USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 588 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 73 ASN : amide:sc= -2.58! C(o=-5.4!,f=-13!) USER MOD Set 1.2: A 76 GLN :FLIP amide:sc= -2.81 F(o=-6.9!,f=-5.4) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0572 USER MOD Single : A 8 LYS NZ :NH3+ 170:sc= -0.963 (180deg=-1.15) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0.28) USER MOD Single : A 14 GLN : amide:sc= -7.79! C(o=-7.8!,f=-16!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc=-0.00109 X(o=-0.0011,f=-0.048) USER MOD Single : A 23 THR OG1 : rot -162:sc= -3.5! USER MOD Single : A 24 ASN : amide:sc= -0.792 K(o=-0.79,f=-4.2!) USER MOD Single : A 25 ASN : amide:sc= -0.0143 X(o=-0.014,f=0.19) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 77:sc= 0.0447 USER MOD Single : A 44 MET CE :methyl 176:sc= 0 (180deg=-0.0304) USER MOD Single : A 52 THR OG1 : rot -44:sc= 0.0702 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 160:sc= -2.4! USER MOD Single : A 66 GLN : amide:sc= -4.53! C(o=-4.5!,f=-5.8!) USER MOD Single : A 71 TYR OH : rot 163:sc= 0.179 USER MOD Single : A 75 HIS : no HE2:sc= -1.25 K(o=-1.2,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -5.838 -13.165 -12.159 1.00 0.00 N ATOM 2 CA SER A 1 -6.178 -11.825 -11.712 1.00 0.00 C ATOM 3 C SER A 1 -4.903 -11.015 -11.470 1.00 0.00 C ATOM 4 O SER A 1 -4.108 -11.350 -10.594 1.00 0.00 O ATOM 5 CB SER A 1 -7.029 -11.867 -10.442 1.00 0.00 C ATOM 6 OG SER A 1 -7.138 -10.585 -9.829 1.00 0.00 O ATOM 0 H1 SER A 1 -6.710 -13.709 -12.321 1.00 0.00 H new ATOM 0 H2 SER A 1 -5.296 -13.108 -13.045 1.00 0.00 H new ATOM 0 H3 SER A 1 -5.265 -13.639 -11.432 1.00 0.00 H new ATOM 0 HA SER A 1 -6.765 -11.343 -12.494 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.025 -12.238 -10.685 1.00 0.00 H new ATOM 0 HB3 SER A 1 -6.590 -12.571 -9.735 1.00 0.00 H new ATOM 0 HG SER A 1 -7.690 -10.654 -9.022 1.00 0.00 H new ATOM 12 N THR A 2 -4.748 -9.965 -12.263 1.00 0.00 N ATOM 13 CA THR A 2 -3.583 -9.104 -12.146 1.00 0.00 C ATOM 14 C THR A 2 -3.460 -8.565 -10.720 1.00 0.00 C ATOM 15 O THR A 2 -4.421 -8.603 -9.952 1.00 0.00 O ATOM 16 CB THR A 2 -3.700 -8.004 -13.203 1.00 0.00 C ATOM 17 OG1 THR A 2 -5.075 -7.631 -13.166 1.00 0.00 O ATOM 18 CG2 THR A 2 -3.496 -8.534 -14.624 1.00 0.00 C ATOM 0 H THR A 2 -5.410 -9.691 -12.989 1.00 0.00 H new ATOM 0 HA THR A 2 -2.662 -9.657 -12.332 1.00 0.00 H new ATOM 0 HB THR A 2 -2.967 -7.224 -12.997 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.239 -6.920 -13.820 1.00 0.00 H new ATOM 0 HG21 THR A 2 -3.589 -7.713 -15.335 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.503 -8.976 -14.708 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.250 -9.290 -14.842 1.00 0.00 H new ATOM 26 N ILE A 3 -2.269 -8.075 -10.407 1.00 0.00 N ATOM 27 CA ILE A 3 -2.008 -7.528 -9.087 1.00 0.00 C ATOM 28 C ILE A 3 -2.597 -6.119 -8.997 1.00 0.00 C ATOM 29 O ILE A 3 -3.309 -5.800 -8.046 1.00 0.00 O ATOM 30 CB ILE A 3 -0.513 -7.591 -8.767 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.143 -8.794 -9.449 1.00 0.00 C ATOM 32 CG2 ILE A 3 -0.275 -7.589 -7.256 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.814 -8.381 -10.761 1.00 0.00 C ATOM 0 H ILE A 3 -1.474 -8.046 -11.045 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.500 -8.129 -8.322 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.040 -6.695 -9.168 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.882 -9.237 -8.782 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.608 -9.559 -9.645 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.796 -7.634 -7.056 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.686 -6.677 -6.824 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.764 -8.455 -6.809 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.273 -9.254 -11.226 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.067 -7.961 -11.435 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.581 -7.633 -10.558 1.00 0.00 H new ATOM 45 N GLU A 4 -2.278 -5.314 -9.999 1.00 0.00 N ATOM 46 CA GLU A 4 -2.767 -3.946 -10.045 1.00 0.00 C ATOM 47 C GLU A 4 -4.206 -3.879 -9.530 1.00 0.00 C ATOM 48 O GLU A 4 -4.518 -3.077 -8.652 1.00 0.00 O ATOM 49 CB GLU A 4 -2.664 -3.374 -11.461 1.00 0.00 C ATOM 50 CG GLU A 4 -3.529 -2.121 -11.610 1.00 0.00 C ATOM 51 CD GLU A 4 -3.405 -1.534 -13.017 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.321 -1.582 -13.616 1.00 0.00 O ATOM 53 OE2 GLU A 4 -4.488 -1.015 -13.489 1.00 0.00 O ATOM 0 H GLU A 4 -1.687 -5.582 -10.786 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.141 -3.335 -9.395 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.625 -3.132 -11.685 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.979 -4.126 -12.185 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.571 -2.367 -11.405 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.227 -1.376 -10.873 1.00 0.00 H new ATOM 61 N GLU A 5 -5.045 -4.733 -10.099 1.00 0.00 N ATOM 62 CA GLU A 5 -6.443 -4.781 -9.708 1.00 0.00 C ATOM 63 C GLU A 5 -6.570 -4.751 -8.183 1.00 0.00 C ATOM 64 O GLU A 5 -7.277 -3.909 -7.632 1.00 0.00 O ATOM 65 CB GLU A 5 -7.134 -6.016 -10.291 1.00 0.00 C ATOM 66 CG GLU A 5 -8.403 -6.356 -9.507 1.00 0.00 C ATOM 67 CD GLU A 5 -9.525 -6.801 -10.447 1.00 0.00 C ATOM 68 OE1 GLU A 5 -10.223 -5.954 -11.024 1.00 0.00 O ATOM 69 OE2 GLU A 5 -9.659 -8.078 -10.570 1.00 0.00 O ATOM 0 H GLU A 5 -4.783 -5.397 -10.828 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.943 -3.901 -10.112 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.385 -5.837 -11.336 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.450 -6.864 -10.268 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.190 -7.148 -8.789 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.726 -5.486 -8.936 1.00 0.00 H new ATOM 77 N ARG A 6 -5.874 -5.681 -7.545 1.00 0.00 N ATOM 78 CA ARG A 6 -5.899 -5.771 -6.095 1.00 0.00 C ATOM 79 C ARG A 6 -5.133 -4.600 -5.477 1.00 0.00 C ATOM 80 O ARG A 6 -5.505 -4.102 -4.415 1.00 0.00 O ATOM 81 CB ARG A 6 -5.282 -7.086 -5.615 1.00 0.00 C ATOM 82 CG ARG A 6 -6.218 -8.265 -5.892 1.00 0.00 C ATOM 83 CD ARG A 6 -5.534 -9.595 -5.570 1.00 0.00 C ATOM 84 NE ARG A 6 -6.502 -10.706 -5.700 1.00 0.00 N ATOM 85 CZ ARG A 6 -6.161 -12.012 -5.698 1.00 0.00 C ATOM 86 NH1 ARG A 6 -4.868 -12.382 -5.572 1.00 0.00 N ATOM 87 NH2 ARG A 6 -7.109 -12.922 -5.821 1.00 0.00 N ATOM 0 H ARG A 6 -5.290 -6.379 -8.006 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.941 -5.735 -5.778 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.328 -7.249 -6.117 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.074 -7.026 -4.547 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.124 -8.163 -5.294 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.524 -8.253 -6.938 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.693 -9.754 -6.245 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.130 -9.570 -4.558 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.490 -10.470 -5.797 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.141 -11.672 -5.477 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.618 -13.371 -5.571 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.083 -12.634 -5.916 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.868 -13.913 -5.821 1.00 0.00 H new ATOM 100 N VAL A 7 -4.077 -4.195 -6.167 1.00 0.00 N ATOM 101 CA VAL A 7 -3.255 -3.092 -5.698 1.00 0.00 C ATOM 102 C VAL A 7 -4.109 -1.825 -5.615 1.00 0.00 C ATOM 103 O VAL A 7 -4.286 -1.261 -4.536 1.00 0.00 O ATOM 104 CB VAL A 7 -2.032 -2.930 -6.603 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.050 -1.912 -6.020 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.346 -4.276 -6.844 1.00 0.00 C ATOM 0 H VAL A 7 -3.772 -4.611 -7.047 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.877 -3.296 -4.696 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.376 -2.552 -7.566 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.190 -1.816 -6.682 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.543 -0.945 -5.923 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.716 -2.249 -5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.480 -4.132 -7.490 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.022 -4.695 -5.891 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.046 -4.961 -7.322 1.00 0.00 H new ATOM 116 N LYS A 8 -4.616 -1.415 -6.768 1.00 0.00 N ATOM 117 CA LYS A 8 -5.447 -0.225 -6.840 1.00 0.00 C ATOM 118 C LYS A 8 -6.510 -0.285 -5.741 1.00 0.00 C ATOM 119 O LYS A 8 -6.766 0.711 -5.065 1.00 0.00 O ATOM 120 CB LYS A 8 -6.025 -0.059 -8.246 1.00 0.00 C ATOM 121 CG LYS A 8 -5.345 1.096 -8.985 1.00 0.00 C ATOM 122 CD LYS A 8 -4.659 0.602 -10.261 1.00 0.00 C ATOM 123 CE LYS A 8 -5.054 1.462 -11.463 1.00 0.00 C ATOM 124 NZ LYS A 8 -4.528 2.837 -11.312 1.00 0.00 N ATOM 0 H LYS A 8 -4.467 -1.886 -7.661 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.850 0.669 -6.659 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.893 -0.983 -8.809 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.097 0.126 -8.183 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.084 1.857 -9.236 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.611 1.568 -8.332 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.577 0.628 -10.130 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.933 -0.437 -10.447 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.666 1.017 -12.379 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.140 1.490 -11.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.656 3.357 -12.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.042 3.324 -10.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.516 2.798 -11.076 1.00 0.00 H new ATOM 137 N LYS A 9 -7.101 -1.461 -5.597 1.00 0.00 N ATOM 138 CA LYS A 9 -8.131 -1.664 -4.592 1.00 0.00 C ATOM 139 C LYS A 9 -7.587 -1.256 -3.222 1.00 0.00 C ATOM 140 O LYS A 9 -8.077 -0.305 -2.614 1.00 0.00 O ATOM 141 CB LYS A 9 -8.655 -3.100 -4.643 1.00 0.00 C ATOM 142 CG LYS A 9 -10.182 -3.131 -4.560 1.00 0.00 C ATOM 143 CD LYS A 9 -10.811 -2.879 -5.932 1.00 0.00 C ATOM 144 CE LYS A 9 -12.308 -3.195 -5.915 1.00 0.00 C ATOM 145 NZ LYS A 9 -12.788 -3.504 -7.280 1.00 0.00 N ATOM 0 H LYS A 9 -6.886 -2.284 -6.160 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.993 -1.028 -4.796 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.328 -3.577 -5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.231 -3.675 -3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.509 -4.098 -4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.527 -2.376 -3.854 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.658 -1.839 -6.221 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.314 -3.494 -6.682 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.500 -4.041 -5.256 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.860 -2.346 -5.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.806 -3.716 -7.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.623 -2.685 -7.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.273 -4.328 -7.651 1.00 0.00 H new ATOM 158 N ILE A 10 -6.583 -1.995 -2.775 1.00 0.00 N ATOM 159 CA ILE A 10 -5.967 -1.722 -1.487 1.00 0.00 C ATOM 160 C ILE A 10 -5.590 -0.241 -1.411 1.00 0.00 C ATOM 161 O ILE A 10 -5.946 0.445 -0.454 1.00 0.00 O ATOM 162 CB ILE A 10 -4.791 -2.669 -1.244 1.00 0.00 C ATOM 163 CG1 ILE A 10 -5.238 -4.130 -1.326 1.00 0.00 C ATOM 164 CG2 ILE A 10 -4.099 -2.355 0.084 1.00 0.00 C ATOM 165 CD1 ILE A 10 -5.567 -4.682 0.063 1.00 0.00 C ATOM 0 H ILE A 10 -6.180 -2.783 -3.282 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.673 -1.914 -0.679 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.057 -2.512 -2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.114 -4.210 -1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.451 -4.730 -1.782 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.267 -3.043 0.232 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.725 -1.331 0.066 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.812 -2.467 0.901 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.882 -5.722 -0.024 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.682 -4.623 0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.371 -4.095 0.507 1.00 0.00 H new ATOM 177 N ILE A 11 -4.874 0.208 -2.432 1.00 0.00 N ATOM 178 CA ILE A 11 -4.445 1.595 -2.492 1.00 0.00 C ATOM 179 C ILE A 11 -5.621 2.504 -2.131 1.00 0.00 C ATOM 180 O ILE A 11 -5.434 3.548 -1.508 1.00 0.00 O ATOM 181 CB ILE A 11 -3.824 1.904 -3.856 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.613 1.008 -4.124 1.00 0.00 C ATOM 183 CG2 ILE A 11 -3.476 3.389 -3.976 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.319 1.685 -3.666 1.00 0.00 C ATOM 0 H ILE A 11 -4.580 -0.364 -3.224 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.660 1.784 -1.760 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.564 1.683 -4.625 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.736 0.059 -3.602 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.552 0.781 -5.188 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.036 3.582 -4.955 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.381 3.985 -3.861 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.762 3.659 -3.198 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.473 1.028 -3.868 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.187 2.622 -4.207 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.374 1.888 -2.597 1.00 0.00 H new ATOM 196 N GLY A 12 -6.807 2.075 -2.537 1.00 0.00 N ATOM 197 CA GLY A 12 -8.013 2.838 -2.264 1.00 0.00 C ATOM 198 C GLY A 12 -8.375 2.778 -0.779 1.00 0.00 C ATOM 199 O GLY A 12 -8.865 3.756 -0.216 1.00 0.00 O ATOM 0 H GLY A 12 -6.958 1.208 -3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.867 3.875 -2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.838 2.446 -2.859 1.00 0.00 H new ATOM 203 N GLN A 13 -8.118 1.622 -0.186 1.00 0.00 N ATOM 204 CA GLN A 13 -8.410 1.422 1.224 1.00 0.00 C ATOM 205 C GLN A 13 -7.365 2.130 2.088 1.00 0.00 C ATOM 206 O GLN A 13 -7.654 2.529 3.215 1.00 0.00 O ATOM 207 CB GLN A 13 -8.483 -0.068 1.563 1.00 0.00 C ATOM 208 CG GLN A 13 -9.835 -0.424 2.184 1.00 0.00 C ATOM 209 CD GLN A 13 -9.723 -0.557 3.704 1.00 0.00 C ATOM 210 OE1 GLN A 13 -9.019 0.187 4.367 1.00 0.00 O ATOM 211 NE2 GLN A 13 -10.453 -1.543 4.216 1.00 0.00 N ATOM 0 H GLN A 13 -7.711 0.814 -0.656 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.386 1.858 1.438 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.327 -0.658 0.660 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.682 -0.327 2.255 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.567 0.345 1.936 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.199 -1.360 1.759 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.020 -2.129 3.603 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.446 -1.714 5.222 1.00 0.00 H new ATOM 220 N GLN A 14 -6.172 2.265 1.527 1.00 0.00 N ATOM 221 CA GLN A 14 -5.083 2.918 2.232 1.00 0.00 C ATOM 222 C GLN A 14 -5.479 4.346 2.615 1.00 0.00 C ATOM 223 O GLN A 14 -4.872 4.946 3.501 1.00 0.00 O ATOM 224 CB GLN A 14 -3.804 2.911 1.393 1.00 0.00 C ATOM 225 CG GLN A 14 -3.413 1.484 1.002 1.00 0.00 C ATOM 226 CD GLN A 14 -1.915 1.388 0.707 1.00 0.00 C ATOM 227 OE1 GLN A 14 -1.093 2.066 1.302 1.00 0.00 O ATOM 228 NE2 GLN A 14 -1.606 0.509 -0.242 1.00 0.00 N ATOM 0 H GLN A 14 -5.936 1.933 0.592 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.882 2.359 3.146 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.951 3.511 0.495 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.993 3.373 1.956 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.673 0.798 1.808 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.981 1.175 0.124 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.343 -0.027 -0.701 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.632 0.370 -0.511 1.00 0.00 H new ATOM 237 N LEU A 15 -6.495 4.848 1.929 1.00 0.00 N ATOM 238 CA LEU A 15 -6.979 6.194 2.186 1.00 0.00 C ATOM 239 C LEU A 15 -8.476 6.260 1.880 1.00 0.00 C ATOM 240 O LEU A 15 -9.292 6.427 2.785 1.00 0.00 O ATOM 241 CB LEU A 15 -6.148 7.219 1.413 1.00 0.00 C ATOM 242 CG LEU A 15 -6.927 8.372 0.777 1.00 0.00 C ATOM 243 CD1 LEU A 15 -7.800 9.082 1.814 1.00 0.00 C ATOM 244 CD2 LEU A 15 -5.985 9.342 0.061 1.00 0.00 C ATOM 0 H LEU A 15 -6.996 4.347 1.196 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.857 6.448 3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.404 7.639 2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.604 6.697 0.626 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.595 7.957 0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.343 9.897 1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.511 8.373 2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.169 9.483 2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.565 10.152 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.274 9.754 0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.444 8.812 -0.723 1.00 0.00 H new ATOM 256 N GLY A 16 -8.793 6.125 0.600 1.00 0.00 N ATOM 257 CA GLY A 16 -10.178 6.167 0.164 1.00 0.00 C ATOM 258 C GLY A 16 -10.343 7.086 -1.048 1.00 0.00 C ATOM 259 O GLY A 16 -10.746 8.240 -0.906 1.00 0.00 O ATOM 0 H GLY A 16 -8.114 5.987 -0.149 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.514 5.161 -0.089 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.810 6.518 0.980 1.00 0.00 H new ATOM 263 N VAL A 17 -10.024 6.541 -2.213 1.00 0.00 N ATOM 264 CA VAL A 17 -10.133 7.298 -3.448 1.00 0.00 C ATOM 265 C VAL A 17 -10.811 6.434 -4.513 1.00 0.00 C ATOM 266 O VAL A 17 -11.172 5.288 -4.250 1.00 0.00 O ATOM 267 CB VAL A 17 -8.752 7.800 -3.876 1.00 0.00 C ATOM 268 CG1 VAL A 17 -8.874 8.997 -4.822 1.00 0.00 C ATOM 269 CG2 VAL A 17 -7.893 8.148 -2.659 1.00 0.00 C ATOM 0 H VAL A 17 -9.690 5.584 -2.327 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.755 8.181 -3.302 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.255 6.994 -4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.879 9.335 -5.111 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.430 8.702 -5.712 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.400 9.808 -4.317 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.917 8.502 -2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.384 8.929 -2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.765 7.261 -2.038 1.00 0.00 H new ATOM 279 N LYS A 18 -10.964 7.017 -5.693 1.00 0.00 N ATOM 280 CA LYS A 18 -11.593 6.314 -6.799 1.00 0.00 C ATOM 281 C LYS A 18 -10.510 5.765 -7.730 1.00 0.00 C ATOM 282 O LYS A 18 -9.420 5.413 -7.281 1.00 0.00 O ATOM 283 CB LYS A 18 -12.607 7.219 -7.501 1.00 0.00 C ATOM 284 CG LYS A 18 -13.891 6.455 -7.827 1.00 0.00 C ATOM 285 CD LYS A 18 -15.127 7.265 -7.432 1.00 0.00 C ATOM 286 CE LYS A 18 -16.371 6.376 -7.373 1.00 0.00 C ATOM 287 NZ LYS A 18 -16.818 6.019 -8.738 1.00 0.00 N ATOM 0 H LYS A 18 -10.663 7.968 -5.908 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.163 5.460 -6.433 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.839 8.073 -6.864 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.172 7.615 -8.419 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.924 6.231 -8.893 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.894 5.501 -7.301 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.964 7.733 -6.461 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.284 8.069 -8.151 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.152 5.470 -6.807 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.172 6.895 -6.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.663 5.416 -8.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -17.047 6.885 -9.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.059 5.505 -9.229 1.00 0.00 H new ATOM 300 N GLN A 19 -10.849 5.708 -9.009 1.00 0.00 N ATOM 301 CA GLN A 19 -9.919 5.207 -10.008 1.00 0.00 C ATOM 302 C GLN A 19 -9.288 6.370 -10.776 1.00 0.00 C ATOM 303 O GLN A 19 -8.070 6.420 -10.943 1.00 0.00 O ATOM 304 CB GLN A 19 -10.612 4.231 -10.961 1.00 0.00 C ATOM 305 CG GLN A 19 -10.193 2.789 -10.669 1.00 0.00 C ATOM 306 CD GLN A 19 -11.013 1.801 -11.501 1.00 0.00 C ATOM 307 OE1 GLN A 19 -12.233 1.825 -11.515 1.00 0.00 O ATOM 308 NE2 GLN A 19 -10.278 0.933 -12.190 1.00 0.00 N ATOM 0 H GLN A 19 -11.754 6.000 -9.377 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.125 4.662 -9.497 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.693 4.326 -10.862 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.363 4.484 -11.991 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.133 2.663 -10.889 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.326 2.575 -9.608 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.260 0.968 -12.133 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.732 0.232 -12.775 1.00 0.00 H new ATOM 317 N GLU A 20 -10.145 7.276 -11.223 1.00 0.00 N ATOM 318 CA GLU A 20 -9.687 8.435 -11.970 1.00 0.00 C ATOM 319 C GLU A 20 -8.752 9.286 -11.108 1.00 0.00 C ATOM 320 O GLU A 20 -7.870 9.967 -11.629 1.00 0.00 O ATOM 321 CB GLU A 20 -10.869 9.263 -12.478 1.00 0.00 C ATOM 322 CG GLU A 20 -10.709 9.593 -13.963 1.00 0.00 C ATOM 323 CD GLU A 20 -11.804 10.553 -14.432 1.00 0.00 C ATOM 324 OE1 GLU A 20 -11.515 11.717 -14.749 1.00 0.00 O ATOM 325 OE2 GLU A 20 -12.992 10.051 -14.463 1.00 0.00 O ATOM 0 H GLU A 20 -11.154 7.231 -11.082 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.131 8.085 -12.840 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.797 8.713 -12.322 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.945 10.186 -11.903 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.730 10.040 -14.137 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.749 8.675 -14.550 1.00 0.00 H new ATOM 333 N GLU A 21 -8.977 9.220 -9.804 1.00 0.00 N ATOM 334 CA GLU A 21 -8.166 9.975 -8.865 1.00 0.00 C ATOM 335 C GLU A 21 -6.907 9.188 -8.497 1.00 0.00 C ATOM 336 O GLU A 21 -5.973 9.739 -7.917 1.00 0.00 O ATOM 337 CB GLU A 21 -8.969 10.340 -7.615 1.00 0.00 C ATOM 338 CG GLU A 21 -9.666 11.691 -7.786 1.00 0.00 C ATOM 339 CD GLU A 21 -9.544 12.535 -6.516 1.00 0.00 C ATOM 340 OE1 GLU A 21 -8.425 12.878 -6.105 1.00 0.00 O ATOM 341 OE2 GLU A 21 -10.664 12.836 -5.951 1.00 0.00 O ATOM 0 H GLU A 21 -9.710 8.655 -9.376 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.862 10.905 -9.345 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.711 9.567 -7.416 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.306 10.376 -6.750 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.226 12.227 -8.627 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.718 11.534 -8.023 1.00 0.00 H new ATOM 349 N VAL A 22 -6.922 7.911 -8.850 1.00 0.00 N ATOM 350 CA VAL A 22 -5.793 7.042 -8.564 1.00 0.00 C ATOM 351 C VAL A 22 -5.312 6.394 -9.864 1.00 0.00 C ATOM 352 O VAL A 22 -4.901 5.234 -9.869 1.00 0.00 O ATOM 353 CB VAL A 22 -6.178 6.019 -7.493 1.00 0.00 C ATOM 354 CG1 VAL A 22 -6.750 4.750 -8.128 1.00 0.00 C ATOM 355 CG2 VAL A 22 -4.985 5.693 -6.593 1.00 0.00 C ATOM 0 H VAL A 22 -7.698 7.457 -9.332 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.960 7.618 -8.160 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.956 6.461 -6.870 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.016 4.039 -7.345 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.639 5.002 -8.707 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.004 4.304 -8.785 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.285 4.964 -5.841 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.176 5.280 -7.196 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.642 6.603 -6.100 1.00 0.00 H new ATOM 365 N THR A 23 -5.380 7.170 -10.936 1.00 0.00 N ATOM 366 CA THR A 23 -4.956 6.686 -12.239 1.00 0.00 C ATOM 367 C THR A 23 -3.700 5.823 -12.105 1.00 0.00 C ATOM 368 O THR A 23 -2.987 5.910 -11.106 1.00 0.00 O ATOM 369 CB THR A 23 -4.767 7.897 -13.154 1.00 0.00 C ATOM 370 OG1 THR A 23 -3.702 8.626 -12.550 1.00 0.00 O ATOM 371 CG2 THR A 23 -5.954 8.862 -13.103 1.00 0.00 C ATOM 0 H THR A 23 -5.722 8.131 -10.929 1.00 0.00 H new ATOM 0 HA THR A 23 -5.710 6.038 -12.685 1.00 0.00 H new ATOM 0 HB THR A 23 -4.620 7.557 -14.179 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.698 9.544 -12.893 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.768 9.703 -13.771 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.859 8.342 -13.418 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.081 9.228 -12.084 1.00 0.00 H new ATOM 379 N ASN A 24 -3.468 5.010 -13.125 1.00 0.00 N ATOM 380 CA ASN A 24 -2.310 4.132 -13.133 1.00 0.00 C ATOM 381 C ASN A 24 -1.084 4.916 -13.607 1.00 0.00 C ATOM 382 O ASN A 24 -0.357 4.464 -14.490 1.00 0.00 O ATOM 383 CB ASN A 24 -2.518 2.956 -14.089 1.00 0.00 C ATOM 384 CG ASN A 24 -2.966 3.444 -15.469 1.00 0.00 C ATOM 385 OD1 ASN A 24 -2.821 4.602 -15.824 1.00 0.00 O ATOM 386 ND2 ASN A 24 -3.517 2.498 -16.224 1.00 0.00 N ATOM 0 H ASN A 24 -4.062 4.941 -13.951 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.166 3.753 -12.121 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.591 2.390 -14.183 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.266 2.277 -13.679 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.849 2.723 -17.162 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.608 1.548 -15.865 1.00 0.00 H new ATOM 393 N ASN A 25 -0.894 6.078 -12.999 1.00 0.00 N ATOM 394 CA ASN A 25 0.231 6.929 -13.348 1.00 0.00 C ATOM 395 C ASN A 25 0.047 8.302 -12.697 1.00 0.00 C ATOM 396 O ASN A 25 0.325 9.328 -13.316 1.00 0.00 O ATOM 397 CB ASN A 25 0.320 7.132 -14.862 1.00 0.00 C ATOM 398 CG ASN A 25 1.738 6.861 -15.369 1.00 0.00 C ATOM 399 OD1 ASN A 25 2.222 5.741 -15.368 1.00 0.00 O ATOM 400 ND2 ASN A 25 2.374 7.946 -15.801 1.00 0.00 N ATOM 0 H ASN A 25 -1.500 6.450 -12.267 1.00 0.00 H new ATOM 0 HA ASN A 25 1.142 6.445 -12.995 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.383 6.467 -15.364 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.029 8.152 -15.114 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.326 7.870 -16.160 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.910 8.854 -15.774 1.00 0.00 H new ATOM 407 N ALA A 26 -0.419 8.276 -11.458 1.00 0.00 N ATOM 408 CA ALA A 26 -0.643 9.505 -10.716 1.00 0.00 C ATOM 409 C ALA A 26 0.242 9.512 -9.468 1.00 0.00 C ATOM 410 O ALA A 26 0.637 8.455 -8.978 1.00 0.00 O ATOM 411 CB ALA A 26 -2.130 9.634 -10.378 1.00 0.00 C ATOM 0 H ALA A 26 -0.648 7.423 -10.948 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.369 10.372 -11.318 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.298 10.556 -9.821 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.712 9.655 -11.299 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.441 8.783 -9.772 1.00 0.00 H new ATOM 417 N SER A 27 0.527 10.714 -8.990 1.00 0.00 N ATOM 418 CA SER A 27 1.358 10.872 -7.809 1.00 0.00 C ATOM 419 C SER A 27 0.724 10.143 -6.622 1.00 0.00 C ATOM 420 O SER A 27 -0.345 9.549 -6.753 1.00 0.00 O ATOM 421 CB SER A 27 1.565 12.351 -7.475 1.00 0.00 C ATOM 422 OG SER A 27 2.857 12.809 -7.862 1.00 0.00 O ATOM 0 H SER A 27 0.197 11.588 -9.399 1.00 0.00 H new ATOM 0 HA SER A 27 2.334 10.434 -8.017 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.803 12.947 -7.978 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.432 12.503 -6.404 1.00 0.00 H new ATOM 0 HG SER A 27 2.950 13.758 -7.634 1.00 0.00 H new ATOM 428 N PHE A 28 1.410 10.213 -5.491 1.00 0.00 N ATOM 429 CA PHE A 28 0.928 9.568 -4.282 1.00 0.00 C ATOM 430 C PHE A 28 0.009 10.501 -3.491 1.00 0.00 C ATOM 431 O PHE A 28 -1.185 10.240 -3.362 1.00 0.00 O ATOM 432 CB PHE A 28 2.156 9.238 -3.431 1.00 0.00 C ATOM 433 CG PHE A 28 2.350 7.742 -3.172 1.00 0.00 C ATOM 434 CD1 PHE A 28 2.256 6.856 -4.199 1.00 0.00 C ATOM 435 CD2 PHE A 28 2.616 7.299 -1.914 1.00 0.00 C ATOM 436 CE1 PHE A 28 2.436 5.468 -3.959 1.00 0.00 C ATOM 437 CE2 PHE A 28 2.796 5.911 -1.673 1.00 0.00 C ATOM 438 CZ PHE A 28 2.702 5.025 -2.701 1.00 0.00 C ATOM 0 H PHE A 28 2.296 10.707 -5.386 1.00 0.00 H new ATOM 0 HA PHE A 28 0.359 8.674 -4.539 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.045 9.629 -3.927 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.072 9.754 -2.475 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.044 7.208 -5.198 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.690 8.003 -1.098 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.362 4.765 -4.775 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.007 5.559 -0.674 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.839 3.969 -2.518 1.00 0.00 H new ATOM 448 N VAL A 29 0.603 11.571 -2.982 1.00 0.00 N ATOM 449 CA VAL A 29 -0.147 12.545 -2.207 1.00 0.00 C ATOM 450 C VAL A 29 -0.400 13.787 -3.064 1.00 0.00 C ATOM 451 O VAL A 29 -1.290 14.581 -2.766 1.00 0.00 O ATOM 452 CB VAL A 29 0.592 12.858 -0.904 1.00 0.00 C ATOM 453 CG1 VAL A 29 -0.311 13.621 0.068 1.00 0.00 C ATOM 454 CG2 VAL A 29 1.134 11.580 -0.261 1.00 0.00 C ATOM 0 H VAL A 29 1.594 11.785 -3.091 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.119 12.141 -1.925 1.00 0.00 H new ATOM 0 HB VAL A 29 1.441 13.498 -1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.238 13.831 0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.627 14.559 -0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.188 13.017 0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.655 11.830 0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.307 10.905 -0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.827 11.093 -0.947 1.00 0.00 H new ATOM 464 N GLU A 30 0.400 13.916 -4.112 1.00 0.00 N ATOM 465 CA GLU A 30 0.275 15.048 -5.015 1.00 0.00 C ATOM 466 C GLU A 30 -0.867 14.812 -6.006 1.00 0.00 C ATOM 467 O GLU A 30 -1.250 15.719 -6.744 1.00 0.00 O ATOM 468 CB GLU A 30 1.591 15.313 -5.748 1.00 0.00 C ATOM 469 CG GLU A 30 2.177 16.669 -5.348 1.00 0.00 C ATOM 470 CD GLU A 30 2.780 17.384 -6.559 1.00 0.00 C ATOM 471 OE1 GLU A 30 2.102 17.547 -7.584 1.00 0.00 O ATOM 472 OE2 GLU A 30 3.999 17.778 -6.409 1.00 0.00 O ATOM 0 H GLU A 30 1.138 13.255 -4.356 1.00 0.00 H new ATOM 0 HA GLU A 30 0.041 15.934 -4.425 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.305 14.522 -5.519 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.423 15.288 -6.825 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.398 17.290 -4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.943 16.528 -4.586 1.00 0.00 H new ATOM 480 N ASP A 31 -1.378 13.590 -5.991 1.00 0.00 N ATOM 481 CA ASP A 31 -2.468 13.224 -6.879 1.00 0.00 C ATOM 482 C ASP A 31 -3.389 12.231 -6.167 1.00 0.00 C ATOM 483 O ASP A 31 -4.600 12.438 -6.103 1.00 0.00 O ATOM 484 CB ASP A 31 -1.942 12.554 -8.150 1.00 0.00 C ATOM 485 CG ASP A 31 -1.737 13.494 -9.339 1.00 0.00 C ATOM 486 OD1 ASP A 31 -2.610 14.312 -9.664 1.00 0.00 O ATOM 487 OD2 ASP A 31 -0.610 13.359 -9.952 1.00 0.00 O ATOM 0 H ASP A 31 -1.057 12.841 -5.378 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.004 14.134 -7.147 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.993 12.070 -7.921 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.638 11.768 -8.443 1.00 0.00 H new ATOM 493 N LEU A 32 -2.780 11.174 -5.650 1.00 0.00 N ATOM 494 CA LEU A 32 -3.530 10.148 -4.945 1.00 0.00 C ATOM 495 C LEU A 32 -3.727 10.576 -3.490 1.00 0.00 C ATOM 496 O LEU A 32 -4.214 9.798 -2.671 1.00 0.00 O ATOM 497 CB LEU A 32 -2.849 8.786 -5.099 1.00 0.00 C ATOM 498 CG LEU A 32 -3.111 7.776 -3.980 1.00 0.00 C ATOM 499 CD1 LEU A 32 -4.608 7.506 -3.824 1.00 0.00 C ATOM 500 CD2 LEU A 32 -2.316 6.488 -4.207 1.00 0.00 C ATOM 0 H LEU A 32 -1.775 11.006 -5.705 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.522 10.034 -5.381 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.171 8.345 -6.042 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.773 8.946 -5.173 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.763 8.208 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.766 6.785 -3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.122 8.436 -3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.004 7.104 -4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.520 5.787 -3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.610 6.041 -5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.251 6.717 -4.228 1.00 0.00 H new ATOM 512 N GLY A 33 -3.340 11.813 -3.213 1.00 0.00 N ATOM 513 CA GLY A 33 -3.468 12.354 -1.870 1.00 0.00 C ATOM 514 C GLY A 33 -3.216 11.273 -0.817 1.00 0.00 C ATOM 515 O GLY A 33 -3.809 11.301 0.261 1.00 0.00 O ATOM 0 H GLY A 33 -2.938 12.456 -3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.759 13.171 -1.734 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.466 12.772 -1.736 1.00 0.00 H new ATOM 519 N ALA A 34 -2.336 10.346 -1.165 1.00 0.00 N ATOM 520 CA ALA A 34 -1.999 9.258 -0.263 1.00 0.00 C ATOM 521 C ALA A 34 -1.301 9.825 0.975 1.00 0.00 C ATOM 522 O ALA A 34 -0.086 9.699 1.120 1.00 0.00 O ATOM 523 CB ALA A 34 -1.135 8.233 -1.001 1.00 0.00 C ATOM 0 H ALA A 34 -1.846 10.326 -2.059 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.900 8.745 0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.882 7.416 -0.325 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.687 7.839 -1.855 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.220 8.712 -1.350 1.00 0.00 H new ATOM 529 N ASP A 35 -2.100 10.439 1.835 1.00 0.00 N ATOM 530 CA ASP A 35 -1.575 11.026 3.056 1.00 0.00 C ATOM 531 C ASP A 35 -0.697 9.999 3.775 1.00 0.00 C ATOM 532 O ASP A 35 -0.563 8.865 3.319 1.00 0.00 O ATOM 533 CB ASP A 35 -2.705 11.428 4.005 1.00 0.00 C ATOM 534 CG ASP A 35 -3.457 10.261 4.647 1.00 0.00 C ATOM 535 OD1 ASP A 35 -3.771 10.285 5.846 1.00 0.00 O ATOM 536 OD2 ASP A 35 -3.725 9.281 3.851 1.00 0.00 O ATOM 0 H ASP A 35 -3.107 10.543 1.710 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.001 11.912 2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.290 12.052 4.796 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.419 12.042 3.456 1.00 0.00 H new ATOM 542 N SER A 36 -0.123 10.433 4.887 1.00 0.00 N ATOM 543 CA SER A 36 0.738 9.566 5.673 1.00 0.00 C ATOM 544 C SER A 36 0.067 8.205 5.872 1.00 0.00 C ATOM 545 O SER A 36 0.701 7.165 5.699 1.00 0.00 O ATOM 546 CB SER A 36 1.069 10.198 7.026 1.00 0.00 C ATOM 547 OG SER A 36 2.457 10.493 7.152 1.00 0.00 O ATOM 0 H SER A 36 -0.237 11.374 5.263 1.00 0.00 H new ATOM 0 HA SER A 36 1.673 9.428 5.130 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.491 11.114 7.149 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.768 9.521 7.826 1.00 0.00 H new ATOM 0 HG SER A 36 2.627 10.897 8.029 1.00 0.00 H new ATOM 553 N LEU A 37 -1.207 8.256 6.233 1.00 0.00 N ATOM 554 CA LEU A 37 -1.970 7.040 6.458 1.00 0.00 C ATOM 555 C LEU A 37 -1.814 6.115 5.250 1.00 0.00 C ATOM 556 O LEU A 37 -1.432 4.955 5.397 1.00 0.00 O ATOM 557 CB LEU A 37 -3.425 7.375 6.793 1.00 0.00 C ATOM 558 CG LEU A 37 -3.648 8.207 8.057 1.00 0.00 C ATOM 559 CD1 LEU A 37 -5.099 8.683 8.152 1.00 0.00 C ATOM 560 CD2 LEU A 37 -3.215 7.435 9.305 1.00 0.00 C ATOM 0 H LEU A 37 -1.730 9.120 6.375 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.584 6.502 7.324 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.857 7.911 5.948 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.978 6.441 6.894 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.021 9.097 7.995 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.230 9.272 9.060 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.338 9.297 7.283 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.764 7.820 8.181 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.384 8.049 10.190 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.796 6.516 9.384 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.156 7.189 9.231 1.00 0.00 H new ATOM 572 N ASP A 38 -2.118 6.662 4.082 1.00 0.00 N ATOM 573 CA ASP A 38 -2.017 5.900 2.849 1.00 0.00 C ATOM 574 C ASP A 38 -0.591 5.364 2.702 1.00 0.00 C ATOM 575 O ASP A 38 -0.395 4.194 2.376 1.00 0.00 O ATOM 576 CB ASP A 38 -2.319 6.778 1.633 1.00 0.00 C ATOM 577 CG ASP A 38 -2.425 6.027 0.304 1.00 0.00 C ATOM 578 OD1 ASP A 38 -1.453 5.414 -0.162 1.00 0.00 O ATOM 579 OD2 ASP A 38 -3.580 6.089 -0.267 1.00 0.00 O ATOM 0 H ASP A 38 -2.435 7.624 3.964 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.740 5.086 2.895 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.255 7.308 1.810 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.537 7.533 1.545 1.00 0.00 H new ATOM 585 N THR A 39 0.367 6.244 2.950 1.00 0.00 N ATOM 586 CA THR A 39 1.768 5.874 2.849 1.00 0.00 C ATOM 587 C THR A 39 2.080 4.708 3.790 1.00 0.00 C ATOM 588 O THR A 39 2.737 3.746 3.395 1.00 0.00 O ATOM 589 CB THR A 39 2.608 7.122 3.129 1.00 0.00 C ATOM 590 OG1 THR A 39 2.413 7.937 1.976 1.00 0.00 O ATOM 591 CG2 THR A 39 4.110 6.829 3.128 1.00 0.00 C ATOM 0 H THR A 39 0.200 7.213 3.221 1.00 0.00 H new ATOM 0 HA THR A 39 2.012 5.518 1.848 1.00 0.00 H new ATOM 0 HB THR A 39 2.321 7.544 4.092 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.531 8.361 2.021 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.660 7.748 3.332 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.337 6.092 3.898 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.404 6.438 2.154 1.00 0.00 H new ATOM 599 N VAL A 40 1.595 4.833 5.016 1.00 0.00 N ATOM 600 CA VAL A 40 1.814 3.801 6.016 1.00 0.00 C ATOM 601 C VAL A 40 1.039 2.542 5.622 1.00 0.00 C ATOM 602 O VAL A 40 1.532 1.428 5.789 1.00 0.00 O ATOM 603 CB VAL A 40 1.435 4.327 7.402 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.485 3.209 8.445 1.00 0.00 C ATOM 605 CG2 VAL A 40 2.334 5.497 7.809 1.00 0.00 C ATOM 0 H VAL A 40 1.051 5.633 5.340 1.00 0.00 H new ATOM 0 HA VAL A 40 2.869 3.532 6.062 1.00 0.00 H new ATOM 0 HB VAL A 40 0.410 4.694 7.352 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.211 3.610 9.421 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.785 2.421 8.167 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.494 2.799 8.491 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.044 5.852 8.798 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.373 5.167 7.833 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.227 6.306 7.087 1.00 0.00 H new ATOM 615 N GLU A 41 -0.161 2.762 5.107 1.00 0.00 N ATOM 616 CA GLU A 41 -1.009 1.659 4.688 1.00 0.00 C ATOM 617 C GLU A 41 -0.320 0.847 3.589 1.00 0.00 C ATOM 618 O GLU A 41 -0.691 -0.297 3.332 1.00 0.00 O ATOM 619 CB GLU A 41 -2.376 2.165 4.220 1.00 0.00 C ATOM 620 CG GLU A 41 -3.378 2.185 5.377 1.00 0.00 C ATOM 621 CD GLU A 41 -4.466 1.127 5.178 1.00 0.00 C ATOM 622 OE1 GLU A 41 -4.264 0.165 4.422 1.00 0.00 O ATOM 623 OE2 GLU A 41 -5.552 1.330 5.843 1.00 0.00 O ATOM 0 H GLU A 41 -0.567 3.688 4.970 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.173 1.007 5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.274 3.168 3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.750 1.526 3.421 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.857 2.004 6.317 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.835 3.172 5.451 1.00 0.00 H new ATOM 631 N LEU A 42 0.671 1.472 2.970 1.00 0.00 N ATOM 632 CA LEU A 42 1.416 0.822 1.905 1.00 0.00 C ATOM 633 C LEU A 42 2.400 -0.179 2.514 1.00 0.00 C ATOM 634 O LEU A 42 2.723 -1.192 1.895 1.00 0.00 O ATOM 635 CB LEU A 42 2.078 1.863 1.001 1.00 0.00 C ATOM 636 CG LEU A 42 2.052 1.563 -0.499 1.00 0.00 C ATOM 637 CD1 LEU A 42 0.910 2.312 -1.189 1.00 0.00 C ATOM 638 CD2 LEU A 42 3.407 1.867 -1.142 1.00 0.00 C ATOM 0 H LEU A 42 0.975 2.421 3.186 1.00 0.00 H new ATOM 0 HA LEU A 42 0.743 0.256 1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.590 2.823 1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.117 1.976 1.311 1.00 0.00 H new ATOM 0 HG LEU A 42 1.864 0.497 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.915 2.081 -2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.041 2.004 -0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.042 3.385 -1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.362 1.645 -2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.649 2.920 -1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.177 1.252 -0.676 1.00 0.00 H new ATOM 650 N VAL A 43 2.849 0.140 3.719 1.00 0.00 N ATOM 651 CA VAL A 43 3.790 -0.719 4.418 1.00 0.00 C ATOM 652 C VAL A 43 3.029 -1.870 5.079 1.00 0.00 C ATOM 653 O VAL A 43 3.598 -2.932 5.329 1.00 0.00 O ATOM 654 CB VAL A 43 4.611 0.105 5.412 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.760 -0.722 5.992 1.00 0.00 C ATOM 656 CG2 VAL A 43 5.132 1.389 4.763 1.00 0.00 C ATOM 0 H VAL A 43 2.579 0.981 4.229 1.00 0.00 H new ATOM 0 HA VAL A 43 4.500 -1.159 3.717 1.00 0.00 H new ATOM 0 HB VAL A 43 3.954 0.389 6.234 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.328 -0.113 6.695 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.357 -1.593 6.509 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.415 -1.050 5.185 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.712 1.955 5.492 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.765 1.136 3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.290 1.992 4.422 1.00 0.00 H new ATOM 666 N MET A 44 1.755 -1.620 5.344 1.00 0.00 N ATOM 667 CA MET A 44 0.911 -2.622 5.972 1.00 0.00 C ATOM 668 C MET A 44 0.272 -3.535 4.924 1.00 0.00 C ATOM 669 O MET A 44 0.252 -4.754 5.087 1.00 0.00 O ATOM 670 CB MET A 44 -0.186 -1.930 6.783 1.00 0.00 C ATOM 671 CG MET A 44 0.388 -1.289 8.048 1.00 0.00 C ATOM 672 SD MET A 44 -0.895 -0.412 8.925 1.00 0.00 S ATOM 673 CE MET A 44 0.052 0.240 10.290 1.00 0.00 C ATOM 0 H MET A 44 1.287 -0.738 5.135 1.00 0.00 H new ATOM 0 HA MET A 44 1.531 -3.232 6.629 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.669 -1.167 6.172 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.954 -2.654 7.055 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.820 -2.056 8.691 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.194 -0.604 7.785 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.585 0.877 10.903 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.432 -0.583 10.895 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.888 0.825 9.906 1.00 0.00 H new ATOM 683 N ALA A 45 -0.233 -2.911 3.870 1.00 0.00 N ATOM 684 CA ALA A 45 -0.870 -3.652 2.795 1.00 0.00 C ATOM 685 C ALA A 45 0.084 -4.739 2.295 1.00 0.00 C ATOM 686 O ALA A 45 -0.310 -5.895 2.148 1.00 0.00 O ATOM 687 CB ALA A 45 -1.286 -2.685 1.685 1.00 0.00 C ATOM 0 H ALA A 45 -0.214 -1.900 3.738 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.774 -4.146 3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.764 -3.241 0.878 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.986 -1.952 2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.405 -2.172 1.300 1.00 0.00 H new ATOM 693 N LEU A 46 1.319 -4.329 2.048 1.00 0.00 N ATOM 694 CA LEU A 46 2.332 -5.253 1.568 1.00 0.00 C ATOM 695 C LEU A 46 2.694 -6.233 2.686 1.00 0.00 C ATOM 696 O LEU A 46 3.169 -7.336 2.420 1.00 0.00 O ATOM 697 CB LEU A 46 3.533 -4.488 1.008 1.00 0.00 C ATOM 698 CG LEU A 46 3.345 -3.865 -0.377 1.00 0.00 C ATOM 699 CD1 LEU A 46 4.421 -2.814 -0.655 1.00 0.00 C ATOM 700 CD2 LEU A 46 3.303 -4.943 -1.462 1.00 0.00 C ATOM 0 H LEU A 46 1.641 -3.369 2.171 1.00 0.00 H new ATOM 0 HA LEU A 46 1.945 -5.845 0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.792 -3.695 1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.384 -5.168 0.966 1.00 0.00 H new ATOM 0 HG LEU A 46 2.383 -3.354 -0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.265 -2.387 -1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.361 -2.025 0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.405 -3.281 -0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.169 -4.473 -2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.238 -5.503 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.472 -5.622 -1.269 1.00 0.00 H new ATOM 712 N GLU A 47 2.455 -5.794 3.913 1.00 0.00 N ATOM 713 CA GLU A 47 2.750 -6.619 5.073 1.00 0.00 C ATOM 714 C GLU A 47 1.631 -7.637 5.299 1.00 0.00 C ATOM 715 O GLU A 47 1.877 -8.737 5.792 1.00 0.00 O ATOM 716 CB GLU A 47 2.966 -5.756 6.318 1.00 0.00 C ATOM 717 CG GLU A 47 4.431 -5.789 6.761 1.00 0.00 C ATOM 718 CD GLU A 47 4.575 -6.458 8.129 1.00 0.00 C ATOM 719 OE1 GLU A 47 3.812 -6.147 9.055 1.00 0.00 O ATOM 720 OE2 GLU A 47 5.521 -7.332 8.211 1.00 0.00 O ATOM 0 H GLU A 47 2.061 -4.878 4.129 1.00 0.00 H new ATOM 0 HA GLU A 47 3.675 -7.163 4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.669 -4.728 6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.329 -6.113 7.127 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.025 -6.329 6.024 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.824 -4.773 6.806 1.00 0.00 H new ATOM 728 N GLU A 48 0.424 -7.234 4.927 1.00 0.00 N ATOM 729 CA GLU A 48 -0.734 -8.098 5.083 1.00 0.00 C ATOM 730 C GLU A 48 -1.053 -8.802 3.762 1.00 0.00 C ATOM 731 O GLU A 48 -1.845 -9.742 3.731 1.00 0.00 O ATOM 732 CB GLU A 48 -1.942 -7.309 5.589 1.00 0.00 C ATOM 733 CG GLU A 48 -2.635 -8.044 6.739 1.00 0.00 C ATOM 734 CD GLU A 48 -4.132 -8.201 6.466 1.00 0.00 C ATOM 735 OE1 GLU A 48 -4.535 -8.387 5.308 1.00 0.00 O ATOM 736 OE2 GLU A 48 -4.887 -8.125 7.509 1.00 0.00 O ATOM 0 H GLU A 48 0.223 -6.321 4.518 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.499 -8.857 5.829 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.622 -6.322 5.924 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.648 -7.155 4.773 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.181 -9.026 6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.487 -7.494 7.668 1.00 0.00 H new ATOM 744 N GLU A 49 -0.419 -8.319 2.703 1.00 0.00 N ATOM 745 CA GLU A 49 -0.625 -8.890 1.383 1.00 0.00 C ATOM 746 C GLU A 49 0.389 -10.006 1.123 1.00 0.00 C ATOM 747 O GLU A 49 0.012 -11.160 0.930 1.00 0.00 O ATOM 748 CB GLU A 49 -0.544 -7.812 0.301 1.00 0.00 C ATOM 749 CG GLU A 49 -0.877 -8.390 -1.076 1.00 0.00 C ATOM 750 CD GLU A 49 0.374 -8.474 -1.953 1.00 0.00 C ATOM 751 OE1 GLU A 49 1.380 -7.810 -1.662 1.00 0.00 O ATOM 752 OE2 GLU A 49 0.277 -9.264 -2.968 1.00 0.00 O ATOM 0 H GLU A 49 0.237 -7.539 2.733 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.626 -9.320 1.347 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.235 -7.003 0.536 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.457 -7.381 0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.313 -9.383 -0.962 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.626 -7.767 -1.564 1.00 0.00 H new ATOM 760 N PHE A 50 1.657 -9.621 1.125 1.00 0.00 N ATOM 761 CA PHE A 50 2.729 -10.574 0.891 1.00 0.00 C ATOM 762 C PHE A 50 3.762 -10.525 2.018 1.00 0.00 C ATOM 763 O PHE A 50 4.888 -10.994 1.855 1.00 0.00 O ATOM 764 CB PHE A 50 3.404 -10.175 -0.422 1.00 0.00 C ATOM 765 CG PHE A 50 3.504 -11.312 -1.441 1.00 0.00 C ATOM 766 CD1 PHE A 50 4.313 -12.377 -1.195 1.00 0.00 C ATOM 767 CD2 PHE A 50 2.784 -11.258 -2.594 1.00 0.00 C ATOM 768 CE1 PHE A 50 4.406 -13.432 -2.141 1.00 0.00 C ATOM 769 CE2 PHE A 50 2.876 -12.313 -3.539 1.00 0.00 C ATOM 770 CZ PHE A 50 3.685 -13.378 -3.293 1.00 0.00 C ATOM 0 H PHE A 50 1.966 -8.662 1.285 1.00 0.00 H new ATOM 0 HA PHE A 50 2.325 -11.585 0.849 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.849 -9.349 -0.868 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.406 -9.806 -0.206 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.885 -12.420 -0.280 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.142 -10.412 -2.790 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.049 -14.277 -1.946 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.303 -12.270 -4.454 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.755 -14.181 -4.012 1.00 0.00 H new ATOM 780 N ASP A 51 3.344 -9.952 3.137 1.00 0.00 N ATOM 781 CA ASP A 51 4.219 -9.835 4.291 1.00 0.00 C ATOM 782 C ASP A 51 5.638 -9.511 3.818 1.00 0.00 C ATOM 783 O ASP A 51 6.560 -10.297 4.030 1.00 0.00 O ATOM 784 CB ASP A 51 4.270 -11.145 5.079 1.00 0.00 C ATOM 785 CG ASP A 51 4.772 -11.015 6.518 1.00 0.00 C ATOM 786 OD1 ASP A 51 5.981 -11.090 6.783 1.00 0.00 O ATOM 787 OD2 ASP A 51 3.850 -10.828 7.402 1.00 0.00 O ATOM 0 H ASP A 51 2.410 -9.563 3.269 1.00 0.00 H new ATOM 0 HA ASP A 51 3.829 -9.045 4.932 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.271 -11.580 5.097 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.913 -11.846 4.548 1.00 0.00 H new ATOM 793 N THR A 52 5.768 -8.353 3.188 1.00 0.00 N ATOM 794 CA THR A 52 7.059 -7.916 2.684 1.00 0.00 C ATOM 795 C THR A 52 7.497 -6.629 3.385 1.00 0.00 C ATOM 796 O THR A 52 8.646 -6.210 3.259 1.00 0.00 O ATOM 797 CB THR A 52 6.949 -7.775 1.164 1.00 0.00 C ATOM 798 OG1 THR A 52 8.301 -7.816 0.714 1.00 0.00 O ATOM 799 CG2 THR A 52 6.457 -6.390 0.740 1.00 0.00 C ATOM 0 H THR A 52 5.001 -7.704 3.015 1.00 0.00 H new ATOM 0 HA THR A 52 7.838 -8.647 2.901 1.00 0.00 H new ATOM 0 HB THR A 52 6.272 -8.536 0.776 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.856 -7.253 1.293 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.397 -6.342 -0.347 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.471 -6.208 1.167 1.00 0.00 H new ATOM 0 HG23 THR A 52 7.153 -5.631 1.098 1.00 0.00 H new ATOM 807 N GLU A 53 6.557 -6.036 4.106 1.00 0.00 N ATOM 808 CA GLU A 53 6.831 -4.805 4.827 1.00 0.00 C ATOM 809 C GLU A 53 7.688 -3.869 3.972 1.00 0.00 C ATOM 810 O GLU A 53 8.914 -3.970 3.974 1.00 0.00 O ATOM 811 CB GLU A 53 7.506 -5.094 6.169 1.00 0.00 C ATOM 812 CG GLU A 53 8.442 -6.300 6.064 1.00 0.00 C ATOM 813 CD GLU A 53 9.040 -6.651 7.428 1.00 0.00 C ATOM 814 OE1 GLU A 53 8.356 -7.254 8.268 1.00 0.00 O ATOM 815 OE2 GLU A 53 10.261 -6.275 7.601 1.00 0.00 O ATOM 0 H GLU A 53 5.604 -6.386 4.206 1.00 0.00 H new ATOM 0 HA GLU A 53 5.883 -4.309 5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.070 -4.219 6.492 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.747 -5.283 6.928 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.894 -7.157 5.672 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.243 -6.083 5.357 1.00 0.00 H new ATOM 823 N ILE A 54 7.009 -2.980 3.262 1.00 0.00 N ATOM 824 CA ILE A 54 7.694 -2.028 2.404 1.00 0.00 C ATOM 825 C ILE A 54 8.528 -1.079 3.267 1.00 0.00 C ATOM 826 O ILE A 54 8.078 -0.635 4.322 1.00 0.00 O ATOM 827 CB ILE A 54 6.694 -1.312 1.494 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.351 -0.896 0.177 1.00 0.00 C ATOM 829 CG2 ILE A 54 6.050 -0.125 2.214 1.00 0.00 C ATOM 830 CD1 ILE A 54 6.300 -0.479 -0.853 1.00 0.00 C ATOM 0 H ILE A 54 5.992 -2.899 3.263 1.00 0.00 H new ATOM 0 HA ILE A 54 8.385 -2.544 1.737 1.00 0.00 H new ATOM 0 HB ILE A 54 5.895 -2.011 1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.039 -0.069 0.355 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.942 -1.723 -0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.343 0.366 1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.524 -0.479 3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.823 0.584 2.510 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.794 -0.188 -1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.629 -1.316 -1.047 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.727 0.364 -0.467 1.00 0.00 H new ATOM 842 N PRO A 55 9.762 -0.790 2.774 1.00 0.00 N ATOM 843 CA PRO A 55 10.664 0.098 3.488 1.00 0.00 C ATOM 844 C PRO A 55 10.226 1.557 3.344 1.00 0.00 C ATOM 845 O PRO A 55 9.163 1.838 2.792 1.00 0.00 O ATOM 846 CB PRO A 55 12.036 -0.172 2.891 1.00 0.00 C ATOM 847 CG PRO A 55 11.783 -0.855 1.557 1.00 0.00 C ATOM 848 CD PRO A 55 10.329 -1.297 1.528 1.00 0.00 C ATOM 0 HA PRO A 55 10.669 -0.083 4.563 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.592 0.755 2.756 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.630 -0.807 3.548 1.00 0.00 H new ATOM 0 HG2 PRO A 55 11.991 -0.172 0.733 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.445 -1.712 1.435 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.809 -0.889 0.661 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.246 -2.382 1.468 1.00 0.00 H new ATOM 856 N ASP A 56 11.067 2.447 3.849 1.00 0.00 N ATOM 857 CA ASP A 56 10.780 3.870 3.784 1.00 0.00 C ATOM 858 C ASP A 56 11.407 4.454 2.516 1.00 0.00 C ATOM 859 O ASP A 56 11.044 5.549 2.088 1.00 0.00 O ATOM 860 CB ASP A 56 11.371 4.607 4.987 1.00 0.00 C ATOM 861 CG ASP A 56 10.408 5.557 5.701 1.00 0.00 C ATOM 862 OD1 ASP A 56 9.889 5.246 6.783 1.00 0.00 O ATOM 863 OD2 ASP A 56 10.193 6.674 5.092 1.00 0.00 O ATOM 0 H ASP A 56 11.948 2.210 4.305 1.00 0.00 H new ATOM 0 HA ASP A 56 9.697 3.996 3.781 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.729 3.870 5.705 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.239 5.176 4.655 1.00 0.00 H new ATOM 869 N GLU A 57 12.337 3.698 1.952 1.00 0.00 N ATOM 870 CA GLU A 57 13.017 4.128 0.742 1.00 0.00 C ATOM 871 C GLU A 57 12.136 3.873 -0.482 1.00 0.00 C ATOM 872 O GLU A 57 11.894 4.779 -1.277 1.00 0.00 O ATOM 873 CB GLU A 57 14.371 3.430 0.597 1.00 0.00 C ATOM 874 CG GLU A 57 15.500 4.305 1.147 1.00 0.00 C ATOM 875 CD GLU A 57 16.266 4.988 0.012 1.00 0.00 C ATOM 876 OE1 GLU A 57 17.192 4.392 -0.558 1.00 0.00 O ATOM 877 OE2 GLU A 57 15.868 6.182 -0.273 1.00 0.00 O ATOM 0 H GLU A 57 12.636 2.791 2.310 1.00 0.00 H new ATOM 0 HA GLU A 57 13.203 5.200 0.815 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.352 2.478 1.128 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.558 3.206 -0.453 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.087 5.059 1.817 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.184 3.695 1.737 1.00 0.00 H new ATOM 885 N GLU A 58 11.679 2.634 -0.595 1.00 0.00 N ATOM 886 CA GLU A 58 10.830 2.248 -1.709 1.00 0.00 C ATOM 887 C GLU A 58 9.596 3.150 -1.773 1.00 0.00 C ATOM 888 O GLU A 58 9.104 3.460 -2.857 1.00 0.00 O ATOM 889 CB GLU A 58 10.427 0.775 -1.607 1.00 0.00 C ATOM 890 CG GLU A 58 11.188 -0.073 -2.628 1.00 0.00 C ATOM 891 CD GLU A 58 11.111 -1.559 -2.273 1.00 0.00 C ATOM 892 OE1 GLU A 58 12.150 -2.228 -2.176 1.00 0.00 O ATOM 893 OE2 GLU A 58 9.918 -2.015 -2.093 1.00 0.00 O ATOM 0 H GLU A 58 11.881 1.885 0.067 1.00 0.00 H new ATOM 0 HA GLU A 58 11.396 2.373 -2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.629 0.408 -0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.354 0.675 -1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.772 0.089 -3.623 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.231 0.243 -2.663 1.00 0.00 H new ATOM 901 N ALA A 59 9.130 3.546 -0.597 1.00 0.00 N ATOM 902 CA ALA A 59 7.963 4.407 -0.506 1.00 0.00 C ATOM 903 C ALA A 59 8.148 5.610 -1.433 1.00 0.00 C ATOM 904 O ALA A 59 7.285 5.897 -2.262 1.00 0.00 O ATOM 905 CB ALA A 59 7.747 4.822 0.951 1.00 0.00 C ATOM 0 H ALA A 59 9.540 3.286 0.300 1.00 0.00 H new ATOM 0 HA ALA A 59 7.068 3.876 -0.830 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.872 5.468 1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.591 3.934 1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.624 5.361 1.310 1.00 0.00 H new ATOM 911 N GLU A 60 9.278 6.280 -1.262 1.00 0.00 N ATOM 912 CA GLU A 60 9.586 7.446 -2.073 1.00 0.00 C ATOM 913 C GLU A 60 9.760 7.041 -3.539 1.00 0.00 C ATOM 914 O GLU A 60 9.358 7.774 -4.441 1.00 0.00 O ATOM 915 CB GLU A 60 10.833 8.163 -1.551 1.00 0.00 C ATOM 916 CG GLU A 60 10.665 9.681 -1.629 1.00 0.00 C ATOM 917 CD GLU A 60 11.670 10.392 -0.721 1.00 0.00 C ATOM 918 OE1 GLU A 60 11.835 10.003 0.445 1.00 0.00 O ATOM 919 OE2 GLU A 60 12.293 11.381 -1.266 1.00 0.00 O ATOM 0 H GLU A 60 9.991 6.038 -0.574 1.00 0.00 H new ATOM 0 HA GLU A 60 8.751 8.143 -2.005 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.022 7.867 -0.519 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.702 7.859 -2.134 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.801 10.013 -2.658 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.651 9.953 -1.338 1.00 0.00 H new ATOM 927 N LYS A 61 10.360 5.875 -3.731 1.00 0.00 N ATOM 928 CA LYS A 61 10.592 5.365 -5.071 1.00 0.00 C ATOM 929 C LYS A 61 9.265 4.894 -5.669 1.00 0.00 C ATOM 930 O LYS A 61 9.207 4.515 -6.838 1.00 0.00 O ATOM 931 CB LYS A 61 11.676 4.285 -5.053 1.00 0.00 C ATOM 932 CG LYS A 61 12.807 4.627 -6.024 1.00 0.00 C ATOM 933 CD LYS A 61 12.633 3.886 -7.351 1.00 0.00 C ATOM 934 CE LYS A 61 13.682 4.334 -8.371 1.00 0.00 C ATOM 935 NZ LYS A 61 13.772 3.362 -9.484 1.00 0.00 N ATOM 0 H LYS A 61 10.692 5.269 -2.981 1.00 0.00 H new ATOM 0 HA LYS A 61 10.972 6.155 -5.719 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.076 4.183 -4.044 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.240 3.323 -5.321 1.00 0.00 H new ATOM 0 HG2 LYS A 61 12.825 5.702 -6.203 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.766 4.362 -5.579 1.00 0.00 H new ATOM 0 HD2 LYS A 61 12.717 2.812 -7.186 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.634 4.070 -7.746 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.422 5.318 -8.760 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.653 4.430 -7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.488 3.682 -10.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.042 2.430 -9.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.849 3.291 -9.958 1.00 0.00 H new ATOM 948 N ILE A 62 8.232 4.933 -4.841 1.00 0.00 N ATOM 949 CA ILE A 62 6.909 4.515 -5.274 1.00 0.00 C ATOM 950 C ILE A 62 5.947 5.701 -5.175 1.00 0.00 C ATOM 951 O ILE A 62 4.737 5.514 -5.050 1.00 0.00 O ATOM 952 CB ILE A 62 6.452 3.285 -4.488 1.00 0.00 C ATOM 953 CG1 ILE A 62 7.427 2.121 -4.677 1.00 0.00 C ATOM 954 CG2 ILE A 62 5.019 2.899 -4.859 1.00 0.00 C ATOM 955 CD1 ILE A 62 7.450 1.220 -3.440 1.00 0.00 C ATOM 0 H ILE A 62 8.284 5.248 -3.872 1.00 0.00 H new ATOM 0 HA ILE A 62 6.929 4.207 -6.319 1.00 0.00 H new ATOM 0 HB ILE A 62 6.453 3.537 -3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.138 1.538 -5.551 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.428 2.508 -4.869 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.719 2.022 -4.286 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.349 3.728 -4.632 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.967 2.672 -5.924 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.151 0.400 -3.600 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.763 1.801 -2.572 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.453 0.816 -3.266 1.00 0.00 H new ATOM 967 N THR A 63 6.520 6.894 -5.234 1.00 0.00 N ATOM 968 CA THR A 63 5.728 8.109 -5.153 1.00 0.00 C ATOM 969 C THR A 63 4.510 8.015 -6.074 1.00 0.00 C ATOM 970 O THR A 63 3.509 8.696 -5.857 1.00 0.00 O ATOM 971 CB THR A 63 6.644 9.292 -5.475 1.00 0.00 C ATOM 972 OG1 THR A 63 5.775 10.422 -5.446 1.00 0.00 O ATOM 973 CG2 THR A 63 7.162 9.257 -6.914 1.00 0.00 C ATOM 0 H THR A 63 7.523 7.045 -5.337 1.00 0.00 H new ATOM 0 HA THR A 63 5.326 8.253 -4.150 1.00 0.00 H new ATOM 0 HB THR A 63 7.488 9.295 -4.786 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.287 11.234 -5.643 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.807 10.118 -7.090 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.729 8.340 -7.074 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.319 9.288 -7.605 1.00 0.00 H new ATOM 981 N THR A 64 4.636 7.166 -7.083 1.00 0.00 N ATOM 982 CA THR A 64 3.558 6.973 -8.038 1.00 0.00 C ATOM 983 C THR A 64 2.702 5.768 -7.641 1.00 0.00 C ATOM 984 O THR A 64 3.122 4.945 -6.830 1.00 0.00 O ATOM 985 CB THR A 64 4.177 6.847 -9.431 1.00 0.00 C ATOM 986 OG1 THR A 64 5.261 5.940 -9.248 1.00 0.00 O ATOM 987 CG2 THR A 64 4.848 8.142 -9.893 1.00 0.00 C ATOM 0 H THR A 64 5.468 6.604 -7.260 1.00 0.00 H new ATOM 0 HA THR A 64 2.879 7.825 -8.045 1.00 0.00 H new ATOM 0 HB THR A 64 3.406 6.563 -10.147 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.513 5.553 -10.112 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.271 7.998 -10.887 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.109 8.943 -9.925 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.642 8.409 -9.196 1.00 0.00 H new ATOM 995 N VAL A 65 1.518 5.704 -8.232 1.00 0.00 N ATOM 996 CA VAL A 65 0.600 4.613 -7.950 1.00 0.00 C ATOM 997 C VAL A 65 1.002 3.388 -8.774 1.00 0.00 C ATOM 998 O VAL A 65 1.053 2.275 -8.253 1.00 0.00 O ATOM 999 CB VAL A 65 -0.840 5.061 -8.209 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -1.802 3.872 -8.157 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -1.261 6.151 -7.221 1.00 0.00 C ATOM 0 H VAL A 65 1.173 6.389 -8.904 1.00 0.00 H new ATOM 0 HA VAL A 65 0.654 4.330 -6.899 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.884 5.484 -9.213 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.819 4.218 -8.344 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.521 3.143 -8.917 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.753 3.407 -7.172 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.288 6.452 -7.427 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.193 5.766 -6.204 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.602 7.013 -7.328 1.00 0.00 H new ATOM 1011 N GLN A 66 1.278 3.635 -10.046 1.00 0.00 N ATOM 1012 CA GLN A 66 1.674 2.566 -10.947 1.00 0.00 C ATOM 1013 C GLN A 66 2.968 1.912 -10.459 1.00 0.00 C ATOM 1014 O GLN A 66 3.349 0.845 -10.938 1.00 0.00 O ATOM 1015 CB GLN A 66 1.828 3.084 -12.379 1.00 0.00 C ATOM 1016 CG GLN A 66 1.994 1.927 -13.366 1.00 0.00 C ATOM 1017 CD GLN A 66 0.695 1.669 -14.132 1.00 0.00 C ATOM 1018 OE1 GLN A 66 0.429 2.253 -15.169 1.00 0.00 O ATOM 1019 NE2 GLN A 66 -0.097 0.763 -13.565 1.00 0.00 N ATOM 0 H GLN A 66 1.235 4.560 -10.474 1.00 0.00 H new ATOM 0 HA GLN A 66 0.887 1.811 -10.951 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.954 3.676 -12.651 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.693 3.745 -12.439 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.795 2.156 -14.069 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.289 1.026 -12.829 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.186 0.311 -12.696 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.987 0.520 -14.000 1.00 0.00 H new ATOM 1028 N ALA A 67 3.609 2.580 -9.510 1.00 0.00 N ATOM 1029 CA ALA A 67 4.853 2.077 -8.952 1.00 0.00 C ATOM 1030 C ALA A 67 4.560 0.845 -8.093 1.00 0.00 C ATOM 1031 O ALA A 67 5.372 -0.076 -8.025 1.00 0.00 O ATOM 1032 CB ALA A 67 5.543 3.189 -8.160 1.00 0.00 C ATOM 0 H ALA A 67 3.290 3.464 -9.114 1.00 0.00 H new ATOM 0 HA ALA A 67 5.534 1.771 -9.746 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.476 2.812 -7.741 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.755 4.029 -8.821 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.890 3.519 -7.352 1.00 0.00 H new ATOM 1038 N ALA A 68 3.397 0.869 -7.458 1.00 0.00 N ATOM 1039 CA ALA A 68 2.987 -0.235 -6.606 1.00 0.00 C ATOM 1040 C ALA A 68 2.335 -1.321 -7.465 1.00 0.00 C ATOM 1041 O ALA A 68 1.787 -2.288 -6.938 1.00 0.00 O ATOM 1042 CB ALA A 68 2.050 0.284 -5.514 1.00 0.00 C ATOM 0 H ALA A 68 2.726 1.635 -7.516 1.00 0.00 H new ATOM 0 HA ALA A 68 3.851 -0.679 -6.111 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.742 -0.544 -4.875 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.569 1.032 -4.914 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.170 0.734 -5.973 1.00 0.00 H new ATOM 1048 N ILE A 69 2.417 -1.125 -8.773 1.00 0.00 N ATOM 1049 CA ILE A 69 1.842 -2.076 -9.709 1.00 0.00 C ATOM 1050 C ILE A 69 2.961 -2.702 -10.545 1.00 0.00 C ATOM 1051 O ILE A 69 2.783 -3.771 -11.126 1.00 0.00 O ATOM 1052 CB ILE A 69 0.749 -1.410 -10.546 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.549 -1.275 -9.746 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.534 -2.157 -11.863 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -0.897 0.196 -9.509 1.00 0.00 C ATOM 0 H ILE A 69 2.873 -0.322 -9.206 1.00 0.00 H new ATOM 0 HA ILE A 69 1.351 -2.888 -9.173 1.00 0.00 H new ATOM 0 HB ILE A 69 1.079 -0.402 -10.798 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.363 -1.763 -10.282 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.445 -1.787 -8.789 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.248 -1.662 -12.438 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.461 -2.158 -12.436 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.236 -3.184 -11.654 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.823 0.263 -8.939 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.092 0.675 -8.952 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.024 0.699 -10.468 1.00 0.00 H new ATOM 1067 N ASP A 70 4.089 -2.008 -10.579 1.00 0.00 N ATOM 1068 CA ASP A 70 5.236 -2.482 -11.334 1.00 0.00 C ATOM 1069 C ASP A 70 6.187 -3.227 -10.395 1.00 0.00 C ATOM 1070 O ASP A 70 6.744 -4.261 -10.762 1.00 0.00 O ATOM 1071 CB ASP A 70 6.006 -1.316 -11.958 1.00 0.00 C ATOM 1072 CG ASP A 70 6.171 -1.389 -13.477 1.00 0.00 C ATOM 1073 OD1 ASP A 70 5.575 -2.248 -14.144 1.00 0.00 O ATOM 1074 OD2 ASP A 70 6.963 -0.505 -13.983 1.00 0.00 O ATOM 0 H ASP A 70 4.233 -1.121 -10.096 1.00 0.00 H new ATOM 0 HA ASP A 70 4.871 -3.137 -12.125 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.494 -0.387 -11.708 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.995 -1.268 -11.502 1.00 0.00 H new ATOM 1080 N TYR A 71 6.344 -2.673 -9.202 1.00 0.00 N ATOM 1081 CA TYR A 71 7.218 -3.272 -8.208 1.00 0.00 C ATOM 1082 C TYR A 71 6.559 -4.493 -7.563 1.00 0.00 C ATOM 1083 O TYR A 71 7.207 -5.518 -7.360 1.00 0.00 O ATOM 1084 CB TYR A 71 7.435 -2.201 -7.137 1.00 0.00 C ATOM 1085 CG TYR A 71 8.871 -2.128 -6.613 1.00 0.00 C ATOM 1086 CD1 TYR A 71 9.830 -1.432 -7.320 1.00 0.00 C ATOM 1087 CD2 TYR A 71 9.207 -2.760 -5.432 1.00 0.00 C ATOM 1088 CE1 TYR A 71 11.181 -1.364 -6.826 1.00 0.00 C ATOM 1089 CE2 TYR A 71 10.557 -2.691 -4.938 1.00 0.00 C ATOM 1090 CZ TYR A 71 11.478 -1.997 -5.659 1.00 0.00 C ATOM 1091 OH TYR A 71 12.754 -1.933 -5.193 1.00 0.00 O ATOM 0 H TYR A 71 5.881 -1.816 -8.901 1.00 0.00 H new ATOM 0 HA TYR A 71 8.151 -3.601 -8.666 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.159 -1.230 -7.548 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.763 -2.396 -6.301 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.567 -0.938 -8.244 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.457 -3.306 -4.879 1.00 0.00 H new ATOM 0 HE1 TYR A 71 11.941 -0.823 -7.370 1.00 0.00 H new ATOM 0 HE2 TYR A 71 10.833 -3.180 -4.015 1.00 0.00 H new ATOM 0 HH TYR A 71 12.769 -2.183 -4.246 1.00 0.00 H new ATOM 1101 N ILE A 72 5.277 -4.343 -7.260 1.00 0.00 N ATOM 1102 CA ILE A 72 4.523 -5.421 -6.642 1.00 0.00 C ATOM 1103 C ILE A 72 4.360 -6.564 -7.647 1.00 0.00 C ATOM 1104 O ILE A 72 4.347 -7.733 -7.265 1.00 0.00 O ATOM 1105 CB ILE A 72 3.198 -4.897 -6.086 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.432 -3.749 -5.102 1.00 0.00 C ATOM 1107 CG2 ILE A 72 2.380 -6.029 -5.461 1.00 0.00 C ATOM 1108 CD1 ILE A 72 4.736 -3.947 -4.328 1.00 0.00 C ATOM 0 H ILE A 72 4.742 -3.492 -7.431 1.00 0.00 H new ATOM 0 HA ILE A 72 5.064 -5.823 -5.786 1.00 0.00 H new ATOM 0 HB ILE A 72 2.614 -4.497 -6.915 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.466 -2.803 -5.643 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.597 -3.687 -4.404 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.443 -5.630 -5.073 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.167 -6.785 -6.217 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.946 -6.480 -4.647 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.878 -3.117 -3.636 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.689 -4.882 -3.769 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.572 -3.984 -5.027 1.00 0.00 H new ATOM 1120 N ASN A 73 4.240 -6.185 -8.911 1.00 0.00 N ATOM 1121 CA ASN A 73 4.078 -7.164 -9.973 1.00 0.00 C ATOM 1122 C ASN A 73 5.152 -8.244 -9.833 1.00 0.00 C ATOM 1123 O ASN A 73 4.980 -9.362 -10.318 1.00 0.00 O ATOM 1124 CB ASN A 73 4.236 -6.515 -11.349 1.00 0.00 C ATOM 1125 CG ASN A 73 3.168 -7.020 -12.320 1.00 0.00 C ATOM 1126 OD1 ASN A 73 3.284 -8.077 -12.917 1.00 0.00 O ATOM 1127 ND2 ASN A 73 2.123 -6.207 -12.445 1.00 0.00 N ATOM 0 H ASN A 73 4.252 -5.214 -9.224 1.00 0.00 H new ATOM 0 HA ASN A 73 3.079 -7.591 -9.889 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.163 -5.432 -11.254 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.227 -6.734 -11.747 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.356 -6.455 -13.070 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.088 -5.336 -11.916 1.00 0.00 H new ATOM 1134 N GLY A 74 6.236 -7.873 -9.168 1.00 0.00 N ATOM 1135 CA GLY A 74 7.338 -8.797 -8.958 1.00 0.00 C ATOM 1136 C GLY A 74 6.823 -10.190 -8.590 1.00 0.00 C ATOM 1137 O GLY A 74 7.497 -11.189 -8.835 1.00 0.00 O ATOM 0 H GLY A 74 6.375 -6.945 -8.767 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.945 -8.857 -9.862 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.985 -8.423 -8.164 1.00 0.00 H new ATOM 1141 N HIS A 75 5.633 -10.212 -8.008 1.00 0.00 N ATOM 1142 CA HIS A 75 5.021 -11.465 -7.604 1.00 0.00 C ATOM 1143 C HIS A 75 4.873 -12.380 -8.822 1.00 0.00 C ATOM 1144 O HIS A 75 5.088 -13.588 -8.725 1.00 0.00 O ATOM 1145 CB HIS A 75 3.693 -11.215 -6.886 1.00 0.00 C ATOM 1146 CG HIS A 75 2.636 -12.256 -7.169 1.00 0.00 C ATOM 1147 ND1 HIS A 75 2.906 -13.613 -7.188 1.00 0.00 N ATOM 1148 CD2 HIS A 75 1.306 -12.124 -7.443 1.00 0.00 C ATOM 1149 CE1 HIS A 75 1.783 -14.259 -7.462 1.00 0.00 C ATOM 1150 NE2 HIS A 75 0.793 -13.335 -7.621 1.00 0.00 N ATOM 0 H HIS A 75 5.077 -9.381 -7.807 1.00 0.00 H new ATOM 0 HA HIS A 75 5.665 -11.973 -6.887 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.874 -11.178 -5.812 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.312 -10.237 -7.179 1.00 0.00 H new ATOM 0 HD1 HIS A 75 3.816 -14.043 -7.020 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.763 -11.192 -7.505 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.671 -15.330 -7.545 1.00 0.00 H new ATOM 1158 N GLN A 76 4.508 -11.770 -9.939 1.00 0.00 N ATOM 1159 CA GLN A 76 4.329 -12.515 -11.174 1.00 0.00 C ATOM 1160 C GLN A 76 5.397 -13.604 -11.297 1.00 0.00 C ATOM 1161 O GLN A 76 6.570 -13.361 -11.020 1.00 0.00 O ATOM 1162 CB GLN A 76 4.356 -11.581 -12.386 1.00 0.00 C ATOM 1163 CG GLN A 76 5.787 -11.156 -12.719 1.00 0.00 C ATOM 1164 CD GLN A 76 5.845 -9.674 -13.096 1.00 0.00 C ATOM 1165 OE1 GLN A 76 6.508 -8.919 -12.225 1.00 0.00 O flip ATOM 1166 NE2 GLN A 76 5.323 -9.245 -14.112 1.00 0.00 N flip ATOM 0 H GLN A 76 4.331 -10.768 -10.015 1.00 0.00 H new ATOM 0 HA GLN A 76 3.351 -12.995 -11.148 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.912 -12.083 -13.246 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.749 -10.699 -12.183 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.434 -11.343 -11.862 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.167 -11.760 -13.543 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.828 -9.880 -14.739 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.381 -8.251 -14.335 1.00 0.00 H new ATOM 1175 N ALA A 77 4.951 -14.780 -11.712 1.00 0.00 N ATOM 1176 CA ALA A 77 5.854 -15.907 -11.875 1.00 0.00 C ATOM 1177 C ALA A 77 6.013 -16.217 -13.365 1.00 0.00 C ATOM 1178 O ALA A 77 7.073 -16.663 -13.800 1.00 0.00 O ATOM 1179 CB ALA A 77 5.324 -17.104 -11.084 1.00 0.00 C ATOM 0 H ALA A 77 3.977 -14.977 -11.940 1.00 0.00 H new ATOM 0 HA ALA A 77 6.842 -15.667 -11.481 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.001 -17.949 -11.206 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.258 -16.842 -10.028 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.335 -17.375 -11.453 1.00 0.00 H new TER 1185 ALA A 77