USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 642 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 39 THR OG1 : rot 72:sc= 0.613 USER MOD Set 1.2: A 40 CYS SG : rot -165:sc= 1.68 USER MOD Set 2.1: A 14 ASN : amide:sc= 1.19 K(o=3.4,f=0.67) USER MOD Set 2.2: A 18 THR OG1 : rot -81:sc= 2.17 USER MOD Set 3.1: A 7 SER OG : rot 13:sc= 0.827 USER MOD Set 3.2: A 23 CYS SG : rot -27:sc= -2.6! USER MOD Single : A 2 SER OG : rot 28:sc= -2.27! USER MOD Single : A 3 TYR OH : rot 39:sc= 0.652 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.623 K(o=0.62,f=-0.081) USER MOD Single : A 13 THR OG1 : rot 172:sc= 0.825 USER MOD Single : A 25 ASN : amide:sc= -0.327 K(o=-0.33,f=-9.4!) USER MOD Single : A 29 ASN : amide:sc= 1.08 K(o=1.1,f=-0.023) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 151:sc= 1.29 USER MOD Single : A 43 ASN : amide:sc= -4.97 X(o=-5,f=-5.1!) USER MOD Single : A 45 ASN : amide:sc=-0.00396 K(o=-0.004,f=-0.89) USER MOD Single : A 52 MET CE :methyl -149:sc= -3.44! (180deg=-6.09!) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 54 ASN : amide:sc= 0.0985 X(o=0.098,f=-0.08) USER MOD Single : A 56 SER OG : rot 84:sc= -0.326! USER MOD Single : A 57 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-2.6!) USER MOD Single : A 58 SER OG : rot 140:sc= -0.0491 USER MOD Single : A 59 SER OG : rot -75:sc= 0.489 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -135:sc= 0.0632 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 29:sc= 0.247 USER MOD Single : A 73 CYS SG : rot 180:sc= -1.47 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -2.05! C(o=-2!,f=-3.4!) USER MOD Single : A 91 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.11) USER MOD Single : A 94 GLN :FLIP amide:sc= -0.694 F(o=-2.2!,f=-0.69) USER MOD Single : A 95 ASN : amide:sc= -2.81 K(o=-2.8,f=-7.3!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 GLN :FLIP amide:sc= -0.0626 F(o=-1.3!,f=-0.063) USER MOD ----------------------------------------------------------------- ATOM 16 N SER A 2 1.916 12.083 -1.145 1.00 0.00 N ATOM 17 CA SER A 2 2.342 10.856 -0.502 1.00 0.00 C ATOM 18 C SER A 2 3.859 10.783 -0.451 1.00 0.00 C ATOM 19 O SER A 2 4.537 11.674 -0.961 1.00 0.00 O ATOM 20 CB SER A 2 1.802 9.643 -1.249 1.00 0.00 C ATOM 21 OG SER A 2 0.420 9.780 -1.518 1.00 0.00 O ATOM 0 HA SER A 2 1.947 10.853 0.514 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.346 9.517 -2.185 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.972 8.743 -0.658 1.00 0.00 H new ATOM 0 HG SER A 2 0.194 10.731 -1.591 1.00 0.00 H new ATOM 26 N TYR A 3 4.379 9.723 0.150 1.00 0.00 N ATOM 27 CA TYR A 3 5.821 9.514 0.256 1.00 0.00 C ATOM 28 C TYR A 3 6.507 9.634 -1.106 1.00 0.00 C ATOM 29 O TYR A 3 7.626 10.138 -1.208 1.00 0.00 O ATOM 30 CB TYR A 3 6.101 8.132 0.860 1.00 0.00 C ATOM 31 CG TYR A 3 5.588 6.970 0.029 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.232 6.675 -0.033 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.464 6.173 -0.699 1.00 0.00 C ATOM 34 CE1 TYR A 3 3.763 5.622 -0.792 1.00 0.00 C ATOM 35 CE2 TYR A 3 6.000 5.116 -1.461 1.00 0.00 C ATOM 36 CZ TYR A 3 4.650 4.847 -1.506 1.00 0.00 C ATOM 37 OH TYR A 3 4.182 3.797 -2.259 1.00 0.00 O ATOM 0 H TYR A 3 3.819 8.985 0.577 1.00 0.00 H new ATOM 0 HA TYR A 3 6.227 10.289 0.906 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.177 8.019 0.996 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.648 8.083 1.850 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.532 7.281 0.523 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.523 6.382 -0.669 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.705 5.407 -0.826 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.694 4.504 -2.019 1.00 0.00 H new ATOM 0 HH TYR A 3 3.340 4.053 -2.690 1.00 0.00 H new ATOM 46 N ALA A 4 5.803 9.203 -2.153 1.00 0.00 N ATOM 47 CA ALA A 4 6.320 9.226 -3.520 1.00 0.00 C ATOM 48 C ALA A 4 6.762 10.626 -3.965 1.00 0.00 C ATOM 49 O ALA A 4 7.519 10.756 -4.927 1.00 0.00 O ATOM 50 CB ALA A 4 5.287 8.661 -4.478 1.00 0.00 C ATOM 0 H ALA A 4 4.858 8.828 -2.076 1.00 0.00 H new ATOM 0 HA ALA A 4 7.212 8.599 -3.537 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.682 8.683 -5.494 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.057 7.632 -4.200 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.379 9.262 -4.429 1.00 0.00 H new ATOM 56 N ASP A 5 6.292 11.666 -3.273 1.00 0.00 N ATOM 57 CA ASP A 5 6.672 13.043 -3.602 1.00 0.00 C ATOM 58 C ASP A 5 8.189 13.201 -3.526 1.00 0.00 C ATOM 59 O ASP A 5 8.790 13.969 -4.278 1.00 0.00 O ATOM 60 CB ASP A 5 5.995 14.037 -2.651 1.00 0.00 C ATOM 61 CG ASP A 5 6.396 15.475 -2.931 1.00 0.00 C ATOM 62 OD1 ASP A 5 5.827 16.086 -3.861 1.00 0.00 O ATOM 63 OD2 ASP A 5 7.279 15.999 -2.221 1.00 0.00 O ATOM 0 H ASP A 5 5.650 11.583 -2.485 1.00 0.00 H new ATOM 0 HA ASP A 5 6.340 13.256 -4.618 1.00 0.00 H new ATOM 0 HB2 ASP A 5 4.913 13.941 -2.740 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.254 13.785 -1.623 1.00 0.00 H new ATOM 67 N SER A 6 8.798 12.457 -2.612 1.00 0.00 N ATOM 68 CA SER A 6 10.237 12.476 -2.429 1.00 0.00 C ATOM 69 C SER A 6 10.741 11.047 -2.233 1.00 0.00 C ATOM 70 O SER A 6 11.638 10.789 -1.428 1.00 0.00 O ATOM 71 CB SER A 6 10.606 13.345 -1.225 1.00 0.00 C ATOM 72 OG SER A 6 10.090 14.661 -1.361 1.00 0.00 O ATOM 0 H SER A 6 8.306 11.826 -1.979 1.00 0.00 H new ATOM 0 HA SER A 6 10.709 12.903 -3.314 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.216 12.892 -0.314 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.690 13.386 -1.122 1.00 0.00 H new ATOM 0 HG SER A 6 10.340 15.193 -0.577 1.00 0.00 H new ATOM 77 N SER A 7 10.142 10.119 -2.969 1.00 0.00 N ATOM 78 CA SER A 7 10.512 8.715 -2.883 1.00 0.00 C ATOM 79 C SER A 7 10.343 8.040 -4.240 1.00 0.00 C ATOM 80 O SER A 7 9.467 8.412 -5.022 1.00 0.00 O ATOM 81 CB SER A 7 9.659 8.009 -1.824 1.00 0.00 C ATOM 82 OG SER A 7 10.122 6.694 -1.575 1.00 0.00 O ATOM 0 H SER A 7 9.395 10.317 -3.635 1.00 0.00 H new ATOM 0 HA SER A 7 11.560 8.645 -2.590 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.678 8.584 -0.898 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.621 7.974 -2.156 1.00 0.00 H new ATOM 0 HG SER A 7 11.011 6.580 -1.972 1.00 0.00 H new ATOM 87 N ARG A 8 11.185 7.055 -4.520 1.00 0.00 N ATOM 88 CA ARG A 8 11.126 6.340 -5.790 1.00 0.00 C ATOM 89 C ARG A 8 11.374 4.849 -5.592 1.00 0.00 C ATOM 90 O ARG A 8 11.774 4.420 -4.508 1.00 0.00 O ATOM 91 CB ARG A 8 12.133 6.923 -6.787 1.00 0.00 C ATOM 92 CG ARG A 8 13.562 6.963 -6.273 1.00 0.00 C ATOM 93 CD ARG A 8 14.509 7.559 -7.302 1.00 0.00 C ATOM 94 NE ARG A 8 14.119 8.915 -7.703 1.00 0.00 N ATOM 95 CZ ARG A 8 14.905 9.740 -8.396 1.00 0.00 C ATOM 96 NH1 ARG A 8 16.139 9.375 -8.726 1.00 0.00 N ATOM 97 NH2 ARG A 8 14.467 10.948 -8.730 1.00 0.00 N ATOM 0 H ARG A 8 11.917 6.732 -3.887 1.00 0.00 H new ATOM 0 HA ARG A 8 10.123 6.465 -6.198 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.104 6.333 -7.703 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.824 7.935 -7.049 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.603 7.551 -5.356 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.887 5.954 -6.020 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.519 7.581 -6.892 1.00 0.00 H new ATOM 0 HD3 ARG A 8 14.536 6.916 -8.182 1.00 0.00 H new ATOM 0 HE ARG A 8 13.192 9.246 -7.436 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.491 8.459 -8.449 1.00 0.00 H new ATOM 0 HH12 ARG A 8 16.734 10.011 -9.256 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.530 11.244 -8.457 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.067 11.580 -9.260 1.00 0.00 H new ATOM 108 N ASN A 9 11.132 4.079 -6.654 1.00 0.00 N ATOM 109 CA ASN A 9 11.302 2.624 -6.646 1.00 0.00 C ATOM 110 C ASN A 9 10.457 1.968 -5.560 1.00 0.00 C ATOM 111 O ASN A 9 10.959 1.192 -4.746 1.00 0.00 O ATOM 112 CB ASN A 9 12.776 2.218 -6.496 1.00 0.00 C ATOM 113 CG ASN A 9 13.581 2.502 -7.749 1.00 0.00 C ATOM 114 OD1 ASN A 9 13.526 1.745 -8.718 1.00 0.00 O ATOM 115 ND2 ASN A 9 14.378 3.558 -7.726 1.00 0.00 N ATOM 0 H ASN A 9 10.811 4.449 -7.549 1.00 0.00 H new ATOM 0 HA ASN A 9 10.954 2.265 -7.614 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.215 2.755 -5.655 1.00 0.00 H new ATOM 0 HB3 ASN A 9 12.836 1.155 -6.261 1.00 0.00 H new ATOM 0 HD21 ASN A 9 14.972 3.766 -8.528 1.00 0.00 H new ATOM 0 HD22 ASN A 9 14.398 4.164 -6.906 1.00 0.00 H new ATOM 121 N ALA A 10 9.167 2.287 -5.556 1.00 0.00 N ATOM 122 CA ALA A 10 8.242 1.724 -4.584 1.00 0.00 C ATOM 123 C ALA A 10 7.774 0.343 -5.031 1.00 0.00 C ATOM 124 O ALA A 10 7.162 0.194 -6.092 1.00 0.00 O ATOM 125 CB ALA A 10 7.051 2.650 -4.381 1.00 0.00 C ATOM 0 H ALA A 10 8.739 2.935 -6.218 1.00 0.00 H new ATOM 0 HA ALA A 10 8.763 1.621 -3.632 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.370 2.212 -3.651 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.400 3.617 -4.018 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.529 2.785 -5.328 1.00 0.00 H new ATOM 131 N VAL A 11 8.084 -0.664 -4.228 1.00 0.00 N ATOM 132 CA VAL A 11 7.701 -2.037 -4.524 1.00 0.00 C ATOM 133 C VAL A 11 6.846 -2.612 -3.399 1.00 0.00 C ATOM 134 O VAL A 11 6.718 -2.006 -2.330 1.00 0.00 O ATOM 135 CB VAL A 11 8.937 -2.942 -4.741 1.00 0.00 C ATOM 136 CG1 VAL A 11 9.729 -2.494 -5.960 1.00 0.00 C ATOM 137 CG2 VAL A 11 9.828 -2.953 -3.507 1.00 0.00 C ATOM 0 H VAL A 11 8.605 -0.554 -3.358 1.00 0.00 H new ATOM 0 HA VAL A 11 7.122 -2.015 -5.448 1.00 0.00 H new ATOM 0 HB VAL A 11 8.580 -3.957 -4.915 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.593 -3.145 -6.092 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.095 -2.548 -6.845 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.067 -1.468 -5.817 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.689 -3.597 -3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.170 -1.940 -3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.264 -3.331 -2.654 1.00 0.00 H new ATOM 147 N LEU A 12 6.280 -3.787 -3.639 1.00 0.00 N ATOM 148 CA LEU A 12 5.430 -4.450 -2.660 1.00 0.00 C ATOM 149 C LEU A 12 6.176 -5.610 -2.020 1.00 0.00 C ATOM 150 O LEU A 12 6.502 -6.593 -2.690 1.00 0.00 O ATOM 151 CB LEU A 12 4.143 -4.981 -3.315 1.00 0.00 C ATOM 152 CG LEU A 12 3.107 -3.936 -3.740 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.812 -2.981 -2.596 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.560 -3.183 -4.984 1.00 0.00 C ATOM 0 H LEU A 12 6.396 -4.304 -4.511 1.00 0.00 H new ATOM 0 HA LEU A 12 5.163 -3.717 -1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.423 -5.560 -4.195 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.666 -5.670 -2.618 1.00 0.00 H new ATOM 0 HG LEU A 12 2.184 -4.458 -3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.074 -2.246 -2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.421 -3.541 -1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.729 -2.470 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.803 -2.449 -5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.502 -2.674 -4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.699 -3.887 -5.805 1.00 0.00 H new ATOM 165 N THR A 13 6.439 -5.501 -0.729 1.00 0.00 N ATOM 166 CA THR A 13 7.146 -6.547 -0.016 1.00 0.00 C ATOM 167 C THR A 13 6.229 -7.243 0.981 1.00 0.00 C ATOM 168 O THR A 13 5.094 -6.801 1.213 1.00 0.00 O ATOM 169 CB THR A 13 8.390 -5.992 0.708 1.00 0.00 C ATOM 170 OG1 THR A 13 8.034 -4.869 1.527 1.00 0.00 O ATOM 171 CG2 THR A 13 9.449 -5.580 -0.300 1.00 0.00 C ATOM 0 H THR A 13 6.174 -4.700 -0.156 1.00 0.00 H new ATOM 0 HA THR A 13 7.477 -7.277 -0.755 1.00 0.00 H new ATOM 0 HB THR A 13 8.795 -6.778 1.345 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.802 -4.609 2.078 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.320 -5.190 0.226 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.741 -6.445 -0.895 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.046 -4.808 -0.956 1.00 0.00 H new ATOM 179 N ASN A 14 6.718 -8.348 1.546 1.00 0.00 N ATOM 180 CA ASN A 14 5.956 -9.131 2.517 1.00 0.00 C ATOM 181 C ASN A 14 4.658 -9.624 1.895 1.00 0.00 C ATOM 182 O ASN A 14 3.586 -9.497 2.483 1.00 0.00 O ATOM 183 CB ASN A 14 5.661 -8.302 3.774 1.00 0.00 C ATOM 184 CG ASN A 14 6.862 -8.167 4.693 1.00 0.00 C ATOM 185 OD1 ASN A 14 7.680 -9.080 4.810 1.00 0.00 O ATOM 186 ND2 ASN A 14 6.979 -7.023 5.344 1.00 0.00 N ATOM 0 H ASN A 14 7.645 -8.722 1.345 1.00 0.00 H new ATOM 0 HA ASN A 14 6.557 -9.993 2.808 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.325 -7.309 3.476 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.841 -8.765 4.323 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.769 -6.872 5.971 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.279 -6.291 5.219 1.00 0.00 H new ATOM 192 N GLY A 15 4.756 -10.158 0.682 1.00 0.00 N ATOM 193 CA GLY A 15 3.583 -10.658 -0.012 1.00 0.00 C ATOM 194 C GLY A 15 2.865 -9.565 -0.782 1.00 0.00 C ATOM 195 O GLY A 15 2.315 -9.801 -1.858 1.00 0.00 O ATOM 0 H GLY A 15 5.630 -10.254 0.165 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.880 -11.450 -0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.898 -11.102 0.710 1.00 0.00 H new ATOM 199 N GLY A 16 2.873 -8.364 -0.225 1.00 0.00 N ATOM 200 CA GLY A 16 2.224 -7.237 -0.860 1.00 0.00 C ATOM 201 C GLY A 16 1.434 -6.422 0.136 1.00 0.00 C ATOM 202 O GLY A 16 0.352 -5.933 -0.164 1.00 0.00 O ATOM 0 H GLY A 16 3.322 -8.149 0.665 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.973 -6.605 -1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.561 -7.594 -1.648 1.00 0.00 H new ATOM 206 N ARG A 17 1.979 -6.281 1.331 1.00 0.00 N ATOM 207 CA ARG A 17 1.312 -5.530 2.383 1.00 0.00 C ATOM 208 C ARG A 17 2.215 -4.437 2.927 1.00 0.00 C ATOM 209 O ARG A 17 1.772 -3.543 3.655 1.00 0.00 O ATOM 210 CB ARG A 17 0.890 -6.480 3.498 1.00 0.00 C ATOM 211 CG ARG A 17 2.039 -7.260 4.109 1.00 0.00 C ATOM 212 CD ARG A 17 1.539 -8.476 4.870 1.00 0.00 C ATOM 213 NE ARG A 17 0.805 -9.394 3.998 1.00 0.00 N ATOM 214 CZ ARG A 17 0.922 -10.723 4.045 1.00 0.00 C ATOM 215 NH1 ARG A 17 1.680 -11.299 4.970 1.00 0.00 N ATOM 216 NH2 ARG A 17 0.263 -11.482 3.182 1.00 0.00 N ATOM 0 H ARG A 17 2.881 -6.676 1.598 1.00 0.00 H new ATOM 0 HA ARG A 17 0.426 -5.051 1.965 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.395 -5.907 4.282 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.155 -7.183 3.105 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.724 -7.577 3.323 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.603 -6.614 4.782 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.384 -8.998 5.319 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.893 -8.154 5.687 1.00 0.00 H new ATOM 0 HE ARG A 17 0.165 -8.994 3.312 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.178 -10.726 5.651 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.765 -12.315 5.000 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.337 -11.051 2.478 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.355 -12.497 3.221 1.00 0.00 H new ATOM 227 N THR A 18 3.482 -4.517 2.574 1.00 0.00 N ATOM 228 CA THR A 18 4.452 -3.546 3.020 1.00 0.00 C ATOM 229 C THR A 18 5.001 -2.758 1.834 1.00 0.00 C ATOM 230 O THR A 18 5.264 -3.323 0.770 1.00 0.00 O ATOM 231 CB THR A 18 5.603 -4.244 3.758 1.00 0.00 C ATOM 232 OG1 THR A 18 5.069 -5.191 4.696 1.00 0.00 O ATOM 233 CG2 THR A 18 6.468 -3.239 4.494 1.00 0.00 C ATOM 0 H THR A 18 3.862 -5.250 1.976 1.00 0.00 H new ATOM 0 HA THR A 18 3.958 -2.856 3.704 1.00 0.00 H new ATOM 0 HB THR A 18 6.221 -4.757 3.021 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.797 -4.724 5.513 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.275 -3.761 5.008 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.890 -2.531 3.781 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.861 -2.702 5.223 1.00 0.00 H new ATOM 241 N LEU A 19 5.141 -1.455 2.017 1.00 0.00 N ATOM 242 CA LEU A 19 5.662 -0.586 0.973 1.00 0.00 C ATOM 243 C LEU A 19 7.149 -0.354 1.160 1.00 0.00 C ATOM 244 O LEU A 19 7.573 0.180 2.183 1.00 0.00 O ATOM 245 CB LEU A 19 4.958 0.772 0.983 1.00 0.00 C ATOM 246 CG LEU A 19 3.495 0.772 0.552 1.00 0.00 C ATOM 247 CD1 LEU A 19 2.953 2.189 0.564 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.344 0.159 -0.830 1.00 0.00 C ATOM 0 H LEU A 19 4.900 -0.973 2.883 1.00 0.00 H new ATOM 0 HA LEU A 19 5.480 -1.084 0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.019 1.183 1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.508 1.449 0.329 1.00 0.00 H new ATOM 0 HG LEU A 19 2.923 0.168 1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.908 2.181 0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.031 2.600 1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.530 2.805 -0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.293 0.168 -1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.924 0.737 -1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.707 -0.869 -0.814 1.00 0.00 H new ATOM 259 N ARG A 20 7.938 -0.763 0.184 1.00 0.00 N ATOM 260 CA ARG A 20 9.374 -0.559 0.239 1.00 0.00 C ATOM 261 C ARG A 20 9.782 0.411 -0.859 1.00 0.00 C ATOM 262 O ARG A 20 9.549 0.146 -2.037 1.00 0.00 O ATOM 263 CB ARG A 20 10.116 -1.883 0.067 1.00 0.00 C ATOM 264 CG ARG A 20 11.628 -1.733 0.120 1.00 0.00 C ATOM 265 CD ARG A 20 12.343 -3.039 -0.187 1.00 0.00 C ATOM 266 NE ARG A 20 12.115 -4.055 0.837 1.00 0.00 N ATOM 267 CZ ARG A 20 12.780 -5.206 0.904 1.00 0.00 C ATOM 268 NH1 ARG A 20 13.743 -5.474 0.028 1.00 0.00 N ATOM 269 NH2 ARG A 20 12.486 -6.083 1.856 1.00 0.00 N ATOM 0 H ARG A 20 7.609 -1.238 -0.656 1.00 0.00 H new ATOM 0 HA ARG A 20 9.637 -0.146 1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.798 -2.574 0.848 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.835 -2.329 -0.887 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.942 -0.972 -0.594 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.923 -1.383 1.109 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.004 -3.417 -1.151 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.413 -2.851 -0.276 1.00 0.00 H new ATOM 0 HE ARG A 20 11.403 -3.871 1.544 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.974 -4.797 -0.699 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.251 -6.357 0.082 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.752 -5.874 2.533 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.994 -6.966 1.910 1.00 0.00 H new ATOM 280 N ALA A 21 10.388 1.525 -0.478 1.00 0.00 N ATOM 281 CA ALA A 21 10.802 2.528 -1.450 1.00 0.00 C ATOM 282 C ALA A 21 11.993 3.332 -0.950 1.00 0.00 C ATOM 283 O ALA A 21 12.344 3.274 0.232 1.00 0.00 O ATOM 284 CB ALA A 21 9.638 3.460 -1.754 1.00 0.00 C ATOM 0 H ALA A 21 10.604 1.758 0.491 1.00 0.00 H new ATOM 0 HA ALA A 21 11.106 2.011 -2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.952 4.209 -2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.807 2.884 -2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.320 3.956 -0.837 1.00 0.00 H new ATOM 290 N GLU A 22 12.605 4.084 -1.858 1.00 0.00 N ATOM 291 CA GLU A 22 13.743 4.926 -1.519 1.00 0.00 C ATOM 292 C GLU A 22 13.223 6.283 -1.103 1.00 0.00 C ATOM 293 O GLU A 22 12.763 7.054 -1.940 1.00 0.00 O ATOM 294 CB GLU A 22 14.682 5.100 -2.716 1.00 0.00 C ATOM 295 CG GLU A 22 15.129 3.793 -3.340 1.00 0.00 C ATOM 296 CD GLU A 22 16.082 4.014 -4.490 1.00 0.00 C ATOM 297 OE1 GLU A 22 15.645 4.531 -5.538 1.00 0.00 O ATOM 298 OE2 GLU A 22 17.276 3.679 -4.349 1.00 0.00 O ATOM 0 H GLU A 22 12.329 4.127 -2.839 1.00 0.00 H new ATOM 0 HA GLU A 22 14.303 4.453 -0.712 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.180 5.701 -3.475 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.562 5.659 -2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.612 3.176 -2.582 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.257 3.242 -3.692 1.00 0.00 H new ATOM 303 N CYS A 23 13.263 6.563 0.181 1.00 0.00 N ATOM 304 CA CYS A 23 12.776 7.827 0.686 1.00 0.00 C ATOM 305 C CYS A 23 13.927 8.801 0.849 1.00 0.00 C ATOM 306 O CYS A 23 14.875 8.532 1.579 1.00 0.00 O ATOM 307 CB CYS A 23 12.065 7.614 2.020 1.00 0.00 C ATOM 308 SG CYS A 23 10.762 6.366 1.952 1.00 0.00 S ATOM 0 H CYS A 23 13.628 5.932 0.894 1.00 0.00 H new ATOM 0 HA CYS A 23 12.066 8.246 -0.027 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.799 7.321 2.771 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.634 8.560 2.348 1.00 0.00 H new ATOM 0 HG CYS A 23 10.290 6.297 0.743 1.00 0.00 H new ATOM 313 N ARG A 24 13.865 9.913 0.138 1.00 0.00 N ATOM 314 CA ARG A 24 14.894 10.912 0.224 1.00 0.00 C ATOM 315 C ARG A 24 14.799 11.650 1.548 1.00 0.00 C ATOM 316 O ARG A 24 13.839 12.385 1.790 1.00 0.00 O ATOM 317 CB ARG A 24 14.733 11.876 -0.931 1.00 0.00 C ATOM 318 CG ARG A 24 15.955 12.716 -1.192 1.00 0.00 C ATOM 319 CD ARG A 24 15.800 13.445 -2.499 1.00 0.00 C ATOM 320 NE ARG A 24 14.835 14.537 -2.409 1.00 0.00 N ATOM 321 CZ ARG A 24 14.335 15.170 -3.467 1.00 0.00 C ATOM 322 NH1 ARG A 24 14.698 14.813 -4.690 1.00 0.00 N ATOM 323 NH2 ARG A 24 13.472 16.160 -3.306 1.00 0.00 N ATOM 0 H ARG A 24 13.106 10.140 -0.505 1.00 0.00 H new ATOM 0 HA ARG A 24 15.874 10.438 0.170 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.491 11.313 -1.832 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.887 12.533 -0.729 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.097 13.430 -0.381 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.843 12.084 -1.220 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.767 13.841 -2.809 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.481 12.743 -3.269 1.00 0.00 H new ATOM 0 HE ARG A 24 14.527 14.831 -1.482 1.00 0.00 H new ATOM 0 HH11 ARG A 24 15.363 14.051 -4.823 1.00 0.00 H new ATOM 0 HH12 ARG A 24 14.313 15.300 -5.499 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.187 16.441 -2.368 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.091 16.642 -4.120 1.00 0.00 H new ATOM 334 N ASN A 25 15.780 11.436 2.407 1.00 0.00 N ATOM 335 CA ASN A 25 15.797 12.086 3.705 1.00 0.00 C ATOM 336 C ASN A 25 16.331 13.503 3.588 1.00 0.00 C ATOM 337 O ASN A 25 16.875 13.868 2.540 1.00 0.00 O ATOM 338 CB ASN A 25 16.611 11.281 4.731 1.00 0.00 C ATOM 339 CG ASN A 25 18.045 11.003 4.315 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.666 11.776 3.585 1.00 0.00 O ATOM 341 ND2 ASN A 25 18.579 9.891 4.791 1.00 0.00 N ATOM 0 H ASN A 25 16.573 10.819 2.230 1.00 0.00 H new ATOM 0 HA ASN A 25 14.769 12.131 4.064 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.618 11.823 5.677 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.107 10.331 4.912 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.541 9.646 4.556 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.029 9.278 5.393 1.00 0.00 H new ATOM 347 N ALA A 26 16.188 14.285 4.656 1.00 0.00 N ATOM 348 CA ALA A 26 16.640 15.678 4.679 1.00 0.00 C ATOM 349 C ALA A 26 18.096 15.818 4.231 1.00 0.00 C ATOM 350 O ALA A 26 18.473 16.808 3.601 1.00 0.00 O ATOM 351 CB ALA A 26 16.459 16.257 6.073 1.00 0.00 C ATOM 0 H ALA A 26 15.758 13.974 5.527 1.00 0.00 H new ATOM 0 HA ALA A 26 16.029 16.236 3.970 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.797 17.293 6.083 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.406 16.216 6.350 1.00 0.00 H new ATOM 0 HB3 ALA A 26 17.044 15.677 6.787 1.00 0.00 H new ATOM 357 N ASP A 27 18.897 14.801 4.520 1.00 0.00 N ATOM 358 CA ASP A 27 20.312 14.798 4.158 1.00 0.00 C ATOM 359 C ASP A 27 20.488 14.725 2.639 1.00 0.00 C ATOM 360 O ASP A 27 21.568 14.981 2.105 1.00 0.00 O ATOM 361 CB ASP A 27 21.002 13.612 4.835 1.00 0.00 C ATOM 362 CG ASP A 27 22.477 13.519 4.509 1.00 0.00 C ATOM 363 OD1 ASP A 27 23.260 14.332 5.040 1.00 0.00 O ATOM 364 OD2 ASP A 27 22.861 12.626 3.726 1.00 0.00 O ATOM 0 H ASP A 27 18.589 13.960 5.008 1.00 0.00 H new ATOM 0 HA ASP A 27 20.768 15.727 4.500 1.00 0.00 H new ATOM 0 HB2 ASP A 27 20.879 13.696 5.915 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.509 12.689 4.529 1.00 0.00 H new ATOM 368 N GLY A 28 19.407 14.388 1.950 1.00 0.00 N ATOM 369 CA GLY A 28 19.435 14.289 0.506 1.00 0.00 C ATOM 370 C GLY A 28 19.823 12.907 0.048 1.00 0.00 C ATOM 371 O GLY A 28 20.286 12.722 -1.076 1.00 0.00 O ATOM 0 H GLY A 28 18.502 14.179 2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.454 14.543 0.105 1.00 0.00 H new ATOM 0 HA3 GLY A 28 20.141 15.016 0.105 1.00 0.00 H new ATOM 375 N ASN A 29 19.633 11.932 0.920 1.00 0.00 N ATOM 376 CA ASN A 29 19.987 10.558 0.601 1.00 0.00 C ATOM 377 C ASN A 29 18.753 9.683 0.469 1.00 0.00 C ATOM 378 O ASN A 29 17.730 9.935 1.105 1.00 0.00 O ATOM 379 CB ASN A 29 20.902 9.984 1.681 1.00 0.00 C ATOM 380 CG ASN A 29 22.347 9.885 1.239 1.00 0.00 C ATOM 381 OD1 ASN A 29 22.742 8.932 0.563 1.00 0.00 O ATOM 382 ND2 ASN A 29 23.155 10.841 1.654 1.00 0.00 N ATOM 0 H ASN A 29 19.237 12.064 1.851 1.00 0.00 H new ATOM 0 HA ASN A 29 20.508 10.566 -0.356 1.00 0.00 H new ATOM 0 HB2 ASN A 29 20.842 10.610 2.571 1.00 0.00 H new ATOM 0 HB3 ASN A 29 20.545 8.994 1.963 1.00 0.00 H new ATOM 0 HD21 ASN A 29 24.147 10.809 1.417 1.00 0.00 H new ATOM 0 HD22 ASN A 29 22.788 11.612 2.211 1.00 0.00 H new ATOM 388 N TRP A 30 18.854 8.657 -0.365 1.00 0.00 N ATOM 389 CA TRP A 30 17.752 7.734 -0.570 1.00 0.00 C ATOM 390 C TRP A 30 17.862 6.565 0.391 1.00 0.00 C ATOM 391 O TRP A 30 18.743 5.718 0.251 1.00 0.00 O ATOM 392 CB TRP A 30 17.747 7.186 -1.996 1.00 0.00 C ATOM 393 CG TRP A 30 17.537 8.217 -3.055 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.475 8.724 -3.903 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.304 8.861 -3.384 1.00 0.00 C ATOM 396 NE1 TRP A 30 17.898 9.641 -4.744 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.567 9.744 -4.444 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.005 8.775 -2.888 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.576 10.533 -5.014 1.00 0.00 C ATOM 400 CZ3 TRP A 30 14.022 9.562 -3.454 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.311 10.431 -4.509 1.00 0.00 C ATOM 0 H TRP A 30 19.690 8.445 -0.910 1.00 0.00 H new ATOM 0 HA TRP A 30 16.828 8.285 -0.393 1.00 0.00 H new ATOM 0 HB2 TRP A 30 18.695 6.681 -2.181 1.00 0.00 H new ATOM 0 HB3 TRP A 30 16.963 6.433 -2.080 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.518 8.445 -3.912 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.383 10.162 -5.475 1.00 0.00 H new ATOM 0 HE3 TRP A 30 14.771 8.104 -2.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.798 11.205 -5.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.012 9.505 -3.075 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.520 11.033 -4.933 1.00 0.00 H new ATOM 411 N VAL A 31 16.975 6.517 1.359 1.00 0.00 N ATOM 412 CA VAL A 31 16.973 5.431 2.321 1.00 0.00 C ATOM 413 C VAL A 31 15.764 4.536 2.101 1.00 0.00 C ATOM 414 O VAL A 31 14.635 5.012 1.997 1.00 0.00 O ATOM 415 CB VAL A 31 16.999 5.932 3.777 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.406 6.351 4.169 1.00 0.00 C ATOM 417 CG2 VAL A 31 16.033 7.087 3.973 1.00 0.00 C ATOM 0 H VAL A 31 16.245 7.215 1.504 1.00 0.00 H new ATOM 0 HA VAL A 31 17.887 4.860 2.159 1.00 0.00 H new ATOM 0 HB VAL A 31 16.684 5.111 4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.407 6.702 5.201 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.079 5.499 4.076 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.743 7.153 3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 31 16.071 7.421 5.010 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.312 7.910 3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.021 6.759 3.735 1.00 0.00 H new ATOM 427 N THR A 32 16.010 3.242 2.009 1.00 0.00 N ATOM 428 CA THR A 32 14.946 2.285 1.786 1.00 0.00 C ATOM 429 C THR A 32 14.193 1.998 3.082 1.00 0.00 C ATOM 430 O THR A 32 14.747 1.426 4.025 1.00 0.00 O ATOM 431 CB THR A 32 15.504 0.975 1.203 1.00 0.00 C ATOM 432 OG1 THR A 32 16.308 1.263 0.053 1.00 0.00 O ATOM 433 CG2 THR A 32 14.381 0.034 0.810 1.00 0.00 C ATOM 0 H THR A 32 16.940 2.830 2.086 1.00 0.00 H new ATOM 0 HA THR A 32 14.251 2.721 1.068 1.00 0.00 H new ATOM 0 HB THR A 32 16.111 0.491 1.968 1.00 0.00 H new ATOM 0 HG1 THR A 32 16.663 0.427 -0.315 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.802 -0.884 0.401 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.780 -0.202 1.688 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.753 0.511 0.058 1.00 0.00 H new ATOM 441 N SER A 33 12.935 2.413 3.122 1.00 0.00 N ATOM 442 CA SER A 33 12.096 2.208 4.292 1.00 0.00 C ATOM 443 C SER A 33 10.861 1.398 3.924 1.00 0.00 C ATOM 444 O SER A 33 10.465 1.353 2.757 1.00 0.00 O ATOM 445 CB SER A 33 11.689 3.552 4.891 1.00 0.00 C ATOM 446 OG SER A 33 12.825 4.269 5.347 1.00 0.00 O ATOM 0 H SER A 33 12.472 2.896 2.353 1.00 0.00 H new ATOM 0 HA SER A 33 12.666 1.652 5.036 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.158 4.142 4.144 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.999 3.391 5.719 1.00 0.00 H new ATOM 0 HG SER A 33 12.649 5.231 5.289 1.00 0.00 H new ATOM 451 N GLU A 34 10.266 0.748 4.918 1.00 0.00 N ATOM 452 CA GLU A 34 9.082 -0.068 4.692 1.00 0.00 C ATOM 453 C GLU A 34 7.982 0.238 5.705 1.00 0.00 C ATOM 454 O GLU A 34 8.230 0.298 6.911 1.00 0.00 O ATOM 455 CB GLU A 34 9.447 -1.551 4.771 1.00 0.00 C ATOM 456 CG GLU A 34 10.439 -2.001 3.714 1.00 0.00 C ATOM 457 CD GLU A 34 10.718 -3.486 3.781 1.00 0.00 C ATOM 458 OE1 GLU A 34 11.357 -3.931 4.754 1.00 0.00 O ATOM 459 OE2 GLU A 34 10.303 -4.217 2.857 1.00 0.00 O ATOM 0 H GLU A 34 10.585 0.771 5.887 1.00 0.00 H new ATOM 0 HA GLU A 34 8.704 0.170 3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.863 -1.760 5.757 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.537 -2.144 4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.052 -1.751 2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.373 -1.453 3.839 1.00 0.00 H new ATOM 464 N LEU A 35 6.767 0.424 5.207 1.00 0.00 N ATOM 465 CA LEU A 35 5.613 0.698 6.058 1.00 0.00 C ATOM 466 C LEU A 35 4.531 -0.335 5.757 1.00 0.00 C ATOM 467 O LEU A 35 4.230 -0.604 4.593 1.00 0.00 O ATOM 468 CB LEU A 35 5.092 2.127 5.813 1.00 0.00 C ATOM 469 CG LEU A 35 4.214 2.742 6.923 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.820 2.131 6.938 1.00 0.00 C ATOM 471 CD2 LEU A 35 4.878 2.569 8.282 1.00 0.00 C ATOM 0 H LEU A 35 6.553 0.390 4.210 1.00 0.00 H new ATOM 0 HA LEU A 35 5.900 0.628 7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.950 2.780 5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.518 2.126 4.886 1.00 0.00 H new ATOM 0 HG LEU A 35 4.110 3.806 6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.231 2.589 7.733 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.335 2.308 5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.895 1.058 7.114 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.246 3.008 9.054 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.017 1.507 8.487 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.847 3.068 8.279 1.00 0.00 H new ATOM 482 N ASP A 36 3.960 -0.920 6.800 1.00 0.00 N ATOM 483 CA ASP A 36 2.926 -1.938 6.635 1.00 0.00 C ATOM 484 C ASP A 36 1.544 -1.299 6.631 1.00 0.00 C ATOM 485 O ASP A 36 1.064 -0.829 7.664 1.00 0.00 O ATOM 486 CB ASP A 36 3.006 -2.971 7.765 1.00 0.00 C ATOM 487 CG ASP A 36 4.390 -3.568 7.920 1.00 0.00 C ATOM 488 OD1 ASP A 36 4.730 -4.501 7.167 1.00 0.00 O ATOM 489 OD2 ASP A 36 5.144 -3.104 8.801 1.00 0.00 O ATOM 0 H ASP A 36 4.193 -0.709 7.770 1.00 0.00 H new ATOM 0 HA ASP A 36 3.092 -2.437 5.680 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.712 -2.500 8.703 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.290 -3.770 7.571 1.00 0.00 H new ATOM 493 N LEU A 37 0.899 -1.297 5.472 1.00 0.00 N ATOM 494 CA LEU A 37 -0.428 -0.705 5.338 1.00 0.00 C ATOM 495 C LEU A 37 -1.516 -1.682 5.768 1.00 0.00 C ATOM 496 O LEU A 37 -2.648 -1.282 6.027 1.00 0.00 O ATOM 497 CB LEU A 37 -0.690 -0.271 3.894 1.00 0.00 C ATOM 498 CG LEU A 37 0.545 0.081 3.069 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.136 0.414 1.646 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.296 1.243 3.698 1.00 0.00 C ATOM 0 H LEU A 37 1.272 -1.698 4.611 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.456 0.168 5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.226 -1.072 3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.352 0.595 3.910 1.00 0.00 H new ATOM 0 HG LEU A 37 1.213 -0.780 3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.022 0.664 1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.362 -0.447 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.546 1.264 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.173 1.479 3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.644 2.115 3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.611 0.970 4.705 1.00 0.00 H new ATOM 511 N ASP A 38 -1.162 -2.964 5.868 1.00 0.00 N ATOM 512 CA ASP A 38 -2.115 -4.015 6.258 1.00 0.00 C ATOM 513 C ASP A 38 -2.632 -3.785 7.677 1.00 0.00 C ATOM 514 O ASP A 38 -3.548 -4.455 8.131 1.00 0.00 O ATOM 515 CB ASP A 38 -1.437 -5.388 6.175 1.00 0.00 C ATOM 516 CG ASP A 38 -2.404 -6.548 6.026 1.00 0.00 C ATOM 517 OD1 ASP A 38 -3.076 -6.640 4.978 1.00 0.00 O ATOM 518 OD2 ASP A 38 -2.477 -7.392 6.945 1.00 0.00 O ATOM 0 H ASP A 38 -0.218 -3.305 5.684 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.961 -3.981 5.572 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.749 -5.391 5.329 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.839 -5.541 7.073 1.00 0.00 H new ATOM 522 N THR A 39 -2.038 -2.830 8.367 1.00 0.00 N ATOM 523 CA THR A 39 -2.425 -2.510 9.727 1.00 0.00 C ATOM 524 C THR A 39 -3.568 -1.496 9.760 1.00 0.00 C ATOM 525 O THR A 39 -4.305 -1.407 10.746 1.00 0.00 O ATOM 526 CB THR A 39 -1.229 -1.926 10.496 1.00 0.00 C ATOM 527 OG1 THR A 39 -0.760 -0.743 9.829 1.00 0.00 O ATOM 528 CG2 THR A 39 -0.099 -2.941 10.587 1.00 0.00 C ATOM 0 H THR A 39 -1.277 -2.257 8.002 1.00 0.00 H new ATOM 0 HA THR A 39 -2.759 -3.436 10.195 1.00 0.00 H new ATOM 0 HB THR A 39 -1.554 -1.676 11.506 1.00 0.00 H new ATOM 0 HG1 THR A 39 -1.403 -0.016 9.962 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.737 -2.507 11.135 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.451 -3.832 11.108 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.227 -3.213 9.583 1.00 0.00 H new ATOM 536 N CYS A 40 -3.719 -0.738 8.679 1.00 0.00 N ATOM 537 CA CYS A 40 -4.751 0.289 8.623 1.00 0.00 C ATOM 538 C CYS A 40 -5.664 0.133 7.405 1.00 0.00 C ATOM 539 O CYS A 40 -6.639 0.870 7.262 1.00 0.00 O ATOM 540 CB CYS A 40 -4.089 1.665 8.622 1.00 0.00 C ATOM 541 SG CYS A 40 -2.853 1.878 9.926 1.00 0.00 S ATOM 0 H CYS A 40 -3.146 -0.814 7.838 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.384 0.179 9.504 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.615 1.830 7.654 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.858 2.429 8.735 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.575 3.141 10.058 1.00 0.00 H new ATOM 546 N ILE A 41 -5.349 -0.815 6.531 1.00 0.00 N ATOM 547 CA ILE A 41 -6.163 -1.055 5.345 1.00 0.00 C ATOM 548 C ILE A 41 -6.828 -2.424 5.425 1.00 0.00 C ATOM 549 O ILE A 41 -6.192 -3.411 5.802 1.00 0.00 O ATOM 550 CB ILE A 41 -5.338 -0.981 4.041 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.682 0.389 3.889 1.00 0.00 C ATOM 552 CG2 ILE A 41 -6.223 -1.272 2.841 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.882 0.537 2.612 1.00 0.00 C ATOM 0 H ILE A 41 -4.539 -1.428 6.620 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.916 -0.267 5.320 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.552 -1.734 4.093 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.454 1.158 3.916 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.026 0.566 4.742 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.629 -1.217 1.929 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.649 -2.271 2.937 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.027 -0.538 2.795 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.444 1.534 2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.088 -0.209 2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.537 0.392 1.753 1.00 0.00 H new ATOM 564 N GLY A 42 -8.105 -2.476 5.072 1.00 0.00 N ATOM 565 CA GLY A 42 -8.833 -3.724 5.105 1.00 0.00 C ATOM 566 C GLY A 42 -9.871 -3.799 4.009 1.00 0.00 C ATOM 567 O GLY A 42 -10.300 -2.766 3.485 1.00 0.00 O ATOM 0 H GLY A 42 -8.650 -1.671 4.762 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.135 -4.555 5.001 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.319 -3.835 6.074 1.00 0.00 H new ATOM 571 N ASN A 43 -10.261 -5.016 3.646 1.00 0.00 N ATOM 572 CA ASN A 43 -11.261 -5.224 2.603 1.00 0.00 C ATOM 573 C ASN A 43 -11.918 -6.613 2.688 1.00 0.00 C ATOM 574 O ASN A 43 -12.109 -7.266 1.664 1.00 0.00 O ATOM 575 CB ASN A 43 -10.624 -5.039 1.218 1.00 0.00 C ATOM 576 CG ASN A 43 -9.350 -5.847 1.034 1.00 0.00 C ATOM 577 OD1 ASN A 43 -9.158 -6.884 1.660 1.00 0.00 O ATOM 578 ND2 ASN A 43 -8.464 -5.372 0.171 1.00 0.00 N ATOM 0 H ASN A 43 -9.899 -5.876 4.059 1.00 0.00 H new ATOM 0 HA ASN A 43 -12.043 -4.481 2.757 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.344 -5.328 0.452 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.402 -3.983 1.065 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.590 -5.872 0.010 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.656 -4.506 -0.333 1.00 0.00 H new ATOM 584 N PRO A 44 -12.341 -7.069 3.890 1.00 0.00 N ATOM 585 CA PRO A 44 -12.953 -8.396 4.053 1.00 0.00 C ATOM 586 C PRO A 44 -14.347 -8.462 3.438 1.00 0.00 C ATOM 587 O PRO A 44 -14.870 -9.541 3.162 1.00 0.00 O ATOM 588 CB PRO A 44 -13.044 -8.586 5.574 1.00 0.00 C ATOM 589 CG PRO A 44 -12.292 -7.446 6.180 1.00 0.00 C ATOM 590 CD PRO A 44 -12.307 -6.341 5.166 1.00 0.00 C ATOM 0 HA PRO A 44 -12.368 -9.168 3.553 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.083 -8.588 5.905 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.612 -9.541 5.874 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.758 -7.125 7.111 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.270 -7.739 6.420 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.176 -5.694 5.286 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.424 -5.707 5.246 1.00 0.00 H new ATOM 595 N ASN A 45 -14.942 -7.297 3.227 1.00 0.00 N ATOM 596 CA ASN A 45 -16.277 -7.213 2.649 1.00 0.00 C ATOM 597 C ASN A 45 -16.205 -6.967 1.150 1.00 0.00 C ATOM 598 O ASN A 45 -17.230 -6.836 0.484 1.00 0.00 O ATOM 599 CB ASN A 45 -17.083 -6.101 3.320 1.00 0.00 C ATOM 600 CG ASN A 45 -17.404 -6.411 4.769 1.00 0.00 C ATOM 601 OD1 ASN A 45 -17.557 -7.571 5.152 1.00 0.00 O ATOM 602 ND2 ASN A 45 -17.512 -5.376 5.584 1.00 0.00 N ATOM 0 H ASN A 45 -14.521 -6.395 3.448 1.00 0.00 H new ATOM 0 HA ASN A 45 -16.777 -8.166 2.821 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.523 -5.168 3.267 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -18.012 -5.947 2.770 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -17.729 -5.523 6.570 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -17.378 -4.430 5.227 1.00 0.00 H new ATOM 608 N GLY A 46 -14.994 -6.911 0.620 1.00 0.00 N ATOM 609 CA GLY A 46 -14.831 -6.680 -0.798 1.00 0.00 C ATOM 610 C GLY A 46 -14.659 -5.214 -1.135 1.00 0.00 C ATOM 611 O GLY A 46 -14.680 -4.840 -2.305 1.00 0.00 O ATOM 0 H GLY A 46 -14.125 -7.021 1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.963 -7.235 -1.155 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.700 -7.071 -1.328 1.00 0.00 H new ATOM 615 N PHE A 47 -14.506 -4.376 -0.116 1.00 0.00 N ATOM 616 CA PHE A 47 -14.328 -2.944 -0.331 1.00 0.00 C ATOM 617 C PHE A 47 -13.068 -2.447 0.366 1.00 0.00 C ATOM 618 O PHE A 47 -12.819 -2.776 1.524 1.00 0.00 O ATOM 619 CB PHE A 47 -15.555 -2.167 0.149 1.00 0.00 C ATOM 620 CG PHE A 47 -16.806 -2.524 -0.601 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.893 -2.304 -1.966 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.889 -3.083 0.056 1.00 0.00 C ATOM 623 CE1 PHE A 47 -18.037 -2.636 -2.663 1.00 0.00 C ATOM 624 CE2 PHE A 47 -19.037 -3.416 -0.635 1.00 0.00 C ATOM 625 CZ PHE A 47 -19.112 -3.192 -1.996 1.00 0.00 C ATOM 0 H PHE A 47 -14.502 -4.661 0.863 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.215 -2.772 -1.401 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.707 -2.359 1.211 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.366 -1.099 0.042 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -16.056 -1.868 -2.491 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.835 -3.260 1.120 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -18.092 -2.462 -3.727 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.876 -3.851 -0.112 1.00 0.00 H new ATOM 0 HZ PHE A 47 -20.009 -3.451 -2.538 1.00 0.00 H new ATOM 634 N LEU A 48 -12.289 -1.645 -0.349 1.00 0.00 N ATOM 635 CA LEU A 48 -11.033 -1.104 0.170 1.00 0.00 C ATOM 636 C LEU A 48 -11.242 0.208 0.904 1.00 0.00 C ATOM 637 O LEU A 48 -12.114 1.001 0.543 1.00 0.00 O ATOM 638 CB LEU A 48 -10.040 -0.865 -0.974 1.00 0.00 C ATOM 639 CG LEU A 48 -9.158 -2.055 -1.354 1.00 0.00 C ATOM 640 CD1 LEU A 48 -9.999 -3.240 -1.769 1.00 0.00 C ATOM 641 CD2 LEU A 48 -8.208 -1.670 -2.471 1.00 0.00 C ATOM 0 H LEU A 48 -12.506 -1.351 -1.301 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.638 -1.841 0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.600 -0.557 -1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.393 -0.032 -0.700 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.576 -2.340 -0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.348 -4.073 -2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.646 -3.534 -0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.610 -2.969 -2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.586 -2.527 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.781 -1.358 -3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.573 -0.848 -2.141 1.00 0.00 H new ATOM 652 N GLY A 49 -10.429 0.435 1.920 1.00 0.00 N ATOM 653 CA GLY A 49 -10.508 1.664 2.675 1.00 0.00 C ATOM 654 C GLY A 49 -9.622 1.630 3.897 1.00 0.00 C ATOM 655 O GLY A 49 -8.998 0.607 4.187 1.00 0.00 O ATOM 0 H GLY A 49 -9.710 -0.215 2.237 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.218 2.500 2.039 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.540 1.838 2.979 1.00 0.00 H new ATOM 659 N TRP A 50 -9.556 2.751 4.599 1.00 0.00 N ATOM 660 CA TRP A 50 -8.743 2.861 5.797 1.00 0.00 C ATOM 661 C TRP A 50 -9.600 2.657 7.039 1.00 0.00 C ATOM 662 O TRP A 50 -10.668 3.255 7.177 1.00 0.00 O ATOM 663 CB TRP A 50 -8.044 4.222 5.848 1.00 0.00 C ATOM 664 CG TRP A 50 -7.013 4.398 4.772 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.197 4.946 3.535 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.635 4.018 4.841 1.00 0.00 C ATOM 667 NE1 TRP A 50 -6.013 4.928 2.833 1.00 0.00 N ATOM 668 CE2 TRP A 50 -5.044 4.361 3.611 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.843 3.418 5.821 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.700 4.126 3.339 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.509 3.186 5.549 1.00 0.00 C ATOM 672 CH2 TRP A 50 -2.949 3.537 4.318 1.00 0.00 C ATOM 0 H TRP A 50 -10.061 3.603 4.356 1.00 0.00 H new ATOM 0 HA TRP A 50 -7.980 2.083 5.770 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.791 5.010 5.759 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.568 4.343 6.821 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.133 5.336 3.163 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.881 5.281 1.885 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.266 3.140 6.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.266 4.399 2.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.887 2.725 6.302 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.903 3.339 4.136 1.00 0.00 H new ATOM 682 N GLY A 51 -9.140 1.792 7.922 1.00 0.00 N ATOM 683 CA GLY A 51 -9.866 1.516 9.143 1.00 0.00 C ATOM 684 C GLY A 51 -9.684 0.086 9.584 1.00 0.00 C ATOM 685 O GLY A 51 -9.168 -0.184 10.668 1.00 0.00 O ATOM 0 H GLY A 51 -8.270 1.271 7.816 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.523 2.187 9.931 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.926 1.719 8.991 1.00 0.00 H new ATOM 689 N MET A 52 -10.108 -0.831 8.730 1.00 0.00 N ATOM 690 CA MET A 52 -9.987 -2.252 8.997 1.00 0.00 C ATOM 691 C MET A 52 -8.543 -2.664 8.730 1.00 0.00 C ATOM 692 O MET A 52 -7.765 -1.864 8.225 1.00 0.00 O ATOM 693 CB MET A 52 -10.965 -3.015 8.096 1.00 0.00 C ATOM 694 CG MET A 52 -11.256 -4.457 8.509 1.00 0.00 C ATOM 695 SD MET A 52 -12.278 -4.591 9.997 1.00 0.00 S ATOM 696 CE MET A 52 -11.120 -4.156 11.294 1.00 0.00 C ATOM 0 H MET A 52 -10.544 -0.611 7.835 1.00 0.00 H new ATOM 0 HA MET A 52 -10.234 -2.484 10.033 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.907 -2.467 8.067 1.00 0.00 H new ATOM 0 HB3 MET A 52 -10.568 -3.020 7.081 1.00 0.00 H new ATOM 0 HG2 MET A 52 -11.757 -4.968 7.687 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.312 -4.975 8.678 1.00 0.00 H new ATOM 0 HE1 MET A 52 -11.380 -4.690 12.208 1.00 0.00 H new ATOM 0 HE2 MET A 52 -10.111 -4.431 10.988 1.00 0.00 H new ATOM 0 HE3 MET A 52 -11.164 -3.082 11.476 1.00 0.00 H new ATOM 704 N GLN A 53 -8.166 -3.882 9.070 1.00 0.00 N ATOM 705 CA GLN A 53 -6.802 -4.318 8.843 1.00 0.00 C ATOM 706 C GLN A 53 -6.773 -5.680 8.178 1.00 0.00 C ATOM 707 O GLN A 53 -7.809 -6.336 8.051 1.00 0.00 O ATOM 708 CB GLN A 53 -6.035 -4.375 10.165 1.00 0.00 C ATOM 709 CG GLN A 53 -6.598 -5.385 11.153 1.00 0.00 C ATOM 710 CD GLN A 53 -5.765 -5.491 12.412 1.00 0.00 C ATOM 711 OE1 GLN A 53 -5.126 -4.529 12.831 1.00 0.00 O ATOM 712 NE2 GLN A 53 -5.764 -6.663 13.026 1.00 0.00 N ATOM 0 H GLN A 53 -8.776 -4.578 9.499 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.324 -3.596 8.181 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.993 -4.621 9.960 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.045 -3.386 10.624 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.616 -5.100 11.418 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.654 -6.363 10.675 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.308 -7.438 12.647 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.219 -6.791 13.879 1.00 0.00 H new ATOM 719 N ASN A 54 -5.579 -6.088 7.763 1.00 0.00 N ATOM 720 CA ASN A 54 -5.360 -7.379 7.130 1.00 0.00 C ATOM 721 C ASN A 54 -6.070 -7.477 5.787 1.00 0.00 C ATOM 722 O ASN A 54 -6.696 -8.494 5.480 1.00 0.00 O ATOM 723 CB ASN A 54 -5.800 -8.512 8.062 1.00 0.00 C ATOM 724 CG ASN A 54 -4.953 -8.603 9.321 1.00 0.00 C ATOM 725 OD1 ASN A 54 -5.436 -9.015 10.377 1.00 0.00 O ATOM 726 ND2 ASN A 54 -3.688 -8.219 9.229 1.00 0.00 N ATOM 0 H ASN A 54 -4.732 -5.527 7.858 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.291 -7.478 6.939 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.843 -8.362 8.341 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.747 -9.459 7.525 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.082 -8.259 10.048 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.320 -7.883 8.339 1.00 0.00 H new ATOM 732 N PHE A 55 -5.942 -6.432 4.973 1.00 0.00 N ATOM 733 CA PHE A 55 -6.568 -6.410 3.659 1.00 0.00 C ATOM 734 C PHE A 55 -5.951 -7.472 2.759 1.00 0.00 C ATOM 735 O PHE A 55 -6.619 -8.019 1.888 1.00 0.00 O ATOM 736 CB PHE A 55 -6.449 -5.025 3.002 1.00 0.00 C ATOM 737 CG PHE A 55 -5.083 -4.683 2.467 1.00 0.00 C ATOM 738 CD1 PHE A 55 -4.085 -4.215 3.304 1.00 0.00 C ATOM 739 CD2 PHE A 55 -4.807 -4.817 1.114 1.00 0.00 C ATOM 740 CE1 PHE A 55 -2.838 -3.885 2.806 1.00 0.00 C ATOM 741 CE2 PHE A 55 -3.562 -4.493 0.610 1.00 0.00 C ATOM 742 CZ PHE A 55 -2.577 -4.027 1.457 1.00 0.00 C ATOM 0 H PHE A 55 -5.411 -5.592 5.202 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.627 -6.628 3.793 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.167 -4.966 2.184 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.735 -4.268 3.733 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.283 -4.106 4.360 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.575 -5.179 0.446 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.070 -3.517 3.470 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.360 -4.604 -0.445 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.603 -3.774 1.065 1.00 0.00 H new ATOM 751 N SER A 56 -4.678 -7.775 2.988 1.00 0.00 N ATOM 752 CA SER A 56 -3.971 -8.775 2.195 1.00 0.00 C ATOM 753 C SER A 56 -4.659 -10.135 2.300 1.00 0.00 C ATOM 754 O SER A 56 -4.601 -10.953 1.383 1.00 0.00 O ATOM 755 CB SER A 56 -2.529 -8.894 2.686 1.00 0.00 C ATOM 756 OG SER A 56 -1.924 -7.619 2.799 1.00 0.00 O ATOM 0 H SER A 56 -4.113 -7.341 3.718 1.00 0.00 H new ATOM 0 HA SER A 56 -3.981 -8.459 1.152 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.511 -9.396 3.653 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.956 -9.512 1.995 1.00 0.00 H new ATOM 0 HG SER A 56 -2.158 -7.221 3.664 1.00 0.00 H new ATOM 761 N HIS A 57 -5.345 -10.343 3.414 1.00 0.00 N ATOM 762 CA HIS A 57 -6.039 -11.597 3.675 1.00 0.00 C ATOM 763 C HIS A 57 -7.327 -11.703 2.872 1.00 0.00 C ATOM 764 O HIS A 57 -7.919 -12.775 2.777 1.00 0.00 O ATOM 765 CB HIS A 57 -6.359 -11.724 5.162 1.00 0.00 C ATOM 766 CG HIS A 57 -5.153 -11.922 6.029 1.00 0.00 C ATOM 767 ND1 HIS A 57 -4.307 -10.897 6.396 1.00 0.00 N ATOM 768 CD2 HIS A 57 -4.659 -13.038 6.613 1.00 0.00 C ATOM 769 CE1 HIS A 57 -3.349 -11.377 7.165 1.00 0.00 C ATOM 770 NE2 HIS A 57 -3.539 -12.671 7.314 1.00 0.00 N ATOM 0 H HIS A 57 -5.437 -9.652 4.159 1.00 0.00 H new ATOM 0 HA HIS A 57 -5.376 -12.406 3.369 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.885 -10.827 5.488 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.040 -12.563 5.307 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.071 -14.034 6.540 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.543 -10.804 7.600 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.950 -13.298 7.861 1.00 0.00 H new ATOM 778 N SER A 58 -7.767 -10.596 2.305 1.00 0.00 N ATOM 779 CA SER A 58 -8.987 -10.588 1.526 1.00 0.00 C ATOM 780 C SER A 58 -8.776 -9.888 0.189 1.00 0.00 C ATOM 781 O SER A 58 -9.686 -9.260 -0.343 1.00 0.00 O ATOM 782 CB SER A 58 -10.105 -9.909 2.318 1.00 0.00 C ATOM 783 OG SER A 58 -10.281 -10.537 3.579 1.00 0.00 O ATOM 0 H SER A 58 -7.298 -9.693 2.370 1.00 0.00 H new ATOM 0 HA SER A 58 -9.274 -11.619 1.321 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.867 -8.855 2.461 1.00 0.00 H new ATOM 0 HB3 SER A 58 -11.036 -9.952 1.752 1.00 0.00 H new ATOM 0 HG SER A 58 -10.444 -9.855 4.264 1.00 0.00 H new ATOM 788 N SER A 59 -7.573 -9.994 -0.356 1.00 0.00 N ATOM 789 CA SER A 59 -7.282 -9.368 -1.639 1.00 0.00 C ATOM 790 C SER A 59 -6.305 -10.205 -2.455 1.00 0.00 C ATOM 791 O SER A 59 -5.530 -10.991 -1.903 1.00 0.00 O ATOM 792 CB SER A 59 -6.737 -7.953 -1.439 1.00 0.00 C ATOM 793 OG SER A 59 -5.654 -7.945 -0.535 1.00 0.00 O ATOM 0 H SER A 59 -6.792 -10.500 0.062 1.00 0.00 H new ATOM 0 HA SER A 59 -8.217 -9.305 -2.196 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.416 -7.545 -2.398 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.530 -7.305 -1.066 1.00 0.00 H new ATOM 0 HG SER A 59 -5.990 -8.052 0.379 1.00 0.00 H new ATOM 798 N GLU A 60 -6.374 -10.052 -3.770 1.00 0.00 N ATOM 799 CA GLU A 60 -5.504 -10.778 -4.681 1.00 0.00 C ATOM 800 C GLU A 60 -4.883 -9.824 -5.695 1.00 0.00 C ATOM 801 O GLU A 60 -5.495 -8.813 -6.049 1.00 0.00 O ATOM 802 CB GLU A 60 -6.288 -11.862 -5.420 1.00 0.00 C ATOM 803 CG GLU A 60 -6.951 -12.875 -4.505 1.00 0.00 C ATOM 804 CD GLU A 60 -7.646 -13.979 -5.269 1.00 0.00 C ATOM 805 OE1 GLU A 60 -8.293 -13.682 -6.296 1.00 0.00 O ATOM 806 OE2 GLU A 60 -7.558 -15.150 -4.841 1.00 0.00 O ATOM 0 H GLU A 60 -7.032 -9.424 -4.232 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.713 -11.245 -4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.053 -11.388 -6.035 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.614 -12.386 -6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.200 -13.311 -3.846 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.675 -12.366 -3.869 1.00 0.00 H new ATOM 811 N ASP A 61 -3.668 -10.146 -6.132 1.00 0.00 N ATOM 812 CA ASP A 61 -2.947 -9.349 -7.123 1.00 0.00 C ATOM 813 C ASP A 61 -2.716 -7.931 -6.618 1.00 0.00 C ATOM 814 O ASP A 61 -3.158 -6.953 -7.225 1.00 0.00 O ATOM 815 CB ASP A 61 -3.699 -9.330 -8.463 1.00 0.00 C ATOM 816 CG ASP A 61 -3.850 -10.714 -9.066 1.00 0.00 C ATOM 817 OD1 ASP A 61 -2.849 -11.258 -9.583 1.00 0.00 O ATOM 818 OD2 ASP A 61 -4.973 -11.268 -9.036 1.00 0.00 O ATOM 0 H ASP A 61 -3.155 -10.967 -5.810 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.975 -9.815 -7.284 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.686 -8.892 -8.315 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.167 -8.688 -9.165 1.00 0.00 H new ATOM 822 N ILE A 62 -2.016 -7.829 -5.497 1.00 0.00 N ATOM 823 CA ILE A 62 -1.723 -6.542 -4.889 1.00 0.00 C ATOM 824 C ILE A 62 -0.498 -5.896 -5.532 1.00 0.00 C ATOM 825 O ILE A 62 0.620 -6.406 -5.417 1.00 0.00 O ATOM 826 CB ILE A 62 -1.474 -6.689 -3.377 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.688 -7.319 -2.690 1.00 0.00 C ATOM 828 CG2 ILE A 62 -1.149 -5.337 -2.762 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.461 -7.619 -1.223 1.00 0.00 C ATOM 0 H ILE A 62 -1.639 -8.629 -4.988 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.593 -5.905 -5.052 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.620 -7.350 -3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.541 -6.647 -2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.949 -8.243 -3.206 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.975 -5.456 -1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.254 -4.929 -3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.984 -4.655 -2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.361 -8.064 -0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.629 -8.315 -1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.229 -6.694 -0.694 1.00 0.00 H new ATOM 840 N LYS A 63 -0.715 -4.780 -6.214 1.00 0.00 N ATOM 841 CA LYS A 63 0.366 -4.057 -6.867 1.00 0.00 C ATOM 842 C LYS A 63 0.047 -2.562 -6.905 1.00 0.00 C ATOM 843 O LYS A 63 -1.113 -2.171 -6.862 1.00 0.00 O ATOM 844 CB LYS A 63 0.590 -4.614 -8.279 1.00 0.00 C ATOM 845 CG LYS A 63 1.826 -4.061 -8.974 1.00 0.00 C ATOM 846 CD LYS A 63 2.198 -4.883 -10.198 1.00 0.00 C ATOM 847 CE LYS A 63 2.588 -6.302 -9.813 1.00 0.00 C ATOM 848 NZ LYS A 63 3.027 -7.094 -10.990 1.00 0.00 N ATOM 0 H LYS A 63 -1.635 -4.354 -6.329 1.00 0.00 H new ATOM 0 HA LYS A 63 1.287 -4.192 -6.300 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.673 -5.699 -8.221 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.286 -4.393 -8.889 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.645 -3.028 -9.271 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.662 -4.050 -8.275 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.356 -4.910 -10.890 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.026 -4.405 -10.722 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.391 -6.271 -9.076 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.740 -6.796 -9.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.284 -8.055 -10.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.252 -7.146 -11.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.852 -6.637 -11.428 1.00 0.00 H new ATOM 858 N LEU A 64 1.079 -1.732 -6.975 1.00 0.00 N ATOM 859 CA LEU A 64 0.900 -0.285 -7.011 1.00 0.00 C ATOM 860 C LEU A 64 0.592 0.179 -8.427 1.00 0.00 C ATOM 861 O LEU A 64 1.292 -0.178 -9.374 1.00 0.00 O ATOM 862 CB LEU A 64 2.158 0.407 -6.483 1.00 0.00 C ATOM 863 CG LEU A 64 2.437 0.176 -4.998 1.00 0.00 C ATOM 864 CD1 LEU A 64 3.852 0.601 -4.642 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.431 0.936 -4.154 1.00 0.00 C ATOM 0 H LEU A 64 2.052 -2.036 -7.008 1.00 0.00 H new ATOM 0 HA LEU A 64 0.057 -0.018 -6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.016 0.060 -7.058 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.068 1.479 -6.660 1.00 0.00 H new ATOM 0 HG LEU A 64 2.339 -0.890 -4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.028 0.427 -3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.565 0.020 -5.228 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.980 1.661 -4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.639 0.765 -3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.506 2.002 -4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.424 0.589 -4.387 1.00 0.00 H new ATOM 876 N GLU A 65 -0.455 0.986 -8.558 1.00 0.00 N ATOM 877 CA GLU A 65 -0.883 1.482 -9.856 1.00 0.00 C ATOM 878 C GLU A 65 -0.166 2.773 -10.228 1.00 0.00 C ATOM 879 O GLU A 65 0.521 2.835 -11.244 1.00 0.00 O ATOM 880 CB GLU A 65 -2.398 1.694 -9.860 1.00 0.00 C ATOM 881 CG GLU A 65 -2.914 2.383 -11.108 1.00 0.00 C ATOM 882 CD GLU A 65 -4.403 2.199 -11.303 1.00 0.00 C ATOM 883 OE1 GLU A 65 -4.809 1.175 -11.889 1.00 0.00 O ATOM 884 OE2 GLU A 65 -5.175 3.077 -10.876 1.00 0.00 O ATOM 0 H GLU A 65 -1.024 1.310 -7.776 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.622 0.734 -10.605 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.891 0.727 -9.759 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.675 2.286 -8.988 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.688 3.448 -11.050 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.387 1.992 -11.978 1.00 0.00 H new ATOM 889 N GLU A 66 -0.305 3.798 -9.393 1.00 0.00 N ATOM 890 CA GLU A 66 0.330 5.086 -9.655 1.00 0.00 C ATOM 891 C GLU A 66 1.794 5.075 -9.242 1.00 0.00 C ATOM 892 O GLU A 66 2.322 6.077 -8.763 1.00 0.00 O ATOM 893 CB GLU A 66 -0.392 6.205 -8.915 1.00 0.00 C ATOM 894 CG GLU A 66 -1.873 6.256 -9.202 1.00 0.00 C ATOM 895 CD GLU A 66 -2.513 7.553 -8.746 1.00 0.00 C ATOM 896 OE1 GLU A 66 -2.330 8.579 -9.433 1.00 0.00 O ATOM 897 OE2 GLU A 66 -3.193 7.556 -7.698 1.00 0.00 O ATOM 0 H GLU A 66 -0.850 3.763 -8.531 1.00 0.00 H new ATOM 0 HA GLU A 66 0.269 5.264 -10.729 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.241 6.078 -7.843 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.057 7.160 -9.189 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.036 6.132 -10.273 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.364 5.419 -8.706 1.00 0.00 H new ATOM 902 N GLY A 67 2.427 3.927 -9.395 1.00 0.00 N ATOM 903 CA GLY A 67 3.829 3.785 -9.041 1.00 0.00 C ATOM 904 C GLY A 67 4.075 3.897 -7.546 1.00 0.00 C ATOM 905 O GLY A 67 5.215 3.833 -7.096 1.00 0.00 O ATOM 0 H GLY A 67 1.994 3.079 -9.762 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.191 2.819 -9.392 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.408 4.550 -9.558 1.00 0.00 H new ATOM 909 N GLY A 68 3.009 4.060 -6.772 1.00 0.00 N ATOM 910 CA GLY A 68 3.164 4.176 -5.342 1.00 0.00 C ATOM 911 C GLY A 68 2.159 5.118 -4.722 1.00 0.00 C ATOM 912 O GLY A 68 1.975 5.115 -3.507 1.00 0.00 O ATOM 0 H GLY A 68 2.048 4.113 -7.110 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.060 3.190 -4.888 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.171 4.526 -5.117 1.00 0.00 H new ATOM 916 N ARG A 69 1.500 5.926 -5.548 1.00 0.00 N ATOM 917 CA ARG A 69 0.506 6.865 -5.041 1.00 0.00 C ATOM 918 C ARG A 69 -0.800 6.128 -4.782 1.00 0.00 C ATOM 919 O ARG A 69 -1.660 6.597 -4.040 1.00 0.00 O ATOM 920 CB ARG A 69 0.247 7.993 -6.048 1.00 0.00 C ATOM 921 CG ARG A 69 1.495 8.666 -6.600 1.00 0.00 C ATOM 922 CD ARG A 69 2.038 9.731 -5.662 1.00 0.00 C ATOM 923 NE ARG A 69 3.196 10.411 -6.241 1.00 0.00 N ATOM 924 CZ ARG A 69 3.531 11.682 -6.004 1.00 0.00 C ATOM 925 NH1 ARG A 69 2.795 12.442 -5.203 1.00 0.00 N ATOM 926 NH2 ARG A 69 4.613 12.191 -6.579 1.00 0.00 N ATOM 0 H ARG A 69 1.634 5.950 -6.559 1.00 0.00 H new ATOM 0 HA ARG A 69 0.888 7.300 -4.118 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.328 7.590 -6.882 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.374 8.751 -5.569 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.264 7.913 -6.776 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.265 9.118 -7.565 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.257 10.460 -5.445 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.319 9.274 -4.713 1.00 0.00 H new ATOM 0 HE ARG A 69 3.792 9.875 -6.872 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.961 12.057 -4.759 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.063 13.411 -5.031 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.182 11.613 -7.197 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.876 13.161 -6.403 1.00 0.00 H new ATOM 937 N LYS A 70 -0.932 4.955 -5.388 1.00 0.00 N ATOM 938 CA LYS A 70 -2.142 4.162 -5.251 1.00 0.00 C ATOM 939 C LYS A 70 -1.836 2.675 -5.342 1.00 0.00 C ATOM 940 O LYS A 70 -1.010 2.252 -6.153 1.00 0.00 O ATOM 941 CB LYS A 70 -3.138 4.554 -6.343 1.00 0.00 C ATOM 942 CG LYS A 70 -4.520 3.940 -6.167 1.00 0.00 C ATOM 943 CD LYS A 70 -5.589 4.684 -6.955 1.00 0.00 C ATOM 944 CE LYS A 70 -5.214 4.840 -8.417 1.00 0.00 C ATOM 945 NZ LYS A 70 -6.350 5.351 -9.228 1.00 0.00 N ATOM 0 H LYS A 70 -0.215 4.534 -5.979 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.574 4.360 -4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.233 5.640 -6.361 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.738 4.253 -7.311 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.495 2.898 -6.487 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.784 3.943 -5.109 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.535 4.147 -6.879 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.745 5.669 -6.514 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.369 5.523 -8.504 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.889 3.878 -8.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.424 4.801 -10.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.233 5.258 -8.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.189 6.352 -9.459 1.00 0.00 H new ATOM 955 N LEU A 71 -2.507 1.898 -4.508 1.00 0.00 N ATOM 956 CA LEU A 71 -2.341 0.454 -4.479 1.00 0.00 C ATOM 957 C LEU A 71 -3.597 -0.204 -5.035 1.00 0.00 C ATOM 958 O LEU A 71 -4.705 0.057 -4.562 1.00 0.00 O ATOM 959 CB LEU A 71 -2.067 -0.009 -3.037 1.00 0.00 C ATOM 960 CG LEU A 71 -1.858 -1.516 -2.827 1.00 0.00 C ATOM 961 CD1 LEU A 71 -0.966 -1.755 -1.618 1.00 0.00 C ATOM 962 CD2 LEU A 71 -3.191 -2.229 -2.630 1.00 0.00 C ATOM 0 H LEU A 71 -3.183 2.251 -3.831 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.491 0.163 -5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.181 0.512 -2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.902 0.310 -2.412 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.378 -1.920 -3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.824 -2.826 -1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.001 -1.278 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.435 -1.332 -0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.015 -3.295 -2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.696 -1.821 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.816 -2.082 -3.511 1.00 0.00 H new ATOM 973 N THR A 72 -3.431 -1.032 -6.049 1.00 0.00 N ATOM 974 CA THR A 72 -4.553 -1.719 -6.657 1.00 0.00 C ATOM 975 C THR A 72 -4.501 -3.214 -6.377 1.00 0.00 C ATOM 976 O THR A 72 -3.441 -3.840 -6.442 1.00 0.00 O ATOM 977 CB THR A 72 -4.613 -1.478 -8.178 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.300 -1.564 -8.754 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.225 -0.120 -8.480 1.00 0.00 C ATOM 0 H THR A 72 -2.527 -1.245 -6.470 1.00 0.00 H new ATOM 0 HA THR A 72 -5.456 -1.306 -6.207 1.00 0.00 H new ATOM 0 HB THR A 72 -5.241 -2.251 -8.620 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.747 -2.170 -8.218 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.259 0.032 -9.559 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.236 -0.079 -8.076 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.619 0.662 -8.022 1.00 0.00 H new ATOM 987 N CYS A 73 -5.651 -3.773 -6.050 1.00 0.00 N ATOM 988 CA CYS A 73 -5.773 -5.188 -5.763 1.00 0.00 C ATOM 989 C CYS A 73 -7.232 -5.595 -5.873 1.00 0.00 C ATOM 990 O CYS A 73 -8.119 -4.741 -5.898 1.00 0.00 O ATOM 991 CB CYS A 73 -5.237 -5.501 -4.364 1.00 0.00 C ATOM 992 SG CYS A 73 -6.003 -4.538 -3.037 1.00 0.00 S ATOM 0 H CYS A 73 -6.528 -3.257 -5.976 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.183 -5.753 -6.485 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.386 -6.561 -4.160 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.162 -5.322 -4.352 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.482 -4.880 -1.896 1.00 0.00 H new ATOM 997 N ARG A 74 -7.482 -6.886 -5.963 1.00 0.00 N ATOM 998 CA ARG A 74 -8.840 -7.382 -6.061 1.00 0.00 C ATOM 999 C ARG A 74 -9.324 -7.877 -4.708 1.00 0.00 C ATOM 1000 O ARG A 74 -8.928 -8.951 -4.259 1.00 0.00 O ATOM 1001 CB ARG A 74 -8.932 -8.514 -7.081 1.00 0.00 C ATOM 1002 CG ARG A 74 -10.317 -9.138 -7.164 1.00 0.00 C ATOM 1003 CD ARG A 74 -10.266 -10.539 -7.747 1.00 0.00 C ATOM 1004 NE ARG A 74 -11.601 -11.122 -7.902 1.00 0.00 N ATOM 1005 CZ ARG A 74 -11.889 -12.401 -7.661 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -10.971 -13.208 -7.145 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -13.103 -12.872 -7.928 1.00 0.00 N ATOM 0 H ARG A 74 -6.763 -7.610 -5.970 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.474 -6.559 -6.390 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.654 -8.132 -8.063 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.208 -9.287 -6.822 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.761 -9.174 -6.169 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.963 -8.511 -7.779 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.769 -10.509 -8.717 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.665 -11.178 -7.100 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.357 -10.512 -8.213 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.040 -12.850 -6.931 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.196 -14.186 -6.962 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.815 -12.255 -8.318 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.322 -13.851 -7.743 1.00 0.00 H new ATOM 1018 N PRO A 75 -10.162 -7.086 -4.033 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.724 -7.464 -2.743 1.00 0.00 C ATOM 1020 C PRO A 75 -11.720 -8.591 -2.922 1.00 0.00 C ATOM 1021 O PRO A 75 -12.734 -8.426 -3.591 1.00 0.00 O ATOM 1022 CB PRO A 75 -11.434 -6.201 -2.271 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.768 -5.478 -3.528 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.639 -5.768 -4.475 1.00 0.00 C ATOM 0 HA PRO A 75 -9.972 -7.815 -2.036 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.330 -6.439 -1.698 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.793 -5.601 -1.625 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.719 -5.820 -3.936 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.865 -4.407 -3.350 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.977 -5.789 -5.511 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.855 -5.013 -4.411 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.415 -9.733 -2.351 1.00 0.00 N ATOM 1030 CA LYS A 76 -12.269 -10.891 -2.459 1.00 0.00 C ATOM 1031 C LYS A 76 -12.752 -11.349 -1.095 1.00 0.00 C ATOM 1032 O LYS A 76 -12.013 -11.299 -0.114 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.521 -12.003 -3.190 1.00 0.00 C ATOM 1034 CG LYS A 76 -10.044 -12.082 -2.829 1.00 0.00 C ATOM 1035 CD LYS A 76 -9.776 -12.925 -1.593 1.00 0.00 C ATOM 1036 CE LYS A 76 -9.693 -14.400 -1.935 1.00 0.00 C ATOM 1037 NZ LYS A 76 -8.985 -15.173 -0.885 1.00 0.00 N ATOM 0 H LYS A 76 -10.570 -9.885 -1.800 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.156 -10.626 -3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.994 -12.958 -2.962 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.616 -11.848 -4.265 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.492 -12.498 -3.672 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.662 -11.074 -2.664 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.844 -12.605 -1.128 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.568 -12.764 -0.862 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.699 -14.800 -2.064 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.177 -14.523 -2.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.950 -16.176 -1.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.017 -14.809 -0.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.492 -15.077 0.018 1.00 0.00 H new ATOM 1047 N THR A 77 -14.004 -11.778 -1.032 1.00 0.00 N ATOM 1048 CA THR A 77 -14.567 -12.246 0.218 1.00 0.00 C ATOM 1049 C THR A 77 -13.880 -13.533 0.622 1.00 0.00 C ATOM 1050 O THR A 77 -13.716 -14.442 -0.201 1.00 0.00 O ATOM 1051 CB THR A 77 -16.095 -12.481 0.145 1.00 0.00 C ATOM 1052 OG1 THR A 77 -16.596 -12.819 1.442 1.00 0.00 O ATOM 1053 CG2 THR A 77 -16.445 -13.596 -0.828 1.00 0.00 C ATOM 0 H THR A 77 -14.642 -11.810 -1.827 1.00 0.00 H new ATOM 0 HA THR A 77 -14.400 -11.464 0.959 1.00 0.00 H new ATOM 0 HB THR A 77 -16.554 -11.558 -0.209 1.00 0.00 H new ATOM 0 HG1 THR A 77 -17.564 -12.965 1.391 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.526 -13.732 -0.852 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.090 -13.334 -1.825 1.00 0.00 H new ATOM 0 HG23 THR A 77 -15.970 -14.523 -0.506 1.00 0.00 H new ATOM 1061 N VAL A 78 -13.479 -13.591 1.886 1.00 0.00 N ATOM 1062 CA VAL A 78 -12.788 -14.744 2.445 1.00 0.00 C ATOM 1063 C VAL A 78 -13.721 -15.953 2.541 1.00 0.00 C ATOM 1064 O VAL A 78 -13.281 -17.088 2.729 1.00 0.00 O ATOM 1065 CB VAL A 78 -12.221 -14.400 3.837 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -13.340 -14.110 4.829 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -11.306 -15.502 4.355 1.00 0.00 C ATOM 0 H VAL A 78 -13.625 -12.835 2.555 1.00 0.00 H new ATOM 0 HA VAL A 78 -11.966 -15.002 1.778 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.621 -13.496 3.731 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.911 -13.871 5.802 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.930 -13.265 4.475 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -13.981 -14.987 4.921 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.924 -15.226 5.338 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.866 -16.434 4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.472 -15.636 3.666 1.00 0.00 H new ATOM 1077 N ASP A 79 -15.015 -15.698 2.398 1.00 0.00 N ATOM 1078 CA ASP A 79 -16.022 -16.749 2.462 1.00 0.00 C ATOM 1079 C ASP A 79 -15.849 -17.734 1.308 1.00 0.00 C ATOM 1080 O ASP A 79 -16.170 -18.917 1.431 1.00 0.00 O ATOM 1081 CB ASP A 79 -17.424 -16.133 2.427 1.00 0.00 C ATOM 1082 CG ASP A 79 -18.526 -17.172 2.484 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -18.727 -17.780 3.554 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -19.209 -17.376 1.462 1.00 0.00 O ATOM 0 H ASP A 79 -15.394 -14.765 2.236 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.896 -17.293 3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -17.535 -15.447 3.266 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -17.534 -15.544 1.517 1.00 0.00 H new ATOM 1088 N GLY A 80 -15.303 -17.247 0.198 1.00 0.00 N ATOM 1089 CA GLY A 80 -15.110 -18.107 -0.959 1.00 0.00 C ATOM 1090 C GLY A 80 -13.997 -17.650 -1.885 1.00 0.00 C ATOM 1091 O GLY A 80 -13.390 -18.466 -2.580 1.00 0.00 O ATOM 0 H GLY A 80 -14.993 -16.283 0.078 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -14.892 -19.118 -0.616 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.042 -18.156 -1.523 1.00 0.00 H new ATOM 1095 N GLY A 81 -13.718 -16.355 -1.890 1.00 0.00 N ATOM 1096 CA GLY A 81 -12.683 -15.818 -2.750 1.00 0.00 C ATOM 1097 C GLY A 81 -13.267 -15.129 -3.958 1.00 0.00 C ATOM 1098 O GLY A 81 -12.581 -14.909 -4.953 1.00 0.00 O ATOM 0 H GLY A 81 -14.193 -15.663 -1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.072 -15.112 -2.188 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.023 -16.623 -3.073 1.00 0.00 H new ATOM 1102 N PHE A 82 -14.541 -14.782 -3.867 1.00 0.00 N ATOM 1103 CA PHE A 82 -15.240 -14.126 -4.974 1.00 0.00 C ATOM 1104 C PHE A 82 -15.587 -12.699 -4.597 1.00 0.00 C ATOM 1105 O PHE A 82 -15.878 -12.440 -3.435 1.00 0.00 O ATOM 1106 CB PHE A 82 -16.503 -14.912 -5.361 1.00 0.00 C ATOM 1107 CG PHE A 82 -17.358 -15.322 -4.189 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -17.132 -16.528 -3.545 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -18.379 -14.504 -3.731 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -17.902 -16.907 -2.465 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -19.157 -14.883 -2.649 1.00 0.00 C ATOM 1112 CZ PHE A 82 -18.914 -16.086 -2.016 1.00 0.00 C ATOM 0 H PHE A 82 -15.117 -14.941 -3.040 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.580 -14.105 -5.841 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -17.102 -14.304 -6.039 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -16.207 -15.805 -5.911 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -16.344 -17.179 -3.893 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -18.570 -13.562 -4.223 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -17.712 -17.848 -1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -19.951 -14.239 -2.302 1.00 0.00 H new ATOM 0 HZ PHE A 82 -19.516 -16.383 -1.170 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.556 -11.778 -5.564 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.873 -10.375 -5.293 1.00 0.00 C ATOM 1123 C ARG A 83 -15.624 -9.495 -6.517 1.00 0.00 C ATOM 1124 O ARG A 83 -15.817 -9.926 -7.654 1.00 0.00 O ATOM 1125 CB ARG A 83 -15.025 -9.877 -4.136 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.753 -9.000 -3.133 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.554 -9.841 -2.160 1.00 0.00 C ATOM 1128 NE ARG A 83 -17.912 -10.088 -2.630 1.00 0.00 N ATOM 1129 CZ ARG A 83 -18.945 -10.336 -1.825 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -18.788 -10.323 -0.506 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -20.139 -10.581 -2.342 1.00 0.00 N ATOM 0 H ARG A 83 -15.316 -11.977 -6.535 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.931 -10.313 -5.040 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.614 -10.739 -3.610 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -14.181 -9.317 -4.539 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -15.033 -8.391 -2.586 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.417 -8.314 -3.659 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.047 -10.793 -2.004 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.592 -9.338 -1.194 1.00 0.00 H new ATOM 0 HE ARG A 83 -18.082 -10.070 -3.636 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -17.873 -10.122 -0.103 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -19.583 -10.514 0.104 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -20.267 -10.580 -3.354 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -20.931 -10.771 -1.728 1.00 0.00 H new ATOM 1142 N GLU A 84 -15.182 -8.266 -6.261 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.913 -7.291 -7.305 1.00 0.00 C ATOM 1144 C GLU A 84 -13.510 -6.717 -7.118 1.00 0.00 C ATOM 1145 O GLU A 84 -12.947 -6.820 -6.038 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.965 -6.177 -7.218 1.00 0.00 C ATOM 1147 CG GLU A 84 -15.823 -5.096 -8.272 1.00 0.00 C ATOM 1148 CD GLU A 84 -15.839 -5.658 -9.677 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -16.939 -5.862 -10.226 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -14.747 -5.907 -10.231 1.00 0.00 O ATOM 0 H GLU A 84 -15.001 -7.921 -5.318 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.966 -7.762 -8.286 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.956 -6.623 -7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.907 -5.716 -6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.634 -4.376 -8.162 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.891 -4.554 -8.110 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.946 -6.134 -8.168 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.617 -5.542 -8.090 1.00 0.00 C ATOM 1157 C ARG A 85 -11.727 -4.080 -7.665 1.00 0.00 C ATOM 1158 O ARG A 85 -12.758 -3.443 -7.893 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.901 -5.656 -9.438 1.00 0.00 C ATOM 1160 CG ARG A 85 -9.462 -5.173 -9.411 1.00 0.00 C ATOM 1161 CD ARG A 85 -8.774 -5.394 -10.746 1.00 0.00 C ATOM 1162 NE ARG A 85 -7.426 -4.832 -10.758 1.00 0.00 N ATOM 1163 CZ ARG A 85 -6.320 -5.542 -10.979 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -6.394 -6.853 -11.169 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -5.140 -4.939 -11.007 1.00 0.00 N ATOM 0 H ARG A 85 -13.388 -6.058 -9.084 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.031 -6.083 -7.346 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.919 -6.697 -9.761 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.453 -5.082 -10.182 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.438 -4.113 -9.160 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.916 -5.699 -8.628 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.725 -6.462 -10.958 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.365 -4.938 -11.540 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.325 -3.832 -10.586 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.300 -7.321 -11.146 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.545 -7.393 -11.338 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.078 -3.932 -10.859 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.293 -5.482 -11.176 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.670 -3.546 -7.063 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.682 -2.164 -6.589 1.00 0.00 C ATOM 1178 C GLN A 86 -9.276 -1.579 -6.499 1.00 0.00 C ATOM 1179 O GLN A 86 -8.307 -2.159 -6.995 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.341 -2.099 -5.212 1.00 0.00 C ATOM 1181 CG GLN A 86 -12.680 -1.386 -5.201 1.00 0.00 C ATOM 1182 CD GLN A 86 -13.406 -1.570 -3.888 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -13.250 -0.781 -2.954 1.00 0.00 O ATOM 1184 NE2 GLN A 86 -14.193 -2.624 -3.805 1.00 0.00 N ATOM 0 H GLN A 86 -9.797 -4.045 -6.891 1.00 0.00 H new ATOM 0 HA GLN A 86 -11.248 -1.574 -7.310 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.478 -3.114 -4.838 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.666 -1.593 -4.521 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.527 -0.323 -5.385 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.299 -1.764 -6.014 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -14.292 -3.251 -4.604 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.703 -2.813 -2.942 1.00 0.00 H new ATOM 1191 N GLY A 87 -9.191 -0.413 -5.876 1.00 0.00 N ATOM 1192 CA GLY A 87 -7.928 0.265 -5.691 1.00 0.00 C ATOM 1193 C GLY A 87 -8.042 1.330 -4.621 1.00 0.00 C ATOM 1194 O GLY A 87 -9.079 1.986 -4.508 1.00 0.00 O ATOM 0 H GLY A 87 -9.994 0.083 -5.488 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.160 -0.457 -5.412 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.613 0.719 -6.630 1.00 0.00 H new ATOM 1198 N ILE A 88 -6.998 1.496 -3.828 1.00 0.00 N ATOM 1199 CA ILE A 88 -6.998 2.486 -2.758 1.00 0.00 C ATOM 1200 C ILE A 88 -5.774 3.390 -2.865 1.00 0.00 C ATOM 1201 O ILE A 88 -4.650 2.919 -3.062 1.00 0.00 O ATOM 1202 CB ILE A 88 -7.044 1.813 -1.360 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -7.009 2.863 -0.247 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.899 0.819 -1.196 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -7.096 2.272 1.142 1.00 0.00 C ATOM 0 H ILE A 88 -6.135 0.957 -3.903 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.897 3.091 -2.870 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.984 1.266 -1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.088 3.440 -0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.835 3.560 -0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.953 0.361 -0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.977 0.045 -1.960 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.947 1.339 -1.303 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.066 3.073 1.881 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -8.030 1.719 1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.255 1.597 1.304 1.00 0.00 H new ATOM 1216 N ASP A 89 -5.999 4.692 -2.763 1.00 0.00 N ATOM 1217 CA ASP A 89 -4.914 5.657 -2.843 1.00 0.00 C ATOM 1218 C ASP A 89 -4.123 5.647 -1.546 1.00 0.00 C ATOM 1219 O ASP A 89 -4.694 5.513 -0.460 1.00 0.00 O ATOM 1220 CB ASP A 89 -5.438 7.065 -3.142 1.00 0.00 C ATOM 1221 CG ASP A 89 -6.221 7.672 -1.992 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -5.605 8.348 -1.141 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -7.454 7.497 -1.949 1.00 0.00 O ATOM 0 H ASP A 89 -6.922 5.103 -2.625 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.259 5.370 -3.666 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -4.596 7.715 -3.382 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.075 7.028 -4.026 1.00 0.00 H new ATOM 1227 N LEU A 90 -2.813 5.773 -1.659 1.00 0.00 N ATOM 1228 CA LEU A 90 -1.942 5.756 -0.494 1.00 0.00 C ATOM 1229 C LEU A 90 -1.404 7.141 -0.203 1.00 0.00 C ATOM 1230 O LEU A 90 -0.198 7.383 -0.222 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.792 4.796 -0.715 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.202 3.390 -1.112 1.00 0.00 C ATOM 1233 CD1 LEU A 90 0.035 2.571 -1.368 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -2.067 2.754 -0.034 1.00 0.00 C ATOM 0 H LEU A 90 -2.326 5.889 -2.548 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.528 5.424 0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.142 5.202 -1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.202 4.742 0.200 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.798 3.430 -2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.251 1.559 -1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.612 3.026 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.641 2.534 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.349 1.747 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.507 2.706 0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.966 3.353 0.112 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.311 8.038 0.079 1.00 0.00 N ATOM 1246 CA ASN A 91 -1.967 9.416 0.384 1.00 0.00 C ATOM 1247 C ASN A 91 -1.761 9.591 1.881 1.00 0.00 C ATOM 1248 O ASN A 91 -1.449 10.680 2.358 1.00 0.00 O ATOM 1249 CB ASN A 91 -3.052 10.361 -0.137 1.00 0.00 C ATOM 1250 CG ASN A 91 -2.935 10.594 -1.633 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -2.303 11.555 -2.070 1.00 0.00 O ATOM 1252 ND2 ASN A 91 -3.544 9.727 -2.429 1.00 0.00 N ATOM 0 H ASN A 91 -3.312 7.842 0.106 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.031 9.665 -0.117 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.034 9.945 0.089 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.982 11.315 0.385 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.498 9.844 -3.441 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -4.059 8.942 -2.029 1.00 0.00 H new ATOM 1258 N ARG A 92 -1.927 8.497 2.614 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.749 8.507 4.058 1.00 0.00 C ATOM 1260 C ARG A 92 -0.349 8.047 4.438 1.00 0.00 C ATOM 1261 O ARG A 92 0.095 8.227 5.568 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.766 7.594 4.734 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.203 8.045 4.594 1.00 0.00 C ATOM 1264 CD ARG A 92 -5.035 7.499 5.736 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.682 8.137 7.002 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.557 8.744 7.797 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -6.840 8.797 7.464 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -5.141 9.307 8.923 1.00 0.00 N ATOM 0 H ARG A 92 -2.186 7.589 2.229 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.897 9.533 4.396 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.670 6.592 4.316 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.523 7.522 5.794 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.251 9.134 4.587 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.609 7.702 3.642 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.093 7.660 5.528 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.886 6.422 5.815 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.705 8.115 7.293 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.159 8.371 6.594 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.507 9.264 8.078 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.153 9.273 9.176 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.809 9.774 9.537 1.00 0.00 H new ATOM 1279 N ILE A 93 0.342 7.431 3.500 1.00 0.00 N ATOM 1280 CA ILE A 93 1.682 6.938 3.763 1.00 0.00 C ATOM 1281 C ILE A 93 2.691 8.026 3.433 1.00 0.00 C ATOM 1282 O ILE A 93 2.879 8.388 2.267 1.00 0.00 O ATOM 1283 CB ILE A 93 1.964 5.643 2.969 1.00 0.00 C ATOM 1284 CG1 ILE A 93 0.808 4.660 3.164 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.271 4.998 3.417 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.517 4.356 4.623 1.00 0.00 C ATOM 0 H ILE A 93 0.002 7.260 2.554 1.00 0.00 H new ATOM 0 HA ILE A 93 1.771 6.686 4.820 1.00 0.00 H new ATOM 0 HB ILE A 93 2.055 5.900 1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.089 5.069 2.699 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.040 3.730 2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.444 4.089 2.841 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.095 5.693 3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.210 4.750 4.477 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.313 3.653 4.690 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.401 3.918 5.087 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.254 5.278 5.141 1.00 0.00 H new ATOM 1297 N GLN A 94 3.309 8.567 4.469 1.00 0.00 N ATOM 1298 CA GLN A 94 4.267 9.646 4.312 1.00 0.00 C ATOM 1299 C GLN A 94 5.681 9.186 4.638 1.00 0.00 C ATOM 1300 O GLN A 94 5.891 8.113 5.202 1.00 0.00 O ATOM 1301 CB GLN A 94 3.905 10.808 5.247 1.00 0.00 C ATOM 1302 CG GLN A 94 2.493 11.346 5.073 1.00 0.00 C ATOM 1303 CD GLN A 94 2.309 12.122 3.785 1.00 0.00 C ATOM 1304 OE1 GLN A 94 1.920 11.434 2.729 1.00 0.00 O flip ATOM 1305 NE2 GLN A 94 2.505 13.335 3.741 1.00 0.00 N flip ATOM 0 H GLN A 94 3.162 8.273 5.435 1.00 0.00 H new ATOM 0 HA GLN A 94 4.230 9.968 3.271 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.030 10.479 6.279 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.612 11.621 5.084 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.788 10.515 5.093 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.249 11.991 5.917 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.805 13.834 4.578 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.367 13.843 2.867 1.00 0.00 H new ATOM 1312 N ASN A 95 6.640 10.016 4.271 1.00 0.00 N ATOM 1313 CA ASN A 95 8.045 9.758 4.535 1.00 0.00 C ATOM 1314 C ASN A 95 8.660 10.959 5.256 1.00 0.00 C ATOM 1315 O ASN A 95 8.777 12.048 4.694 1.00 0.00 O ATOM 1316 CB ASN A 95 8.813 9.458 3.235 1.00 0.00 C ATOM 1317 CG ASN A 95 8.746 10.580 2.209 1.00 0.00 C ATOM 1318 OD1 ASN A 95 7.746 11.291 2.098 1.00 0.00 O ATOM 1319 ND2 ASN A 95 9.818 10.753 1.451 1.00 0.00 N ATOM 0 H ASN A 95 6.466 10.892 3.779 1.00 0.00 H new ATOM 0 HA ASN A 95 8.121 8.877 5.172 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.857 9.262 3.478 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.413 8.547 2.790 1.00 0.00 H new ATOM 0 HD21 ASN A 95 9.832 11.493 0.749 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.629 10.146 1.569 1.00 0.00 H new ATOM 1325 N VAL A 96 9.032 10.763 6.510 1.00 0.00 N ATOM 1326 CA VAL A 96 9.626 11.830 7.303 1.00 0.00 C ATOM 1327 C VAL A 96 11.096 11.528 7.586 1.00 0.00 C ATOM 1328 O VAL A 96 11.426 10.528 8.227 1.00 0.00 O ATOM 1329 CB VAL A 96 8.840 12.063 8.618 1.00 0.00 C ATOM 1330 CG1 VAL A 96 8.660 10.768 9.400 1.00 0.00 C ATOM 1331 CG2 VAL A 96 9.513 13.123 9.478 1.00 0.00 C ATOM 0 H VAL A 96 8.934 9.875 7.002 1.00 0.00 H new ATOM 0 HA VAL A 96 9.570 12.752 6.725 1.00 0.00 H new ATOM 0 HB VAL A 96 7.849 12.425 8.344 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.105 10.970 10.316 1.00 0.00 H new ATOM 0 HG12 VAL A 96 8.109 10.050 8.793 1.00 0.00 H new ATOM 0 HG13 VAL A 96 9.637 10.356 9.652 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.940 13.266 10.394 1.00 0.00 H new ATOM 0 HG22 VAL A 96 10.524 12.800 9.729 1.00 0.00 H new ATOM 0 HG23 VAL A 96 9.558 14.063 8.928 1.00 0.00 H new ATOM 1341 N ASN A 97 11.973 12.387 7.070 1.00 0.00 N ATOM 1342 CA ASN A 97 13.420 12.227 7.225 1.00 0.00 C ATOM 1343 C ASN A 97 13.872 10.872 6.701 1.00 0.00 C ATOM 1344 O ASN A 97 14.787 10.249 7.242 1.00 0.00 O ATOM 1345 CB ASN A 97 13.860 12.411 8.680 1.00 0.00 C ATOM 1346 CG ASN A 97 14.179 13.856 9.013 1.00 0.00 C ATOM 1347 OD1 ASN A 97 15.312 14.307 8.840 1.00 0.00 O ATOM 1348 ND2 ASN A 97 13.190 14.590 9.497 1.00 0.00 N ATOM 0 H ASN A 97 11.703 13.212 6.534 1.00 0.00 H new ATOM 0 HA ASN A 97 13.897 13.009 6.634 1.00 0.00 H new ATOM 0 HB2 ASN A 97 13.071 12.055 9.342 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.739 11.795 8.871 1.00 0.00 H new ATOM 0 HD21 ASN A 97 13.352 15.567 9.742 1.00 0.00 H new ATOM 0 HD22 ASN A 97 12.265 14.179 9.625 1.00 0.00 H new ATOM 1354 N GLY A 98 13.217 10.419 5.644 1.00 0.00 N ATOM 1355 CA GLY A 98 13.560 9.152 5.046 1.00 0.00 C ATOM 1356 C GLY A 98 12.848 7.976 5.683 1.00 0.00 C ATOM 1357 O GLY A 98 12.900 6.867 5.158 1.00 0.00 O ATOM 0 H GLY A 98 12.449 10.912 5.189 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.318 9.182 3.984 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.637 9.001 5.123 1.00 0.00 H new ATOM 1361 N ARG A 99 12.184 8.200 6.809 1.00 0.00 N ATOM 1362 CA ARG A 99 11.474 7.124 7.483 1.00 0.00 C ATOM 1363 C ARG A 99 10.017 7.105 7.047 1.00 0.00 C ATOM 1364 O ARG A 99 9.309 8.105 7.171 1.00 0.00 O ATOM 1365 CB ARG A 99 11.557 7.268 9.005 1.00 0.00 C ATOM 1366 CG ARG A 99 12.975 7.203 9.559 1.00 0.00 C ATOM 1367 CD ARG A 99 13.443 8.560 10.058 1.00 0.00 C ATOM 1368 NE ARG A 99 12.554 9.088 11.091 1.00 0.00 N ATOM 1369 CZ ARG A 99 12.755 10.230 11.744 1.00 0.00 C ATOM 1370 NH1 ARG A 99 13.878 10.913 11.564 1.00 0.00 N ATOM 1371 NH2 ARG A 99 11.845 10.667 12.606 1.00 0.00 N ATOM 0 H ARG A 99 12.123 9.108 7.270 1.00 0.00 H new ATOM 0 HA ARG A 99 11.950 6.184 7.204 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.108 8.218 9.294 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.961 6.481 9.467 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.015 6.481 10.375 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.653 6.846 8.784 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.454 8.473 10.456 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.488 9.260 9.223 1.00 0.00 H new ATOM 0 HE ARG A 99 11.724 8.545 11.327 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.591 10.563 10.923 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.029 11.788 12.066 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.994 10.128 12.767 1.00 0.00 H new ATOM 0 HH22 ARG A 99 11.997 11.542 13.108 1.00 0.00 H new ATOM 1382 N LEU A 100 9.578 5.974 6.525 1.00 0.00 N ATOM 1383 CA LEU A 100 8.204 5.833 6.073 1.00 0.00 C ATOM 1384 C LEU A 100 7.297 5.579 7.269 1.00 0.00 C ATOM 1385 O LEU A 100 7.466 4.595 7.988 1.00 0.00 O ATOM 1386 CB LEU A 100 8.087 4.691 5.065 1.00 0.00 C ATOM 1387 CG LEU A 100 7.067 4.921 3.951 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.548 6.014 3.019 1.00 0.00 C ATOM 1389 CD2 LEU A 100 6.817 3.637 3.179 1.00 0.00 C ATOM 0 H LEU A 100 10.152 5.140 6.403 1.00 0.00 H new ATOM 0 HA LEU A 100 7.896 6.755 5.580 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.065 4.522 4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.821 3.779 5.600 1.00 0.00 H new ATOM 0 HG LEU A 100 6.126 5.235 4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.813 6.169 2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.678 6.939 3.580 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.500 5.722 2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.088 3.823 2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.751 3.291 2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.433 2.874 3.856 1.00 0.00 H new ATOM 1400 N VAL A 101 6.350 6.476 7.485 1.00 0.00 N ATOM 1401 CA VAL A 101 5.429 6.368 8.610 1.00 0.00 C ATOM 1402 C VAL A 101 3.993 6.605 8.147 1.00 0.00 C ATOM 1403 O VAL A 101 3.748 7.397 7.233 1.00 0.00 O ATOM 1404 CB VAL A 101 5.787 7.392 9.721 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.861 7.250 10.922 1.00 0.00 C ATOM 1406 CG2 VAL A 101 7.238 7.240 10.157 1.00 0.00 C ATOM 0 H VAL A 101 6.196 7.293 6.894 1.00 0.00 H new ATOM 0 HA VAL A 101 5.517 5.361 9.017 1.00 0.00 H new ATOM 0 HB VAL A 101 5.653 8.389 9.301 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.137 7.980 11.683 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.831 7.423 10.610 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.951 6.245 11.334 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.462 7.969 10.936 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.398 6.234 10.545 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.894 7.408 9.303 1.00 0.00 H new ATOM 1416 N PHE A 102 3.048 5.906 8.765 1.00 0.00 N ATOM 1417 CA PHE A 102 1.645 6.061 8.427 1.00 0.00 C ATOM 1418 C PHE A 102 1.100 7.327 9.068 1.00 0.00 C ATOM 1419 O PHE A 102 1.272 7.559 10.269 1.00 0.00 O ATOM 1420 CB PHE A 102 0.828 4.847 8.881 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.651 5.114 8.927 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.369 5.345 7.764 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -1.321 5.150 10.140 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.720 5.607 7.811 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.675 5.409 10.190 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.374 5.639 9.025 1.00 0.00 C ATOM 0 H PHE A 102 3.232 5.227 9.503 1.00 0.00 H new ATOM 0 HA PHE A 102 1.560 6.137 7.343 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.020 4.014 8.204 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.166 4.538 9.870 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -0.863 5.319 6.810 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.777 4.973 11.056 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.267 5.787 6.898 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -3.187 5.431 11.141 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.434 5.844 9.062 1.00 0.00 H new ATOM 1435 N GLN A 103 0.446 8.142 8.270 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.107 9.388 8.753 1.00 0.00 C ATOM 1437 C GLN A 103 -1.535 9.576 8.254 1.00 0.00 C ATOM 1438 O GLN A 103 -2.470 9.221 9.004 1.00 0.00 O ATOM 1439 CB GLN A 103 0.800 10.533 8.306 1.00 0.00 C ATOM 1440 CG GLN A 103 0.423 11.898 8.866 1.00 0.00 C ATOM 1441 CD GLN A 103 1.491 12.953 8.618 1.00 0.00 C ATOM 1442 OE1 GLN A 103 2.760 12.557 8.670 1.00 0.00 O flip ATOM 1443 NE2 GLN A 103 1.181 14.127 8.418 1.00 0.00 N flip ATOM 1444 OXT GLN A 103 -1.722 10.064 7.127 1.00 0.00 O ATOM 0 H GLN A 103 0.284 7.963 7.279 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.152 9.375 9.842 1.00 0.00 H new ATOM 0 HB2 GLN A 103 1.824 10.304 8.602 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.787 10.586 7.217 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.515 12.224 8.416 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.248 11.810 9.938 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.198 14.396 8.384 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.907 14.831 8.286 1.00 0.00 H new