USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 883 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 7 ASN : amide:sc= -3.27! C(o=-2.7!,f=-9.6!) USER MOD Set 1.2: A 113 THR OG1 : rot -11:sc= 0.579 USER MOD Set 2.1: A 42 THR OG1 : rot -170:sc= -1.75 USER MOD Set 2.2: A 47 SER OG : rot -139:sc= -2.1! USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0382 (180deg=-0.329) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.278 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0.00344 K(o=0.0034,f=-9.3!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00174 USER MOD Single : A 8 GLN :FLIP amide:sc= -3.25! C(o=-9.7!,f=-3.2!) USER MOD Single : A 9 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.7) USER MOD Single : A 10 LYS NZ :NH3+ -155:sc= 0.791 (180deg=0.161) USER MOD Single : A 15 SER OG : rot 9:sc= -0.106 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN :FLIP amide:sc= -0.17 F(o=-1!,f=-0.17) USER MOD Single : A 34 MET CE :methyl -165:sc= -3.5! (180deg=-4.63!) USER MOD Single : A 36 SER OG : rot 180:sc= -0.488 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 38:sc= 1.06 USER MOD Single : A 54 LYS NZ :NH3+ 161:sc= -0.0388 (180deg=-0.42) USER MOD Single : A 57 SER OG : rot -2:sc= 0.196 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 66:sc= 1.25 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0609 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -160:sc= -0.0782 (180deg=-0.418) USER MOD Single : A 82 LYS NZ :NH3+ 174:sc= -0.0147 (180deg=-0.0945) USER MOD Single : A 84 LYS NZ :NH3+ -138:sc= 1.15 (180deg=0.838) USER MOD Single : A 86 ASN :FLIP amide:sc= -0.111 F(o=-1.5!,f=-0.11) USER MOD Single : A 87 GLN :FLIP amide:sc= 0 F(o=-2.4!,f=0) USER MOD Single : A 89 GLN : amide:sc= -8.7! C(o=-8.7!,f=-8.3!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 119:sc= 1.24 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 166:sc= -1.84 (180deg=-2.13) USER MOD Single : A 103 HIS : no HD1:sc= -2.77! C(o=-2.8!,f=-4.2!) USER MOD Single : A 105 THR OG1 : rot -29:sc= 0.0736 USER MOD Single : A 109 TYR OH : rot 175:sc= -0.789 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN :FLIP amide:sc= -2.14! C(o=-3.2!,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.641 3.025 9.075 1.00 0.00 N ATOM 2 CA MET A 1 2.200 3.311 8.958 1.00 0.00 C ATOM 3 C MET A 1 1.995 4.026 7.632 1.00 0.00 C ATOM 4 O MET A 1 2.974 4.428 7.010 1.00 0.00 O ATOM 5 CB MET A 1 1.763 4.208 10.137 1.00 0.00 C ATOM 6 CG MET A 1 0.274 4.513 10.230 1.00 0.00 C ATOM 7 SD MET A 1 -0.128 5.651 11.568 1.00 0.00 S ATOM 8 CE MET A 1 0.335 4.693 13.012 1.00 0.00 C ATOM 0 H1 MET A 1 3.790 1.996 9.101 1.00 0.00 H new ATOM 0 H2 MET A 1 4.142 3.426 8.257 1.00 0.00 H new ATOM 0 H3 MET A 1 4.010 3.451 9.949 1.00 0.00 H new ATOM 0 HA MET A 1 1.604 2.399 8.989 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.074 3.730 11.066 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.303 5.152 10.068 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.064 4.938 9.285 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.274 3.582 10.375 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.096 5.148 13.904 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.038 3.674 12.908 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.421 4.674 13.103 1.00 0.00 H new ATOM 18 N ASN A 2 0.756 4.159 7.173 1.00 0.00 N ATOM 19 CA ASN A 2 0.499 4.895 5.954 1.00 0.00 C ATOM 20 C ASN A 2 0.468 6.385 6.260 1.00 0.00 C ATOM 21 O ASN A 2 1.340 7.089 5.759 1.00 0.00 O ATOM 22 CB ASN A 2 -0.705 4.360 5.139 1.00 0.00 C ATOM 23 CG ASN A 2 -2.003 4.230 5.915 1.00 0.00 C ATOM 24 OD1 ASN A 2 -1.998 4.028 7.119 1.00 0.00 O ATOM 25 ND2 ASN A 2 -3.118 4.290 5.223 1.00 0.00 N ATOM 0 H ASN A 2 -0.072 3.770 7.624 1.00 0.00 H new ATOM 0 HA ASN A 2 1.326 4.728 5.264 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -0.872 5.023 4.290 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -0.443 3.383 4.733 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.016 4.166 5.691 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.086 4.460 4.218 1.00 0.00 H new ATOM 32 N THR A 3 -0.576 6.874 6.983 1.00 0.00 N ATOM 33 CA THR A 3 -0.614 8.183 7.685 1.00 0.00 C ATOM 34 C THR A 3 -1.912 9.025 7.523 1.00 0.00 C ATOM 35 O THR A 3 -2.700 8.887 6.560 1.00 0.00 O ATOM 36 CB THR A 3 0.682 9.047 7.578 1.00 0.00 C ATOM 37 OG1 THR A 3 0.907 9.735 8.813 1.00 0.00 O ATOM 38 CG2 THR A 3 0.562 10.068 6.473 1.00 0.00 C ATOM 0 H THR A 3 -1.443 6.348 7.096 1.00 0.00 H new ATOM 0 HA THR A 3 -0.648 7.840 8.719 1.00 0.00 H new ATOM 0 HB THR A 3 1.515 8.379 7.358 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.722 10.275 8.743 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.478 10.656 6.420 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.403 9.559 5.523 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.281 10.728 6.677 1.00 0.00 H new ATOM 46 N ASP A 4 -2.092 9.893 8.504 1.00 0.00 N ATOM 47 CA ASP A 4 -3.213 10.808 8.670 1.00 0.00 C ATOM 48 C ASP A 4 -3.080 12.073 7.816 1.00 0.00 C ATOM 49 O ASP A 4 -2.546 13.080 8.244 1.00 0.00 O ATOM 50 CB ASP A 4 -3.395 11.159 10.162 1.00 0.00 C ATOM 51 CG ASP A 4 -2.167 11.774 10.823 1.00 0.00 C ATOM 52 OD1 ASP A 4 -1.143 11.073 10.972 1.00 0.00 O ATOM 53 OD2 ASP A 4 -2.214 12.954 11.233 1.00 0.00 O ATOM 0 H ASP A 4 -1.412 9.985 9.259 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.106 10.294 8.313 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.230 11.853 10.259 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -3.668 10.254 10.704 1.00 0.00 H new ATOM 58 N VAL A 5 -3.491 11.963 6.560 1.00 0.00 N ATOM 59 CA VAL A 5 -3.431 13.045 5.585 1.00 0.00 C ATOM 60 C VAL A 5 -3.931 12.479 4.287 1.00 0.00 C ATOM 61 O VAL A 5 -4.689 13.077 3.549 1.00 0.00 O ATOM 62 CB VAL A 5 -1.992 13.619 5.398 1.00 0.00 C ATOM 63 CG1 VAL A 5 -1.023 12.637 4.732 1.00 0.00 C ATOM 64 CG2 VAL A 5 -2.030 14.946 4.672 1.00 0.00 C ATOM 0 H VAL A 5 -3.884 11.101 6.182 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.039 13.879 5.935 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.595 13.785 6.400 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.043 13.103 4.634 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.938 11.738 5.343 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.398 12.370 3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.015 15.325 4.554 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.483 14.811 3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.619 15.659 5.248 1.00 0.00 H new ATOM 74 N LEU A 6 -3.575 11.255 4.096 1.00 0.00 N ATOM 75 CA LEU A 6 -3.881 10.565 2.909 1.00 0.00 C ATOM 76 C LEU A 6 -5.023 9.634 3.117 1.00 0.00 C ATOM 77 O LEU A 6 -5.956 9.626 2.344 1.00 0.00 O ATOM 78 CB LEU A 6 -2.612 9.867 2.410 1.00 0.00 C ATOM 79 CG LEU A 6 -1.827 9.011 3.425 1.00 0.00 C ATOM 80 CD1 LEU A 6 -2.337 7.588 3.548 1.00 0.00 C ATOM 81 CD2 LEU A 6 -0.349 9.073 3.151 1.00 0.00 C ATOM 0 H LEU A 6 -3.054 10.704 4.778 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.208 11.260 2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.887 9.227 1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.938 10.631 2.021 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.004 9.453 4.406 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.736 7.048 4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.378 7.601 3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.265 7.091 2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.182 8.461 3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.149 8.697 2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.008 10.106 3.226 1.00 0.00 H new ATOM 93 N ASN A 7 -4.984 8.869 4.176 1.00 0.00 N ATOM 94 CA ASN A 7 -5.992 7.873 4.307 1.00 0.00 C ATOM 95 C ASN A 7 -7.234 8.419 4.886 1.00 0.00 C ATOM 96 O ASN A 7 -8.287 8.178 4.390 1.00 0.00 O ATOM 97 CB ASN A 7 -5.516 6.677 5.064 1.00 0.00 C ATOM 98 CG ASN A 7 -6.345 5.473 4.687 1.00 0.00 C ATOM 99 OD1 ASN A 7 -7.353 5.160 5.315 1.00 0.00 O ATOM 100 ND2 ASN A 7 -5.955 4.803 3.624 1.00 0.00 N ATOM 0 H ASN A 7 -4.294 8.917 4.926 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.224 7.536 3.297 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.465 6.490 4.844 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.590 6.860 6.136 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.494 4.000 3.301 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.113 5.087 3.123 1.00 0.00 H new ATOM 107 N GLN A 8 -7.133 9.246 5.863 1.00 0.00 N ATOM 108 CA GLN A 8 -8.356 9.811 6.331 1.00 0.00 C ATOM 109 C GLN A 8 -8.809 11.006 5.518 1.00 0.00 C ATOM 110 O GLN A 8 -9.986 11.245 5.401 1.00 0.00 O ATOM 111 CB GLN A 8 -8.532 9.921 7.862 1.00 0.00 C ATOM 112 CG GLN A 8 -7.324 10.274 8.742 1.00 0.00 C ATOM 113 CD GLN A 8 -6.621 11.580 8.439 1.00 0.00 C ATOM 114 OE1 GLN A 8 -6.330 11.848 7.192 1.00 0.00 O flip ATOM 115 NE2 GLN A 8 -6.178 12.256 9.353 1.00 0.00 N flip ATOM 0 H GLN A 8 -6.276 9.537 6.333 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.096 9.039 6.121 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.301 10.670 8.049 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.924 8.967 8.214 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.655 10.299 9.780 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.595 9.468 8.659 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.418 12.029 10.318 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.568 13.048 9.152 1.00 0.00 H new ATOM 124 N GLN A 9 -7.896 11.696 4.831 1.00 0.00 N ATOM 125 CA GLN A 9 -8.374 12.810 4.081 1.00 0.00 C ATOM 126 C GLN A 9 -8.642 12.411 2.651 1.00 0.00 C ATOM 127 O GLN A 9 -9.778 12.437 2.208 1.00 0.00 O ATOM 128 CB GLN A 9 -7.488 14.058 4.163 1.00 0.00 C ATOM 129 CG GLN A 9 -7.291 14.589 5.574 1.00 0.00 C ATOM 130 CD GLN A 9 -8.590 14.834 6.319 1.00 0.00 C ATOM 131 OE1 GLN A 9 -9.111 13.942 6.980 1.00 0.00 O ATOM 132 NE2 GLN A 9 -9.102 16.041 6.257 1.00 0.00 N ATOM 0 H GLN A 9 -6.895 11.507 4.789 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.312 13.106 4.551 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -6.513 13.827 3.734 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -7.928 14.844 3.549 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -6.686 13.879 6.139 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -6.728 15.521 5.527 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.644 16.761 5.698 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.958 16.259 6.768 1.00 0.00 H new ATOM 141 N LYS A 10 -7.611 11.923 1.963 1.00 0.00 N ATOM 142 CA LYS A 10 -7.744 11.624 0.546 1.00 0.00 C ATOM 143 C LYS A 10 -8.533 10.346 0.298 1.00 0.00 C ATOM 144 O LYS A 10 -9.044 10.136 -0.797 1.00 0.00 O ATOM 145 CB LYS A 10 -6.417 11.537 -0.162 1.00 0.00 C ATOM 146 CG LYS A 10 -6.547 11.858 -1.648 1.00 0.00 C ATOM 147 CD LYS A 10 -5.340 11.425 -2.437 1.00 0.00 C ATOM 148 CE LYS A 10 -4.060 11.901 -1.801 1.00 0.00 C ATOM 149 NZ LYS A 10 -3.881 13.374 -1.797 1.00 0.00 N ATOM 0 H LYS A 10 -6.691 11.730 2.359 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.297 12.466 0.130 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.713 12.229 0.299 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.005 10.535 -0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.434 11.366 -2.047 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.694 12.931 -1.774 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.326 10.338 -2.514 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.409 11.815 -3.452 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.025 11.542 -0.773 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.219 11.448 -2.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.867 13.600 -1.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.287 13.775 -2.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.364 13.780 -0.970 1.00 0.00 H new ATOM 163 N ILE A 11 -8.714 9.520 1.315 1.00 0.00 N ATOM 164 CA ILE A 11 -9.529 8.375 1.108 1.00 0.00 C ATOM 165 C ILE A 11 -10.912 8.713 1.448 1.00 0.00 C ATOM 166 O ILE A 11 -11.783 8.354 0.755 1.00 0.00 O ATOM 167 CB ILE A 11 -9.049 7.062 1.806 1.00 0.00 C ATOM 168 CG1 ILE A 11 -8.764 6.011 0.772 1.00 0.00 C ATOM 169 CG2 ILE A 11 -10.071 6.509 2.822 1.00 0.00 C ATOM 170 CD1 ILE A 11 -8.405 4.643 1.323 1.00 0.00 C ATOM 0 H ILE A 11 -8.318 9.627 2.249 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.447 8.123 0.051 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.145 7.315 2.359 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.639 5.908 0.131 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.945 6.357 0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.679 5.597 3.272 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.248 7.251 3.600 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.008 6.288 2.312 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.218 3.956 0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.509 4.723 1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.230 4.267 1.928 1.00 0.00 H new ATOM 182 N GLU A 12 -11.119 9.492 2.450 1.00 0.00 N ATOM 183 CA GLU A 12 -12.456 9.795 2.786 1.00 0.00 C ATOM 184 C GLU A 12 -13.137 10.632 1.705 1.00 0.00 C ATOM 185 O GLU A 12 -14.340 10.474 1.458 1.00 0.00 O ATOM 186 CB GLU A 12 -12.450 10.408 4.136 1.00 0.00 C ATOM 187 CG GLU A 12 -12.811 9.423 5.229 1.00 0.00 C ATOM 188 CD GLU A 12 -14.258 9.026 5.144 1.00 0.00 C ATOM 189 OE1 GLU A 12 -15.122 9.844 5.520 1.00 0.00 O ATOM 190 OE2 GLU A 12 -14.571 7.909 4.695 1.00 0.00 O ATOM 0 H GLU A 12 -10.400 9.919 3.034 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.066 8.893 2.829 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.462 10.822 4.338 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.154 11.240 4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.182 8.537 5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -12.609 9.867 6.204 1.00 0.00 H new ATOM 197 N GLU A 13 -12.348 11.450 1.007 1.00 0.00 N ATOM 198 CA GLU A 13 -12.873 12.293 -0.052 1.00 0.00 C ATOM 199 C GLU A 13 -12.993 11.547 -1.391 1.00 0.00 C ATOM 200 O GLU A 13 -13.941 11.765 -2.149 1.00 0.00 O ATOM 201 CB GLU A 13 -12.009 13.528 -0.242 1.00 0.00 C ATOM 202 CG GLU A 13 -10.593 13.251 -0.703 1.00 0.00 C ATOM 203 CD GLU A 13 -9.853 14.506 -1.072 1.00 0.00 C ATOM 204 OE1 GLU A 13 -9.212 15.125 -0.200 1.00 0.00 O ATOM 205 OE2 GLU A 13 -9.913 14.916 -2.247 1.00 0.00 O ATOM 0 H GLU A 13 -11.344 11.542 1.161 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.874 12.590 0.261 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.491 14.182 -0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.968 14.074 0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.051 12.733 0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.618 12.582 -1.563 1.00 0.00 H new ATOM 212 N LEU A 14 -12.024 10.698 -1.708 1.00 0.00 N ATOM 213 CA LEU A 14 -12.030 10.027 -2.980 1.00 0.00 C ATOM 214 C LEU A 14 -12.688 8.664 -2.877 1.00 0.00 C ATOM 215 O LEU A 14 -13.183 8.141 -3.866 1.00 0.00 O ATOM 216 CB LEU A 14 -10.621 9.957 -3.550 1.00 0.00 C ATOM 217 CG LEU A 14 -10.498 9.553 -5.013 1.00 0.00 C ATOM 218 CD1 LEU A 14 -11.396 10.422 -5.874 1.00 0.00 C ATOM 219 CD2 LEU A 14 -9.069 9.729 -5.449 1.00 0.00 C ATOM 0 H LEU A 14 -11.237 10.466 -1.102 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.632 10.606 -3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.154 10.934 -3.426 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.046 9.250 -2.952 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.800 8.512 -5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.299 10.123 -6.918 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.432 10.301 -5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.103 11.466 -5.767 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.970 9.442 -6.496 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.778 10.773 -5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.422 9.100 -4.838 1.00 0.00 H new ATOM 231 N SER A 15 -12.605 8.043 -1.716 1.00 0.00 N ATOM 232 CA SER A 15 -13.440 6.909 -1.455 1.00 0.00 C ATOM 233 C SER A 15 -14.871 7.408 -1.412 1.00 0.00 C ATOM 234 O SER A 15 -15.500 7.388 -2.445 1.00 0.00 O ATOM 235 CB SER A 15 -13.015 6.098 -0.217 1.00 0.00 C ATOM 236 OG SER A 15 -11.821 5.397 -0.476 1.00 0.00 O ATOM 0 H SER A 15 -11.977 8.306 -0.957 1.00 0.00 H new ATOM 0 HA SER A 15 -13.335 6.177 -2.256 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.875 6.766 0.633 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.804 5.397 0.055 1.00 0.00 H new ATOM 0 HG SER A 15 -11.453 5.685 -1.338 1.00 0.00 H new ATOM 242 N ALA A 16 -15.384 7.894 -0.273 1.00 0.00 N ATOM 243 CA ALA A 16 -16.721 8.506 -0.259 1.00 0.00 C ATOM 244 C ALA A 16 -17.797 7.621 -0.936 1.00 0.00 C ATOM 245 O ALA A 16 -17.829 6.410 -0.738 1.00 0.00 O ATOM 246 CB ALA A 16 -16.601 9.856 -0.948 1.00 0.00 C ATOM 0 H ALA A 16 -14.908 7.877 0.629 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.057 8.620 0.772 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.574 10.346 -0.960 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.888 10.478 -0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -16.255 9.713 -1.972 1.00 0.00 H new ATOM 252 N GLU A 17 -18.624 8.230 -1.795 1.00 0.00 N ATOM 253 CA GLU A 17 -19.680 7.540 -2.556 1.00 0.00 C ATOM 254 C GLU A 17 -19.085 6.646 -3.630 1.00 0.00 C ATOM 255 O GLU A 17 -19.797 5.970 -4.370 1.00 0.00 O ATOM 256 CB GLU A 17 -20.613 8.504 -3.266 1.00 0.00 C ATOM 257 CG GLU A 17 -21.265 9.563 -2.401 1.00 0.00 C ATOM 258 CD GLU A 17 -20.388 10.768 -2.181 1.00 0.00 C ATOM 259 OE1 GLU A 17 -20.341 11.637 -3.077 1.00 0.00 O ATOM 260 OE2 GLU A 17 -19.719 10.862 -1.134 1.00 0.00 O ATOM 0 H GLU A 17 -18.580 9.231 -1.986 1.00 0.00 H new ATOM 0 HA GLU A 17 -20.235 6.962 -1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -20.053 9.004 -4.056 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -21.399 7.925 -3.751 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -22.198 9.880 -2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -21.523 9.127 -1.436 1.00 0.00 H new ATOM 267 N ILE A 18 -17.795 6.630 -3.687 1.00 0.00 N ATOM 268 CA ILE A 18 -17.083 5.793 -4.563 1.00 0.00 C ATOM 269 C ILE A 18 -16.350 4.709 -3.833 1.00 0.00 C ATOM 270 O ILE A 18 -16.990 3.681 -3.574 1.00 0.00 O ATOM 271 CB ILE A 18 -16.389 6.488 -5.776 1.00 0.00 C ATOM 272 CG1 ILE A 18 -15.366 5.575 -6.430 1.00 0.00 C ATOM 273 CG2 ILE A 18 -15.826 7.862 -5.441 1.00 0.00 C ATOM 274 CD1 ILE A 18 -14.695 6.142 -7.670 1.00 0.00 C ATOM 0 H ILE A 18 -17.200 7.220 -3.105 1.00 0.00 H new ATOM 0 HA ILE A 18 -17.824 5.242 -5.142 1.00 0.00 H new ATOM 0 HB ILE A 18 -17.169 6.675 -6.514 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.596 5.334 -5.697 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -15.856 4.639 -6.697 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -15.358 8.289 -6.328 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -16.633 8.514 -5.107 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -15.084 7.768 -4.648 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.983 5.416 -8.062 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -15.450 6.355 -8.427 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -14.170 7.062 -7.411 1.00 0.00 H new ATOM 286 N GLY A 19 -15.064 4.759 -3.476 1.00 0.00 N ATOM 287 CA GLY A 19 -14.318 3.785 -2.746 1.00 0.00 C ATOM 288 C GLY A 19 -14.843 3.298 -1.429 1.00 0.00 C ATOM 289 O GLY A 19 -14.236 2.410 -0.894 1.00 0.00 O ATOM 0 H GLY A 19 -14.486 5.562 -3.723 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.194 2.915 -3.391 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.324 4.197 -2.571 1.00 0.00 H new ATOM 293 N SER A 20 -15.927 3.811 -0.889 1.00 0.00 N ATOM 294 CA SER A 20 -16.480 3.164 0.291 1.00 0.00 C ATOM 295 C SER A 20 -17.005 1.776 -0.130 1.00 0.00 C ATOM 296 O SER A 20 -17.120 0.846 0.674 1.00 0.00 O ATOM 297 CB SER A 20 -17.543 4.054 0.944 1.00 0.00 C ATOM 298 OG SER A 20 -18.165 3.442 2.070 1.00 0.00 O ATOM 0 H SER A 20 -16.427 4.634 -1.224 1.00 0.00 H new ATOM 0 HA SER A 20 -15.719 3.018 1.057 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.083 4.992 1.255 1.00 0.00 H new ATOM 0 HB3 SER A 20 -18.305 4.302 0.205 1.00 0.00 H new ATOM 0 HG SER A 20 -18.832 4.053 2.448 1.00 0.00 H new ATOM 304 N ASP A 21 -17.266 1.637 -1.428 1.00 0.00 N ATOM 305 CA ASP A 21 -17.580 0.329 -1.966 1.00 0.00 C ATOM 306 C ASP A 21 -16.571 -0.100 -3.012 1.00 0.00 C ATOM 307 O ASP A 21 -16.615 -1.217 -3.487 1.00 0.00 O ATOM 308 CB ASP A 21 -18.956 0.331 -2.587 1.00 0.00 C ATOM 309 CG ASP A 21 -19.535 -1.058 -2.757 1.00 0.00 C ATOM 310 OD1 ASP A 21 -19.778 -1.738 -1.737 1.00 0.00 O ATOM 311 OD2 ASP A 21 -19.824 -1.469 -3.897 1.00 0.00 O ATOM 0 H ASP A 21 -17.265 2.398 -2.107 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.547 -0.377 -1.136 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -19.627 0.924 -1.966 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -18.908 0.819 -3.560 1.00 0.00 H new ATOM 316 N ASN A 22 -15.625 0.760 -3.361 1.00 0.00 N ATOM 317 CA ASN A 22 -14.675 0.351 -4.400 1.00 0.00 C ATOM 318 C ASN A 22 -13.302 -0.035 -3.805 1.00 0.00 C ATOM 319 O ASN A 22 -12.769 -1.093 -4.127 1.00 0.00 O ATOM 320 CB ASN A 22 -14.510 1.430 -5.493 1.00 0.00 C ATOM 321 CG ASN A 22 -13.871 0.941 -6.806 1.00 0.00 C ATOM 322 OD1 ASN A 22 -13.012 -0.056 -6.760 1.00 0.00 O flip ATOM 323 ND2 ASN A 22 -14.166 1.479 -7.872 1.00 0.00 N flip ATOM 0 H ASN A 22 -15.492 1.693 -2.971 1.00 0.00 H new ATOM 0 HA ASN A 22 -15.098 -0.536 -4.871 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -15.491 1.849 -5.719 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -13.902 2.241 -5.092 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.834 2.250 -7.887 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -13.743 1.154 -8.741 1.00 0.00 H new ATOM 330 N VAL A 23 -12.716 0.809 -2.962 1.00 0.00 N ATOM 331 CA VAL A 23 -11.371 0.530 -2.440 1.00 0.00 C ATOM 332 C VAL A 23 -11.248 -0.701 -1.500 1.00 0.00 C ATOM 333 O VAL A 23 -10.238 -1.391 -1.586 1.00 0.00 O ATOM 334 CB VAL A 23 -10.622 1.776 -1.881 1.00 0.00 C ATOM 335 CG1 VAL A 23 -11.180 2.266 -0.560 1.00 0.00 C ATOM 336 CG2 VAL A 23 -9.125 1.532 -1.786 1.00 0.00 C ATOM 0 H VAL A 23 -13.136 1.676 -2.627 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.842 0.236 -3.346 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.792 2.575 -2.602 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.614 3.135 -0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.227 2.542 -0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.101 1.474 0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.635 2.423 -1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.935 0.689 -1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.729 1.309 -2.777 1.00 0.00 H new ATOM 346 N PRO A 24 -12.241 -1.047 -0.610 1.00 0.00 N ATOM 347 CA PRO A 24 -12.130 -2.257 0.217 1.00 0.00 C ATOM 348 C PRO A 24 -12.143 -3.463 -0.696 1.00 0.00 C ATOM 349 O PRO A 24 -11.545 -4.490 -0.411 1.00 0.00 O ATOM 350 CB PRO A 24 -13.397 -2.241 1.080 1.00 0.00 C ATOM 351 CG PRO A 24 -13.873 -0.838 1.027 1.00 0.00 C ATOM 352 CD PRO A 24 -13.500 -0.342 -0.325 1.00 0.00 C ATOM 0 HA PRO A 24 -11.222 -2.293 0.819 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.149 -2.929 0.692 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.182 -2.548 2.104 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.951 -0.783 1.182 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.408 -0.236 1.808 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.267 -0.574 -1.064 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -13.366 0.740 -0.334 1.00 0.00 H new ATOM 360 N VAL A 25 -12.879 -3.299 -1.790 1.00 0.00 N ATOM 361 CA VAL A 25 -12.866 -4.313 -2.818 1.00 0.00 C ATOM 362 C VAL A 25 -11.451 -4.484 -3.376 1.00 0.00 C ATOM 363 O VAL A 25 -10.880 -5.553 -3.290 1.00 0.00 O ATOM 364 CB VAL A 25 -13.868 -4.015 -3.959 1.00 0.00 C ATOM 365 CG1 VAL A 25 -13.778 -5.064 -5.064 1.00 0.00 C ATOM 366 CG2 VAL A 25 -15.275 -3.974 -3.400 1.00 0.00 C ATOM 0 H VAL A 25 -13.475 -2.493 -1.979 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.185 -5.246 -2.353 1.00 0.00 H new ATOM 0 HB VAL A 25 -13.616 -3.047 -4.393 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -14.494 -4.826 -5.850 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.771 -5.069 -5.480 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -14.005 -6.047 -4.652 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.980 -3.764 -4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.515 -4.937 -2.949 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.344 -3.192 -2.644 1.00 0.00 H new ATOM 376 N LEU A 26 -10.853 -3.400 -3.823 1.00 0.00 N ATOM 377 CA LEU A 26 -9.587 -3.344 -4.537 1.00 0.00 C ATOM 378 C LEU A 26 -8.418 -3.794 -3.622 1.00 0.00 C ATOM 379 O LEU A 26 -7.702 -4.756 -3.902 1.00 0.00 O ATOM 380 CB LEU A 26 -9.458 -1.852 -4.950 1.00 0.00 C ATOM 381 CG LEU A 26 -8.614 -1.446 -6.157 1.00 0.00 C ATOM 382 CD1 LEU A 26 -9.061 -2.226 -7.377 1.00 0.00 C ATOM 383 CD2 LEU A 26 -8.848 0.037 -6.420 1.00 0.00 C ATOM 0 H LEU A 26 -11.261 -2.474 -3.691 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.551 -4.012 -5.398 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.467 -1.479 -5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.064 -1.314 -4.088 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.561 -1.648 -5.960 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.457 -1.934 -8.237 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.937 -3.293 -7.192 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.110 -2.012 -7.581 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.255 0.352 -7.279 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.905 0.208 -6.626 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.552 0.613 -5.544 1.00 0.00 H new ATOM 395 N LEU A 27 -8.226 -3.008 -2.599 1.00 0.00 N ATOM 396 CA LEU A 27 -7.184 -3.311 -1.627 1.00 0.00 C ATOM 397 C LEU A 27 -7.241 -4.745 -1.101 1.00 0.00 C ATOM 398 O LEU A 27 -6.252 -5.461 -1.150 1.00 0.00 O ATOM 399 CB LEU A 27 -7.205 -2.316 -0.475 1.00 0.00 C ATOM 400 CG LEU A 27 -6.394 -1.057 -0.712 1.00 0.00 C ATOM 401 CD1 LEU A 27 -6.655 -0.042 0.386 1.00 0.00 C ATOM 402 CD2 LEU A 27 -4.904 -1.377 -0.759 1.00 0.00 C ATOM 0 H LEU A 27 -8.763 -2.162 -2.408 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.239 -3.217 -2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.239 -2.034 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.830 -2.810 0.421 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.699 -0.637 -1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.065 0.855 0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.714 0.216 0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.374 -0.468 1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.340 -0.460 -0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.597 -1.820 0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.708 -2.080 -1.569 1.00 0.00 H new ATOM 414 N ASP A 28 -8.400 -5.203 -0.683 1.00 0.00 N ATOM 415 CA ASP A 28 -8.465 -6.517 -0.055 1.00 0.00 C ATOM 416 C ASP A 28 -8.258 -7.653 -1.065 1.00 0.00 C ATOM 417 O ASP A 28 -7.707 -8.707 -0.717 1.00 0.00 O ATOM 418 CB ASP A 28 -9.755 -6.697 0.732 1.00 0.00 C ATOM 419 CG ASP A 28 -9.693 -7.869 1.683 1.00 0.00 C ATOM 420 OD1 ASP A 28 -9.056 -7.748 2.749 1.00 0.00 O ATOM 421 OD2 ASP A 28 -10.297 -8.921 1.414 1.00 0.00 O ATOM 0 H ASP A 28 -9.289 -4.708 -0.759 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.638 -6.570 0.653 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.964 -5.787 1.295 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.583 -6.840 0.038 1.00 0.00 H new ATOM 426 N ILE A 29 -8.616 -7.424 -2.332 1.00 0.00 N ATOM 427 CA ILE A 29 -8.448 -8.469 -3.338 1.00 0.00 C ATOM 428 C ILE A 29 -6.994 -8.550 -3.748 1.00 0.00 C ATOM 429 O ILE A 29 -6.382 -9.597 -3.681 1.00 0.00 O ATOM 430 CB ILE A 29 -9.355 -8.307 -4.612 1.00 0.00 C ATOM 431 CG1 ILE A 29 -9.096 -6.968 -5.330 1.00 0.00 C ATOM 432 CG2 ILE A 29 -10.829 -8.474 -4.262 1.00 0.00 C ATOM 433 CD1 ILE A 29 -9.897 -6.709 -6.583 1.00 0.00 C ATOM 0 H ILE A 29 -9.013 -6.550 -2.676 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.774 -9.395 -2.863 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.086 -9.102 -5.308 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.293 -6.160 -4.626 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.038 -6.917 -5.585 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.432 -8.357 -5.162 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.993 -9.466 -3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.117 -7.718 -3.531 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.625 -5.737 -6.994 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.685 -7.486 -7.317 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.960 -6.717 -6.343 1.00 0.00 H new ATOM 445 N PHE A 30 -6.425 -7.418 -4.073 1.00 0.00 N ATOM 446 CA PHE A 30 -5.087 -7.348 -4.607 1.00 0.00 C ATOM 447 C PHE A 30 -4.017 -7.640 -3.581 1.00 0.00 C ATOM 448 O PHE A 30 -2.911 -8.000 -3.920 1.00 0.00 O ATOM 449 CB PHE A 30 -4.888 -6.020 -5.284 1.00 0.00 C ATOM 450 CG PHE A 30 -5.539 -5.919 -6.638 1.00 0.00 C ATOM 451 CD1 PHE A 30 -5.414 -6.951 -7.551 1.00 0.00 C ATOM 452 CD2 PHE A 30 -6.269 -4.801 -6.998 1.00 0.00 C ATOM 453 CE1 PHE A 30 -6.001 -6.873 -8.793 1.00 0.00 C ATOM 454 CE2 PHE A 30 -6.857 -4.717 -8.244 1.00 0.00 C ATOM 455 CZ PHE A 30 -6.726 -5.753 -9.143 1.00 0.00 C ATOM 0 H PHE A 30 -6.880 -6.511 -3.974 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.979 -8.141 -5.347 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.285 -5.233 -4.642 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.819 -5.835 -5.391 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.847 -7.831 -7.285 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.380 -3.986 -6.298 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.894 -7.688 -9.493 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.421 -3.837 -8.515 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.189 -5.688 -10.117 1.00 0.00 H new ATOM 465 N LEU A 31 -4.411 -7.573 -2.350 1.00 0.00 N ATOM 466 CA LEU A 31 -3.554 -7.919 -1.297 1.00 0.00 C ATOM 467 C LEU A 31 -3.770 -9.351 -0.882 1.00 0.00 C ATOM 468 O LEU A 31 -2.817 -10.046 -0.636 1.00 0.00 O ATOM 469 CB LEU A 31 -3.673 -6.887 -0.163 1.00 0.00 C ATOM 470 CG LEU A 31 -2.872 -5.573 -0.316 1.00 0.00 C ATOM 471 CD1 LEU A 31 -1.383 -5.857 -0.455 1.00 0.00 C ATOM 472 CD2 LEU A 31 -3.347 -4.690 -1.471 1.00 0.00 C ATOM 0 H LEU A 31 -5.342 -7.274 -2.061 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.515 -7.878 -1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.726 -6.629 -0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.361 -7.367 0.765 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.055 -5.011 0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.842 -4.917 -0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.028 -6.382 0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.211 -6.476 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.737 -3.788 -1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.253 -5.237 -2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.390 -4.416 -1.314 1.00 0.00 H new ATOM 484 N GLY A 32 -5.015 -9.818 -0.863 1.00 0.00 N ATOM 485 CA GLY A 32 -5.314 -11.202 -0.528 1.00 0.00 C ATOM 486 C GLY A 32 -4.827 -12.183 -1.593 1.00 0.00 C ATOM 487 O GLY A 32 -4.313 -13.256 -1.262 1.00 0.00 O ATOM 0 H GLY A 32 -5.836 -9.252 -1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.851 -11.449 0.427 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.390 -11.316 -0.399 1.00 0.00 H new ATOM 491 N GLU A 33 -4.977 -11.825 -2.869 1.00 0.00 N ATOM 492 CA GLU A 33 -4.503 -12.676 -3.966 1.00 0.00 C ATOM 493 C GLU A 33 -2.994 -12.583 -4.036 1.00 0.00 C ATOM 494 O GLU A 33 -2.303 -13.549 -4.349 1.00 0.00 O ATOM 495 CB GLU A 33 -5.081 -12.253 -5.312 1.00 0.00 C ATOM 496 CG GLU A 33 -6.583 -12.103 -5.331 1.00 0.00 C ATOM 497 CD GLU A 33 -7.127 -11.907 -6.725 1.00 0.00 C ATOM 498 OE1 GLU A 33 -6.689 -10.982 -7.439 1.00 0.00 O ATOM 499 OE2 GLU A 33 -7.989 -12.702 -7.147 1.00 0.00 O ATOM 0 H GLU A 33 -5.420 -10.957 -3.169 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.830 -13.696 -3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.630 -11.304 -5.604 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.793 -12.988 -6.064 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.039 -12.988 -4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.868 -11.253 -4.711 1.00 0.00 H new ATOM 506 N MET A 34 -2.510 -11.389 -3.741 1.00 0.00 N ATOM 507 CA MET A 34 -1.066 -11.215 -3.683 1.00 0.00 C ATOM 508 C MET A 34 -0.551 -12.169 -2.660 1.00 0.00 C ATOM 509 O MET A 34 0.267 -13.030 -2.956 1.00 0.00 O ATOM 510 CB MET A 34 -0.691 -9.865 -3.191 1.00 0.00 C ATOM 511 CG MET A 34 0.737 -9.420 -3.526 1.00 0.00 C ATOM 512 SD MET A 34 0.998 -8.913 -5.262 1.00 0.00 S ATOM 513 CE MET A 34 0.699 -10.393 -6.240 1.00 0.00 C ATOM 0 H MET A 34 -3.066 -10.557 -3.545 1.00 0.00 H new ATOM 0 HA MET A 34 -0.663 -11.368 -4.684 1.00 0.00 H new ATOM 0 HB2 MET A 34 -1.388 -9.138 -3.608 1.00 0.00 H new ATOM 0 HB3 MET A 34 -0.817 -9.843 -2.108 1.00 0.00 H new ATOM 0 HG2 MET A 34 1.004 -8.587 -2.876 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.420 -10.237 -3.295 1.00 0.00 H new ATOM 0 HE1 MET A 34 1.088 -10.248 -7.248 1.00 0.00 H new ATOM 0 HE2 MET A 34 1.200 -11.243 -5.777 1.00 0.00 H new ATOM 0 HE3 MET A 34 -0.373 -10.586 -6.289 1.00 0.00 H new ATOM 523 N ASP A 35 -1.179 -12.090 -1.495 1.00 0.00 N ATOM 524 CA ASP A 35 -0.903 -12.868 -0.308 1.00 0.00 C ATOM 525 C ASP A 35 -0.995 -14.366 -0.598 1.00 0.00 C ATOM 526 O ASP A 35 -0.370 -15.184 0.077 1.00 0.00 O ATOM 527 CB ASP A 35 -1.888 -12.428 0.784 1.00 0.00 C ATOM 528 CG ASP A 35 -1.655 -13.145 2.102 1.00 0.00 C ATOM 529 OD1 ASP A 35 -0.548 -13.035 2.679 1.00 0.00 O ATOM 530 OD2 ASP A 35 -2.574 -13.833 2.587 1.00 0.00 O ATOM 0 H ASP A 35 -1.946 -11.434 -1.351 1.00 0.00 H new ATOM 0 HA ASP A 35 0.117 -12.691 0.034 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.797 -11.353 0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.907 -12.617 0.447 1.00 0.00 H new ATOM 535 N SER A 36 -1.742 -14.715 -1.647 1.00 0.00 N ATOM 536 CA SER A 36 -1.824 -16.096 -2.073 1.00 0.00 C ATOM 537 C SER A 36 -0.452 -16.610 -2.463 1.00 0.00 C ATOM 538 O SER A 36 -0.043 -17.718 -2.123 1.00 0.00 O ATOM 539 CB SER A 36 -2.709 -16.283 -3.280 1.00 0.00 C ATOM 540 OG SER A 36 -4.023 -15.774 -3.057 1.00 0.00 O ATOM 0 H SER A 36 -2.290 -14.062 -2.206 1.00 0.00 H new ATOM 0 HA SER A 36 -2.240 -16.641 -1.226 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.265 -15.779 -4.138 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.767 -17.343 -3.528 1.00 0.00 H new ATOM 0 HG SER A 36 -4.567 -15.911 -3.860 1.00 0.00 H new ATOM 546 N TYR A 37 0.255 -15.771 -3.182 1.00 0.00 N ATOM 547 CA TYR A 37 1.575 -16.090 -3.688 1.00 0.00 C ATOM 548 C TYR A 37 2.586 -16.076 -2.593 1.00 0.00 C ATOM 549 O TYR A 37 3.677 -16.576 -2.710 1.00 0.00 O ATOM 550 CB TYR A 37 1.915 -15.154 -4.825 1.00 0.00 C ATOM 551 CG TYR A 37 0.918 -15.379 -5.901 1.00 0.00 C ATOM 552 CD1 TYR A 37 0.922 -16.564 -6.590 1.00 0.00 C ATOM 553 CD2 TYR A 37 -0.065 -14.463 -6.169 1.00 0.00 C ATOM 554 CE1 TYR A 37 0.004 -16.859 -7.520 1.00 0.00 C ATOM 555 CE2 TYR A 37 -1.021 -14.731 -7.128 1.00 0.00 C ATOM 556 CZ TYR A 37 -0.985 -15.940 -7.806 1.00 0.00 C ATOM 557 OH TYR A 37 -1.941 -16.233 -8.754 1.00 0.00 O ATOM 0 H TYR A 37 -0.070 -14.838 -3.436 1.00 0.00 H new ATOM 0 HA TYR A 37 1.584 -17.105 -4.085 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.889 -14.117 -4.489 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.924 -15.346 -5.191 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.695 -17.287 -6.375 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.092 -13.528 -5.628 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.038 -17.805 -8.040 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.790 -14.006 -7.348 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.564 -15.481 -8.834 1.00 0.00 H new ATOM 567 N ILE A 38 2.210 -15.488 -1.538 1.00 0.00 N ATOM 568 CA ILE A 38 3.008 -15.513 -0.356 1.00 0.00 C ATOM 569 C ILE A 38 2.881 -16.869 0.281 1.00 0.00 C ATOM 570 O ILE A 38 3.871 -17.497 0.627 1.00 0.00 O ATOM 571 CB ILE A 38 2.658 -14.373 0.615 1.00 0.00 C ATOM 572 CG1 ILE A 38 3.188 -13.061 0.049 1.00 0.00 C ATOM 573 CG2 ILE A 38 3.228 -14.633 2.002 1.00 0.00 C ATOM 574 CD1 ILE A 38 2.538 -12.579 -1.239 1.00 0.00 C ATOM 0 H ILE A 38 1.337 -14.967 -1.451 1.00 0.00 H new ATOM 0 HA ILE A 38 4.050 -15.342 -0.627 1.00 0.00 H new ATOM 0 HB ILE A 38 1.575 -14.315 0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.066 -12.286 0.806 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.258 -13.170 -0.126 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.963 -13.809 2.665 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.817 -15.562 2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.313 -14.714 1.940 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.994 -11.638 -1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.682 -13.325 -2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.471 -12.428 -1.074 1.00 0.00 H new ATOM 586 N GLY A 39 1.665 -17.338 0.396 1.00 0.00 N ATOM 587 CA GLY A 39 1.453 -18.667 0.867 1.00 0.00 C ATOM 588 C GLY A 39 2.138 -19.676 -0.054 1.00 0.00 C ATOM 589 O GLY A 39 3.135 -20.305 0.321 1.00 0.00 O ATOM 0 H GLY A 39 0.817 -16.818 0.170 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.843 -18.767 1.880 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.384 -18.876 0.915 1.00 0.00 H new ATOM 593 N THR A 40 1.691 -19.703 -1.290 1.00 0.00 N ATOM 594 CA THR A 40 2.114 -20.667 -2.246 1.00 0.00 C ATOM 595 C THR A 40 3.522 -20.380 -2.764 1.00 0.00 C ATOM 596 O THR A 40 4.427 -21.157 -2.496 1.00 0.00 O ATOM 597 CB THR A 40 1.095 -20.737 -3.403 1.00 0.00 C ATOM 598 OG1 THR A 40 -0.203 -21.021 -2.867 1.00 0.00 O ATOM 599 CG2 THR A 40 1.461 -21.815 -4.411 1.00 0.00 C ATOM 0 H THR A 40 1.010 -19.036 -1.653 1.00 0.00 H new ATOM 0 HA THR A 40 2.157 -21.638 -1.753 1.00 0.00 H new ATOM 0 HB THR A 40 1.101 -19.776 -3.917 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.856 -21.065 -3.597 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.720 -21.833 -5.210 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.443 -21.601 -4.832 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.483 -22.785 -3.914 1.00 0.00 H new ATOM 607 N LEU A 41 3.743 -19.254 -3.453 1.00 0.00 N ATOM 608 CA LEU A 41 5.013 -19.006 -4.111 1.00 0.00 C ATOM 609 C LEU A 41 6.150 -18.705 -3.144 1.00 0.00 C ATOM 610 O LEU A 41 7.271 -18.916 -3.471 1.00 0.00 O ATOM 611 CB LEU A 41 4.967 -17.836 -5.053 1.00 0.00 C ATOM 612 CG LEU A 41 3.931 -17.754 -6.088 1.00 0.00 C ATOM 613 CD1 LEU A 41 4.356 -16.748 -7.147 1.00 0.00 C ATOM 614 CD2 LEU A 41 3.507 -19.100 -6.647 1.00 0.00 C ATOM 0 H LEU A 41 3.056 -18.508 -3.564 1.00 0.00 H new ATOM 0 HA LEU A 41 5.197 -19.938 -4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.885 -16.936 -4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.931 -17.792 -5.559 1.00 0.00 H new ATOM 0 HG LEU A 41 3.015 -17.389 -5.623 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.588 -16.685 -7.918 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.489 -15.769 -6.686 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.296 -17.068 -7.597 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.739 -18.953 -7.406 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.369 -19.596 -7.094 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.109 -19.719 -5.843 1.00 0.00 H new ATOM 626 N THR A 42 5.873 -18.244 -1.948 1.00 0.00 N ATOM 627 CA THR A 42 6.991 -17.939 -1.050 1.00 0.00 C ATOM 628 C THR A 42 7.524 -19.210 -0.475 1.00 0.00 C ATOM 629 O THR A 42 8.734 -19.440 -0.371 1.00 0.00 O ATOM 630 CB THR A 42 6.545 -16.943 0.018 1.00 0.00 C ATOM 631 OG1 THR A 42 6.190 -15.701 -0.618 1.00 0.00 O ATOM 632 CG2 THR A 42 7.576 -16.725 1.122 1.00 0.00 C ATOM 0 H THR A 42 4.939 -18.074 -1.576 1.00 0.00 H new ATOM 0 HA THR A 42 7.804 -17.465 -1.600 1.00 0.00 H new ATOM 0 HB THR A 42 5.677 -17.368 0.521 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.055 -15.011 0.065 1.00 0.00 H new ATOM 0 HG21 THR A 42 7.190 -16.006 1.844 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.777 -17.671 1.625 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.499 -16.342 0.687 1.00 0.00 H new ATOM 640 N GLU A 43 6.593 -20.045 -0.187 1.00 0.00 N ATOM 641 CA GLU A 43 6.877 -21.410 0.229 1.00 0.00 C ATOM 642 C GLU A 43 7.491 -22.237 -0.943 1.00 0.00 C ATOM 643 O GLU A 43 8.069 -23.308 -0.734 1.00 0.00 O ATOM 644 CB GLU A 43 5.600 -22.060 0.758 1.00 0.00 C ATOM 645 CG GLU A 43 5.777 -23.467 1.280 1.00 0.00 C ATOM 646 CD GLU A 43 6.801 -23.541 2.390 1.00 0.00 C ATOM 647 OE1 GLU A 43 6.550 -23.003 3.493 1.00 0.00 O ATOM 648 OE2 GLU A 43 7.879 -24.151 2.189 1.00 0.00 O ATOM 0 H GLU A 43 5.599 -19.819 -0.227 1.00 0.00 H new ATOM 0 HA GLU A 43 7.616 -21.390 1.030 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.197 -21.439 1.557 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.858 -22.074 -0.040 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.820 -23.840 1.646 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.082 -24.120 0.462 1.00 0.00 H new ATOM 655 N LEU A 44 7.416 -21.721 -2.168 1.00 0.00 N ATOM 656 CA LEU A 44 7.864 -22.424 -3.350 1.00 0.00 C ATOM 657 C LEU A 44 9.064 -21.782 -4.073 1.00 0.00 C ATOM 658 O LEU A 44 9.799 -22.473 -4.771 1.00 0.00 O ATOM 659 CB LEU A 44 6.678 -22.564 -4.310 1.00 0.00 C ATOM 660 CG LEU A 44 5.666 -23.652 -3.987 1.00 0.00 C ATOM 661 CD1 LEU A 44 4.579 -23.671 -5.033 1.00 0.00 C ATOM 662 CD2 LEU A 44 6.348 -24.998 -3.905 1.00 0.00 C ATOM 0 H LEU A 44 7.038 -20.794 -2.361 1.00 0.00 H new ATOM 0 HA LEU A 44 8.229 -23.395 -3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.153 -21.609 -4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.069 -22.749 -5.310 1.00 0.00 H new ATOM 0 HG LEU A 44 5.215 -23.438 -3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.858 -24.453 -4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.074 -22.705 -5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.018 -23.869 -6.011 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.610 -25.766 -3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.820 -25.225 -4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.106 -24.975 -3.122 1.00 0.00 H new ATOM 674 N GLN A 45 9.274 -20.490 -3.888 1.00 0.00 N ATOM 675 CA GLN A 45 10.263 -19.734 -4.656 1.00 0.00 C ATOM 676 C GLN A 45 10.523 -18.386 -4.028 1.00 0.00 C ATOM 677 O GLN A 45 10.058 -18.106 -2.942 1.00 0.00 O ATOM 678 CB GLN A 45 9.717 -19.533 -6.075 1.00 0.00 C ATOM 679 CG GLN A 45 8.485 -18.628 -6.168 1.00 0.00 C ATOM 680 CD GLN A 45 7.912 -18.611 -7.563 1.00 0.00 C ATOM 681 OE1 GLN A 45 7.055 -19.422 -7.897 1.00 0.00 O ATOM 682 NE2 GLN A 45 8.384 -17.706 -8.390 1.00 0.00 N ATOM 0 H GLN A 45 8.767 -19.931 -3.203 1.00 0.00 H new ATOM 0 HA GLN A 45 11.202 -20.288 -4.673 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.507 -19.112 -6.697 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.467 -20.508 -6.494 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.726 -18.973 -5.466 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.755 -17.614 -5.872 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.097 -17.049 -8.074 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.037 -17.661 -9.348 1.00 0.00 H new ATOM 691 N GLY A 46 11.249 -17.564 -4.770 1.00 0.00 N ATOM 692 CA GLY A 46 11.562 -16.195 -4.413 1.00 0.00 C ATOM 693 C GLY A 46 10.447 -15.286 -4.851 1.00 0.00 C ATOM 694 O GLY A 46 10.660 -14.308 -5.542 1.00 0.00 O ATOM 0 H GLY A 46 11.648 -17.844 -5.666 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.707 -16.115 -3.336 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.497 -15.892 -4.884 1.00 0.00 H new ATOM 698 N SER A 47 9.263 -15.769 -4.600 1.00 0.00 N ATOM 699 CA SER A 47 8.057 -15.076 -4.777 1.00 0.00 C ATOM 700 C SER A 47 8.193 -13.654 -4.321 1.00 0.00 C ATOM 701 O SER A 47 7.966 -12.777 -5.086 1.00 0.00 O ATOM 702 CB SER A 47 7.050 -15.749 -3.917 1.00 0.00 C ATOM 703 OG SER A 47 5.761 -15.157 -4.018 1.00 0.00 O ATOM 0 H SER A 47 9.126 -16.716 -4.246 1.00 0.00 H new ATOM 0 HA SER A 47 7.772 -15.077 -5.829 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.985 -16.801 -4.195 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.382 -15.713 -2.879 1.00 0.00 H new ATOM 0 HG SER A 47 5.352 -15.109 -3.129 1.00 0.00 H new ATOM 709 N GLU A 48 8.300 -13.519 -3.019 1.00 0.00 N ATOM 710 CA GLU A 48 8.437 -12.211 -2.358 1.00 0.00 C ATOM 711 C GLU A 48 9.097 -11.106 -3.252 1.00 0.00 C ATOM 712 O GLU A 48 8.620 -9.973 -3.294 1.00 0.00 O ATOM 713 CB GLU A 48 9.145 -12.356 -1.012 1.00 0.00 C ATOM 714 CG GLU A 48 8.880 -13.686 -0.307 1.00 0.00 C ATOM 715 CD GLU A 48 9.978 -14.665 -0.601 1.00 0.00 C ATOM 716 OE1 GLU A 48 11.077 -14.529 -0.021 1.00 0.00 O ATOM 717 OE2 GLU A 48 9.771 -15.553 -1.434 1.00 0.00 O ATOM 0 H GLU A 48 8.296 -14.308 -2.373 1.00 0.00 H new ATOM 0 HA GLU A 48 7.422 -11.854 -2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.219 -12.246 -1.165 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.831 -11.542 -0.359 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.806 -13.526 0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.924 -14.094 -0.635 1.00 0.00 H new ATOM 724 N GLN A 49 10.159 -11.499 -3.967 1.00 0.00 N ATOM 725 CA GLN A 49 10.803 -10.661 -5.011 1.00 0.00 C ATOM 726 C GLN A 49 9.726 -10.003 -5.940 1.00 0.00 C ATOM 727 O GLN A 49 9.650 -8.780 -6.103 1.00 0.00 O ATOM 728 CB GLN A 49 11.660 -11.600 -5.874 1.00 0.00 C ATOM 729 CG GLN A 49 12.320 -10.952 -7.072 1.00 0.00 C ATOM 730 CD GLN A 49 12.348 -11.881 -8.269 1.00 0.00 C ATOM 731 OE1 GLN A 49 13.278 -12.667 -8.450 1.00 0.00 O ATOM 732 NE2 GLN A 49 11.339 -11.782 -9.110 1.00 0.00 N ATOM 0 H GLN A 49 10.604 -12.408 -3.844 1.00 0.00 H new ATOM 0 HA GLN A 49 11.390 -9.873 -4.540 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.435 -12.039 -5.245 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.032 -12.419 -6.224 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.784 -10.039 -7.333 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.338 -10.661 -6.813 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.586 -11.119 -8.927 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.311 -12.368 -9.944 1.00 0.00 H new ATOM 741 N LEU A 50 8.913 -10.874 -6.516 1.00 0.00 N ATOM 742 CA LEU A 50 7.819 -10.642 -7.393 1.00 0.00 C ATOM 743 C LEU A 50 6.731 -9.859 -6.708 1.00 0.00 C ATOM 744 O LEU A 50 6.419 -8.766 -7.164 1.00 0.00 O ATOM 745 CB LEU A 50 7.341 -12.049 -7.831 1.00 0.00 C ATOM 746 CG LEU A 50 6.176 -12.203 -8.811 1.00 0.00 C ATOM 747 CD1 LEU A 50 6.408 -13.439 -9.668 1.00 0.00 C ATOM 748 CD2 LEU A 50 4.871 -12.392 -8.048 1.00 0.00 C ATOM 0 H LEU A 50 9.035 -11.873 -6.348 1.00 0.00 H new ATOM 0 HA LEU A 50 8.105 -10.040 -8.255 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.199 -12.559 -8.269 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.074 -12.594 -6.926 1.00 0.00 H new ATOM 0 HG LEU A 50 6.115 -11.308 -9.430 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.582 -13.556 -10.369 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.341 -13.328 -10.221 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.468 -14.319 -9.028 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.049 -12.501 -8.755 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.938 -13.287 -7.429 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.692 -11.524 -7.413 1.00 0.00 H new ATOM 760 N LEU A 51 6.256 -10.374 -5.559 1.00 0.00 N ATOM 761 CA LEU A 51 5.035 -9.885 -4.879 1.00 0.00 C ATOM 762 C LEU A 51 5.033 -8.395 -4.624 1.00 0.00 C ATOM 763 O LEU A 51 4.010 -7.757 -4.660 1.00 0.00 O ATOM 764 CB LEU A 51 4.743 -10.642 -3.563 1.00 0.00 C ATOM 765 CG LEU A 51 5.653 -10.361 -2.341 1.00 0.00 C ATOM 766 CD1 LEU A 51 5.280 -9.084 -1.603 1.00 0.00 C ATOM 767 CD2 LEU A 51 5.613 -11.510 -1.387 1.00 0.00 C ATOM 0 H LEU A 51 6.709 -11.146 -5.070 1.00 0.00 H new ATOM 0 HA LEU A 51 4.233 -10.094 -5.587 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.716 -10.420 -3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.791 -11.710 -3.775 1.00 0.00 H new ATOM 0 HG LEU A 51 6.661 -10.231 -2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.953 -8.942 -0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.364 -8.234 -2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.255 -9.159 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.257 -11.297 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.590 -11.660 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.962 -12.412 -1.889 1.00 0.00 H new ATOM 779 N TYR A 52 6.196 -7.853 -4.505 1.00 0.00 N ATOM 780 CA TYR A 52 6.419 -6.495 -4.089 1.00 0.00 C ATOM 781 C TYR A 52 6.316 -5.597 -5.248 1.00 0.00 C ATOM 782 O TYR A 52 5.618 -4.605 -5.236 1.00 0.00 O ATOM 783 CB TYR A 52 7.824 -6.472 -3.631 1.00 0.00 C ATOM 784 CG TYR A 52 8.297 -5.161 -3.033 1.00 0.00 C ATOM 785 CD1 TYR A 52 7.585 -4.541 -2.013 1.00 0.00 C ATOM 786 CD2 TYR A 52 9.476 -4.571 -3.459 1.00 0.00 C ATOM 787 CE1 TYR A 52 8.040 -3.363 -1.434 1.00 0.00 C ATOM 788 CE2 TYR A 52 9.937 -3.394 -2.893 1.00 0.00 C ATOM 789 CZ TYR A 52 9.218 -2.795 -1.880 1.00 0.00 C ATOM 790 OH TYR A 52 9.676 -1.623 -1.316 1.00 0.00 O ATOM 0 H TYR A 52 7.060 -8.359 -4.701 1.00 0.00 H new ATOM 0 HA TYR A 52 5.702 -6.181 -3.330 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.958 -7.259 -2.889 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.467 -6.718 -4.476 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.663 -4.982 -1.665 1.00 0.00 H new ATOM 0 HD2 TYR A 52 10.047 -5.038 -4.248 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.477 -2.894 -0.641 1.00 0.00 H new ATOM 0 HE2 TYR A 52 10.856 -2.947 -3.243 1.00 0.00 H new ATOM 0 HH TYR A 52 9.490 -1.629 -0.354 1.00 0.00 H new ATOM 800 N LEU A 53 6.956 -6.062 -6.273 1.00 0.00 N ATOM 801 CA LEU A 53 6.951 -5.228 -7.423 1.00 0.00 C ATOM 802 C LEU A 53 5.558 -5.283 -8.024 1.00 0.00 C ATOM 803 O LEU A 53 5.142 -4.400 -8.727 1.00 0.00 O ATOM 804 CB LEU A 53 8.131 -5.517 -8.378 1.00 0.00 C ATOM 805 CG LEU A 53 8.109 -6.778 -9.232 1.00 0.00 C ATOM 806 CD1 LEU A 53 7.367 -6.513 -10.527 1.00 0.00 C ATOM 807 CD2 LEU A 53 9.518 -7.279 -9.501 1.00 0.00 C ATOM 0 H LEU A 53 7.454 -6.950 -6.338 1.00 0.00 H new ATOM 0 HA LEU A 53 7.144 -4.188 -7.161 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.222 -4.666 -9.053 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.040 -5.545 -7.777 1.00 0.00 H new ATOM 0 HG LEU A 53 7.583 -7.560 -8.685 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.356 -7.420 -11.132 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.343 -6.212 -10.305 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.868 -5.716 -11.077 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.473 -8.180 -10.113 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.083 -6.510 -10.028 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.010 -7.507 -8.555 1.00 0.00 H new ATOM 819 N LYS A 54 4.859 -6.373 -7.741 1.00 0.00 N ATOM 820 CA LYS A 54 3.454 -6.456 -8.130 1.00 0.00 C ATOM 821 C LYS A 54 2.591 -5.593 -7.290 1.00 0.00 C ATOM 822 O LYS A 54 1.898 -4.773 -7.781 1.00 0.00 O ATOM 823 CB LYS A 54 2.826 -7.789 -7.936 1.00 0.00 C ATOM 824 CG LYS A 54 3.688 -8.976 -8.031 1.00 0.00 C ATOM 825 CD LYS A 54 3.967 -9.344 -9.434 1.00 0.00 C ATOM 826 CE LYS A 54 4.879 -8.409 -10.150 1.00 0.00 C ATOM 827 NZ LYS A 54 5.136 -8.824 -11.544 1.00 0.00 N ATOM 0 H LYS A 54 5.226 -7.192 -7.257 1.00 0.00 H new ATOM 0 HA LYS A 54 3.501 -6.175 -9.182 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.354 -7.796 -6.954 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.030 -7.894 -8.673 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.627 -8.785 -7.512 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.209 -9.814 -7.524 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.403 -10.343 -9.454 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.023 -9.397 -9.977 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.445 -7.409 -10.146 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.825 -8.347 -9.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.493 -8.012 -12.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.844 -9.586 -11.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.253 -9.167 -11.973 1.00 0.00 H new ATOM 841 N GLU A 55 2.700 -5.780 -6.017 1.00 0.00 N ATOM 842 CA GLU A 55 1.714 -5.078 -5.232 1.00 0.00 C ATOM 843 C GLU A 55 1.914 -3.601 -5.387 1.00 0.00 C ATOM 844 O GLU A 55 1.009 -2.879 -5.710 1.00 0.00 O ATOM 845 CB GLU A 55 1.617 -5.518 -3.783 1.00 0.00 C ATOM 846 CG GLU A 55 2.875 -5.322 -2.988 1.00 0.00 C ATOM 847 CD GLU A 55 2.645 -5.586 -1.529 1.00 0.00 C ATOM 848 OE1 GLU A 55 1.985 -4.749 -0.892 1.00 0.00 O ATOM 849 OE2 GLU A 55 3.127 -6.607 -1.002 1.00 0.00 O ATOM 0 H GLU A 55 3.386 -6.352 -5.525 1.00 0.00 H new ATOM 0 HA GLU A 55 0.737 -5.349 -5.631 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.809 -4.967 -3.302 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.345 -6.573 -3.754 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.652 -5.989 -3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.238 -4.303 -3.123 1.00 0.00 H new ATOM 856 N ILE A 56 3.127 -3.211 -5.351 1.00 0.00 N ATOM 857 CA ILE A 56 3.327 -1.786 -5.434 1.00 0.00 C ATOM 858 C ILE A 56 3.406 -1.289 -6.904 1.00 0.00 C ATOM 859 O ILE A 56 3.515 -0.098 -7.158 1.00 0.00 O ATOM 860 CB ILE A 56 4.490 -1.254 -4.582 1.00 0.00 C ATOM 861 CG1 ILE A 56 5.762 -1.702 -5.251 1.00 0.00 C ATOM 862 CG2 ILE A 56 4.413 -1.797 -3.151 1.00 0.00 C ATOM 863 CD1 ILE A 56 7.045 -1.405 -4.514 1.00 0.00 C ATOM 0 H ILE A 56 3.959 -3.796 -5.271 1.00 0.00 H new ATOM 0 HA ILE A 56 2.432 -1.354 -4.987 1.00 0.00 H new ATOM 0 HB ILE A 56 4.449 -0.167 -4.511 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.702 -2.778 -5.414 1.00 0.00 H new ATOM 0 HG13 ILE A 56 5.815 -1.233 -6.234 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.247 -1.406 -2.568 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.474 -1.486 -2.694 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.464 -2.886 -3.172 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.891 -1.774 -5.093 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.143 -0.329 -4.374 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.028 -1.897 -3.542 1.00 0.00 H new ATOM 875 N SER A 57 3.395 -2.205 -7.848 1.00 0.00 N ATOM 876 CA SER A 57 3.278 -1.893 -9.267 1.00 0.00 C ATOM 877 C SER A 57 2.348 -2.918 -9.912 1.00 0.00 C ATOM 878 O SER A 57 2.764 -3.842 -10.629 1.00 0.00 O ATOM 879 CB SER A 57 4.631 -1.771 -9.975 1.00 0.00 C ATOM 880 OG SER A 57 5.395 -0.703 -9.416 1.00 0.00 O ATOM 0 H SER A 57 3.468 -3.204 -7.655 1.00 0.00 H new ATOM 0 HA SER A 57 2.841 -0.900 -9.377 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.182 -2.707 -9.882 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.476 -1.596 -11.040 1.00 0.00 H new ATOM 0 HG SER A 57 4.870 -0.254 -8.722 1.00 0.00 H new ATOM 886 N HIS A 58 1.082 -2.705 -9.581 1.00 0.00 N ATOM 887 CA HIS A 58 -0.097 -3.515 -9.818 1.00 0.00 C ATOM 888 C HIS A 58 -1.194 -3.079 -8.828 1.00 0.00 C ATOM 889 O HIS A 58 -2.010 -2.244 -9.199 1.00 0.00 O ATOM 890 CB HIS A 58 0.170 -5.046 -9.904 1.00 0.00 C ATOM 891 CG HIS A 58 -0.961 -5.989 -9.637 1.00 0.00 C ATOM 892 ND1 HIS A 58 -1.077 -6.591 -8.409 1.00 0.00 N ATOM 893 CD2 HIS A 58 -1.906 -6.484 -10.465 1.00 0.00 C ATOM 894 CE1 HIS A 58 -2.070 -7.437 -8.510 1.00 0.00 C ATOM 895 NE2 HIS A 58 -2.609 -7.417 -9.735 1.00 0.00 N ATOM 0 H HIS A 58 0.831 -1.854 -9.078 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.463 -3.324 -10.827 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.550 -5.260 -10.903 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.970 -5.282 -9.202 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -2.077 -6.204 -11.494 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -2.412 -8.072 -7.706 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -3.390 -7.984 -10.065 1.00 0.00 H new ATOM 903 N ALA A 59 -1.214 -3.484 -7.553 1.00 0.00 N ATOM 904 CA ALA A 59 -2.283 -3.276 -6.569 1.00 0.00 C ATOM 905 C ALA A 59 -2.218 -1.941 -5.896 1.00 0.00 C ATOM 906 O ALA A 59 -3.103 -1.093 -6.068 1.00 0.00 O ATOM 907 CB ALA A 59 -2.115 -4.340 -5.504 1.00 0.00 C ATOM 0 H ALA A 59 -0.430 -4.001 -7.154 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.238 -3.328 -7.091 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.891 -4.224 -4.748 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.197 -5.327 -5.960 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.136 -4.236 -5.037 1.00 0.00 H new ATOM 913 N LEU A 60 -1.170 -1.767 -5.127 1.00 0.00 N ATOM 914 CA LEU A 60 -0.957 -0.608 -4.349 1.00 0.00 C ATOM 915 C LEU A 60 -0.832 0.542 -5.268 1.00 0.00 C ATOM 916 O LEU A 60 -1.374 1.551 -5.021 1.00 0.00 O ATOM 917 CB LEU A 60 0.284 -0.767 -3.499 1.00 0.00 C ATOM 918 CG LEU A 60 0.293 0.073 -2.253 1.00 0.00 C ATOM 919 CD1 LEU A 60 -0.834 -0.390 -1.317 1.00 0.00 C ATOM 920 CD2 LEU A 60 1.639 -0.017 -1.560 1.00 0.00 C ATOM 0 H LEU A 60 -0.428 -2.461 -5.035 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.794 -0.444 -3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.385 -1.815 -3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.157 -0.513 -4.100 1.00 0.00 H new ATOM 0 HG LEU A 60 0.125 1.116 -2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.829 0.218 -0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.794 -0.281 -1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.680 -1.436 -1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.627 0.598 -0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.840 -1.053 -1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.419 0.340 -2.232 1.00 0.00 H new ATOM 932 N LYS A 61 -0.221 0.323 -6.393 1.00 0.00 N ATOM 933 CA LYS A 61 -0.047 1.374 -7.365 1.00 0.00 C ATOM 934 C LYS A 61 -1.423 1.810 -7.935 1.00 0.00 C ATOM 935 O LYS A 61 -1.612 2.983 -8.238 1.00 0.00 O ATOM 936 CB LYS A 61 0.925 0.877 -8.437 1.00 0.00 C ATOM 937 CG LYS A 61 1.748 1.935 -9.200 1.00 0.00 C ATOM 938 CD LYS A 61 0.922 2.887 -10.048 1.00 0.00 C ATOM 939 CE LYS A 61 -0.012 2.108 -10.940 1.00 0.00 C ATOM 940 NZ LYS A 61 -0.728 2.965 -11.915 1.00 0.00 N ATOM 0 H LYS A 61 0.170 -0.578 -6.667 1.00 0.00 H new ATOM 0 HA LYS A 61 0.383 2.266 -6.910 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.623 0.186 -7.964 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.355 0.304 -9.168 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.324 2.517 -8.480 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.464 1.424 -9.843 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.350 3.556 -9.405 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.579 3.511 -10.653 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.556 1.350 -11.479 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.740 1.581 -10.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.355 2.376 -12.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.294 3.673 -11.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.038 3.448 -12.525 1.00 0.00 H new ATOM 954 N SER A 62 -2.410 0.906 -8.005 1.00 0.00 N ATOM 955 CA SER A 62 -3.729 1.293 -8.488 1.00 0.00 C ATOM 956 C SER A 62 -4.459 2.115 -7.429 1.00 0.00 C ATOM 957 O SER A 62 -4.850 3.288 -7.627 1.00 0.00 O ATOM 958 CB SER A 62 -4.565 0.061 -8.858 1.00 0.00 C ATOM 959 OG SER A 62 -3.975 -0.643 -9.930 1.00 0.00 O ATOM 0 H SER A 62 -2.318 -0.074 -7.739 1.00 0.00 H new ATOM 0 HA SER A 62 -3.594 1.899 -9.384 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.656 -0.595 -7.993 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.574 0.370 -9.131 1.00 0.00 H new ATOM 0 HG SER A 62 -3.119 -1.022 -9.641 1.00 0.00 H new ATOM 965 N SER A 63 -4.561 1.501 -6.285 1.00 0.00 N ATOM 966 CA SER A 63 -5.237 1.994 -5.149 1.00 0.00 C ATOM 967 C SER A 63 -4.569 3.263 -4.622 1.00 0.00 C ATOM 968 O SER A 63 -5.240 4.171 -4.225 1.00 0.00 O ATOM 969 CB SER A 63 -5.242 0.846 -4.128 1.00 0.00 C ATOM 970 OG SER A 63 -5.987 -0.249 -4.630 1.00 0.00 O ATOM 0 H SER A 63 -4.143 0.585 -6.125 1.00 0.00 H new ATOM 0 HA SER A 63 -6.260 2.292 -5.378 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.220 0.533 -3.916 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.673 1.188 -3.187 1.00 0.00 H new ATOM 0 HG SER A 63 -5.983 -0.976 -3.973 1.00 0.00 H new ATOM 976 N ALA A 64 -3.254 3.293 -4.643 1.00 0.00 N ATOM 977 CA ALA A 64 -2.514 4.461 -4.150 1.00 0.00 C ATOM 978 C ALA A 64 -2.791 5.679 -4.996 1.00 0.00 C ATOM 979 O ALA A 64 -3.079 6.721 -4.490 1.00 0.00 O ATOM 980 CB ALA A 64 -1.017 4.232 -4.150 1.00 0.00 C ATOM 0 H ALA A 64 -2.668 2.534 -4.991 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.857 4.620 -3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.513 5.123 -3.777 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.779 3.385 -3.507 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.681 4.023 -5.166 1.00 0.00 H new ATOM 986 N ALA A 65 -2.810 5.496 -6.291 1.00 0.00 N ATOM 987 CA ALA A 65 -2.911 6.582 -7.267 1.00 0.00 C ATOM 988 C ALA A 65 -4.194 7.357 -7.050 1.00 0.00 C ATOM 989 O ALA A 65 -4.291 8.537 -7.376 1.00 0.00 O ATOM 990 CB ALA A 65 -2.863 6.026 -8.684 1.00 0.00 C ATOM 0 H ALA A 65 -2.755 4.572 -6.719 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.065 7.256 -7.131 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.939 6.845 -9.399 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.922 5.498 -8.836 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.694 5.336 -8.833 1.00 0.00 H new ATOM 996 N SER A 66 -5.176 6.673 -6.510 1.00 0.00 N ATOM 997 CA SER A 66 -6.392 7.323 -6.140 1.00 0.00 C ATOM 998 C SER A 66 -6.527 7.488 -4.608 1.00 0.00 C ATOM 999 O SER A 66 -6.596 8.601 -4.103 1.00 0.00 O ATOM 1000 CB SER A 66 -7.580 6.563 -6.729 1.00 0.00 C ATOM 1001 OG SER A 66 -7.444 6.452 -8.142 1.00 0.00 O ATOM 0 H SER A 66 -5.148 5.671 -6.321 1.00 0.00 H new ATOM 0 HA SER A 66 -6.377 8.332 -6.553 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.642 5.570 -6.284 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.508 7.080 -6.486 1.00 0.00 H new ATOM 0 HG SER A 66 -8.210 5.962 -8.507 1.00 0.00 H new ATOM 1007 N PHE A 67 -6.414 6.409 -3.861 1.00 0.00 N ATOM 1008 CA PHE A 67 -6.862 6.459 -2.451 1.00 0.00 C ATOM 1009 C PHE A 67 -5.679 6.483 -1.445 1.00 0.00 C ATOM 1010 O PHE A 67 -5.773 6.079 -0.290 1.00 0.00 O ATOM 1011 CB PHE A 67 -7.812 5.284 -2.194 1.00 0.00 C ATOM 1012 CG PHE A 67 -8.881 5.093 -3.248 1.00 0.00 C ATOM 1013 CD1 PHE A 67 -10.018 5.882 -3.253 1.00 0.00 C ATOM 1014 CD2 PHE A 67 -8.749 4.111 -4.221 1.00 0.00 C ATOM 1015 CE1 PHE A 67 -11.003 5.697 -4.206 1.00 0.00 C ATOM 1016 CE2 PHE A 67 -9.727 3.923 -5.174 1.00 0.00 C ATOM 1017 CZ PHE A 67 -10.855 4.716 -5.168 1.00 0.00 C ATOM 0 H PHE A 67 -6.035 5.514 -4.172 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.393 7.397 -2.287 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -7.225 4.369 -2.122 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -8.295 5.430 -1.228 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -10.137 6.651 -2.504 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -7.868 3.486 -4.231 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -11.886 6.318 -4.198 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -9.610 3.155 -5.925 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.622 4.571 -5.914 1.00 0.00 H new ATOM 1027 N GLY A 68 -4.612 7.044 -1.916 1.00 0.00 N ATOM 1028 CA GLY A 68 -3.373 7.173 -1.142 1.00 0.00 C ATOM 1029 C GLY A 68 -2.331 7.800 -2.011 1.00 0.00 C ATOM 1030 O GLY A 68 -1.166 7.442 -2.047 1.00 0.00 O ATOM 0 H GLY A 68 -4.554 7.436 -2.856 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.543 7.783 -0.255 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.039 6.195 -0.797 1.00 0.00 H new ATOM 1034 N ALA A 69 -2.797 8.775 -2.682 1.00 0.00 N ATOM 1035 CA ALA A 69 -1.935 9.410 -3.651 1.00 0.00 C ATOM 1036 C ALA A 69 -0.989 10.435 -3.004 1.00 0.00 C ATOM 1037 O ALA A 69 -0.660 11.452 -3.604 1.00 0.00 O ATOM 1038 CB ALA A 69 -2.742 10.014 -4.791 1.00 0.00 C ATOM 0 H ALA A 69 -3.738 9.159 -2.600 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.298 8.634 -4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.067 10.485 -5.505 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.309 9.229 -5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.429 10.761 -4.394 1.00 0.00 H new ATOM 1044 N ASP A 70 -0.503 10.130 -1.810 1.00 0.00 N ATOM 1045 CA ASP A 70 0.345 11.061 -1.091 1.00 0.00 C ATOM 1046 C ASP A 70 1.699 10.451 -0.831 1.00 0.00 C ATOM 1047 O ASP A 70 2.573 10.405 -1.721 1.00 0.00 O ATOM 1048 CB ASP A 70 -0.253 11.600 0.211 1.00 0.00 C ATOM 1049 CG ASP A 70 -1.328 12.633 0.000 1.00 0.00 C ATOM 1050 OD1 ASP A 70 -1.182 13.494 -0.887 1.00 0.00 O ATOM 1051 OD2 ASP A 70 -2.356 12.590 0.687 1.00 0.00 O ATOM 0 H ASP A 70 -0.681 9.251 -1.324 1.00 0.00 H new ATOM 0 HA ASP A 70 0.441 11.926 -1.747 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.667 10.769 0.782 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.544 12.035 0.814 1.00 0.00 H new ATOM 1056 N ARG A 71 1.878 9.753 0.275 1.00 0.00 N ATOM 1057 CA ARG A 71 3.083 9.230 0.835 1.00 0.00 C ATOM 1058 C ARG A 71 3.284 7.800 0.521 1.00 0.00 C ATOM 1059 O ARG A 71 4.244 7.467 -0.084 1.00 0.00 O ATOM 1060 CB ARG A 71 3.049 9.420 2.345 1.00 0.00 C ATOM 1061 CG ARG A 71 3.533 10.762 2.855 1.00 0.00 C ATOM 1062 CD ARG A 71 2.821 11.986 2.280 1.00 0.00 C ATOM 1063 NE ARG A 71 3.384 13.226 2.834 1.00 0.00 N ATOM 1064 CZ ARG A 71 3.983 14.209 2.134 1.00 0.00 C ATOM 1065 NH1 ARG A 71 3.949 14.229 0.810 1.00 0.00 N ATOM 1066 NH2 ARG A 71 4.566 15.214 2.768 1.00 0.00 N ATOM 0 H ARG A 71 1.078 9.519 0.862 1.00 0.00 H new ATOM 0 HA ARG A 71 3.917 9.774 0.393 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.025 9.271 2.687 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.655 8.639 2.804 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.425 10.778 3.940 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.598 10.849 2.639 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.917 11.991 1.194 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.756 11.932 2.506 1.00 0.00 H new ATOM 0 HE ARG A 71 3.315 13.354 3.844 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.463 13.491 0.301 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.409 14.983 0.299 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.562 15.245 3.788 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.019 15.958 2.237 1.00 0.00 H new ATOM 1080 N LEU A 72 2.345 6.967 0.906 1.00 0.00 N ATOM 1081 CA LEU A 72 2.435 5.521 0.609 1.00 0.00 C ATOM 1082 C LEU A 72 2.730 5.322 -0.881 1.00 0.00 C ATOM 1083 O LEU A 72 3.474 4.454 -1.271 1.00 0.00 O ATOM 1084 CB LEU A 72 1.161 4.732 1.065 1.00 0.00 C ATOM 1085 CG LEU A 72 -0.222 5.106 0.479 1.00 0.00 C ATOM 1086 CD1 LEU A 72 -0.554 6.547 0.669 1.00 0.00 C ATOM 1087 CD2 LEU A 72 -0.392 4.645 -0.944 1.00 0.00 C ATOM 0 H LEU A 72 1.510 7.244 1.422 1.00 0.00 H new ATOM 0 HA LEU A 72 3.258 5.105 1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.334 3.679 0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.091 4.824 2.149 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.960 4.552 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.534 6.754 0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.568 6.780 1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.197 7.162 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.379 4.934 -1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.372 5.106 -1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.292 3.561 -0.990 1.00 0.00 H new ATOM 1099 N CYS A 73 2.260 6.286 -1.637 1.00 0.00 N ATOM 1100 CA CYS A 73 2.386 6.180 -3.059 1.00 0.00 C ATOM 1101 C CYS A 73 3.854 6.299 -3.487 1.00 0.00 C ATOM 1102 O CYS A 73 4.449 5.322 -3.943 1.00 0.00 O ATOM 1103 CB CYS A 73 1.442 7.142 -3.786 1.00 0.00 C ATOM 1104 SG CYS A 73 1.601 7.206 -5.585 1.00 0.00 S ATOM 0 H CYS A 73 1.799 7.130 -1.297 1.00 0.00 H new ATOM 0 HA CYS A 73 2.064 5.185 -3.365 1.00 0.00 H new ATOM 0 HB2 CYS A 73 0.416 6.866 -3.542 1.00 0.00 H new ATOM 0 HB3 CYS A 73 1.604 8.145 -3.392 1.00 0.00 H new ATOM 0 HG CYS A 73 0.743 8.056 -6.066 1.00 0.00 H new ATOM 1110 N GLU A 74 4.508 7.413 -3.200 1.00 0.00 N ATOM 1111 CA GLU A 74 5.889 7.546 -3.705 1.00 0.00 C ATOM 1112 C GLU A 74 6.881 7.497 -2.583 1.00 0.00 C ATOM 1113 O GLU A 74 7.998 6.959 -2.704 1.00 0.00 O ATOM 1114 CB GLU A 74 6.075 8.815 -4.531 1.00 0.00 C ATOM 1115 CG GLU A 74 7.494 9.001 -5.063 1.00 0.00 C ATOM 1116 CD GLU A 74 7.875 8.007 -6.145 1.00 0.00 C ATOM 1117 OE1 GLU A 74 7.882 6.785 -5.909 1.00 0.00 O ATOM 1118 OE2 GLU A 74 8.152 8.446 -7.276 1.00 0.00 O ATOM 0 H GLU A 74 4.147 8.198 -2.658 1.00 0.00 H new ATOM 0 HA GLU A 74 6.070 6.696 -4.363 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.381 8.795 -5.372 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.810 9.678 -3.920 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.595 10.012 -5.459 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.198 8.911 -4.235 1.00 0.00 H new ATOM 1125 N ARG A 75 6.418 7.988 -1.478 1.00 0.00 N ATOM 1126 CA ARG A 75 7.227 8.135 -0.324 1.00 0.00 C ATOM 1127 C ARG A 75 7.348 6.743 0.291 1.00 0.00 C ATOM 1128 O ARG A 75 8.286 6.459 0.969 1.00 0.00 O ATOM 1129 CB ARG A 75 6.536 9.157 0.593 1.00 0.00 C ATOM 1130 CG ARG A 75 7.070 9.359 2.000 1.00 0.00 C ATOM 1131 CD ARG A 75 6.708 8.206 2.933 1.00 0.00 C ATOM 1132 NE ARG A 75 7.245 8.397 4.288 1.00 0.00 N ATOM 1133 CZ ARG A 75 6.585 8.204 5.445 1.00 0.00 C ATOM 1134 NH1 ARG A 75 5.335 7.736 5.456 1.00 0.00 N ATOM 1135 NH2 ARG A 75 7.201 8.454 6.592 1.00 0.00 N ATOM 0 H ARG A 75 5.455 8.300 -1.356 1.00 0.00 H new ATOM 0 HA ARG A 75 8.232 8.509 -0.521 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.562 10.123 0.089 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.488 8.869 0.676 1.00 0.00 H new ATOM 0 HG2 ARG A 75 8.154 9.465 1.962 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.673 10.289 2.406 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.623 8.110 2.984 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.092 7.273 2.520 1.00 0.00 H new ATOM 0 HE ARG A 75 8.214 8.707 4.358 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.864 7.518 4.578 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.851 7.596 6.343 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.165 8.789 6.591 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.711 8.312 7.475 1.00 0.00 H new ATOM 1149 N ALA A 76 6.396 5.853 0.067 1.00 0.00 N ATOM 1150 CA ALA A 76 6.647 4.537 0.538 1.00 0.00 C ATOM 1151 C ALA A 76 7.469 3.908 -0.519 1.00 0.00 C ATOM 1152 O ALA A 76 8.581 3.671 -0.277 1.00 0.00 O ATOM 1153 CB ALA A 76 5.396 3.746 0.829 1.00 0.00 C ATOM 0 H ALA A 76 5.507 6.015 -0.406 1.00 0.00 H new ATOM 0 HA ALA A 76 7.156 4.563 1.502 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.668 2.752 1.184 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.812 4.257 1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.802 3.656 -0.081 1.00 0.00 H new ATOM 1159 N ILE A 77 6.904 3.879 -1.717 1.00 0.00 N ATOM 1160 CA ILE A 77 7.619 3.161 -2.808 1.00 0.00 C ATOM 1161 C ILE A 77 9.153 3.396 -2.856 1.00 0.00 C ATOM 1162 O ILE A 77 9.931 2.493 -2.433 1.00 0.00 O ATOM 1163 CB ILE A 77 6.894 3.263 -4.189 1.00 0.00 C ATOM 1164 CG1 ILE A 77 5.705 2.282 -4.241 1.00 0.00 C ATOM 1165 CG2 ILE A 77 7.831 2.932 -5.350 1.00 0.00 C ATOM 1166 CD1 ILE A 77 4.937 2.142 -2.949 1.00 0.00 C ATOM 0 H ILE A 77 6.013 4.307 -1.968 1.00 0.00 H new ATOM 0 HA ILE A 77 7.553 2.108 -2.534 1.00 0.00 H new ATOM 0 HB ILE A 77 6.551 4.293 -4.290 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.018 2.609 -5.021 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.076 1.300 -4.534 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.287 3.015 -6.291 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.668 3.630 -5.352 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.206 1.915 -5.236 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.122 1.432 -3.086 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.605 1.782 -2.166 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.530 3.111 -2.661 1.00 0.00 H new ATOM 1178 N ALA A 78 9.610 4.556 -3.346 1.00 0.00 N ATOM 1179 CA ALA A 78 11.049 4.818 -3.263 1.00 0.00 C ATOM 1180 C ALA A 78 11.661 4.753 -1.879 1.00 0.00 C ATOM 1181 O ALA A 78 12.782 4.262 -1.724 1.00 0.00 O ATOM 1182 CB ALA A 78 11.379 6.145 -3.933 1.00 0.00 C ATOM 0 H ALA A 78 9.044 5.286 -3.778 1.00 0.00 H new ATOM 0 HA ALA A 78 11.511 3.987 -3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.451 6.330 -3.866 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.083 6.107 -4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.840 6.949 -3.432 1.00 0.00 H new ATOM 1188 N ILE A 79 10.919 5.138 -0.866 1.00 0.00 N ATOM 1189 CA ILE A 79 11.526 5.361 0.418 1.00 0.00 C ATOM 1190 C ILE A 79 11.320 4.154 1.342 1.00 0.00 C ATOM 1191 O ILE A 79 11.860 4.079 2.478 1.00 0.00 O ATOM 1192 CB ILE A 79 10.968 6.658 0.966 1.00 0.00 C ATOM 1193 CG1 ILE A 79 11.082 7.733 -0.121 1.00 0.00 C ATOM 1194 CG2 ILE A 79 11.656 7.099 2.231 1.00 0.00 C ATOM 1195 CD1 ILE A 79 12.499 8.152 -0.473 1.00 0.00 C ATOM 0 H ILE A 79 9.913 5.300 -0.907 1.00 0.00 H new ATOM 0 HA ILE A 79 12.608 5.461 0.335 1.00 0.00 H new ATOM 0 HB ILE A 79 9.924 6.498 1.234 1.00 0.00 H new ATOM 0 HG12 ILE A 79 10.594 7.366 -1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 79 10.530 8.615 0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.215 8.033 2.578 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.534 6.334 2.997 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.717 7.250 2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.470 8.915 -1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.990 8.555 0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 79 13.055 7.287 -0.834 1.00 0.00 H new ATOM 1207 N ASP A 80 10.901 3.081 0.691 1.00 0.00 N ATOM 1208 CA ASP A 80 10.633 1.840 1.312 1.00 0.00 C ATOM 1209 C ASP A 80 11.796 1.072 1.208 1.00 0.00 C ATOM 1210 O ASP A 80 12.553 1.020 2.180 1.00 0.00 O ATOM 1211 CB ASP A 80 9.460 1.121 0.613 1.00 0.00 C ATOM 1212 CG ASP A 80 8.828 0.025 1.421 1.00 0.00 C ATOM 1213 OD1 ASP A 80 9.312 -1.122 1.391 1.00 0.00 O ATOM 1214 OD2 ASP A 80 7.815 0.313 2.103 1.00 0.00 O ATOM 0 H ASP A 80 10.740 3.073 -0.316 1.00 0.00 H new ATOM 0 HA ASP A 80 10.351 1.988 2.354 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.696 1.858 0.364 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.817 0.701 -0.328 1.00 0.00 H new ATOM 1219 N LYS A 81 12.030 0.644 -0.027 1.00 0.00 N ATOM 1220 CA LYS A 81 13.097 -0.239 -0.283 1.00 0.00 C ATOM 1221 C LYS A 81 14.361 0.375 0.304 1.00 0.00 C ATOM 1222 O LYS A 81 14.943 -0.220 1.217 1.00 0.00 O ATOM 1223 CB LYS A 81 13.204 -0.644 -1.781 1.00 0.00 C ATOM 1224 CG LYS A 81 13.921 0.325 -2.715 1.00 0.00 C ATOM 1225 CD LYS A 81 13.088 1.523 -3.117 1.00 0.00 C ATOM 1226 CE LYS A 81 12.031 1.153 -4.141 1.00 0.00 C ATOM 1227 NZ LYS A 81 12.632 0.733 -5.432 1.00 0.00 N ATOM 0 H LYS A 81 11.482 0.908 -0.846 1.00 0.00 H new ATOM 0 HA LYS A 81 12.922 -1.196 0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 81 13.714 -1.606 -1.835 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.194 -0.797 -2.163 1.00 0.00 H new ATOM 0 HG2 LYS A 81 14.832 0.675 -2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.225 -0.211 -3.614 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.608 1.945 -2.234 1.00 0.00 H new ATOM 0 HD3 LYS A 81 13.737 2.297 -3.527 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.413 0.345 -3.749 1.00 0.00 H new ATOM 0 HE3 LYS A 81 11.373 2.006 -4.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.923 0.815 -6.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.445 1.344 -5.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.950 -0.255 -5.362 1.00 0.00 H new ATOM 1241 N LYS A 82 14.690 1.633 -0.127 1.00 0.00 N ATOM 1242 CA LYS A 82 15.872 2.303 0.395 1.00 0.00 C ATOM 1243 C LYS A 82 16.161 2.159 1.877 1.00 0.00 C ATOM 1244 O LYS A 82 17.150 1.496 2.246 1.00 0.00 O ATOM 1245 CB LYS A 82 16.188 3.683 -0.218 1.00 0.00 C ATOM 1246 CG LYS A 82 15.151 4.783 -0.079 1.00 0.00 C ATOM 1247 CD LYS A 82 14.991 5.326 1.327 1.00 0.00 C ATOM 1248 CE LYS A 82 16.272 5.954 1.867 1.00 0.00 C ATOM 1249 NZ LYS A 82 16.763 7.079 1.035 1.00 0.00 N ATOM 0 H LYS A 82 14.158 2.169 -0.813 1.00 0.00 H new ATOM 0 HA LYS A 82 16.654 1.667 -0.020 1.00 0.00 H new ATOM 0 HB2 LYS A 82 17.116 4.041 0.228 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.381 3.539 -1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.421 5.604 -0.743 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.188 4.401 -0.419 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.195 6.071 1.336 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.680 4.519 1.990 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.095 6.310 2.882 1.00 0.00 H new ATOM 0 HE3 LYS A 82 17.047 5.190 1.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.575 7.529 1.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.056 6.720 0.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.003 7.778 0.913 1.00 0.00 H new ATOM 1263 N ALA A 83 15.269 2.425 2.780 1.00 0.00 N ATOM 1264 CA ALA A 83 15.707 2.433 4.127 1.00 0.00 C ATOM 1265 C ALA A 83 14.692 1.862 4.966 1.00 0.00 C ATOM 1266 O ALA A 83 15.031 1.191 5.873 1.00 0.00 O ATOM 1267 CB ALA A 83 16.105 3.815 4.624 1.00 0.00 C ATOM 0 H ALA A 83 14.283 2.629 2.617 1.00 0.00 H new ATOM 0 HA ALA A 83 16.612 1.828 4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.430 3.749 5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 83 16.921 4.201 4.012 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.250 4.487 4.554 1.00 0.00 H new ATOM 1273 N LYS A 84 13.450 2.219 4.719 1.00 0.00 N ATOM 1274 CA LYS A 84 12.417 1.569 5.476 1.00 0.00 C ATOM 1275 C LYS A 84 12.623 0.036 5.408 1.00 0.00 C ATOM 1276 O LYS A 84 12.536 -0.634 6.433 1.00 0.00 O ATOM 1277 CB LYS A 84 11.008 2.064 5.039 1.00 0.00 C ATOM 1278 CG LYS A 84 10.045 1.025 4.478 1.00 0.00 C ATOM 1279 CD LYS A 84 9.535 0.049 5.534 1.00 0.00 C ATOM 1280 CE LYS A 84 8.659 -1.035 4.917 1.00 0.00 C ATOM 1281 NZ LYS A 84 7.342 -0.538 4.476 1.00 0.00 N ATOM 0 H LYS A 84 13.147 2.916 4.039 1.00 0.00 H new ATOM 0 HA LYS A 84 12.483 1.840 6.530 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.533 2.533 5.901 1.00 0.00 H new ATOM 0 HB3 LYS A 84 11.142 2.841 4.286 1.00 0.00 H new ATOM 0 HG2 LYS A 84 9.196 1.534 4.022 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.544 0.466 3.686 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.381 -0.412 6.044 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.966 0.592 6.288 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.179 -1.472 4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.514 -1.833 5.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.606 -1.226 4.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.143 0.373 4.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.347 -0.411 3.444 1.00 0.00 H new ATOM 1295 N ALA A 85 12.990 -0.510 4.244 1.00 0.00 N ATOM 1296 CA ALA A 85 13.195 -1.920 4.121 1.00 0.00 C ATOM 1297 C ALA A 85 14.589 -2.329 4.532 1.00 0.00 C ATOM 1298 O ALA A 85 14.750 -3.403 5.170 1.00 0.00 O ATOM 1299 CB ALA A 85 12.999 -2.319 2.687 1.00 0.00 C ATOM 0 H ALA A 85 13.146 0.019 3.386 1.00 0.00 H new ATOM 0 HA ALA A 85 12.480 -2.415 4.778 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.153 -3.393 2.584 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.986 -2.066 2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.715 -1.788 2.060 1.00 0.00 H new ATOM 1305 N ASN A 86 15.610 -1.489 4.261 1.00 0.00 N ATOM 1306 CA ASN A 86 16.931 -1.897 4.696 1.00 0.00 C ATOM 1307 C ASN A 86 17.070 -1.787 6.209 1.00 0.00 C ATOM 1308 O ASN A 86 17.918 -2.440 6.814 1.00 0.00 O ATOM 1309 CB ASN A 86 17.969 -1.045 4.012 1.00 0.00 C ATOM 1310 CG ASN A 86 19.337 -1.704 3.897 1.00 0.00 C ATOM 1311 OD1 ASN A 86 19.364 -3.017 3.691 1.00 0.00 O flip ATOM 1312 ND2 ASN A 86 20.366 -1.028 3.932 1.00 0.00 N flip ATOM 0 H ASN A 86 15.544 -0.593 3.779 1.00 0.00 H new ATOM 0 HA ASN A 86 17.080 -2.942 4.424 1.00 0.00 H new ATOM 0 HB2 ASN A 86 17.615 -0.792 3.013 1.00 0.00 H new ATOM 0 HB3 ASN A 86 18.074 -0.109 4.560 1.00 0.00 H new ATOM 0 HD21 ASN A 86 20.310 -0.022 4.092 1.00 0.00 H new ATOM 0 HD22 ASN A 86 21.274 -1.474 3.801 1.00 0.00 H new ATOM 1319 N GLN A 87 16.229 -0.965 6.810 1.00 0.00 N ATOM 1320 CA GLN A 87 16.247 -0.728 8.232 1.00 0.00 C ATOM 1321 C GLN A 87 15.628 -1.878 8.962 1.00 0.00 C ATOM 1322 O GLN A 87 16.079 -2.216 10.047 1.00 0.00 O ATOM 1323 CB GLN A 87 15.487 0.571 8.573 1.00 0.00 C ATOM 1324 CG GLN A 87 15.766 1.175 9.935 1.00 0.00 C ATOM 1325 CD GLN A 87 14.705 0.931 11.020 1.00 0.00 C ATOM 1326 OE1 GLN A 87 13.998 -0.169 10.975 1.00 0.00 O flip ATOM 1327 NE2 GLN A 87 14.537 1.753 11.916 1.00 0.00 N flip ATOM 0 H GLN A 87 15.509 -0.440 6.314 1.00 0.00 H new ATOM 0 HA GLN A 87 17.286 -0.625 8.546 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.725 1.316 7.813 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.418 0.371 8.500 1.00 0.00 H new ATOM 0 HG2 GLN A 87 16.718 0.784 10.294 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.889 2.251 9.813 1.00 0.00 H new ATOM 0 HE21 GLN A 87 15.096 2.606 11.937 1.00 0.00 H new ATOM 0 HE22 GLN A 87 13.838 1.583 12.639 1.00 0.00 H new ATOM 1336 N LEU A 88 14.568 -2.472 8.422 1.00 0.00 N ATOM 1337 CA LEU A 88 13.812 -3.570 8.978 1.00 0.00 C ATOM 1338 C LEU A 88 14.673 -4.775 9.273 1.00 0.00 C ATOM 1339 O LEU A 88 15.023 -5.054 10.425 1.00 0.00 O ATOM 1340 CB LEU A 88 12.687 -3.988 7.988 1.00 0.00 C ATOM 1341 CG LEU A 88 11.506 -3.043 7.822 1.00 0.00 C ATOM 1342 CD1 LEU A 88 10.476 -3.665 6.903 1.00 0.00 C ATOM 1343 CD2 LEU A 88 10.881 -2.677 9.163 1.00 0.00 C ATOM 0 H LEU A 88 14.195 -2.171 7.521 1.00 0.00 H new ATOM 0 HA LEU A 88 13.389 -3.220 9.920 1.00 0.00 H new ATOM 0 HB2 LEU A 88 13.140 -4.135 7.008 1.00 0.00 H new ATOM 0 HB3 LEU A 88 12.300 -4.955 8.308 1.00 0.00 H new ATOM 0 HG LEU A 88 11.873 -2.119 7.376 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.633 -2.984 6.788 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.925 -3.854 5.928 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.127 -4.605 7.331 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.041 -2.001 9.001 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.528 -3.581 9.659 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.626 -2.187 9.790 1.00 0.00 H new ATOM 1355 N GLN A 89 14.955 -5.509 8.227 1.00 0.00 N ATOM 1356 CA GLN A 89 15.669 -6.757 8.264 1.00 0.00 C ATOM 1357 C GLN A 89 17.091 -6.488 8.599 1.00 0.00 C ATOM 1358 O GLN A 89 17.656 -5.496 8.143 1.00 0.00 O ATOM 1359 CB GLN A 89 15.628 -7.377 6.891 1.00 0.00 C ATOM 1360 CG GLN A 89 14.299 -7.183 6.239 1.00 0.00 C ATOM 1361 CD GLN A 89 14.209 -7.809 4.897 1.00 0.00 C ATOM 1362 OE1 GLN A 89 14.784 -8.843 4.611 1.00 0.00 O ATOM 1363 NE2 GLN A 89 13.545 -7.133 4.046 1.00 0.00 N ATOM 0 H GLN A 89 14.679 -5.239 7.283 1.00 0.00 H new ATOM 0 HA GLN A 89 15.218 -7.419 9.003 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.407 -6.936 6.269 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.845 -8.443 6.966 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.523 -7.600 6.880 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.098 -6.115 6.149 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.079 -6.272 4.331 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.479 -7.453 3.080 1.00 0.00 H new ATOM 1372 N GLU A 90 17.697 -7.368 9.332 1.00 0.00 N ATOM 1373 CA GLU A 90 19.070 -7.188 9.683 1.00 0.00 C ATOM 1374 C GLU A 90 19.867 -7.944 8.620 1.00 0.00 C ATOM 1375 O GLU A 90 21.085 -7.836 8.516 1.00 0.00 O ATOM 1376 CB GLU A 90 19.305 -7.780 11.071 1.00 0.00 C ATOM 1377 CG GLU A 90 18.487 -7.100 12.157 1.00 0.00 C ATOM 1378 CD GLU A 90 18.507 -7.844 13.469 1.00 0.00 C ATOM 1379 OE1 GLU A 90 19.531 -7.830 14.166 1.00 0.00 O ATOM 1380 OE2 GLU A 90 17.472 -8.444 13.836 1.00 0.00 O ATOM 0 H GLU A 90 17.264 -8.216 9.698 1.00 0.00 H new ATOM 0 HA GLU A 90 19.367 -6.140 9.717 1.00 0.00 H new ATOM 0 HB2 GLU A 90 19.061 -8.842 11.052 1.00 0.00 H new ATOM 0 HB3 GLU A 90 20.364 -7.701 11.319 1.00 0.00 H new ATOM 0 HG2 GLU A 90 18.869 -6.091 12.313 1.00 0.00 H new ATOM 0 HG3 GLU A 90 17.456 -7.001 11.818 1.00 0.00 H new ATOM 1387 N GLN A 91 19.105 -8.698 7.810 1.00 0.00 N ATOM 1388 CA GLN A 91 19.646 -9.525 6.752 1.00 0.00 C ATOM 1389 C GLN A 91 19.938 -8.691 5.512 1.00 0.00 C ATOM 1390 O GLN A 91 20.517 -9.192 4.545 1.00 0.00 O ATOM 1391 CB GLN A 91 18.644 -10.623 6.377 1.00 0.00 C ATOM 1392 CG GLN A 91 17.993 -11.329 7.560 1.00 0.00 C ATOM 1393 CD GLN A 91 18.976 -11.921 8.551 1.00 0.00 C ATOM 1394 OE1 GLN A 91 20.079 -12.324 8.202 1.00 0.00 O ATOM 1395 NE2 GLN A 91 18.583 -11.963 9.802 1.00 0.00 N ATOM 0 H GLN A 91 18.089 -8.741 7.883 1.00 0.00 H new ATOM 0 HA GLN A 91 20.572 -9.971 7.116 1.00 0.00 H new ATOM 0 HB2 GLN A 91 17.861 -10.184 5.759 1.00 0.00 H new ATOM 0 HB3 GLN A 91 19.154 -11.367 5.765 1.00 0.00 H new ATOM 0 HG2 GLN A 91 17.351 -10.620 8.083 1.00 0.00 H new ATOM 0 HG3 GLN A 91 17.350 -12.125 7.184 1.00 0.00 H new ATOM 0 HE21 GLN A 91 17.658 -11.619 10.058 1.00 0.00 H new ATOM 0 HE22 GLN A 91 19.203 -12.340 10.519 1.00 0.00 H new ATOM 1404 N GLY A 92 19.562 -7.418 5.530 1.00 0.00 N ATOM 1405 CA GLY A 92 19.783 -6.581 4.383 1.00 0.00 C ATOM 1406 C GLY A 92 18.757 -6.759 3.288 1.00 0.00 C ATOM 1407 O GLY A 92 19.119 -7.139 2.192 1.00 0.00 O ATOM 0 H GLY A 92 19.110 -6.958 6.320 1.00 0.00 H new ATOM 0 HA2 GLY A 92 19.783 -5.538 4.701 1.00 0.00 H new ATOM 0 HA3 GLY A 92 20.773 -6.791 3.978 1.00 0.00 H new ATOM 1411 N MET A 93 17.484 -6.463 3.600 1.00 0.00 N ATOM 1412 CA MET A 93 16.345 -6.431 2.647 1.00 0.00 C ATOM 1413 C MET A 93 16.327 -7.571 1.602 1.00 0.00 C ATOM 1414 O MET A 93 16.952 -7.478 0.535 1.00 0.00 O ATOM 1415 CB MET A 93 16.105 -5.030 2.042 1.00 0.00 C ATOM 1416 CG MET A 93 17.236 -4.447 1.209 1.00 0.00 C ATOM 1417 SD MET A 93 16.848 -2.787 0.621 1.00 0.00 S ATOM 1418 CE MET A 93 18.346 -2.379 -0.270 1.00 0.00 C ATOM 0 H MET A 93 17.203 -6.231 4.553 1.00 0.00 H new ATOM 0 HA MET A 93 15.474 -6.646 3.266 1.00 0.00 H new ATOM 0 HB2 MET A 93 15.212 -5.076 1.419 1.00 0.00 H new ATOM 0 HB3 MET A 93 15.890 -4.339 2.857 1.00 0.00 H new ATOM 0 HG2 MET A 93 18.148 -4.418 1.805 1.00 0.00 H new ATOM 0 HG3 MET A 93 17.433 -5.098 0.357 1.00 0.00 H new ATOM 0 HE1 MET A 93 18.257 -1.378 -0.692 1.00 0.00 H new ATOM 0 HE2 MET A 93 19.195 -2.411 0.412 1.00 0.00 H new ATOM 0 HE3 MET A 93 18.499 -3.100 -1.073 1.00 0.00 H new ATOM 1428 N GLU A 94 15.589 -8.650 1.899 1.00 0.00 N ATOM 1429 CA GLU A 94 15.627 -9.807 1.029 1.00 0.00 C ATOM 1430 C GLU A 94 14.290 -10.589 0.978 1.00 0.00 C ATOM 1431 O GLU A 94 14.195 -11.588 0.258 1.00 0.00 O ATOM 1432 CB GLU A 94 16.755 -10.749 1.479 1.00 0.00 C ATOM 1433 CG GLU A 94 16.424 -11.590 2.701 1.00 0.00 C ATOM 1434 CD GLU A 94 17.402 -12.721 2.888 1.00 0.00 C ATOM 1435 OE1 GLU A 94 17.184 -13.811 2.306 1.00 0.00 O ATOM 1436 OE2 GLU A 94 18.403 -12.541 3.594 1.00 0.00 O ATOM 0 H GLU A 94 14.979 -8.735 2.712 1.00 0.00 H new ATOM 0 HA GLU A 94 15.809 -9.434 0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 94 17.007 -11.414 0.653 1.00 0.00 H new ATOM 0 HB3 GLU A 94 17.644 -10.155 1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 94 16.427 -10.957 3.589 1.00 0.00 H new ATOM 0 HG3 GLU A 94 15.417 -11.994 2.601 1.00 0.00 H new ATOM 1443 N THR A 95 13.234 -10.097 1.650 1.00 0.00 N ATOM 1444 CA THR A 95 11.993 -10.887 1.776 1.00 0.00 C ATOM 1445 C THR A 95 10.974 -10.244 2.741 1.00 0.00 C ATOM 1446 O THR A 95 9.810 -10.029 2.395 1.00 0.00 O ATOM 1447 CB THR A 95 12.275 -12.383 2.219 1.00 0.00 C ATOM 1448 OG1 THR A 95 11.064 -13.150 2.247 1.00 0.00 O ATOM 1449 CG2 THR A 95 12.951 -12.486 3.589 1.00 0.00 C ATOM 0 H THR A 95 13.211 -9.183 2.103 1.00 0.00 H new ATOM 0 HA THR A 95 11.556 -10.897 0.777 1.00 0.00 H new ATOM 0 HB THR A 95 12.959 -12.785 1.472 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.133 -13.894 1.613 1.00 0.00 H new ATOM 0 HG21 THR A 95 13.117 -13.535 3.835 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.907 -11.964 3.563 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.311 -12.033 4.346 1.00 0.00 H new ATOM 1457 N SER A 96 11.445 -9.843 3.904 1.00 0.00 N ATOM 1458 CA SER A 96 10.578 -9.495 5.007 1.00 0.00 C ATOM 1459 C SER A 96 9.986 -8.100 4.877 1.00 0.00 C ATOM 1460 O SER A 96 9.010 -7.780 5.530 1.00 0.00 O ATOM 1461 CB SER A 96 11.386 -9.622 6.285 1.00 0.00 C ATOM 1462 OG SER A 96 10.571 -9.745 7.435 1.00 0.00 O ATOM 0 H SER A 96 12.440 -9.750 4.110 1.00 0.00 H new ATOM 0 HA SER A 96 9.726 -10.175 5.014 1.00 0.00 H new ATOM 0 HB2 SER A 96 12.039 -10.492 6.212 1.00 0.00 H new ATOM 0 HB3 SER A 96 12.029 -8.749 6.392 1.00 0.00 H new ATOM 0 HG SER A 96 11.138 -9.825 8.230 1.00 0.00 H new ATOM 1468 N GLU A 97 10.543 -7.294 4.009 1.00 0.00 N ATOM 1469 CA GLU A 97 10.069 -5.942 3.831 1.00 0.00 C ATOM 1470 C GLU A 97 8.874 -6.001 2.926 1.00 0.00 C ATOM 1471 O GLU A 97 7.915 -5.278 3.066 1.00 0.00 O ATOM 1472 CB GLU A 97 11.159 -5.036 3.223 1.00 0.00 C ATOM 1473 CG GLU A 97 11.541 -5.273 1.741 1.00 0.00 C ATOM 1474 CD GLU A 97 12.332 -6.536 1.510 1.00 0.00 C ATOM 1475 OE1 GLU A 97 11.812 -7.627 1.741 1.00 0.00 O ATOM 1476 OE2 GLU A 97 13.508 -6.463 1.198 1.00 0.00 O ATOM 0 H GLU A 97 11.329 -7.551 3.411 1.00 0.00 H new ATOM 0 HA GLU A 97 9.805 -5.513 4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.832 -4.001 3.325 1.00 0.00 H new ATOM 0 HB3 GLU A 97 12.061 -5.145 3.825 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.631 -5.311 1.143 1.00 0.00 H new ATOM 0 HG3 GLU A 97 12.121 -4.422 1.385 1.00 0.00 H new ATOM 1483 N MET A 98 8.994 -6.857 1.976 1.00 0.00 N ATOM 1484 CA MET A 98 7.992 -7.161 0.995 1.00 0.00 C ATOM 1485 C MET A 98 6.796 -7.808 1.688 1.00 0.00 C ATOM 1486 O MET A 98 5.666 -7.413 1.470 1.00 0.00 O ATOM 1487 CB MET A 98 8.667 -8.023 -0.076 1.00 0.00 C ATOM 1488 CG MET A 98 9.859 -7.265 -0.614 1.00 0.00 C ATOM 1489 SD MET A 98 10.749 -7.994 -2.010 1.00 0.00 S ATOM 1490 CE MET A 98 11.436 -9.468 -1.279 1.00 0.00 C ATOM 0 H MET A 98 9.846 -7.403 1.847 1.00 0.00 H new ATOM 0 HA MET A 98 7.588 -6.280 0.496 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.983 -8.976 0.348 1.00 0.00 H new ATOM 0 HB3 MET A 98 7.966 -8.248 -0.880 1.00 0.00 H new ATOM 0 HG2 MET A 98 9.520 -6.273 -0.912 1.00 0.00 H new ATOM 0 HG3 MET A 98 10.568 -7.128 0.203 1.00 0.00 H new ATOM 0 HE1 MET A 98 11.792 -10.132 -2.066 1.00 0.00 H new ATOM 0 HE2 MET A 98 12.268 -9.198 -0.628 1.00 0.00 H new ATOM 0 HE3 MET A 98 10.669 -9.976 -0.695 1.00 0.00 H new ATOM 1500 N LEU A 99 7.074 -8.771 2.566 1.00 0.00 N ATOM 1501 CA LEU A 99 6.026 -9.324 3.460 1.00 0.00 C ATOM 1502 C LEU A 99 5.430 -8.204 4.334 1.00 0.00 C ATOM 1503 O LEU A 99 4.236 -8.214 4.711 1.00 0.00 O ATOM 1504 CB LEU A 99 6.616 -10.403 4.394 1.00 0.00 C ATOM 1505 CG LEU A 99 6.647 -11.859 3.905 1.00 0.00 C ATOM 1506 CD1 LEU A 99 5.239 -12.385 3.743 1.00 0.00 C ATOM 1507 CD2 LEU A 99 7.414 -12.012 2.606 1.00 0.00 C ATOM 0 H LEU A 99 7.997 -9.187 2.686 1.00 0.00 H new ATOM 0 HA LEU A 99 5.253 -9.766 2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.639 -10.112 4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.052 -10.379 5.326 1.00 0.00 H new ATOM 0 HG LEU A 99 7.170 -12.444 4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.274 -13.418 3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.722 -12.342 4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.704 -11.775 3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.408 -13.058 2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.943 -11.406 1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.443 -11.682 2.750 1.00 0.00 H new ATOM 1519 N ALA A 100 6.296 -7.247 4.644 1.00 0.00 N ATOM 1520 CA ALA A 100 5.937 -6.129 5.483 1.00 0.00 C ATOM 1521 C ALA A 100 4.819 -5.285 4.911 1.00 0.00 C ATOM 1522 O ALA A 100 4.038 -4.734 5.667 1.00 0.00 O ATOM 1523 CB ALA A 100 7.126 -5.273 5.898 1.00 0.00 C ATOM 0 H ALA A 100 7.262 -7.231 4.318 1.00 0.00 H new ATOM 0 HA ALA A 100 5.551 -6.587 6.394 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.781 -4.452 6.527 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.837 -5.883 6.455 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.612 -4.870 5.009 1.00 0.00 H new ATOM 1529 N LEU A 101 4.700 -5.223 3.598 1.00 0.00 N ATOM 1530 CA LEU A 101 3.686 -4.449 2.928 1.00 0.00 C ATOM 1531 C LEU A 101 2.282 -4.901 3.262 1.00 0.00 C ATOM 1532 O LEU A 101 1.410 -4.065 3.453 1.00 0.00 O ATOM 1533 CB LEU A 101 3.912 -4.440 1.440 1.00 0.00 C ATOM 1534 CG LEU A 101 4.888 -3.395 0.846 1.00 0.00 C ATOM 1535 CD1 LEU A 101 4.200 -2.050 0.711 1.00 0.00 C ATOM 1536 CD2 LEU A 101 6.130 -3.214 1.701 1.00 0.00 C ATOM 0 H LEU A 101 5.320 -5.721 2.960 1.00 0.00 H new ATOM 0 HA LEU A 101 3.778 -3.429 3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.271 -5.429 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.944 -4.300 0.959 1.00 0.00 H new ATOM 0 HG LEU A 101 5.191 -3.772 -0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.898 -1.325 0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.338 -2.147 0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.869 -1.710 1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.783 -2.471 1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.841 -2.877 2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.660 -4.164 1.779 1.00 0.00 H new ATOM 1548 N LEU A 102 2.055 -6.196 3.381 1.00 0.00 N ATOM 1549 CA LEU A 102 0.736 -6.653 3.740 1.00 0.00 C ATOM 1550 C LEU A 102 0.383 -6.230 5.157 1.00 0.00 C ATOM 1551 O LEU A 102 -0.717 -5.737 5.403 1.00 0.00 O ATOM 1552 CB LEU A 102 0.530 -8.159 3.600 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.881 -8.599 4.005 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -1.930 -8.080 3.027 1.00 0.00 C ATOM 1555 CD2 LEU A 102 -1.000 -10.096 4.181 1.00 0.00 C ATOM 0 H LEU A 102 2.750 -6.929 3.238 1.00 0.00 H new ATOM 0 HA LEU A 102 0.069 -6.177 3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.716 -8.453 2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.261 -8.681 4.217 1.00 0.00 H new ATOM 0 HG LEU A 102 -1.072 -8.151 4.980 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.919 -8.411 3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.901 -6.991 3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.721 -8.467 2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.021 -10.349 4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.753 -10.593 3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.312 -10.427 4.959 1.00 0.00 H new ATOM 1567 N HIS A 103 1.300 -6.437 6.099 1.00 0.00 N ATOM 1568 CA HIS A 103 0.960 -6.026 7.468 1.00 0.00 C ATOM 1569 C HIS A 103 0.780 -4.498 7.573 1.00 0.00 C ATOM 1570 O HIS A 103 0.053 -4.007 8.424 1.00 0.00 O ATOM 1571 CB HIS A 103 1.874 -6.599 8.584 1.00 0.00 C ATOM 1572 CG HIS A 103 3.312 -6.163 8.596 1.00 0.00 C ATOM 1573 ND1 HIS A 103 3.664 -4.838 8.731 1.00 0.00 N ATOM 1574 CD2 HIS A 103 4.434 -6.912 8.523 1.00 0.00 C ATOM 1575 CE1 HIS A 103 4.979 -4.810 8.729 1.00 0.00 C ATOM 1576 NE2 HIS A 103 5.488 -6.041 8.616 1.00 0.00 N ATOM 0 H HIS A 103 2.220 -6.855 5.964 1.00 0.00 H new ATOM 0 HA HIS A 103 -0.004 -6.495 7.666 1.00 0.00 H new ATOM 0 HB2 HIS A 103 1.435 -6.336 9.546 1.00 0.00 H new ATOM 0 HB3 HIS A 103 1.853 -7.686 8.511 1.00 0.00 H new ATOM 0 HD2 HIS A 103 4.489 -7.985 8.413 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.570 -3.910 8.808 1.00 0.00 H new ATOM 0 HE2 HIS A 103 6.478 -6.287 8.602 1.00 0.00 H new ATOM 1584 N ILE A 104 1.409 -3.769 6.675 1.00 0.00 N ATOM 1585 CA ILE A 104 1.244 -2.306 6.693 1.00 0.00 C ATOM 1586 C ILE A 104 -0.028 -1.899 5.952 1.00 0.00 C ATOM 1587 O ILE A 104 -0.751 -1.004 6.378 1.00 0.00 O ATOM 1588 CB ILE A 104 2.527 -1.484 6.254 1.00 0.00 C ATOM 1589 CG1 ILE A 104 2.321 0.048 6.177 1.00 0.00 C ATOM 1590 CG2 ILE A 104 3.123 -1.970 4.966 1.00 0.00 C ATOM 1591 CD1 ILE A 104 1.712 0.542 4.863 1.00 0.00 C ATOM 0 H ILE A 104 2.020 -4.134 5.944 1.00 0.00 H new ATOM 0 HA ILE A 104 1.125 -2.024 7.739 1.00 0.00 H new ATOM 0 HB ILE A 104 3.228 -1.674 7.067 1.00 0.00 H new ATOM 0 HG12 ILE A 104 1.677 0.357 7.000 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.283 0.539 6.324 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.997 -1.368 4.720 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.420 -3.013 5.073 1.00 0.00 H new ATOM 0 HG23 ILE A 104 2.386 -1.883 4.168 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.603 1.626 4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.365 0.269 4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.733 0.084 4.721 1.00 0.00 H new ATOM 1603 N THR A 105 -0.344 -2.615 4.911 1.00 0.00 N ATOM 1604 CA THR A 105 -1.532 -2.279 4.154 1.00 0.00 C ATOM 1605 C THR A 105 -2.795 -2.812 4.823 1.00 0.00 C ATOM 1606 O THR A 105 -3.878 -2.323 4.575 1.00 0.00 O ATOM 1607 CB THR A 105 -1.466 -2.750 2.683 1.00 0.00 C ATOM 1608 OG1 THR A 105 -2.538 -2.139 1.940 1.00 0.00 O ATOM 1609 CG2 THR A 105 -1.632 -4.251 2.617 1.00 0.00 C ATOM 0 H THR A 105 0.184 -3.417 4.567 1.00 0.00 H new ATOM 0 HA THR A 105 -1.575 -1.190 4.142 1.00 0.00 H new ATOM 0 HB THR A 105 -0.502 -2.466 2.262 1.00 0.00 H new ATOM 0 HG1 THR A 105 -3.296 -1.972 2.538 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.585 -4.577 1.578 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.834 -4.731 3.184 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.597 -4.529 3.041 1.00 0.00 H new ATOM 1617 N ARG A 106 -2.667 -3.836 5.620 1.00 0.00 N ATOM 1618 CA ARG A 106 -3.849 -4.324 6.260 1.00 0.00 C ATOM 1619 C ARG A 106 -4.045 -3.749 7.625 1.00 0.00 C ATOM 1620 O ARG A 106 -5.137 -3.375 7.946 1.00 0.00 O ATOM 1621 CB ARG A 106 -3.973 -5.829 6.265 1.00 0.00 C ATOM 1622 CG ARG A 106 -5.058 -6.316 5.325 1.00 0.00 C ATOM 1623 CD ARG A 106 -5.278 -7.800 5.472 1.00 0.00 C ATOM 1624 NE ARG A 106 -6.402 -8.274 4.659 1.00 0.00 N ATOM 1625 CZ ARG A 106 -6.814 -9.540 4.596 1.00 0.00 C ATOM 1626 NH1 ARG A 106 -6.193 -10.484 5.292 1.00 0.00 N ATOM 1627 NH2 ARG A 106 -7.863 -9.850 3.854 1.00 0.00 N ATOM 0 H ARG A 106 -1.799 -4.327 5.834 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.666 -3.964 5.635 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.019 -6.272 5.977 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -4.191 -6.171 7.277 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -5.987 -5.785 5.532 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.782 -6.086 4.296 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -4.372 -8.331 5.181 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -5.464 -8.036 6.520 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.906 -7.585 4.101 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.395 -10.243 5.880 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -6.514 -11.451 5.239 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -8.353 -9.122 3.334 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -8.183 -10.817 3.802 1.00 0.00 H new ATOM 1641 N ASP A 107 -2.986 -3.605 8.398 1.00 0.00 N ATOM 1642 CA ASP A 107 -3.119 -3.109 9.775 1.00 0.00 C ATOM 1643 C ASP A 107 -3.238 -1.593 9.839 1.00 0.00 C ATOM 1644 O ASP A 107 -4.084 -1.038 10.558 1.00 0.00 O ATOM 1645 CB ASP A 107 -1.942 -3.587 10.635 1.00 0.00 C ATOM 1646 CG ASP A 107 -1.985 -3.073 12.058 1.00 0.00 C ATOM 1647 OD1 ASP A 107 -1.431 -1.996 12.332 1.00 0.00 O ATOM 1648 OD2 ASP A 107 -2.557 -3.754 12.942 1.00 0.00 O ATOM 0 H ASP A 107 -2.031 -3.818 8.111 1.00 0.00 H new ATOM 0 HA ASP A 107 -4.046 -3.522 10.173 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.933 -4.677 10.651 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.009 -3.268 10.170 1.00 0.00 H new ATOM 1653 N ALA A 108 -2.425 -0.911 9.066 1.00 0.00 N ATOM 1654 CA ALA A 108 -2.428 0.537 9.104 1.00 0.00 C ATOM 1655 C ALA A 108 -3.672 1.071 8.432 1.00 0.00 C ATOM 1656 O ALA A 108 -4.330 1.921 8.967 1.00 0.00 O ATOM 1657 CB ALA A 108 -1.180 1.098 8.486 1.00 0.00 C ATOM 0 H ALA A 108 -1.761 -1.326 8.412 1.00 0.00 H new ATOM 0 HA ALA A 108 -2.440 0.859 10.145 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -1.210 2.187 8.529 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -0.309 0.738 9.033 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -1.113 0.778 7.446 1.00 0.00 H new ATOM 1663 N TYR A 109 -4.063 0.421 7.353 1.00 0.00 N ATOM 1664 CA TYR A 109 -5.275 0.837 6.614 1.00 0.00 C ATOM 1665 C TYR A 109 -6.514 0.517 7.438 1.00 0.00 C ATOM 1666 O TYR A 109 -7.508 1.210 7.425 1.00 0.00 O ATOM 1667 CB TYR A 109 -5.323 0.214 5.201 1.00 0.00 C ATOM 1668 CG TYR A 109 -4.338 0.831 4.229 1.00 0.00 C ATOM 1669 CD1 TYR A 109 -2.975 0.673 4.404 1.00 0.00 C ATOM 1670 CD2 TYR A 109 -4.775 1.545 3.124 1.00 0.00 C ATOM 1671 CE1 TYR A 109 -2.072 1.202 3.512 1.00 0.00 C ATOM 1672 CE2 TYR A 109 -3.877 2.085 2.224 1.00 0.00 C ATOM 1673 CZ TYR A 109 -2.527 1.908 2.424 1.00 0.00 C ATOM 1674 OH TYR A 109 -1.631 2.436 1.537 1.00 0.00 O ATOM 0 H TYR A 109 -3.579 -0.387 6.961 1.00 0.00 H new ATOM 0 HA TYR A 109 -5.244 1.916 6.462 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -5.123 -0.855 5.278 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -6.331 0.322 4.800 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -2.612 0.122 5.259 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -5.834 1.681 2.964 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -1.012 1.064 3.665 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -4.232 2.642 1.370 1.00 0.00 H new ATOM 0 HH TYR A 109 -2.113 2.835 0.783 1.00 0.00 H new ATOM 1684 N ARG A 110 -6.348 -0.480 8.229 1.00 0.00 N ATOM 1685 CA ARG A 110 -7.382 -0.920 9.157 1.00 0.00 C ATOM 1686 C ARG A 110 -7.759 0.204 10.162 1.00 0.00 C ATOM 1687 O ARG A 110 -8.841 0.208 10.737 1.00 0.00 O ATOM 1688 CB ARG A 110 -6.879 -2.188 9.826 1.00 0.00 C ATOM 1689 CG ARG A 110 -7.498 -2.629 11.108 1.00 0.00 C ATOM 1690 CD ARG A 110 -9.011 -2.863 11.027 1.00 0.00 C ATOM 1691 NE ARG A 110 -9.433 -3.716 9.901 1.00 0.00 N ATOM 1692 CZ ARG A 110 -9.744 -5.026 9.939 1.00 0.00 C ATOM 1693 NH1 ARG A 110 -9.618 -5.729 11.060 1.00 0.00 N ATOM 1694 NH2 ARG A 110 -10.197 -5.624 8.842 1.00 0.00 N ATOM 0 H ARG A 110 -5.492 -1.033 8.268 1.00 0.00 H new ATOM 0 HA ARG A 110 -8.311 -1.142 8.633 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -6.991 -3.003 9.111 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -5.811 -2.064 10.003 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -7.016 -3.551 11.433 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -7.298 -1.878 11.872 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -9.347 -3.319 11.959 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -9.512 -1.899 10.945 1.00 0.00 H new ATOM 0 HE ARG A 110 -9.497 -3.263 8.990 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -9.281 -5.277 11.910 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.858 -6.720 11.070 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -10.307 -5.091 7.979 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -10.435 -6.616 8.863 1.00 0.00 H new ATOM 1708 N SER A 111 -6.888 1.181 10.326 1.00 0.00 N ATOM 1709 CA SER A 111 -7.160 2.286 11.227 1.00 0.00 C ATOM 1710 C SER A 111 -8.012 3.440 10.609 1.00 0.00 C ATOM 1711 O SER A 111 -8.529 4.276 11.346 1.00 0.00 O ATOM 1712 CB SER A 111 -5.834 2.794 11.772 1.00 0.00 C ATOM 1713 OG SER A 111 -5.086 1.690 12.285 1.00 0.00 O ATOM 0 H SER A 111 -5.988 1.233 9.849 1.00 0.00 H new ATOM 0 HA SER A 111 -7.788 1.905 12.032 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.271 3.296 10.985 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.007 3.529 12.558 1.00 0.00 H new ATOM 0 HG SER A 111 -4.229 2.010 12.636 1.00 0.00 H new ATOM 1719 N TRP A 112 -8.196 3.485 9.276 1.00 0.00 N ATOM 1720 CA TRP A 112 -8.943 4.612 8.640 1.00 0.00 C ATOM 1721 C TRP A 112 -9.752 4.125 7.447 1.00 0.00 C ATOM 1722 O TRP A 112 -10.891 4.536 7.224 1.00 0.00 O ATOM 1723 CB TRP A 112 -7.982 5.748 8.191 1.00 0.00 C ATOM 1724 CG TRP A 112 -6.542 5.384 8.326 1.00 0.00 C ATOM 1725 CD1 TRP A 112 -5.904 4.357 7.698 1.00 0.00 C ATOM 1726 CD2 TRP A 112 -5.560 6.038 9.134 1.00 0.00 C ATOM 1727 NE1 TRP A 112 -4.608 4.338 8.075 1.00 0.00 N ATOM 1728 CE2 TRP A 112 -4.367 5.339 8.952 1.00 0.00 C ATOM 1729 CE3 TRP A 112 -5.573 7.136 9.997 1.00 0.00 C ATOM 1730 CZ2 TRP A 112 -3.194 5.677 9.583 1.00 0.00 C ATOM 1731 CZ3 TRP A 112 -4.397 7.482 10.635 1.00 0.00 C ATOM 1732 CH2 TRP A 112 -3.220 6.752 10.424 1.00 0.00 C ATOM 0 H TRP A 112 -7.852 2.780 8.624 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.624 5.011 9.392 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -8.190 6.002 7.152 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.182 6.640 8.784 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -6.363 3.666 7.007 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -3.913 3.668 7.747 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -6.479 7.700 10.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -2.287 5.114 9.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -4.385 8.328 11.306 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -2.316 7.045 10.937 1.00 0.00 H new ATOM 1743 N THR A 113 -9.134 3.235 6.721 1.00 0.00 N ATOM 1744 CA THR A 113 -9.702 2.630 5.546 1.00 0.00 C ATOM 1745 C THR A 113 -10.846 1.692 5.901 1.00 0.00 C ATOM 1746 O THR A 113 -12.025 2.029 5.725 1.00 0.00 O ATOM 1747 CB THR A 113 -8.598 1.835 4.837 1.00 0.00 C ATOM 1748 OG1 THR A 113 -7.422 2.633 4.765 1.00 0.00 O ATOM 1749 CG2 THR A 113 -8.989 1.469 3.445 1.00 0.00 C ATOM 0 H THR A 113 -8.195 2.900 6.936 1.00 0.00 H new ATOM 0 HA THR A 113 -10.100 3.413 4.901 1.00 0.00 H new ATOM 0 HB THR A 113 -8.428 0.922 5.408 1.00 0.00 H new ATOM 0 HG1 THR A 113 -7.637 3.556 5.016 1.00 0.00 H new ATOM 0 HG21 THR A 113 -8.181 0.907 2.976 1.00 0.00 H new ATOM 0 HG22 THR A 113 -9.891 0.857 3.469 1.00 0.00 H new ATOM 0 HG23 THR A 113 -9.181 2.375 2.871 1.00 0.00 H new ATOM 1757 N ASN A 114 -10.512 0.542 6.436 1.00 0.00 N ATOM 1758 CA ASN A 114 -11.493 -0.486 6.685 1.00 0.00 C ATOM 1759 C ASN A 114 -11.255 -1.027 8.063 1.00 0.00 C ATOM 1760 O ASN A 114 -11.857 -0.494 9.026 1.00 0.00 O ATOM 1761 CB ASN A 114 -11.380 -1.634 5.656 1.00 0.00 C ATOM 1762 CG ASN A 114 -11.513 -1.208 4.196 1.00 0.00 C ATOM 1763 OD1 ASN A 114 -12.240 -0.138 3.933 1.00 0.00 O flip ATOM 1764 ND2 ASN A 114 -10.945 -1.829 3.303 1.00 0.00 N flip ATOM 1765 OXT ASN A 114 -10.429 -1.943 8.196 1.00 0.00 O ATOM 0 H ASN A 114 -9.561 0.294 6.709 1.00 0.00 H new ATOM 0 HA ASN A 114 -12.492 -0.058 6.597 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -10.417 -2.127 5.789 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -12.150 -2.374 5.874 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -10.388 -2.653 3.529 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -11.029 -1.521 2.334 1.00 0.00 H new TER 1772 ASN A 114