USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 824 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 ASN : amide:sc= -0.0328 K(o=-0.26,f=-1) USER MOD Set 1.2: A 63 THR OG1 : rot 180:sc= -0.228 USER MOD Set 2.1: A 41 SER OG : rot 180:sc= 0.765 USER MOD Set 2.2: A 51 THR OG1 : rot -93:sc= 0.699 USER MOD Set 3.1: A 39 ASN : amide:sc= 1.28 K(o=2.6,f=-3!) USER MOD Set 3.2: A 53 THR OG1 : rot -54:sc= 1.32 USER MOD Set 4.1: A 26 THR OG1 : rot -62:sc= 0.356 USER MOD Set 4.2: A 64 ASN : amide:sc= 0.259 K(o=0.62,f=-3!) USER MOD Set 5.1: A 1 MET CE :methyl -117:sc= -0.568 (180deg=-0.556) USER MOD Set 5.2: A 32 ASN : amide:sc= -1.36 K(o=-1.9,f=-6.5!) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0152 (180deg=-0.176) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -2.75! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.517 K(o=-0.52,f=-1.9) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0251 USER MOD Single : A 21 ASN : amide:sc= -2.09! C(o=-2.1!,f=-7.4!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -149:sc= -0.0402 (180deg=-1.66) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.759 K(o=0.76,f=-7.5!) USER MOD Single : A 30 GLN :FLIP amide:sc= -0.914 F(o=-1.6,f=-0.91) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 124:sc= -0.229 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00958 USER MOD Single : A 37 SER OG : rot -9:sc= 1.24 USER MOD Single : A 52 GLN : amide:sc= -0.488 K(o=-0.49,f=-4.7!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -79:sc= 0.944 USER MOD Single : A 62 SER OG : rot -170:sc=-0.00564 USER MOD Single : A 68 HIS : no HD1:sc= 0.231 K(o=0.23,f=-2.1!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 74 THR OG1 : rot -32:sc= 0.857 USER MOD Single : A 76 ASN : amide:sc=-0.00105 K(o=-0.0011,f=-2.1!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.0512 USER MOD Single : A 78 TYR OH : rot -130:sc= -2.65! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.0248 K(o=-0.025,f=-1.2) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0.057) USER MOD Single : A 91 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -1.33 K(o=-1.3,f=-3.3!) USER MOD Single : A 98 ASN :FLIP amide:sc= -2.86! C(o=-4.7!,f=-2.9!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 112 HIS : no HD1:sc= -0.0357 X(o=-0.036,f=-0.0097) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= -0.0456 X(o=-0.046,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.560 14.212 -9.854 1.00 0.00 N ATOM 2 CA MET A 1 -13.222 14.391 -9.246 1.00 0.00 C ATOM 3 C MET A 1 -13.148 13.660 -7.913 1.00 0.00 C ATOM 4 O MET A 1 -13.519 14.204 -6.871 1.00 0.00 O ATOM 5 CB MET A 1 -12.924 15.877 -9.030 1.00 0.00 C ATOM 6 CG MET A 1 -12.863 16.686 -10.312 1.00 0.00 C ATOM 7 SD MET A 1 -12.561 18.441 -10.014 1.00 0.00 S ATOM 8 CE MET A 1 -10.931 18.386 -9.273 1.00 0.00 C ATOM 0 H1 MET A 1 -14.534 14.520 -10.847 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.830 13.209 -9.810 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.257 14.781 -9.333 1.00 0.00 H new ATOM 0 HA MET A 1 -12.480 13.976 -9.927 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.691 16.300 -8.381 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.973 15.974 -8.505 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.074 16.289 -10.950 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.801 16.570 -10.855 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.983 18.764 -8.252 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.571 17.357 -9.261 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.246 19.003 -9.854 1.00 0.00 H new ATOM 20 N ILE A 2 -12.694 12.421 -7.951 1.00 0.00 N ATOM 21 CA ILE A 2 -12.577 11.609 -6.750 1.00 0.00 C ATOM 22 C ILE A 2 -11.249 10.855 -6.782 1.00 0.00 C ATOM 23 O ILE A 2 -10.780 10.479 -7.857 1.00 0.00 O ATOM 24 CB ILE A 2 -13.769 10.616 -6.630 1.00 0.00 C ATOM 25 CG1 ILE A 2 -13.867 10.044 -5.214 1.00 0.00 C ATOM 26 CG2 ILE A 2 -13.647 9.486 -7.645 1.00 0.00 C ATOM 27 CD1 ILE A 2 -15.058 9.133 -5.007 1.00 0.00 C ATOM 0 H ILE A 2 -12.398 11.951 -8.806 1.00 0.00 H new ATOM 0 HA ILE A 2 -12.603 12.260 -5.876 1.00 0.00 H new ATOM 0 HB ILE A 2 -14.682 11.173 -6.842 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -12.955 9.491 -4.991 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -13.923 10.867 -4.502 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -14.493 8.808 -7.538 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -13.640 9.901 -8.653 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -12.720 8.940 -7.471 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -15.061 8.766 -3.981 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -15.977 9.687 -5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -14.994 8.289 -5.694 1.00 0.00 H new ATOM 39 N PRO A 3 -10.589 10.680 -5.628 1.00 0.00 N ATOM 40 CA PRO A 3 -9.356 9.904 -5.554 1.00 0.00 C ATOM 41 C PRO A 3 -9.614 8.422 -5.796 1.00 0.00 C ATOM 42 O PRO A 3 -10.733 7.936 -5.615 1.00 0.00 O ATOM 43 CB PRO A 3 -8.849 10.134 -4.122 1.00 0.00 C ATOM 44 CG PRO A 3 -9.663 11.262 -3.584 1.00 0.00 C ATOM 45 CD PRO A 3 -10.971 11.216 -4.317 1.00 0.00 C ATOM 0 HA PRO A 3 -8.636 10.210 -6.313 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.972 9.238 -3.514 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.787 10.380 -4.117 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.814 11.156 -2.510 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.160 12.216 -3.743 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.695 10.575 -3.813 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.423 12.204 -4.400 1.00 0.00 H new ATOM 53 N ASP A 4 -8.587 7.719 -6.235 1.00 0.00 N ATOM 54 CA ASP A 4 -8.677 6.283 -6.434 1.00 0.00 C ATOM 55 C ASP A 4 -7.320 5.660 -6.145 1.00 0.00 C ATOM 56 O ASP A 4 -6.541 5.366 -7.056 1.00 0.00 O ATOM 57 CB ASP A 4 -9.147 5.964 -7.857 1.00 0.00 C ATOM 58 CG ASP A 4 -9.513 4.504 -8.054 1.00 0.00 C ATOM 59 OD1 ASP A 4 -10.344 3.982 -7.283 1.00 0.00 O ATOM 60 OD2 ASP A 4 -9.007 3.885 -9.016 1.00 0.00 O ATOM 0 H ASP A 4 -7.677 8.120 -6.462 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.413 5.861 -5.750 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.012 6.584 -8.094 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.360 6.232 -8.561 1.00 0.00 H new ATOM 65 N LEU A 5 -7.021 5.543 -4.859 1.00 0.00 N ATOM 66 CA LEU A 5 -5.739 5.032 -4.394 1.00 0.00 C ATOM 67 C LEU A 5 -5.641 3.525 -4.618 1.00 0.00 C ATOM 68 O LEU A 5 -6.227 2.735 -3.880 1.00 0.00 O ATOM 69 CB LEU A 5 -5.555 5.349 -2.904 1.00 0.00 C ATOM 70 CG LEU A 5 -5.867 6.793 -2.488 1.00 0.00 C ATOM 71 CD1 LEU A 5 -5.731 6.961 -0.982 1.00 0.00 C ATOM 72 CD2 LEU A 5 -4.969 7.779 -3.212 1.00 0.00 C ATOM 0 H LEU A 5 -7.661 5.800 -4.108 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.950 5.519 -4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.192 4.678 -2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.524 5.125 -2.628 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.899 7.004 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -5.957 7.992 -0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.427 6.291 -0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.712 6.720 -0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.214 8.793 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.927 7.566 -2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.120 7.687 -4.288 1.00 0.00 H new ATOM 84 N VAL A 6 -4.892 3.140 -5.639 1.00 0.00 N ATOM 85 CA VAL A 6 -4.754 1.740 -6.009 1.00 0.00 C ATOM 86 C VAL A 6 -3.322 1.262 -5.805 1.00 0.00 C ATOM 87 O VAL A 6 -2.391 1.812 -6.393 1.00 0.00 O ATOM 88 CB VAL A 6 -5.129 1.508 -7.491 1.00 0.00 C ATOM 89 CG1 VAL A 6 -5.139 0.022 -7.822 1.00 0.00 C ATOM 90 CG2 VAL A 6 -6.467 2.145 -7.819 1.00 0.00 C ATOM 0 H VAL A 6 -4.366 3.783 -6.231 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.433 1.178 -5.367 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.369 1.986 -8.109 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.406 -0.116 -8.870 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.149 -0.398 -7.641 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.869 -0.486 -7.192 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.707 1.967 -8.867 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.242 1.708 -7.190 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.414 3.218 -7.636 1.00 0.00 H new ATOM 100 N PRO A 7 -3.117 0.238 -4.969 1.00 0.00 N ATOM 101 CA PRO A 7 -1.827 -0.416 -4.844 1.00 0.00 C ATOM 102 C PRO A 7 -1.621 -1.382 -6.002 1.00 0.00 C ATOM 103 O PRO A 7 -2.275 -2.420 -6.077 1.00 0.00 O ATOM 104 CB PRO A 7 -1.909 -1.171 -3.511 1.00 0.00 C ATOM 105 CG PRO A 7 -3.285 -0.932 -2.969 1.00 0.00 C ATOM 106 CD PRO A 7 -4.116 -0.366 -4.087 1.00 0.00 C ATOM 0 HA PRO A 7 -0.992 0.284 -4.867 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.730 -2.236 -3.657 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.151 -0.812 -2.815 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.719 -1.861 -2.600 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.251 -0.240 -2.127 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.688 -1.141 -4.597 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.832 0.371 -3.724 1.00 0.00 H new ATOM 114 N VAL A 8 -0.739 -1.026 -6.918 1.00 0.00 N ATOM 115 CA VAL A 8 -0.589 -1.784 -8.152 1.00 0.00 C ATOM 116 C VAL A 8 0.509 -2.836 -8.053 1.00 0.00 C ATOM 117 O VAL A 8 0.454 -3.856 -8.740 1.00 0.00 O ATOM 118 CB VAL A 8 -0.308 -0.863 -9.360 1.00 0.00 C ATOM 119 CG1 VAL A 8 -1.494 0.054 -9.615 1.00 0.00 C ATOM 120 CG2 VAL A 8 0.964 -0.054 -9.148 1.00 0.00 C ATOM 0 H VAL A 8 -0.118 -0.222 -6.834 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.541 -2.292 -8.307 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.161 -1.491 -10.239 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.280 0.696 -10.469 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.379 -0.546 -9.825 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.674 0.670 -8.734 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.137 0.585 -10.014 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.858 0.564 -8.256 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.809 -0.731 -9.022 1.00 0.00 H new ATOM 130 N SER A 9 1.498 -2.600 -7.204 1.00 0.00 N ATOM 131 CA SER A 9 2.632 -3.506 -7.112 1.00 0.00 C ATOM 132 C SER A 9 3.179 -3.589 -5.691 1.00 0.00 C ATOM 133 O SER A 9 3.166 -2.605 -4.947 1.00 0.00 O ATOM 134 CB SER A 9 3.738 -3.056 -8.066 1.00 0.00 C ATOM 135 OG SER A 9 3.289 -3.065 -9.413 1.00 0.00 O ATOM 0 H SER A 9 1.539 -1.798 -6.575 1.00 0.00 H new ATOM 0 HA SER A 9 2.283 -4.500 -7.393 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.068 -2.053 -7.797 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.601 -3.714 -7.963 1.00 0.00 H new ATOM 0 HG SER A 9 4.015 -2.772 -10.002 1.00 0.00 H new ATOM 141 N LEU A 10 3.639 -4.779 -5.330 1.00 0.00 N ATOM 142 CA LEU A 10 4.311 -5.009 -4.059 1.00 0.00 C ATOM 143 C LEU A 10 5.615 -5.761 -4.304 1.00 0.00 C ATOM 144 O LEU A 10 5.607 -6.930 -4.696 1.00 0.00 O ATOM 145 CB LEU A 10 3.403 -5.801 -3.110 1.00 0.00 C ATOM 146 CG LEU A 10 4.059 -6.278 -1.807 1.00 0.00 C ATOM 147 CD1 LEU A 10 4.550 -5.105 -0.974 1.00 0.00 C ATOM 148 CD2 LEU A 10 3.085 -7.120 -1.003 1.00 0.00 C ATOM 0 H LEU A 10 3.557 -5.613 -5.911 1.00 0.00 H new ATOM 0 HA LEU A 10 4.535 -4.050 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.543 -5.181 -2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.022 -6.672 -3.643 1.00 0.00 H new ATOM 0 HG LEU A 10 4.922 -6.889 -2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.009 -5.476 -0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.285 -4.536 -1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.708 -4.460 -0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.565 -7.451 -0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.204 -6.525 -0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.786 -7.989 -1.589 1.00 0.00 H new ATOM 160 N THR A 11 6.729 -5.079 -4.098 1.00 0.00 N ATOM 161 CA THR A 11 8.035 -5.660 -4.354 1.00 0.00 C ATOM 162 C THR A 11 8.938 -5.484 -3.126 1.00 0.00 C ATOM 163 O THR A 11 8.782 -4.521 -2.373 1.00 0.00 O ATOM 164 CB THR A 11 8.676 -5.016 -5.612 1.00 0.00 C ATOM 165 OG1 THR A 11 9.758 -5.817 -6.102 1.00 0.00 O ATOM 166 CG2 THR A 11 9.181 -3.611 -5.321 1.00 0.00 C ATOM 0 H THR A 11 6.754 -4.119 -3.753 1.00 0.00 H new ATOM 0 HA THR A 11 7.918 -6.727 -4.544 1.00 0.00 H new ATOM 0 HB THR A 11 7.898 -4.958 -6.373 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.146 -5.393 -6.896 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.624 -3.189 -6.223 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.349 -2.985 -4.998 1.00 0.00 H new ATOM 0 HG23 THR A 11 9.932 -3.651 -4.532 1.00 0.00 H new ATOM 174 N PRO A 12 9.879 -6.410 -2.886 1.00 0.00 N ATOM 175 CA PRO A 12 10.115 -7.563 -3.755 1.00 0.00 C ATOM 176 C PRO A 12 9.084 -8.668 -3.558 1.00 0.00 C ATOM 177 O PRO A 12 8.484 -8.793 -2.493 1.00 0.00 O ATOM 178 CB PRO A 12 11.500 -8.042 -3.325 1.00 0.00 C ATOM 179 CG PRO A 12 11.591 -7.669 -1.886 1.00 0.00 C ATOM 180 CD PRO A 12 10.788 -6.406 -1.725 1.00 0.00 C ATOM 0 HA PRO A 12 10.042 -7.300 -4.810 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.609 -9.118 -3.464 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.285 -7.563 -3.910 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.197 -8.464 -1.253 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.628 -7.511 -1.590 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.235 -6.402 -0.786 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.428 -5.524 -1.722 1.00 0.00 H new ATOM 188 N VAL A 13 8.884 -9.464 -4.596 1.00 0.00 N ATOM 189 CA VAL A 13 7.955 -10.585 -4.532 1.00 0.00 C ATOM 190 C VAL A 13 8.585 -11.782 -3.825 1.00 0.00 C ATOM 191 O VAL A 13 7.924 -12.787 -3.578 1.00 0.00 O ATOM 192 CB VAL A 13 7.477 -11.013 -5.937 1.00 0.00 C ATOM 193 CG1 VAL A 13 6.679 -9.898 -6.592 1.00 0.00 C ATOM 194 CG2 VAL A 13 8.657 -11.416 -6.814 1.00 0.00 C ATOM 0 H VAL A 13 9.353 -9.356 -5.495 1.00 0.00 H new ATOM 0 HA VAL A 13 7.092 -10.244 -3.960 1.00 0.00 H new ATOM 0 HB VAL A 13 6.828 -11.881 -5.825 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.351 -10.218 -7.581 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.809 -9.665 -5.979 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.304 -9.010 -6.687 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.294 -11.713 -7.798 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.338 -10.571 -6.918 1.00 0.00 H new ATOM 0 HG23 VAL A 13 9.184 -12.252 -6.354 1.00 0.00 H new ATOM 204 N THR A 14 9.869 -11.673 -3.518 1.00 0.00 N ATOM 205 CA THR A 14 10.582 -12.712 -2.818 1.00 0.00 C ATOM 206 C THR A 14 11.351 -12.124 -1.636 1.00 0.00 C ATOM 207 O THR A 14 12.141 -11.194 -1.804 1.00 0.00 O ATOM 208 CB THR A 14 11.546 -13.415 -3.774 1.00 0.00 C ATOM 209 OG1 THR A 14 12.111 -12.463 -4.688 1.00 0.00 O ATOM 210 CG2 THR A 14 10.844 -14.519 -4.551 1.00 0.00 C ATOM 0 H THR A 14 10.439 -10.860 -3.750 1.00 0.00 H new ATOM 0 HA THR A 14 9.863 -13.438 -2.439 1.00 0.00 H new ATOM 0 HB THR A 14 12.340 -13.867 -3.180 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.729 -12.920 -5.296 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.555 -15.000 -5.222 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.445 -15.257 -3.855 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.028 -14.092 -5.133 1.00 0.00 H new ATOM 218 N VAL A 15 11.118 -12.666 -0.447 1.00 0.00 N ATOM 219 CA VAL A 15 11.669 -12.095 0.774 1.00 0.00 C ATOM 220 C VAL A 15 12.553 -13.089 1.526 1.00 0.00 C ATOM 221 O VAL A 15 12.436 -14.302 1.353 1.00 0.00 O ATOM 222 CB VAL A 15 10.541 -11.615 1.711 1.00 0.00 C ATOM 223 CG1 VAL A 15 9.788 -10.450 1.090 1.00 0.00 C ATOM 224 CG2 VAL A 15 9.584 -12.755 2.031 1.00 0.00 C ATOM 0 H VAL A 15 10.550 -13.501 -0.303 1.00 0.00 H new ATOM 0 HA VAL A 15 12.284 -11.247 0.472 1.00 0.00 H new ATOM 0 HB VAL A 15 10.995 -11.276 2.642 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.997 -10.126 1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.477 -9.623 0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.350 -10.764 0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.797 -12.394 2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.140 -13.127 1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.129 -13.561 2.522 1.00 0.00 H new ATOM 234 N VAL A 16 13.438 -12.562 2.365 1.00 0.00 N ATOM 235 CA VAL A 16 14.313 -13.391 3.184 1.00 0.00 C ATOM 236 C VAL A 16 13.549 -13.894 4.410 1.00 0.00 C ATOM 237 O VAL A 16 13.069 -13.089 5.209 1.00 0.00 O ATOM 238 CB VAL A 16 15.563 -12.608 3.644 1.00 0.00 C ATOM 239 CG1 VAL A 16 16.520 -13.515 4.406 1.00 0.00 C ATOM 240 CG2 VAL A 16 16.262 -11.970 2.453 1.00 0.00 C ATOM 0 H VAL A 16 13.568 -11.559 2.496 1.00 0.00 H new ATOM 0 HA VAL A 16 14.642 -14.235 2.577 1.00 0.00 H new ATOM 0 HB VAL A 16 15.239 -11.815 4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 16 17.392 -12.942 4.720 1.00 0.00 H new ATOM 0 HG12 VAL A 16 16.017 -13.919 5.284 1.00 0.00 H new ATOM 0 HG13 VAL A 16 16.837 -14.334 3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.140 -11.423 2.797 1.00 0.00 H new ATOM 0 HG22 VAL A 16 16.570 -12.747 1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 16 15.578 -11.283 1.955 1.00 0.00 H new ATOM 250 N PRO A 17 13.433 -15.225 4.579 1.00 0.00 N ATOM 251 CA PRO A 17 12.606 -15.834 5.632 1.00 0.00 C ATOM 252 C PRO A 17 13.225 -15.758 7.030 1.00 0.00 C ATOM 253 O PRO A 17 13.458 -16.788 7.659 1.00 0.00 O ATOM 254 CB PRO A 17 12.485 -17.307 5.204 1.00 0.00 C ATOM 255 CG PRO A 17 13.130 -17.404 3.861 1.00 0.00 C ATOM 256 CD PRO A 17 14.084 -16.253 3.760 1.00 0.00 C ATOM 0 HA PRO A 17 11.656 -15.306 5.718 1.00 0.00 H new ATOM 0 HB2 PRO A 17 12.979 -17.963 5.921 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.440 -17.614 5.157 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.655 -18.353 3.751 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.383 -17.359 3.068 1.00 0.00 H new ATOM 0 HD2 PRO A 17 15.072 -16.510 4.142 1.00 0.00 H new ATOM 0 HD3 PRO A 17 14.217 -15.926 2.729 1.00 0.00 H new ATOM 264 N ASN A 18 13.490 -14.544 7.510 1.00 0.00 N ATOM 265 CA ASN A 18 13.967 -14.339 8.881 1.00 0.00 C ATOM 266 C ASN A 18 14.123 -12.856 9.203 1.00 0.00 C ATOM 267 O ASN A 18 13.504 -12.347 10.137 1.00 0.00 O ATOM 268 CB ASN A 18 15.291 -15.083 9.163 1.00 0.00 C ATOM 269 CG ASN A 18 16.350 -14.895 8.089 1.00 0.00 C ATOM 270 OD1 ASN A 18 17.072 -13.900 8.075 1.00 0.00 O ATOM 271 ND2 ASN A 18 16.476 -15.874 7.206 1.00 0.00 N ATOM 0 H ASN A 18 13.383 -13.685 6.971 1.00 0.00 H new ATOM 0 HA ASN A 18 13.203 -14.762 9.534 1.00 0.00 H new ATOM 0 HB2 ASN A 18 15.692 -14.740 10.117 1.00 0.00 H new ATOM 0 HB3 ASN A 18 15.082 -16.147 9.269 1.00 0.00 H new ATOM 0 HD21 ASN A 18 17.192 -15.818 6.481 1.00 0.00 H new ATOM 0 HD22 ASN A 18 15.857 -16.684 7.251 1.00 0.00 H new ATOM 278 N THR A 19 14.921 -12.168 8.406 1.00 0.00 N ATOM 279 CA THR A 19 15.284 -10.784 8.682 1.00 0.00 C ATOM 280 C THR A 19 14.175 -9.821 8.248 1.00 0.00 C ATOM 281 O THR A 19 13.141 -10.241 7.718 1.00 0.00 O ATOM 282 CB THR A 19 16.614 -10.418 7.974 1.00 0.00 C ATOM 283 OG1 THR A 19 17.087 -9.136 8.412 1.00 0.00 O ATOM 284 CG2 THR A 19 16.447 -10.407 6.462 1.00 0.00 C ATOM 0 H THR A 19 15.335 -12.547 7.554 1.00 0.00 H new ATOM 0 HA THR A 19 15.418 -10.686 9.759 1.00 0.00 H new ATOM 0 HB THR A 19 17.346 -11.181 8.240 1.00 0.00 H new ATOM 0 HG1 THR A 19 17.928 -8.924 7.955 1.00 0.00 H new ATOM 0 HG21 THR A 19 17.396 -10.147 5.993 1.00 0.00 H new ATOM 0 HG22 THR A 19 16.133 -11.394 6.123 1.00 0.00 H new ATOM 0 HG23 THR A 19 15.692 -9.672 6.185 1.00 0.00 H new ATOM 292 N VAL A 20 14.391 -8.534 8.488 1.00 0.00 N ATOM 293 CA VAL A 20 13.435 -7.513 8.096 1.00 0.00 C ATOM 294 C VAL A 20 13.598 -7.183 6.619 1.00 0.00 C ATOM 295 O VAL A 20 14.687 -6.833 6.165 1.00 0.00 O ATOM 296 CB VAL A 20 13.599 -6.222 8.923 1.00 0.00 C ATOM 297 CG1 VAL A 20 12.529 -5.203 8.556 1.00 0.00 C ATOM 298 CG2 VAL A 20 13.553 -6.530 10.410 1.00 0.00 C ATOM 0 H VAL A 20 15.224 -8.174 8.954 1.00 0.00 H new ATOM 0 HA VAL A 20 12.439 -7.914 8.284 1.00 0.00 H new ATOM 0 HB VAL A 20 14.573 -5.792 8.689 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.666 -4.301 9.153 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.611 -4.954 7.498 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.543 -5.623 8.754 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.670 -5.606 10.977 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.595 -6.988 10.657 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.360 -7.217 10.664 1.00 0.00 H new ATOM 308 N ASN A 21 12.515 -7.307 5.876 1.00 0.00 N ATOM 309 CA ASN A 21 12.536 -7.038 4.450 1.00 0.00 C ATOM 310 C ASN A 21 11.924 -5.680 4.165 1.00 0.00 C ATOM 311 O ASN A 21 10.886 -5.323 4.729 1.00 0.00 O ATOM 312 CB ASN A 21 11.783 -8.128 3.683 1.00 0.00 C ATOM 313 CG ASN A 21 12.486 -9.472 3.739 1.00 0.00 C ATOM 314 OD1 ASN A 21 13.298 -9.800 2.873 1.00 0.00 O ATOM 315 ND2 ASN A 21 12.183 -10.258 4.760 1.00 0.00 N ATOM 0 H ASN A 21 11.605 -7.594 6.238 1.00 0.00 H new ATOM 0 HA ASN A 21 13.573 -7.036 4.115 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.779 -8.230 4.095 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.671 -7.824 2.642 1.00 0.00 H new ATOM 0 HD21 ASN A 21 12.628 -11.172 4.850 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.505 -9.950 5.457 1.00 0.00 H new ATOM 322 N THR A 22 12.583 -4.914 3.313 1.00 0.00 N ATOM 323 CA THR A 22 12.084 -3.612 2.921 1.00 0.00 C ATOM 324 C THR A 22 11.058 -3.763 1.803 1.00 0.00 C ATOM 325 O THR A 22 11.413 -3.919 0.633 1.00 0.00 O ATOM 326 CB THR A 22 13.237 -2.700 2.464 1.00 0.00 C ATOM 327 OG1 THR A 22 14.279 -2.725 3.451 1.00 0.00 O ATOM 328 CG2 THR A 22 12.756 -1.271 2.264 1.00 0.00 C ATOM 0 H THR A 22 13.469 -5.175 2.879 1.00 0.00 H new ATOM 0 HA THR A 22 11.605 -3.151 3.785 1.00 0.00 H new ATOM 0 HB THR A 22 13.616 -3.068 1.511 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.016 -2.147 3.163 1.00 0.00 H new ATOM 0 HG21 THR A 22 13.590 -0.648 1.941 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.975 -1.253 1.504 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.358 -0.886 3.203 1.00 0.00 H new ATOM 336 N MET A 23 9.789 -3.751 2.177 1.00 0.00 N ATOM 337 CA MET A 23 8.714 -3.964 1.221 1.00 0.00 C ATOM 338 C MET A 23 8.240 -2.636 0.658 1.00 0.00 C ATOM 339 O MET A 23 8.010 -1.682 1.399 1.00 0.00 O ATOM 340 CB MET A 23 7.546 -4.709 1.875 1.00 0.00 C ATOM 341 CG MET A 23 7.944 -6.037 2.501 1.00 0.00 C ATOM 342 SD MET A 23 8.685 -7.174 1.316 1.00 0.00 S ATOM 343 CE MET A 23 7.305 -7.468 0.214 1.00 0.00 C ATOM 0 H MET A 23 9.478 -3.596 3.136 1.00 0.00 H new ATOM 0 HA MET A 23 9.098 -4.576 0.405 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.105 -4.073 2.642 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.774 -4.887 1.126 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.649 -5.854 3.312 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.064 -6.503 2.943 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.375 -8.476 -0.196 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.371 -7.364 0.765 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.328 -6.743 -0.600 1.00 0.00 H new ATOM 353 N THR A 24 8.112 -2.577 -0.652 1.00 0.00 N ATOM 354 CA THR A 24 7.708 -1.360 -1.323 1.00 0.00 C ATOM 355 C THR A 24 6.367 -1.553 -2.026 1.00 0.00 C ATOM 356 O THR A 24 6.241 -2.388 -2.926 1.00 0.00 O ATOM 357 CB THR A 24 8.776 -0.932 -2.346 1.00 0.00 C ATOM 358 OG1 THR A 24 10.072 -1.001 -1.734 1.00 0.00 O ATOM 359 CG2 THR A 24 8.522 0.482 -2.842 1.00 0.00 C ATOM 0 H THR A 24 8.284 -3.365 -1.277 1.00 0.00 H new ATOM 0 HA THR A 24 7.601 -0.577 -0.572 1.00 0.00 H new ATOM 0 HB THR A 24 8.729 -1.607 -3.200 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.755 -0.731 -2.383 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.291 0.758 -3.563 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.543 0.530 -3.319 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.549 1.173 -2.000 1.00 0.00 H new ATOM 367 N ALA A 25 5.367 -0.798 -1.592 1.00 0.00 N ATOM 368 CA ALA A 25 4.046 -0.855 -2.196 1.00 0.00 C ATOM 369 C ALA A 25 3.805 0.378 -3.053 1.00 0.00 C ATOM 370 O ALA A 25 3.837 1.503 -2.560 1.00 0.00 O ATOM 371 CB ALA A 25 2.973 -0.977 -1.125 1.00 0.00 C ATOM 0 H ALA A 25 5.448 -0.136 -0.820 1.00 0.00 H new ATOM 0 HA ALA A 25 3.995 -1.738 -2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.991 -1.018 -1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.137 -1.887 -0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.021 -0.113 -0.462 1.00 0.00 H new ATOM 377 N THR A 26 3.577 0.163 -4.333 1.00 0.00 N ATOM 378 CA THR A 26 3.358 1.256 -5.264 1.00 0.00 C ATOM 379 C THR A 26 1.888 1.666 -5.271 1.00 0.00 C ATOM 380 O THR A 26 1.024 0.911 -5.729 1.00 0.00 O ATOM 381 CB THR A 26 3.795 0.853 -6.685 1.00 0.00 C ATOM 382 OG1 THR A 26 5.104 0.274 -6.637 1.00 0.00 O ATOM 383 CG2 THR A 26 3.809 2.056 -7.614 1.00 0.00 C ATOM 0 H THR A 26 3.538 -0.764 -4.756 1.00 0.00 H new ATOM 0 HA THR A 26 3.960 2.105 -4.938 1.00 0.00 H new ATOM 0 HB THR A 26 3.079 0.127 -7.071 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.744 0.939 -6.308 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.121 1.743 -8.610 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.809 2.487 -7.666 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.507 2.802 -7.233 1.00 0.00 H new ATOM 391 N ILE A 27 1.609 2.849 -4.739 1.00 0.00 N ATOM 392 CA ILE A 27 0.246 3.347 -4.666 1.00 0.00 C ATOM 393 C ILE A 27 0.003 4.378 -5.761 1.00 0.00 C ATOM 394 O ILE A 27 0.625 5.444 -5.777 1.00 0.00 O ATOM 395 CB ILE A 27 -0.063 3.985 -3.292 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.412 3.079 -2.150 1.00 0.00 C ATOM 397 CG2 ILE A 27 -1.554 4.268 -3.158 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.216 1.701 -2.143 1.00 0.00 C ATOM 0 H ILE A 27 2.311 3.480 -4.352 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.416 2.492 -4.803 1.00 0.00 H new ATOM 0 HB ILE A 27 0.478 4.929 -3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.495 2.971 -2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.196 3.568 -1.200 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.753 4.717 -2.185 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.866 4.954 -3.945 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.111 3.335 -3.248 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.176 1.127 -1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.298 1.795 -2.046 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.021 1.188 -3.075 1.00 0.00 H new ATOM 410 N GLU A 28 -0.894 4.047 -6.673 1.00 0.00 N ATOM 411 CA GLU A 28 -1.235 4.922 -7.781 1.00 0.00 C ATOM 412 C GLU A 28 -2.569 5.602 -7.518 1.00 0.00 C ATOM 413 O GLU A 28 -3.532 4.947 -7.128 1.00 0.00 O ATOM 414 CB GLU A 28 -1.345 4.114 -9.074 1.00 0.00 C ATOM 415 CG GLU A 28 -0.110 3.302 -9.417 1.00 0.00 C ATOM 416 CD GLU A 28 1.072 4.161 -9.794 1.00 0.00 C ATOM 417 OE1 GLU A 28 1.096 4.685 -10.928 1.00 0.00 O ATOM 418 OE2 GLU A 28 1.990 4.307 -8.971 1.00 0.00 O ATOM 0 H GLU A 28 -1.406 3.165 -6.667 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.451 5.672 -7.880 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.197 3.439 -8.994 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.555 4.797 -9.897 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.158 2.679 -8.563 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.342 2.629 -10.243 1.00 0.00 H new ATOM 425 N ASN A 29 -2.635 6.906 -7.722 1.00 0.00 N ATOM 426 CA ASN A 29 -3.908 7.608 -7.634 1.00 0.00 C ATOM 427 C ASN A 29 -4.567 7.631 -9.008 1.00 0.00 C ATOM 428 O ASN A 29 -4.190 8.416 -9.877 1.00 0.00 O ATOM 429 CB ASN A 29 -3.720 9.034 -7.106 1.00 0.00 C ATOM 430 CG ASN A 29 -5.037 9.728 -6.782 1.00 0.00 C ATOM 431 OD1 ASN A 29 -6.078 9.437 -7.371 1.00 0.00 O ATOM 432 ND2 ASN A 29 -4.997 10.659 -5.843 1.00 0.00 N ATOM 0 H ASN A 29 -1.834 7.496 -7.947 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.551 7.079 -6.930 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.101 9.005 -6.209 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.179 9.622 -7.848 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.847 11.161 -5.587 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.116 10.874 -5.375 1.00 0.00 H new ATOM 439 N GLN A 30 -5.540 6.757 -9.205 1.00 0.00 N ATOM 440 CA GLN A 30 -6.207 6.627 -10.494 1.00 0.00 C ATOM 441 C GLN A 30 -7.463 7.493 -10.555 1.00 0.00 C ATOM 442 O GLN A 30 -8.432 7.149 -11.234 1.00 0.00 O ATOM 443 CB GLN A 30 -6.576 5.163 -10.754 1.00 0.00 C ATOM 444 CG GLN A 30 -5.383 4.221 -10.828 1.00 0.00 C ATOM 445 CD GLN A 30 -4.388 4.614 -11.904 1.00 0.00 C ATOM 446 OE1 GLN A 30 -3.136 4.240 -11.713 1.00 0.00 O flip ATOM 447 NE2 GLN A 30 -4.743 5.229 -12.906 1.00 0.00 N flip ATOM 0 H GLN A 30 -5.888 6.123 -8.486 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.516 6.969 -11.264 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.244 4.823 -9.963 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.132 5.101 -11.690 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.879 4.205 -9.862 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.737 3.208 -11.020 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.720 5.501 -13.018 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.061 5.468 -13.626 1.00 0.00 H new ATOM 456 N GLY A 31 -7.428 8.635 -9.886 1.00 0.00 N ATOM 457 CA GLY A 31 -8.581 9.508 -9.851 1.00 0.00 C ATOM 458 C GLY A 31 -8.187 10.969 -9.859 1.00 0.00 C ATOM 459 O GLY A 31 -7.022 11.308 -9.639 1.00 0.00 O ATOM 0 H GLY A 31 -6.619 8.973 -9.365 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.219 9.300 -10.710 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.169 9.296 -8.958 1.00 0.00 H new ATOM 463 N ASN A 32 -9.158 11.837 -10.099 1.00 0.00 N ATOM 464 CA ASN A 32 -8.890 13.258 -10.266 1.00 0.00 C ATOM 465 C ASN A 32 -9.139 14.019 -8.968 1.00 0.00 C ATOM 466 O ASN A 32 -9.920 14.966 -8.920 1.00 0.00 O ATOM 467 CB ASN A 32 -9.751 13.826 -11.400 1.00 0.00 C ATOM 468 CG ASN A 32 -9.342 15.231 -11.806 1.00 0.00 C ATOM 469 OD1 ASN A 32 -9.900 16.219 -11.339 1.00 0.00 O ATOM 470 ND2 ASN A 32 -8.360 15.325 -12.680 1.00 0.00 N ATOM 0 H ASN A 32 -10.142 11.581 -10.183 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.839 13.381 -10.527 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.682 13.168 -12.266 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.795 13.833 -11.088 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.040 16.242 -12.990 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.920 14.480 -13.046 1.00 0.00 H new ATOM 477 N LYS A 33 -8.499 13.575 -7.902 1.00 0.00 N ATOM 478 CA LYS A 33 -8.527 14.301 -6.646 1.00 0.00 C ATOM 479 C LYS A 33 -7.383 13.847 -5.754 1.00 0.00 C ATOM 480 O LYS A 33 -6.998 12.677 -5.772 1.00 0.00 O ATOM 481 CB LYS A 33 -9.873 14.127 -5.945 1.00 0.00 C ATOM 482 CG LYS A 33 -10.043 15.018 -4.729 1.00 0.00 C ATOM 483 CD LYS A 33 -11.504 15.162 -4.354 1.00 0.00 C ATOM 484 CE LYS A 33 -11.680 16.100 -3.169 1.00 0.00 C ATOM 485 NZ LYS A 33 -13.106 16.452 -2.949 1.00 0.00 N ATOM 0 H LYS A 33 -7.953 12.714 -7.881 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.400 15.363 -6.856 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.673 14.338 -6.655 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.983 13.086 -5.641 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.489 14.600 -3.889 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.619 16.001 -4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.065 15.542 -5.208 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.917 14.183 -4.111 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.279 15.630 -2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.103 17.009 -3.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.184 17.092 -2.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.482 16.924 -3.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.652 15.587 -2.763 1.00 0.00 H new ATOM 499 N ASP A 34 -6.830 14.780 -4.999 1.00 0.00 N ATOM 500 CA ASP A 34 -5.696 14.494 -4.133 1.00 0.00 C ATOM 501 C ASP A 34 -6.197 14.044 -2.770 1.00 0.00 C ATOM 502 O ASP A 34 -7.051 14.701 -2.170 1.00 0.00 O ATOM 503 CB ASP A 34 -4.812 15.739 -3.977 1.00 0.00 C ATOM 504 CG ASP A 34 -4.734 16.566 -5.248 1.00 0.00 C ATOM 505 OD1 ASP A 34 -3.960 16.210 -6.162 1.00 0.00 O ATOM 506 OD2 ASP A 34 -5.467 17.573 -5.345 1.00 0.00 O ATOM 0 H ASP A 34 -7.149 15.748 -4.967 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.101 13.699 -4.583 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.203 16.358 -3.169 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.807 15.432 -3.686 1.00 0.00 H new ATOM 511 N SER A 35 -5.682 12.928 -2.284 1.00 0.00 N ATOM 512 CA SER A 35 -6.103 12.401 -0.997 1.00 0.00 C ATOM 513 C SER A 35 -5.310 13.056 0.128 1.00 0.00 C ATOM 514 O SER A 35 -4.197 13.530 -0.087 1.00 0.00 O ATOM 515 CB SER A 35 -5.923 10.882 -0.966 1.00 0.00 C ATOM 516 OG SER A 35 -4.601 10.513 -1.320 1.00 0.00 O ATOM 0 H SER A 35 -4.973 12.370 -2.760 1.00 0.00 H new ATOM 0 HA SER A 35 -7.159 12.629 -0.852 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.153 10.507 0.031 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.629 10.416 -1.653 1.00 0.00 H new ATOM 0 HG SER A 35 -4.211 9.969 -0.605 1.00 0.00 H new ATOM 522 N THR A 36 -5.895 13.105 1.316 1.00 0.00 N ATOM 523 CA THR A 36 -5.217 13.655 2.482 1.00 0.00 C ATOM 524 C THR A 36 -4.359 12.564 3.133 1.00 0.00 C ATOM 525 O THR A 36 -4.138 11.513 2.529 1.00 0.00 O ATOM 526 CB THR A 36 -6.252 14.203 3.487 1.00 0.00 C ATOM 527 OG1 THR A 36 -7.459 14.526 2.785 1.00 0.00 O ATOM 528 CG2 THR A 36 -5.740 15.459 4.185 1.00 0.00 C ATOM 0 H THR A 36 -6.841 12.769 1.499 1.00 0.00 H new ATOM 0 HA THR A 36 -4.571 14.477 2.174 1.00 0.00 H new ATOM 0 HB THR A 36 -6.433 13.437 4.241 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.122 14.873 3.417 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.493 15.819 4.886 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.823 15.226 4.726 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.537 16.231 3.443 1.00 0.00 H new ATOM 536 N SER A 37 -3.866 12.811 4.343 1.00 0.00 N ATOM 537 CA SER A 37 -3.064 11.827 5.054 1.00 0.00 C ATOM 538 C SER A 37 -3.863 10.550 5.291 1.00 0.00 C ATOM 539 O SER A 37 -4.852 10.548 6.028 1.00 0.00 O ATOM 540 CB SER A 37 -2.574 12.410 6.379 1.00 0.00 C ATOM 541 OG SER A 37 -1.839 13.604 6.161 1.00 0.00 O ATOM 0 H SER A 37 -4.009 13.685 4.850 1.00 0.00 H new ATOM 0 HA SER A 37 -2.198 11.574 4.442 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.425 12.615 7.029 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.948 11.681 6.893 1.00 0.00 H new ATOM 0 HG SER A 37 -1.679 13.719 5.201 1.00 0.00 H new ATOM 547 N PHE A 38 -3.438 9.476 4.649 1.00 0.00 N ATOM 548 CA PHE A 38 -4.126 8.203 4.758 1.00 0.00 C ATOM 549 C PHE A 38 -3.164 7.121 5.227 1.00 0.00 C ATOM 550 O PHE A 38 -1.952 7.217 5.016 1.00 0.00 O ATOM 551 CB PHE A 38 -4.773 7.818 3.420 1.00 0.00 C ATOM 552 CG PHE A 38 -3.791 7.589 2.304 1.00 0.00 C ATOM 553 CD1 PHE A 38 -3.264 8.655 1.592 1.00 0.00 C ATOM 554 CD2 PHE A 38 -3.398 6.306 1.968 1.00 0.00 C ATOM 555 CE1 PHE A 38 -2.361 8.440 0.567 1.00 0.00 C ATOM 556 CE2 PHE A 38 -2.496 6.089 0.946 1.00 0.00 C ATOM 557 CZ PHE A 38 -1.978 7.153 0.247 1.00 0.00 C ATOM 0 H PHE A 38 -2.616 9.461 4.045 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.920 8.301 5.498 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.363 6.912 3.562 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.465 8.606 3.124 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.561 9.663 1.840 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.802 5.464 2.512 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.956 9.277 0.018 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.197 5.082 0.695 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.272 6.982 -0.552 1.00 0.00 H new ATOM 567 N ASN A 39 -3.706 6.099 5.859 1.00 0.00 N ATOM 568 CA ASN A 39 -2.888 5.038 6.433 1.00 0.00 C ATOM 569 C ASN A 39 -2.861 3.812 5.537 1.00 0.00 C ATOM 570 O ASN A 39 -3.863 3.128 5.380 1.00 0.00 O ATOM 571 CB ASN A 39 -3.408 4.657 7.823 1.00 0.00 C ATOM 572 CG ASN A 39 -3.017 5.665 8.883 1.00 0.00 C ATOM 573 OD1 ASN A 39 -1.946 6.269 8.815 1.00 0.00 O ATOM 574 ND2 ASN A 39 -3.879 5.862 9.868 1.00 0.00 N ATOM 0 H ASN A 39 -4.710 5.977 5.991 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.870 5.416 6.521 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.494 4.571 7.790 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.019 3.676 8.097 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.666 6.534 10.605 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.756 5.342 9.890 1.00 0.00 H new ATOM 581 N VAL A 40 -1.711 3.534 4.950 1.00 0.00 N ATOM 582 CA VAL A 40 -1.551 2.342 4.135 1.00 0.00 C ATOM 583 C VAL A 40 -0.887 1.245 4.959 1.00 0.00 C ATOM 584 O VAL A 40 0.225 1.413 5.469 1.00 0.00 O ATOM 585 CB VAL A 40 -0.764 2.640 2.829 1.00 0.00 C ATOM 586 CG1 VAL A 40 0.146 1.491 2.435 1.00 0.00 C ATOM 587 CG2 VAL A 40 -1.732 2.923 1.699 1.00 0.00 C ATOM 0 H VAL A 40 -0.876 4.115 5.022 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.537 1.995 3.826 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.139 3.513 3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.675 1.745 1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.868 1.309 3.231 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.451 0.593 2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.174 3.131 0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.373 2.055 1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.346 3.787 1.954 1.00 0.00 H new ATOM 597 N SER A 41 -1.597 0.142 5.118 1.00 0.00 N ATOM 598 CA SER A 41 -1.154 -0.939 5.979 1.00 0.00 C ATOM 599 C SER A 41 -0.829 -2.189 5.175 1.00 0.00 C ATOM 600 O SER A 41 -1.551 -2.547 4.242 1.00 0.00 O ATOM 601 CB SER A 41 -2.245 -1.257 6.999 1.00 0.00 C ATOM 602 OG SER A 41 -2.585 -0.112 7.759 1.00 0.00 O ATOM 0 H SER A 41 -2.491 -0.029 4.657 1.00 0.00 H new ATOM 0 HA SER A 41 -0.246 -0.618 6.490 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.130 -1.631 6.484 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.904 -2.050 7.664 1.00 0.00 H new ATOM 0 HG SER A 41 -3.287 -0.343 8.403 1.00 0.00 H new ATOM 608 N LEU A 42 0.262 -2.845 5.537 1.00 0.00 N ATOM 609 CA LEU A 42 0.618 -4.117 4.937 1.00 0.00 C ATOM 610 C LEU A 42 0.163 -5.251 5.840 1.00 0.00 C ATOM 611 O LEU A 42 0.675 -5.423 6.950 1.00 0.00 O ATOM 612 CB LEU A 42 2.128 -4.204 4.706 1.00 0.00 C ATOM 613 CG LEU A 42 2.607 -5.501 4.051 1.00 0.00 C ATOM 614 CD1 LEU A 42 2.013 -5.650 2.659 1.00 0.00 C ATOM 615 CD2 LEU A 42 4.125 -5.534 3.990 1.00 0.00 C ATOM 0 H LEU A 42 0.917 -2.515 6.246 1.00 0.00 H new ATOM 0 HA LEU A 42 0.120 -4.200 3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.434 -3.365 4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.634 -4.090 5.664 1.00 0.00 H new ATOM 0 HG LEU A 42 2.267 -6.340 4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.366 -6.579 2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.925 -5.671 2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.321 -4.808 2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.450 -6.463 3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.484 -4.687 3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.531 -5.475 5.000 1.00 0.00 H new ATOM 627 N LEU A 43 -0.819 -6.003 5.377 1.00 0.00 N ATOM 628 CA LEU A 43 -1.347 -7.113 6.146 1.00 0.00 C ATOM 629 C LEU A 43 -0.715 -8.426 5.713 1.00 0.00 C ATOM 630 O LEU A 43 -0.473 -8.652 4.529 1.00 0.00 O ATOM 631 CB LEU A 43 -2.869 -7.210 6.009 1.00 0.00 C ATOM 632 CG LEU A 43 -3.661 -6.023 6.555 1.00 0.00 C ATOM 633 CD1 LEU A 43 -3.908 -4.985 5.474 1.00 0.00 C ATOM 634 CD2 LEU A 43 -4.973 -6.502 7.157 1.00 0.00 C ATOM 0 H LEU A 43 -1.267 -5.864 4.471 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.100 -6.926 7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.113 -7.331 4.954 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.204 -8.113 6.520 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.071 -5.548 7.339 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.474 -4.152 5.892 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.953 -4.621 5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.475 -5.436 4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.529 -5.648 7.543 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.564 -7.003 6.390 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.768 -7.199 7.970 1.00 0.00 H new ATOM 646 N VAL A 44 -0.440 -9.275 6.685 1.00 0.00 N ATOM 647 CA VAL A 44 0.036 -10.624 6.432 1.00 0.00 C ATOM 648 C VAL A 44 -0.916 -11.616 7.083 1.00 0.00 C ATOM 649 O VAL A 44 -1.006 -11.672 8.312 1.00 0.00 O ATOM 650 CB VAL A 44 1.464 -10.845 6.976 1.00 0.00 C ATOM 651 CG1 VAL A 44 1.896 -12.294 6.800 1.00 0.00 C ATOM 652 CG2 VAL A 44 2.447 -9.917 6.285 1.00 0.00 C ATOM 0 H VAL A 44 -0.540 -9.049 7.675 1.00 0.00 H new ATOM 0 HA VAL A 44 0.068 -10.775 5.353 1.00 0.00 H new ATOM 0 HB VAL A 44 1.457 -10.617 8.042 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.905 -12.423 7.191 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.211 -12.946 7.342 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.882 -12.552 5.741 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.448 -10.087 6.681 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.443 -10.115 5.213 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.157 -8.882 6.464 1.00 0.00 H new ATOM 662 N ASP A 45 -1.635 -12.366 6.247 1.00 0.00 N ATOM 663 CA ASP A 45 -2.662 -13.314 6.702 1.00 0.00 C ATOM 664 C ASP A 45 -3.849 -12.574 7.312 1.00 0.00 C ATOM 665 O ASP A 45 -4.921 -12.493 6.713 1.00 0.00 O ATOM 666 CB ASP A 45 -2.091 -14.326 7.706 1.00 0.00 C ATOM 667 CG ASP A 45 -3.090 -15.403 8.086 1.00 0.00 C ATOM 668 OD1 ASP A 45 -3.156 -16.430 7.380 1.00 0.00 O ATOM 669 OD2 ASP A 45 -3.805 -15.238 9.099 1.00 0.00 O ATOM 0 H ASP A 45 -1.524 -12.336 5.233 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.006 -13.867 5.828 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.204 -14.794 7.279 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.772 -13.799 8.605 1.00 0.00 H new ATOM 674 N GLY A 46 -3.645 -12.033 8.500 1.00 0.00 N ATOM 675 CA GLY A 46 -4.672 -11.256 9.161 1.00 0.00 C ATOM 676 C GLY A 46 -4.088 -10.230 10.115 1.00 0.00 C ATOM 677 O GLY A 46 -4.819 -9.599 10.879 1.00 0.00 O ATOM 0 H GLY A 46 -2.775 -12.119 9.025 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.280 -10.749 8.412 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.335 -11.925 9.710 1.00 0.00 H new ATOM 681 N ILE A 47 -2.771 -10.057 10.072 1.00 0.00 N ATOM 682 CA ILE A 47 -2.090 -9.123 10.959 1.00 0.00 C ATOM 683 C ILE A 47 -1.560 -7.947 10.161 1.00 0.00 C ATOM 684 O ILE A 47 -1.236 -8.088 8.984 1.00 0.00 O ATOM 685 CB ILE A 47 -0.885 -9.772 11.673 1.00 0.00 C ATOM 686 CG1 ILE A 47 -1.157 -11.241 11.991 1.00 0.00 C ATOM 687 CG2 ILE A 47 -0.555 -9.010 12.950 1.00 0.00 C ATOM 688 CD1 ILE A 47 0.066 -11.983 12.476 1.00 0.00 C ATOM 0 H ILE A 47 -2.153 -10.553 9.430 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.822 -8.807 11.702 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.029 -9.725 11.000 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.936 -11.303 12.751 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.542 -11.734 11.098 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.297 -9.478 13.443 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.309 -7.977 12.704 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.416 -9.029 13.618 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.196 -13.020 12.684 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.839 -11.951 11.708 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.439 -11.514 13.386 1.00 0.00 H new ATOM 700 N VAL A 48 -1.459 -6.798 10.797 1.00 0.00 N ATOM 701 CA VAL A 48 -0.842 -5.645 10.172 1.00 0.00 C ATOM 702 C VAL A 48 0.593 -5.523 10.664 1.00 0.00 C ATOM 703 O VAL A 48 0.836 -5.170 11.819 1.00 0.00 O ATOM 704 CB VAL A 48 -1.608 -4.343 10.477 1.00 0.00 C ATOM 705 CG1 VAL A 48 -0.984 -3.175 9.733 1.00 0.00 C ATOM 706 CG2 VAL A 48 -3.079 -4.484 10.115 1.00 0.00 C ATOM 0 H VAL A 48 -1.796 -6.637 11.746 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.865 -5.792 9.092 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.540 -4.148 11.547 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.536 -2.263 9.959 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.054 -3.057 10.045 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.021 -3.365 8.660 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.600 -3.553 10.339 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.172 -4.705 9.052 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.520 -5.295 10.695 1.00 0.00 H new ATOM 716 N VAL A 49 1.544 -5.842 9.800 1.00 0.00 N ATOM 717 CA VAL A 49 2.943 -5.859 10.199 1.00 0.00 C ATOM 718 C VAL A 49 3.516 -4.450 10.267 1.00 0.00 C ATOM 719 O VAL A 49 4.355 -4.157 11.121 1.00 0.00 O ATOM 720 CB VAL A 49 3.807 -6.735 9.263 1.00 0.00 C ATOM 721 CG1 VAL A 49 3.399 -8.194 9.382 1.00 0.00 C ATOM 722 CG2 VAL A 49 3.707 -6.269 7.818 1.00 0.00 C ATOM 0 H VAL A 49 1.375 -6.091 8.825 1.00 0.00 H new ATOM 0 HA VAL A 49 2.974 -6.301 11.195 1.00 0.00 H new ATOM 0 HB VAL A 49 4.847 -6.633 9.573 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.015 -8.800 8.718 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.538 -8.528 10.410 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.351 -8.303 9.104 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.326 -6.906 7.187 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.670 -6.328 7.487 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.053 -5.238 7.743 1.00 0.00 H new ATOM 732 N ASP A 50 3.042 -3.575 9.391 1.00 0.00 N ATOM 733 CA ASP A 50 3.529 -2.204 9.349 1.00 0.00 C ATOM 734 C ASP A 50 2.522 -1.307 8.636 1.00 0.00 C ATOM 735 O ASP A 50 1.964 -1.685 7.602 1.00 0.00 O ATOM 736 CB ASP A 50 4.892 -2.147 8.643 1.00 0.00 C ATOM 737 CG ASP A 50 5.625 -0.839 8.884 1.00 0.00 C ATOM 738 OD1 ASP A 50 5.280 -0.128 9.849 1.00 0.00 O ATOM 739 OD2 ASP A 50 6.568 -0.525 8.121 1.00 0.00 O ATOM 0 H ASP A 50 2.322 -3.790 8.701 1.00 0.00 H new ATOM 0 HA ASP A 50 3.651 -1.844 10.370 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.511 -2.974 8.990 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.747 -2.285 7.572 1.00 0.00 H new ATOM 744 N THR A 51 2.272 -0.142 9.213 1.00 0.00 N ATOM 745 CA THR A 51 1.378 0.843 8.623 1.00 0.00 C ATOM 746 C THR A 51 2.130 2.143 8.381 1.00 0.00 C ATOM 747 O THR A 51 2.751 2.685 9.294 1.00 0.00 O ATOM 748 CB THR A 51 0.167 1.135 9.537 1.00 0.00 C ATOM 749 OG1 THR A 51 -0.590 -0.062 9.760 1.00 0.00 O ATOM 750 CG2 THR A 51 -0.735 2.201 8.930 1.00 0.00 C ATOM 0 H THR A 51 2.682 0.147 10.101 1.00 0.00 H new ATOM 0 HA THR A 51 1.013 0.431 7.682 1.00 0.00 H new ATOM 0 HB THR A 51 0.551 1.504 10.488 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.311 -0.121 9.099 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.579 2.386 9.595 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.169 3.123 8.797 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.104 1.858 7.963 1.00 0.00 H new ATOM 758 N GLN A 52 2.086 2.643 7.158 1.00 0.00 N ATOM 759 CA GLN A 52 2.750 3.892 6.842 1.00 0.00 C ATOM 760 C GLN A 52 1.718 4.982 6.585 1.00 0.00 C ATOM 761 O GLN A 52 0.848 4.836 5.723 1.00 0.00 O ATOM 762 CB GLN A 52 3.649 3.743 5.617 1.00 0.00 C ATOM 763 CG GLN A 52 4.662 4.867 5.491 1.00 0.00 C ATOM 764 CD GLN A 52 5.087 5.129 4.062 1.00 0.00 C ATOM 765 OE1 GLN A 52 6.047 4.544 3.567 1.00 0.00 O ATOM 766 NE2 GLN A 52 4.374 6.017 3.389 1.00 0.00 N ATOM 0 H GLN A 52 1.601 2.206 6.374 1.00 0.00 H new ATOM 0 HA GLN A 52 3.370 4.168 7.695 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.175 2.790 5.672 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.031 3.715 4.720 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.237 5.779 5.910 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.542 4.623 6.086 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.584 6.481 3.836 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.615 6.237 2.423 1.00 0.00 H new ATOM 775 N THR A 53 1.811 6.062 7.336 1.00 0.00 N ATOM 776 CA THR A 53 0.930 7.192 7.144 1.00 0.00 C ATOM 777 C THR A 53 1.434 8.053 5.992 1.00 0.00 C ATOM 778 O THR A 53 2.428 8.769 6.126 1.00 0.00 O ATOM 779 CB THR A 53 0.831 8.038 8.427 1.00 0.00 C ATOM 780 OG1 THR A 53 0.478 7.193 9.531 1.00 0.00 O ATOM 781 CG2 THR A 53 -0.209 9.141 8.277 1.00 0.00 C ATOM 0 H THR A 53 2.491 6.179 8.087 1.00 0.00 H new ATOM 0 HA THR A 53 -0.064 6.814 6.906 1.00 0.00 H new ATOM 0 HB THR A 53 1.800 8.503 8.609 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.342 6.700 9.317 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.258 9.723 9.198 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.070 9.794 7.450 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.184 8.697 8.076 1.00 0.00 H new ATOM 789 N VAL A 54 0.773 7.948 4.851 1.00 0.00 N ATOM 790 CA VAL A 54 1.139 8.739 3.689 1.00 0.00 C ATOM 791 C VAL A 54 0.535 10.130 3.823 1.00 0.00 C ATOM 792 O VAL A 54 -0.678 10.268 3.986 1.00 0.00 O ATOM 793 CB VAL A 54 0.658 8.088 2.373 1.00 0.00 C ATOM 794 CG1 VAL A 54 1.214 8.834 1.169 1.00 0.00 C ATOM 795 CG2 VAL A 54 1.047 6.615 2.321 1.00 0.00 C ATOM 0 H VAL A 54 -0.020 7.323 4.705 1.00 0.00 H new ATOM 0 HA VAL A 54 2.227 8.798 3.648 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.430 8.152 2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.863 8.359 0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.875 9.869 1.194 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.303 8.809 1.196 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.697 6.179 1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.131 6.523 2.381 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.591 6.088 3.159 1.00 0.00 H new ATOM 805 N THR A 55 1.388 11.148 3.772 1.00 0.00 N ATOM 806 CA THR A 55 0.968 12.523 4.017 1.00 0.00 C ATOM 807 C THR A 55 -0.166 12.940 3.081 1.00 0.00 C ATOM 808 O THR A 55 -1.128 13.574 3.515 1.00 0.00 O ATOM 809 CB THR A 55 2.152 13.497 3.872 1.00 0.00 C ATOM 810 OG1 THR A 55 3.267 13.024 4.640 1.00 0.00 O ATOM 811 CG2 THR A 55 1.767 14.890 4.349 1.00 0.00 C ATOM 0 H THR A 55 2.381 11.045 3.562 1.00 0.00 H new ATOM 0 HA THR A 55 0.599 12.567 5.042 1.00 0.00 H new ATOM 0 HB THR A 55 2.425 13.550 2.818 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.018 13.646 4.543 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.619 15.561 4.237 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.932 15.261 3.754 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.474 14.847 5.398 1.00 0.00 H new ATOM 819 N SER A 56 -0.049 12.573 1.808 1.00 0.00 N ATOM 820 CA SER A 56 -1.114 12.800 0.836 1.00 0.00 C ATOM 821 C SER A 56 -0.697 12.298 -0.540 1.00 0.00 C ATOM 822 O SER A 56 0.443 12.500 -0.957 1.00 0.00 O ATOM 823 CB SER A 56 -1.487 14.289 0.761 1.00 0.00 C ATOM 824 OG SER A 56 -0.362 15.113 0.497 1.00 0.00 O ATOM 0 H SER A 56 0.777 12.115 1.424 1.00 0.00 H new ATOM 0 HA SER A 56 -1.991 12.243 1.166 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.233 14.436 -0.020 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.946 14.594 1.702 1.00 0.00 H new ATOM 0 HG SER A 56 -0.645 16.050 0.456 1.00 0.00 H new ATOM 830 N LEU A 57 -1.602 11.624 -1.235 1.00 0.00 N ATOM 831 CA LEU A 57 -1.321 11.195 -2.593 1.00 0.00 C ATOM 832 C LEU A 57 -2.090 12.062 -3.575 1.00 0.00 C ATOM 833 O LEU A 57 -3.319 11.993 -3.660 1.00 0.00 O ATOM 834 CB LEU A 57 -1.657 9.717 -2.806 1.00 0.00 C ATOM 835 CG LEU A 57 -1.277 9.171 -4.187 1.00 0.00 C ATOM 836 CD1 LEU A 57 0.179 9.469 -4.494 1.00 0.00 C ATOM 837 CD2 LEU A 57 -1.529 7.676 -4.270 1.00 0.00 C ATOM 0 H LEU A 57 -2.525 11.366 -0.885 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.251 11.311 -2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.147 9.128 -2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.727 9.575 -2.655 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.904 9.668 -4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.432 9.074 -5.478 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.340 10.547 -4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.813 9.000 -3.741 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.251 7.315 -5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.932 7.164 -3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.586 7.475 -4.094 1.00 0.00 H new ATOM 849 N GLU A 58 -1.358 12.885 -4.304 1.00 0.00 N ATOM 850 CA GLU A 58 -1.954 13.820 -5.240 1.00 0.00 C ATOM 851 C GLU A 58 -2.616 13.089 -6.404 1.00 0.00 C ATOM 852 O GLU A 58 -2.331 11.920 -6.666 1.00 0.00 O ATOM 853 CB GLU A 58 -0.891 14.793 -5.747 1.00 0.00 C ATOM 854 CG GLU A 58 -0.222 15.576 -4.632 1.00 0.00 C ATOM 855 CD GLU A 58 0.829 16.534 -5.141 1.00 0.00 C ATOM 856 OE1 GLU A 58 2.001 16.122 -5.272 1.00 0.00 O ATOM 857 OE2 GLU A 58 0.492 17.703 -5.413 1.00 0.00 O ATOM 0 H GLU A 58 -0.340 12.924 -4.264 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.731 14.382 -4.721 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.133 14.238 -6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.350 15.490 -6.448 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.979 16.133 -4.080 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.236 14.880 -3.929 1.00 0.00 H new ATOM 864 N SER A 59 -3.510 13.787 -7.079 1.00 0.00 N ATOM 865 CA SER A 59 -4.254 13.228 -8.198 1.00 0.00 C ATOM 866 C SER A 59 -3.320 12.790 -9.324 1.00 0.00 C ATOM 867 O SER A 59 -2.502 13.575 -9.806 1.00 0.00 O ATOM 868 CB SER A 59 -5.274 14.254 -8.701 1.00 0.00 C ATOM 869 OG SER A 59 -4.740 15.570 -8.666 1.00 0.00 O ATOM 0 H SER A 59 -3.743 14.758 -6.869 1.00 0.00 H new ATOM 0 HA SER A 59 -4.783 12.339 -7.854 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.570 14.006 -9.720 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.173 14.207 -8.087 1.00 0.00 H new ATOM 0 HG SER A 59 -4.775 15.913 -7.749 1.00 0.00 H new ATOM 875 N GLU A 60 -3.444 11.518 -9.714 1.00 0.00 N ATOM 876 CA GLU A 60 -2.632 10.925 -10.783 1.00 0.00 C ATOM 877 C GLU A 60 -1.156 10.870 -10.400 1.00 0.00 C ATOM 878 O GLU A 60 -0.286 10.691 -11.256 1.00 0.00 O ATOM 879 CB GLU A 60 -2.806 11.696 -12.092 1.00 0.00 C ATOM 880 CG GLU A 60 -4.232 11.703 -12.609 1.00 0.00 C ATOM 881 CD GLU A 60 -4.386 12.554 -13.848 1.00 0.00 C ATOM 882 OE1 GLU A 60 -4.440 13.790 -13.715 1.00 0.00 O ATOM 883 OE2 GLU A 60 -4.450 11.993 -14.960 1.00 0.00 O ATOM 0 H GLU A 60 -4.111 10.869 -9.297 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.984 9.903 -10.927 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.477 12.725 -11.944 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.156 11.259 -12.850 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.541 10.682 -12.831 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.897 12.075 -11.830 1.00 0.00 H new ATOM 890 N ASN A 61 -0.872 11.011 -9.116 1.00 0.00 N ATOM 891 CA ASN A 61 0.496 10.937 -8.631 1.00 0.00 C ATOM 892 C ASN A 61 0.786 9.530 -8.131 1.00 0.00 C ATOM 893 O ASN A 61 -0.115 8.834 -7.655 1.00 0.00 O ATOM 894 CB ASN A 61 0.727 11.966 -7.519 1.00 0.00 C ATOM 895 CG ASN A 61 2.172 12.033 -7.060 1.00 0.00 C ATOM 896 OD1 ASN A 61 2.575 11.347 -6.119 1.00 0.00 O ATOM 897 ND2 ASN A 61 2.962 12.866 -7.721 1.00 0.00 N ATOM 0 H ASN A 61 -1.570 11.177 -8.391 1.00 0.00 H new ATOM 0 HA ASN A 61 1.178 11.167 -9.450 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.419 12.950 -7.873 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.093 11.720 -6.667 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.943 12.957 -7.456 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.589 13.416 -8.495 1.00 0.00 H new ATOM 904 N SER A 62 2.029 9.106 -8.266 1.00 0.00 N ATOM 905 CA SER A 62 2.438 7.789 -7.819 1.00 0.00 C ATOM 906 C SER A 62 3.375 7.912 -6.623 1.00 0.00 C ATOM 907 O SER A 62 4.287 8.740 -6.625 1.00 0.00 O ATOM 908 CB SER A 62 3.138 7.052 -8.959 1.00 0.00 C ATOM 909 OG SER A 62 2.333 7.042 -10.130 1.00 0.00 O ATOM 0 H SER A 62 2.777 9.659 -8.685 1.00 0.00 H new ATOM 0 HA SER A 62 1.556 7.224 -7.518 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.093 7.531 -9.174 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.356 6.028 -8.655 1.00 0.00 H new ATOM 0 HG SER A 62 2.726 6.435 -10.792 1.00 0.00 H new ATOM 915 N THR A 63 3.145 7.107 -5.598 1.00 0.00 N ATOM 916 CA THR A 63 3.973 7.153 -4.405 1.00 0.00 C ATOM 917 C THR A 63 4.252 5.748 -3.874 1.00 0.00 C ATOM 918 O THR A 63 3.339 4.935 -3.711 1.00 0.00 O ATOM 919 CB THR A 63 3.314 8.024 -3.313 1.00 0.00 C ATOM 920 OG1 THR A 63 3.186 9.372 -3.794 1.00 0.00 O ATOM 921 CG2 THR A 63 4.121 8.021 -2.022 1.00 0.00 C ATOM 0 H THR A 63 2.395 6.417 -5.568 1.00 0.00 H new ATOM 0 HA THR A 63 4.926 7.606 -4.678 1.00 0.00 H new ATOM 0 HB THR A 63 2.333 7.603 -3.094 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.767 9.927 -3.104 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.623 8.645 -1.280 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.199 7.002 -1.644 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.119 8.414 -2.216 1.00 0.00 H new ATOM 929 N ASN A 64 5.525 5.470 -3.629 1.00 0.00 N ATOM 930 CA ASN A 64 5.954 4.169 -3.135 1.00 0.00 C ATOM 931 C ASN A 64 5.961 4.149 -1.613 1.00 0.00 C ATOM 932 O ASN A 64 6.475 5.067 -0.970 1.00 0.00 O ATOM 933 CB ASN A 64 7.348 3.833 -3.671 1.00 0.00 C ATOM 934 CG ASN A 64 7.331 3.430 -5.132 1.00 0.00 C ATOM 935 OD1 ASN A 64 6.398 2.774 -5.596 1.00 0.00 O ATOM 936 ND2 ASN A 64 8.355 3.830 -5.871 1.00 0.00 N ATOM 0 H ASN A 64 6.286 6.136 -3.766 1.00 0.00 H new ATOM 0 HA ASN A 64 5.248 3.417 -3.488 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.000 4.698 -3.544 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.775 3.023 -3.080 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.390 3.596 -6.863 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.108 4.372 -5.448 1.00 0.00 H new ATOM 943 N VAL A 65 5.383 3.102 -1.046 1.00 0.00 N ATOM 944 CA VAL A 65 5.300 2.961 0.398 1.00 0.00 C ATOM 945 C VAL A 65 6.434 2.085 0.913 1.00 0.00 C ATOM 946 O VAL A 65 6.705 1.018 0.364 1.00 0.00 O ATOM 947 CB VAL A 65 3.951 2.343 0.822 1.00 0.00 C ATOM 948 CG1 VAL A 65 3.820 2.308 2.334 1.00 0.00 C ATOM 949 CG2 VAL A 65 2.798 3.113 0.203 1.00 0.00 C ATOM 0 H VAL A 65 4.962 2.333 -1.568 1.00 0.00 H new ATOM 0 HA VAL A 65 5.382 3.958 0.830 1.00 0.00 H new ATOM 0 HB VAL A 65 3.918 1.316 0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.861 1.868 2.606 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.627 1.708 2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.878 3.323 2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.854 2.665 0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.833 4.150 0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.878 3.078 -0.883 1.00 0.00 H new ATOM 959 N ASP A 66 7.086 2.551 1.965 1.00 0.00 N ATOM 960 CA ASP A 66 8.232 1.863 2.542 1.00 0.00 C ATOM 961 C ASP A 66 7.826 1.123 3.810 1.00 0.00 C ATOM 962 O ASP A 66 7.585 1.736 4.848 1.00 0.00 O ATOM 963 CB ASP A 66 9.340 2.880 2.847 1.00 0.00 C ATOM 964 CG ASP A 66 10.469 2.310 3.681 1.00 0.00 C ATOM 965 OD1 ASP A 66 11.278 1.530 3.140 1.00 0.00 O ATOM 966 OD2 ASP A 66 10.565 2.665 4.879 1.00 0.00 O ATOM 0 H ASP A 66 6.837 3.416 2.444 1.00 0.00 H new ATOM 0 HA ASP A 66 8.606 1.131 1.826 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.746 3.256 1.908 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.906 3.732 3.370 1.00 0.00 H new ATOM 971 N PHE A 67 7.719 -0.193 3.711 1.00 0.00 N ATOM 972 CA PHE A 67 7.358 -1.018 4.856 1.00 0.00 C ATOM 973 C PHE A 67 8.583 -1.701 5.440 1.00 0.00 C ATOM 974 O PHE A 67 9.520 -2.054 4.717 1.00 0.00 O ATOM 975 CB PHE A 67 6.353 -2.098 4.466 1.00 0.00 C ATOM 976 CG PHE A 67 4.991 -1.596 4.094 1.00 0.00 C ATOM 977 CD1 PHE A 67 4.225 -0.884 5.002 1.00 0.00 C ATOM 978 CD2 PHE A 67 4.463 -1.873 2.846 1.00 0.00 C ATOM 979 CE1 PHE A 67 2.956 -0.457 4.668 1.00 0.00 C ATOM 980 CE2 PHE A 67 3.199 -1.444 2.505 1.00 0.00 C ATOM 981 CZ PHE A 67 2.444 -0.738 3.418 1.00 0.00 C ATOM 0 H PHE A 67 7.877 -0.714 2.849 1.00 0.00 H new ATOM 0 HA PHE A 67 6.913 -0.353 5.596 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.757 -2.662 3.625 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.251 -2.795 5.298 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.624 -0.661 5.980 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.048 -2.432 2.131 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.365 0.096 5.383 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.800 -1.660 1.525 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.451 -0.405 3.154 1.00 0.00 H new ATOM 991 N HIS A 68 8.564 -1.904 6.745 1.00 0.00 N ATOM 992 CA HIS A 68 9.623 -2.636 7.419 1.00 0.00 C ATOM 993 C HIS A 68 9.056 -3.918 8.003 1.00 0.00 C ATOM 994 O HIS A 68 8.540 -3.934 9.118 1.00 0.00 O ATOM 995 CB HIS A 68 10.273 -1.784 8.516 1.00 0.00 C ATOM 996 CG HIS A 68 10.960 -0.562 7.990 1.00 0.00 C ATOM 997 ND1 HIS A 68 12.324 -0.392 8.028 1.00 0.00 N ATOM 998 CD2 HIS A 68 10.463 0.546 7.397 1.00 0.00 C ATOM 999 CE1 HIS A 68 12.634 0.766 7.478 1.00 0.00 C ATOM 1000 NE2 HIS A 68 11.523 1.357 7.084 1.00 0.00 N ATOM 0 H HIS A 68 7.823 -1.571 7.362 1.00 0.00 H new ATOM 0 HA HIS A 68 10.398 -2.882 6.693 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.509 -1.482 9.232 1.00 0.00 H new ATOM 0 HB3 HIS A 68 10.996 -2.393 9.059 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.421 0.755 7.205 1.00 0.00 H new ATOM 0 HE1 HIS A 68 13.632 1.164 7.369 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.462 2.265 6.624 1.00 0.00 H new ATOM 1009 N TRP A 69 9.134 -4.990 7.232 1.00 0.00 N ATOM 1010 CA TRP A 69 8.509 -6.243 7.613 1.00 0.00 C ATOM 1011 C TRP A 69 9.527 -7.211 8.200 1.00 0.00 C ATOM 1012 O TRP A 69 10.352 -7.782 7.485 1.00 0.00 O ATOM 1013 CB TRP A 69 7.797 -6.868 6.403 1.00 0.00 C ATOM 1014 CG TRP A 69 7.282 -8.260 6.645 1.00 0.00 C ATOM 1015 CD1 TRP A 69 6.876 -8.795 7.834 1.00 0.00 C ATOM 1016 CD2 TRP A 69 7.115 -9.292 5.666 1.00 0.00 C ATOM 1017 NE1 TRP A 69 6.493 -10.102 7.660 1.00 0.00 N ATOM 1018 CE2 TRP A 69 6.621 -10.428 6.335 1.00 0.00 C ATOM 1019 CE3 TRP A 69 7.336 -9.365 4.289 1.00 0.00 C ATOM 1020 CZ2 TRP A 69 6.353 -11.624 5.674 1.00 0.00 C ATOM 1021 CZ3 TRP A 69 7.065 -10.551 3.634 1.00 0.00 C ATOM 1022 CH2 TRP A 69 6.577 -11.667 4.326 1.00 0.00 C ATOM 0 H TRP A 69 9.625 -5.016 6.338 1.00 0.00 H new ATOM 0 HA TRP A 69 7.769 -6.035 8.386 1.00 0.00 H new ATOM 0 HB2 TRP A 69 6.963 -6.228 6.116 1.00 0.00 H new ATOM 0 HB3 TRP A 69 8.487 -6.889 5.560 1.00 0.00 H new ATOM 0 HD1 TRP A 69 6.859 -8.266 8.776 1.00 0.00 H new ATOM 0 HE1 TRP A 69 6.167 -10.728 8.396 1.00 0.00 H new ATOM 0 HE3 TRP A 69 7.712 -8.510 3.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 5.982 -12.487 6.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 7.232 -10.619 2.569 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.374 -12.579 3.784 1.00 0.00 H new ATOM 1033 N THR A 70 9.473 -7.367 9.514 1.00 0.00 N ATOM 1034 CA THR A 70 10.257 -8.377 10.197 1.00 0.00 C ATOM 1035 C THR A 70 9.641 -9.748 9.932 1.00 0.00 C ATOM 1036 O THR A 70 8.552 -10.045 10.428 1.00 0.00 O ATOM 1037 CB THR A 70 10.293 -8.107 11.714 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.540 -6.712 11.955 1.00 0.00 O ATOM 1039 CG2 THR A 70 11.372 -8.939 12.390 1.00 0.00 C ATOM 0 H THR A 70 8.889 -6.801 10.130 1.00 0.00 H new ATOM 0 HA THR A 70 11.279 -8.348 9.820 1.00 0.00 H new ATOM 0 HB THR A 70 9.327 -8.387 12.133 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.560 -6.545 12.921 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.376 -8.730 13.460 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.170 -9.998 12.228 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.344 -8.687 11.967 1.00 0.00 H new ATOM 1047 N LEU A 71 10.320 -10.562 9.127 1.00 0.00 N ATOM 1048 CA LEU A 71 9.766 -11.834 8.669 1.00 0.00 C ATOM 1049 C LEU A 71 9.432 -12.751 9.838 1.00 0.00 C ATOM 1050 O LEU A 71 8.257 -13.018 10.106 1.00 0.00 O ATOM 1051 CB LEU A 71 10.749 -12.541 7.734 1.00 0.00 C ATOM 1052 CG LEU A 71 10.127 -13.222 6.511 1.00 0.00 C ATOM 1053 CD1 LEU A 71 8.964 -14.122 6.897 1.00 0.00 C ATOM 1054 CD2 LEU A 71 9.696 -12.186 5.496 1.00 0.00 C ATOM 0 H LEU A 71 11.257 -10.363 8.778 1.00 0.00 H new ATOM 0 HA LEU A 71 8.845 -11.612 8.130 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.482 -11.812 7.388 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.293 -13.291 8.308 1.00 0.00 H new ATOM 0 HG LEU A 71 10.889 -13.858 6.060 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.550 -14.586 6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.314 -14.897 7.579 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.192 -13.529 7.388 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.256 -12.684 4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.959 -11.521 5.946 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.562 -11.606 5.178 1.00 0.00 H new ATOM 1066 N ASP A 72 10.476 -13.234 10.510 1.00 0.00 N ATOM 1067 CA ASP A 72 10.349 -14.165 11.641 1.00 0.00 C ATOM 1068 C ASP A 72 9.949 -15.571 11.184 1.00 0.00 C ATOM 1069 O ASP A 72 10.551 -16.560 11.602 1.00 0.00 O ATOM 1070 CB ASP A 72 9.349 -13.640 12.679 1.00 0.00 C ATOM 1071 CG ASP A 72 9.106 -14.624 13.805 1.00 0.00 C ATOM 1072 OD1 ASP A 72 9.918 -14.660 14.753 1.00 0.00 O ATOM 1073 OD2 ASP A 72 8.097 -15.361 13.748 1.00 0.00 O ATOM 0 H ASP A 72 11.441 -12.992 10.287 1.00 0.00 H new ATOM 0 HA ASP A 72 11.332 -14.233 12.106 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.720 -12.703 13.094 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.403 -13.417 12.186 1.00 0.00 H new ATOM 1078 N GLY A 73 8.941 -15.652 10.324 1.00 0.00 N ATOM 1079 CA GLY A 73 8.443 -16.938 9.865 1.00 0.00 C ATOM 1080 C GLY A 73 9.360 -17.620 8.866 1.00 0.00 C ATOM 1081 O GLY A 73 10.457 -17.136 8.578 1.00 0.00 O ATOM 0 H GLY A 73 8.456 -14.845 9.933 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.304 -17.593 10.725 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.463 -16.798 9.410 1.00 0.00 H new ATOM 1085 N THR A 74 8.902 -18.745 8.327 1.00 0.00 N ATOM 1086 CA THR A 74 9.711 -19.553 7.424 1.00 0.00 C ATOM 1087 C THR A 74 8.858 -20.152 6.292 1.00 0.00 C ATOM 1088 O THR A 74 9.309 -21.029 5.550 1.00 0.00 O ATOM 1089 CB THR A 74 10.422 -20.685 8.212 1.00 0.00 C ATOM 1090 OG1 THR A 74 11.263 -21.468 7.350 1.00 0.00 O ATOM 1091 CG2 THR A 74 9.404 -21.588 8.890 1.00 0.00 C ATOM 0 H THR A 74 7.969 -19.119 8.502 1.00 0.00 H new ATOM 0 HA THR A 74 10.461 -18.903 6.973 1.00 0.00 H new ATOM 0 HB THR A 74 11.045 -20.214 8.973 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.872 -21.499 6.452 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.923 -22.375 9.437 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.802 -21.001 9.583 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.756 -22.036 8.136 1.00 0.00 H new ATOM 1099 N ALA A 75 7.632 -19.660 6.140 1.00 0.00 N ATOM 1100 CA ALA A 75 6.743 -20.169 5.105 1.00 0.00 C ATOM 1101 C ALA A 75 7.217 -19.712 3.729 1.00 0.00 C ATOM 1102 O ALA A 75 7.670 -18.582 3.568 1.00 0.00 O ATOM 1103 CB ALA A 75 5.313 -19.719 5.361 1.00 0.00 C ATOM 0 H ALA A 75 7.236 -18.917 6.715 1.00 0.00 H new ATOM 0 HA ALA A 75 6.765 -21.258 5.131 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.663 -20.109 4.578 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.981 -20.095 6.329 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.269 -18.630 5.361 1.00 0.00 H new ATOM 1109 N ASN A 76 7.107 -20.591 2.739 1.00 0.00 N ATOM 1110 CA ASN A 76 7.621 -20.302 1.401 1.00 0.00 C ATOM 1111 C ASN A 76 6.689 -19.373 0.633 1.00 0.00 C ATOM 1112 O ASN A 76 7.003 -18.942 -0.476 1.00 0.00 O ATOM 1113 CB ASN A 76 7.839 -21.590 0.597 1.00 0.00 C ATOM 1114 CG ASN A 76 6.543 -22.264 0.170 1.00 0.00 C ATOM 1115 OD1 ASN A 76 5.536 -22.225 0.878 1.00 0.00 O ATOM 1116 ND2 ASN A 76 6.559 -22.875 -1.005 1.00 0.00 N ATOM 0 H ASN A 76 6.669 -21.507 2.835 1.00 0.00 H new ATOM 0 HA ASN A 76 8.581 -19.802 1.533 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.429 -21.360 -0.290 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.423 -22.289 1.196 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.717 -23.335 -1.352 1.00 0.00 H new ATOM 0 HD22 ASN A 76 7.413 -22.886 -1.563 1.00 0.00 H new ATOM 1123 N SER A 77 5.540 -19.072 1.218 1.00 0.00 N ATOM 1124 CA SER A 77 4.560 -18.213 0.573 1.00 0.00 C ATOM 1125 C SER A 77 3.740 -17.458 1.610 1.00 0.00 C ATOM 1126 O SER A 77 3.022 -18.061 2.409 1.00 0.00 O ATOM 1127 CB SER A 77 3.636 -19.041 -0.322 1.00 0.00 C ATOM 1128 OG SER A 77 4.381 -19.757 -1.293 1.00 0.00 O ATOM 0 H SER A 77 5.263 -19.411 2.140 1.00 0.00 H new ATOM 0 HA SER A 77 5.094 -17.488 -0.042 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.061 -19.738 0.288 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.920 -18.386 -0.818 1.00 0.00 H new ATOM 0 HG SER A 77 3.771 -20.281 -1.853 1.00 0.00 H new ATOM 1134 N TYR A 78 3.869 -16.143 1.605 1.00 0.00 N ATOM 1135 CA TYR A 78 3.095 -15.300 2.498 1.00 0.00 C ATOM 1136 C TYR A 78 2.082 -14.473 1.721 1.00 0.00 C ATOM 1137 O TYR A 78 2.382 -13.946 0.648 1.00 0.00 O ATOM 1138 CB TYR A 78 4.011 -14.384 3.310 1.00 0.00 C ATOM 1139 CG TYR A 78 4.649 -15.067 4.496 1.00 0.00 C ATOM 1140 CD1 TYR A 78 5.819 -15.801 4.358 1.00 0.00 C ATOM 1141 CD2 TYR A 78 4.066 -14.990 5.753 1.00 0.00 C ATOM 1142 CE1 TYR A 78 6.393 -16.432 5.444 1.00 0.00 C ATOM 1143 CE2 TYR A 78 4.633 -15.620 6.840 1.00 0.00 C ATOM 1144 CZ TYR A 78 5.794 -16.341 6.680 1.00 0.00 C ATOM 1145 OH TYR A 78 6.356 -16.984 7.757 1.00 0.00 O ATOM 0 H TYR A 78 4.505 -15.635 0.990 1.00 0.00 H new ATOM 0 HA TYR A 78 2.555 -15.950 3.186 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.795 -13.997 2.659 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.436 -13.527 3.660 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.287 -15.880 3.388 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.153 -14.427 5.882 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.307 -16.994 5.324 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.168 -15.548 7.812 1.00 0.00 H new ATOM 0 HH TYR A 78 5.670 -17.510 8.219 1.00 0.00 H new ATOM 1155 N THR A 79 0.882 -14.370 2.266 1.00 0.00 N ATOM 1156 CA THR A 79 -0.169 -13.597 1.640 1.00 0.00 C ATOM 1157 C THR A 79 -0.160 -12.175 2.184 1.00 0.00 C ATOM 1158 O THR A 79 -0.675 -11.908 3.273 1.00 0.00 O ATOM 1159 CB THR A 79 -1.550 -14.239 1.875 1.00 0.00 C ATOM 1160 OG1 THR A 79 -1.526 -15.610 1.450 1.00 0.00 O ATOM 1161 CG2 THR A 79 -2.638 -13.491 1.114 1.00 0.00 C ATOM 0 H THR A 79 0.614 -14.815 3.144 1.00 0.00 H new ATOM 0 HA THR A 79 0.018 -13.578 0.566 1.00 0.00 H new ATOM 0 HB THR A 79 -1.774 -14.186 2.940 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.405 -16.015 1.603 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.602 -13.965 1.298 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.673 -12.456 1.453 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.419 -13.517 0.047 1.00 0.00 H new ATOM 1169 N LEU A 80 0.462 -11.274 1.438 1.00 0.00 N ATOM 1170 CA LEU A 80 0.554 -9.886 1.845 1.00 0.00 C ATOM 1171 C LEU A 80 -0.529 -9.062 1.170 1.00 0.00 C ATOM 1172 O LEU A 80 -0.794 -9.212 -0.023 1.00 0.00 O ATOM 1173 CB LEU A 80 1.938 -9.316 1.533 1.00 0.00 C ATOM 1174 CG LEU A 80 2.981 -9.485 2.646 1.00 0.00 C ATOM 1175 CD1 LEU A 80 3.192 -10.951 2.986 1.00 0.00 C ATOM 1176 CD2 LEU A 80 4.292 -8.837 2.239 1.00 0.00 C ATOM 0 H LEU A 80 0.910 -11.483 0.546 1.00 0.00 H new ATOM 0 HA LEU A 80 0.405 -9.837 2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.315 -9.794 0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.834 -8.254 1.313 1.00 0.00 H new ATOM 0 HG LEU A 80 2.606 -8.988 3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.936 -11.037 3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.251 -11.385 3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.540 -11.483 2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.024 -8.964 3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.663 -9.307 1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.132 -7.774 2.059 1.00 0.00 H new ATOM 1188 N THR A 81 -1.162 -8.208 1.944 1.00 0.00 N ATOM 1189 CA THR A 81 -2.260 -7.406 1.450 1.00 0.00 C ATOM 1190 C THR A 81 -2.059 -5.942 1.810 1.00 0.00 C ATOM 1191 O THR A 81 -2.002 -5.585 2.984 1.00 0.00 O ATOM 1192 CB THR A 81 -3.599 -7.899 2.029 1.00 0.00 C ATOM 1193 OG1 THR A 81 -3.731 -9.309 1.808 1.00 0.00 O ATOM 1194 CG2 THR A 81 -4.773 -7.174 1.390 1.00 0.00 C ATOM 0 H THR A 81 -0.933 -8.050 2.925 1.00 0.00 H new ATOM 0 HA THR A 81 -2.285 -7.506 0.365 1.00 0.00 H new ATOM 0 HB THR A 81 -3.605 -7.689 3.099 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.583 -9.620 2.179 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.705 -7.543 1.818 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.686 -6.104 1.578 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.771 -7.355 0.315 1.00 0.00 H new ATOM 1202 N VAL A 82 -1.925 -5.102 0.801 1.00 0.00 N ATOM 1203 CA VAL A 82 -1.821 -3.670 1.025 1.00 0.00 C ATOM 1204 C VAL A 82 -3.211 -3.056 1.034 1.00 0.00 C ATOM 1205 O VAL A 82 -3.843 -2.923 -0.014 1.00 0.00 O ATOM 1206 CB VAL A 82 -0.956 -2.977 -0.050 1.00 0.00 C ATOM 1207 CG1 VAL A 82 -0.847 -1.484 0.225 1.00 0.00 C ATOM 1208 CG2 VAL A 82 0.426 -3.609 -0.116 1.00 0.00 C ATOM 0 H VAL A 82 -1.886 -5.384 -0.179 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.335 -3.519 1.989 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.443 -3.112 -1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.233 -1.016 -0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.842 -1.039 0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.388 -1.326 1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.020 -3.106 -0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.919 -3.509 0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.331 -4.665 -0.367 1.00 0.00 H new ATOM 1218 N ASN A 83 -3.704 -2.728 2.219 1.00 0.00 N ATOM 1219 CA ASN A 83 -5.008 -2.099 2.335 1.00 0.00 C ATOM 1220 C ASN A 83 -4.837 -0.599 2.504 1.00 0.00 C ATOM 1221 O ASN A 83 -4.227 -0.134 3.473 1.00 0.00 O ATOM 1222 CB ASN A 83 -5.799 -2.679 3.510 1.00 0.00 C ATOM 1223 CG ASN A 83 -7.260 -2.268 3.476 1.00 0.00 C ATOM 1224 OD1 ASN A 83 -7.831 -2.051 2.409 1.00 0.00 O ATOM 1225 ND2 ASN A 83 -7.878 -2.168 4.642 1.00 0.00 N ATOM 0 H ASN A 83 -3.225 -2.886 3.106 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.571 -2.299 1.423 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.729 -3.767 3.492 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.351 -2.346 4.447 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.862 -1.903 4.676 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.370 -2.356 5.506 1.00 0.00 H new ATOM 1232 N VAL A 84 -5.353 0.151 1.548 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.204 1.592 1.548 1.00 0.00 C ATOM 1234 C VAL A 84 -6.280 2.261 2.394 1.00 0.00 C ATOM 1235 O VAL A 84 -7.445 2.325 2.004 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.229 2.157 0.116 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -5.135 3.671 0.129 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -4.090 1.562 -0.696 1.00 0.00 C ATOM 0 H VAL A 84 -5.882 -0.218 0.758 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.232 1.814 1.989 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.177 1.883 -0.347 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.155 4.046 -0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.979 4.083 0.683 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.204 3.974 0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.114 1.967 -1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.139 1.814 -0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.199 0.478 -0.736 1.00 0.00 H new ATOM 1248 N ASP A 85 -5.850 2.739 3.559 1.00 0.00 N ATOM 1249 CA ASP A 85 -6.703 3.441 4.518 1.00 0.00 C ATOM 1250 C ASP A 85 -7.834 2.548 5.018 1.00 0.00 C ATOM 1251 O ASP A 85 -8.944 2.562 4.486 1.00 0.00 O ATOM 1252 CB ASP A 85 -7.260 4.744 3.937 1.00 0.00 C ATOM 1253 CG ASP A 85 -7.897 5.623 5.000 1.00 0.00 C ATOM 1254 OD1 ASP A 85 -7.949 5.206 6.178 1.00 0.00 O ATOM 1255 OD2 ASP A 85 -8.344 6.738 4.663 1.00 0.00 O ATOM 0 H ASP A 85 -4.883 2.649 3.870 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.074 3.699 5.370 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.456 5.294 3.448 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.999 4.511 3.171 1.00 0.00 H new ATOM 1260 N PRO A 86 -7.553 1.751 6.061 1.00 0.00 N ATOM 1261 CA PRO A 86 -8.540 0.869 6.677 1.00 0.00 C ATOM 1262 C PRO A 86 -9.532 1.645 7.535 1.00 0.00 C ATOM 1263 O PRO A 86 -10.510 1.091 8.034 1.00 0.00 O ATOM 1264 CB PRO A 86 -7.701 -0.079 7.551 1.00 0.00 C ATOM 1265 CG PRO A 86 -6.272 0.225 7.232 1.00 0.00 C ATOM 1266 CD PRO A 86 -6.247 1.632 6.716 1.00 0.00 C ATOM 0 HA PRO A 86 -9.140 0.347 5.932 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.907 0.081 8.609 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -7.936 -1.121 7.334 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -5.646 0.125 8.118 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -5.884 -0.469 6.487 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.129 2.358 7.521 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.426 1.794 6.017 1.00 0.00 H new ATOM 1274 N GLU A 87 -9.272 2.934 7.711 1.00 0.00 N ATOM 1275 CA GLU A 87 -10.161 3.786 8.475 1.00 0.00 C ATOM 1276 C GLU A 87 -11.131 4.484 7.539 1.00 0.00 C ATOM 1277 O GLU A 87 -12.214 4.907 7.951 1.00 0.00 O ATOM 1278 CB GLU A 87 -9.364 4.819 9.270 1.00 0.00 C ATOM 1279 CG GLU A 87 -8.371 4.201 10.239 1.00 0.00 C ATOM 1280 CD GLU A 87 -7.728 5.233 11.136 1.00 0.00 C ATOM 1281 OE1 GLU A 87 -8.378 5.660 12.110 1.00 0.00 O ATOM 1282 OE2 GLU A 87 -6.576 5.633 10.872 1.00 0.00 O ATOM 0 H GLU A 87 -8.452 3.408 7.333 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.720 3.168 9.178 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.828 5.466 8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.056 5.452 9.825 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.880 3.457 10.852 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.597 3.677 9.678 1.00 0.00 H new ATOM 1289 N ASN A 88 -10.722 4.583 6.278 1.00 0.00 N ATOM 1290 CA ASN A 88 -11.511 5.225 5.233 1.00 0.00 C ATOM 1291 C ASN A 88 -11.772 6.683 5.592 1.00 0.00 C ATOM 1292 O ASN A 88 -12.890 7.074 5.938 1.00 0.00 O ATOM 1293 CB ASN A 88 -12.827 4.473 4.989 1.00 0.00 C ATOM 1294 CG ASN A 88 -13.559 4.963 3.753 1.00 0.00 C ATOM 1295 OD1 ASN A 88 -14.376 5.883 3.817 1.00 0.00 O ATOM 1296 ND2 ASN A 88 -13.279 4.344 2.618 1.00 0.00 N ATOM 0 H ASN A 88 -9.828 4.217 5.951 1.00 0.00 H new ATOM 0 HA ASN A 88 -10.941 5.194 4.305 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -12.619 3.408 4.885 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.473 4.588 5.859 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -13.746 4.624 1.756 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -12.596 3.586 2.605 1.00 0.00 H new ATOM 1303 N ALA A 89 -10.714 7.471 5.561 1.00 0.00 N ATOM 1304 CA ALA A 89 -10.804 8.890 5.838 1.00 0.00 C ATOM 1305 C ALA A 89 -10.992 9.656 4.541 1.00 0.00 C ATOM 1306 O ALA A 89 -11.597 10.730 4.514 1.00 0.00 O ATOM 1307 CB ALA A 89 -9.559 9.362 6.572 1.00 0.00 C ATOM 0 H ALA A 89 -9.772 7.146 5.344 1.00 0.00 H new ATOM 0 HA ALA A 89 -11.666 9.077 6.479 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.639 10.430 6.774 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.464 8.820 7.513 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.680 9.174 5.955 1.00 0.00 H new ATOM 1313 N VAL A 90 -10.470 9.091 3.463 1.00 0.00 N ATOM 1314 CA VAL A 90 -10.639 9.664 2.140 1.00 0.00 C ATOM 1315 C VAL A 90 -11.636 8.822 1.349 1.00 0.00 C ATOM 1316 O VAL A 90 -11.586 7.592 1.393 1.00 0.00 O ATOM 1317 CB VAL A 90 -9.299 9.734 1.370 1.00 0.00 C ATOM 1318 CG1 VAL A 90 -9.395 10.735 0.230 1.00 0.00 C ATOM 1319 CG2 VAL A 90 -8.144 10.078 2.305 1.00 0.00 C ATOM 0 H VAL A 90 -9.923 8.231 3.481 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.011 10.682 2.258 1.00 0.00 H new ATOM 0 HB VAL A 90 -9.097 8.750 0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.444 10.773 -0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.184 10.429 -0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.626 11.722 0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -7.215 10.120 1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.329 11.046 2.770 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.061 9.314 3.078 1.00 0.00 H new ATOM 1329 N ASN A 91 -12.565 9.475 0.665 1.00 0.00 N ATOM 1330 CA ASN A 91 -13.546 8.763 -0.145 1.00 0.00 C ATOM 1331 C ASN A 91 -12.949 8.416 -1.499 1.00 0.00 C ATOM 1332 O ASN A 91 -12.678 9.297 -2.314 1.00 0.00 O ATOM 1333 CB ASN A 91 -14.820 9.591 -0.330 1.00 0.00 C ATOM 1334 CG ASN A 91 -15.878 8.857 -1.141 1.00 0.00 C ATOM 1335 OD1 ASN A 91 -15.962 7.626 -1.113 1.00 0.00 O ATOM 1336 ND2 ASN A 91 -16.698 9.605 -1.860 1.00 0.00 N ATOM 0 H ASN A 91 -12.661 10.490 0.654 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.814 7.845 0.378 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -15.229 9.847 0.648 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -14.571 10.529 -0.827 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -17.432 9.167 -2.417 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -16.597 10.620 -1.857 1.00 0.00 H new ATOM 1343 N GLU A 92 -12.745 7.127 -1.722 1.00 0.00 N ATOM 1344 CA GLU A 92 -12.110 6.647 -2.936 1.00 0.00 C ATOM 1345 C GLU A 92 -13.135 6.131 -3.934 1.00 0.00 C ATOM 1346 O GLU A 92 -14.331 6.058 -3.633 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.128 5.526 -2.605 1.00 0.00 C ATOM 1348 CG GLU A 92 -10.043 5.936 -1.629 1.00 0.00 C ATOM 1349 CD GLU A 92 -9.211 7.079 -2.155 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -8.654 6.943 -3.260 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -9.103 8.108 -1.463 1.00 0.00 O ATOM 0 H GLU A 92 -13.013 6.390 -1.070 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.580 7.487 -3.385 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.679 4.683 -2.189 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.663 5.178 -3.527 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.498 6.225 -0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -9.397 5.082 -1.425 1.00 0.00 H new ATOM 1358 N GLY A 93 -12.649 5.796 -5.123 1.00 0.00 N ATOM 1359 CA GLY A 93 -13.466 5.169 -6.144 1.00 0.00 C ATOM 1360 C GLY A 93 -14.089 3.867 -5.671 1.00 0.00 C ATOM 1361 O GLY A 93 -15.104 3.867 -4.978 1.00 0.00 O ATOM 0 H GLY A 93 -11.680 5.952 -5.402 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.255 5.857 -6.447 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.855 4.977 -7.026 1.00 0.00 H new ATOM 1365 N ASN A 94 -13.503 2.753 -6.075 1.00 0.00 N ATOM 1366 CA ASN A 94 -14.013 1.445 -5.679 1.00 0.00 C ATOM 1367 C ASN A 94 -13.238 0.928 -4.479 1.00 0.00 C ATOM 1368 O ASN A 94 -12.016 1.012 -4.449 1.00 0.00 O ATOM 1369 CB ASN A 94 -13.897 0.437 -6.827 1.00 0.00 C ATOM 1370 CG ASN A 94 -14.589 0.892 -8.098 1.00 0.00 C ATOM 1371 OD1 ASN A 94 -15.560 1.650 -8.058 1.00 0.00 O ATOM 1372 ND2 ASN A 94 -14.098 0.425 -9.234 1.00 0.00 N ATOM 0 H ASN A 94 -12.678 2.724 -6.674 1.00 0.00 H new ATOM 0 HA ASN A 94 -15.065 1.559 -5.419 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -12.843 0.259 -7.039 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -14.324 -0.515 -6.510 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -14.525 0.690 -10.121 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -13.292 -0.201 -9.222 1.00 0.00 H new ATOM 1379 N GLU A 95 -13.943 0.392 -3.492 1.00 0.00 N ATOM 1380 CA GLU A 95 -13.291 -0.179 -2.314 1.00 0.00 C ATOM 1381 C GLU A 95 -12.377 -1.337 -2.712 1.00 0.00 C ATOM 1382 O GLU A 95 -11.361 -1.596 -2.068 1.00 0.00 O ATOM 1383 CB GLU A 95 -14.331 -0.654 -1.299 1.00 0.00 C ATOM 1384 CG GLU A 95 -13.720 -1.215 -0.024 1.00 0.00 C ATOM 1385 CD GLU A 95 -14.762 -1.662 0.974 1.00 0.00 C ATOM 1386 OE1 GLU A 95 -15.192 -0.831 1.798 1.00 0.00 O ATOM 1387 OE2 GLU A 95 -15.153 -2.845 0.943 1.00 0.00 O ATOM 0 H GLU A 95 -14.962 0.339 -3.480 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.685 0.600 -1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -14.985 0.180 -1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -14.955 -1.419 -1.761 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.077 -2.059 -0.275 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.086 -0.456 0.434 1.00 0.00 H new ATOM 1394 N SER A 96 -12.734 -2.014 -3.798 1.00 0.00 N ATOM 1395 CA SER A 96 -11.941 -3.121 -4.313 1.00 0.00 C ATOM 1396 C SER A 96 -10.584 -2.623 -4.810 1.00 0.00 C ATOM 1397 O SER A 96 -9.626 -3.389 -4.928 1.00 0.00 O ATOM 1398 CB SER A 96 -12.698 -3.800 -5.451 1.00 0.00 C ATOM 1399 OG SER A 96 -14.058 -4.007 -5.100 1.00 0.00 O ATOM 0 H SER A 96 -13.574 -1.812 -4.341 1.00 0.00 H new ATOM 0 HA SER A 96 -11.770 -3.839 -3.511 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.639 -3.186 -6.350 1.00 0.00 H new ATOM 0 HB3 SER A 96 -12.229 -4.755 -5.686 1.00 0.00 H new ATOM 0 HG SER A 96 -14.525 -4.442 -5.844 1.00 0.00 H new ATOM 1405 N ASN A 97 -10.514 -1.325 -5.075 1.00 0.00 N ATOM 1406 CA ASN A 97 -9.304 -0.700 -5.591 1.00 0.00 C ATOM 1407 C ASN A 97 -8.320 -0.415 -4.464 1.00 0.00 C ATOM 1408 O ASN A 97 -7.122 -0.299 -4.694 1.00 0.00 O ATOM 1409 CB ASN A 97 -9.655 0.601 -6.324 1.00 0.00 C ATOM 1410 CG ASN A 97 -10.317 0.361 -7.670 1.00 0.00 C ATOM 1411 OD1 ASN A 97 -10.934 -0.680 -7.900 1.00 0.00 O ATOM 1412 ND2 ASN A 97 -10.224 1.334 -8.562 1.00 0.00 N ATOM 0 H ASN A 97 -11.291 -0.678 -4.939 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.834 -1.389 -6.292 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.320 1.196 -5.699 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -8.747 1.186 -6.470 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.671 1.235 -9.473 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.705 2.183 -8.338 1.00 0.00 H new ATOM 1419 N ASN A 98 -8.837 -0.336 -3.242 1.00 0.00 N ATOM 1420 CA ASN A 98 -8.018 -0.017 -2.072 1.00 0.00 C ATOM 1421 C ASN A 98 -7.220 -1.228 -1.605 1.00 0.00 C ATOM 1422 O ASN A 98 -6.409 -1.129 -0.686 1.00 0.00 O ATOM 1423 CB ASN A 98 -8.894 0.474 -0.914 1.00 0.00 C ATOM 1424 CG ASN A 98 -9.572 1.799 -1.196 1.00 0.00 C ATOM 1425 OD1 ASN A 98 -8.944 2.887 -0.773 1.00 0.00 O flip ATOM 1426 ND2 ASN A 98 -10.662 1.842 -1.762 1.00 0.00 N flip ATOM 0 H ASN A 98 -9.824 -0.489 -3.033 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.327 0.771 -2.371 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.654 -0.277 -0.699 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.280 0.571 -0.019 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.110 0.980 -2.071 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -11.118 2.740 -1.922 1.00 0.00 H new ATOM 1433 N THR A 99 -7.448 -2.371 -2.234 1.00 0.00 N ATOM 1434 CA THR A 99 -6.816 -3.606 -1.804 1.00 0.00 C ATOM 1435 C THR A 99 -5.774 -4.080 -2.818 1.00 0.00 C ATOM 1436 O THR A 99 -5.844 -3.751 -4.002 1.00 0.00 O ATOM 1437 CB THR A 99 -7.866 -4.717 -1.607 1.00 0.00 C ATOM 1438 OG1 THR A 99 -9.039 -4.175 -0.984 1.00 0.00 O ATOM 1439 CG2 THR A 99 -7.320 -5.843 -0.743 1.00 0.00 C ATOM 0 H THR A 99 -8.064 -2.468 -3.041 1.00 0.00 H new ATOM 0 HA THR A 99 -6.320 -3.400 -0.856 1.00 0.00 H new ATOM 0 HB THR A 99 -8.116 -5.119 -2.589 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.703 -4.885 -0.863 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.083 -6.612 -0.622 1.00 0.00 H new ATOM 0 HG22 THR A 99 -6.442 -6.276 -1.222 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.043 -5.450 0.235 1.00 0.00 H new ATOM 1447 N LEU A 100 -4.811 -4.843 -2.329 1.00 0.00 N ATOM 1448 CA LEU A 100 -3.797 -5.467 -3.165 1.00 0.00 C ATOM 1449 C LEU A 100 -3.399 -6.806 -2.565 1.00 0.00 C ATOM 1450 O LEU A 100 -2.679 -6.854 -1.566 1.00 0.00 O ATOM 1451 CB LEU A 100 -2.561 -4.569 -3.297 1.00 0.00 C ATOM 1452 CG LEU A 100 -1.358 -5.204 -4.011 1.00 0.00 C ATOM 1453 CD1 LEU A 100 -1.664 -5.464 -5.479 1.00 0.00 C ATOM 1454 CD2 LEU A 100 -0.128 -4.323 -3.872 1.00 0.00 C ATOM 0 H LEU A 100 -4.709 -5.049 -1.335 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.215 -5.618 -4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.846 -3.665 -3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.249 -4.261 -2.299 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.154 -6.163 -3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.794 -5.914 -5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.513 -6.142 -5.559 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.904 -4.522 -5.973 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.714 -4.790 -4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.327 -3.347 -4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.113 -4.199 -2.816 1.00 0.00 H new ATOM 1466 N THR A 101 -3.892 -7.882 -3.151 1.00 0.00 N ATOM 1467 CA THR A 101 -3.553 -9.217 -2.692 1.00 0.00 C ATOM 1468 C THR A 101 -2.318 -9.716 -3.431 1.00 0.00 C ATOM 1469 O THR A 101 -2.415 -10.214 -4.553 1.00 0.00 O ATOM 1470 CB THR A 101 -4.717 -10.204 -2.917 1.00 0.00 C ATOM 1471 OG1 THR A 101 -5.950 -9.609 -2.489 1.00 0.00 O ATOM 1472 CG2 THR A 101 -4.487 -11.500 -2.150 1.00 0.00 C ATOM 0 H THR A 101 -4.529 -7.857 -3.947 1.00 0.00 H new ATOM 0 HA THR A 101 -3.353 -9.163 -1.622 1.00 0.00 H new ATOM 0 HB THR A 101 -4.769 -10.433 -3.981 1.00 0.00 H new ATOM 0 HG1 THR A 101 -6.686 -10.239 -2.636 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.321 -12.179 -2.325 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.562 -11.966 -2.491 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.413 -11.284 -1.084 1.00 0.00 H new ATOM 1480 N ALA A 102 -1.161 -9.556 -2.814 1.00 0.00 N ATOM 1481 CA ALA A 102 0.089 -9.930 -3.448 1.00 0.00 C ATOM 1482 C ALA A 102 0.752 -11.072 -2.701 1.00 0.00 C ATOM 1483 O ALA A 102 1.045 -10.969 -1.508 1.00 0.00 O ATOM 1484 CB ALA A 102 1.021 -8.731 -3.530 1.00 0.00 C ATOM 0 H ALA A 102 -1.062 -9.170 -1.875 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.129 -10.269 -4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.955 -9.028 -4.008 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.548 -7.942 -4.115 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.229 -8.362 -2.525 1.00 0.00 H new ATOM 1490 N LEU A 103 0.971 -12.168 -3.401 1.00 0.00 N ATOM 1491 CA LEU A 103 1.639 -13.313 -2.821 1.00 0.00 C ATOM 1492 C LEU A 103 3.138 -13.164 -2.950 1.00 0.00 C ATOM 1493 O LEU A 103 3.672 -13.039 -4.054 1.00 0.00 O ATOM 1494 CB LEU A 103 1.185 -14.607 -3.486 1.00 0.00 C ATOM 1495 CG LEU A 103 -0.268 -14.982 -3.232 1.00 0.00 C ATOM 1496 CD1 LEU A 103 -0.620 -16.258 -3.970 1.00 0.00 C ATOM 1497 CD2 LEU A 103 -0.523 -15.140 -1.742 1.00 0.00 C ATOM 0 H LEU A 103 0.694 -12.288 -4.375 1.00 0.00 H new ATOM 0 HA LEU A 103 1.373 -13.360 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.340 -14.520 -4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.821 -15.420 -3.137 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.904 -14.180 -3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.662 -16.513 -3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.473 -16.112 -5.040 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.022 -17.068 -3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.567 -15.408 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.120 -15.925 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.306 -14.200 -1.234 1.00 0.00 H new ATOM 1509 N VAL A 104 3.810 -13.176 -1.823 1.00 0.00 N ATOM 1510 CA VAL A 104 5.250 -13.042 -1.807 1.00 0.00 C ATOM 1511 C VAL A 104 5.883 -14.354 -1.366 1.00 0.00 C ATOM 1512 O VAL A 104 5.394 -15.019 -0.447 1.00 0.00 O ATOM 1513 CB VAL A 104 5.722 -11.875 -0.901 1.00 0.00 C ATOM 1514 CG1 VAL A 104 5.063 -10.569 -1.320 1.00 0.00 C ATOM 1515 CG2 VAL A 104 5.442 -12.155 0.563 1.00 0.00 C ATOM 0 H VAL A 104 3.383 -13.277 -0.902 1.00 0.00 H new ATOM 0 HA VAL A 104 5.573 -12.804 -2.820 1.00 0.00 H new ATOM 0 HB VAL A 104 6.801 -11.783 -1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.408 -9.763 -0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.328 -10.343 -2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.980 -10.664 -1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 104 5.787 -11.315 1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.370 -12.291 0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.968 -13.060 0.867 1.00 0.00 H new ATOM 1525 N GLY A 105 6.945 -14.741 -2.044 1.00 0.00 N ATOM 1526 CA GLY A 105 7.584 -15.996 -1.748 1.00 0.00 C ATOM 1527 C GLY A 105 8.899 -15.786 -1.054 1.00 0.00 C ATOM 1528 O GLY A 105 9.284 -14.652 -0.774 1.00 0.00 O ATOM 0 H GLY A 105 7.377 -14.205 -2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.930 -16.600 -1.119 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.742 -16.553 -2.671 1.00 0.00 H new ATOM 1532 N THR A 106 9.595 -16.862 -0.774 1.00 0.00 N ATOM 1533 CA THR A 106 10.889 -16.763 -0.145 1.00 0.00 C ATOM 1534 C THR A 106 11.963 -16.476 -1.186 1.00 0.00 C ATOM 1535 O THR A 106 11.788 -16.782 -2.366 1.00 0.00 O ATOM 1536 CB THR A 106 11.225 -18.046 0.629 1.00 0.00 C ATOM 1537 OG1 THR A 106 11.018 -19.197 -0.204 1.00 0.00 O ATOM 1538 CG2 THR A 106 10.364 -18.152 1.878 1.00 0.00 C ATOM 0 H THR A 106 9.287 -17.814 -0.972 1.00 0.00 H new ATOM 0 HA THR A 106 10.858 -15.937 0.566 1.00 0.00 H new ATOM 0 HB THR A 106 12.273 -18.006 0.926 1.00 0.00 H new ATOM 0 HG1 THR A 106 11.237 -20.009 0.299 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.614 -19.067 2.416 1.00 0.00 H new ATOM 0 HG22 THR A 106 10.548 -17.291 2.521 1.00 0.00 H new ATOM 0 HG23 THR A 106 9.312 -18.174 1.594 1.00 0.00 H new ATOM 1546 N LEU A 107 13.045 -15.849 -0.746 1.00 0.00 N ATOM 1547 CA LEU A 107 14.161 -15.516 -1.619 1.00 0.00 C ATOM 1548 C LEU A 107 14.629 -16.754 -2.380 1.00 0.00 C ATOM 1549 O LEU A 107 15.023 -17.750 -1.774 1.00 0.00 O ATOM 1550 CB LEU A 107 15.307 -14.932 -0.790 1.00 0.00 C ATOM 1551 CG LEU A 107 16.446 -14.302 -1.592 1.00 0.00 C ATOM 1552 CD1 LEU A 107 15.928 -13.150 -2.440 1.00 0.00 C ATOM 1553 CD2 LEU A 107 17.541 -13.821 -0.655 1.00 0.00 C ATOM 0 H LEU A 107 13.173 -15.558 0.223 1.00 0.00 H new ATOM 0 HA LEU A 107 13.835 -14.772 -2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 107 14.898 -14.177 -0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 107 15.721 -15.724 -0.165 1.00 0.00 H new ATOM 0 HG LEU A 107 16.862 -15.057 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 107 16.753 -12.714 -3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 107 15.171 -13.519 -3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 107 15.489 -12.391 -1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 107 18.347 -13.374 -1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 107 17.133 -13.078 0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 107 17.929 -14.665 -0.086 1.00 0.00 H new ATOM 1565 N GLU A 108 14.552 -16.684 -3.707 1.00 0.00 N ATOM 1566 CA GLU A 108 14.897 -17.810 -4.565 1.00 0.00 C ATOM 1567 C GLU A 108 16.336 -18.249 -4.331 1.00 0.00 C ATOM 1568 O GLU A 108 16.607 -19.426 -4.093 1.00 0.00 O ATOM 1569 CB GLU A 108 14.715 -17.429 -6.035 1.00 0.00 C ATOM 1570 CG GLU A 108 14.883 -18.598 -6.990 1.00 0.00 C ATOM 1571 CD GLU A 108 15.014 -18.162 -8.433 1.00 0.00 C ATOM 1572 OE1 GLU A 108 14.209 -17.323 -8.884 1.00 0.00 O ATOM 1573 OE2 GLU A 108 15.933 -18.648 -9.122 1.00 0.00 O ATOM 0 H GLU A 108 14.251 -15.851 -4.213 1.00 0.00 H new ATOM 0 HA GLU A 108 14.232 -18.638 -4.318 1.00 0.00 H new ATOM 0 HB2 GLU A 108 13.722 -16.999 -6.170 1.00 0.00 H new ATOM 0 HB3 GLU A 108 15.436 -16.653 -6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 108 15.767 -19.169 -6.706 1.00 0.00 H new ATOM 0 HG3 GLU A 108 14.027 -19.266 -6.893 1.00 0.00 H new ATOM 1580 N HIS A 109 17.251 -17.292 -4.398 1.00 0.00 N ATOM 1581 CA HIS A 109 18.663 -17.574 -4.207 1.00 0.00 C ATOM 1582 C HIS A 109 19.016 -17.491 -2.731 1.00 0.00 C ATOM 1583 O HIS A 109 19.010 -16.412 -2.136 1.00 0.00 O ATOM 1584 CB HIS A 109 19.524 -16.605 -5.020 1.00 0.00 C ATOM 1585 CG HIS A 109 19.301 -16.708 -6.498 1.00 0.00 C ATOM 1586 ND1 HIS A 109 18.407 -15.909 -7.179 1.00 0.00 N ATOM 1587 CD2 HIS A 109 19.850 -17.528 -7.426 1.00 0.00 C ATOM 1588 CE1 HIS A 109 18.415 -16.232 -8.457 1.00 0.00 C ATOM 1589 NE2 HIS A 109 19.280 -17.210 -8.635 1.00 0.00 N ATOM 0 H HIS A 109 17.038 -16.312 -4.584 1.00 0.00 H new ATOM 0 HA HIS A 109 18.866 -18.585 -4.560 1.00 0.00 H new ATOM 0 HB2 HIS A 109 19.313 -15.585 -4.698 1.00 0.00 H new ATOM 0 HB3 HIS A 109 20.575 -16.796 -4.804 1.00 0.00 H new ATOM 0 HD2 HIS A 109 20.596 -18.289 -7.249 1.00 0.00 H new ATOM 0 HE1 HIS A 109 17.814 -15.773 -9.228 1.00 0.00 H new ATOM 0 HE2 HIS A 109 19.492 -17.658 -9.526 1.00 0.00 H new ATOM 1598 N HIS A 110 19.323 -18.637 -2.153 1.00 0.00 N ATOM 1599 CA HIS A 110 19.587 -18.738 -0.727 1.00 0.00 C ATOM 1600 C HIS A 110 20.948 -18.166 -0.367 1.00 0.00 C ATOM 1601 O HIS A 110 21.980 -18.708 -0.762 1.00 0.00 O ATOM 1602 CB HIS A 110 19.522 -20.196 -0.271 1.00 0.00 C ATOM 1603 CG HIS A 110 18.135 -20.719 -0.072 1.00 0.00 C ATOM 1604 ND1 HIS A 110 17.428 -21.375 -1.051 1.00 0.00 N ATOM 1605 CD2 HIS A 110 17.336 -20.704 1.019 1.00 0.00 C ATOM 1606 CE1 HIS A 110 16.254 -21.742 -0.571 1.00 0.00 C ATOM 1607 NE2 HIS A 110 16.171 -21.349 0.686 1.00 0.00 N ATOM 0 H HIS A 110 19.397 -19.522 -2.655 1.00 0.00 H new ATOM 0 HA HIS A 110 18.819 -18.157 -0.217 1.00 0.00 H new ATOM 0 HB2 HIS A 110 20.030 -20.818 -1.009 1.00 0.00 H new ATOM 0 HB3 HIS A 110 20.073 -20.297 0.664 1.00 0.00 H new ATOM 0 HD2 HIS A 110 17.572 -20.265 1.977 1.00 0.00 H new ATOM 0 HE1 HIS A 110 15.489 -22.275 -1.116 1.00 0.00 H new ATOM 0 HE2 HIS A 110 15.375 -21.499 1.306 1.00 0.00 H new ATOM 1616 N HIS A 111 20.950 -17.061 0.366 1.00 0.00 N ATOM 1617 CA HIS A 111 22.177 -16.565 0.969 1.00 0.00 C ATOM 1618 C HIS A 111 22.615 -17.554 2.035 1.00 0.00 C ATOM 1619 O HIS A 111 23.731 -18.069 2.006 1.00 0.00 O ATOM 1620 CB HIS A 111 21.972 -15.175 1.576 1.00 0.00 C ATOM 1621 CG HIS A 111 23.202 -14.621 2.233 1.00 0.00 C ATOM 1622 ND1 HIS A 111 23.323 -14.467 3.597 1.00 0.00 N ATOM 1623 CD2 HIS A 111 24.365 -14.179 1.702 1.00 0.00 C ATOM 1624 CE1 HIS A 111 24.505 -13.953 3.875 1.00 0.00 C ATOM 1625 NE2 HIS A 111 25.159 -13.769 2.744 1.00 0.00 N ATOM 0 H HIS A 111 20.122 -16.496 0.556 1.00 0.00 H new ATOM 0 HA HIS A 111 22.948 -16.471 0.204 1.00 0.00 H new ATOM 0 HB2 HIS A 111 21.648 -14.490 0.793 1.00 0.00 H new ATOM 0 HB3 HIS A 111 21.168 -15.223 2.310 1.00 0.00 H new ATOM 0 HD2 HIS A 111 24.621 -14.153 0.653 1.00 0.00 H new ATOM 0 HE1 HIS A 111 24.876 -13.721 4.863 1.00 0.00 H new ATOM 0 HE2 HIS A 111 26.100 -13.385 2.658 1.00 0.00 H new ATOM 1634 N HIS A 112 21.719 -17.811 2.977 1.00 0.00 N ATOM 1635 CA HIS A 112 21.881 -18.920 3.896 1.00 0.00 C ATOM 1636 C HIS A 112 21.080 -20.090 3.345 1.00 0.00 C ATOM 1637 O HIS A 112 19.851 -20.043 3.301 1.00 0.00 O ATOM 1638 CB HIS A 112 21.407 -18.547 5.305 1.00 0.00 C ATOM 1639 CG HIS A 112 21.877 -19.493 6.368 1.00 0.00 C ATOM 1640 ND1 HIS A 112 21.034 -20.086 7.284 1.00 0.00 N ATOM 1641 CD2 HIS A 112 23.121 -19.933 6.672 1.00 0.00 C ATOM 1642 CE1 HIS A 112 21.739 -20.846 8.102 1.00 0.00 C ATOM 1643 NE2 HIS A 112 23.006 -20.770 7.750 1.00 0.00 N ATOM 0 H HIS A 112 20.871 -17.263 3.122 1.00 0.00 H new ATOM 0 HA HIS A 112 22.935 -19.186 3.982 1.00 0.00 H new ATOM 0 HB2 HIS A 112 21.758 -17.543 5.543 1.00 0.00 H new ATOM 0 HB3 HIS A 112 20.318 -18.514 5.316 1.00 0.00 H new ATOM 0 HD2 HIS A 112 24.035 -19.672 6.159 1.00 0.00 H new ATOM 0 HE1 HIS A 112 21.344 -21.430 8.920 1.00 0.00 H new ATOM 0 HE2 HIS A 112 23.777 -21.256 8.207 1.00 0.00 H new ATOM 1652 N HIS A 113 21.783 -21.115 2.895 1.00 0.00 N ATOM 1653 CA HIS A 113 21.166 -22.208 2.147 1.00 0.00 C ATOM 1654 C HIS A 113 20.131 -22.953 2.981 1.00 0.00 C ATOM 1655 O HIS A 113 19.063 -23.308 2.484 1.00 0.00 O ATOM 1656 CB HIS A 113 22.238 -23.171 1.630 1.00 0.00 C ATOM 1657 CG HIS A 113 23.202 -22.528 0.677 1.00 0.00 C ATOM 1658 ND1 HIS A 113 22.942 -22.375 -0.663 1.00 0.00 N ATOM 1659 CD2 HIS A 113 24.418 -21.970 0.885 1.00 0.00 C ATOM 1660 CE1 HIS A 113 23.953 -21.753 -1.239 1.00 0.00 C ATOM 1661 NE2 HIS A 113 24.864 -21.492 -0.321 1.00 0.00 N ATOM 0 H HIS A 113 22.788 -21.217 3.034 1.00 0.00 H new ATOM 0 HA HIS A 113 20.643 -21.772 1.296 1.00 0.00 H new ATOM 0 HB2 HIS A 113 22.791 -23.577 2.477 1.00 0.00 H new ATOM 0 HB3 HIS A 113 21.753 -24.012 1.134 1.00 0.00 H new ATOM 0 HD2 HIS A 113 24.941 -21.912 1.828 1.00 0.00 H new ATOM 0 HE1 HIS A 113 24.023 -21.500 -2.287 1.00 0.00 H new ATOM 0 HE2 HIS A 113 25.751 -21.015 -0.481 1.00 0.00 H new ATOM 1670 N HIS A 114 20.444 -23.175 4.245 1.00 0.00 N ATOM 1671 CA HIS A 114 19.530 -23.846 5.158 1.00 0.00 C ATOM 1672 C HIS A 114 19.933 -23.552 6.593 1.00 0.00 C ATOM 1673 O HIS A 114 19.070 -23.122 7.381 1.00 0.00 O ATOM 1674 CB HIS A 114 19.492 -25.363 4.905 1.00 0.00 C ATOM 1675 CG HIS A 114 20.813 -26.054 5.064 1.00 0.00 C ATOM 1676 ND1 HIS A 114 21.208 -26.660 6.236 1.00 0.00 N ATOM 1677 CD2 HIS A 114 21.829 -26.236 4.189 1.00 0.00 C ATOM 1678 CE1 HIS A 114 22.407 -27.181 6.077 1.00 0.00 C ATOM 1679 NE2 HIS A 114 22.807 -26.938 4.845 1.00 0.00 N ATOM 1680 OXT HIS A 114 21.125 -23.719 6.918 1.00 0.00 O ATOM 0 H HIS A 114 21.331 -22.899 4.667 1.00 0.00 H new ATOM 0 HA HIS A 114 18.525 -23.462 4.981 1.00 0.00 H new ATOM 0 HB2 HIS A 114 18.775 -25.815 5.591 1.00 0.00 H new ATOM 0 HB3 HIS A 114 19.123 -25.541 3.895 1.00 0.00 H new ATOM 0 HD2 HIS A 114 21.863 -25.893 3.166 1.00 0.00 H new ATOM 0 HE1 HIS A 114 22.968 -27.717 6.829 1.00 0.00 H new ATOM 0 HE2 HIS A 114 23.700 -27.226 4.444 1.00 0.00 H new TER 1689 HIS A 114