.263 4.706 1.00 0.00 C ATOM 1292 O ASN A 88 -12.739 6.666 4.267 1.00 0.00 O ATOM 1293 CB ASN A 88 -12.392 3.938 4.074 1.00 0.00 C ATOM 1294 CG ASN A 88 -12.601 4.016 2.572 1.00 0.00 C ATOM 1295 OD1 ASN A 88 -13.731 3.948 2.088 1.00 0.00 O ATOM 1296 ND2 ASN A 88 -11.510 4.131 1.823 1.00 0.00 N ATOM 0 H ASN A 88 -9.721 3.953 5.714 1.00 0.00 H new ATOM 0 HA ASN A 88 -10.448 4.762 3.781 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -12.207 2.902 4.359 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.304 4.251 4.582 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.590 4.166 0.807 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.592 4.184 2.264 1.00 0.00 H new ATOM 1303 N ALA A 89 -10.791 7.046 5.339 1.00 0.00 N ATOM 1304 CA ALA A 89 -11.051 8.458 5.583 1.00 0.00 C ATOM 1305 C ALA A 89 -11.120 9.220 4.269 1.00 0.00 C ATOM 1306 O ALA A 89 -11.861 10.198 4.137 1.00 0.00 O ATOM 1307 CB ALA A 89 -9.972 9.042 6.483 1.00 0.00 C ATOM 0 H ALA A 89 -9.892 6.720 5.695 1.00 0.00 H new ATOM 0 HA ALA A 89 -12.013 8.555 6.086 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.177 10.098 6.658 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.965 8.511 7.435 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.000 8.936 6.001 1.00 0.00 H new ATOM 1313 N VAL A 90 -10.347 8.761 3.300 1.00 0.00 N ATOM 1314 CA VAL A 90 -10.383 9.326 1.966 1.00 0.00 C ATOM 1315 C VAL A 90 -11.470 8.636 1.154 1.00 0.00 C ATOM 1316 O VAL A 90 -11.492 7.410 1.052 1.00 0.00 O ATOM 1317 CB VAL A 90 -9.026 9.179 1.245 1.00 0.00 C ATOM 1318 CG1 VAL A 90 -9.071 9.833 -0.129 1.00 0.00 C ATOM 1319 CG2 VAL A 90 -7.903 9.775 2.083 1.00 0.00 C ATOM 0 H VAL A 90 -9.684 7.994 3.415 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.598 10.391 2.057 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.827 8.116 1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.104 9.717 -0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.843 9.357 -0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.298 10.894 -0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.956 9.661 1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.098 10.834 2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.850 9.258 3.041 1.00 0.00 H new ATOM 1329 N ASN A 91 -12.393 9.418 0.620 1.00 0.00 N ATOM 1330 CA ASN A 91 -13.465 8.874 -0.200 1.00 0.00 C ATOM 1331 C ASN A 91 -12.944 8.562 -1.590 1.00 0.00 C ATOM 1332 O ASN A 91 -12.279 9.391 -2.211 1.00 0.00 O ATOM 1333 CB ASN A 91 -14.647 9.844 -0.273 1.00 0.00 C ATOM 1334 CG ASN A 91 -15.378 9.970 1.052 1.00 0.00 C ATOM 1335 OD1 ASN A 91 -14.783 9.837 2.124 1.00 0.00 O ATOM 1336 ND2 ASN A 91 -16.675 10.213 0.993 1.00 0.00 N ATOM 0 H ASN A 91 -12.423 10.431 0.739 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.819 7.952 0.261 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -14.288 10.826 -0.581 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -15.345 9.505 -1.038 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -17.218 10.297 1.853 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -17.134 10.317 0.088 1.00 0.00 H new ATOM 1343 N GLU A 92 -13.233 7.363 -2.067 1.00 0.00 N ATOM 1344 CA GLU A 92 -12.670 6.889 -3.320 1.00 0.00 C ATOM 1345 C GLU A 92 -13.755 6.471 -4.304 1.00 0.00 C ATOM 1346 O GLU A 92 -14.908 6.264 -3.923 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.740 5.708 -3.057 1.00 0.00 C ATOM 1348 CG GLU A 92 -10.607 6.026 -2.100 1.00 0.00 C ATOM 1349 CD GLU A 92 -9.723 4.830 -1.853 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -9.072 4.378 -2.816 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -9.688 4.337 -0.703 1.00 0.00 O ATOM 0 H GLU A 92 -13.855 6.699 -1.605 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.111 7.713 -3.763 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.323 4.880 -2.653 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.320 5.370 -4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.008 6.842 -2.505 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.019 6.374 -1.153 1.00 0.00 H new ATOM 1358 N GLY A 93 -13.366 6.398 -5.572 1.00 0.00 N ATOM 1359 CA GLY A 93 -14.219 5.857 -6.621 1.00 0.00 C ATOM 1360 C GLY A 93 -14.647 4.424 -6.343 1.00 0.00 C ATOM 1361 O GLY A 93 -15.600 4.177 -5.599 1.00 0.00 O ATOM 0 H GLY A 93 -12.453 6.712 -5.900 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.105 6.484 -6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.689 5.896 -7.572 1.00 0.00 H new ATOM 1365 N ASN A 94 -13.976 3.486 -6.997 1.00 0.00 N ATOM 1366 CA ASN A 94 -14.215 2.057 -6.783 1.00 0.00 C ATOM 1367 C ASN A 94 -13.991 1.710 -5.306 1.00 0.00 C ATOM 1368 O ASN A 94 -13.298 2.436 -4.598 1.00 0.00 O ATOM 1369 CB ASN A 94 -13.267 1.246 -7.676 1.00 0.00 C ATOM 1370 CG ASN A 94 -13.543 -0.249 -7.681 1.00 0.00 C ATOM 1371 OD1 ASN A 94 -12.623 -1.058 -7.779 1.00 0.00 O ATOM 1372 ND2 ASN A 94 -14.808 -0.632 -7.619 1.00 0.00 N ATOM 0 H ASN A 94 -13.254 3.688 -7.688 1.00 0.00 H new ATOM 0 HA ASN A 94 -15.245 1.812 -7.044 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -13.338 1.621 -8.697 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -12.242 1.414 -7.346 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -15.043 -1.624 -7.652 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -15.548 0.065 -7.538 1.00 0.00 H new ATOM 1379 N GLU A 95 -14.598 0.632 -4.830 1.00 0.00 N ATOM 1380 CA GLU A 95 -14.424 0.227 -3.437 1.00 0.00 C ATOM 1381 C GLU A 95 -13.450 -0.941 -3.326 1.00 0.00 C ATOM 1382 O GLU A 95 -12.815 -1.143 -2.294 1.00 0.00 O ATOM 1383 CB GLU A 95 -15.767 -0.162 -2.822 1.00 0.00 C ATOM 1384 CG GLU A 95 -16.832 0.913 -2.951 1.00 0.00 C ATOM 1385 CD GLU A 95 -18.131 0.524 -2.280 1.00 0.00 C ATOM 1386 OE1 GLU A 95 -18.597 -0.616 -2.487 1.00 0.00 O ATOM 1387 OE2 GLU A 95 -18.688 1.357 -1.531 1.00 0.00 O ATOM 0 H GLU A 95 -15.209 0.026 -5.378 1.00 0.00 H new ATOM 0 HA GLU A 95 -14.013 1.076 -2.891 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -16.125 -1.074 -3.299 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -15.620 -0.391 -1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -16.463 1.840 -2.512 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -17.017 1.112 -4.007 1.00 0.00 H new ATOM 1394 N SER A 96 -13.333 -1.705 -4.400 1.00 0.00 N ATOM 1395 CA SER A 96 -12.481 -2.884 -4.418 1.00 0.00 C ATOM 1396 C SER A 96 -11.135 -2.577 -5.078 1.00 0.00 C ATOM 1397 O SER A 96 -10.423 -3.476 -5.529 1.00 0.00 O ATOM 1398 CB SER A 96 -13.209 -4.010 -5.153 1.00 0.00 C ATOM 1399 OG SER A 96 -13.827 -3.528 -6.337 1.00 0.00 O ATOM 0 H SER A 96 -13.822 -1.528 -5.278 1.00 0.00 H new ATOM 0 HA SER A 96 -12.274 -3.197 -3.395 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.503 -4.802 -5.403 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.962 -4.449 -4.498 1.00 0.00 H new ATOM 0 HG SER A 96 -13.290 -2.800 -6.713 1.00 0.00 H new ATOM 1405 N ASN A 97 -10.787 -1.300 -5.107 1.00 0.00 N ATOM 1406 CA ASN A 97 -9.560 -0.837 -5.748 1.00 0.00 C ATOM 1407 C ASN A 97 -8.434 -0.679 -4.730 1.00 0.00 C ATOM 1408 O ASN A 97 -7.268 -0.935 -5.034 1.00 0.00 O ATOM 1409 CB ASN A 97 -9.799 0.515 -6.435 1.00 0.00 C ATOM 1410 CG ASN A 97 -10.202 1.597 -5.445 1.00 0.00 C ATOM 1411 OD1 ASN A 97 -10.848 1.314 -4.436 1.00 0.00 O ATOM 1412 ND2 ASN A 97 -9.826 2.833 -5.716 1.00 0.00 N ATOM 0 H ASN A 97 -11.344 -0.555 -4.689 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.270 -1.585 -6.486 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -8.892 0.821 -6.957 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -10.579 0.405 -7.189 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.070 3.592 -5.079 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.291 3.030 -6.562 1.00 0.00 H new ATOM 1419 N ASN A 98 -8.804 -0.286 -3.516 1.00 0.00 N ATOM 1420 CA ASN A 98 -7.839 0.127 -2.502 1.00 0.00 C ATOM 1421 C ASN A 98 -7.257 -1.066 -1.748 1.00 0.00 C ATOM 1422 O ASN A 98 -6.558 -0.905 -0.746 1.00 0.00 O ATOM 1423 CB ASN A 98 -8.499 1.104 -1.520 1.00 0.00 C ATOM 1424 CG ASN A 98 -9.415 0.425 -0.515 1.00 0.00 C ATOM 1425 OD1 ASN A 98 -10.029 -0.608 -0.800 1.00 0.00 O ATOM 1426 ND2 ASN A 98 -9.507 1.000 0.673 1.00 0.00 N ATOM 0 H ASN A 98 -9.775 -0.245 -3.208 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.014 0.624 -3.012 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -7.722 1.647 -0.983 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -9.072 1.841 -2.083 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -10.102 0.590 1.393 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -8.983 1.853 0.869 1.00 0.00 H new ATOM 1433 N THR A 99 -7.535 -2.263 -2.231 1.00 0.00 N ATOM 1434 CA THR A 99 -6.999 -3.463 -1.620 1.00 0.00 C ATOM 1435 C THR A 99 -6.101 -4.201 -2.607 1.00 0.00 C ATOM 1436 O THR A 99 -6.333 -4.167 -3.817 1.00 0.00 O ATOM 1437 CB THR A 99 -8.121 -4.403 -1.159 1.00 0.00 C ATOM 1438 OG1 THR A 99 -9.235 -3.632 -0.680 1.00 0.00 O ATOM 1439 CG2 THR A 99 -7.637 -5.329 -0.051 1.00 0.00 C ATOM 0 H THR A 99 -8.128 -2.429 -3.044 1.00 0.00 H new ATOM 0 HA THR A 99 -6.419 -3.159 -0.749 1.00 0.00 H new ATOM 0 HB THR A 99 -8.428 -5.009 -2.011 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.950 -4.236 -0.388 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.452 -5.984 0.257 1.00 0.00 H new ATOM 0 HG22 THR A 99 -6.806 -5.931 -0.417 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.307 -4.735 0.801 1.00 0.00 H new ATOM 1447 N LEU A 100 -5.081 -4.852 -2.086 1.00 0.00 N ATOM 1448 CA LEU A 100 -4.141 -5.602 -2.907 1.00 0.00 C ATOM 1449 C LEU A 100 -3.678 -6.847 -2.171 1.00 0.00 C ATOM 1450 O LEU A 100 -2.805 -6.782 -1.305 1.00 0.00 O ATOM 1451 CB LEU A 100 -2.927 -4.746 -3.279 1.00 0.00 C ATOM 1452 CG LEU A 100 -1.856 -5.468 -4.101 1.00 0.00 C ATOM 1453 CD1 LEU A 100 -2.366 -5.785 -5.498 1.00 0.00 C ATOM 1454 CD2 LEU A 100 -0.587 -4.639 -4.168 1.00 0.00 C ATOM 0 H LEU A 100 -4.877 -4.879 -1.087 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.655 -5.891 -3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.271 -3.878 -3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.470 -4.372 -2.363 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.625 -6.411 -3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.587 -6.298 -6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.245 -6.426 -5.428 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.633 -4.859 -6.007 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.163 -5.168 -4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.804 -3.679 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.207 -4.474 -3.160 1.00 0.00 H new ATOM 1466 N THR A 101 -4.286 -7.968 -2.498 1.00 0.00 N ATOM 1467 CA THR A 101 -3.908 -9.242 -1.916 1.00 0.00 C ATOM 1468 C THR A 101 -2.875 -9.925 -2.803 1.00 0.00 C ATOM 1469 O THR A 101 -3.204 -10.433 -3.876 1.00 0.00 O ATOM 1470 CB THR A 101 -5.137 -10.157 -1.757 1.00 0.00 C ATOM 1471 OG1 THR A 101 -6.229 -9.406 -1.207 1.00 0.00 O ATOM 1472 CG2 THR A 101 -4.825 -11.340 -0.854 1.00 0.00 C ATOM 0 H THR A 101 -5.051 -8.024 -3.170 1.00 0.00 H new ATOM 0 HA THR A 101 -3.482 -9.058 -0.930 1.00 0.00 H new ATOM 0 HB THR A 101 -5.409 -10.539 -2.741 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.010 -9.989 -1.108 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.710 -11.969 -0.759 1.00 0.00 H new ATOM 0 HG22 THR A 101 -4.011 -11.922 -1.285 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.530 -10.978 0.131 1.00 0.00 H new ATOM 1480 N ALA A 102 -1.622 -9.906 -2.378 1.00 0.00 N ATOM 1481 CA ALA A 102 -0.548 -10.467 -3.178 1.00 0.00 C ATOM 1482 C ALA A 102 0.264 -11.478 -2.384 1.00 0.00 C ATOM 1483 O ALA A 102 0.562 -11.272 -1.209 1.00 0.00 O ATOM 1484 CB ALA A 102 0.352 -9.357 -3.699 1.00 0.00 C ATOM 0 H ALA A 102 -1.325 -9.509 -1.486 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.995 -10.989 -4.024 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.154 -9.789 -4.298 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.233 -8.674 -4.315 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.781 -8.811 -2.858 1.00 0.00 H new ATOM 1490 N LEU A 103 0.609 -12.578 -3.027 1.00 0.00 N ATOM 1491 CA LEU A 103 1.461 -13.575 -2.413 1.00 0.00 C ATOM 1492 C LEU A 103 2.912 -13.267 -2.707 1.00 0.00 C ATOM 1493 O LEU A 103 3.309 -13.127 -3.865 1.00 0.00 O ATOM 1494 CB LEU A 103 1.126 -14.980 -2.912 1.00 0.00 C ATOM 1495 CG LEU A 103 -0.209 -15.540 -2.432 1.00 0.00 C ATOM 1496 CD1 LEU A 103 -0.446 -16.914 -3.030 1.00 0.00 C ATOM 1497 CD2 LEU A 103 -0.244 -15.616 -0.917 1.00 0.00 C ATOM 0 H LEU A 103 0.311 -12.802 -3.976 1.00 0.00 H new ATOM 0 HA LEU A 103 1.288 -13.544 -1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.127 -14.971 -4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.920 -15.658 -2.599 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.002 -14.869 -2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.402 -17.303 -2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.461 -16.840 -4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.354 -17.587 -2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.205 -16.018 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.557 -16.267 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.110 -14.618 -0.499 1.00 0.00 H new ATOM 1509 N VAL A 104 3.697 -13.152 -1.663 1.00 0.00 N ATOM 1510 CA VAL A 104 5.121 -12.939 -1.815 1.00 0.00 C ATOM 1511 C VAL A 104 5.864 -14.200 -1.407 1.00 0.00 C ATOM 1512 O VAL A 104 5.463 -14.889 -0.463 1.00 0.00 O ATOM 1513 CB VAL A 104 5.627 -11.725 -1.001 1.00 0.00 C ATOM 1514 CG1 VAL A 104 4.901 -10.459 -1.427 1.00 0.00 C ATOM 1515 CG2 VAL A 104 5.465 -11.951 0.493 1.00 0.00 C ATOM 0 H VAL A 104 3.376 -13.202 -0.696 1.00 0.00 H new ATOM 0 HA VAL A 104 5.316 -12.715 -2.864 1.00 0.00 H new ATOM 0 HB VAL A 104 6.691 -11.607 -1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.269 -9.615 -0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.081 -10.275 -2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.831 -10.578 -1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 104 5.830 -11.079 1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.412 -12.107 0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.037 -12.830 0.792 1.00 0.00 H new ATOM 1525 N GLY A 105 6.919 -14.520 -2.131 1.00 0.00 N ATOM 1526 CA GLY A 105 7.634 -15.742 -1.871 1.00 0.00 C ATOM 1527 C GLY A 105 8.906 -15.493 -1.113 1.00 0.00 C ATOM 1528 O GLY A 105 9.341 -14.353 -0.981 1.00 0.00 O ATOM 0 H GLY A 105 7.292 -13.955 -2.894 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.999 -16.421 -1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.864 -16.236 -2.815 1.00 0.00 H new ATOM 1532 N THR A 106 9.496 -16.545 -0.591 1.00 0.00 N ATOM 1533 CA THR A 106 10.795 -16.439 0.030 1.00 0.00 C ATOM 1534 C THR A 106 11.872 -16.722 -1.003 1.00 0.00 C ATOM 1535 O THR A 106 11.696 -17.588 -1.860 1.00 0.00 O ATOM 1536 CB THR A 106 10.933 -17.396 1.219 1.00 0.00 C ATOM 1537 OG1 THR A 106 10.534 -18.720 0.841 1.00 0.00 O ATOM 1538 CG2 THR A 106 10.089 -16.923 2.394 1.00 0.00 C ATOM 0 H THR A 106 9.096 -17.483 -0.585 1.00 0.00 H new ATOM 0 HA THR A 106 10.910 -15.425 0.413 1.00 0.00 H new ATOM 0 HB THR A 106 11.980 -17.409 1.522 1.00 0.00 H new ATOM 0 HG1 THR A 106 11.227 -19.359 1.108 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.203 -17.617 3.226 1.00 0.00 H new ATOM 0 HG22 THR A 106 10.418 -15.931 2.702 1.00 0.00 H new ATOM 0 HG23 THR A 106 9.041 -16.882 2.096 1.00 0.00 H new ATOM 1546 N LEU A 107 12.963 -15.971 -0.938 1.00 0.00 N ATOM 1547 CA LEU A 107 14.006 -16.052 -1.950 1.00 0.00 C ATOM 1548 C LEU A 107 14.555 -17.470 -2.061 1.00 0.00 C ATOM 1549 O LEU A 107 14.863 -18.110 -1.054 1.00 0.00 O ATOM 1550 CB LEU A 107 15.141 -15.077 -1.641 1.00 0.00 C ATOM 1551 CG LEU A 107 15.941 -14.623 -2.866 1.00 0.00 C ATOM 1552 CD1 LEU A 107 15.155 -13.596 -3.665 1.00 0.00 C ATOM 1553 CD2 LEU A 107 17.297 -14.071 -2.452 1.00 0.00 C ATOM 0 H LEU A 107 13.148 -15.298 -0.194 1.00 0.00 H new ATOM 0 HA LEU A 107 13.558 -15.778 -2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 107 14.724 -14.198 -1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 107 15.823 -15.546 -0.931 1.00 0.00 H new ATOM 0 HG LEU A 107 16.114 -15.490 -3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 107 15.739 -13.285 -4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 107 14.216 -14.036 -3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 107 14.946 -12.729 -3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 107 17.847 -13.755 -3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 107 17.155 -13.217 -1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 107 17.861 -14.845 -1.931 1.00 0.00 H new ATOM 1565 N GLU A 108 14.668 -17.934 -3.300 1.00 0.00 N ATOM 1566 CA GLU A 108 15.157 -19.274 -3.610 1.00 0.00 C ATOM 1567 C GLU A 108 16.487 -19.572 -2.923 1.00 0.00 C ATOM 1568 O GLU A 108 16.730 -20.692 -2.470 1.00 0.00 O ATOM 1569 CB GLU A 108 15.335 -19.404 -5.121 1.00 0.00 C ATOM 1570 CG GLU A 108 14.031 -19.449 -5.898 1.00 0.00 C ATOM 1571 CD GLU A 108 13.378 -20.813 -5.846 1.00 0.00 C ATOM 1572 OE1 GLU A 108 13.956 -21.769 -6.407 1.00 0.00 O ATOM 1573 OE2 GLU A 108 12.279 -20.936 -5.272 1.00 0.00 O ATOM 0 H GLU A 108 14.421 -17.387 -4.125 1.00 0.00 H new ATOM 0 HA GLU A 108 14.423 -19.991 -3.242 1.00 0.00 H new ATOM 0 HB2 GLU A 108 15.930 -18.564 -5.479 1.00 0.00 H new ATOM 0 HB3 GLU A 108 15.903 -20.310 -5.332 1.00 0.00 H new ATOM 0 HG2 GLU A 108 13.345 -18.704 -5.495 1.00 0.00 H new ATOM 0 HG3 GLU A 108 14.220 -19.179 -6.937 1.00 0.00 H new ATOM 1580 N HIS A 109 17.351 -18.573 -2.852 1.00 0.00 N ATOM 1581 CA HIS A 109 18.684 -18.777 -2.320 1.00 0.00 C ATOM 1582 C HIS A 109 18.841 -18.213 -0.918 1.00 0.00 C ATOM 1583 O HIS A 109 19.094 -17.022 -0.735 1.00 0.00 O ATOM 1584 CB HIS A 109 19.737 -18.176 -3.252 1.00 0.00 C ATOM 1585 CG HIS A 109 19.973 -18.999 -4.477 1.00 0.00 C ATOM 1586 ND1 HIS A 109 19.291 -18.810 -5.657 1.00 0.00 N ATOM 1587 CD2 HIS A 109 20.814 -20.036 -4.692 1.00 0.00 C ATOM 1588 CE1 HIS A 109 19.698 -19.698 -6.545 1.00 0.00 C ATOM 1589 NE2 HIS A 109 20.621 -20.453 -5.983 1.00 0.00 N ATOM 0 H HIS A 109 17.153 -17.619 -3.154 1.00 0.00 H new ATOM 0 HA HIS A 109 18.836 -19.854 -2.256 1.00 0.00 H new ATOM 0 HB2 HIS A 109 19.423 -17.175 -3.549 1.00 0.00 H new ATOM 0 HB3 HIS A 109 20.675 -18.067 -2.708 1.00 0.00 H new ATOM 0 HD2 HIS A 109 21.508 -20.457 -3.979 1.00 0.00 H new ATOM 0 HE1 HIS A 109 19.337 -19.790 -7.559 1.00 0.00 H new ATOM 0 HE2 HIS A 109 21.112 -21.223 -6.436 1.00 0.00 H new ATOM 1598 N HIS A 110 18.643 -19.079 0.069 1.00 0.00 N ATOM 1599 CA HIS A 110 19.095 -18.805 1.426 1.00 0.00 C ATOM 1600 C HIS A 110 20.603 -18.581 1.348 1.00 0.00 C ATOM 1601 O HIS A 110 21.280 -19.340 0.653 1.00 0.00 O ATOM 1602 CB HIS A 110 18.754 -19.998 2.337 1.00 0.00 C ATOM 1603 CG HIS A 110 18.959 -19.763 3.808 1.00 0.00 C ATOM 1604 ND1 HIS A 110 17.931 -19.435 4.671 1.00 0.00 N ATOM 1605 CD2 HIS A 110 20.071 -19.854 4.577 1.00 0.00 C ATOM 1606 CE1 HIS A 110 18.403 -19.335 5.900 1.00 0.00 C ATOM 1607 NE2 HIS A 110 19.696 -19.583 5.869 1.00 0.00 N ATOM 0 H HIS A 110 18.172 -19.977 -0.046 1.00 0.00 H new ATOM 0 HA HIS A 110 18.605 -17.927 1.847 1.00 0.00 H new ATOM 0 HB2 HIS A 110 17.713 -20.274 2.172 1.00 0.00 H new ATOM 0 HB3 HIS A 110 19.362 -20.851 2.034 1.00 0.00 H new ATOM 0 HD2 HIS A 110 21.067 -20.095 4.236 1.00 0.00 H new ATOM 0 HE1 HIS A 110 17.827 -19.091 6.780 1.00 0.00 H new ATOM 0 HE2 HIS A 110 20.319 -19.575 6.676 1.00 0.00 H new ATOM 1616 N HIS A 111 21.114 -17.556 2.037 1.00 0.00 N ATOM 1617 CA HIS A 111 22.490 -17.072 1.824 1.00 0.00 C ATOM 1618 C HIS A 111 23.483 -18.229 1.723 1.00 0.00 C ATOM 1619 O HIS A 111 24.281 -18.291 0.793 1.00 0.00 O ATOM 1620 CB HIS A 111 22.907 -16.106 2.933 1.00 0.00 C ATOM 1621 CG HIS A 111 23.802 -15.009 2.446 1.00 0.00 C ATOM 1622 ND1 HIS A 111 25.148 -14.950 2.723 1.00 0.00 N ATOM 1623 CD2 HIS A 111 23.527 -13.919 1.693 1.00 0.00 C ATOM 1624 CE1 HIS A 111 25.663 -13.872 2.161 1.00 0.00 C ATOM 1625 NE2 HIS A 111 24.700 -13.230 1.529 1.00 0.00 N ATOM 0 H HIS A 111 20.597 -17.041 2.750 1.00 0.00 H new ATOM 0 HA HIS A 111 22.503 -16.536 0.875 1.00 0.00 H new ATOM 0 HB2 HIS A 111 22.015 -15.668 3.380 1.00 0.00 H new ATOM 0 HB3 HIS A 111 23.418 -16.662 3.719 1.00 0.00 H new ATOM 0 HD2 HIS A 111 22.562 -13.643 1.295 1.00 0.00 H new ATOM 0 HE1 HIS A 111 26.698 -13.567 2.211 1.00 0.00 H new ATOM 0 HE2 HIS A 111 24.810 -12.362 1.004 1.00 0.00 H new ATOM 1634 N HIS A 112 23.431 -19.138 2.680 1.00 0.00 N ATOM 1635 CA HIS A 112 24.122 -20.412 2.557 1.00 0.00 C ATOM 1636 C HIS A 112 23.105 -21.542 2.501 1.00 0.00 C ATOM 1637 O HIS A 112 22.466 -21.866 3.504 1.00 0.00 O ATOM 1638 CB HIS A 112 25.102 -20.629 3.710 1.00 0.00 C ATOM 1639 CG HIS A 112 26.463 -20.061 3.455 1.00 0.00 C ATOM 1640 ND1 HIS A 112 27.539 -20.284 4.283 1.00 0.00 N ATOM 1641 CD2 HIS A 112 26.925 -19.288 2.445 1.00 0.00 C ATOM 1642 CE1 HIS A 112 28.601 -19.671 3.796 1.00 0.00 C ATOM 1643 NE2 HIS A 112 28.257 -19.060 2.679 1.00 0.00 N ATOM 0 H HIS A 112 22.917 -19.019 3.553 1.00 0.00 H new ATOM 0 HA HIS A 112 24.701 -20.402 1.633 1.00 0.00 H new ATOM 0 HB2 HIS A 112 24.693 -20.177 4.614 1.00 0.00 H new ATOM 0 HB3 HIS A 112 25.194 -21.698 3.901 1.00 0.00 H new ATOM 0 HD2 HIS A 112 26.350 -18.919 1.608 1.00 0.00 H new ATOM 0 HE1 HIS A 112 29.586 -19.670 4.238 1.00 0.00 H new ATOM 0 HE2 HIS A 112 28.879 -18.509 2.087 1.00 0.00 H new ATOM 1652 N HIS A 113 22.932 -22.116 1.322 1.00 0.00 N ATOM 1653 CA HIS A 113 21.951 -23.175 1.126 1.00 0.00 C ATOM 1654 C HIS A 113 22.644 -24.522 0.954 1.00 0.00 C ATOM 1655 O HIS A 113 23.667 -24.618 0.281 1.00 0.00 O ATOM 1656 CB HIS A 113 21.079 -22.868 -0.098 1.00 0.00 C ATOM 1657 CG HIS A 113 19.991 -23.875 -0.347 1.00 0.00 C ATOM 1658 ND1 HIS A 113 20.125 -24.928 -1.226 1.00 0.00 N ATOM 1659 CD2 HIS A 113 18.744 -23.980 0.169 1.00 0.00 C ATOM 1660 CE1 HIS A 113 19.011 -25.634 -1.240 1.00 0.00 C ATOM 1661 NE2 HIS A 113 18.158 -25.080 -0.401 1.00 0.00 N ATOM 0 H HIS A 113 23.458 -21.867 0.484 1.00 0.00 H new ATOM 0 HA HIS A 113 21.314 -23.225 2.009 1.00 0.00 H new ATOM 0 HB2 HIS A 113 20.626 -21.885 0.030 1.00 0.00 H new ATOM 0 HB3 HIS A 113 21.717 -22.813 -0.980 1.00 0.00 H new ATOM 0 HD2 HIS A 113 18.294 -23.319 0.895 1.00 0.00 H new ATOM 0 HE1 HIS A 113 18.829 -26.515 -1.837 1.00 0.00 H new ATOM 0 HE2 HIS A 113 17.215 -25.416 -0.207 1.00 0.00 H new ATOM 1670 N HIS A 114 22.093 -25.547 1.584 1.00 0.00 N ATOM 1671 CA HIS A 114 22.607 -26.899 1.435 1.00 0.00 C ATOM 1672 C HIS A 114 22.023 -27.540 0.183 1.00 0.00 C ATOM 1673 O HIS A 114 22.714 -27.556 -0.852 1.00 0.00 O ATOM 1674 CB HIS A 114 22.272 -27.747 2.666 1.00 0.00 C ATOM 1675 CG HIS A 114 22.764 -29.163 2.578 1.00 0.00 C ATOM 1676 ND1 HIS A 114 21.965 -30.219 2.187 1.00 0.00 N ATOM 1677 CD2 HIS A 114 23.981 -29.695 2.837 1.00 0.00 C ATOM 1678 CE1 HIS A 114 22.670 -31.333 2.209 1.00 0.00 C ATOM 1679 NE2 HIS A 114 23.896 -31.044 2.602 1.00 0.00 N ATOM 1680 OXT HIS A 114 20.866 -28.004 0.242 1.00 0.00 O ATOM 0 H HIS A 114 21.288 -25.468 2.205 1.00 0.00 H new ATOM 0 HA HIS A 114 23.692 -26.848 1.340 1.00 0.00 H new ATOM 0 HB2 HIS A 114 22.704 -27.276 3.549 1.00 0.00 H new ATOM 0 HB3 HIS A 114 21.191 -27.756 2.807 1.00 0.00 H new ATOM 0 HD2 HIS A 114 24.857 -29.157 3.168 1.00 0.00 H new ATOM 0 HE1 HIS A 114 22.306 -32.316 1.949 1.00 0.00 H new ATOM 0 HE2 HIS A 114 24.657 -31.714 2.713 1.00 0.00 H new TER 1689 HIS A 114