USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 894 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 69 THR OG1 : rot 180:sc= -0.074 USER MOD Set 1.2: A 70 GLN : amide:sc= -2.35! C(o=-2.4!,f=-3.1!) USER MOD Set 2.1: A 43 THR OG1 : rot 180:sc=-0.00619 USER MOD Set 2.2: A 105 SER OG : rot 52:sc= 0.954 USER MOD Set 3.1: A 24 THR OG1 : rot 131:sc= 0.381 USER MOD Set 3.2: A 34 ASN :FLIP amide:sc= -0.37 F(o=-1.7!,f=0.011) USER MOD Set 4.1: A 2 ASN : amide:sc= -2.21 K(o=-3.2,f=-4!) USER MOD Set 4.2: A 62 HIS : no HD1:sc= -0.947 K(o=-3.2,f=-8.3!) USER MOD Single : A 4 SER OG : rot 157:sc= -1.7! USER MOD Single : A 6 SER OG : rot 180:sc= -0.0193 USER MOD Single : A 9 HIS : no HE2:sc= -7.5! C(o=-7.5!,f=-7!) USER MOD Single : A 11 GLN : amide:sc= -4.79! C(o=-4.8!,f=-7!) USER MOD Single : A 13 SER OG : rot -86:sc= 0.676 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= 0.344 K(o=0.34,f=-2.5!) USER MOD Single : A 20 SER OG : rot 70:sc= -2.9! USER MOD Single : A 23 CYS SG : rot 120:sc= -2.06 USER MOD Single : A 26 LYS NZ :NH3+ 147:sc= -0.298 (180deg=-1.33!) USER MOD Single : A 30 ASN :FLIP amide:sc= -1.03 F(o=-2.1!,f=-1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0596 USER MOD Single : A 40 GLN :FLIP amide:sc= -2.18! C(o=-5.4!,f=-2.2!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 140:sc= -0.0402 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot -32:sc= 0.8 USER MOD Single : A 61 SER OG : rot 78:sc= 1.14 USER MOD Single : A 65 ASN : amide:sc= -1.78! C(o=-1.8!,f=-2.2!) USER MOD Single : A 73 THR OG1 : rot 97:sc= -5.03! USER MOD Single : A 75 LYS NZ :NH3+ 165:sc= -0.299 (180deg=-0.685) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 79 SER OG : rot -50:sc= 1.04 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -9.85! C(o=-9.9!,f=-18!) USER MOD Single : A 88 TYR OH : rot -83:sc= -1.11! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.655! C(o=-1.5!,f=-0.66!) USER MOD Single : A 98 SER OG : rot 79:sc= -0.124 USER MOD Single : A 102 SER OG : rot 162:sc= -6.11! USER MOD Single : A 107 GLN :FLIP amide:sc= -18.8! C(o=-21!,f=-19!) USER MOD Single : A 108 MET CE :methyl -168:sc= -14.4! (180deg=-15.5!) USER MOD Single : A 109 THR OG1 : rot -76:sc= 0.624 USER MOD Single : A 111 GLN :FLIP amide:sc= -0.0316 F(o=-1.8,f=-0.032) USER MOD Single : A 114 LYS NZ :NH3+ 159:sc= -5.04! (180deg=-6.67!) USER MOD Single : A 123 GLN : amide:sc= -0.951 K(o=-0.95,f=-1.8) USER MOD Single : A 125 SER OG : rot -120:sc= -0.115 USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 -2.807 8.120 -10.005 1.00 0.00 N ATOM 21 CA ASN A 2 -2.680 8.478 -8.597 1.00 0.00 C ATOM 22 C ASN A 2 -1.711 9.645 -8.419 1.00 0.00 C ATOM 23 O ASN A 2 -1.371 10.334 -9.381 1.00 0.00 O ATOM 24 CB ASN A 2 -2.212 7.265 -7.781 1.00 0.00 C ATOM 25 CG ASN A 2 -0.714 7.034 -7.872 1.00 0.00 C ATOM 26 OD1 ASN A 2 -0.203 6.601 -8.905 1.00 0.00 O ATOM 27 ND2 ASN A 2 -0.003 7.324 -6.789 1.00 0.00 N ATOM 0 HA ASN A 2 -3.659 8.790 -8.233 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.490 7.407 -6.737 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.734 6.374 -8.131 1.00 0.00 H new ATOM 0 HD21 ASN A 2 1.008 7.190 -6.792 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -0.468 7.681 -5.954 1.00 0.00 H new ATOM 34 N LEU A 3 -1.264 9.855 -7.185 1.00 0.00 N ATOM 35 CA LEU A 3 -0.325 10.931 -6.886 1.00 0.00 C ATOM 36 C LEU A 3 1.038 10.633 -7.503 1.00 0.00 C ATOM 37 O LEU A 3 1.371 11.131 -8.579 1.00 0.00 O ATOM 38 CB LEU A 3 -0.173 11.106 -5.372 1.00 0.00 C ATOM 39 CG LEU A 3 -1.383 11.698 -4.648 1.00 0.00 C ATOM 40 CD1 LEU A 3 -1.785 10.810 -3.479 1.00 0.00 C ATOM 41 CD2 LEU A 3 -1.081 13.113 -4.166 1.00 0.00 C ATOM 0 H LEU A 3 -1.536 9.295 -6.377 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.718 11.853 -7.313 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.050 10.134 -4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.689 11.746 -5.183 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.216 11.747 -5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.647 11.243 -2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.042 9.817 -3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.954 10.733 -2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.954 13.517 -3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.235 13.091 -3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.838 13.744 -5.021 1.00 0.00 H new ATOM 53 N SER A 4 1.818 9.809 -6.810 1.00 0.00 N ATOM 54 CA SER A 4 3.144 9.421 -7.265 1.00 0.00 C ATOM 55 C SER A 4 3.677 8.291 -6.387 1.00 0.00 C ATOM 56 O SER A 4 2.899 7.552 -5.783 1.00 0.00 O ATOM 57 CB SER A 4 4.101 10.618 -7.245 1.00 0.00 C ATOM 58 OG SER A 4 3.392 11.843 -7.176 1.00 0.00 O ATOM 0 H SER A 4 1.547 9.393 -5.919 1.00 0.00 H new ATOM 0 HA SER A 4 3.073 9.069 -8.294 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.772 10.535 -6.390 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.722 10.605 -8.141 1.00 0.00 H new ATOM 0 HG SER A 4 3.975 12.538 -6.804 1.00 0.00 H new ATOM 64 N LEU A 5 4.995 8.144 -6.324 1.00 0.00 N ATOM 65 CA LEU A 5 5.596 7.085 -5.524 1.00 0.00 C ATOM 66 C LEU A 5 6.006 7.565 -4.139 1.00 0.00 C ATOM 67 O LEU A 5 5.481 7.118 -3.116 1.00 0.00 O ATOM 68 CB LEU A 5 6.835 6.546 -6.236 1.00 0.00 C ATOM 69 CG LEU A 5 6.835 5.058 -6.438 1.00 0.00 C ATOM 70 CD1 LEU A 5 7.867 4.638 -7.475 1.00 0.00 C ATOM 71 CD2 LEU A 5 7.056 4.342 -5.120 1.00 0.00 C ATOM 0 H LEU A 5 5.663 8.740 -6.813 1.00 0.00 H new ATOM 0 HA LEU A 5 4.842 6.307 -5.405 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.921 7.033 -7.208 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.719 6.823 -5.661 1.00 0.00 H new ATOM 0 HG LEU A 5 5.856 4.770 -6.821 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.841 3.555 -7.597 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.641 5.116 -8.428 1.00 0.00 H new ATOM 0 HD13 LEU A 5 8.860 4.942 -7.144 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.053 3.265 -5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.016 4.642 -4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.258 4.604 -4.425 1.00 0.00 H new ATOM 83 N SER A 6 6.983 8.449 -4.133 1.00 0.00 N ATOM 84 CA SER A 6 7.548 8.990 -2.914 1.00 0.00 C ATOM 85 C SER A 6 6.550 9.827 -2.118 1.00 0.00 C ATOM 86 O SER A 6 6.495 9.724 -0.892 1.00 0.00 O ATOM 87 CB SER A 6 8.775 9.800 -3.293 1.00 0.00 C ATOM 88 OG SER A 6 8.470 11.178 -3.411 1.00 0.00 O ATOM 0 H SER A 6 7.411 8.816 -4.983 1.00 0.00 H new ATOM 0 HA SER A 6 7.822 8.168 -2.253 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.551 9.661 -2.540 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.177 9.433 -4.237 1.00 0.00 H new ATOM 0 HG SER A 6 9.280 11.673 -3.654 1.00 0.00 H new ATOM 94 N ASP A 7 5.753 10.643 -2.800 1.00 0.00 N ATOM 95 CA ASP A 7 4.766 11.459 -2.113 1.00 0.00 C ATOM 96 C ASP A 7 3.699 10.557 -1.521 1.00 0.00 C ATOM 97 O ASP A 7 3.352 10.668 -0.344 1.00 0.00 O ATOM 98 CB ASP A 7 4.129 12.481 -3.059 1.00 0.00 C ATOM 99 CG ASP A 7 4.049 12.003 -4.494 1.00 0.00 C ATOM 100 OD1 ASP A 7 3.168 11.170 -4.791 1.00 0.00 O ATOM 101 OD2 ASP A 7 4.867 12.463 -5.318 1.00 0.00 O ATOM 0 H ASP A 7 5.772 10.755 -3.814 1.00 0.00 H new ATOM 0 HA ASP A 7 5.265 12.013 -1.318 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.125 12.716 -2.705 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.704 13.406 -3.023 1.00 0.00 H new ATOM 106 N LEU A 8 3.202 9.641 -2.343 1.00 0.00 N ATOM 107 CA LEU A 8 2.193 8.689 -1.909 1.00 0.00 C ATOM 108 C LEU A 8 2.651 7.992 -0.634 1.00 0.00 C ATOM 109 O LEU A 8 1.898 7.882 0.338 1.00 0.00 O ATOM 110 CB LEU A 8 1.939 7.665 -3.009 1.00 0.00 C ATOM 111 CG LEU A 8 0.719 6.777 -2.797 1.00 0.00 C ATOM 112 CD1 LEU A 8 -0.557 7.570 -3.030 1.00 0.00 C ATOM 113 CD2 LEU A 8 0.785 5.574 -3.720 1.00 0.00 C ATOM 0 H LEU A 8 3.484 9.539 -3.318 1.00 0.00 H new ATOM 0 HA LEU A 8 1.264 9.221 -1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.825 8.193 -3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.820 7.030 -3.103 1.00 0.00 H new ATOM 0 HG LEU A 8 0.713 6.420 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.421 6.923 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.599 8.405 -2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.567 7.951 -4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.091 4.945 -3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.807 5.911 -4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.687 5.000 -3.506 1.00 0.00 H new ATOM 125 N HIS A 9 3.902 7.543 -0.635 1.00 0.00 N ATOM 126 CA HIS A 9 4.463 6.886 0.533 1.00 0.00 C ATOM 127 C HIS A 9 4.548 7.874 1.678 1.00 0.00 C ATOM 128 O HIS A 9 4.283 7.542 2.826 1.00 0.00 O ATOM 129 CB HIS A 9 5.857 6.343 0.243 1.00 0.00 C ATOM 130 CG HIS A 9 6.384 5.468 1.338 1.00 0.00 C ATOM 131 ND1 HIS A 9 7.341 5.887 2.240 1.00 0.00 N ATOM 132 CD2 HIS A 9 6.084 4.192 1.679 1.00 0.00 C ATOM 133 CE1 HIS A 9 7.605 4.907 3.086 1.00 0.00 C ATOM 134 NE2 HIS A 9 6.856 3.869 2.767 1.00 0.00 N ATOM 0 H HIS A 9 4.540 7.623 -1.427 1.00 0.00 H new ATOM 0 HA HIS A 9 3.812 6.053 0.798 1.00 0.00 H new ATOM 0 HB2 HIS A 9 5.834 5.776 -0.688 1.00 0.00 H new ATOM 0 HB3 HIS A 9 6.542 7.178 0.091 1.00 0.00 H new ATOM 0 HD1 HIS A 9 7.776 6.809 2.252 1.00 0.00 H new ATOM 0 HD2 HIS A 9 5.370 3.548 1.186 1.00 0.00 H new ATOM 0 HE1 HIS A 9 8.313 4.949 3.900 1.00 0.00 H new ATOM 143 N ARG A 10 4.928 9.098 1.344 1.00 0.00 N ATOM 144 CA ARG A 10 5.062 10.155 2.339 1.00 0.00 C ATOM 145 C ARG A 10 3.796 10.286 3.181 1.00 0.00 C ATOM 146 O ARG A 10 3.856 10.254 4.410 1.00 0.00 O ATOM 147 CB ARG A 10 5.389 11.489 1.662 1.00 0.00 C ATOM 148 CG ARG A 10 6.843 11.901 1.809 1.00 0.00 C ATOM 149 CD ARG A 10 7.142 12.374 3.220 1.00 0.00 C ATOM 150 NE ARG A 10 7.476 11.264 4.110 1.00 0.00 N ATOM 151 CZ ARG A 10 7.406 11.331 5.438 1.00 0.00 C ATOM 152 NH1 ARG A 10 7.017 12.451 6.034 1.00 0.00 N ATOM 153 NH2 ARG A 10 7.725 10.274 6.172 1.00 0.00 N ATOM 0 H ARG A 10 5.150 9.386 0.391 1.00 0.00 H new ATOM 0 HA ARG A 10 5.883 9.886 3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.145 11.419 0.602 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.754 12.268 2.085 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.489 11.059 1.561 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.071 12.697 1.100 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.970 13.082 3.197 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.277 12.907 3.614 1.00 0.00 H new ATOM 0 HE ARG A 10 7.781 10.386 3.689 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.769 13.267 5.474 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.965 12.496 7.052 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.024 9.410 5.719 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.672 10.325 7.189 1.00 0.00 H new ATOM 167 N GLN A 11 2.650 10.436 2.522 1.00 0.00 N ATOM 168 CA GLN A 11 1.386 10.576 3.239 1.00 0.00 C ATOM 169 C GLN A 11 0.979 9.267 3.924 1.00 0.00 C ATOM 170 O GLN A 11 0.755 9.236 5.141 1.00 0.00 O ATOM 171 CB GLN A 11 0.260 11.072 2.314 1.00 0.00 C ATOM 172 CG GLN A 11 0.326 10.543 0.888 1.00 0.00 C ATOM 173 CD GLN A 11 0.839 11.564 -0.113 1.00 0.00 C ATOM 174 OE1 GLN A 11 0.487 11.517 -1.291 1.00 0.00 O ATOM 175 NE2 GLN A 11 1.678 12.487 0.344 1.00 0.00 N ATOM 0 H GLN A 11 2.570 10.464 1.506 1.00 0.00 H new ATOM 0 HA GLN A 11 1.543 11.328 4.012 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.699 10.788 2.748 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.287 12.161 2.284 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.972 9.666 0.864 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.668 10.215 0.584 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.945 12.491 1.328 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.055 13.192 -0.290 1.00 0.00 H new ATOM 184 N VAL A 12 0.889 8.181 3.155 1.00 0.00 N ATOM 185 CA VAL A 12 0.504 6.895 3.725 1.00 0.00 C ATOM 186 C VAL A 12 1.430 6.500 4.879 1.00 0.00 C ATOM 187 O VAL A 12 0.971 6.092 5.952 1.00 0.00 O ATOM 188 CB VAL A 12 0.481 5.786 2.644 1.00 0.00 C ATOM 189 CG1 VAL A 12 1.875 5.232 2.384 1.00 0.00 C ATOM 190 CG2 VAL A 12 -0.482 4.675 3.036 1.00 0.00 C ATOM 0 H VAL A 12 1.075 8.167 2.152 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.506 7.004 4.121 1.00 0.00 H new ATOM 0 HB VAL A 12 0.129 6.234 1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.822 4.456 1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.527 6.035 2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.276 4.808 3.305 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.484 3.906 2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.167 4.238 3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.486 5.085 3.142 1.00 0.00 H new ATOM 200 N SER A 13 2.733 6.635 4.651 1.00 0.00 N ATOM 201 CA SER A 13 3.730 6.302 5.660 1.00 0.00 C ATOM 202 C SER A 13 3.562 7.156 6.905 1.00 0.00 C ATOM 203 O SER A 13 3.453 6.634 8.011 1.00 0.00 O ATOM 204 CB SER A 13 5.144 6.477 5.102 1.00 0.00 C ATOM 205 OG SER A 13 5.476 7.849 4.974 1.00 0.00 O ATOM 0 H SER A 13 3.123 6.974 3.772 1.00 0.00 H new ATOM 0 HA SER A 13 3.581 5.258 5.934 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.861 5.986 5.760 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.218 5.990 4.130 1.00 0.00 H new ATOM 0 HG SER A 13 5.151 8.185 4.113 1.00 0.00 H new ATOM 211 N ARG A 14 3.534 8.470 6.726 1.00 0.00 N ATOM 212 CA ARG A 14 3.379 9.377 7.852 1.00 0.00 C ATOM 213 C ARG A 14 2.061 9.120 8.563 1.00 0.00 C ATOM 214 O ARG A 14 1.887 9.493 9.721 1.00 0.00 O ATOM 215 CB ARG A 14 3.452 10.834 7.391 1.00 0.00 C ATOM 216 CG ARG A 14 4.032 11.771 8.440 1.00 0.00 C ATOM 217 CD ARG A 14 3.396 13.150 8.376 1.00 0.00 C ATOM 218 NE ARG A 14 4.398 14.213 8.357 1.00 0.00 N ATOM 219 CZ ARG A 14 5.034 14.652 9.440 1.00 0.00 C ATOM 220 NH1 ARG A 14 4.774 14.126 10.631 1.00 0.00 N ATOM 221 NH2 ARG A 14 5.936 15.619 9.333 1.00 0.00 N ATOM 0 H ARG A 14 3.616 8.928 5.818 1.00 0.00 H new ATOM 0 HA ARG A 14 4.197 9.194 8.549 1.00 0.00 H new ATOM 0 HB2 ARG A 14 4.059 10.892 6.488 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.451 11.174 7.125 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.879 11.346 9.432 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.108 11.860 8.293 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.774 13.222 7.484 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.738 13.286 9.235 1.00 0.00 H new ATOM 0 HE ARG A 14 4.623 14.644 7.460 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.083 13.381 10.720 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.265 14.467 11.457 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.142 16.026 8.421 1.00 0.00 H new ATOM 0 HH22 ARG A 14 6.424 15.956 10.163 1.00 0.00 H new ATOM 235 N LEU A 15 1.126 8.496 7.859 1.00 0.00 N ATOM 236 CA LEU A 15 -0.176 8.213 8.431 1.00 0.00 C ATOM 237 C LEU A 15 -0.159 7.010 9.370 1.00 0.00 C ATOM 238 O LEU A 15 -0.400 7.155 10.567 1.00 0.00 O ATOM 239 CB LEU A 15 -1.181 7.989 7.318 1.00 0.00 C ATOM 240 CG LEU A 15 -1.734 9.274 6.730 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.033 9.101 5.250 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.977 9.716 7.487 1.00 0.00 C ATOM 0 H LEU A 15 1.247 8.179 6.897 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.463 9.077 9.030 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.708 7.410 6.524 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.007 7.390 7.701 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.979 10.053 6.833 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.429 10.033 4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.117 8.838 4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.769 8.308 5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.359 10.639 7.051 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.739 8.940 7.420 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.724 9.886 8.534 1.00 0.00 H new ATOM 254 N VAL A 16 0.104 5.822 8.833 1.00 0.00 N ATOM 255 CA VAL A 16 0.114 4.617 9.663 1.00 0.00 C ATOM 256 C VAL A 16 1.336 4.569 10.569 1.00 0.00 C ATOM 257 O VAL A 16 1.296 3.958 11.637 1.00 0.00 O ATOM 258 CB VAL A 16 0.025 3.323 8.815 1.00 0.00 C ATOM 259 CG1 VAL A 16 1.032 2.272 9.273 1.00 0.00 C ATOM 260 CG2 VAL A 16 -1.383 2.758 8.865 1.00 0.00 C ATOM 0 H VAL A 16 0.310 5.666 7.846 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.777 4.669 10.289 1.00 0.00 H new ATOM 0 HB VAL A 16 0.271 3.587 7.786 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.936 1.381 8.652 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.042 2.671 9.181 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.838 2.012 10.314 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.432 1.849 8.265 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.646 2.526 9.897 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.084 3.492 8.469 1.00 0.00 H new ATOM 270 N GLN A 17 2.416 5.213 10.154 1.00 0.00 N ATOM 271 CA GLN A 17 3.624 5.224 10.963 1.00 0.00 C ATOM 272 C GLN A 17 3.419 6.079 12.210 1.00 0.00 C ATOM 273 O GLN A 17 4.119 5.909 13.208 1.00 0.00 O ATOM 274 CB GLN A 17 4.824 5.725 10.158 1.00 0.00 C ATOM 275 CG GLN A 17 5.203 4.809 9.001 1.00 0.00 C ATOM 276 CD GLN A 17 6.508 4.076 9.241 1.00 0.00 C ATOM 277 OE1 GLN A 17 6.560 3.113 10.007 1.00 0.00 O ATOM 278 NE2 GLN A 17 7.571 4.528 8.587 1.00 0.00 N ATOM 0 H GLN A 17 2.481 5.727 9.276 1.00 0.00 H new ATOM 0 HA GLN A 17 3.834 4.200 11.272 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.601 6.718 9.767 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.680 5.830 10.824 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.406 4.082 8.842 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.284 5.398 8.088 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.483 5.329 7.962 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.476 4.074 8.710 1.00 0.00 H new ATOM 287 N GLN A 18 2.447 6.993 12.157 1.00 0.00 N ATOM 288 CA GLN A 18 2.161 7.852 13.301 1.00 0.00 C ATOM 289 C GLN A 18 0.817 8.561 13.141 1.00 0.00 C ATOM 290 O GLN A 18 0.758 9.788 13.064 1.00 0.00 O ATOM 291 CB GLN A 18 3.279 8.880 13.486 1.00 0.00 C ATOM 292 CG GLN A 18 3.641 9.618 12.210 1.00 0.00 C ATOM 293 CD GLN A 18 4.263 10.975 12.477 1.00 0.00 C ATOM 294 OE1 GLN A 18 3.663 12.012 12.196 1.00 0.00 O ATOM 295 NE2 GLN A 18 5.473 10.973 13.024 1.00 0.00 N ATOM 0 H GLN A 18 1.853 7.154 11.343 1.00 0.00 H new ATOM 0 HA GLN A 18 2.107 7.220 14.188 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.974 9.604 14.241 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.166 8.375 13.868 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.336 9.012 11.629 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.745 9.746 11.602 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.933 10.089 13.240 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.942 11.856 13.228 1.00 0.00 H new ATOM 304 N GLU A 19 -0.263 7.781 13.095 1.00 0.00 N ATOM 305 CA GLU A 19 -1.605 8.343 12.949 1.00 0.00 C ATOM 306 C GLU A 19 -2.661 7.246 12.812 1.00 0.00 C ATOM 307 O GLU A 19 -3.609 7.184 13.594 1.00 0.00 O ATOM 308 CB GLU A 19 -1.665 9.276 11.734 1.00 0.00 C ATOM 309 CG GLU A 19 -2.270 10.636 12.043 1.00 0.00 C ATOM 310 CD GLU A 19 -1.509 11.774 11.391 1.00 0.00 C ATOM 311 OE1 GLU A 19 -1.378 11.767 10.149 1.00 0.00 O ATOM 312 OE2 GLU A 19 -1.043 12.673 12.123 1.00 0.00 O ATOM 0 H GLU A 19 -0.235 6.763 13.156 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.822 8.913 13.853 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.657 9.416 11.343 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.248 8.798 10.947 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.306 10.655 11.703 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.286 10.786 13.123 1.00 0.00 H new ATOM 319 N SER A 20 -2.499 6.394 11.804 1.00 0.00 N ATOM 320 CA SER A 20 -3.446 5.312 11.552 1.00 0.00 C ATOM 321 C SER A 20 -3.121 4.074 12.384 1.00 0.00 C ATOM 322 O SER A 20 -4.022 3.404 12.887 1.00 0.00 O ATOM 323 CB SER A 20 -3.452 4.952 10.063 1.00 0.00 C ATOM 324 OG SER A 20 -3.994 6.003 9.286 1.00 0.00 O ATOM 0 H SER A 20 -1.720 6.432 11.147 1.00 0.00 H new ATOM 0 HA SER A 20 -4.435 5.663 11.845 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.435 4.739 9.733 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.034 4.044 9.908 1.00 0.00 H new ATOM 0 HG SER A 20 -3.373 6.762 9.283 1.00 0.00 H new ATOM 330 N GLY A 21 -1.836 3.768 12.519 1.00 0.00 N ATOM 331 CA GLY A 21 -1.434 2.601 13.283 1.00 0.00 C ATOM 332 C GLY A 21 -2.017 1.322 12.714 1.00 0.00 C ATOM 333 O GLY A 21 -2.889 0.702 13.323 1.00 0.00 O ATOM 0 H GLY A 21 -1.068 4.304 12.115 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.346 2.531 13.293 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.755 2.717 14.318 1.00 0.00 H new ATOM 337 N ASP A 22 -1.539 0.930 11.537 1.00 0.00 N ATOM 338 CA ASP A 22 -2.017 -0.276 10.874 1.00 0.00 C ATOM 339 C ASP A 22 -3.523 -0.194 10.623 1.00 0.00 C ATOM 340 O ASP A 22 -4.327 -0.622 11.450 1.00 0.00 O ATOM 341 CB ASP A 22 -1.693 -1.520 11.706 1.00 0.00 C ATOM 342 CG ASP A 22 -0.523 -1.312 12.652 1.00 0.00 C ATOM 343 OD1 ASP A 22 -0.756 -0.861 13.793 1.00 0.00 O ATOM 344 OD2 ASP A 22 0.624 -1.602 12.251 1.00 0.00 O ATOM 0 H ASP A 22 -0.817 1.434 11.021 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.505 -0.355 9.915 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.573 -1.804 12.282 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.469 -2.350 11.036 1.00 0.00 H new ATOM 349 N CYS A 23 -3.889 0.365 9.476 1.00 0.00 N ATOM 350 CA CYS A 23 -5.291 0.521 9.096 1.00 0.00 C ATOM 351 C CYS A 23 -5.428 0.464 7.584 1.00 0.00 C ATOM 352 O CYS A 23 -4.520 0.003 6.893 1.00 0.00 O ATOM 353 CB CYS A 23 -5.834 1.845 9.634 1.00 0.00 C ATOM 354 SG CYS A 23 -6.015 1.882 11.431 1.00 0.00 S ATOM 0 H CYS A 23 -3.228 0.722 8.786 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.872 -0.294 9.529 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.167 2.651 9.329 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.803 2.042 9.176 1.00 0.00 H new ATOM 0 HG CYS A 23 -5.273 2.829 11.923 1.00 0.00 H new ATOM 360 N THR A 24 -6.557 0.930 7.065 1.00 0.00 N ATOM 361 CA THR A 24 -6.776 0.914 5.630 1.00 0.00 C ATOM 362 C THR A 24 -6.614 2.305 5.047 1.00 0.00 C ATOM 363 O THR A 24 -6.890 3.298 5.707 1.00 0.00 O ATOM 364 CB THR A 24 -8.153 0.348 5.303 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.910 0.133 6.482 1.00 0.00 O ATOM 366 CG2 THR A 24 -8.074 -0.961 4.563 1.00 0.00 C ATOM 0 H THR A 24 -7.325 1.319 7.612 1.00 0.00 H new ATOM 0 HA THR A 24 -6.025 0.267 5.177 1.00 0.00 H new ATOM 0 HB THR A 24 -8.636 1.091 4.668 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.800 0.528 6.376 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.081 -1.322 4.354 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.538 -0.817 3.625 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.546 -1.693 5.174 1.00 0.00 H new ATOM 374 N GLY A 25 -6.141 2.371 3.812 1.00 0.00 N ATOM 375 CA GLY A 25 -5.927 3.652 3.182 1.00 0.00 C ATOM 376 C GLY A 25 -6.972 3.992 2.143 1.00 0.00 C ATOM 377 O GLY A 25 -7.404 3.137 1.370 1.00 0.00 O ATOM 0 H GLY A 25 -5.903 1.562 3.238 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.920 4.428 3.947 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.943 3.658 2.713 1.00 0.00 H new ATOM 381 N LYS A 26 -7.361 5.257 2.124 1.00 0.00 N ATOM 382 CA LYS A 26 -8.347 5.752 1.166 1.00 0.00 C ATOM 383 C LYS A 26 -7.642 6.554 0.077 1.00 0.00 C ATOM 384 O LYS A 26 -6.944 7.524 0.370 1.00 0.00 O ATOM 385 CB LYS A 26 -9.384 6.629 1.873 1.00 0.00 C ATOM 386 CG LYS A 26 -10.680 6.800 1.098 1.00 0.00 C ATOM 387 CD LYS A 26 -10.479 7.646 -0.150 1.00 0.00 C ATOM 388 CE LYS A 26 -11.589 8.673 -0.314 1.00 0.00 C ATOM 389 NZ LYS A 26 -11.776 9.491 0.917 1.00 0.00 N ATOM 0 H LYS A 26 -7.008 5.967 2.765 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.861 4.903 0.715 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.610 6.194 2.847 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.950 7.612 2.056 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.068 5.821 0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.428 7.267 1.738 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.517 8.155 -0.094 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.448 7.000 -1.027 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.356 9.328 -1.153 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.522 8.164 -0.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.070 10.453 0.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.508 9.057 1.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.881 9.535 1.444 1.00 0.00 H new ATOM 403 N LEU A 27 -7.803 6.139 -1.177 1.00 0.00 N ATOM 404 CA LEU A 27 -7.147 6.824 -2.288 1.00 0.00 C ATOM 405 C LEU A 27 -8.117 7.686 -3.088 1.00 0.00 C ATOM 406 O LEU A 27 -9.303 7.378 -3.201 1.00 0.00 O ATOM 407 CB LEU A 27 -6.472 5.814 -3.218 1.00 0.00 C ATOM 408 CG LEU A 27 -5.706 6.435 -4.390 1.00 0.00 C ATOM 409 CD1 LEU A 27 -4.452 5.631 -4.699 1.00 0.00 C ATOM 410 CD2 LEU A 27 -6.598 6.534 -5.620 1.00 0.00 C ATOM 0 H LEU A 27 -8.376 5.340 -1.448 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.395 7.482 -1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.782 5.206 -2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.232 5.141 -3.614 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.403 7.442 -4.105 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.923 6.089 -5.535 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.804 5.617 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.730 4.610 -4.961 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.036 6.978 -6.442 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.935 5.538 -5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.463 7.158 -5.393 1.00 0.00 H new ATOM 422 N ARG A 28 -7.579 8.772 -3.641 1.00 0.00 N ATOM 423 CA ARG A 28 -8.341 9.724 -4.446 1.00 0.00 C ATOM 424 C ARG A 28 -7.565 11.035 -4.550 1.00 0.00 C ATOM 425 O ARG A 28 -8.059 12.098 -4.176 1.00 0.00 O ATOM 426 CB ARG A 28 -9.730 9.971 -3.838 1.00 0.00 C ATOM 427 CG ARG A 28 -10.864 9.370 -4.655 1.00 0.00 C ATOM 428 CD ARG A 28 -11.775 8.499 -3.803 1.00 0.00 C ATOM 429 NE ARG A 28 -12.083 7.227 -4.455 1.00 0.00 N ATOM 430 CZ ARG A 28 -13.000 7.086 -5.409 1.00 0.00 C ATOM 431 NH1 ARG A 28 -13.701 8.133 -5.825 1.00 0.00 N ATOM 432 NH2 ARG A 28 -13.215 5.895 -5.949 1.00 0.00 N ATOM 0 H ARG A 28 -6.594 9.017 -3.542 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.483 9.307 -5.443 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.757 9.554 -2.831 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.891 11.045 -3.742 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.448 10.170 -5.110 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.450 8.775 -5.469 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.298 8.308 -2.842 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.702 9.035 -3.598 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.565 6.399 -4.161 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.538 9.052 -5.413 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.403 8.019 -6.557 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -12.678 5.087 -5.633 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -13.918 5.786 -6.680 1.00 0.00 H new ATOM 446 N GLY A 29 -6.326 10.941 -5.030 1.00 0.00 N ATOM 447 CA GLY A 29 -5.477 12.114 -5.138 1.00 0.00 C ATOM 448 C GLY A 29 -4.654 12.319 -3.878 1.00 0.00 C ATOM 449 O GLY A 29 -3.766 13.169 -3.828 1.00 0.00 O ATOM 0 H GLY A 29 -5.896 10.072 -5.346 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.812 12.007 -5.995 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.092 12.995 -5.320 1.00 0.00 H new ATOM 453 N ASN A 30 -4.965 11.521 -2.859 1.00 0.00 N ATOM 454 CA ASN A 30 -4.283 11.568 -1.572 1.00 0.00 C ATOM 455 C ASN A 30 -4.643 10.312 -0.784 1.00 0.00 C ATOM 456 O ASN A 30 -5.629 9.646 -1.101 1.00 0.00 O ATOM 457 CB ASN A 30 -4.685 12.845 -0.809 1.00 0.00 C ATOM 458 CG ASN A 30 -5.186 12.582 0.602 1.00 0.00 C ATOM 459 OD1 ASN A 30 -6.298 11.864 0.710 1.00 0.00 O flip ATOM 460 ND2 ASN A 30 -4.581 13.020 1.580 1.00 0.00 N flip ATOM 0 H ASN A 30 -5.703 10.819 -2.906 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.203 11.598 -1.716 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.826 13.514 -0.761 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.462 13.363 -1.370 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.730 13.567 1.450 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.930 12.836 2.520 1.00 0.00 H new ATOM 467 N VAL A 31 -3.874 9.992 0.248 1.00 0.00 N ATOM 468 CA VAL A 31 -4.179 8.818 1.054 1.00 0.00 C ATOM 469 C VAL A 31 -4.790 9.221 2.382 1.00 0.00 C ATOM 470 O VAL A 31 -4.307 10.125 3.064 1.00 0.00 O ATOM 471 CB VAL A 31 -2.955 7.918 1.304 1.00 0.00 C ATOM 472 CG1 VAL A 31 -1.825 8.696 1.950 1.00 0.00 C ATOM 473 CG2 VAL A 31 -3.338 6.719 2.160 1.00 0.00 C ATOM 0 H VAL A 31 -3.051 10.517 0.543 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.897 8.236 0.476 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.603 7.556 0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.975 8.034 2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.526 9.515 1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.161 9.099 2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.460 6.095 2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.724 7.065 3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.105 6.137 1.649 1.00 0.00 H new ATOM 483 N ALA A 32 -5.864 8.537 2.730 1.00 0.00 N ATOM 484 CA ALA A 32 -6.581 8.795 3.968 1.00 0.00 C ATOM 485 C ALA A 32 -6.456 7.614 4.916 1.00 0.00 C ATOM 486 O ALA A 32 -6.035 6.528 4.514 1.00 0.00 O ATOM 487 CB ALA A 32 -8.043 9.103 3.685 1.00 0.00 C ATOM 0 H ALA A 32 -6.264 7.788 2.165 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.134 9.666 4.447 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.563 9.293 4.624 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.112 9.984 3.047 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.503 8.253 3.181 1.00 0.00 H new ATOM 493 N ALA A 33 -6.824 7.836 6.174 1.00 0.00 N ATOM 494 CA ALA A 33 -6.744 6.796 7.188 1.00 0.00 C ATOM 495 C ALA A 33 -8.119 6.204 7.456 1.00 0.00 C ATOM 496 O ALA A 33 -8.980 6.827 8.078 1.00 0.00 O ATOM 497 CB ALA A 33 -6.152 7.359 8.470 1.00 0.00 C ATOM 0 H ALA A 33 -7.181 8.729 6.514 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.094 6.002 6.820 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.097 6.572 9.222 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.151 7.742 8.271 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.783 8.168 8.838 1.00 0.00 H new ATOM 503 N ASN A 34 -8.306 4.994 6.952 1.00 0.00 N ATOM 504 CA ASN A 34 -9.557 4.267 7.081 1.00 0.00 C ATOM 505 C ASN A 34 -9.560 3.385 8.325 1.00 0.00 C ATOM 506 O ASN A 34 -8.789 2.426 8.422 1.00 0.00 O ATOM 507 CB ASN A 34 -9.766 3.413 5.832 1.00 0.00 C ATOM 508 CG ASN A 34 -11.170 2.866 5.723 1.00 0.00 C ATOM 509 OD1 ASN A 34 -11.280 1.581 5.409 1.00 0.00 O flip ATOM 510 ND2 ASN A 34 -12.148 3.588 5.917 1.00 0.00 N flip ATOM 0 H ASN A 34 -7.587 4.486 6.438 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.371 4.985 7.183 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -9.545 4.011 4.948 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.058 2.584 5.842 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.017 4.571 6.156 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.089 3.203 5.838 1.00 0.00 H new ATOM 517 N LYS A 35 -10.435 3.719 9.269 1.00 0.00 N ATOM 518 CA LYS A 35 -10.556 2.970 10.514 1.00 0.00 C ATOM 519 C LYS A 35 -12.019 2.636 10.799 1.00 0.00 C ATOM 520 O LYS A 35 -12.473 2.718 11.941 1.00 0.00 O ATOM 521 CB LYS A 35 -9.972 3.784 11.673 1.00 0.00 C ATOM 522 CG LYS A 35 -9.025 2.996 12.563 1.00 0.00 C ATOM 523 CD LYS A 35 -7.860 3.854 13.033 1.00 0.00 C ATOM 524 CE LYS A 35 -8.319 4.955 13.975 1.00 0.00 C ATOM 525 NZ LYS A 35 -7.191 5.833 14.395 1.00 0.00 N ATOM 0 H LYS A 35 -11.075 4.510 9.193 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.999 2.038 10.413 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.442 4.646 11.268 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.790 4.170 12.281 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.569 2.614 13.427 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.645 2.132 12.018 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.125 3.226 13.537 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.362 4.297 12.170 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.084 5.557 13.485 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.780 4.510 14.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.546 6.571 15.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.472 5.264 14.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.767 6.278 13.556 1.00 0.00 H new ATOM 539 N GLU A 36 -12.756 2.272 9.753 1.00 0.00 N ATOM 540 CA GLU A 36 -14.171 1.941 9.895 1.00 0.00 C ATOM 541 C GLU A 36 -14.425 0.454 9.669 1.00 0.00 C ATOM 542 O GLU A 36 -15.244 -0.154 10.359 1.00 0.00 O ATOM 543 CB GLU A 36 -15.006 2.768 8.915 1.00 0.00 C ATOM 544 CG GLU A 36 -16.285 3.321 9.524 1.00 0.00 C ATOM 545 CD GLU A 36 -16.412 4.822 9.354 1.00 0.00 C ATOM 546 OE1 GLU A 36 -15.805 5.564 10.155 1.00 0.00 O ATOM 547 OE2 GLU A 36 -17.120 5.256 8.421 1.00 0.00 O ATOM 0 H GLU A 36 -12.398 2.199 8.801 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.467 2.180 10.916 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.402 3.596 8.544 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.261 2.149 8.055 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.143 2.833 9.062 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -16.313 3.076 10.586 1.00 0.00 H new ATOM 554 N THR A 37 -13.725 -0.130 8.703 1.00 0.00 N ATOM 555 CA THR A 37 -13.887 -1.547 8.400 1.00 0.00 C ATOM 556 C THR A 37 -12.549 -2.278 8.524 1.00 0.00 C ATOM 557 O THR A 37 -12.076 -2.494 9.639 1.00 0.00 O ATOM 558 CB THR A 37 -14.500 -1.726 7.010 1.00 0.00 C ATOM 559 OG1 THR A 37 -15.762 -1.089 6.934 1.00 0.00 O ATOM 560 CG2 THR A 37 -14.695 -3.174 6.618 1.00 0.00 C ATOM 0 H THR A 37 -13.043 0.353 8.119 1.00 0.00 H new ATOM 0 HA THR A 37 -14.571 -1.988 9.125 1.00 0.00 H new ATOM 0 HB THR A 37 -13.785 -1.275 6.322 1.00 0.00 H new ATOM 0 HG1 THR A 37 -16.138 -1.213 6.037 1.00 0.00 H new ATOM 0 HG21 THR A 37 -15.133 -3.225 5.621 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.732 -3.684 6.617 1.00 0.00 H new ATOM 0 HG23 THR A 37 -15.361 -3.658 7.333 1.00 0.00 H new ATOM 568 N THR A 38 -11.928 -2.659 7.400 1.00 0.00 N ATOM 569 CA THR A 38 -10.647 -3.359 7.467 1.00 0.00 C ATOM 570 C THR A 38 -10.021 -3.596 6.090 1.00 0.00 C ATOM 571 O THR A 38 -8.837 -3.339 5.904 1.00 0.00 O ATOM 572 CB THR A 38 -10.817 -4.702 8.182 1.00 0.00 C ATOM 573 OG1 THR A 38 -12.135 -5.198 8.017 1.00 0.00 O ATOM 574 CG2 THR A 38 -10.531 -4.630 9.666 1.00 0.00 C ATOM 0 H THR A 38 -12.284 -2.498 6.458 1.00 0.00 H new ATOM 0 HA THR A 38 -9.970 -2.713 8.026 1.00 0.00 H new ATOM 0 HB THR A 38 -10.088 -5.368 7.721 1.00 0.00 H new ATOM 0 HG1 THR A 38 -12.222 -6.057 8.480 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.670 -5.615 10.112 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.503 -4.303 9.823 1.00 0.00 H new ATOM 0 HG23 THR A 38 -11.213 -3.920 10.134 1.00 0.00 H new ATOM 582 N PHE A 39 -10.806 -4.124 5.149 1.00 0.00 N ATOM 583 CA PHE A 39 -10.313 -4.446 3.801 1.00 0.00 C ATOM 584 C PHE A 39 -8.968 -5.160 3.868 1.00 0.00 C ATOM 585 O PHE A 39 -7.998 -4.663 4.431 1.00 0.00 O ATOM 586 CB PHE A 39 -10.236 -3.224 2.889 1.00 0.00 C ATOM 587 CG PHE A 39 -11.412 -2.307 3.029 1.00 0.00 C ATOM 588 CD1 PHE A 39 -11.616 -1.584 4.189 1.00 0.00 C ATOM 589 CD2 PHE A 39 -12.324 -2.182 1.999 1.00 0.00 C ATOM 590 CE1 PHE A 39 -12.708 -0.753 4.315 1.00 0.00 C ATOM 591 CE2 PHE A 39 -13.418 -1.348 2.120 1.00 0.00 C ATOM 592 CZ PHE A 39 -13.610 -0.633 3.281 1.00 0.00 C ATOM 0 H PHE A 39 -11.792 -4.340 5.294 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.045 -5.121 3.357 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -9.324 -2.670 3.111 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.164 -3.556 1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -10.913 -1.671 5.004 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.180 -2.743 1.088 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -12.857 -0.194 5.227 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -14.122 -1.257 1.306 1.00 0.00 H new ATOM 0 HZ PHE A 39 -14.465 0.020 3.381 1.00 0.00 H new ATOM 602 N GLN A 40 -8.940 -6.342 3.294 1.00 0.00 N ATOM 603 CA GLN A 40 -7.742 -7.174 3.282 1.00 0.00 C ATOM 604 C GLN A 40 -7.415 -7.637 1.873 1.00 0.00 C ATOM 605 O GLN A 40 -7.021 -8.782 1.652 1.00 0.00 O ATOM 606 CB GLN A 40 -7.928 -8.388 4.192 1.00 0.00 C ATOM 607 CG GLN A 40 -9.349 -8.936 4.210 1.00 0.00 C ATOM 608 CD GLN A 40 -9.708 -9.679 2.937 1.00 0.00 C ATOM 609 OE1 GLN A 40 -10.500 -9.042 2.082 1.00 0.00 O flip ATOM 610 NE2 GLN A 40 -9.284 -10.814 2.726 1.00 0.00 N flip ATOM 0 H GLN A 40 -9.742 -6.759 2.821 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.912 -6.571 3.652 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.249 -9.178 3.871 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -7.642 -8.115 5.208 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.464 -9.607 5.062 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.049 -8.113 4.355 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.678 -11.267 3.410 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.539 -11.302 1.867 1.00 0.00 H new ATOM 619 N GLY A 41 -7.581 -6.734 0.929 1.00 0.00 N ATOM 620 CA GLY A 41 -7.303 -7.045 -0.456 1.00 0.00 C ATOM 621 C GLY A 41 -8.511 -7.589 -1.199 1.00 0.00 C ATOM 622 O GLY A 41 -8.378 -8.026 -2.334 1.00 0.00 O ATOM 0 H GLY A 41 -7.906 -5.782 1.095 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.949 -6.146 -0.960 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.496 -7.776 -0.503 1.00 0.00 H new ATOM 626 N LEU A 42 -9.688 -7.547 -0.561 1.00 0.00 N ATOM 627 CA LEU A 42 -10.937 -8.027 -1.172 1.00 0.00 C ATOM 628 C LEU A 42 -11.129 -7.449 -2.575 1.00 0.00 C ATOM 629 O LEU A 42 -10.205 -6.894 -3.156 1.00 0.00 O ATOM 630 CB LEU A 42 -12.132 -7.641 -0.298 1.00 0.00 C ATOM 631 CG LEU A 42 -13.247 -8.678 -0.213 1.00 0.00 C ATOM 632 CD1 LEU A 42 -13.221 -9.374 1.136 1.00 0.00 C ATOM 633 CD2 LEU A 42 -14.601 -8.028 -0.449 1.00 0.00 C ATOM 0 H LEU A 42 -9.803 -7.183 0.385 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.872 -9.112 -1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.771 -7.438 0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.553 -6.711 -0.680 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.084 -9.423 -0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -14.023 -10.111 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -12.261 -9.873 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -13.360 -8.638 1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -15.384 -8.784 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -14.773 -7.262 0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -14.618 -7.572 -1.439 1.00 0.00 H new ATOM 645 N THR A 43 -12.335 -7.582 -3.120 1.00 0.00 N ATOM 646 CA THR A 43 -12.616 -7.068 -4.458 1.00 0.00 C ATOM 647 C THR A 43 -13.915 -6.267 -4.501 1.00 0.00 C ATOM 648 O THR A 43 -14.532 -6.133 -5.558 1.00 0.00 O ATOM 649 CB THR A 43 -12.686 -8.216 -5.461 1.00 0.00 C ATOM 650 OG1 THR A 43 -11.755 -9.231 -5.131 1.00 0.00 O ATOM 651 CG2 THR A 43 -12.405 -7.777 -6.880 1.00 0.00 C ATOM 0 H THR A 43 -13.126 -8.036 -2.662 1.00 0.00 H new ATOM 0 HA THR A 43 -11.800 -6.397 -4.725 1.00 0.00 H new ATOM 0 HB THR A 43 -13.708 -8.591 -5.405 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.818 -9.958 -5.785 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.469 -8.637 -7.546 1.00 0.00 H new ATOM 0 HG22 THR A 43 -13.138 -7.029 -7.181 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.405 -7.348 -6.937 1.00 0.00 H new ATOM 659 N ILE A 44 -14.325 -5.729 -3.357 1.00 0.00 N ATOM 660 CA ILE A 44 -15.551 -4.935 -3.283 1.00 0.00 C ATOM 661 C ILE A 44 -16.800 -5.783 -3.523 1.00 0.00 C ATOM 662 O ILE A 44 -17.914 -5.260 -3.550 1.00 0.00 O ATOM 663 CB ILE A 44 -15.538 -3.784 -4.309 1.00 0.00 C ATOM 664 CG1 ILE A 44 -14.139 -3.168 -4.413 1.00 0.00 C ATOM 665 CG2 ILE A 44 -16.564 -2.725 -3.932 1.00 0.00 C ATOM 666 CD1 ILE A 44 -13.392 -3.573 -5.665 1.00 0.00 C ATOM 0 H ILE A 44 -13.830 -5.826 -2.470 1.00 0.00 H new ATOM 0 HA ILE A 44 -15.585 -4.528 -2.272 1.00 0.00 H new ATOM 0 HB ILE A 44 -15.804 -4.190 -5.285 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -14.226 -2.082 -4.387 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -13.556 -3.462 -3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -16.542 -1.920 -4.666 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -17.558 -3.172 -3.913 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.328 -2.324 -2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.410 -3.100 -5.672 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -13.273 -4.656 -5.683 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -13.954 -3.255 -6.543 1.00 0.00 H new ATOM 678 N ALA A 45 -16.617 -7.088 -3.699 1.00 0.00 N ATOM 679 CA ALA A 45 -17.739 -7.987 -3.936 1.00 0.00 C ATOM 680 C ALA A 45 -18.507 -8.254 -2.647 1.00 0.00 C ATOM 681 O ALA A 45 -19.723 -8.447 -2.665 1.00 0.00 O ATOM 682 CB ALA A 45 -17.250 -9.294 -4.541 1.00 0.00 C ATOM 0 H ALA A 45 -15.705 -7.545 -3.682 1.00 0.00 H new ATOM 0 HA ALA A 45 -18.417 -7.505 -4.641 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -18.099 -9.956 -4.713 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -16.750 -9.092 -5.488 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -16.550 -9.772 -3.856 1.00 0.00 H new ATOM 688 N SER A 46 -17.789 -8.263 -1.529 1.00 0.00 N ATOM 689 CA SER A 46 -18.405 -8.508 -0.230 1.00 0.00 C ATOM 690 C SER A 46 -19.036 -7.236 0.327 1.00 0.00 C ATOM 691 O SER A 46 -20.248 -7.172 0.530 1.00 0.00 O ATOM 692 CB SER A 46 -17.371 -9.054 0.757 1.00 0.00 C ATOM 693 OG SER A 46 -18.000 -9.630 1.889 1.00 0.00 O ATOM 0 H SER A 46 -16.782 -8.104 -1.496 1.00 0.00 H new ATOM 0 HA SER A 46 -19.192 -9.250 -0.367 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.751 -9.801 0.262 1.00 0.00 H new ATOM 0 HB3 SER A 46 -16.708 -8.250 1.076 1.00 0.00 H new ATOM 0 HG SER A 46 -17.318 -9.973 2.503 1.00 0.00 H new ATOM 699 N GLY A 47 -18.208 -6.224 0.576 1.00 0.00 N ATOM 700 CA GLY A 47 -18.714 -4.972 1.110 1.00 0.00 C ATOM 701 C GLY A 47 -17.647 -3.899 1.217 1.00 0.00 C ATOM 702 O GLY A 47 -17.688 -3.065 2.121 1.00 0.00 O ATOM 0 H GLY A 47 -17.201 -6.249 0.418 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.521 -4.611 0.473 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.142 -5.151 2.096 1.00 0.00 H new ATOM 706 N ALA A 48 -16.688 -3.918 0.297 1.00 0.00 N ATOM 707 CA ALA A 48 -15.608 -2.936 0.299 1.00 0.00 C ATOM 708 C ALA A 48 -16.023 -1.642 -0.394 1.00 0.00 C ATOM 709 O ALA A 48 -17.207 -1.394 -0.620 1.00 0.00 O ATOM 710 CB ALA A 48 -14.382 -3.513 -0.385 1.00 0.00 C ATOM 0 H ALA A 48 -16.636 -4.601 -0.459 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.374 -2.702 1.337 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.581 -2.774 -0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.055 -4.407 0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.628 -3.773 -1.414 1.00 0.00 H new ATOM 716 N ARG A 49 -15.029 -0.826 -0.736 1.00 0.00 N ATOM 717 CA ARG A 49 -15.264 0.441 -1.413 1.00 0.00 C ATOM 718 C ARG A 49 -14.350 0.565 -2.626 1.00 0.00 C ATOM 719 O ARG A 49 -13.578 -0.346 -2.927 1.00 0.00 O ATOM 720 CB ARG A 49 -15.023 1.612 -0.456 1.00 0.00 C ATOM 721 CG ARG A 49 -15.546 1.371 0.951 1.00 0.00 C ATOM 722 CD ARG A 49 -17.061 1.483 1.012 1.00 0.00 C ATOM 723 NE ARG A 49 -17.688 0.220 1.393 1.00 0.00 N ATOM 724 CZ ARG A 49 -18.981 -0.047 1.221 1.00 0.00 C ATOM 725 NH1 ARG A 49 -19.784 0.854 0.670 1.00 0.00 N ATOM 726 NH2 ARG A 49 -19.472 -1.218 1.600 1.00 0.00 N ATOM 0 H ARG A 49 -14.046 -1.025 -0.552 1.00 0.00 H new ATOM 0 HA ARG A 49 -16.302 0.469 -1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.953 1.814 -0.406 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -15.498 2.505 -0.862 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -15.240 0.381 1.289 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -15.099 2.093 1.634 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -17.339 2.256 1.728 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -17.441 1.798 0.040 1.00 0.00 H new ATOM 0 HE ARG A 49 -17.101 -0.499 1.815 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -19.412 1.757 0.376 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -20.774 0.644 0.541 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -18.859 -1.915 2.024 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -20.463 -1.422 1.468 1.00 0.00 H new ATOM 740 N GLU A 50 -14.436 1.693 -3.318 1.00 0.00 N ATOM 741 CA GLU A 50 -13.609 1.928 -4.495 1.00 0.00 C ATOM 742 C GLU A 50 -12.228 2.438 -4.095 1.00 0.00 C ATOM 743 O GLU A 50 -11.246 2.230 -4.808 1.00 0.00 O ATOM 744 CB GLU A 50 -14.287 2.933 -5.429 1.00 0.00 C ATOM 745 CG GLU A 50 -15.775 2.682 -5.615 1.00 0.00 C ATOM 746 CD GLU A 50 -16.630 3.548 -4.709 1.00 0.00 C ATOM 747 OE1 GLU A 50 -16.370 4.767 -4.635 1.00 0.00 O ATOM 748 OE2 GLU A 50 -17.559 3.006 -4.074 1.00 0.00 O ATOM 0 H GLU A 50 -15.069 2.459 -3.086 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.489 0.980 -5.020 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.143 3.938 -5.033 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.797 2.900 -6.402 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -16.045 2.872 -6.654 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.990 1.632 -5.417 1.00 0.00 H new ATOM 755 N SER A 51 -12.162 3.111 -2.951 1.00 0.00 N ATOM 756 CA SER A 51 -10.905 3.660 -2.452 1.00 0.00 C ATOM 757 C SER A 51 -9.828 2.586 -2.330 1.00 0.00 C ATOM 758 O SER A 51 -8.809 2.637 -3.019 1.00 0.00 O ATOM 759 CB SER A 51 -11.127 4.323 -1.093 1.00 0.00 C ATOM 760 OG SER A 51 -12.367 5.007 -1.055 1.00 0.00 O ATOM 0 H SER A 51 -12.966 3.290 -2.350 1.00 0.00 H new ATOM 0 HA SER A 51 -10.560 4.402 -3.172 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.101 3.567 -0.308 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.316 5.022 -0.889 1.00 0.00 H new ATOM 0 HG SER A 51 -12.791 4.868 -0.182 1.00 0.00 H new ATOM 766 N GLU A 52 -10.047 1.623 -1.436 1.00 0.00 N ATOM 767 CA GLU A 52 -9.083 0.552 -1.213 1.00 0.00 C ATOM 768 C GLU A 52 -8.641 -0.087 -2.522 1.00 0.00 C ATOM 769 O GLU A 52 -7.489 0.048 -2.934 1.00 0.00 O ATOM 770 CB GLU A 52 -9.717 -0.492 -0.311 1.00 0.00 C ATOM 771 CG GLU A 52 -9.879 -0.002 1.108 1.00 0.00 C ATOM 772 CD GLU A 52 -8.605 -0.159 1.895 1.00 0.00 C ATOM 773 OE1 GLU A 52 -8.044 -1.275 1.886 1.00 0.00 O ATOM 774 OE2 GLU A 52 -8.161 0.830 2.516 1.00 0.00 O ATOM 0 H GLU A 52 -10.884 1.564 -0.856 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.195 0.972 -0.741 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.692 -0.770 -0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.103 -1.393 -0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.176 1.047 1.100 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.680 -0.557 1.596 1.00 0.00 H new ATOM 781 N LYS A 53 -9.573 -0.768 -3.171 1.00 0.00 N ATOM 782 CA LYS A 53 -9.305 -1.426 -4.457 1.00 0.00 C ATOM 783 C LYS A 53 -8.427 -0.538 -5.356 1.00 0.00 C ATOM 784 O LYS A 53 -7.358 -0.959 -5.826 1.00 0.00 O ATOM 785 CB LYS A 53 -10.644 -1.787 -5.137 1.00 0.00 C ATOM 786 CG LYS A 53 -10.815 -1.310 -6.580 1.00 0.00 C ATOM 787 CD LYS A 53 -12.058 -0.446 -6.732 1.00 0.00 C ATOM 788 CE LYS A 53 -12.670 -0.585 -8.117 1.00 0.00 C ATOM 789 NZ LYS A 53 -12.303 0.554 -9.004 1.00 0.00 N ATOM 0 H LYS A 53 -10.528 -0.884 -2.833 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.748 -2.347 -4.283 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.757 -2.871 -5.118 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.455 -1.371 -4.540 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.936 -0.743 -6.885 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.885 -2.171 -7.244 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.793 -0.729 -5.979 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.801 0.598 -6.550 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.336 -1.519 -8.569 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.755 -0.642 -8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.740 0.421 -9.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.643 1.443 -8.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.269 0.594 -9.108 1.00 0.00 H new ATOM 803 N VAL A 54 -8.876 0.699 -5.577 1.00 0.00 N ATOM 804 CA VAL A 54 -8.126 1.642 -6.397 1.00 0.00 C ATOM 805 C VAL A 54 -6.736 1.843 -5.811 1.00 0.00 C ATOM 806 O VAL A 54 -5.733 1.823 -6.531 1.00 0.00 O ATOM 807 CB VAL A 54 -8.843 3.007 -6.502 1.00 0.00 C ATOM 808 CG1 VAL A 54 -7.966 4.032 -7.209 1.00 0.00 C ATOM 809 CG2 VAL A 54 -10.175 2.857 -7.223 1.00 0.00 C ATOM 0 H VAL A 54 -9.750 1.066 -5.201 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.052 1.222 -7.400 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.034 3.366 -5.491 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.495 4.983 -7.269 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.040 4.166 -6.650 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.735 3.681 -8.215 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -10.665 3.828 -7.287 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.003 2.470 -8.227 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.811 2.165 -6.671 1.00 0.00 H new ATOM 819 N PHE A 55 -6.681 2.015 -4.492 1.00 0.00 N ATOM 820 CA PHE A 55 -5.411 2.195 -3.811 1.00 0.00 C ATOM 821 C PHE A 55 -4.490 1.029 -4.138 1.00 0.00 C ATOM 822 O PHE A 55 -3.278 1.200 -4.268 1.00 0.00 O ATOM 823 CB PHE A 55 -5.605 2.317 -2.297 1.00 0.00 C ATOM 824 CG PHE A 55 -4.524 3.108 -1.603 1.00 0.00 C ATOM 825 CD1 PHE A 55 -3.369 3.491 -2.274 1.00 0.00 C ATOM 826 CD2 PHE A 55 -4.660 3.460 -0.270 1.00 0.00 C ATOM 827 CE1 PHE A 55 -2.379 4.208 -1.629 1.00 0.00 C ATOM 828 CE2 PHE A 55 -3.673 4.176 0.378 1.00 0.00 C ATOM 829 CZ PHE A 55 -2.532 4.551 -0.302 1.00 0.00 C ATOM 0 H PHE A 55 -7.498 2.033 -3.881 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.958 3.123 -4.160 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.568 2.788 -2.101 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.645 1.317 -1.864 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.243 3.225 -3.313 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.550 3.171 0.269 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.487 4.499 -2.163 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.794 4.443 1.418 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.760 5.112 0.204 1.00 0.00 H new ATOM 839 N ALA A 56 -5.079 -0.155 -4.315 1.00 0.00 N ATOM 840 CA ALA A 56 -4.297 -1.325 -4.677 1.00 0.00 C ATOM 841 C ALA A 56 -3.691 -1.094 -6.040 1.00 0.00 C ATOM 842 O ALA A 56 -2.474 -0.991 -6.184 1.00 0.00 O ATOM 843 CB ALA A 56 -5.148 -2.594 -4.700 1.00 0.00 C ATOM 0 H ALA A 56 -6.080 -0.322 -4.214 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.519 -1.468 -3.927 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.525 -3.445 -4.975 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.577 -2.763 -3.712 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.950 -2.481 -5.429 1.00 0.00 H new ATOM 849 N GLN A 57 -4.563 -0.997 -7.042 1.00 0.00 N ATOM 850 CA GLN A 57 -4.133 -0.768 -8.421 1.00 0.00 C ATOM 851 C GLN A 57 -2.941 0.187 -8.489 1.00 0.00 C ATOM 852 O GLN A 57 -1.957 -0.079 -9.180 1.00 0.00 O ATOM 853 CB GLN A 57 -5.292 -0.206 -9.247 1.00 0.00 C ATOM 854 CG GLN A 57 -6.507 -1.120 -9.294 1.00 0.00 C ATOM 855 CD GLN A 57 -6.752 -1.696 -10.676 1.00 0.00 C ATOM 856 OE1 GLN A 57 -7.202 -0.995 -11.582 1.00 0.00 O ATOM 857 NE2 GLN A 57 -6.457 -2.980 -10.842 1.00 0.00 N ATOM 0 H GLN A 57 -5.573 -1.074 -6.925 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.821 -1.728 -8.833 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.589 0.757 -8.832 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.946 -0.023 -10.264 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.371 -1.935 -8.584 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.388 -0.563 -8.975 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.086 -3.523 -10.062 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.602 -3.423 -11.749 1.00 0.00 H new ATOM 866 N THR A 58 -3.042 1.300 -7.773 1.00 0.00 N ATOM 867 CA THR A 58 -1.982 2.303 -7.764 1.00 0.00 C ATOM 868 C THR A 58 -0.702 1.801 -7.092 1.00 0.00 C ATOM 869 O THR A 58 0.397 2.005 -7.610 1.00 0.00 O ATOM 870 CB THR A 58 -2.469 3.568 -7.058 1.00 0.00 C ATOM 871 OG1 THR A 58 -2.741 3.308 -5.692 1.00 0.00 O ATOM 872 CG2 THR A 58 -3.721 4.154 -7.675 1.00 0.00 C ATOM 0 H THR A 58 -3.847 1.532 -7.191 1.00 0.00 H new ATOM 0 HA THR A 58 -1.740 2.521 -8.804 1.00 0.00 H new ATOM 0 HB THR A 58 -1.659 4.289 -7.167 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.052 2.384 -5.590 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.012 5.049 -7.126 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.527 4.413 -8.716 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.527 3.422 -7.628 1.00 0.00 H new ATOM 880 N VAL A 59 -0.840 1.178 -5.926 1.00 0.00 N ATOM 881 CA VAL A 59 0.321 0.695 -5.183 1.00 0.00 C ATOM 882 C VAL A 59 0.976 -0.529 -5.823 1.00 0.00 C ATOM 883 O VAL A 59 2.181 -0.729 -5.670 1.00 0.00 O ATOM 884 CB VAL A 59 -0.027 0.383 -3.713 1.00 0.00 C ATOM 885 CG1 VAL A 59 -0.987 -0.788 -3.607 1.00 0.00 C ATOM 886 CG2 VAL A 59 1.237 0.106 -2.920 1.00 0.00 C ATOM 0 H VAL A 59 -1.737 0.996 -5.477 1.00 0.00 H new ATOM 0 HA VAL A 59 1.041 1.513 -5.214 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.523 1.258 -3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.211 -0.981 -2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.909 -0.552 -4.138 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.531 -1.674 -4.049 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.976 -0.113 -1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.757 -0.749 -3.352 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.887 0.981 -2.954 1.00 0.00 H new ATOM 896 N LEU A 60 0.208 -1.344 -6.544 1.00 0.00 N ATOM 897 CA LEU A 60 0.787 -2.523 -7.187 1.00 0.00 C ATOM 898 C LEU A 60 1.208 -2.200 -8.615 1.00 0.00 C ATOM 899 O LEU A 60 2.068 -2.872 -9.184 1.00 0.00 O ATOM 900 CB LEU A 60 -0.144 -3.734 -7.144 1.00 0.00 C ATOM 901 CG LEU A 60 -1.360 -3.585 -6.246 1.00 0.00 C ATOM 902 CD1 LEU A 60 -2.622 -3.522 -7.093 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.424 -4.715 -5.227 1.00 0.00 C ATOM 0 H LEU A 60 -0.792 -1.216 -6.696 1.00 0.00 H new ATOM 0 HA LEU A 60 1.674 -2.798 -6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.485 -3.946 -8.157 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.428 -4.600 -6.812 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.277 -2.653 -5.687 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.491 -3.415 -6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.565 -2.667 -7.767 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.715 -4.438 -7.676 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.303 -4.586 -4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.488 -5.671 -5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.527 -4.698 -4.608 1.00 0.00 H new ATOM 915 N SER A 61 0.623 -1.145 -9.183 1.00 0.00 N ATOM 916 CA SER A 61 0.976 -0.722 -10.530 1.00 0.00 C ATOM 917 C SER A 61 2.272 0.079 -10.501 1.00 0.00 C ATOM 918 O SER A 61 3.151 -0.112 -11.341 1.00 0.00 O ATOM 919 CB SER A 61 -0.135 0.123 -11.149 1.00 0.00 C ATOM 920 OG SER A 61 -1.269 -0.668 -11.459 1.00 0.00 O ATOM 0 H SER A 61 -0.092 -0.574 -8.732 1.00 0.00 H new ATOM 0 HA SER A 61 1.112 -1.615 -11.141 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.420 0.916 -10.458 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.233 0.606 -12.054 1.00 0.00 H new ATOM 0 HG SER A 61 -1.777 -0.847 -10.640 1.00 0.00 H new ATOM 926 N HIS A 62 2.390 0.971 -9.516 1.00 0.00 N ATOM 927 CA HIS A 62 3.586 1.787 -9.373 1.00 0.00 C ATOM 928 C HIS A 62 4.793 0.896 -9.124 1.00 0.00 C ATOM 929 O HIS A 62 5.824 1.030 -9.783 1.00 0.00 O ATOM 930 CB HIS A 62 3.418 2.789 -8.228 1.00 0.00 C ATOM 931 CG HIS A 62 3.140 4.185 -8.692 1.00 0.00 C ATOM 932 ND1 HIS A 62 4.121 5.147 -8.816 1.00 0.00 N ATOM 933 CD2 HIS A 62 1.983 4.780 -9.067 1.00 0.00 C ATOM 934 CE1 HIS A 62 3.579 6.273 -9.246 1.00 0.00 C ATOM 935 NE2 HIS A 62 2.284 6.076 -9.406 1.00 0.00 N ATOM 0 H HIS A 62 1.673 1.143 -8.811 1.00 0.00 H new ATOM 0 HA HIS A 62 3.743 2.345 -10.296 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.603 2.459 -7.584 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.323 2.790 -7.621 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.006 4.321 -9.094 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.106 7.197 -9.434 1.00 0.00 H new ATOM 0 HE2 HIS A 62 1.614 6.774 -9.729 1.00 0.00 H new ATOM 944 N VAL A 63 4.654 -0.023 -8.172 1.00 0.00 N ATOM 945 CA VAL A 63 5.739 -0.943 -7.850 1.00 0.00 C ATOM 946 C VAL A 63 6.151 -1.753 -9.074 1.00 0.00 C ATOM 947 O VAL A 63 7.295 -1.676 -9.521 1.00 0.00 O ATOM 948 CB VAL A 63 5.378 -1.910 -6.699 1.00 0.00 C ATOM 949 CG1 VAL A 63 5.507 -1.201 -5.368 1.00 0.00 C ATOM 950 CG2 VAL A 63 3.985 -2.500 -6.861 1.00 0.00 C ATOM 0 H VAL A 63 3.809 -0.149 -7.615 1.00 0.00 H new ATOM 0 HA VAL A 63 6.573 -0.323 -7.521 1.00 0.00 H new ATOM 0 HB VAL A 63 6.081 -2.742 -6.732 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.251 -1.889 -4.563 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.533 -0.856 -5.238 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.831 -0.347 -5.344 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.776 -3.173 -6.029 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.249 -1.696 -6.872 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.931 -3.054 -7.798 1.00 0.00 H new ATOM 960 N ALA A 64 5.209 -2.522 -9.615 1.00 0.00 N ATOM 961 CA ALA A 64 5.458 -3.345 -10.792 1.00 0.00 C ATOM 962 C ALA A 64 6.836 -4.013 -10.746 1.00 0.00 C ATOM 963 O ALA A 64 7.427 -4.279 -11.792 1.00 0.00 O ATOM 964 CB ALA A 64 5.331 -2.500 -12.051 1.00 0.00 C ATOM 0 H ALA A 64 4.258 -2.591 -9.252 1.00 0.00 H new ATOM 0 HA ALA A 64 4.710 -4.138 -10.804 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.518 -3.121 -12.927 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.325 -2.084 -12.110 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.058 -1.689 -12.020 1.00 0.00 H new ATOM 970 N ASN A 65 7.346 -4.278 -9.532 1.00 0.00 N ATOM 971 CA ASN A 65 8.664 -4.911 -9.363 1.00 0.00 C ATOM 972 C ASN A 65 9.243 -4.651 -7.967 1.00 0.00 C ATOM 973 O ASN A 65 9.183 -5.513 -7.091 1.00 0.00 O ATOM 974 CB ASN A 65 9.652 -4.397 -10.416 1.00 0.00 C ATOM 975 CG ASN A 65 9.856 -5.381 -11.553 1.00 0.00 C ATOM 976 OD1 ASN A 65 9.613 -5.062 -12.717 1.00 0.00 O ATOM 977 ND2 ASN A 65 10.305 -6.585 -11.219 1.00 0.00 N ATOM 0 H ASN A 65 6.868 -4.065 -8.657 1.00 0.00 H new ATOM 0 HA ASN A 65 8.519 -5.984 -9.488 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.289 -3.452 -10.819 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.611 -4.193 -9.940 1.00 0.00 H new ATOM 0 HD21 ASN A 65 10.462 -7.289 -11.940 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.493 -6.806 -10.241 1.00 0.00 H new ATOM 984 N VAL A 66 9.823 -3.460 -7.785 1.00 0.00 N ATOM 985 CA VAL A 66 10.440 -3.064 -6.516 1.00 0.00 C ATOM 986 C VAL A 66 11.405 -4.127 -5.994 1.00 0.00 C ATOM 987 O VAL A 66 11.894 -4.962 -6.754 1.00 0.00 O ATOM 988 CB VAL A 66 9.387 -2.744 -5.435 1.00 0.00 C ATOM 989 CG1 VAL A 66 8.459 -1.653 -5.914 1.00 0.00 C ATOM 990 CG2 VAL A 66 8.603 -3.986 -5.037 1.00 0.00 C ATOM 0 H VAL A 66 9.878 -2.746 -8.511 1.00 0.00 H new ATOM 0 HA VAL A 66 11.005 -2.156 -6.727 1.00 0.00 H new ATOM 0 HB VAL A 66 9.912 -2.390 -4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.721 -1.438 -5.141 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.035 -0.753 -6.127 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.950 -1.980 -6.820 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.870 -3.725 -4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.090 -4.388 -5.911 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.287 -4.737 -4.641 1.00 0.00 H new ATOM 1000 N VAL A 67 11.676 -4.087 -4.691 1.00 0.00 N ATOM 1001 CA VAL A 67 12.582 -5.039 -4.066 1.00 0.00 C ATOM 1002 C VAL A 67 12.395 -5.012 -2.551 1.00 0.00 C ATOM 1003 O VAL A 67 13.055 -4.261 -1.833 1.00 0.00 O ATOM 1004 CB VAL A 67 14.057 -4.760 -4.447 1.00 0.00 C ATOM 1005 CG1 VAL A 67 14.631 -3.583 -3.671 1.00 0.00 C ATOM 1006 CG2 VAL A 67 14.902 -6.006 -4.239 1.00 0.00 C ATOM 0 H VAL A 67 11.278 -3.402 -4.049 1.00 0.00 H new ATOM 0 HA VAL A 67 12.340 -6.035 -4.436 1.00 0.00 H new ATOM 0 HB VAL A 67 14.080 -4.492 -5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.667 -3.422 -3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.048 -2.687 -3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 67 14.589 -3.796 -2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 67 15.936 -5.794 -4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 67 14.856 -6.306 -3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.520 -6.813 -4.864 1.00 0.00 H new ATOM 1016 N LEU A 68 11.453 -5.812 -2.081 1.00 0.00 N ATOM 1017 CA LEU A 68 11.126 -5.864 -0.666 1.00 0.00 C ATOM 1018 C LEU A 68 12.092 -6.734 0.128 1.00 0.00 C ATOM 1019 O LEU A 68 12.118 -7.952 -0.027 1.00 0.00 O ATOM 1020 CB LEU A 68 9.700 -6.384 -0.496 1.00 0.00 C ATOM 1021 CG LEU A 68 8.664 -5.702 -1.389 1.00 0.00 C ATOM 1022 CD1 LEU A 68 8.114 -6.683 -2.412 1.00 0.00 C ATOM 1023 CD2 LEU A 68 7.541 -5.111 -0.549 1.00 0.00 C ATOM 0 H LEU A 68 10.898 -6.439 -2.663 1.00 0.00 H new ATOM 0 HA LEU A 68 11.212 -4.852 -0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.690 -7.454 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.403 -6.258 0.545 1.00 0.00 H new ATOM 0 HG LEU A 68 9.152 -4.888 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.378 -6.180 -3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.928 -7.054 -3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.641 -7.519 -1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.813 -4.630 -1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.053 -5.905 0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.952 -4.374 0.141 1.00 0.00 H new ATOM 1035 N THR A 69 12.869 -6.099 0.999 1.00 0.00 N ATOM 1036 CA THR A 69 13.820 -6.819 1.834 1.00 0.00 C ATOM 1037 C THR A 69 13.168 -7.239 3.146 1.00 0.00 C ATOM 1038 O THR A 69 11.975 -7.018 3.350 1.00 0.00 O ATOM 1039 CB THR A 69 15.060 -5.963 2.107 1.00 0.00 C ATOM 1040 OG1 THR A 69 14.842 -5.096 3.205 1.00 0.00 O ATOM 1041 CG2 THR A 69 15.476 -5.110 0.926 1.00 0.00 C ATOM 0 H THR A 69 12.858 -5.089 1.144 1.00 0.00 H new ATOM 0 HA THR A 69 14.132 -7.715 1.298 1.00 0.00 H new ATOM 0 HB THR A 69 15.857 -6.676 2.318 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.647 -4.560 3.363 1.00 0.00 H new ATOM 0 HG21 THR A 69 16.360 -4.530 1.190 1.00 0.00 H new ATOM 0 HG22 THR A 69 15.704 -5.752 0.075 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.664 -4.433 0.662 1.00 0.00 H new ATOM 1049 N GLN A 70 13.957 -7.857 4.022 1.00 0.00 N ATOM 1050 CA GLN A 70 13.465 -8.333 5.323 1.00 0.00 C ATOM 1051 C GLN A 70 12.396 -7.405 5.907 1.00 0.00 C ATOM 1052 O GLN A 70 11.415 -7.866 6.500 1.00 0.00 O ATOM 1053 CB GLN A 70 14.614 -8.484 6.341 1.00 0.00 C ATOM 1054 CG GLN A 70 16.006 -8.188 5.796 1.00 0.00 C ATOM 1055 CD GLN A 70 16.181 -6.738 5.390 1.00 0.00 C ATOM 1056 OE1 GLN A 70 15.542 -5.844 5.946 1.00 0.00 O ATOM 1057 NE2 GLN A 70 17.051 -6.497 4.416 1.00 0.00 N ATOM 0 H GLN A 70 14.946 -8.043 3.858 1.00 0.00 H new ATOM 0 HA GLN A 70 13.017 -9.310 5.139 1.00 0.00 H new ATOM 0 HB2 GLN A 70 14.422 -7.819 7.183 1.00 0.00 H new ATOM 0 HB3 GLN A 70 14.602 -9.502 6.730 1.00 0.00 H new ATOM 0 HG2 GLN A 70 16.749 -8.441 6.552 1.00 0.00 H new ATOM 0 HG3 GLN A 70 16.198 -8.828 4.934 1.00 0.00 H new ATOM 0 HE21 GLN A 70 17.559 -7.269 3.983 1.00 0.00 H new ATOM 0 HE22 GLN A 70 17.211 -5.540 4.101 1.00 0.00 H new ATOM 1066 N GLU A 71 12.591 -6.100 5.739 1.00 0.00 N ATOM 1067 CA GLU A 71 11.652 -5.113 6.259 1.00 0.00 C ATOM 1068 C GLU A 71 10.330 -5.151 5.503 1.00 0.00 C ATOM 1069 O GLU A 71 9.292 -5.491 6.070 1.00 0.00 O ATOM 1070 CB GLU A 71 12.263 -3.712 6.177 1.00 0.00 C ATOM 1071 CG GLU A 71 12.069 -2.890 7.441 1.00 0.00 C ATOM 1072 CD GLU A 71 12.419 -1.428 7.246 1.00 0.00 C ATOM 1073 OE1 GLU A 71 11.738 -0.756 6.443 1.00 0.00 O ATOM 1074 OE2 GLU A 71 13.375 -0.955 7.895 1.00 0.00 O ATOM 0 H GLU A 71 13.391 -5.702 5.247 1.00 0.00 H new ATOM 0 HA GLU A 71 11.450 -5.359 7.302 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.330 -3.801 5.971 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.820 -3.180 5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.032 -2.971 7.767 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.687 -3.304 8.238 1.00 0.00 H new ATOM 1081 N ASP A 72 10.371 -4.801 4.223 1.00 0.00 N ATOM 1082 CA ASP A 72 9.168 -4.798 3.403 1.00 0.00 C ATOM 1083 C ASP A 72 8.559 -6.196 3.334 1.00 0.00 C ATOM 1084 O ASP A 72 7.341 -6.349 3.243 1.00 0.00 O ATOM 1085 CB ASP A 72 9.473 -4.273 2.005 1.00 0.00 C ATOM 1086 CG ASP A 72 10.311 -3.011 2.029 1.00 0.00 C ATOM 1087 OD1 ASP A 72 11.404 -3.035 2.634 1.00 0.00 O ATOM 1088 OD2 ASP A 72 9.876 -1.999 1.443 1.00 0.00 O ATOM 0 H ASP A 72 11.220 -4.517 3.733 1.00 0.00 H new ATOM 0 HA ASP A 72 8.440 -4.132 3.866 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.997 -5.042 1.438 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.537 -4.074 1.483 1.00 0.00 H new ATOM 1093 N THR A 73 9.404 -7.224 3.409 1.00 0.00 N ATOM 1094 CA THR A 73 8.911 -8.596 3.390 1.00 0.00 C ATOM 1095 C THR A 73 8.018 -8.806 4.599 1.00 0.00 C ATOM 1096 O THR A 73 6.806 -8.997 4.465 1.00 0.00 O ATOM 1097 CB THR A 73 10.061 -9.601 3.406 1.00 0.00 C ATOM 1098 OG1 THR A 73 11.118 -9.138 4.222 1.00 0.00 O ATOM 1099 CG2 THR A 73 10.627 -9.887 2.034 1.00 0.00 C ATOM 0 H THR A 73 10.417 -7.133 3.482 1.00 0.00 H new ATOM 0 HA THR A 73 8.348 -8.758 2.471 1.00 0.00 H new ATOM 0 HB THR A 73 9.633 -10.523 3.801 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.045 -9.542 5.112 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.440 -10.608 2.119 1.00 0.00 H new ATOM 0 HG22 THR A 73 9.844 -10.296 1.395 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.006 -8.963 1.597 1.00 0.00 H new ATOM 1107 N ALA A 74 8.614 -8.711 5.790 1.00 0.00 N ATOM 1108 CA ALA A 74 7.849 -8.838 7.022 1.00 0.00 C ATOM 1109 C ALA A 74 6.681 -7.860 6.988 1.00 0.00 C ATOM 1110 O ALA A 74 5.647 -8.077 7.616 1.00 0.00 O ATOM 1111 CB ALA A 74 8.734 -8.577 8.232 1.00 0.00 C ATOM 0 H ALA A 74 9.612 -8.548 5.922 1.00 0.00 H new ATOM 0 HA ALA A 74 7.465 -9.855 7.105 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.144 -8.677 9.143 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.551 -9.299 8.248 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.143 -7.568 8.173 1.00 0.00 H new ATOM 1117 N LYS A 75 6.863 -6.786 6.219 1.00 0.00 N ATOM 1118 CA LYS A 75 5.843 -5.765 6.050 1.00 0.00 C ATOM 1119 C LYS A 75 4.568 -6.383 5.477 1.00 0.00 C ATOM 1120 O LYS A 75 3.497 -6.282 6.077 1.00 0.00 O ATOM 1121 CB LYS A 75 6.375 -4.672 5.122 1.00 0.00 C ATOM 1122 CG LYS A 75 5.867 -3.278 5.435 1.00 0.00 C ATOM 1123 CD LYS A 75 6.780 -2.544 6.400 1.00 0.00 C ATOM 1124 CE LYS A 75 7.988 -1.953 5.692 1.00 0.00 C ATOM 1125 NZ LYS A 75 9.245 -2.179 6.456 1.00 0.00 N ATOM 0 H LYS A 75 7.722 -6.605 5.699 1.00 0.00 H new ATOM 0 HA LYS A 75 5.602 -5.326 7.018 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.464 -4.668 5.173 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.105 -4.921 4.096 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.782 -2.707 4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.866 -3.344 5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.223 -1.748 6.894 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.114 -3.230 7.178 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.081 -2.397 4.701 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.837 -0.883 5.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.063 -1.996 5.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.275 -1.536 7.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.276 -3.163 6.790 1.00 0.00 H new ATOM 1139 N LEU A 76 4.689 -7.044 4.321 1.00 0.00 N ATOM 1140 CA LEU A 76 3.534 -7.693 3.699 1.00 0.00 C ATOM 1141 C LEU A 76 3.012 -8.803 4.604 1.00 0.00 C ATOM 1142 O LEU A 76 1.810 -8.891 4.870 1.00 0.00 O ATOM 1143 CB LEU A 76 3.885 -8.267 2.322 1.00 0.00 C ATOM 1144 CG LEU A 76 3.961 -7.234 1.194 1.00 0.00 C ATOM 1145 CD1 LEU A 76 5.406 -6.965 0.807 1.00 0.00 C ATOM 1146 CD2 LEU A 76 3.164 -7.703 -0.014 1.00 0.00 C ATOM 0 H LEU A 76 5.563 -7.142 3.804 1.00 0.00 H new ATOM 0 HA LEU A 76 2.760 -6.938 3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.845 -8.779 2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.141 -9.019 2.057 1.00 0.00 H new ATOM 0 HG LEU A 76 3.525 -6.302 1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.437 -6.228 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.949 -6.583 1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.870 -7.891 0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.230 -6.956 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.570 -8.649 -0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.121 -7.840 0.270 1.00 0.00 H new ATOM 1158 N LEU A 77 3.927 -9.645 5.089 1.00 0.00 N ATOM 1159 CA LEU A 77 3.552 -10.742 5.978 1.00 0.00 C ATOM 1160 C LEU A 77 2.862 -10.202 7.224 1.00 0.00 C ATOM 1161 O LEU A 77 2.015 -10.870 7.816 1.00 0.00 O ATOM 1162 CB LEU A 77 4.777 -11.564 6.389 1.00 0.00 C ATOM 1163 CG LEU A 77 5.824 -11.776 5.299 1.00 0.00 C ATOM 1164 CD1 LEU A 77 6.838 -12.824 5.730 1.00 0.00 C ATOM 1165 CD2 LEU A 77 5.166 -12.177 3.986 1.00 0.00 C ATOM 0 H LEU A 77 4.924 -9.588 4.882 1.00 0.00 H new ATOM 0 HA LEU A 77 2.865 -11.390 5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.255 -11.072 7.236 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.438 -12.540 6.737 1.00 0.00 H new ATOM 0 HG LEU A 77 6.347 -10.833 5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.577 -12.962 4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.338 -12.494 6.641 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.327 -13.768 5.918 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.932 -12.322 3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.612 -13.105 4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.482 -11.391 3.667 1.00 0.00 H new ATOM 1177 N GLN A 78 3.231 -8.987 7.614 1.00 0.00 N ATOM 1178 CA GLN A 78 2.648 -8.355 8.786 1.00 0.00 C ATOM 1179 C GLN A 78 1.216 -7.918 8.501 1.00 0.00 C ATOM 1180 O GLN A 78 0.305 -8.180 9.286 1.00 0.00 O ATOM 1181 CB GLN A 78 3.487 -7.151 9.218 1.00 0.00 C ATOM 1182 CG GLN A 78 4.515 -7.480 10.289 1.00 0.00 C ATOM 1183 CD GLN A 78 4.502 -6.487 11.435 1.00 0.00 C ATOM 1184 OE1 GLN A 78 4.453 -5.276 11.222 1.00 0.00 O ATOM 1185 NE2 GLN A 78 4.546 -6.997 12.661 1.00 0.00 N ATOM 0 H GLN A 78 3.931 -8.422 7.134 1.00 0.00 H new ATOM 0 HA GLN A 78 2.637 -9.084 9.597 1.00 0.00 H new ATOM 0 HB2 GLN A 78 4.000 -6.744 8.346 1.00 0.00 H new ATOM 0 HB3 GLN A 78 2.823 -6.371 9.590 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.322 -8.480 10.678 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.508 -7.498 9.840 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.586 -8.008 12.792 1.00 0.00 H new ATOM 0 HE22 GLN A 78 4.540 -6.378 13.471 1.00 0.00 H new ATOM 1194 N SER A 79 1.025 -7.253 7.366 1.00 0.00 N ATOM 1195 CA SER A 79 -0.295 -6.782 6.971 1.00 0.00 C ATOM 1196 C SER A 79 -1.271 -7.949 6.853 1.00 0.00 C ATOM 1197 O SER A 79 -2.439 -7.834 7.224 1.00 0.00 O ATOM 1198 CB SER A 79 -0.217 -6.031 5.641 1.00 0.00 C ATOM 1199 OG SER A 79 -0.170 -6.932 4.548 1.00 0.00 O ATOM 0 H SER A 79 1.768 -7.029 6.705 1.00 0.00 H new ATOM 0 HA SER A 79 -0.657 -6.101 7.741 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.082 -5.375 5.539 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.668 -5.395 5.630 1.00 0.00 H new ATOM 0 HG SER A 79 0.524 -7.605 4.709 1.00 0.00 H new ATOM 1205 N THR A 80 -0.784 -9.072 6.331 1.00 0.00 N ATOM 1206 CA THR A 80 -1.620 -10.257 6.166 1.00 0.00 C ATOM 1207 C THR A 80 -1.845 -10.967 7.500 1.00 0.00 C ATOM 1208 O THR A 80 -2.966 -11.359 7.820 1.00 0.00 O ATOM 1209 CB THR A 80 -0.986 -11.221 5.160 1.00 0.00 C ATOM 1210 OG1 THR A 80 -1.871 -12.286 4.860 1.00 0.00 O ATOM 1211 CG2 THR A 80 0.313 -11.825 5.641 1.00 0.00 C ATOM 0 H THR A 80 0.180 -9.186 6.017 1.00 0.00 H new ATOM 0 HA THR A 80 -2.588 -9.931 5.787 1.00 0.00 H new ATOM 0 HB THR A 80 -0.779 -10.617 4.276 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.449 -12.890 4.214 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.706 -12.497 4.878 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.035 -11.031 5.831 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.136 -12.383 6.561 1.00 0.00 H new ATOM 1322 N ASN A 87 -4.291 -10.800 -0.307 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.263 -11.398 -1.638 1.00 0.00 C ATOM 1324 C ASN A 87 -3.023 -10.938 -2.402 1.00 0.00 C ATOM 1325 O ASN A 87 -3.048 -10.739 -3.630 1.00 0.00 O ATOM 1326 CB ASN A 87 -5.533 -11.039 -2.415 1.00 0.00 C ATOM 1327 CG ASN A 87 -6.161 -9.743 -1.960 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -6.887 -9.710 -0.968 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -5.885 -8.670 -2.695 1.00 0.00 N ATOM 0 HA ASN A 87 -4.221 -12.482 -1.528 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.294 -10.967 -3.476 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.258 -11.845 -2.306 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.282 -7.764 -2.445 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -5.276 -8.752 -3.509 1.00 0.00 H new ATOM 1336 N TYR A 88 -1.930 -10.764 -1.667 1.00 0.00 N ATOM 1337 CA TYR A 88 -0.691 -10.329 -2.260 1.00 0.00 C ATOM 1338 C TYR A 88 0.255 -11.504 -2.435 1.00 0.00 C ATOM 1339 O TYR A 88 0.183 -12.486 -1.696 1.00 0.00 O ATOM 1340 CB TYR A 88 -0.060 -9.243 -1.387 1.00 0.00 C ATOM 1341 CG TYR A 88 -0.962 -8.048 -1.180 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -2.151 -8.170 -0.473 1.00 0.00 C ATOM 1343 CD2 TYR A 88 -0.629 -6.801 -1.693 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -2.984 -7.086 -0.284 1.00 0.00 C ATOM 1345 CE2 TYR A 88 -1.456 -5.710 -1.506 1.00 0.00 C ATOM 1346 CZ TYR A 88 -2.632 -5.858 -0.801 1.00 0.00 C ATOM 1347 OH TYR A 88 -3.461 -4.777 -0.615 1.00 0.00 O ATOM 0 H TYR A 88 -1.887 -10.920 -0.660 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.891 -9.913 -3.247 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.197 -9.669 -0.417 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.871 -8.912 -1.846 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.429 -9.130 -0.064 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.291 -6.682 -2.247 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.907 -7.199 0.266 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.183 -4.746 -1.910 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.165 -4.784 -1.296 1.00 0.00 H new ATOM 1357 N ASP A 89 1.133 -11.409 -3.424 1.00 0.00 N ATOM 1358 CA ASP A 89 2.074 -12.468 -3.697 1.00 0.00 C ATOM 1359 C ASP A 89 3.493 -11.896 -3.665 1.00 0.00 C ATOM 1360 O ASP A 89 3.728 -10.742 -4.036 1.00 0.00 O ATOM 1361 CB ASP A 89 1.695 -13.111 -5.040 1.00 0.00 C ATOM 1362 CG ASP A 89 2.878 -13.531 -5.897 1.00 0.00 C ATOM 1363 OD1 ASP A 89 3.904 -13.958 -5.330 1.00 0.00 O ATOM 1364 OD2 ASP A 89 2.767 -13.448 -7.137 1.00 0.00 O ATOM 0 H ASP A 89 1.207 -10.605 -4.047 1.00 0.00 H new ATOM 0 HA ASP A 89 2.042 -13.253 -2.941 1.00 0.00 H new ATOM 0 HB2 ASP A 89 1.075 -13.986 -4.847 1.00 0.00 H new ATOM 0 HB3 ASP A 89 1.085 -12.407 -5.606 1.00 0.00 H new ATOM 1369 N LEU A 90 4.422 -12.686 -3.170 1.00 0.00 N ATOM 1370 CA LEU A 90 5.803 -12.229 -3.032 1.00 0.00 C ATOM 1371 C LEU A 90 6.820 -13.240 -3.554 1.00 0.00 C ATOM 1372 O LEU A 90 6.592 -14.450 -3.527 1.00 0.00 O ATOM 1373 CB LEU A 90 6.101 -11.936 -1.555 1.00 0.00 C ATOM 1374 CG LEU A 90 5.735 -10.531 -1.059 1.00 0.00 C ATOM 1375 CD1 LEU A 90 6.254 -10.320 0.356 1.00 0.00 C ATOM 1376 CD2 LEU A 90 6.295 -9.472 -1.995 1.00 0.00 C ATOM 0 H LEU A 90 4.256 -13.642 -2.856 1.00 0.00 H new ATOM 0 HA LEU A 90 5.900 -11.327 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.567 -12.665 -0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.165 -12.095 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 90 4.649 -10.439 -1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.988 -9.319 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.808 -11.060 1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.338 -10.430 0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.025 -8.482 -1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.381 -9.560 -2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.881 -9.613 -2.993 1.00 0.00 H new ATOM 1388 N ARG A 91 7.962 -12.717 -3.998 1.00 0.00 N ATOM 1389 CA ARG A 91 9.061 -13.542 -4.499 1.00 0.00 C ATOM 1390 C ARG A 91 10.372 -13.047 -3.893 1.00 0.00 C ATOM 1391 O ARG A 91 10.440 -11.922 -3.431 1.00 0.00 O ATOM 1392 CB ARG A 91 9.122 -13.493 -6.028 1.00 0.00 C ATOM 1393 CG ARG A 91 9.012 -14.861 -6.682 1.00 0.00 C ATOM 1394 CD ARG A 91 10.146 -15.106 -7.666 1.00 0.00 C ATOM 1395 NE ARG A 91 9.742 -14.835 -9.043 1.00 0.00 N ATOM 1396 CZ ARG A 91 8.817 -15.534 -9.696 1.00 0.00 C ATOM 1397 NH1 ARG A 91 8.195 -16.545 -9.100 1.00 0.00 N ATOM 1398 NH2 ARG A 91 8.510 -15.221 -10.947 1.00 0.00 N ATOM 0 H ARG A 91 8.151 -11.715 -4.021 1.00 0.00 H new ATOM 0 HA ARG A 91 8.895 -14.579 -4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.317 -12.857 -6.396 1.00 0.00 H new ATOM 0 HB3 ARG A 91 10.060 -13.028 -6.332 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.023 -15.634 -5.914 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.056 -14.941 -7.200 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.995 -14.474 -7.406 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.481 -16.140 -7.583 1.00 0.00 H new ATOM 0 HE ARG A 91 10.196 -14.064 -9.533 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.426 -16.789 -8.137 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.487 -17.077 -9.605 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.983 -14.444 -11.409 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.801 -15.757 -11.447 1.00 0.00 H new ATOM 1412 N SER A 92 11.404 -13.884 -3.878 1.00 0.00 N ATOM 1413 CA SER A 92 12.689 -13.495 -3.293 1.00 0.00 C ATOM 1414 C SER A 92 13.731 -13.167 -4.344 1.00 0.00 C ATOM 1415 O SER A 92 13.613 -13.539 -5.510 1.00 0.00 O ATOM 1416 CB SER A 92 13.217 -14.593 -2.374 1.00 0.00 C ATOM 1417 OG SER A 92 12.156 -15.338 -1.802 1.00 0.00 O ATOM 0 H SER A 92 11.380 -14.829 -4.260 1.00 0.00 H new ATOM 0 HA SER A 92 12.505 -12.589 -2.715 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.870 -15.259 -2.938 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.821 -14.149 -1.583 1.00 0.00 H new ATOM 0 HG SER A 92 12.523 -16.035 -1.219 1.00 0.00 H new ATOM 1423 N VAL A 93 14.748 -12.445 -3.889 1.00 0.00 N ATOM 1424 CA VAL A 93 15.849 -11.999 -4.705 1.00 0.00 C ATOM 1425 C VAL A 93 16.631 -10.950 -3.929 1.00 0.00 C ATOM 1426 O VAL A 93 16.069 -10.132 -3.208 1.00 0.00 O ATOM 1427 CB VAL A 93 15.394 -11.389 -6.053 1.00 0.00 C ATOM 1428 CG1 VAL A 93 15.384 -12.444 -7.150 1.00 0.00 C ATOM 1429 CG2 VAL A 93 14.028 -10.726 -5.923 1.00 0.00 C ATOM 0 H VAL A 93 14.823 -12.151 -2.915 1.00 0.00 H new ATOM 0 HA VAL A 93 16.461 -12.871 -4.936 1.00 0.00 H new ATOM 0 HB VAL A 93 16.113 -10.619 -6.331 1.00 0.00 H new ATOM 0 HG11 VAL A 93 15.061 -11.991 -8.087 1.00 0.00 H new ATOM 0 HG12 VAL A 93 16.387 -12.852 -7.271 1.00 0.00 H new ATOM 0 HG13 VAL A 93 14.697 -13.245 -6.878 1.00 0.00 H new ATOM 0 HG21 VAL A 93 13.734 -10.306 -6.885 1.00 0.00 H new ATOM 0 HG22 VAL A 93 13.292 -11.467 -5.610 1.00 0.00 H new ATOM 0 HG23 VAL A 93 14.079 -9.930 -5.180 1.00 0.00 H new ATOM 1467 N ASN A 97 16.204 -9.647 -0.504 1.00 0.00 N ATOM 1468 CA ASN A 97 15.157 -8.799 -1.043 1.00 0.00 C ATOM 1469 C ASN A 97 14.097 -9.654 -1.716 1.00 0.00 C ATOM 1470 O ASN A 97 14.306 -10.843 -1.943 1.00 0.00 O ATOM 1471 CB ASN A 97 15.695 -7.749 -2.018 1.00 0.00 C ATOM 1472 CG ASN A 97 17.163 -7.425 -1.803 1.00 0.00 C ATOM 1473 OD1 ASN A 97 17.824 -6.949 -2.852 1.00 0.00 O flip ATOM 1474 ND2 ASN A 97 17.695 -7.596 -0.707 1.00 0.00 N flip ATOM 0 HA ASN A 97 14.715 -8.256 -0.208 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.555 -8.105 -3.039 1.00 0.00 H new ATOM 0 HB3 ASN A 97 15.110 -6.835 -1.916 1.00 0.00 H new ATOM 0 HD21 ASN A 97 17.150 -7.964 0.073 1.00 0.00 H new ATOM 0 HD22 ASN A 97 18.681 -7.370 -0.578 1.00 0.00 H new ATOM 1481 N SER A 98 12.956 -9.065 -2.018 1.00 0.00 N ATOM 1482 CA SER A 98 11.885 -9.806 -2.659 1.00 0.00 C ATOM 1483 C SER A 98 11.173 -8.949 -3.687 1.00 0.00 C ATOM 1484 O SER A 98 11.300 -7.728 -3.697 1.00 0.00 O ATOM 1485 CB SER A 98 10.891 -10.324 -1.619 1.00 0.00 C ATOM 1486 OG SER A 98 9.548 -10.148 -2.044 1.00 0.00 O ATOM 0 H SER A 98 12.747 -8.084 -1.832 1.00 0.00 H new ATOM 0 HA SER A 98 12.327 -10.660 -3.173 1.00 0.00 H new ATOM 0 HB2 SER A 98 11.078 -11.381 -1.432 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.046 -9.801 -0.675 1.00 0.00 H new ATOM 0 HG SER A 98 9.315 -10.848 -2.689 1.00 0.00 H new ATOM 1492 N VAL A 99 10.420 -9.606 -4.545 1.00 0.00 N ATOM 1493 CA VAL A 99 9.674 -8.930 -5.582 1.00 0.00 C ATOM 1494 C VAL A 99 8.201 -8.888 -5.213 1.00 0.00 C ATOM 1495 O VAL A 99 7.712 -9.769 -4.498 1.00 0.00 O ATOM 1496 CB VAL A 99 9.877 -9.649 -6.932 1.00 0.00 C ATOM 1497 CG1 VAL A 99 8.612 -10.364 -7.391 1.00 0.00 C ATOM 1498 CG2 VAL A 99 10.365 -8.674 -7.993 1.00 0.00 C ATOM 0 H VAL A 99 10.309 -10.620 -4.542 1.00 0.00 H new ATOM 0 HA VAL A 99 10.037 -7.907 -5.678 1.00 0.00 H new ATOM 0 HB VAL A 99 10.643 -10.411 -6.784 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.799 -10.857 -8.345 1.00 0.00 H new ATOM 0 HG12 VAL A 99 8.325 -11.108 -6.648 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.807 -9.639 -7.509 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.502 -9.202 -8.937 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.629 -7.881 -8.124 1.00 0.00 H new ATOM 0 HG23 VAL A 99 11.314 -8.240 -7.679 1.00 0.00 H new ATOM 1508 N LEU A 100 7.494 -7.872 -5.692 1.00 0.00 N ATOM 1509 CA LEU A 100 6.082 -7.748 -5.385 1.00 0.00 C ATOM 1510 C LEU A 100 5.203 -8.142 -6.547 1.00 0.00 C ATOM 1511 O LEU A 100 5.010 -7.384 -7.498 1.00 0.00 O ATOM 1512 CB LEU A 100 5.712 -6.346 -4.952 1.00 0.00 C ATOM 1513 CG LEU A 100 4.392 -6.223 -4.160 1.00 0.00 C ATOM 1514 CD1 LEU A 100 3.336 -7.202 -4.652 1.00 0.00 C ATOM 1515 CD2 LEU A 100 4.640 -6.421 -2.674 1.00 0.00 C ATOM 0 H LEU A 100 7.872 -7.134 -6.286 1.00 0.00 H new ATOM 0 HA LEU A 100 5.908 -8.437 -4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.521 -5.948 -4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.644 -5.716 -5.839 1.00 0.00 H new ATOM 0 HG LEU A 100 4.010 -5.216 -4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.425 -7.079 -4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.121 -7.007 -5.703 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.705 -8.222 -4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.698 -6.331 -2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.062 -7.411 -2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.338 -5.663 -2.317 1.00 0.00 H new ATOM 1527 N VAL A 101 4.609 -9.305 -6.406 1.00 0.00 N ATOM 1528 CA VAL A 101 3.663 -9.810 -7.367 1.00 0.00 C ATOM 1529 C VAL A 101 2.389 -10.047 -6.588 1.00 0.00 C ATOM 1530 O VAL A 101 2.327 -10.936 -5.764 1.00 0.00 O ATOM 1531 CB VAL A 101 4.139 -11.112 -8.024 1.00 0.00 C ATOM 1532 CG1 VAL A 101 3.163 -11.560 -9.101 1.00 0.00 C ATOM 1533 CG2 VAL A 101 5.537 -10.941 -8.598 1.00 0.00 C ATOM 0 H VAL A 101 4.772 -9.929 -5.616 1.00 0.00 H new ATOM 0 HA VAL A 101 3.528 -9.101 -8.184 1.00 0.00 H new ATOM 0 HB VAL A 101 4.177 -11.888 -7.259 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.520 -12.485 -9.554 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.182 -11.729 -8.656 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.086 -10.788 -9.866 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.857 -11.875 -9.060 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.528 -10.150 -9.348 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.229 -10.676 -7.798 1.00 0.00 H new ATOM 1543 N SER A 102 1.404 -9.201 -6.757 1.00 0.00 N ATOM 1544 CA SER A 102 0.207 -9.339 -5.954 1.00 0.00 C ATOM 1545 C SER A 102 -1.042 -8.941 -6.687 1.00 0.00 C ATOM 1546 O SER A 102 -1.010 -8.079 -7.563 1.00 0.00 O ATOM 1547 CB SER A 102 0.350 -8.469 -4.707 1.00 0.00 C ATOM 1548 OG SER A 102 1.385 -8.952 -3.872 1.00 0.00 O ATOM 0 H SER A 102 1.400 -8.428 -7.423 1.00 0.00 H new ATOM 0 HA SER A 102 0.106 -10.394 -5.698 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.562 -7.440 -4.998 1.00 0.00 H new ATOM 0 HB3 SER A 102 -0.591 -8.457 -4.157 1.00 0.00 H new ATOM 0 HG SER A 102 1.656 -8.248 -3.247 1.00 0.00 H new ATOM 1554 N LEU A 103 -2.153 -9.540 -6.257 1.00 0.00 N ATOM 1555 CA LEU A 103 -3.470 -9.239 -6.788 1.00 0.00 C ATOM 1556 C LEU A 103 -4.363 -10.462 -6.862 1.00 0.00 C ATOM 1557 O LEU A 103 -4.765 -10.904 -7.938 1.00 0.00 O ATOM 1558 CB LEU A 103 -3.454 -8.513 -8.137 1.00 0.00 C ATOM 1559 CG LEU A 103 -3.724 -7.012 -8.049 1.00 0.00 C ATOM 1560 CD1 LEU A 103 -5.209 -6.740 -7.873 1.00 0.00 C ATOM 1561 CD2 LEU A 103 -2.942 -6.399 -6.902 1.00 0.00 C ATOM 0 H LEU A 103 -2.158 -10.251 -5.526 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.893 -8.544 -6.063 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.483 -8.668 -8.608 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.201 -8.967 -8.789 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.397 -6.554 -8.982 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.377 -5.665 -7.813 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.757 -7.146 -8.724 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.560 -7.214 -6.956 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.146 -5.329 -6.853 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.242 -6.868 -5.965 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.876 -6.558 -7.062 1.00 0.00 H new ATOM 1573 N ARG A 104 -4.710 -10.961 -5.694 1.00 0.00 N ATOM 1574 CA ARG A 104 -5.611 -12.091 -5.568 1.00 0.00 C ATOM 1575 C ARG A 104 -6.996 -11.553 -5.177 1.00 0.00 C ATOM 1576 O ARG A 104 -7.832 -12.264 -4.621 1.00 0.00 O ATOM 1577 CB ARG A 104 -5.069 -13.056 -4.512 1.00 0.00 C ATOM 1578 CG ARG A 104 -4.393 -14.286 -5.086 1.00 0.00 C ATOM 1579 CD ARG A 104 -3.107 -13.928 -5.811 1.00 0.00 C ATOM 1580 NE ARG A 104 -1.962 -13.915 -4.904 1.00 0.00 N ATOM 1581 CZ ARG A 104 -1.515 -14.991 -4.260 1.00 0.00 C ATOM 1582 NH1 ARG A 104 -2.091 -16.172 -4.447 1.00 0.00 N ATOM 1583 NH2 ARG A 104 -0.488 -14.888 -3.428 1.00 0.00 N ATOM 0 H ARG A 104 -4.375 -10.595 -4.803 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.692 -12.637 -6.508 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.357 -12.524 -3.881 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -5.890 -13.373 -3.869 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -4.175 -14.991 -4.283 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.073 -14.788 -5.775 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -2.929 -14.645 -6.612 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.213 -12.949 -6.278 1.00 0.00 H new ATOM 0 HE ARG A 104 -1.477 -13.030 -4.755 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -2.881 -16.259 -5.087 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -1.744 -16.993 -3.951 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.040 -13.984 -3.281 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -0.146 -15.713 -2.935 1.00 0.00 H new ATOM 1597 N SER A 105 -7.185 -10.260 -5.478 1.00 0.00 N ATOM 1598 CA SER A 105 -8.401 -9.497 -5.196 1.00 0.00 C ATOM 1599 C SER A 105 -8.014 -8.016 -5.204 1.00 0.00 C ATOM 1600 O SER A 105 -6.828 -7.699 -5.109 1.00 0.00 O ATOM 1601 CB SER A 105 -9.033 -9.912 -3.865 1.00 0.00 C ATOM 1602 OG SER A 105 -9.818 -11.082 -4.015 1.00 0.00 O ATOM 0 H SER A 105 -6.468 -9.701 -5.940 1.00 0.00 H new ATOM 0 HA SER A 105 -9.159 -9.694 -5.954 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.251 -10.088 -3.127 1.00 0.00 H new ATOM 0 HB3 SER A 105 -9.654 -9.100 -3.485 1.00 0.00 H new ATOM 0 HG SER A 105 -9.286 -11.779 -4.453 1.00 0.00 H new ATOM 1608 N ASP A 106 -8.972 -7.105 -5.369 1.00 0.00 N ATOM 1609 CA ASP A 106 -8.621 -5.682 -5.443 1.00 0.00 C ATOM 1610 C ASP A 106 -8.952 -4.899 -4.173 1.00 0.00 C ATOM 1611 O ASP A 106 -10.097 -4.516 -3.938 1.00 0.00 O ATOM 1612 CB ASP A 106 -9.326 -5.039 -6.640 1.00 0.00 C ATOM 1613 CG ASP A 106 -8.383 -4.790 -7.800 1.00 0.00 C ATOM 1614 OD1 ASP A 106 -7.549 -3.866 -7.700 1.00 0.00 O ATOM 1615 OD2 ASP A 106 -8.479 -5.518 -8.810 1.00 0.00 O ATOM 0 H ASP A 106 -9.967 -7.313 -5.452 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.538 -5.638 -5.561 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -10.140 -5.685 -6.969 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.774 -4.095 -6.330 1.00 0.00 H new ATOM 1620 N GLN A 107 -7.914 -4.627 -3.390 1.00 0.00 N ATOM 1621 CA GLN A 107 -8.028 -3.840 -2.167 1.00 0.00 C ATOM 1622 C GLN A 107 -6.633 -3.475 -1.671 1.00 0.00 C ATOM 1623 O GLN A 107 -5.647 -4.087 -2.081 1.00 0.00 O ATOM 1624 CB GLN A 107 -8.818 -4.582 -1.092 1.00 0.00 C ATOM 1625 CG GLN A 107 -10.054 -3.833 -0.618 1.00 0.00 C ATOM 1626 CD GLN A 107 -11.073 -4.744 0.032 1.00 0.00 C ATOM 1627 OE1 GLN A 107 -10.671 -5.419 1.101 1.00 0.00 O flip ATOM 1628 NE2 GLN A 107 -12.205 -4.839 -0.424 1.00 0.00 N flip ATOM 0 H GLN A 107 -6.966 -4.947 -3.586 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.580 -2.927 -2.389 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.120 -5.554 -1.481 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.167 -4.768 -0.238 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -9.757 -3.061 0.092 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -10.514 -3.326 -1.466 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.470 -4.300 -1.249 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.884 -5.457 0.021 1.00 0.00 H new ATOM 1637 N MET A 108 -6.543 -2.488 -0.795 1.00 0.00 N ATOM 1638 CA MET A 108 -5.252 -2.072 -0.266 1.00 0.00 C ATOM 1639 C MET A 108 -5.396 -1.190 0.963 1.00 0.00 C ATOM 1640 O MET A 108 -6.092 -0.175 0.943 1.00 0.00 O ATOM 1641 CB MET A 108 -4.448 -1.374 -1.334 1.00 0.00 C ATOM 1642 CG MET A 108 -2.992 -1.803 -1.290 1.00 0.00 C ATOM 1643 SD MET A 108 -1.879 -0.557 -0.624 1.00 0.00 S ATOM 1644 CE MET A 108 -2.893 0.906 -0.689 1.00 0.00 C ATOM 0 H MET A 108 -7.341 -1.963 -0.437 1.00 0.00 H new ATOM 0 HA MET A 108 -4.720 -2.971 0.046 1.00 0.00 H new ATOM 0 HB2 MET A 108 -4.867 -1.599 -2.315 1.00 0.00 H new ATOM 0 HB3 MET A 108 -4.517 -0.295 -1.198 1.00 0.00 H new ATOM 0 HG2 MET A 108 -2.909 -2.708 -0.688 1.00 0.00 H new ATOM 0 HG3 MET A 108 -2.670 -2.061 -2.299 1.00 0.00 H new ATOM 0 HE1 MET A 108 -2.274 1.786 -0.512 1.00 0.00 H new ATOM 0 HE2 MET A 108 -3.359 0.982 -1.671 1.00 0.00 H new ATOM 0 HE3 MET A 108 -3.667 0.847 0.076 1.00 0.00 H new ATOM 1654 N THR A 109 -4.726 -1.596 2.033 1.00 0.00 N ATOM 1655 CA THR A 109 -4.763 -0.869 3.294 1.00 0.00 C ATOM 1656 C THR A 109 -3.480 -0.065 3.487 1.00 0.00 C ATOM 1657 O THR A 109 -2.478 -0.314 2.817 1.00 0.00 O ATOM 1658 CB THR A 109 -4.934 -1.851 4.458 1.00 0.00 C ATOM 1659 OG1 THR A 109 -3.692 -2.439 4.805 1.00 0.00 O ATOM 1660 CG2 THR A 109 -5.901 -2.976 4.161 1.00 0.00 C ATOM 0 H THR A 109 -4.145 -2.434 2.052 1.00 0.00 H new ATOM 0 HA THR A 109 -5.609 -0.182 3.272 1.00 0.00 H new ATOM 0 HB THR A 109 -5.336 -1.255 5.277 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.458 -3.124 4.144 1.00 0.00 H new ATOM 0 HG21 THR A 109 -5.973 -3.632 5.028 1.00 0.00 H new ATOM 0 HG22 THR A 109 -6.884 -2.561 3.937 1.00 0.00 H new ATOM 0 HG23 THR A 109 -5.544 -3.546 3.303 1.00 0.00 H new ATOM 1668 N LEU A 110 -3.522 0.908 4.400 1.00 0.00 N ATOM 1669 CA LEU A 110 -2.368 1.761 4.680 1.00 0.00 C ATOM 1670 C LEU A 110 -1.068 0.959 4.662 1.00 0.00 C ATOM 1671 O LEU A 110 -0.209 1.178 3.808 1.00 0.00 O ATOM 1672 CB LEU A 110 -2.537 2.455 6.034 1.00 0.00 C ATOM 1673 CG LEU A 110 -3.350 3.753 6.007 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -4.286 3.826 7.205 1.00 0.00 C ATOM 1675 CD2 LEU A 110 -2.423 4.961 5.975 1.00 0.00 C ATOM 0 H LEU A 110 -4.347 1.124 4.959 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.312 2.516 3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.016 1.760 6.723 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.548 2.673 6.438 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.956 3.760 5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.854 4.755 7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.973 2.980 7.182 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.702 3.795 8.125 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.017 5.875 5.956 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.790 4.958 6.863 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.798 4.916 5.083 1.00 0.00 H new ATOM 1687 N GLN A 111 -0.933 0.026 5.605 1.00 0.00 N ATOM 1688 CA GLN A 111 0.264 -0.815 5.690 1.00 0.00 C ATOM 1689 C GLN A 111 0.692 -1.313 4.308 1.00 0.00 C ATOM 1690 O GLN A 111 1.767 -0.963 3.822 1.00 0.00 O ATOM 1691 CB GLN A 111 0.021 -2.006 6.624 1.00 0.00 C ATOM 1692 CG GLN A 111 1.167 -3.010 6.654 1.00 0.00 C ATOM 1693 CD GLN A 111 2.347 -2.538 7.484 1.00 0.00 C ATOM 1694 OE1 GLN A 111 3.024 -1.491 7.020 1.00 0.00 O flip ATOM 1695 NE2 GLN A 111 2.649 -3.108 8.532 1.00 0.00 N flip ATOM 0 H GLN A 111 -1.635 -0.167 6.319 1.00 0.00 H new ATOM 0 HA GLN A 111 1.069 -0.203 6.097 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -0.150 -1.634 7.634 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -0.890 -2.518 6.314 1.00 0.00 H new ATOM 0 HG2 GLN A 111 0.803 -3.956 7.055 1.00 0.00 H new ATOM 0 HG3 GLN A 111 1.501 -3.203 5.634 1.00 0.00 H new ATOM 0 HE21 GLN A 111 2.104 -3.908 8.853 1.00 0.00 H new ATOM 0 HE22 GLN A 111 3.445 -2.781 9.080 1.00 0.00 H new ATOM 1704 N ASP A 112 -0.157 -2.125 3.676 1.00 0.00 N ATOM 1705 CA ASP A 112 0.135 -2.660 2.345 1.00 0.00 C ATOM 1706 C ASP A 112 0.689 -1.568 1.438 1.00 0.00 C ATOM 1707 O ASP A 112 1.642 -1.786 0.680 1.00 0.00 O ATOM 1708 CB ASP A 112 -1.129 -3.257 1.725 1.00 0.00 C ATOM 1709 CG ASP A 112 -1.537 -4.559 2.385 1.00 0.00 C ATOM 1710 OD1 ASP A 112 -0.898 -5.594 2.101 1.00 0.00 O ATOM 1711 OD2 ASP A 112 -2.495 -4.544 3.186 1.00 0.00 O ATOM 0 H ASP A 112 -1.051 -2.426 4.064 1.00 0.00 H new ATOM 0 HA ASP A 112 0.886 -3.444 2.449 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -1.945 -2.539 1.808 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.963 -3.428 0.662 1.00 0.00 H new ATOM 1716 N ALA A 113 0.087 -0.389 1.532 1.00 0.00 N ATOM 1717 CA ALA A 113 0.511 0.745 0.733 1.00 0.00 C ATOM 1718 C ALA A 113 1.960 1.093 1.030 1.00 0.00 C ATOM 1719 O ALA A 113 2.834 0.970 0.174 1.00 0.00 O ATOM 1720 CB ALA A 113 -0.383 1.945 0.998 1.00 0.00 C ATOM 0 H ALA A 113 -0.697 -0.197 2.156 1.00 0.00 H new ATOM 0 HA ALA A 113 0.428 0.474 -0.320 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -0.051 2.787 0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.412 1.696 0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -0.327 2.214 2.053 1.00 0.00 H new ATOM 1726 N LYS A 114 2.201 1.521 2.262 1.00 0.00 N ATOM 1727 CA LYS A 114 3.539 1.885 2.701 1.00 0.00 C ATOM 1728 C LYS A 114 4.514 0.733 2.491 1.00 0.00 C ATOM 1729 O LYS A 114 5.713 0.948 2.341 1.00 0.00 O ATOM 1730 CB LYS A 114 3.523 2.285 4.175 1.00 0.00 C ATOM 1731 CG LYS A 114 2.792 1.288 5.072 1.00 0.00 C ATOM 1732 CD LYS A 114 2.563 1.822 6.484 1.00 0.00 C ATOM 1733 CE LYS A 114 2.240 3.306 6.486 1.00 0.00 C ATOM 1734 NZ LYS A 114 1.005 3.601 5.710 1.00 0.00 N ATOM 0 H LYS A 114 1.482 1.625 2.978 1.00 0.00 H new ATOM 0 HA LYS A 114 3.870 2.733 2.102 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.550 2.391 4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.051 3.263 4.272 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.831 1.038 4.622 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.368 0.364 5.126 1.00 0.00 H new ATOM 0 HD2 LYS A 114 1.746 1.273 6.951 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.453 1.644 7.088 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.116 3.650 7.513 1.00 0.00 H new ATOM 0 HE3 LYS A 114 3.077 3.861 6.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.617 4.518 6.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 1.233 3.637 4.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.301 2.854 5.880 1.00 0.00 H new ATOM 1748 N VAL A 115 3.993 -0.489 2.476 1.00 0.00 N ATOM 1749 CA VAL A 115 4.828 -1.666 2.281 1.00 0.00 C ATOM 1750 C VAL A 115 5.443 -1.665 0.891 1.00 0.00 C ATOM 1751 O VAL A 115 6.671 -1.574 0.721 1.00 0.00 O ATOM 1752 CB VAL A 115 4.017 -2.967 2.455 1.00 0.00 C ATOM 1753 CG1 VAL A 115 4.852 -4.185 2.086 1.00 0.00 C ATOM 1754 CG2 VAL A 115 3.489 -3.094 3.871 1.00 0.00 C ATOM 0 H VAL A 115 3.000 -0.689 2.596 1.00 0.00 H new ATOM 0 HA VAL A 115 5.613 -1.627 3.036 1.00 0.00 H new ATOM 0 HB VAL A 115 3.165 -2.919 1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.256 -5.088 2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 115 5.168 -4.108 1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.730 -4.233 2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 115 2.921 -4.020 3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 115 4.324 -3.107 4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.841 -2.246 4.095 1.00 0.00 H new ATOM 1764 N LEU A 116 4.576 -1.765 -0.104 1.00 0.00 N ATOM 1765 CA LEU A 116 5.013 -1.786 -1.478 1.00 0.00 C ATOM 1766 C LEU A 116 5.674 -0.479 -1.841 1.00 0.00 C ATOM 1767 O LEU A 116 6.568 -0.453 -2.673 1.00 0.00 O ATOM 1768 CB LEU A 116 3.827 -2.046 -2.403 1.00 0.00 C ATOM 1769 CG LEU A 116 3.468 -3.516 -2.594 1.00 0.00 C ATOM 1770 CD1 LEU A 116 3.229 -4.188 -1.252 1.00 0.00 C ATOM 1771 CD2 LEU A 116 2.245 -3.654 -3.488 1.00 0.00 C ATOM 0 H LEU A 116 3.566 -1.833 0.021 1.00 0.00 H new ATOM 0 HA LEU A 116 5.739 -2.590 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.956 -1.523 -2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.044 -1.611 -3.379 1.00 0.00 H new ATOM 0 HG LEU A 116 4.307 -4.014 -3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.974 -5.236 -1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.132 -4.122 -0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.409 -3.689 -0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.003 -4.709 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.400 -3.140 -3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.454 -3.212 -4.462 1.00 0.00 H new ATOM 1783 N LEU A 117 5.233 0.604 -1.211 1.00 0.00 N ATOM 1784 CA LEU A 117 5.804 1.908 -1.489 1.00 0.00 C ATOM 1785 C LEU A 117 7.123 2.092 -0.775 1.00 0.00 C ATOM 1786 O LEU A 117 7.993 2.818 -1.250 1.00 0.00 O ATOM 1787 CB LEU A 117 4.834 3.027 -1.136 1.00 0.00 C ATOM 1788 CG LEU A 117 3.961 3.456 -2.301 1.00 0.00 C ATOM 1789 CD1 LEU A 117 2.681 2.641 -2.339 1.00 0.00 C ATOM 1790 CD2 LEU A 117 3.654 4.942 -2.226 1.00 0.00 C ATOM 0 H LEU A 117 4.490 0.602 -0.512 1.00 0.00 H new ATOM 0 HA LEU A 117 5.993 1.959 -2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 117 4.196 2.700 -0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 117 5.398 3.888 -0.778 1.00 0.00 H new ATOM 0 HG LEU A 117 4.509 3.271 -3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.069 2.964 -3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.925 1.585 -2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 117 2.128 2.788 -1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 117 3.027 5.227 -3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 117 3.129 5.159 -1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.585 5.508 -2.258 1.00 0.00 H new ATOM 1802 N GLU A 118 7.299 1.393 0.331 1.00 0.00 N ATOM 1803 CA GLU A 118 8.557 1.466 1.044 1.00 0.00 C ATOM 1804 C GLU A 118 9.596 0.847 0.149 1.00 0.00 C ATOM 1805 O GLU A 118 10.641 1.438 -0.115 1.00 0.00 O ATOM 1806 CB GLU A 118 8.502 0.738 2.391 1.00 0.00 C ATOM 1807 CG GLU A 118 9.736 0.965 3.252 1.00 0.00 C ATOM 1808 CD GLU A 118 10.569 -0.289 3.427 1.00 0.00 C ATOM 1809 OE1 GLU A 118 10.258 -1.087 4.336 1.00 0.00 O ATOM 1810 OE2 GLU A 118 11.533 -0.474 2.655 1.00 0.00 O ATOM 0 H GLU A 118 6.599 0.779 0.748 1.00 0.00 H new ATOM 0 HA GLU A 118 8.794 2.505 1.275 1.00 0.00 H new ATOM 0 HB2 GLU A 118 7.620 1.069 2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 118 8.384 -0.331 2.213 1.00 0.00 H new ATOM 0 HG2 GLU A 118 10.350 1.744 2.800 1.00 0.00 H new ATOM 0 HG3 GLU A 118 9.428 1.331 4.232 1.00 0.00 H new ATOM 1817 N ALA A 119 9.261 -0.329 -0.370 1.00 0.00 N ATOM 1818 CA ALA A 119 10.142 -1.006 -1.298 1.00 0.00 C ATOM 1819 C ALA A 119 10.085 -0.318 -2.654 1.00 0.00 C ATOM 1820 O ALA A 119 11.034 -0.377 -3.437 1.00 0.00 O ATOM 1821 CB ALA A 119 9.778 -2.477 -1.426 1.00 0.00 C ATOM 0 H ALA A 119 8.394 -0.825 -0.163 1.00 0.00 H new ATOM 0 HA ALA A 119 11.160 -0.951 -0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.456 -2.960 -2.129 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.862 -2.959 -0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.754 -2.568 -1.789 1.00 0.00 H new ATOM 1827 N ALA A 120 8.962 0.350 -2.920 1.00 0.00 N ATOM 1828 CA ALA A 120 8.783 1.059 -4.172 1.00 0.00 C ATOM 1829 C ALA A 120 9.702 2.253 -4.238 1.00 0.00 C ATOM 1830 O ALA A 120 10.543 2.346 -5.123 1.00 0.00 O ATOM 1831 CB ALA A 120 7.347 1.508 -4.364 1.00 0.00 C ATOM 0 H ALA A 120 8.168 0.411 -2.282 1.00 0.00 H new ATOM 0 HA ALA A 120 9.031 0.365 -4.975 1.00 0.00 H new ATOM 0 HB1 ALA A 120 7.255 2.035 -5.313 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.691 0.638 -4.367 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.062 2.174 -3.550 1.00 0.00 H new ATOM 1837 N LEU A 121 9.546 3.170 -3.295 1.00 0.00 N ATOM 1838 CA LEU A 121 10.388 4.343 -3.276 1.00 0.00 C ATOM 1839 C LEU A 121 11.832 3.935 -3.000 1.00 0.00 C ATOM 1840 O LEU A 121 12.773 4.533 -3.513 1.00 0.00 O ATOM 1841 CB LEU A 121 9.907 5.360 -2.246 1.00 0.00 C ATOM 1842 CG LEU A 121 10.172 4.981 -0.800 1.00 0.00 C ATOM 1843 CD1 LEU A 121 11.229 5.885 -0.185 1.00 0.00 C ATOM 1844 CD2 LEU A 121 8.887 5.050 -0.014 1.00 0.00 C ATOM 0 H LEU A 121 8.854 3.122 -2.547 1.00 0.00 H new ATOM 0 HA LEU A 121 10.332 4.822 -4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 121 10.388 6.317 -2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 121 8.835 5.508 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 121 10.553 3.960 -0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 121 11.400 5.592 0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 121 12.159 5.792 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 121 10.887 6.919 -0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 121 9.080 4.777 1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 121 8.489 6.064 -0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 121 8.161 4.358 -0.442 1.00 0.00 H new ATOM 1856 N ARG A 122 11.995 2.892 -2.191 1.00 0.00 N ATOM 1857 CA ARG A 122 13.316 2.385 -1.848 1.00 0.00 C ATOM 1858 C ARG A 122 14.081 1.976 -3.100 1.00 0.00 C ATOM 1859 O ARG A 122 15.263 2.284 -3.249 1.00 0.00 O ATOM 1860 CB ARG A 122 13.172 1.184 -0.901 1.00 0.00 C ATOM 1861 CG ARG A 122 14.293 0.156 -0.989 1.00 0.00 C ATOM 1862 CD ARG A 122 13.939 -1.112 -0.234 1.00 0.00 C ATOM 1863 NE ARG A 122 15.056 -1.598 0.568 1.00 0.00 N ATOM 1864 CZ ARG A 122 15.338 -1.157 1.793 1.00 0.00 C ATOM 1865 NH1 ARG A 122 14.590 -0.215 2.357 1.00 0.00 N ATOM 1866 NH2 ARG A 122 16.372 -1.656 2.455 1.00 0.00 N ATOM 0 H ARG A 122 11.224 2.381 -1.760 1.00 0.00 H new ATOM 0 HA ARG A 122 13.878 3.176 -1.351 1.00 0.00 H new ATOM 0 HB2 ARG A 122 13.117 1.553 0.123 1.00 0.00 H new ATOM 0 HB3 ARG A 122 12.226 0.686 -1.111 1.00 0.00 H new ATOM 0 HG2 ARG A 122 14.489 -0.083 -2.034 1.00 0.00 H new ATOM 0 HG3 ARG A 122 15.211 0.580 -0.582 1.00 0.00 H new ATOM 0 HD2 ARG A 122 13.083 -0.922 0.413 1.00 0.00 H new ATOM 0 HD3 ARG A 122 13.638 -1.884 -0.942 1.00 0.00 H new ATOM 0 HE ARG A 122 15.657 -2.318 0.167 1.00 0.00 H new ATOM 0 HH11 ARG A 122 13.794 0.175 1.852 1.00 0.00 H new ATOM 0 HH12 ARG A 122 14.811 0.118 3.295 1.00 0.00 H new ATOM 0 HH21 ARG A 122 16.952 -2.378 2.027 1.00 0.00 H new ATOM 0 HH22 ARG A 122 16.588 -1.318 3.393 1.00 0.00 H new ATOM 1880 N GLN A 123 13.407 1.243 -3.976 1.00 0.00 N ATOM 1881 CA GLN A 123 14.034 0.746 -5.190 1.00 0.00 C ATOM 1882 C GLN A 123 13.819 1.648 -6.410 1.00 0.00 C ATOM 1883 O GLN A 123 14.651 1.652 -7.318 1.00 0.00 O ATOM 1884 CB GLN A 123 13.509 -0.656 -5.502 1.00 0.00 C ATOM 1885 CG GLN A 123 14.363 -1.416 -6.505 1.00 0.00 C ATOM 1886 CD GLN A 123 13.549 -1.991 -7.648 1.00 0.00 C ATOM 1887 OE1 GLN A 123 12.730 -1.299 -8.252 1.00 0.00 O ATOM 1888 NE2 GLN A 123 13.772 -3.265 -7.950 1.00 0.00 N ATOM 0 H GLN A 123 12.427 0.980 -3.868 1.00 0.00 H new ATOM 0 HA GLN A 123 15.107 0.730 -4.996 1.00 0.00 H new ATOM 0 HB2 GLN A 123 13.454 -1.229 -4.576 1.00 0.00 H new ATOM 0 HB3 GLN A 123 12.493 -0.577 -5.889 1.00 0.00 H new ATOM 0 HG2 GLN A 123 15.125 -0.748 -6.907 1.00 0.00 H new ATOM 0 HG3 GLN A 123 14.885 -2.224 -5.993 1.00 0.00 H new ATOM 0 HE21 GLN A 123 14.461 -3.801 -7.422 1.00 0.00 H new ATOM 0 HE22 GLN A 123 13.254 -3.707 -8.710 1.00 0.00 H new ATOM 1897 N GLU A 124 12.700 2.372 -6.474 1.00 0.00 N ATOM 1898 CA GLU A 124 12.434 3.203 -7.654 1.00 0.00 C ATOM 1899 C GLU A 124 12.837 4.667 -7.499 1.00 0.00 C ATOM 1900 O GLU A 124 13.744 5.143 -8.181 1.00 0.00 O ATOM 1901 CB GLU A 124 10.948 3.159 -8.014 1.00 0.00 C ATOM 1902 CG GLU A 124 10.284 1.809 -7.776 1.00 0.00 C ATOM 1903 CD GLU A 124 10.195 0.974 -9.038 1.00 0.00 C ATOM 1904 OE1 GLU A 124 11.248 0.494 -9.507 1.00 0.00 O ATOM 1905 OE2 GLU A 124 9.072 0.799 -9.556 1.00 0.00 O ATOM 0 H GLU A 124 11.983 2.403 -5.749 1.00 0.00 H new ATOM 0 HA GLU A 124 13.053 2.775 -8.442 1.00 0.00 H new ATOM 0 HB2 GLU A 124 10.423 3.916 -7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.833 3.427 -9.064 1.00 0.00 H new ATOM 0 HG2 GLU A 124 10.846 1.260 -7.020 1.00 0.00 H new ATOM 0 HG3 GLU A 124 9.282 1.966 -7.377 1.00 0.00 H new ATOM 1912 N SER A 125 12.127 5.389 -6.639 1.00 0.00 N ATOM 1913 CA SER A 125 12.389 6.811 -6.451 1.00 0.00 C ATOM 1914 C SER A 125 13.286 7.098 -5.253 1.00 0.00 C ATOM 1915 O SER A 125 14.401 7.596 -5.401 1.00 0.00 O ATOM 1916 CB SER A 125 11.061 7.566 -6.315 1.00 0.00 C ATOM 1917 OG SER A 125 10.603 7.573 -4.975 1.00 0.00 O ATOM 0 H SER A 125 11.371 5.016 -6.065 1.00 0.00 H new ATOM 0 HA SER A 125 12.929 7.159 -7.332 1.00 0.00 H new ATOM 0 HB2 SER A 125 11.187 8.591 -6.663 1.00 0.00 H new ATOM 0 HB3 SER A 125 10.310 7.102 -6.955 1.00 0.00 H new ATOM 0 HG SER A 125 9.725 7.140 -4.927 1.00 0.00 H new