USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 751 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 Single : A 1 GLY N :NH3+ 143:sc= 0.0399 (180deg=0) USER MOD Single : A 2 SER OG : rot -64:sc= 1.09 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -2.23 K(o=-2.2,f=-8.1!) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 10 ASN : amide:sc=-0.00975 X(o=-0.0098,f=-0.055) USER MOD Single : A 11 GLN : amide:sc= -0.0712 K(o=-0.071,f=-1.6!) USER MOD Single : A 12 THR OG1 : rot 35:sc= 0.501 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.437 X(o=-0.44,f=-0.52) USER MOD Single : A 15 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.104) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN : amide:sc=-0.00867 X(o=-0.0087,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -2.02 K(o=-2,f=-0.65) USER MOD Single : A 29 GLN : amide:sc= -0.238 K(o=-0.24,f=-2.1!) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HE2:sc= -4.66! C(o=-4.7!,f=-6.4!) USER MOD Single : A 35 ASN : amide:sc= -0.487 K(o=-0.49,f=1.2) USER MOD Single : A 42 LYS NZ :NH3+ 175:sc= 0.0894 (180deg=0.0617) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.173 K(o=-0.17,f=-0.78) USER MOD Single : A 50 THR OG1 : rot -79:sc= 0.82! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0784 X(o=-0.078,f=-0.39) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 CYS SG : rot 108:sc= -0.268 USER MOD Single : A 62 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-0.37) USER MOD Single : A 64 CYS SG : rot -60:sc= -2.62 USER MOD Single : A 65 ASN : amide:sc= -2.11! C(o=-2.1!,f=-2.8!) USER MOD Single : A 69 ASN : amide:sc= -0.244 X(o=-0.24,f=-0.072) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.684 X(o=-0.68,f=-0.33) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 145:sc= -0.2 (180deg=-1.78!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.0514 K(o=-0.051,f=-0.56) USER MOD Single : A 98 LYS NZ :NH3+ -135:sc=-0.00193 (180deg=-0.701) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0.0314 USER MOD Single : A 103 SER OG : rot 180:sc= -0.209 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.782 19.434 -16.163 1.00 0.00 N ATOM 2 CA GLY A 1 -30.310 18.722 -17.314 1.00 0.00 C ATOM 3 C GLY A 1 -29.383 17.576 -17.722 1.00 0.00 C ATOM 4 O GLY A 1 -28.165 17.674 -17.573 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.981 20.450 -16.262 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.232 19.076 -15.297 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.754 19.286 -16.105 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.299 18.329 -17.080 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.430 19.412 -18.149 1.00 0.00 H new ATOM 8 N SER A 2 -29.993 16.515 -18.229 1.00 0.00 N ATOM 9 CA SER A 2 -29.238 15.351 -18.660 1.00 0.00 C ATOM 10 C SER A 2 -28.985 15.420 -20.168 1.00 0.00 C ATOM 11 O SER A 2 -29.432 14.553 -20.916 1.00 0.00 O ATOM 12 CB SER A 2 -29.970 14.056 -18.304 1.00 0.00 C ATOM 13 OG SER A 2 -29.460 12.938 -19.027 1.00 0.00 O ATOM 0 H SER A 2 -31.003 16.437 -18.351 1.00 0.00 H new ATOM 0 HA SER A 2 -28.282 15.351 -18.137 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.877 13.869 -17.234 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.033 14.170 -18.516 1.00 0.00 H new ATOM 0 HG SER A 2 -29.620 13.068 -19.985 1.00 0.00 H new ATOM 19 N SER A 3 -28.268 16.461 -20.568 1.00 0.00 N ATOM 20 CA SER A 3 -27.951 16.654 -21.973 1.00 0.00 C ATOM 21 C SER A 3 -26.691 17.512 -22.111 1.00 0.00 C ATOM 22 O SER A 3 -25.760 17.143 -22.825 1.00 0.00 O ATOM 23 CB SER A 3 -29.119 17.303 -22.718 1.00 0.00 C ATOM 24 OG SER A 3 -29.756 18.311 -21.937 1.00 0.00 O ATOM 0 H SER A 3 -27.898 17.178 -19.944 1.00 0.00 H new ATOM 0 HA SER A 3 -27.769 15.677 -22.420 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.757 17.740 -23.649 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.848 16.538 -22.987 1.00 0.00 H new ATOM 0 HG SER A 3 -30.495 18.702 -22.448 1.00 0.00 H new ATOM 30 N GLY A 4 -26.703 18.640 -21.416 1.00 0.00 N ATOM 31 CA GLY A 4 -25.573 19.553 -21.453 1.00 0.00 C ATOM 32 C GLY A 4 -24.571 19.230 -20.343 1.00 0.00 C ATOM 33 O GLY A 4 -23.436 18.845 -20.620 1.00 0.00 O ATOM 0 H GLY A 4 -27.477 18.942 -20.824 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.080 19.488 -22.423 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.926 20.578 -21.343 1.00 0.00 H new ATOM 37 N SER A 5 -25.027 19.397 -19.110 1.00 0.00 N ATOM 38 CA SER A 5 -24.185 19.128 -17.958 1.00 0.00 C ATOM 39 C SER A 5 -22.851 19.864 -18.101 1.00 0.00 C ATOM 40 O SER A 5 -21.925 19.360 -18.735 1.00 0.00 O ATOM 41 CB SER A 5 -23.946 17.626 -17.788 1.00 0.00 C ATOM 42 OG SER A 5 -24.131 17.205 -16.439 1.00 0.00 O ATOM 0 H SER A 5 -25.969 19.715 -18.884 1.00 0.00 H new ATOM 0 HA SER A 5 -24.699 19.490 -17.068 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.627 17.075 -18.436 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.933 17.382 -18.108 1.00 0.00 H new ATOM 0 HG SER A 5 -23.971 16.240 -16.372 1.00 0.00 H new ATOM 48 N SER A 6 -22.795 21.044 -17.502 1.00 0.00 N ATOM 49 CA SER A 6 -21.590 21.855 -17.555 1.00 0.00 C ATOM 50 C SER A 6 -21.461 22.685 -16.276 1.00 0.00 C ATOM 51 O SER A 6 -21.930 23.821 -16.220 1.00 0.00 O ATOM 52 CB SER A 6 -21.594 22.768 -18.783 1.00 0.00 C ATOM 53 OG SER A 6 -20.274 23.099 -19.205 1.00 0.00 O ATOM 0 H SER A 6 -23.565 21.459 -16.977 1.00 0.00 H new ATOM 0 HA SER A 6 -20.732 21.188 -17.635 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.123 22.276 -19.599 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.141 23.682 -18.554 1.00 0.00 H new ATOM 0 HG SER A 6 -20.319 23.681 -19.992 1.00 0.00 H new ATOM 59 N GLY A 7 -20.823 22.086 -15.282 1.00 0.00 N ATOM 60 CA GLY A 7 -20.627 22.756 -14.007 1.00 0.00 C ATOM 61 C GLY A 7 -19.412 23.685 -14.058 1.00 0.00 C ATOM 62 O GLY A 7 -19.296 24.512 -14.961 1.00 0.00 O ATOM 0 H GLY A 7 -20.435 21.144 -15.333 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.518 23.330 -13.753 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.490 22.015 -13.220 1.00 0.00 H new ATOM 66 N ASN A 8 -18.538 23.518 -13.077 1.00 0.00 N ATOM 67 CA ASN A 8 -17.337 24.332 -12.998 1.00 0.00 C ATOM 68 C ASN A 8 -16.149 23.444 -12.621 1.00 0.00 C ATOM 69 O ASN A 8 -15.171 23.362 -13.363 1.00 0.00 O ATOM 70 CB ASN A 8 -17.475 25.416 -11.928 1.00 0.00 C ATOM 71 CG ASN A 8 -18.500 26.472 -12.346 1.00 0.00 C ATOM 72 OD1 ASN A 8 -19.390 26.229 -13.145 1.00 0.00 O ATOM 73 ND2 ASN A 8 -18.326 27.655 -11.764 1.00 0.00 N ATOM 0 H ASN A 8 -18.637 22.831 -12.330 1.00 0.00 H new ATOM 0 HA ASN A 8 -17.184 24.802 -13.969 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -17.778 24.963 -10.984 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -16.508 25.890 -11.758 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -18.958 28.426 -11.978 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -17.560 27.791 -11.104 1.00 0.00 H new ATOM 80 N GLN A 9 -16.272 22.802 -11.469 1.00 0.00 N ATOM 81 CA GLN A 9 -15.221 21.924 -10.985 1.00 0.00 C ATOM 82 C GLN A 9 -15.667 21.219 -9.702 1.00 0.00 C ATOM 83 O GLN A 9 -16.125 21.866 -8.762 1.00 0.00 O ATOM 84 CB GLN A 9 -13.920 22.697 -10.762 1.00 0.00 C ATOM 85 CG GLN A 9 -14.101 23.778 -9.694 1.00 0.00 C ATOM 86 CD GLN A 9 -12.865 24.676 -9.608 1.00 0.00 C ATOM 87 OE1 GLN A 9 -12.162 24.903 -10.579 1.00 0.00 O ATOM 88 NE2 GLN A 9 -12.640 25.173 -8.395 1.00 0.00 N ATOM 0 H GLN A 9 -17.084 22.873 -10.856 1.00 0.00 H new ATOM 0 HA GLN A 9 -15.029 21.166 -11.745 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -13.131 22.009 -10.458 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -13.600 23.155 -11.698 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -14.978 24.382 -9.927 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -14.284 23.311 -8.726 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -13.268 24.943 -7.625 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -11.839 25.784 -8.235 1.00 0.00 H new ATOM 97 N ASN A 10 -15.517 19.903 -9.705 1.00 0.00 N ATOM 98 CA ASN A 10 -15.899 19.103 -8.554 1.00 0.00 C ATOM 99 C ASN A 10 -14.681 18.907 -7.649 1.00 0.00 C ATOM 100 O ASN A 10 -13.861 18.022 -7.888 1.00 0.00 O ATOM 101 CB ASN A 10 -16.396 17.721 -8.983 1.00 0.00 C ATOM 102 CG ASN A 10 -17.899 17.578 -8.734 1.00 0.00 C ATOM 103 OD1 ASN A 10 -18.387 17.717 -7.624 1.00 0.00 O ATOM 104 ND2 ASN A 10 -18.603 17.293 -9.825 1.00 0.00 N ATOM 0 H ASN A 10 -15.136 19.370 -10.487 1.00 0.00 H new ATOM 0 HA ASN A 10 -16.699 19.627 -8.030 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -16.182 17.566 -10.041 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.857 16.950 -8.432 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -19.615 17.177 -9.763 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -18.132 17.190 -10.724 1.00 0.00 H new ATOM 111 N GLN A 11 -14.601 19.748 -6.628 1.00 0.00 N ATOM 112 CA GLN A 11 -13.497 19.678 -5.685 1.00 0.00 C ATOM 113 C GLN A 11 -13.930 20.214 -4.320 1.00 0.00 C ATOM 114 O GLN A 11 -14.503 21.299 -4.228 1.00 0.00 O ATOM 115 CB GLN A 11 -12.278 20.438 -6.212 1.00 0.00 C ATOM 116 CG GLN A 11 -11.023 19.565 -6.159 1.00 0.00 C ATOM 117 CD GLN A 11 -9.990 20.027 -7.189 1.00 0.00 C ATOM 118 OE1 GLN A 11 -10.178 20.999 -7.902 1.00 0.00 O ATOM 119 NE2 GLN A 11 -8.892 19.278 -7.228 1.00 0.00 N ATOM 0 H GLN A 11 -15.283 20.481 -6.433 1.00 0.00 H new ATOM 0 HA GLN A 11 -13.210 18.633 -5.568 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -12.460 20.758 -7.238 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.123 21.340 -5.620 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -10.589 19.606 -5.160 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -11.291 18.525 -6.348 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.798 18.477 -6.603 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.143 19.504 -7.883 1.00 0.00 H new ATOM 128 N THR A 12 -13.641 19.429 -3.292 1.00 0.00 N ATOM 129 CA THR A 12 -13.993 19.812 -1.935 1.00 0.00 C ATOM 130 C THR A 12 -12.756 20.306 -1.183 1.00 0.00 C ATOM 131 O THR A 12 -11.746 19.608 -1.114 1.00 0.00 O ATOM 132 CB THR A 12 -14.672 18.615 -1.268 1.00 0.00 C ATOM 133 OG1 THR A 12 -13.679 17.593 -1.293 1.00 0.00 O ATOM 134 CG2 THR A 12 -15.815 18.044 -2.111 1.00 0.00 C ATOM 0 H THR A 12 -13.167 18.529 -3.372 1.00 0.00 H new ATOM 0 HA THR A 12 -14.694 20.647 -1.928 1.00 0.00 H new ATOM 0 HB THR A 12 -15.055 18.914 -0.292 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.793 17.995 -1.178 1.00 0.00 H new ATOM 0 HG21 THR A 12 -16.262 17.197 -1.591 1.00 0.00 H new ATOM 0 HG22 THR A 12 -16.571 18.813 -2.268 1.00 0.00 H new ATOM 0 HG23 THR A 12 -15.427 17.715 -3.075 1.00 0.00 H new ATOM 142 N GLN A 13 -12.877 21.507 -0.636 1.00 0.00 N ATOM 143 CA GLN A 13 -11.781 22.104 0.109 1.00 0.00 C ATOM 144 C GLN A 13 -11.498 21.293 1.376 1.00 0.00 C ATOM 145 O GLN A 13 -12.185 21.448 2.384 1.00 0.00 O ATOM 146 CB GLN A 13 -12.080 23.565 0.450 1.00 0.00 C ATOM 147 CG GLN A 13 -10.803 24.406 0.427 1.00 0.00 C ATOM 148 CD GLN A 13 -10.819 25.459 1.536 1.00 0.00 C ATOM 149 OE1 GLN A 13 -10.551 25.183 2.694 1.00 0.00 O ATOM 150 NE2 GLN A 13 -11.148 26.679 1.120 1.00 0.00 N ATOM 0 H GLN A 13 -13.717 22.083 -0.694 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.890 22.087 -0.518 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.798 23.969 -0.263 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.541 23.625 1.436 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.935 23.758 0.548 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.703 24.895 -0.542 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.361 26.842 0.136 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.187 27.451 1.785 1.00 0.00 H new ATOM 159 N HIS A 14 -10.484 20.445 1.282 1.00 0.00 N ATOM 160 CA HIS A 14 -10.101 19.610 2.408 1.00 0.00 C ATOM 161 C HIS A 14 -8.737 18.972 2.134 1.00 0.00 C ATOM 162 O HIS A 14 -7.855 18.992 2.990 1.00 0.00 O ATOM 163 CB HIS A 14 -11.188 18.577 2.712 1.00 0.00 C ATOM 164 CG HIS A 14 -12.082 18.949 3.871 1.00 0.00 C ATOM 165 ND1 HIS A 14 -13.450 19.111 3.740 1.00 0.00 N ATOM 166 CD2 HIS A 14 -11.789 19.188 5.182 1.00 0.00 C ATOM 167 CE1 HIS A 14 -13.948 19.434 4.925 1.00 0.00 C ATOM 168 NE2 HIS A 14 -12.917 19.482 5.817 1.00 0.00 N ATOM 0 H HIS A 14 -9.916 20.318 0.444 1.00 0.00 H new ATOM 0 HA HIS A 14 -10.003 20.224 3.304 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -11.802 18.439 1.822 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -10.715 17.618 2.925 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -10.806 19.145 5.627 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -14.988 19.626 5.146 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.999 19.707 6.809 1.00 0.00 H new ATOM 176 N LYS A 15 -8.608 18.421 0.936 1.00 0.00 N ATOM 177 CA LYS A 15 -7.366 17.779 0.538 1.00 0.00 C ATOM 178 C LYS A 15 -7.009 18.208 -0.887 1.00 0.00 C ATOM 179 O LYS A 15 -7.893 18.413 -1.717 1.00 0.00 O ATOM 180 CB LYS A 15 -7.466 16.263 0.717 1.00 0.00 C ATOM 181 CG LYS A 15 -8.412 15.650 -0.318 1.00 0.00 C ATOM 182 CD LYS A 15 -9.782 15.357 0.297 1.00 0.00 C ATOM 183 CE LYS A 15 -9.787 14.001 1.005 1.00 0.00 C ATOM 184 NZ LYS A 15 -9.828 14.182 2.473 1.00 0.00 N ATOM 0 H LYS A 15 -9.342 18.406 0.228 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.547 18.100 1.182 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.477 15.816 0.621 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.823 16.034 1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.526 16.332 -1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.981 14.729 -0.710 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.041 16.143 1.007 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.544 15.367 -0.482 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.649 13.418 0.681 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.897 13.436 0.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.085 13.282 2.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.893 14.486 2.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.535 14.905 2.714 1.00 0.00 H new ATOM 198 N GLN A 16 -5.712 18.331 -1.126 1.00 0.00 N ATOM 199 CA GLN A 16 -5.227 18.731 -2.436 1.00 0.00 C ATOM 200 C GLN A 16 -4.778 17.506 -3.234 1.00 0.00 C ATOM 201 O GLN A 16 -4.664 16.411 -2.685 1.00 0.00 O ATOM 202 CB GLN A 16 -4.093 19.751 -2.313 1.00 0.00 C ATOM 203 CG GLN A 16 -4.607 21.173 -2.544 1.00 0.00 C ATOM 204 CD GLN A 16 -3.454 22.179 -2.545 1.00 0.00 C ATOM 205 OE1 GLN A 16 -2.945 22.580 -1.511 1.00 0.00 O ATOM 206 NE2 GLN A 16 -3.072 22.563 -3.760 1.00 0.00 N ATOM 0 H GLN A 16 -4.982 18.161 -0.435 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.046 19.210 -2.973 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.641 19.680 -1.324 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.312 19.521 -3.037 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.138 21.222 -3.495 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.323 21.436 -1.765 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.541 22.188 -4.584 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.310 23.232 -3.867 1.00 0.00 H new ATOM 215 N ARG A 17 -4.535 17.730 -4.517 1.00 0.00 N ATOM 216 CA ARG A 17 -4.101 16.658 -5.395 1.00 0.00 C ATOM 217 C ARG A 17 -5.186 15.584 -5.498 1.00 0.00 C ATOM 218 O ARG A 17 -5.940 15.366 -4.551 1.00 0.00 O ATOM 219 CB ARG A 17 -2.807 16.019 -4.887 1.00 0.00 C ATOM 220 CG ARG A 17 -1.635 16.339 -5.817 1.00 0.00 C ATOM 221 CD ARG A 17 -0.365 15.614 -5.368 1.00 0.00 C ATOM 222 NE ARG A 17 0.580 15.499 -6.501 1.00 0.00 N ATOM 223 CZ ARG A 17 1.730 14.814 -6.454 1.00 0.00 C ATOM 224 NH1 ARG A 17 2.086 14.178 -5.329 1.00 0.00 N ATOM 225 NH2 ARG A 17 2.526 14.764 -7.531 1.00 0.00 N ATOM 0 H ARG A 17 -4.631 18.639 -4.969 1.00 0.00 H new ATOM 0 HA ARG A 17 -3.917 17.090 -6.379 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.588 16.382 -3.883 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.934 14.939 -4.815 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.885 16.045 -6.837 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.459 17.415 -5.829 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.103 16.158 -4.547 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.616 14.622 -4.991 1.00 0.00 H new ATOM 0 HE ARG A 17 0.340 15.971 -7.373 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.481 14.216 -4.509 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.962 13.656 -5.293 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.256 15.248 -8.387 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.402 14.242 -7.494 1.00 0.00 H new ATOM 239 N PRO A 18 -5.230 14.924 -6.686 1.00 0.00 N ATOM 240 CA PRO A 18 -6.210 13.878 -6.925 1.00 0.00 C ATOM 241 C PRO A 18 -5.832 12.593 -6.186 1.00 0.00 C ATOM 242 O PRO A 18 -4.902 12.586 -5.381 1.00 0.00 O ATOM 243 CB PRO A 18 -6.244 13.707 -8.435 1.00 0.00 C ATOM 244 CG PRO A 18 -4.957 14.328 -8.953 1.00 0.00 C ATOM 245 CD PRO A 18 -4.353 15.155 -7.830 1.00 0.00 C ATOM 0 HA PRO A 18 -7.199 14.134 -6.545 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.307 12.654 -8.708 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.116 14.200 -8.864 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.261 13.553 -9.273 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.158 14.954 -9.822 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.331 14.844 -7.615 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.315 16.212 -8.093 1.00 0.00 H new ATOM 253 N GLN A 19 -6.571 11.535 -6.487 1.00 0.00 N ATOM 254 CA GLN A 19 -6.324 10.247 -5.862 1.00 0.00 C ATOM 255 C GLN A 19 -6.384 10.377 -4.338 1.00 0.00 C ATOM 256 O GLN A 19 -5.452 9.979 -3.641 1.00 0.00 O ATOM 257 CB GLN A 19 -4.982 9.668 -6.311 1.00 0.00 C ATOM 258 CG GLN A 19 -4.931 9.517 -7.832 1.00 0.00 C ATOM 259 CD GLN A 19 -4.275 8.193 -8.230 1.00 0.00 C ATOM 260 OE1 GLN A 19 -3.163 8.147 -8.731 1.00 0.00 O ATOM 261 NE2 GLN A 19 -5.023 7.122 -7.980 1.00 0.00 N ATOM 0 H GLN A 19 -7.341 11.544 -7.156 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.104 9.555 -6.179 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.172 10.318 -5.979 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.825 8.698 -5.840 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.941 9.564 -8.240 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.374 10.348 -8.265 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.945 7.231 -7.559 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.674 6.191 -8.210 1.00 0.00 H new ATOM 270 N ALA A 20 -7.489 10.935 -3.867 1.00 0.00 N ATOM 271 CA ALA A 20 -7.682 11.122 -2.439 1.00 0.00 C ATOM 272 C ALA A 20 -9.049 11.764 -2.193 1.00 0.00 C ATOM 273 O ALA A 20 -9.192 12.611 -1.312 1.00 0.00 O ATOM 274 CB ALA A 20 -6.534 11.961 -1.873 1.00 0.00 C ATOM 0 H ALA A 20 -8.260 11.264 -4.449 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.670 10.163 -1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.679 12.101 -0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.588 11.448 -2.047 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.516 12.933 -2.367 1.00 0.00 H new ATOM 280 N THR A 21 -10.019 11.337 -2.988 1.00 0.00 N ATOM 281 CA THR A 21 -11.369 11.860 -2.868 1.00 0.00 C ATOM 282 C THR A 21 -12.393 10.734 -3.021 1.00 0.00 C ATOM 283 O THR A 21 -12.982 10.287 -2.037 1.00 0.00 O ATOM 284 CB THR A 21 -11.537 12.978 -3.899 1.00 0.00 C ATOM 285 OG1 THR A 21 -10.891 14.100 -3.303 1.00 0.00 O ATOM 286 CG2 THR A 21 -12.993 13.423 -4.049 1.00 0.00 C ATOM 0 H THR A 21 -9.897 10.635 -3.718 1.00 0.00 H new ATOM 0 HA THR A 21 -11.542 12.282 -1.878 1.00 0.00 H new ATOM 0 HB THR A 21 -11.160 12.641 -4.864 1.00 0.00 H new ATOM 0 HG1 THR A 21 -10.951 14.870 -3.906 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.056 14.218 -4.792 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.601 12.577 -4.370 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.361 13.792 -3.092 1.00 0.00 H new ATOM 294 N ALA A 22 -12.574 10.306 -4.262 1.00 0.00 N ATOM 295 CA ALA A 22 -13.516 9.240 -4.556 1.00 0.00 C ATOM 296 C ALA A 22 -12.774 7.902 -4.582 1.00 0.00 C ATOM 297 O ALA A 22 -13.188 6.946 -3.928 1.00 0.00 O ATOM 298 CB ALA A 22 -14.228 9.538 -5.877 1.00 0.00 C ATOM 0 H ALA A 22 -12.084 10.678 -5.075 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.280 9.178 -3.781 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.935 8.738 -6.098 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.764 10.484 -5.796 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.493 9.605 -6.679 1.00 0.00 H new ATOM 304 N GLU A 23 -11.691 7.877 -5.345 1.00 0.00 N ATOM 305 CA GLU A 23 -10.887 6.673 -5.465 1.00 0.00 C ATOM 306 C GLU A 23 -10.683 6.032 -4.091 1.00 0.00 C ATOM 307 O GLU A 23 -11.056 4.879 -3.877 1.00 0.00 O ATOM 308 CB GLU A 23 -9.545 6.973 -6.135 1.00 0.00 C ATOM 309 CG GLU A 23 -9.217 5.925 -7.200 1.00 0.00 C ATOM 310 CD GLU A 23 -9.628 6.410 -8.592 1.00 0.00 C ATOM 311 OE1 GLU A 23 -9.101 7.466 -9.003 1.00 0.00 O ATOM 312 OE2 GLU A 23 -10.459 5.713 -9.213 1.00 0.00 O ATOM 0 H GLU A 23 -11.352 8.672 -5.886 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.421 5.965 -6.099 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.575 7.963 -6.591 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.756 6.992 -5.384 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.148 5.710 -7.187 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.733 4.993 -6.969 1.00 0.00 H new ATOM 319 N GLN A 24 -10.091 6.807 -3.194 1.00 0.00 N ATOM 320 CA GLN A 24 -9.832 6.330 -1.846 1.00 0.00 C ATOM 321 C GLN A 24 -11.006 5.484 -1.349 1.00 0.00 C ATOM 322 O GLN A 24 -10.844 4.298 -1.062 1.00 0.00 O ATOM 323 CB GLN A 24 -9.554 7.496 -0.895 1.00 0.00 C ATOM 324 CG GLN A 24 -9.002 6.994 0.440 1.00 0.00 C ATOM 325 CD GLN A 24 -9.611 7.768 1.611 1.00 0.00 C ATOM 326 OE1 GLN A 24 -9.267 8.907 1.882 1.00 0.00 O ATOM 327 NE2 GLN A 24 -10.533 7.089 2.288 1.00 0.00 N ATOM 0 H GLN A 24 -9.783 7.763 -3.375 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.941 5.703 -1.868 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.841 8.181 -1.353 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -10.472 8.058 -0.725 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.218 5.931 0.550 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.917 7.102 0.453 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -10.774 6.138 2.008 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.999 7.519 3.087 1.00 0.00 H new ATOM 336 N ILE A 25 -12.161 6.126 -1.261 1.00 0.00 N ATOM 337 CA ILE A 25 -13.362 5.447 -0.803 1.00 0.00 C ATOM 338 C ILE A 25 -13.422 4.051 -1.425 1.00 0.00 C ATOM 339 O ILE A 25 -13.595 3.059 -0.718 1.00 0.00 O ATOM 340 CB ILE A 25 -14.600 6.300 -1.085 1.00 0.00 C ATOM 341 CG1 ILE A 25 -14.582 7.585 -0.254 1.00 0.00 C ATOM 342 CG2 ILE A 25 -15.882 5.494 -0.867 1.00 0.00 C ATOM 343 CD1 ILE A 25 -15.371 8.697 -0.948 1.00 0.00 C ATOM 0 H ILE A 25 -12.291 7.109 -1.499 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.335 5.313 0.278 1.00 0.00 H new ATOM 0 HB ILE A 25 -14.580 6.595 -2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -15.008 7.392 0.731 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -13.552 7.907 -0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -16.747 6.124 -1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -15.890 4.635 -1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -15.924 5.149 0.166 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -15.343 9.599 -0.337 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -14.928 8.904 -1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -16.406 8.381 -1.080 1.00 0.00 H new ATOM 355 N ARG A 26 -13.274 4.017 -2.741 1.00 0.00 N ATOM 356 CA ARG A 26 -13.310 2.758 -3.466 1.00 0.00 C ATOM 357 C ARG A 26 -12.100 1.898 -3.096 1.00 0.00 C ATOM 358 O ARG A 26 -12.214 0.680 -2.973 1.00 0.00 O ATOM 359 CB ARG A 26 -13.316 2.994 -4.978 1.00 0.00 C ATOM 360 CG ARG A 26 -14.743 2.983 -5.529 1.00 0.00 C ATOM 361 CD ARG A 26 -14.943 1.828 -6.512 1.00 0.00 C ATOM 362 NE ARG A 26 -14.900 2.334 -7.902 1.00 0.00 N ATOM 363 CZ ARG A 26 -15.159 1.584 -8.983 1.00 0.00 C ATOM 364 NH1 ARG A 26 -15.480 0.291 -8.840 1.00 0.00 N ATOM 365 NH2 ARG A 26 -15.096 2.128 -10.206 1.00 0.00 N ATOM 0 H ARG A 26 -13.129 4.841 -3.324 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.227 2.240 -3.187 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.843 3.950 -5.202 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.726 2.223 -5.472 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -15.453 2.893 -4.707 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.951 3.930 -6.028 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.167 1.076 -6.366 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -15.899 1.340 -6.323 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.658 3.314 -8.047 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -15.527 -0.123 -7.909 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.677 -0.280 -9.662 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.851 3.112 -10.314 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.293 1.558 -11.029 1.00 0.00 H new ATOM 379 N LEU A 27 -10.968 2.566 -2.927 1.00 0.00 N ATOM 380 CA LEU A 27 -9.739 1.878 -2.573 1.00 0.00 C ATOM 381 C LEU A 27 -9.957 1.083 -1.284 1.00 0.00 C ATOM 382 O LEU A 27 -9.868 -0.144 -1.285 1.00 0.00 O ATOM 383 CB LEU A 27 -8.574 2.868 -2.495 1.00 0.00 C ATOM 384 CG LEU A 27 -8.123 3.479 -3.823 1.00 0.00 C ATOM 385 CD1 LEU A 27 -6.700 4.031 -3.717 1.00 0.00 C ATOM 386 CD2 LEU A 27 -8.263 2.472 -4.966 1.00 0.00 C ATOM 0 H LEU A 27 -10.877 3.577 -3.029 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.467 1.161 -3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.856 3.678 -1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.722 2.361 -2.043 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.779 4.319 -4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.404 4.460 -4.674 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.665 4.803 -2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.016 3.225 -3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.936 2.932 -5.898 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.647 1.597 -4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.306 2.168 -5.058 1.00 0.00 H new ATOM 398 N ALA A 28 -10.240 1.814 -0.216 1.00 0.00 N ATOM 399 CA ALA A 28 -10.472 1.192 1.076 1.00 0.00 C ATOM 400 C ALA A 28 -11.581 0.146 0.942 1.00 0.00 C ATOM 401 O ALA A 28 -11.548 -0.887 1.609 1.00 0.00 O ATOM 402 CB ALA A 28 -10.809 2.270 2.109 1.00 0.00 C ATOM 0 H ALA A 28 -10.314 2.831 -0.219 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.575 0.679 1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.983 1.803 3.078 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.978 2.971 2.188 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.706 2.805 1.797 1.00 0.00 H new ATOM 408 N GLN A 29 -12.535 0.450 0.075 1.00 0.00 N ATOM 409 CA GLN A 29 -13.652 -0.451 -0.155 1.00 0.00 C ATOM 410 C GLN A 29 -13.169 -1.729 -0.845 1.00 0.00 C ATOM 411 O GLN A 29 -13.714 -2.807 -0.614 1.00 0.00 O ATOM 412 CB GLN A 29 -14.749 0.233 -0.972 1.00 0.00 C ATOM 413 CG GLN A 29 -15.707 -0.797 -1.575 1.00 0.00 C ATOM 414 CD GLN A 29 -17.156 -0.311 -1.495 1.00 0.00 C ATOM 415 OE1 GLN A 29 -17.439 0.820 -1.137 1.00 0.00 O ATOM 416 NE2 GLN A 29 -18.053 -1.227 -1.847 1.00 0.00 N ATOM 0 H GLN A 29 -12.558 1.307 -0.477 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.080 -0.722 0.810 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.304 0.923 -0.336 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -14.298 0.826 -1.768 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.439 -0.983 -2.615 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.608 -1.745 -1.046 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -17.747 -2.156 -2.137 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -19.047 -1.001 -1.827 1.00 0.00 H new ATOM 425 N MET A 30 -12.153 -1.565 -1.679 1.00 0.00 N ATOM 426 CA MET A 30 -11.591 -2.691 -2.405 1.00 0.00 C ATOM 427 C MET A 30 -10.549 -3.425 -1.557 1.00 0.00 C ATOM 428 O MET A 30 -10.499 -4.654 -1.555 1.00 0.00 O ATOM 429 CB MET A 30 -10.941 -2.193 -3.697 1.00 0.00 C ATOM 430 CG MET A 30 -12.000 -1.836 -4.742 1.00 0.00 C ATOM 431 SD MET A 30 -11.317 -1.999 -6.383 1.00 0.00 S ATOM 432 CE MET A 30 -10.861 -0.302 -6.698 1.00 0.00 C ATOM 0 H MET A 30 -11.704 -0.669 -1.868 1.00 0.00 H new ATOM 0 HA MET A 30 -12.396 -3.387 -2.639 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.325 -1.319 -3.485 1.00 0.00 H new ATOM 0 HB3 MET A 30 -10.278 -2.961 -4.094 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.865 -2.490 -4.633 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.349 -0.816 -4.584 1.00 0.00 H new ATOM 0 HE1 MET A 30 -10.415 -0.223 -7.689 1.00 0.00 H new ATOM 0 HE2 MET A 30 -11.749 0.329 -6.648 1.00 0.00 H new ATOM 0 HE3 MET A 30 -10.140 0.026 -5.949 1.00 0.00 H new ATOM 442 N ILE A 31 -9.742 -2.639 -0.859 1.00 0.00 N ATOM 443 CA ILE A 31 -8.705 -3.198 -0.010 1.00 0.00 C ATOM 444 C ILE A 31 -9.353 -3.933 1.165 1.00 0.00 C ATOM 445 O ILE A 31 -8.769 -4.862 1.720 1.00 0.00 O ATOM 446 CB ILE A 31 -7.716 -2.110 0.416 1.00 0.00 C ATOM 447 CG1 ILE A 31 -6.786 -1.733 -0.739 1.00 0.00 C ATOM 448 CG2 ILE A 31 -6.940 -2.533 1.664 1.00 0.00 C ATOM 449 CD1 ILE A 31 -6.718 -0.215 -0.915 1.00 0.00 C ATOM 0 H ILE A 31 -9.786 -1.620 -0.864 1.00 0.00 H new ATOM 0 HA ILE A 31 -8.118 -3.933 -0.561 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.282 -1.216 0.678 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.787 -2.126 -0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.140 -2.194 -1.661 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.244 -1.742 1.945 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.637 -2.711 2.483 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.385 -3.447 1.455 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.050 0.026 -1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.715 0.172 -1.129 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.341 0.241 0.000 1.00 0.00 H new ATOM 461 N SER A 32 -10.553 -3.488 1.510 1.00 0.00 N ATOM 462 CA SER A 32 -11.287 -4.092 2.609 1.00 0.00 C ATOM 463 C SER A 32 -11.451 -5.594 2.366 1.00 0.00 C ATOM 464 O SER A 32 -11.163 -6.403 3.247 1.00 0.00 O ATOM 465 CB SER A 32 -12.656 -3.431 2.785 1.00 0.00 C ATOM 466 OG SER A 32 -13.378 -3.984 3.882 1.00 0.00 O ATOM 0 H SER A 32 -11.035 -2.717 1.048 1.00 0.00 H new ATOM 0 HA SER A 32 -10.718 -3.939 3.526 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.524 -2.360 2.940 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.237 -3.551 1.871 1.00 0.00 H new ATOM 0 HG SER A 32 -14.245 -3.535 3.962 1.00 0.00 H new ATOM 472 N ASP A 33 -11.912 -5.921 1.168 1.00 0.00 N ATOM 473 CA ASP A 33 -12.117 -7.311 0.799 1.00 0.00 C ATOM 474 C ASP A 33 -10.874 -8.122 1.171 1.00 0.00 C ATOM 475 O ASP A 33 -10.967 -9.107 1.901 1.00 0.00 O ATOM 476 CB ASP A 33 -12.341 -7.453 -0.708 1.00 0.00 C ATOM 477 CG ASP A 33 -13.747 -7.091 -1.190 1.00 0.00 C ATOM 478 OD1 ASP A 33 -14.707 -7.585 -0.562 1.00 0.00 O ATOM 479 OD2 ASP A 33 -13.829 -6.328 -2.177 1.00 0.00 O ATOM 0 H ASP A 33 -12.149 -5.247 0.440 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.996 -7.675 1.330 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.621 -6.821 -1.228 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.128 -8.482 -0.996 1.00 0.00 H new ATOM 484 N HIS A 34 -9.739 -7.676 0.652 1.00 0.00 N ATOM 485 CA HIS A 34 -8.479 -8.348 0.921 1.00 0.00 C ATOM 486 C HIS A 34 -7.806 -7.709 2.137 1.00 0.00 C ATOM 487 O HIS A 34 -7.184 -6.654 2.023 1.00 0.00 O ATOM 488 CB HIS A 34 -7.586 -8.346 -0.321 1.00 0.00 C ATOM 489 CG HIS A 34 -6.840 -7.051 -0.539 1.00 0.00 C ATOM 490 ND1 HIS A 34 -5.623 -6.777 0.061 1.00 0.00 N ATOM 491 CD2 HIS A 34 -7.151 -5.960 -1.296 1.00 0.00 C ATOM 492 CE1 HIS A 34 -5.229 -5.572 -0.324 1.00 0.00 C ATOM 493 NE2 HIS A 34 -6.177 -5.067 -1.165 1.00 0.00 N ATOM 0 H HIS A 34 -9.666 -6.858 0.047 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.665 -9.395 1.161 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.865 -9.159 -0.239 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.200 -8.552 -1.198 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -5.116 -7.397 0.692 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.039 -5.842 -1.900 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.317 -5.077 -0.025 1.00 0.00 H new ATOM 501 N ASN A 35 -7.952 -8.375 3.273 1.00 0.00 N ATOM 502 CA ASN A 35 -7.366 -7.884 4.509 1.00 0.00 C ATOM 503 C ASN A 35 -6.972 -9.073 5.388 1.00 0.00 C ATOM 504 O ASN A 35 -7.356 -10.208 5.112 1.00 0.00 O ATOM 505 CB ASN A 35 -8.364 -7.029 5.291 1.00 0.00 C ATOM 506 CG ASN A 35 -7.979 -5.549 5.236 1.00 0.00 C ATOM 507 OD1 ASN A 35 -7.818 -4.961 4.178 1.00 0.00 O ATOM 508 ND2 ASN A 35 -7.841 -4.981 6.430 1.00 0.00 N ATOM 0 H ASN A 35 -8.468 -9.250 3.364 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.496 -7.279 4.253 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.364 -7.164 4.880 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.398 -7.361 6.329 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.586 -3.996 6.500 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.990 -5.530 7.276 1.00 0.00 H new ATOM 515 N ASP A 36 -6.209 -8.771 6.429 1.00 0.00 N ATOM 516 CA ASP A 36 -5.759 -9.800 7.350 1.00 0.00 C ATOM 517 C ASP A 36 -5.624 -9.201 8.751 1.00 0.00 C ATOM 518 O ASP A 36 -5.592 -7.982 8.908 1.00 0.00 O ATOM 519 CB ASP A 36 -4.392 -10.349 6.937 1.00 0.00 C ATOM 520 CG ASP A 36 -4.400 -11.235 5.690 1.00 0.00 C ATOM 521 OD1 ASP A 36 -5.492 -11.751 5.367 1.00 0.00 O ATOM 522 OD2 ASP A 36 -3.315 -11.376 5.086 1.00 0.00 O ATOM 0 H ASP A 36 -5.891 -7.828 6.654 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.491 -10.608 7.337 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.718 -9.510 6.764 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.981 -10.922 7.768 1.00 0.00 H new ATOM 527 N ALA A 37 -5.550 -10.087 9.734 1.00 0.00 N ATOM 528 CA ALA A 37 -5.419 -9.661 11.117 1.00 0.00 C ATOM 529 C ALA A 37 -4.095 -8.915 11.294 1.00 0.00 C ATOM 530 O ALA A 37 -4.039 -7.894 11.977 1.00 0.00 O ATOM 531 CB ALA A 37 -5.532 -10.876 12.039 1.00 0.00 C ATOM 0 H ALA A 37 -5.578 -11.098 9.600 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.222 -8.974 11.384 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.434 -10.556 13.076 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.502 -11.352 11.896 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.741 -11.587 11.802 1.00 0.00 H new ATOM 537 N ASP A 38 -3.060 -9.456 10.667 1.00 0.00 N ATOM 538 CA ASP A 38 -1.740 -8.855 10.746 1.00 0.00 C ATOM 539 C ASP A 38 -1.827 -7.385 10.331 1.00 0.00 C ATOM 540 O ASP A 38 -1.603 -6.491 11.146 1.00 0.00 O ATOM 541 CB ASP A 38 -0.758 -9.555 9.804 1.00 0.00 C ATOM 542 CG ASP A 38 -0.609 -11.061 10.029 1.00 0.00 C ATOM 543 OD1 ASP A 38 0.117 -11.424 10.980 1.00 0.00 O ATOM 544 OD2 ASP A 38 -1.224 -11.816 9.245 1.00 0.00 O ATOM 0 H ASP A 38 -3.110 -10.304 10.102 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.387 -8.953 11.773 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.080 -9.386 8.777 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.221 -9.088 9.912 1.00 0.00 H new ATOM 549 N PHE A 39 -2.153 -7.180 9.063 1.00 0.00 N ATOM 550 CA PHE A 39 -2.273 -5.834 8.529 1.00 0.00 C ATOM 551 C PHE A 39 -3.224 -4.990 9.380 1.00 0.00 C ATOM 552 O PHE A 39 -2.936 -3.831 9.675 1.00 0.00 O ATOM 553 CB PHE A 39 -2.848 -5.962 7.117 1.00 0.00 C ATOM 554 CG PHE A 39 -3.160 -4.622 6.448 1.00 0.00 C ATOM 555 CD1 PHE A 39 -4.382 -4.048 6.612 1.00 0.00 C ATOM 556 CD2 PHE A 39 -2.215 -4.004 5.690 1.00 0.00 C ATOM 557 CE1 PHE A 39 -4.672 -2.804 5.992 1.00 0.00 C ATOM 558 CE2 PHE A 39 -2.505 -2.760 5.069 1.00 0.00 C ATOM 559 CZ PHE A 39 -3.727 -2.187 5.233 1.00 0.00 C ATOM 0 H PHE A 39 -2.338 -7.924 8.390 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.298 -5.346 8.528 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.140 -6.510 6.496 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.761 -6.556 7.160 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.132 -4.539 7.214 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.244 -4.459 5.560 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.642 -2.348 6.123 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.755 -2.269 4.467 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.947 -1.241 4.760 1.00 0.00 H new ATOM 569 N GLU A 40 -4.339 -5.603 9.750 1.00 0.00 N ATOM 570 CA GLU A 40 -5.334 -4.922 10.560 1.00 0.00 C ATOM 571 C GLU A 40 -4.684 -4.332 11.813 1.00 0.00 C ATOM 572 O GLU A 40 -4.759 -3.127 12.047 1.00 0.00 O ATOM 573 CB GLU A 40 -6.480 -5.867 10.929 1.00 0.00 C ATOM 574 CG GLU A 40 -7.570 -5.851 9.856 1.00 0.00 C ATOM 575 CD GLU A 40 -8.824 -6.583 10.338 1.00 0.00 C ATOM 576 OE1 GLU A 40 -8.687 -7.775 10.688 1.00 0.00 O ATOM 577 OE2 GLU A 40 -9.892 -5.934 10.346 1.00 0.00 O ATOM 0 H GLU A 40 -4.575 -6.564 9.503 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.755 -4.105 9.974 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.097 -6.880 11.048 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.905 -5.572 11.889 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.821 -4.821 9.602 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.197 -6.322 8.946 1.00 0.00 H new ATOM 584 N GLU A 41 -4.062 -5.209 12.588 1.00 0.00 N ATOM 585 CA GLU A 41 -3.400 -4.790 13.811 1.00 0.00 C ATOM 586 C GLU A 41 -2.463 -3.613 13.531 1.00 0.00 C ATOM 587 O GLU A 41 -2.385 -2.676 14.324 1.00 0.00 O ATOM 588 CB GLU A 41 -2.642 -5.955 14.451 1.00 0.00 C ATOM 589 CG GLU A 41 -3.256 -6.334 15.800 1.00 0.00 C ATOM 590 CD GLU A 41 -2.500 -5.668 16.953 1.00 0.00 C ATOM 591 OE1 GLU A 41 -2.615 -4.429 17.066 1.00 0.00 O ATOM 592 OE2 GLU A 41 -1.824 -6.414 17.694 1.00 0.00 O ATOM 0 H GLU A 41 -4.003 -6.208 12.392 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.161 -4.462 14.519 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.662 -6.817 13.784 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.596 -5.681 14.588 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.303 -6.032 15.825 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.233 -7.417 15.923 1.00 0.00 H new ATOM 599 N LYS A 42 -1.776 -3.701 12.402 1.00 0.00 N ATOM 600 CA LYS A 42 -0.848 -2.655 12.008 1.00 0.00 C ATOM 601 C LYS A 42 -1.621 -1.358 11.762 1.00 0.00 C ATOM 602 O LYS A 42 -1.291 -0.317 12.327 1.00 0.00 O ATOM 603 CB LYS A 42 -0.008 -3.107 10.811 1.00 0.00 C ATOM 604 CG LYS A 42 1.027 -4.152 11.232 1.00 0.00 C ATOM 605 CD LYS A 42 2.245 -4.120 10.306 1.00 0.00 C ATOM 606 CE LYS A 42 3.296 -5.142 10.747 1.00 0.00 C ATOM 607 NZ LYS A 42 4.659 -4.624 10.497 1.00 0.00 N ATOM 0 H LYS A 42 -1.843 -4.480 11.748 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.137 -2.455 12.810 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.659 -3.523 10.042 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.496 -2.247 10.370 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.341 -3.965 12.259 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.576 -5.144 11.212 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.934 -4.331 9.283 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.681 -3.121 10.307 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.174 -5.364 11.807 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.151 -6.078 10.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.359 -5.291 10.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.806 -4.515 9.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.771 -3.701 10.963 1.00 0.00 H new ATOM 621 N VAL A 43 -2.637 -1.464 10.918 1.00 0.00 N ATOM 622 CA VAL A 43 -3.461 -0.313 10.590 1.00 0.00 C ATOM 623 C VAL A 43 -3.801 0.448 11.873 1.00 0.00 C ATOM 624 O VAL A 43 -3.552 1.648 11.972 1.00 0.00 O ATOM 625 CB VAL A 43 -4.701 -0.761 9.813 1.00 0.00 C ATOM 626 CG1 VAL A 43 -5.819 0.278 9.919 1.00 0.00 C ATOM 627 CG2 VAL A 43 -4.357 -1.049 8.351 1.00 0.00 C ATOM 0 H VAL A 43 -2.908 -2.329 10.451 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.918 0.373 9.940 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.061 -1.687 10.261 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.689 -0.065 9.358 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.092 0.413 10.966 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.474 1.227 9.509 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.256 -1.365 7.821 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.961 -0.146 7.886 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.609 -1.841 8.302 1.00 0.00 H new ATOM 637 N LYS A 44 -4.365 -0.283 12.824 1.00 0.00 N ATOM 638 CA LYS A 44 -4.742 0.308 14.096 1.00 0.00 C ATOM 639 C LYS A 44 -3.524 0.997 14.715 1.00 0.00 C ATOM 640 O LYS A 44 -3.637 2.096 15.256 1.00 0.00 O ATOM 641 CB LYS A 44 -5.382 -0.743 15.006 1.00 0.00 C ATOM 642 CG LYS A 44 -6.861 -0.935 14.667 1.00 0.00 C ATOM 643 CD LYS A 44 -7.461 -2.094 15.466 1.00 0.00 C ATOM 644 CE LYS A 44 -7.838 -1.647 16.880 1.00 0.00 C ATOM 645 NZ LYS A 44 -9.302 -1.743 17.080 1.00 0.00 N ATOM 0 H LYS A 44 -4.570 -1.279 12.739 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.502 1.075 13.949 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.855 -1.691 14.899 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.281 -0.438 16.047 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.409 -0.018 14.883 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.971 -1.129 13.600 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.344 -2.475 14.953 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.744 -2.914 15.519 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.323 -2.267 17.614 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.509 -0.621 17.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.541 -1.436 18.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.787 -1.132 16.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.607 -2.728 16.944 1.00 0.00 H new ATOM 659 N GLN A 45 -2.388 0.323 14.613 1.00 0.00 N ATOM 660 CA GLN A 45 -1.150 0.858 15.155 1.00 0.00 C ATOM 661 C GLN A 45 -0.818 2.199 14.499 1.00 0.00 C ATOM 662 O GLN A 45 -0.307 3.106 15.156 1.00 0.00 O ATOM 663 CB GLN A 45 -0.001 -0.137 14.981 1.00 0.00 C ATOM 664 CG GLN A 45 0.301 -0.863 16.293 1.00 0.00 C ATOM 665 CD GLN A 45 1.642 -0.410 16.874 1.00 0.00 C ATOM 666 OE1 GLN A 45 2.662 -0.390 16.206 1.00 0.00 O ATOM 667 NE2 GLN A 45 1.583 -0.050 18.153 1.00 0.00 N ATOM 0 H GLN A 45 -2.299 -0.588 14.163 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.286 1.023 16.224 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.258 -0.864 14.210 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.891 0.388 14.639 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.495 -0.669 17.012 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.320 -1.939 16.121 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.695 -0.091 18.654 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.425 0.267 18.633 1.00 0.00 H new ATOM 676 N LEU A 46 -1.123 2.284 13.213 1.00 0.00 N ATOM 677 CA LEU A 46 -0.864 3.500 12.461 1.00 0.00 C ATOM 678 C LEU A 46 -1.734 4.631 13.013 1.00 0.00 C ATOM 679 O LEU A 46 -1.250 5.741 13.232 1.00 0.00 O ATOM 680 CB LEU A 46 -1.053 3.254 10.963 1.00 0.00 C ATOM 681 CG LEU A 46 0.121 2.591 10.238 1.00 0.00 C ATOM 682 CD1 LEU A 46 -0.331 1.975 8.913 1.00 0.00 C ATOM 683 CD2 LEU A 46 1.275 3.577 10.048 1.00 0.00 C ATOM 0 H LEU A 46 -1.547 1.530 12.672 1.00 0.00 H new ATOM 0 HA LEU A 46 0.175 3.808 12.581 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.937 2.631 10.826 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.259 4.210 10.481 1.00 0.00 H new ATOM 0 HG LEU A 46 0.492 1.777 10.861 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.522 1.511 8.418 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.095 1.221 9.104 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.743 2.754 8.271 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.096 3.081 9.531 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.934 4.427 9.456 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.618 3.927 11.021 1.00 0.00 H new ATOM 695 N ILE A 47 -3.002 4.311 13.222 1.00 0.00 N ATOM 696 CA ILE A 47 -3.944 5.287 13.745 1.00 0.00 C ATOM 697 C ILE A 47 -3.498 5.722 15.142 1.00 0.00 C ATOM 698 O ILE A 47 -3.301 6.910 15.393 1.00 0.00 O ATOM 699 CB ILE A 47 -5.369 4.733 13.699 1.00 0.00 C ATOM 700 CG1 ILE A 47 -5.989 4.929 12.313 1.00 0.00 C ATOM 701 CG2 ILE A 47 -6.232 5.345 14.804 1.00 0.00 C ATOM 702 CD1 ILE A 47 -7.323 4.189 12.200 1.00 0.00 C ATOM 0 H ILE A 47 -3.400 3.390 13.039 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.953 6.180 13.121 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.324 3.660 13.883 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.142 5.992 12.126 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.302 4.566 11.549 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.240 4.934 14.748 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.798 5.111 15.776 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.274 6.427 14.676 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.742 4.345 11.206 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.163 3.123 12.364 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.016 4.571 12.950 1.00 0.00 H new ATOM 714 N ASP A 48 -3.352 4.736 16.016 1.00 0.00 N ATOM 715 CA ASP A 48 -2.933 5.002 17.381 1.00 0.00 C ATOM 716 C ASP A 48 -1.656 5.845 17.363 1.00 0.00 C ATOM 717 O ASP A 48 -1.525 6.796 18.132 1.00 0.00 O ATOM 718 CB ASP A 48 -2.631 3.702 18.128 1.00 0.00 C ATOM 719 CG ASP A 48 -3.650 3.322 19.204 1.00 0.00 C ATOM 720 OD1 ASP A 48 -4.857 3.367 18.884 1.00 0.00 O ATOM 721 OD2 ASP A 48 -3.199 2.996 20.323 1.00 0.00 O ATOM 0 H ASP A 48 -3.517 3.752 15.805 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.743 5.528 17.886 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.571 2.890 17.403 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.649 3.788 18.593 1.00 0.00 H new ATOM 726 N ILE A 49 -0.747 5.465 16.478 1.00 0.00 N ATOM 727 CA ILE A 49 0.515 6.173 16.350 1.00 0.00 C ATOM 728 C ILE A 49 0.258 7.561 15.760 1.00 0.00 C ATOM 729 O ILE A 49 0.393 8.569 16.452 1.00 0.00 O ATOM 730 CB ILE A 49 1.519 5.341 15.550 1.00 0.00 C ATOM 731 CG1 ILE A 49 1.929 4.085 16.321 1.00 0.00 C ATOM 732 CG2 ILE A 49 2.729 6.183 15.142 1.00 0.00 C ATOM 733 CD1 ILE A 49 2.280 2.944 15.365 1.00 0.00 C ATOM 0 H ILE A 49 -0.859 4.675 15.842 1.00 0.00 H new ATOM 0 HA ILE A 49 0.969 6.321 17.330 1.00 0.00 H new ATOM 0 HB ILE A 49 1.033 5.011 14.632 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.786 4.308 16.957 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.116 3.776 16.978 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.426 5.567 14.575 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.399 7.019 14.525 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.225 6.564 16.035 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.568 2.064 15.939 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.414 2.707 14.748 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.109 3.247 14.726 1.00 0.00 H new ATOM 745 N THR A 50 -0.107 7.569 14.486 1.00 0.00 N ATOM 746 CA THR A 50 -0.384 8.817 13.795 1.00 0.00 C ATOM 747 C THR A 50 -1.794 9.309 14.127 1.00 0.00 C ATOM 748 O THR A 50 -1.958 10.311 14.822 1.00 0.00 O ATOM 749 CB THR A 50 -0.157 8.589 12.299 1.00 0.00 C ATOM 750 OG1 THR A 50 -1.232 7.739 11.910 1.00 0.00 O ATOM 751 CG2 THR A 50 1.096 7.758 12.017 1.00 0.00 C ATOM 0 H THR A 50 -0.217 6.731 13.915 1.00 0.00 H new ATOM 0 HA THR A 50 0.289 9.609 14.124 1.00 0.00 H new ATOM 0 HB THR A 50 -0.076 9.551 11.794 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.029 6.816 12.168 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.210 7.626 10.941 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.971 8.273 12.414 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.001 6.783 12.494 1.00 0.00 H new ATOM 759 N GLY A 51 -2.776 8.581 13.615 1.00 0.00 N ATOM 760 CA GLY A 51 -4.167 8.931 13.849 1.00 0.00 C ATOM 761 C GLY A 51 -4.802 9.523 12.589 1.00 0.00 C ATOM 762 O GLY A 51 -5.740 10.315 12.676 1.00 0.00 O ATOM 0 H GLY A 51 -2.636 7.751 13.039 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.722 8.045 14.158 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.233 9.650 14.666 1.00 0.00 H new ATOM 766 N LYS A 52 -4.267 9.115 11.448 1.00 0.00 N ATOM 767 CA LYS A 52 -4.770 9.595 10.172 1.00 0.00 C ATOM 768 C LYS A 52 -5.971 8.746 9.750 1.00 0.00 C ATOM 769 O LYS A 52 -6.203 7.673 10.306 1.00 0.00 O ATOM 770 CB LYS A 52 -3.648 9.632 9.133 1.00 0.00 C ATOM 771 CG LYS A 52 -2.527 10.577 9.570 1.00 0.00 C ATOM 772 CD LYS A 52 -2.937 12.039 9.378 1.00 0.00 C ATOM 773 CE LYS A 52 -1.711 12.926 9.150 1.00 0.00 C ATOM 774 NZ LYS A 52 -2.044 14.045 8.239 1.00 0.00 N ATOM 0 H LYS A 52 -3.490 8.457 11.380 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.122 10.623 10.264 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.247 8.629 8.989 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.048 9.956 8.172 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.283 10.398 10.617 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.626 10.369 8.993 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.614 12.122 8.528 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.483 12.386 10.255 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.356 13.318 10.103 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.900 12.334 8.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.202 14.637 8.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.361 13.665 7.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.803 14.619 8.658 1.00 0.00 H new ATOM 788 N ASN A 53 -6.703 9.258 8.772 1.00 0.00 N ATOM 789 CA ASN A 53 -7.874 8.560 8.269 1.00 0.00 C ATOM 790 C ASN A 53 -7.537 7.080 8.077 1.00 0.00 C ATOM 791 O ASN A 53 -6.652 6.738 7.293 1.00 0.00 O ATOM 792 CB ASN A 53 -8.314 9.124 6.917 1.00 0.00 C ATOM 793 CG ASN A 53 -8.616 10.621 7.020 1.00 0.00 C ATOM 794 OD1 ASN A 53 -7.754 11.467 6.852 1.00 0.00 O ATOM 795 ND2 ASN A 53 -9.886 10.897 7.304 1.00 0.00 N ATOM 0 H ASN A 53 -6.508 10.148 8.314 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.679 8.689 8.992 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.531 8.957 6.177 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.200 8.594 6.569 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.189 11.867 7.393 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.556 10.139 7.432 1.00 0.00 H new ATOM 802 N GLN A 54 -8.259 6.241 8.804 1.00 0.00 N ATOM 803 CA GLN A 54 -8.048 4.806 8.723 1.00 0.00 C ATOM 804 C GLN A 54 -7.773 4.391 7.277 1.00 0.00 C ATOM 805 O GLN A 54 -6.714 3.843 6.975 1.00 0.00 O ATOM 806 CB GLN A 54 -9.244 4.042 9.296 1.00 0.00 C ATOM 807 CG GLN A 54 -8.918 2.557 9.460 1.00 0.00 C ATOM 808 CD GLN A 54 -10.196 1.719 9.532 1.00 0.00 C ATOM 809 OE1 GLN A 54 -10.796 1.544 10.580 1.00 0.00 O ATOM 810 NE2 GLN A 54 -10.579 1.214 8.363 1.00 0.00 N ATOM 0 H GLN A 54 -8.992 6.528 9.453 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.176 4.552 9.325 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.522 4.466 10.261 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.104 4.159 8.637 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.305 2.221 8.623 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.330 2.408 10.366 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.031 1.399 7.523 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.421 0.641 8.306 1.00 0.00 H new ATOM 819 N ASP A 55 -8.746 4.668 6.421 1.00 0.00 N ATOM 820 CA ASP A 55 -8.622 4.330 5.013 1.00 0.00 C ATOM 821 C ASP A 55 -7.212 4.676 4.532 1.00 0.00 C ATOM 822 O ASP A 55 -6.532 3.841 3.938 1.00 0.00 O ATOM 823 CB ASP A 55 -9.619 5.124 4.166 1.00 0.00 C ATOM 824 CG ASP A 55 -11.092 4.828 4.455 1.00 0.00 C ATOM 825 OD1 ASP A 55 -11.473 3.647 4.310 1.00 0.00 O ATOM 826 OD2 ASP A 55 -11.804 5.791 4.815 1.00 0.00 O ATOM 0 H ASP A 55 -9.623 5.122 6.675 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.824 3.264 4.903 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.440 6.188 4.323 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.422 4.920 3.114 1.00 0.00 H new ATOM 831 N GLU A 56 -6.814 5.910 4.806 1.00 0.00 N ATOM 832 CA GLU A 56 -5.497 6.377 4.408 1.00 0.00 C ATOM 833 C GLU A 56 -4.412 5.481 5.009 1.00 0.00 C ATOM 834 O GLU A 56 -3.460 5.109 4.324 1.00 0.00 O ATOM 835 CB GLU A 56 -5.288 7.838 4.813 1.00 0.00 C ATOM 836 CG GLU A 56 -6.197 8.766 4.006 1.00 0.00 C ATOM 837 CD GLU A 56 -5.534 9.173 2.688 1.00 0.00 C ATOM 838 OE1 GLU A 56 -4.909 8.284 2.069 1.00 0.00 O ATOM 839 OE2 GLU A 56 -5.666 10.363 2.329 1.00 0.00 O ATOM 0 H GLU A 56 -7.381 6.600 5.299 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.426 6.321 3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.493 7.957 5.877 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.246 8.117 4.656 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.144 8.266 3.802 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.426 9.656 4.592 1.00 0.00 H new ATOM 846 N CYS A 57 -4.592 5.160 6.281 1.00 0.00 N ATOM 847 CA CYS A 57 -3.641 4.314 6.982 1.00 0.00 C ATOM 848 C CYS A 57 -3.554 2.976 6.245 1.00 0.00 C ATOM 849 O CYS A 57 -2.464 2.444 6.043 1.00 0.00 O ATOM 850 CB CYS A 57 -4.021 4.133 8.453 1.00 0.00 C ATOM 851 SG CYS A 57 -4.220 5.766 9.254 1.00 0.00 S ATOM 0 H CYS A 57 -5.383 5.471 6.845 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.660 4.790 6.985 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.948 3.566 8.530 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.251 3.558 8.968 1.00 0.00 H new ATOM 0 HG CYS A 57 -5.482 5.993 9.469 1.00 0.00 H new ATOM 857 N VAL A 58 -4.718 2.470 5.864 1.00 0.00 N ATOM 858 CA VAL A 58 -4.788 1.204 5.155 1.00 0.00 C ATOM 859 C VAL A 58 -4.040 1.328 3.826 1.00 0.00 C ATOM 860 O VAL A 58 -3.346 0.400 3.412 1.00 0.00 O ATOM 861 CB VAL A 58 -6.248 0.781 4.981 1.00 0.00 C ATOM 862 CG1 VAL A 58 -6.365 -0.404 4.020 1.00 0.00 C ATOM 863 CG2 VAL A 58 -6.889 0.457 6.332 1.00 0.00 C ATOM 0 H VAL A 58 -5.620 2.914 6.033 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.302 0.416 5.731 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.790 1.620 4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.413 -0.685 3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.964 -0.123 3.046 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.801 -1.249 4.414 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.926 0.159 6.180 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.343 -0.358 6.808 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.854 1.339 6.972 1.00 0.00 H new ATOM 873 N ILE A 59 -4.206 2.480 3.194 1.00 0.00 N ATOM 874 CA ILE A 59 -3.555 2.737 1.921 1.00 0.00 C ATOM 875 C ILE A 59 -2.052 2.911 2.147 1.00 0.00 C ATOM 876 O ILE A 59 -1.243 2.237 1.512 1.00 0.00 O ATOM 877 CB ILE A 59 -4.211 3.924 1.213 1.00 0.00 C ATOM 878 CG1 ILE A 59 -5.700 3.664 0.972 1.00 0.00 C ATOM 879 CG2 ILE A 59 -3.472 4.267 -0.082 1.00 0.00 C ATOM 880 CD1 ILE A 59 -6.508 4.958 1.086 1.00 0.00 C ATOM 0 H ILE A 59 -4.783 3.247 3.540 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.681 1.886 1.251 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.137 4.794 1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.841 3.229 -0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.068 2.937 1.696 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.959 5.114 -0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.438 4.525 0.147 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.492 3.407 -0.751 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.562 4.745 0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.384 5.378 2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.154 5.674 0.345 1.00 0.00 H new ATOM 892 N ALA A 60 -1.724 3.818 3.055 1.00 0.00 N ATOM 893 CA ALA A 60 -0.332 4.089 3.374 1.00 0.00 C ATOM 894 C ALA A 60 0.387 2.770 3.664 1.00 0.00 C ATOM 895 O ALA A 60 1.360 2.429 2.994 1.00 0.00 O ATOM 896 CB ALA A 60 -0.258 5.065 4.550 1.00 0.00 C ATOM 0 H ALA A 60 -2.398 4.375 3.580 1.00 0.00 H new ATOM 0 HA ALA A 60 0.171 4.559 2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.786 5.268 4.789 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.757 5.996 4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.750 4.627 5.418 1.00 0.00 H new ATOM 902 N LEU A 61 -0.122 2.063 4.663 1.00 0.00 N ATOM 903 CA LEU A 61 0.459 0.789 5.050 1.00 0.00 C ATOM 904 C LEU A 61 0.712 -0.052 3.797 1.00 0.00 C ATOM 905 O LEU A 61 1.846 -0.446 3.528 1.00 0.00 O ATOM 906 CB LEU A 61 -0.420 0.093 6.091 1.00 0.00 C ATOM 907 CG LEU A 61 0.219 -1.084 6.829 1.00 0.00 C ATOM 908 CD1 LEU A 61 1.653 -0.755 7.248 1.00 0.00 C ATOM 909 CD2 LEU A 61 -0.641 -1.517 8.018 1.00 0.00 C ATOM 0 H LEU A 61 -0.930 2.349 5.216 1.00 0.00 H new ATOM 0 HA LEU A 61 1.424 0.941 5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.731 0.833 6.828 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.324 -0.262 5.596 1.00 0.00 H new ATOM 0 HG LEU A 61 0.270 -1.930 6.144 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.084 -1.609 7.771 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.249 -0.533 6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.649 0.111 7.909 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.164 -2.355 8.526 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.746 -0.684 8.713 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.626 -1.820 7.663 1.00 0.00 H new ATOM 921 N HIS A 62 -0.363 -0.304 3.065 1.00 0.00 N ATOM 922 CA HIS A 62 -0.272 -1.091 1.847 1.00 0.00 C ATOM 923 C HIS A 62 0.779 -0.480 0.918 1.00 0.00 C ATOM 924 O HIS A 62 1.742 -1.145 0.540 1.00 0.00 O ATOM 925 CB HIS A 62 -1.643 -1.227 1.183 1.00 0.00 C ATOM 926 CG HIS A 62 -1.587 -1.666 -0.260 1.00 0.00 C ATOM 927 ND1 HIS A 62 -2.076 -2.886 -0.692 1.00 0.00 N ATOM 928 CD2 HIS A 62 -1.094 -1.036 -1.365 1.00 0.00 C ATOM 929 CE1 HIS A 62 -1.881 -2.976 -2.000 1.00 0.00 C ATOM 930 NE2 HIS A 62 -1.272 -1.828 -2.415 1.00 0.00 N ATOM 0 H HIS A 62 -1.302 0.023 3.292 1.00 0.00 H new ATOM 0 HA HIS A 62 0.051 -2.104 2.088 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.239 -1.945 1.747 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.159 -0.269 1.241 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.636 -0.058 -1.382 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.156 -3.811 -2.627 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.999 -1.614 -3.374 1.00 0.00 H new ATOM 938 N ASP A 63 0.558 0.781 0.576 1.00 0.00 N ATOM 939 CA ASP A 63 1.473 1.490 -0.302 1.00 0.00 C ATOM 940 C ASP A 63 2.913 1.126 0.068 1.00 0.00 C ATOM 941 O ASP A 63 3.717 0.799 -0.803 1.00 0.00 O ATOM 942 CB ASP A 63 1.316 3.005 -0.154 1.00 0.00 C ATOM 943 CG ASP A 63 1.081 3.761 -1.463 1.00 0.00 C ATOM 944 OD1 ASP A 63 1.774 3.422 -2.447 1.00 0.00 O ATOM 945 OD2 ASP A 63 0.213 4.661 -1.451 1.00 0.00 O ATOM 0 H ASP A 63 -0.242 1.330 0.891 1.00 0.00 H new ATOM 0 HA ASP A 63 1.246 1.202 -1.329 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.482 3.205 0.518 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.212 3.403 0.322 1.00 0.00 H new ATOM 950 N CYS A 64 3.193 1.195 1.361 1.00 0.00 N ATOM 951 CA CYS A 64 4.521 0.877 1.857 1.00 0.00 C ATOM 952 C CYS A 64 4.821 -0.586 1.523 1.00 0.00 C ATOM 953 O CYS A 64 5.753 -0.877 0.775 1.00 0.00 O ATOM 954 CB CYS A 64 4.648 1.157 3.356 1.00 0.00 C ATOM 955 SG CYS A 64 5.559 2.722 3.625 1.00 0.00 S ATOM 0 H CYS A 64 2.523 1.467 2.080 1.00 0.00 H new ATOM 0 HA CYS A 64 5.256 1.518 1.371 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.658 1.221 3.808 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.169 0.334 3.845 1.00 0.00 H new ATOM 0 HG CYS A 64 6.748 2.627 3.107 1.00 0.00 H new ATOM 961 N ASN A 65 4.013 -1.468 2.093 1.00 0.00 N ATOM 962 CA ASN A 65 4.180 -2.893 1.865 1.00 0.00 C ATOM 963 C ASN A 65 3.560 -3.667 3.030 1.00 0.00 C ATOM 964 O ASN A 65 3.156 -4.818 2.870 1.00 0.00 O ATOM 965 CB ASN A 65 5.661 -3.268 1.782 1.00 0.00 C ATOM 966 CG ASN A 65 6.103 -3.437 0.328 1.00 0.00 C ATOM 967 OD1 ASN A 65 5.371 -3.924 -0.518 1.00 0.00 O ATOM 968 ND2 ASN A 65 7.339 -3.009 0.085 1.00 0.00 N ATOM 0 H ASN A 65 3.241 -1.223 2.712 1.00 0.00 H new ATOM 0 HA ASN A 65 3.692 -3.144 0.923 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.263 -2.496 2.261 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.836 -4.194 2.329 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.727 -3.079 -0.856 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.899 -2.611 0.839 1.00 0.00 H new ATOM 975 N GLY A 66 3.505 -3.005 4.176 1.00 0.00 N ATOM 976 CA GLY A 66 2.942 -3.617 5.368 1.00 0.00 C ATOM 977 C GLY A 66 3.843 -3.385 6.582 1.00 0.00 C ATOM 978 O GLY A 66 4.082 -4.302 7.366 1.00 0.00 O ATOM 0 H GLY A 66 3.841 -2.051 4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.952 -3.203 5.561 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.813 -4.687 5.205 1.00 0.00 H new ATOM 982 N ASP A 67 4.319 -2.154 6.699 1.00 0.00 N ATOM 983 CA ASP A 67 5.189 -1.790 7.804 1.00 0.00 C ATOM 984 C ASP A 67 4.673 -0.503 8.451 1.00 0.00 C ATOM 985 O ASP A 67 4.709 0.562 7.837 1.00 0.00 O ATOM 986 CB ASP A 67 6.618 -1.535 7.320 1.00 0.00 C ATOM 987 CG ASP A 67 7.684 -2.436 7.946 1.00 0.00 C ATOM 988 OD1 ASP A 67 7.876 -3.547 7.407 1.00 0.00 O ATOM 989 OD2 ASP A 67 8.282 -1.994 8.951 1.00 0.00 O ATOM 0 H ASP A 67 4.118 -1.396 6.047 1.00 0.00 H new ATOM 0 HA ASP A 67 5.191 -2.615 8.517 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.647 -1.662 6.238 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.875 -0.496 7.526 1.00 0.00 H new ATOM 994 N VAL A 68 4.204 -0.645 9.682 1.00 0.00 N ATOM 995 CA VAL A 68 3.681 0.493 10.419 1.00 0.00 C ATOM 996 C VAL A 68 4.711 1.625 10.400 1.00 0.00 C ATOM 997 O VAL A 68 4.364 2.781 10.164 1.00 0.00 O ATOM 998 CB VAL A 68 3.291 0.065 11.835 1.00 0.00 C ATOM 999 CG1 VAL A 68 3.273 1.264 12.786 1.00 0.00 C ATOM 1000 CG2 VAL A 68 1.941 -0.656 11.837 1.00 0.00 C ATOM 0 H VAL A 68 4.175 -1.530 10.187 1.00 0.00 H new ATOM 0 HA VAL A 68 2.774 0.870 9.946 1.00 0.00 H new ATOM 0 HB VAL A 68 4.046 -0.635 12.193 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.993 0.931 13.785 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.264 1.717 12.819 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.550 1.998 12.432 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.687 -0.950 12.855 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.171 0.011 11.449 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.002 -1.544 11.208 1.00 0.00 H new ATOM 1010 N ASN A 69 5.957 1.252 10.651 1.00 0.00 N ATOM 1011 CA ASN A 69 7.040 2.221 10.666 1.00 0.00 C ATOM 1012 C ASN A 69 7.147 2.881 9.289 1.00 0.00 C ATOM 1013 O ASN A 69 6.959 4.090 9.160 1.00 0.00 O ATOM 1014 CB ASN A 69 8.379 1.547 10.972 1.00 0.00 C ATOM 1015 CG ASN A 69 8.223 0.493 12.070 1.00 0.00 C ATOM 1016 OD1 ASN A 69 8.206 -0.701 11.821 1.00 0.00 O ATOM 1017 ND2 ASN A 69 8.111 0.999 13.294 1.00 0.00 N ATOM 0 H ASN A 69 6.241 0.292 10.846 1.00 0.00 H new ATOM 0 HA ASN A 69 6.822 2.958 11.439 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.771 1.081 10.068 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.105 2.298 11.284 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.003 0.377 14.095 1.00 0.00 H new ATOM 0 HD22 ASN A 69 8.133 2.009 13.432 1.00 0.00 H new ATOM 1024 N ARG A 70 7.448 2.057 8.296 1.00 0.00 N ATOM 1025 CA ARG A 70 7.582 2.545 6.934 1.00 0.00 C ATOM 1026 C ARG A 70 6.408 3.461 6.580 1.00 0.00 C ATOM 1027 O ARG A 70 6.599 4.519 5.982 1.00 0.00 O ATOM 1028 CB ARG A 70 7.635 1.387 5.936 1.00 0.00 C ATOM 1029 CG ARG A 70 8.849 0.493 6.198 1.00 0.00 C ATOM 1030 CD ARG A 70 10.153 1.254 5.951 1.00 0.00 C ATOM 1031 NE ARG A 70 11.307 0.336 6.077 1.00 0.00 N ATOM 1032 CZ ARG A 70 12.513 0.567 5.540 1.00 0.00 C ATOM 1033 NH1 ARG A 70 12.730 1.687 4.837 1.00 0.00 N ATOM 1034 NH2 ARG A 70 13.501 -0.323 5.706 1.00 0.00 N ATOM 0 H ARG A 70 7.603 1.055 8.407 1.00 0.00 H new ATOM 0 HA ARG A 70 8.515 3.105 6.873 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.722 0.797 6.009 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.680 1.779 4.920 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.824 0.131 7.226 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.807 -0.383 5.551 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.140 1.701 4.957 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.248 2.071 6.666 1.00 0.00 H new ATOM 0 HE ARG A 70 11.176 -0.526 6.606 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.977 2.364 4.711 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.648 1.863 4.428 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.335 -1.176 6.241 1.00 0.00 H new ATOM 0 HH22 ARG A 70 14.419 -0.148 5.298 1.00 0.00 H new ATOM 1048 N ALA A 71 5.219 3.021 6.964 1.00 0.00 N ATOM 1049 CA ALA A 71 4.014 3.787 6.695 1.00 0.00 C ATOM 1050 C ALA A 71 4.125 5.157 7.368 1.00 0.00 C ATOM 1051 O ALA A 71 4.024 6.188 6.705 1.00 0.00 O ATOM 1052 CB ALA A 71 2.791 3.001 7.173 1.00 0.00 C ATOM 0 H ALA A 71 5.064 2.143 7.460 1.00 0.00 H new ATOM 0 HA ALA A 71 3.897 3.953 5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.887 3.576 6.971 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.741 2.049 6.645 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.872 2.817 8.244 1.00 0.00 H new ATOM 1058 N ILE A 72 4.332 5.123 8.676 1.00 0.00 N ATOM 1059 CA ILE A 72 4.458 6.349 9.446 1.00 0.00 C ATOM 1060 C ILE A 72 5.397 7.311 8.714 1.00 0.00 C ATOM 1061 O ILE A 72 5.100 8.498 8.588 1.00 0.00 O ATOM 1062 CB ILE A 72 4.891 6.039 10.880 1.00 0.00 C ATOM 1063 CG1 ILE A 72 3.762 5.360 11.658 1.00 0.00 C ATOM 1064 CG2 ILE A 72 5.395 7.300 11.585 1.00 0.00 C ATOM 1065 CD1 ILE A 72 4.318 4.338 12.652 1.00 0.00 C ATOM 0 H ILE A 72 4.416 4.266 9.222 1.00 0.00 H new ATOM 0 HA ILE A 72 3.492 6.847 9.530 1.00 0.00 H new ATOM 0 HB ILE A 72 5.724 5.337 10.842 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.180 6.112 12.191 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.083 4.865 10.963 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.697 7.052 12.603 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.249 7.704 11.042 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.599 8.044 11.614 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.495 3.870 13.192 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.879 3.574 12.113 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.977 4.840 13.360 1.00 0.00 H new ATOM 1077 N ASN A 73 6.511 6.762 8.252 1.00 0.00 N ATOM 1078 CA ASN A 73 7.496 7.557 7.537 1.00 0.00 C ATOM 1079 C ASN A 73 6.809 8.298 6.388 1.00 0.00 C ATOM 1080 O ASN A 73 7.147 9.444 6.094 1.00 0.00 O ATOM 1081 CB ASN A 73 8.591 6.670 6.940 1.00 0.00 C ATOM 1082 CG ASN A 73 9.927 6.898 7.649 1.00 0.00 C ATOM 1083 OD1 ASN A 73 10.661 7.830 7.362 1.00 0.00 O ATOM 1084 ND2 ASN A 73 10.202 5.998 8.588 1.00 0.00 N ATOM 0 H ASN A 73 6.753 5.777 8.359 1.00 0.00 H new ATOM 0 HA ASN A 73 7.943 8.256 8.244 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.303 5.622 7.027 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.698 6.884 5.877 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.071 6.063 9.118 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.544 5.242 8.778 1.00 0.00 H new ATOM 1091 N VAL A 74 5.858 7.614 5.769 1.00 0.00 N ATOM 1092 CA VAL A 74 5.121 8.193 4.659 1.00 0.00 C ATOM 1093 C VAL A 74 3.986 9.062 5.204 1.00 0.00 C ATOM 1094 O VAL A 74 3.855 10.226 4.828 1.00 0.00 O ATOM 1095 CB VAL A 74 4.631 7.087 3.723 1.00 0.00 C ATOM 1096 CG1 VAL A 74 3.903 7.676 2.513 1.00 0.00 C ATOM 1097 CG2 VAL A 74 5.788 6.188 3.282 1.00 0.00 C ATOM 0 H VAL A 74 5.581 6.664 6.015 1.00 0.00 H new ATOM 0 HA VAL A 74 5.768 8.839 4.066 1.00 0.00 H new ATOM 0 HB VAL A 74 3.921 6.472 4.275 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.565 6.869 1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.043 8.254 2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.582 8.326 1.961 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.412 5.410 2.617 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.533 6.785 2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.245 5.727 4.158 1.00 0.00 H new ATOM 1107 N LEU A 75 3.194 8.463 6.081 1.00 0.00 N ATOM 1108 CA LEU A 75 2.074 9.168 6.682 1.00 0.00 C ATOM 1109 C LEU A 75 2.547 10.533 7.184 1.00 0.00 C ATOM 1110 O LEU A 75 2.003 11.565 6.793 1.00 0.00 O ATOM 1111 CB LEU A 75 1.418 8.308 7.764 1.00 0.00 C ATOM 1112 CG LEU A 75 0.333 7.340 7.286 1.00 0.00 C ATOM 1113 CD1 LEU A 75 0.168 6.175 8.263 1.00 0.00 C ATOM 1114 CD2 LEU A 75 -0.987 8.074 7.041 1.00 0.00 C ATOM 0 H LEU A 75 3.305 7.497 6.390 1.00 0.00 H new ATOM 0 HA LEU A 75 1.297 9.352 5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.197 7.732 8.264 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.982 8.970 8.512 1.00 0.00 H new ATOM 0 HG LEU A 75 0.649 6.917 6.332 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.609 5.503 7.899 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.110 5.632 8.344 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.114 6.559 9.243 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.741 7.363 6.702 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.320 8.543 7.967 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.842 8.840 6.279 1.00 0.00 H new ATOM 1126 N LEU A 76 3.554 10.496 8.043 1.00 0.00 N ATOM 1127 CA LEU A 76 4.106 11.718 8.603 1.00 0.00 C ATOM 1128 C LEU A 76 4.207 12.777 7.504 1.00 0.00 C ATOM 1129 O LEU A 76 3.648 13.865 7.633 1.00 0.00 O ATOM 1130 CB LEU A 76 5.435 11.433 9.306 1.00 0.00 C ATOM 1131 CG LEU A 76 5.340 10.732 10.662 1.00 0.00 C ATOM 1132 CD1 LEU A 76 6.689 10.133 11.066 1.00 0.00 C ATOM 1133 CD2 LEU A 76 4.791 11.679 11.731 1.00 0.00 C ATOM 0 H LEU A 76 4.003 9.639 8.365 1.00 0.00 H new ATOM 0 HA LEU A 76 3.444 12.117 9.372 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.049 10.821 8.645 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.960 12.378 9.444 1.00 0.00 H new ATOM 0 HG LEU A 76 4.635 9.906 10.570 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.593 9.641 12.034 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.003 9.405 10.318 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.433 10.926 11.135 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.733 11.156 12.686 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.452 12.540 11.828 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.796 12.016 11.442 1.00 0.00 H new ATOM 1145 N GLU A 77 4.923 12.422 6.448 1.00 0.00 N ATOM 1146 CA GLU A 77 5.104 13.329 5.327 1.00 0.00 C ATOM 1147 C GLU A 77 4.640 12.667 4.028 1.00 0.00 C ATOM 1148 O GLU A 77 3.462 12.734 3.679 1.00 0.00 O ATOM 1149 CB GLU A 77 6.560 13.785 5.220 1.00 0.00 C ATOM 1150 CG GLU A 77 6.929 14.719 6.374 1.00 0.00 C ATOM 1151 CD GLU A 77 7.404 16.076 5.850 1.00 0.00 C ATOM 1152 OE1 GLU A 77 8.598 16.159 5.491 1.00 0.00 O ATOM 1153 OE2 GLU A 77 6.562 17.000 5.822 1.00 0.00 O ATOM 0 H GLU A 77 5.385 11.519 6.344 1.00 0.00 H new ATOM 0 HA GLU A 77 4.492 14.215 5.499 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.218 12.916 5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.716 14.296 4.270 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.065 14.858 7.024 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.713 14.264 6.979 1.00 0.00 H new ATOM 1160 N GLY A 78 5.589 12.042 3.348 1.00 0.00 N ATOM 1161 CA GLY A 78 5.293 11.368 2.095 1.00 0.00 C ATOM 1162 C GLY A 78 6.188 11.887 0.968 1.00 0.00 C ATOM 1163 O GLY A 78 7.169 12.584 1.220 1.00 0.00 O ATOM 0 H GLY A 78 6.565 11.988 3.641 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.437 10.294 2.213 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.246 11.523 1.833 1.00 0.00 H new ATOM 1167 N ASN A 79 5.817 11.527 -0.252 1.00 0.00 N ATOM 1168 CA ASN A 79 6.574 11.947 -1.419 1.00 0.00 C ATOM 1169 C ASN A 79 6.590 13.475 -1.488 1.00 0.00 C ATOM 1170 O ASN A 79 5.554 14.119 -1.327 1.00 0.00 O ATOM 1171 CB ASN A 79 5.937 11.423 -2.707 1.00 0.00 C ATOM 1172 CG ASN A 79 5.918 9.893 -2.727 1.00 0.00 C ATOM 1173 OD1 ASN A 79 4.941 9.254 -2.372 1.00 0.00 O ATOM 1174 ND2 ASN A 79 7.049 9.344 -3.161 1.00 0.00 N ATOM 0 H ASN A 79 5.002 10.949 -0.458 1.00 0.00 H new ATOM 0 HA ASN A 79 7.584 11.547 -1.327 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.920 11.804 -2.795 1.00 0.00 H new ATOM 0 HB3 ASN A 79 6.492 11.795 -3.569 1.00 0.00 H new ATOM 0 HD21 ASN A 79 7.136 8.329 -3.212 1.00 0.00 H new ATOM 0 HD22 ASN A 79 7.829 9.938 -3.443 1.00 0.00 H new ATOM 1181 N PRO A 80 7.809 14.027 -1.733 1.00 0.00 N ATOM 1182 CA PRO A 80 7.974 15.468 -1.824 1.00 0.00 C ATOM 1183 C PRO A 80 7.428 15.998 -3.152 1.00 0.00 C ATOM 1184 O PRO A 80 8.186 16.491 -3.986 1.00 0.00 O ATOM 1185 CB PRO A 80 9.466 15.704 -1.659 1.00 0.00 C ATOM 1186 CG PRO A 80 10.134 14.369 -1.945 1.00 0.00 C ATOM 1187 CD PRO A 80 9.058 13.296 -1.928 1.00 0.00 C ATOM 0 HA PRO A 80 7.413 16.006 -1.060 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.818 16.472 -2.347 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.698 16.049 -0.651 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.634 14.392 -2.913 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.897 14.156 -1.197 1.00 0.00 H new ATOM 0 HD2 PRO A 80 9.046 12.733 -2.861 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.227 12.579 -1.125 1.00 0.00 H new ATOM 1195 N ASP A 81 6.117 15.881 -3.305 1.00 0.00 N ATOM 1196 CA ASP A 81 5.461 16.342 -4.517 1.00 0.00 C ATOM 1197 C ASP A 81 6.239 15.841 -5.735 1.00 0.00 C ATOM 1198 O ASP A 81 6.887 16.625 -6.428 1.00 0.00 O ATOM 1199 CB ASP A 81 5.425 17.871 -4.575 1.00 0.00 C ATOM 1200 CG ASP A 81 4.626 18.542 -3.456 1.00 0.00 C ATOM 1201 OD1 ASP A 81 3.974 17.793 -2.696 1.00 0.00 O ATOM 1202 OD2 ASP A 81 4.684 19.788 -3.385 1.00 0.00 O ATOM 0 H ASP A 81 5.491 15.474 -2.610 1.00 0.00 H new ATOM 0 HA ASP A 81 4.441 15.956 -4.517 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.448 18.245 -4.545 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.003 18.173 -5.534 1.00 0.00 H new ATOM 1207 N THR A 82 6.149 14.539 -5.960 1.00 0.00 N ATOM 1208 CA THR A 82 6.837 13.924 -7.083 1.00 0.00 C ATOM 1209 C THR A 82 5.881 13.757 -8.266 1.00 0.00 C ATOM 1210 O THR A 82 4.702 13.461 -8.080 1.00 0.00 O ATOM 1211 CB THR A 82 7.444 12.605 -6.602 1.00 0.00 C ATOM 1212 OG1 THR A 82 8.299 12.206 -7.669 1.00 0.00 O ATOM 1213 CG2 THR A 82 6.409 11.482 -6.514 1.00 0.00 C ATOM 0 H THR A 82 5.610 13.892 -5.384 1.00 0.00 H new ATOM 0 HA THR A 82 7.647 14.557 -7.446 1.00 0.00 H new ATOM 0 HB THR A 82 7.904 12.753 -5.625 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.735 11.359 -7.439 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.892 10.568 -6.168 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.624 11.765 -5.813 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.973 11.311 -7.498 1.00 0.00 H new ATOM 1221 N HIS A 83 6.426 13.954 -9.458 1.00 0.00 N ATOM 1222 CA HIS A 83 5.636 13.829 -10.672 1.00 0.00 C ATOM 1223 C HIS A 83 5.152 12.386 -10.822 1.00 0.00 C ATOM 1224 O HIS A 83 3.959 12.111 -10.696 1.00 0.00 O ATOM 1225 CB HIS A 83 6.426 14.319 -11.887 1.00 0.00 C ATOM 1226 CG HIS A 83 5.692 15.335 -12.728 1.00 0.00 C ATOM 1227 ND1 HIS A 83 6.077 15.661 -14.017 1.00 0.00 N ATOM 1228 CD2 HIS A 83 4.591 16.092 -12.452 1.00 0.00 C ATOM 1229 CE1 HIS A 83 5.240 16.575 -14.485 1.00 0.00 C ATOM 1230 NE2 HIS A 83 4.320 16.841 -13.514 1.00 0.00 N ATOM 0 H HIS A 83 7.405 14.199 -9.609 1.00 0.00 H new ATOM 0 HA HIS A 83 4.754 14.466 -10.604 1.00 0.00 H new ATOM 0 HB2 HIS A 83 7.365 14.755 -11.545 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.681 13.462 -12.511 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.034 16.083 -11.527 1.00 0.00 H new ATOM 0 HE1 HIS A 83 5.279 17.030 -15.464 1.00 0.00 H new ATOM 0 HE2 HIS A 83 3.550 17.506 -13.591 1.00 0.00 H new ATOM 1238 N SER A 84 6.102 11.501 -11.089 1.00 0.00 N ATOM 1239 CA SER A 84 5.787 10.093 -11.258 1.00 0.00 C ATOM 1240 C SER A 84 6.906 9.232 -10.669 1.00 0.00 C ATOM 1241 O SER A 84 8.065 9.361 -11.061 1.00 0.00 O ATOM 1242 CB SER A 84 5.574 9.749 -12.734 1.00 0.00 C ATOM 1243 OG SER A 84 4.658 8.672 -12.904 1.00 0.00 O ATOM 0 H SER A 84 7.090 11.732 -11.192 1.00 0.00 H new ATOM 0 HA SER A 84 4.858 9.885 -10.727 1.00 0.00 H new ATOM 0 HB2 SER A 84 5.202 10.628 -13.261 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.530 9.487 -13.187 1.00 0.00 H new ATOM 0 HG SER A 84 4.548 8.484 -13.859 1.00 0.00 H new ATOM 1249 N TRP A 85 6.520 8.374 -9.736 1.00 0.00 N ATOM 1250 CA TRP A 85 7.476 7.492 -9.089 1.00 0.00 C ATOM 1251 C TRP A 85 6.692 6.460 -8.275 1.00 0.00 C ATOM 1252 O TRP A 85 5.842 6.821 -7.463 1.00 0.00 O ATOM 1253 CB TRP A 85 8.472 8.289 -8.244 1.00 0.00 C ATOM 1254 CG TRP A 85 9.856 8.429 -8.880 1.00 0.00 C ATOM 1255 CD1 TRP A 85 10.390 9.511 -9.463 1.00 0.00 C ATOM 1256 CD2 TRP A 85 10.867 7.404 -8.975 1.00 0.00 C ATOM 1257 NE1 TRP A 85 11.666 9.259 -9.924 1.00 0.00 N ATOM 1258 CE2 TRP A 85 11.965 7.937 -9.618 1.00 0.00 C ATOM 1259 CE3 TRP A 85 10.854 6.069 -8.531 1.00 0.00 C ATOM 1260 CZ2 TRP A 85 13.132 7.207 -9.876 1.00 0.00 C ATOM 1261 CZ3 TRP A 85 12.027 5.353 -8.797 1.00 0.00 C ATOM 1262 CH2 TRP A 85 13.141 5.875 -9.444 1.00 0.00 C ATOM 0 H TRP A 85 5.558 8.271 -9.413 1.00 0.00 H new ATOM 0 HA TRP A 85 8.078 6.966 -9.830 1.00 0.00 H new ATOM 0 HB2 TRP A 85 8.065 9.284 -8.063 1.00 0.00 H new ATOM 0 HB3 TRP A 85 8.577 7.806 -7.273 1.00 0.00 H new ATOM 0 HD1 TRP A 85 9.885 10.461 -9.560 1.00 0.00 H new ATOM 0 HE1 TRP A 85 12.277 9.921 -10.402 1.00 0.00 H new ATOM 0 HE3 TRP A 85 10.006 5.631 -8.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 13.979 7.647 -10.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 12.069 4.322 -8.477 1.00 0.00 H new ATOM 0 HH2 TRP A 85 14.010 5.256 -9.613 1.00 0.00 H new ATOM 1273 N GLU A 86 7.007 5.197 -8.521 1.00 0.00 N ATOM 1274 CA GLU A 86 6.343 4.111 -7.821 1.00 0.00 C ATOM 1275 C GLU A 86 4.854 4.084 -8.173 1.00 0.00 C ATOM 1276 O GLU A 86 4.277 5.111 -8.525 1.00 0.00 O ATOM 1277 CB GLU A 86 6.546 4.227 -6.309 1.00 0.00 C ATOM 1278 CG GLU A 86 6.213 2.909 -5.608 1.00 0.00 C ATOM 1279 CD GLU A 86 6.437 3.019 -4.098 1.00 0.00 C ATOM 1280 OE1 GLU A 86 6.168 4.116 -3.563 1.00 0.00 O ATOM 1281 OE2 GLU A 86 6.873 2.003 -3.513 1.00 0.00 O ATOM 0 H GLU A 86 7.713 4.902 -9.195 1.00 0.00 H new ATOM 0 HA GLU A 86 6.790 3.171 -8.143 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.579 4.505 -6.097 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.915 5.023 -5.914 1.00 0.00 H new ATOM 0 HG2 GLU A 86 5.176 2.639 -5.807 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.833 2.110 -6.014 1.00 0.00 H new ATOM 1288 N MET A 87 4.275 2.897 -8.067 1.00 0.00 N ATOM 1289 CA MET A 87 2.865 2.722 -8.370 1.00 0.00 C ATOM 1290 C MET A 87 2.567 3.091 -9.825 1.00 0.00 C ATOM 1291 O MET A 87 3.218 3.967 -10.392 1.00 0.00 O ATOM 1292 CB MET A 87 2.029 3.603 -7.439 1.00 0.00 C ATOM 1293 CG MET A 87 0.609 3.053 -7.292 1.00 0.00 C ATOM 1294 SD MET A 87 -0.511 4.367 -6.839 1.00 0.00 S ATOM 1295 CE MET A 87 -1.727 4.198 -8.135 1.00 0.00 C ATOM 0 H MET A 87 4.757 2.047 -7.775 1.00 0.00 H new ATOM 0 HA MET A 87 2.608 1.673 -8.220 1.00 0.00 H new ATOM 0 HB2 MET A 87 2.505 3.658 -6.460 1.00 0.00 H new ATOM 0 HB3 MET A 87 1.990 4.619 -7.832 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.288 2.597 -8.229 1.00 0.00 H new ATOM 0 HG3 MET A 87 0.590 2.270 -6.534 1.00 0.00 H new ATOM 0 HE1 MET A 87 -2.716 4.431 -7.739 1.00 0.00 H new ATOM 0 HE2 MET A 87 -1.491 4.885 -8.948 1.00 0.00 H new ATOM 0 HE3 MET A 87 -1.718 3.175 -8.511 1.00 0.00 H new ATOM 1305 N VAL A 88 1.583 2.404 -10.387 1.00 0.00 N ATOM 1306 CA VAL A 88 1.191 2.649 -11.764 1.00 0.00 C ATOM 1307 C VAL A 88 0.163 3.781 -11.804 1.00 0.00 C ATOM 1308 O VAL A 88 -0.843 3.735 -11.098 1.00 0.00 O ATOM 1309 CB VAL A 88 0.681 1.354 -12.401 1.00 0.00 C ATOM 1310 CG1 VAL A 88 0.071 1.624 -13.778 1.00 0.00 C ATOM 1311 CG2 VAL A 88 1.796 0.310 -12.490 1.00 0.00 C ATOM 0 H VAL A 88 1.046 1.678 -9.913 1.00 0.00 H new ATOM 0 HA VAL A 88 2.049 2.970 -12.354 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.103 0.952 -11.760 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.284 0.688 -14.209 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.765 2.316 -13.676 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.826 2.061 -14.431 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.407 -0.600 -12.946 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.612 0.700 -13.098 1.00 0.00 H new ATOM 0 HG23 VAL A 88 2.165 0.085 -11.489 1.00 0.00 H new ATOM 1321 N GLY A 89 0.451 4.770 -12.638 1.00 0.00 N ATOM 1322 CA GLY A 89 -0.437 5.912 -12.779 1.00 0.00 C ATOM 1323 C GLY A 89 -1.373 5.734 -13.976 1.00 0.00 C ATOM 1324 O GLY A 89 -0.997 6.024 -15.111 1.00 0.00 O ATOM 0 H GLY A 89 1.286 4.804 -13.223 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.024 6.035 -11.869 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.151 6.821 -12.905 1.00 0.00 H new ATOM 1328 N LYS A 90 -2.574 5.258 -13.682 1.00 0.00 N ATOM 1329 CA LYS A 90 -3.566 5.038 -14.720 1.00 0.00 C ATOM 1330 C LYS A 90 -4.950 5.413 -14.184 1.00 0.00 C ATOM 1331 O LYS A 90 -5.172 5.414 -12.974 1.00 0.00 O ATOM 1332 CB LYS A 90 -3.479 3.606 -15.250 1.00 0.00 C ATOM 1333 CG LYS A 90 -4.188 3.476 -16.599 1.00 0.00 C ATOM 1334 CD LYS A 90 -4.188 2.024 -17.081 1.00 0.00 C ATOM 1335 CE LYS A 90 -4.115 1.953 -18.608 1.00 0.00 C ATOM 1336 NZ LYS A 90 -2.755 1.563 -19.044 1.00 0.00 N ATOM 0 H LYS A 90 -2.882 5.019 -12.740 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.370 5.682 -15.577 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.433 3.317 -15.355 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.929 2.921 -14.531 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.214 3.833 -16.511 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.693 4.108 -17.336 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.340 1.493 -16.648 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.090 1.521 -16.733 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.843 1.232 -18.980 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.377 2.921 -19.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.723 1.519 -20.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.067 2.266 -18.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.519 0.630 -18.651 1.00 0.00 H new ATOM 1350 N LYS A 91 -5.844 5.722 -15.111 1.00 0.00 N ATOM 1351 CA LYS A 91 -7.200 6.098 -14.748 1.00 0.00 C ATOM 1352 C LYS A 91 -8.166 4.997 -15.191 1.00 0.00 C ATOM 1353 O LYS A 91 -7.928 4.325 -16.194 1.00 0.00 O ATOM 1354 CB LYS A 91 -7.542 7.479 -15.309 1.00 0.00 C ATOM 1355 CG LYS A 91 -6.892 8.586 -14.476 1.00 0.00 C ATOM 1356 CD LYS A 91 -7.544 9.941 -14.759 1.00 0.00 C ATOM 1357 CE LYS A 91 -6.991 11.021 -13.828 1.00 0.00 C ATOM 1358 NZ LYS A 91 -6.970 12.333 -14.511 1.00 0.00 N ATOM 0 H LYS A 91 -5.656 5.720 -16.114 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.293 6.188 -13.666 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.203 7.550 -16.342 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.624 7.614 -15.319 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.983 8.349 -13.416 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.827 8.637 -14.701 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.366 10.224 -15.796 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.624 9.863 -14.630 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.604 11.082 -12.929 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.983 10.754 -13.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.592 13.055 -13.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.367 12.275 -15.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.937 12.593 -14.793 1.00 0.00 H new ATOM 1372 N LYS A 92 -9.235 4.848 -14.423 1.00 0.00 N ATOM 1373 CA LYS A 92 -10.238 3.841 -14.725 1.00 0.00 C ATOM 1374 C LYS A 92 -11.599 4.312 -14.210 1.00 0.00 C ATOM 1375 O LYS A 92 -11.679 5.276 -13.450 1.00 0.00 O ATOM 1376 CB LYS A 92 -9.811 2.478 -14.176 1.00 0.00 C ATOM 1377 CG LYS A 92 -10.478 1.340 -14.951 1.00 0.00 C ATOM 1378 CD LYS A 92 -9.775 0.008 -14.684 1.00 0.00 C ATOM 1379 CE LYS A 92 -10.446 -0.745 -13.534 1.00 0.00 C ATOM 1380 NZ LYS A 92 -9.427 -1.333 -12.635 1.00 0.00 N ATOM 0 H LYS A 92 -9.429 5.407 -13.592 1.00 0.00 H new ATOM 0 HA LYS A 92 -10.333 3.709 -15.803 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -8.727 2.380 -14.240 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.076 2.408 -13.121 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -11.527 1.266 -14.664 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -10.455 1.560 -16.018 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.795 -0.605 -15.585 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.727 0.188 -14.444 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -11.087 -0.066 -12.972 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -11.087 -1.532 -13.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -9.899 -1.841 -11.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -8.832 -1.996 -13.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -8.833 -0.576 -12.241 1.00 0.00 H new ATOM 1394 N GLY A 93 -12.636 3.610 -14.643 1.00 0.00 N ATOM 1395 CA GLY A 93 -13.990 3.945 -14.235 1.00 0.00 C ATOM 1396 C GLY A 93 -15.020 3.232 -15.114 1.00 0.00 C ATOM 1397 O GLY A 93 -14.726 2.873 -16.253 1.00 0.00 O ATOM 0 H GLY A 93 -12.566 2.810 -15.272 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.140 3.664 -13.193 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -14.137 5.023 -14.299 1.00 0.00 H new ATOM 1401 N VAL A 94 -16.205 3.048 -14.551 1.00 0.00 N ATOM 1402 CA VAL A 94 -17.279 2.384 -15.269 1.00 0.00 C ATOM 1403 C VAL A 94 -18.289 3.429 -15.748 1.00 0.00 C ATOM 1404 O VAL A 94 -18.975 3.223 -16.747 1.00 0.00 O ATOM 1405 CB VAL A 94 -17.910 1.305 -14.386 1.00 0.00 C ATOM 1406 CG1 VAL A 94 -18.305 1.874 -13.022 1.00 0.00 C ATOM 1407 CG2 VAL A 94 -19.112 0.662 -15.081 1.00 0.00 C ATOM 0 H VAL A 94 -16.445 3.347 -13.606 1.00 0.00 H new ATOM 0 HA VAL A 94 -16.891 1.877 -16.153 1.00 0.00 H new ATOM 0 HB VAL A 94 -17.163 0.528 -14.221 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -18.751 1.086 -12.415 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -17.419 2.262 -12.519 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -19.027 2.679 -13.159 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -19.542 -0.101 -14.432 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -19.862 1.425 -15.291 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -18.789 0.204 -16.016 1.00 0.00 H new ATOM 1417 N SER A 95 -18.347 4.530 -15.012 1.00 0.00 N ATOM 1418 CA SER A 95 -19.261 5.608 -15.349 1.00 0.00 C ATOM 1419 C SER A 95 -18.858 6.886 -14.612 1.00 0.00 C ATOM 1420 O SER A 95 -18.468 7.871 -15.237 1.00 0.00 O ATOM 1421 CB SER A 95 -20.705 5.232 -15.009 1.00 0.00 C ATOM 1422 OG SER A 95 -21.636 6.196 -15.494 1.00 0.00 O ATOM 0 H SER A 95 -17.776 4.698 -14.184 1.00 0.00 H new ATOM 0 HA SER A 95 -19.203 5.782 -16.423 1.00 0.00 H new ATOM 0 HB2 SER A 95 -20.936 4.257 -15.438 1.00 0.00 H new ATOM 0 HB3 SER A 95 -20.810 5.138 -13.928 1.00 0.00 H new ATOM 0 HG SER A 95 -22.546 5.919 -15.258 1.00 0.00 H new ATOM 1428 N GLY A 96 -18.965 6.829 -13.292 1.00 0.00 N ATOM 1429 CA GLY A 96 -18.615 7.970 -12.463 1.00 0.00 C ATOM 1430 C GLY A 96 -18.544 7.573 -10.987 1.00 0.00 C ATOM 1431 O GLY A 96 -17.863 6.613 -10.630 1.00 0.00 O ATOM 0 H GLY A 96 -19.289 6.011 -12.777 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -17.654 8.374 -12.781 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -19.353 8.761 -12.596 1.00 0.00 H new ATOM 1435 N GLN A 97 -19.257 8.333 -10.168 1.00 0.00 N ATOM 1436 CA GLN A 97 -19.284 8.073 -8.739 1.00 0.00 C ATOM 1437 C GLN A 97 -19.957 6.729 -8.456 1.00 0.00 C ATOM 1438 O GLN A 97 -20.882 6.333 -9.163 1.00 0.00 O ATOM 1439 CB GLN A 97 -19.986 9.206 -7.988 1.00 0.00 C ATOM 1440 CG GLN A 97 -21.480 9.238 -8.317 1.00 0.00 C ATOM 1441 CD GLN A 97 -22.075 10.618 -8.029 1.00 0.00 C ATOM 1442 OE1 GLN A 97 -21.501 11.648 -8.342 1.00 0.00 O ATOM 1443 NE2 GLN A 97 -23.256 10.581 -7.418 1.00 0.00 N ATOM 0 H GLN A 97 -19.820 9.129 -10.467 1.00 0.00 H new ATOM 0 HA GLN A 97 -18.256 8.025 -8.380 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -19.849 9.075 -6.915 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -19.531 10.160 -8.254 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -21.630 8.985 -9.366 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -22.002 8.483 -7.729 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -23.681 9.684 -7.184 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -23.736 11.450 -7.184 1.00 0.00 H new ATOM 1452 N LYS A 98 -19.466 6.063 -7.421 1.00 0.00 N ATOM 1453 CA LYS A 98 -20.009 4.772 -7.036 1.00 0.00 C ATOM 1454 C LYS A 98 -21.421 4.962 -6.479 1.00 0.00 C ATOM 1455 O LYS A 98 -21.600 5.571 -5.425 1.00 0.00 O ATOM 1456 CB LYS A 98 -19.059 4.057 -6.072 1.00 0.00 C ATOM 1457 CG LYS A 98 -18.594 5.000 -4.961 1.00 0.00 C ATOM 1458 CD LYS A 98 -18.175 4.216 -3.716 1.00 0.00 C ATOM 1459 CE LYS A 98 -19.298 4.193 -2.678 1.00 0.00 C ATOM 1460 NZ LYS A 98 -19.435 5.519 -2.034 1.00 0.00 N ATOM 0 H LYS A 98 -18.698 6.394 -6.837 1.00 0.00 H new ATOM 0 HA LYS A 98 -20.094 4.121 -7.906 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -19.561 3.194 -5.635 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -18.195 3.680 -6.620 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.756 5.601 -5.316 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -19.397 5.692 -4.706 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -17.913 3.196 -3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -17.283 4.667 -3.281 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -20.237 3.915 -3.156 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -19.088 3.435 -1.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -19.532 5.397 -1.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -18.591 6.092 -2.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -20.278 6.000 -2.406 1.00 0.00 H new ATOM 1474 N SER A 99 -22.388 4.429 -7.211 1.00 0.00 N ATOM 1475 CA SER A 99 -23.779 4.533 -6.804 1.00 0.00 C ATOM 1476 C SER A 99 -24.361 5.871 -7.264 1.00 0.00 C ATOM 1477 O SER A 99 -23.661 6.883 -7.281 1.00 0.00 O ATOM 1478 CB SER A 99 -23.921 4.385 -5.288 1.00 0.00 C ATOM 1479 OG SER A 99 -25.226 3.954 -4.913 1.00 0.00 O ATOM 0 H SER A 99 -22.236 3.924 -8.084 1.00 0.00 H new ATOM 0 HA SER A 99 -24.335 3.722 -7.275 1.00 0.00 H new ATOM 0 HB2 SER A 99 -23.184 3.669 -4.923 1.00 0.00 H new ATOM 0 HB3 SER A 99 -23.703 5.339 -4.809 1.00 0.00 H new ATOM 0 HG SER A 99 -25.275 3.870 -3.938 1.00 0.00 H new ATOM 1485 N GLY A 100 -25.635 5.833 -7.624 1.00 0.00 N ATOM 1486 CA GLY A 100 -26.319 7.030 -8.083 1.00 0.00 C ATOM 1487 C GLY A 100 -27.297 6.704 -9.214 1.00 0.00 C ATOM 1488 O GLY A 100 -28.483 6.491 -8.971 1.00 0.00 O ATOM 0 H GLY A 100 -26.212 4.992 -7.607 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -26.857 7.486 -7.252 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -25.588 7.761 -8.429 1.00 0.00 H new ATOM 1492 N PRO A 101 -26.747 6.674 -10.457 1.00 0.00 N ATOM 1493 CA PRO A 101 -27.558 6.378 -11.626 1.00 0.00 C ATOM 1494 C PRO A 101 -27.890 4.886 -11.699 1.00 0.00 C ATOM 1495 O PRO A 101 -27.156 4.112 -12.313 1.00 0.00 O ATOM 1496 CB PRO A 101 -26.734 6.862 -12.809 1.00 0.00 C ATOM 1497 CG PRO A 101 -25.307 6.984 -12.301 1.00 0.00 C ATOM 1498 CD PRO A 101 -25.346 6.921 -10.783 1.00 0.00 C ATOM 0 HA PRO A 101 -28.528 6.876 -11.603 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -26.794 6.159 -13.640 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -27.102 7.821 -13.175 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -24.689 6.180 -12.701 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -24.862 7.922 -12.633 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -24.705 6.125 -10.403 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -24.995 7.852 -10.339 1.00 0.00 H new ATOM 1506 N SER A 102 -28.996 4.527 -11.065 1.00 0.00 N ATOM 1507 CA SER A 102 -29.434 3.141 -11.050 1.00 0.00 C ATOM 1508 C SER A 102 -30.864 3.039 -11.585 1.00 0.00 C ATOM 1509 O SER A 102 -31.098 2.433 -12.630 1.00 0.00 O ATOM 1510 CB SER A 102 -29.351 2.552 -9.641 1.00 0.00 C ATOM 1511 OG SER A 102 -30.038 3.356 -8.685 1.00 0.00 O ATOM 0 H SER A 102 -29.602 5.171 -10.558 1.00 0.00 H new ATOM 0 HA SER A 102 -28.770 2.565 -11.694 1.00 0.00 H new ATOM 0 HB2 SER A 102 -29.775 1.548 -9.642 1.00 0.00 H new ATOM 0 HB3 SER A 102 -28.305 2.456 -9.349 1.00 0.00 H new ATOM 0 HG SER A 102 -29.963 2.946 -7.798 1.00 0.00 H new ATOM 1517 N SER A 103 -31.783 3.641 -10.845 1.00 0.00 N ATOM 1518 CA SER A 103 -33.183 3.625 -11.231 1.00 0.00 C ATOM 1519 C SER A 103 -33.919 4.800 -10.583 1.00 0.00 C ATOM 1520 O SER A 103 -33.541 5.254 -9.504 1.00 0.00 O ATOM 1521 CB SER A 103 -33.847 2.303 -10.842 1.00 0.00 C ATOM 1522 OG SER A 103 -33.191 1.183 -11.429 1.00 0.00 O ATOM 0 H SER A 103 -31.585 4.143 -9.980 1.00 0.00 H new ATOM 0 HA SER A 103 -33.239 3.723 -12.315 1.00 0.00 H new ATOM 0 HB2 SER A 103 -33.840 2.199 -9.757 1.00 0.00 H new ATOM 0 HB3 SER A 103 -34.891 2.316 -11.154 1.00 0.00 H new ATOM 0 HG SER A 103 -33.644 0.358 -11.155 1.00 0.00 H new ATOM 1528 N GLY A 104 -34.956 5.258 -11.268 1.00 0.00 N ATOM 1529 CA GLY A 104 -35.747 6.371 -10.772 1.00 0.00 C ATOM 1530 C GLY A 104 -35.555 7.613 -11.645 1.00 0.00 C ATOM 1531 O GLY A 104 -36.449 7.988 -12.402 1.00 0.00 O ATOM 0 H GLY A 104 -35.267 4.879 -12.162 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -36.801 6.094 -10.755 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -35.460 6.596 -9.745 1.00 0.00 H new TER 1535 GLY A 104