USER MOD reduce.3.24.130724 H: found=0, std=0, add=1253, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1248 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 109 HIS : no HD1:sc= -1.92 K(o=-1.9,f=-2.5) USER MOD Set 1.2: A 116 SER OG : rot 150:sc= 0 USER MOD Set 2.1: A 110 SER OG : rot -84:sc= 0.955 USER MOD Set 2.2: A 117 THR OG1 : rot 180:sc= -0.274 USER MOD Set 3.1: A 76 CYS SG : rot 86:sc= 1.21 USER MOD Set 3.2: A 120 SER OG : rot 95:sc= 1.42 USER MOD Set 4.1: A 75 MET CE :methyl 178:sc= -0.333 (180deg=-0.347) USER MOD Set 4.2: A 86 GLN : amide:sc=-8.06e-05 K(o=-0.33,f=-5.2) USER MOD Single : A 1 MET CE :methyl 165:sc=-0.00693 (180deg=-0.283) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0818 USER MOD Single : A 11 GLN : amide:sc= -0.578 X(o=-0.58,f=-0.2) USER MOD Single : A 12 GLN : amide:sc= -0.0143 K(o=-0.014,f=-0.62) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.0389 K(o=-0.039,f=-2.3!) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -170:sc=-0.000696 (180deg=-0.176) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 147:sc= 0.594 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0562 USER MOD Single : A 49 CYS SG : rot -140:sc= -0.517 USER MOD Single : A 51 HIS : no HE2:sc= -0.411 K(o=-0.41,f=-2.7) USER MOD Single : A 54 THR OG1 : rot -42:sc= 0.267 USER MOD Single : A 57 LYS NZ :NH3+ -142:sc= 1.07 (180deg=-0.0328) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 TYR OH : rot 150:sc= 0.825 USER MOD Single : A 68 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.25) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 CYS SG : rot 62:sc= -0.658 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.0252 K(o=-0.025,f=-1) USER MOD Single : A 84 THR OG1 : rot 150:sc=-0.00807 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 148:sc=-0.00708 (180deg=-2.35!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 98 GLN : amide:sc= -0.162 K(o=-0.16,f=-0.93) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0.0561 USER MOD Single : A 108 TYR OH : rot 180:sc= -0.0202 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 SER OG : rot 180:sc= -0.111 USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 131 SER OG : rot -179:sc= 0.499 USER MOD Single : A 132 SER OG : rot -160:sc= 0 USER MOD Single : A 136 CYS SG : rot 180:sc= -0.219 USER MOD Single : A 141 THR OG1 : rot 170:sc= 0 USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 146 LYS NZ :NH3+ -159:sc= 0.348 (180deg=-0.541) USER MOD Single : A 148 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 149 THR OG1 : rot -130:sc= -0.0573 USER MOD Single : A 150 THR OG1 : rot 172:sc= -0.119 USER MOD Single : A 155 THR OG1 : rot -120:sc= -0.27 USER MOD Single : A 156 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.538 18.241 5.368 1.00 0.00 N ATOM 2 CA MET A 1 -15.962 18.326 5.753 1.00 0.00 C ATOM 3 C MET A 1 -16.658 17.034 5.334 1.00 0.00 C ATOM 4 O MET A 1 -17.046 16.837 4.181 1.00 0.00 O ATOM 5 CB MET A 1 -16.620 19.610 5.261 1.00 0.00 C ATOM 6 CG MET A 1 -17.003 20.546 6.413 1.00 0.00 C ATOM 7 SD MET A 1 -18.717 20.392 6.995 1.00 0.00 S ATOM 8 CE MET A 1 -18.722 18.781 7.830 1.00 0.00 C ATOM 0 H1 MET A 1 -14.050 19.116 5.648 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.097 17.430 5.847 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.464 18.117 4.338 1.00 0.00 H new ATOM 0 HA MET A 1 -16.058 18.404 6.836 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.940 20.128 4.585 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.512 19.361 4.686 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.333 20.357 7.252 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.835 21.575 6.096 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.616 18.694 8.447 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.716 17.985 7.085 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.837 18.695 8.460 1.00 0.00 H new ATOM 18 N GLU A 2 -16.754 16.121 6.289 1.00 0.00 N ATOM 19 CA GLU A 2 -17.317 14.787 6.219 1.00 0.00 C ATOM 20 C GLU A 2 -18.850 14.764 6.196 1.00 0.00 C ATOM 21 O GLU A 2 -19.508 15.796 6.067 1.00 0.00 O ATOM 22 CB GLU A 2 -16.776 13.996 7.423 1.00 0.00 C ATOM 23 CG GLU A 2 -15.244 13.978 7.523 1.00 0.00 C ATOM 24 CD GLU A 2 -14.573 15.246 8.084 1.00 0.00 C ATOM 25 OE1 GLU A 2 -15.247 16.184 8.558 1.00 0.00 O ATOM 26 OE2 GLU A 2 -13.342 15.363 7.920 1.00 0.00 O ATOM 0 H GLU A 2 -16.403 16.320 7.226 1.00 0.00 H new ATOM 0 HA GLU A 2 -17.016 14.334 5.274 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -17.184 14.424 8.339 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -17.138 12.970 7.362 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -14.954 13.134 8.149 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -14.840 13.791 6.528 1.00 0.00 H new ATOM 33 N LYS A 3 -19.406 13.552 6.296 1.00 0.00 N ATOM 34 CA LYS A 3 -20.832 13.255 6.313 1.00 0.00 C ATOM 35 C LYS A 3 -21.254 12.514 7.585 1.00 0.00 C ATOM 36 O LYS A 3 -22.407 12.635 7.994 1.00 0.00 O ATOM 37 CB LYS A 3 -21.152 12.447 5.044 1.00 0.00 C ATOM 38 CG LYS A 3 -22.592 11.914 4.977 1.00 0.00 C ATOM 39 CD LYS A 3 -22.903 11.435 3.556 1.00 0.00 C ATOM 40 CE LYS A 3 -23.560 12.555 2.735 1.00 0.00 C ATOM 41 NZ LYS A 3 -22.983 12.682 1.388 1.00 0.00 N ATOM 0 H LYS A 3 -18.837 12.709 6.371 1.00 0.00 H new ATOM 0 HA LYS A 3 -21.403 14.183 6.320 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -20.969 13.075 4.172 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -20.463 11.605 4.980 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -22.719 11.093 5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -23.293 12.696 5.268 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -21.984 11.111 3.067 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -23.565 10.570 3.596 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -24.629 12.360 2.651 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -23.449 13.501 3.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -23.461 13.451 0.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -21.968 12.895 1.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -23.111 11.789 0.870 1.00 0.00 H new ATOM 55 N ALA A 4 -20.373 11.689 8.167 1.00 0.00 N ATOM 56 CA ALA A 4 -20.674 10.926 9.381 1.00 0.00 C ATOM 57 C ALA A 4 -19.425 10.484 10.131 1.00 0.00 C ATOM 58 O ALA A 4 -19.356 10.479 11.363 1.00 0.00 O ATOM 59 CB ALA A 4 -21.556 9.710 9.045 1.00 0.00 C ATOM 0 H ALA A 4 -19.431 11.533 7.807 1.00 0.00 H new ATOM 0 HA ALA A 4 -21.217 11.597 10.046 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -21.771 9.153 9.957 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -22.490 10.050 8.599 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -21.032 9.064 8.341 1.00 0.00 H new ATOM 65 N LEU A 5 -18.441 10.049 9.369 1.00 0.00 N ATOM 66 CA LEU A 5 -17.153 9.583 9.834 1.00 0.00 C ATOM 67 C LEU A 5 -16.212 10.787 9.992 1.00 0.00 C ATOM 68 O LEU A 5 -16.644 11.936 9.883 1.00 0.00 O ATOM 69 CB LEU A 5 -16.661 8.496 8.866 1.00 0.00 C ATOM 70 CG LEU A 5 -16.743 8.910 7.387 1.00 0.00 C ATOM 71 CD1 LEU A 5 -15.568 8.300 6.643 1.00 0.00 C ATOM 72 CD2 LEU A 5 -18.033 8.435 6.699 1.00 0.00 C ATOM 0 H LEU A 5 -18.525 10.010 8.353 1.00 0.00 H new ATOM 0 HA LEU A 5 -17.202 9.120 10.820 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -15.628 8.245 9.108 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -17.252 7.593 9.016 1.00 0.00 H new ATOM 0 HG LEU A 5 -16.730 10.000 7.360 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -15.614 8.586 5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -14.636 8.661 7.077 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -15.609 7.214 6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -18.031 8.758 5.658 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -18.088 7.347 6.741 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -18.896 8.862 7.210 1.00 0.00 H new ATOM 84 N LYS A 6 -14.928 10.533 10.257 1.00 0.00 N ATOM 85 CA LYS A 6 -13.891 11.555 10.448 1.00 0.00 C ATOM 86 C LYS A 6 -12.617 11.289 9.634 1.00 0.00 C ATOM 87 O LYS A 6 -11.622 11.969 9.838 1.00 0.00 O ATOM 88 CB LYS A 6 -13.619 11.719 11.953 1.00 0.00 C ATOM 89 CG LYS A 6 -13.179 10.424 12.671 1.00 0.00 C ATOM 90 CD LYS A 6 -13.167 10.562 14.200 1.00 0.00 C ATOM 91 CE LYS A 6 -14.598 10.769 14.737 1.00 0.00 C ATOM 92 NZ LYS A 6 -14.915 9.861 15.862 1.00 0.00 N ATOM 0 H LYS A 6 -14.569 9.583 10.348 1.00 0.00 H new ATOM 0 HA LYS A 6 -14.264 12.500 10.054 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -12.846 12.475 12.089 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.522 12.096 12.433 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.851 9.613 12.390 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.182 10.146 12.329 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.730 9.669 14.648 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.539 11.404 14.490 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.715 11.802 15.064 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -15.313 10.607 13.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.887 10.038 16.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.830 8.874 15.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.251 10.032 16.644 1.00 0.00 H new ATOM 106 N ILE A 7 -12.652 10.312 8.731 1.00 0.00 N ATOM 107 CA ILE A 7 -11.565 9.865 7.860 1.00 0.00 C ATOM 108 C ILE A 7 -12.123 9.664 6.438 1.00 0.00 C ATOM 109 O ILE A 7 -11.864 8.662 5.775 1.00 0.00 O ATOM 110 CB ILE A 7 -10.978 8.549 8.440 1.00 0.00 C ATOM 111 CG1 ILE A 7 -12.067 7.503 8.821 1.00 0.00 C ATOM 112 CG2 ILE A 7 -10.112 8.833 9.676 1.00 0.00 C ATOM 113 CD1 ILE A 7 -11.745 6.089 8.338 1.00 0.00 C ATOM 0 H ILE A 7 -13.503 9.772 8.577 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.765 10.604 7.810 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.371 8.123 7.641 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -12.185 7.491 9.904 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -13.023 7.814 8.399 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.713 7.896 10.064 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.289 9.492 9.400 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.719 9.313 10.443 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -12.545 5.411 8.637 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.655 6.087 7.252 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.805 5.759 8.780 1.00 0.00 H new ATOM 125 N ASP A 8 -13.023 10.548 6.009 1.00 0.00 N ATOM 126 CA ASP A 8 -13.648 10.464 4.688 1.00 0.00 C ATOM 127 C ASP A 8 -12.710 10.902 3.574 1.00 0.00 C ATOM 128 O ASP A 8 -12.677 10.278 2.512 1.00 0.00 O ATOM 129 CB ASP A 8 -14.895 11.332 4.674 1.00 0.00 C ATOM 130 CG ASP A 8 -15.693 11.164 3.391 1.00 0.00 C ATOM 131 OD1 ASP A 8 -16.780 10.537 3.441 1.00 0.00 O ATOM 132 OD2 ASP A 8 -15.375 11.843 2.397 1.00 0.00 O ATOM 0 H ASP A 8 -13.340 11.342 6.566 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.902 9.420 4.505 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.523 11.077 5.527 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.610 12.378 4.789 1.00 0.00 H new ATOM 137 N THR A 9 -11.984 11.996 3.801 1.00 0.00 N ATOM 138 CA THR A 9 -11.030 12.535 2.844 1.00 0.00 C ATOM 139 C THR A 9 -9.834 11.576 2.696 1.00 0.00 C ATOM 140 O THR A 9 -9.573 10.783 3.611 1.00 0.00 O ATOM 141 CB THR A 9 -10.586 13.953 3.281 1.00 0.00 C ATOM 142 OG1 THR A 9 -10.734 14.209 4.675 1.00 0.00 O ATOM 143 CG2 THR A 9 -11.460 14.986 2.578 1.00 0.00 C ATOM 0 H THR A 9 -12.045 12.535 4.665 1.00 0.00 H new ATOM 0 HA THR A 9 -11.502 12.625 1.866 1.00 0.00 H new ATOM 0 HB THR A 9 -9.529 14.017 3.023 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.433 15.120 4.874 1.00 0.00 H new ATOM 0 HG21 THR A 9 -11.154 15.988 2.880 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.349 14.883 1.499 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.503 14.827 2.852 1.00 0.00 H new ATOM 151 N PRO A 10 -9.113 11.610 1.560 1.00 0.00 N ATOM 152 CA PRO A 10 -7.960 10.747 1.340 1.00 0.00 C ATOM 153 C PRO A 10 -6.852 11.221 2.264 1.00 0.00 C ATOM 154 O PRO A 10 -6.625 12.427 2.368 1.00 0.00 O ATOM 155 CB PRO A 10 -7.584 10.944 -0.131 1.00 0.00 C ATOM 156 CG PRO A 10 -8.066 12.351 -0.463 1.00 0.00 C ATOM 157 CD PRO A 10 -9.313 12.494 0.413 1.00 0.00 C ATOM 0 HA PRO A 10 -8.148 9.693 1.545 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.509 10.847 -0.282 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.064 10.200 -0.766 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.315 13.104 -0.224 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.300 12.460 -1.522 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.445 13.527 0.736 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.210 12.216 -0.140 1.00 0.00 H new ATOM 165 N GLN A 11 -6.218 10.300 2.982 1.00 0.00 N ATOM 166 CA GLN A 11 -5.141 10.668 3.880 1.00 0.00 C ATOM 167 C GLN A 11 -3.845 10.437 3.143 1.00 0.00 C ATOM 168 O GLN A 11 -3.701 9.385 2.525 1.00 0.00 O ATOM 169 CB GLN A 11 -5.205 9.918 5.220 1.00 0.00 C ATOM 170 CG GLN A 11 -5.599 8.435 5.200 1.00 0.00 C ATOM 171 CD GLN A 11 -7.098 8.167 5.394 1.00 0.00 C ATOM 172 OE1 GLN A 11 -7.801 7.676 4.521 1.00 0.00 O ATOM 173 NE2 GLN A 11 -7.630 8.409 6.576 1.00 0.00 N ATOM 0 H GLN A 11 -6.432 9.303 2.957 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.228 11.719 4.157 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.226 9.997 5.693 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.913 10.442 5.862 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.287 8.003 4.249 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.047 7.916 5.983 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.061 8.818 7.317 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.610 8.187 6.749 1.00 0.00 H new ATOM 182 N GLN A 12 -2.902 11.380 3.156 1.00 0.00 N ATOM 183 CA GLN A 12 -1.626 11.204 2.480 1.00 0.00 C ATOM 184 C GLN A 12 -0.519 11.529 3.485 1.00 0.00 C ATOM 185 O GLN A 12 -0.680 12.396 4.343 1.00 0.00 O ATOM 186 CB GLN A 12 -1.478 12.019 1.170 1.00 0.00 C ATOM 187 CG GLN A 12 -2.765 12.263 0.347 1.00 0.00 C ATOM 188 CD GLN A 12 -3.488 13.554 0.731 1.00 0.00 C ATOM 189 OE1 GLN A 12 -3.232 14.148 1.776 1.00 0.00 O ATOM 190 NE2 GLN A 12 -4.356 14.067 -0.124 1.00 0.00 N ATOM 0 H GLN A 12 -3.004 12.277 3.631 1.00 0.00 H new ATOM 0 HA GLN A 12 -1.556 10.168 2.147 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.047 12.988 1.421 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.759 11.506 0.531 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.510 12.298 -0.712 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.442 11.420 0.485 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.569 13.575 -0.992 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.813 14.955 0.084 1.00 0.00 H new ATOM 199 N GLY A 13 0.613 10.844 3.404 1.00 0.00 N ATOM 200 CA GLY A 13 1.721 11.057 4.315 1.00 0.00 C ATOM 201 C GLY A 13 2.951 10.317 3.839 1.00 0.00 C ATOM 202 O GLY A 13 3.233 10.321 2.641 1.00 0.00 O ATOM 0 H GLY A 13 0.786 10.124 2.702 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.937 12.123 4.390 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.448 10.716 5.314 1.00 0.00 H new ATOM 206 N SER A 14 3.699 9.698 4.748 1.00 0.00 N ATOM 207 CA SER A 14 4.906 8.963 4.428 1.00 0.00 C ATOM 208 C SER A 14 5.090 7.722 5.296 1.00 0.00 C ATOM 209 O SER A 14 4.182 7.330 6.023 1.00 0.00 O ATOM 210 CB SER A 14 6.069 9.943 4.542 1.00 0.00 C ATOM 211 OG SER A 14 6.281 10.389 5.867 1.00 0.00 O ATOM 0 H SER A 14 3.474 9.697 5.743 1.00 0.00 H new ATOM 0 HA SER A 14 4.847 8.568 3.414 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.978 9.466 4.174 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.878 10.803 3.900 1.00 0.00 H new ATOM 0 HG SER A 14 7.037 11.012 5.885 1.00 0.00 H new ATOM 217 N ILE A 15 6.247 7.065 5.179 1.00 0.00 N ATOM 218 CA ILE A 15 6.640 5.851 5.910 1.00 0.00 C ATOM 219 C ILE A 15 8.130 5.955 6.312 1.00 0.00 C ATOM 220 O ILE A 15 8.628 5.177 7.120 1.00 0.00 O ATOM 221 CB ILE A 15 6.333 4.596 5.049 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.896 4.615 4.475 1.00 0.00 C ATOM 223 CG2 ILE A 15 6.500 3.291 5.843 1.00 0.00 C ATOM 224 CD1 ILE A 15 4.631 3.534 3.431 1.00 0.00 C ATOM 0 H ILE A 15 6.976 7.380 4.538 1.00 0.00 H new ATOM 0 HA ILE A 15 6.062 5.753 6.829 1.00 0.00 H new ATOM 0 HB ILE A 15 7.057 4.629 4.235 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.187 4.496 5.294 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.707 5.591 4.029 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.274 2.441 5.198 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.526 3.212 6.201 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.818 3.293 6.693 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.603 3.614 3.078 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.314 3.663 2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.786 2.552 3.877 1.00 0.00 H new ATOM 236 N GLN A 16 8.878 6.939 5.795 1.00 0.00 N ATOM 237 CA GLN A 16 10.290 7.116 6.128 1.00 0.00 C ATOM 238 C GLN A 16 10.532 7.370 7.614 1.00 0.00 C ATOM 239 O GLN A 16 11.620 7.096 8.099 1.00 0.00 O ATOM 240 CB GLN A 16 10.887 8.257 5.308 1.00 0.00 C ATOM 241 CG GLN A 16 10.194 9.617 5.498 1.00 0.00 C ATOM 242 CD GLN A 16 11.182 10.774 5.668 1.00 0.00 C ATOM 243 OE1 GLN A 16 11.481 11.505 4.731 1.00 0.00 O ATOM 244 NE2 GLN A 16 11.717 10.966 6.864 1.00 0.00 N ATOM 0 H GLN A 16 8.519 7.630 5.137 1.00 0.00 H new ATOM 0 HA GLN A 16 10.784 6.176 5.881 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.940 8.362 5.569 1.00 0.00 H new ATOM 0 HB3 GLN A 16 10.846 7.988 4.253 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.555 9.816 4.638 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.546 9.569 6.373 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.464 10.354 7.640 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.382 11.726 7.009 1.00 0.00 H new ATOM 253 N ASP A 17 9.532 7.879 8.324 1.00 0.00 N ATOM 254 CA ASP A 17 9.540 8.194 9.750 1.00 0.00 C ATOM 255 C ASP A 17 9.844 6.968 10.627 1.00 0.00 C ATOM 256 O ASP A 17 10.191 7.105 11.798 1.00 0.00 O ATOM 257 CB ASP A 17 8.130 8.705 10.046 1.00 0.00 C ATOM 258 CG ASP A 17 7.967 9.334 11.424 1.00 0.00 C ATOM 259 OD1 ASP A 17 7.465 8.650 12.341 1.00 0.00 O ATOM 260 OD2 ASP A 17 8.241 10.555 11.527 1.00 0.00 O ATOM 0 H ASP A 17 8.634 8.097 7.892 1.00 0.00 H new ATOM 0 HA ASP A 17 10.321 8.920 9.977 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.856 9.440 9.289 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.429 7.876 9.953 1.00 0.00 H new ATOM 265 N ILE A 18 9.725 5.763 10.058 1.00 0.00 N ATOM 266 CA ILE A 18 9.955 4.495 10.729 1.00 0.00 C ATOM 267 C ILE A 18 11.433 4.203 10.948 1.00 0.00 C ATOM 268 O ILE A 18 11.880 4.111 12.089 1.00 0.00 O ATOM 269 CB ILE A 18 9.280 3.336 9.947 1.00 0.00 C ATOM 270 CG1 ILE A 18 7.763 3.604 9.854 1.00 0.00 C ATOM 271 CG2 ILE A 18 9.523 1.960 10.601 1.00 0.00 C ATOM 272 CD1 ILE A 18 6.943 2.460 9.255 1.00 0.00 C ATOM 0 H ILE A 18 9.455 5.649 9.081 1.00 0.00 H new ATOM 0 HA ILE A 18 9.501 4.574 11.717 1.00 0.00 H new ATOM 0 HB ILE A 18 9.727 3.304 8.954 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.385 3.818 10.853 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.603 4.500 9.254 1.00 0.00 H new ATOM 0 HG21 ILE A 18 9.029 1.186 10.014 1.00 0.00 H new ATOM 0 HG22 ILE A 18 10.594 1.759 10.639 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.118 1.962 11.613 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.890 2.741 9.231 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.288 2.257 8.241 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.066 1.566 9.866 1.00 0.00 H new ATOM 284 N ASN A 19 12.179 3.981 9.866 1.00 0.00 N ATOM 285 CA ASN A 19 13.601 3.635 9.947 1.00 0.00 C ATOM 286 C ASN A 19 14.399 4.409 8.907 1.00 0.00 C ATOM 287 O ASN A 19 15.352 3.909 8.306 1.00 0.00 O ATOM 288 CB ASN A 19 13.752 2.103 9.837 1.00 0.00 C ATOM 289 CG ASN A 19 14.995 1.602 10.563 1.00 0.00 C ATOM 290 OD1 ASN A 19 16.118 1.729 10.096 1.00 0.00 O ATOM 291 ND2 ASN A 19 14.816 0.969 11.705 1.00 0.00 N ATOM 0 H ASN A 19 11.819 4.035 8.913 1.00 0.00 H new ATOM 0 HA ASN A 19 14.015 3.930 10.911 1.00 0.00 H new ATOM 0 HB2 ASN A 19 12.868 1.620 10.254 1.00 0.00 H new ATOM 0 HB3 ASN A 19 13.805 1.818 8.786 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.617 0.582 12.204 1.00 0.00 H new ATOM 0 HD22 ASN A 19 13.877 0.866 12.089 1.00 0.00 H new ATOM 298 N HIS A 20 13.949 5.626 8.603 1.00 0.00 N ATOM 299 CA HIS A 20 14.597 6.495 7.622 1.00 0.00 C ATOM 300 C HIS A 20 14.656 5.810 6.246 1.00 0.00 C ATOM 301 O HIS A 20 15.645 5.903 5.512 1.00 0.00 O ATOM 302 CB HIS A 20 15.962 6.951 8.162 1.00 0.00 C ATOM 303 CG HIS A 20 16.467 8.234 7.550 1.00 0.00 C ATOM 304 ND1 HIS A 20 17.385 8.361 6.522 1.00 0.00 N ATOM 305 CD2 HIS A 20 16.082 9.492 7.934 1.00 0.00 C ATOM 306 CE1 HIS A 20 17.552 9.676 6.299 1.00 0.00 C ATOM 307 NE2 HIS A 20 16.770 10.396 7.123 1.00 0.00 N ATOM 0 H HIS A 20 13.121 6.038 9.032 1.00 0.00 H new ATOM 0 HA HIS A 20 14.009 7.399 7.466 1.00 0.00 H new ATOM 0 HB2 HIS A 20 15.889 7.080 9.242 1.00 0.00 H new ATOM 0 HB3 HIS A 20 16.693 6.163 7.983 1.00 0.00 H new ATOM 0 HD2 HIS A 20 15.379 9.738 8.716 1.00 0.00 H new ATOM 0 HE1 HIS A 20 18.220 10.096 5.562 1.00 0.00 H new ATOM 0 HE2 HIS A 20 16.694 11.413 7.150 1.00 0.00 H new ATOM 315 N ARG A 21 13.605 5.066 5.888 1.00 0.00 N ATOM 316 CA ARG A 21 13.535 4.368 4.599 1.00 0.00 C ATOM 317 C ARG A 21 12.560 5.108 3.677 1.00 0.00 C ATOM 318 O ARG A 21 11.352 4.880 3.764 1.00 0.00 O ATOM 319 CB ARG A 21 13.177 2.872 4.731 1.00 0.00 C ATOM 320 CG ARG A 21 13.825 2.026 5.837 1.00 0.00 C ATOM 321 CD ARG A 21 15.101 1.331 5.352 1.00 0.00 C ATOM 322 NE ARG A 21 15.769 0.550 6.415 1.00 0.00 N ATOM 323 CZ ARG A 21 16.766 0.904 7.244 1.00 0.00 C ATOM 324 NH1 ARG A 21 17.184 2.159 7.354 1.00 0.00 N ATOM 325 NH2 ARG A 21 17.339 -0.031 7.994 1.00 0.00 N ATOM 0 H ARG A 21 12.784 4.931 6.478 1.00 0.00 H new ATOM 0 HA ARG A 21 14.532 4.381 4.159 1.00 0.00 H new ATOM 0 HB2 ARG A 21 12.097 2.807 4.863 1.00 0.00 H new ATOM 0 HB3 ARG A 21 13.411 2.396 3.779 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.060 2.663 6.690 1.00 0.00 H new ATOM 0 HG3 ARG A 21 13.114 1.277 6.185 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.855 0.669 4.522 1.00 0.00 H new ATOM 0 HD3 ARG A 21 15.794 2.080 4.968 1.00 0.00 H new ATOM 0 HE ARG A 21 15.421 -0.401 6.538 1.00 0.00 H new ATOM 0 HH11 ARG A 21 16.745 2.893 6.798 1.00 0.00 H new ATOM 0 HH12 ARG A 21 17.944 2.389 7.994 1.00 0.00 H new ATOM 0 HH21 ARG A 21 17.021 -0.998 7.935 1.00 0.00 H new ATOM 0 HH22 ARG A 21 18.097 0.218 8.629 1.00 0.00 H new ATOM 339 N VAL A 22 13.042 6.076 2.898 1.00 0.00 N ATOM 340 CA VAL A 22 12.210 6.815 1.951 1.00 0.00 C ATOM 341 C VAL A 22 12.069 5.888 0.754 1.00 0.00 C ATOM 342 O VAL A 22 12.890 4.990 0.594 1.00 0.00 O ATOM 343 CB VAL A 22 12.849 8.172 1.585 1.00 0.00 C ATOM 344 CG1 VAL A 22 12.088 8.887 0.467 1.00 0.00 C ATOM 345 CG2 VAL A 22 12.856 9.123 2.778 1.00 0.00 C ATOM 0 H VAL A 22 14.019 6.369 2.906 1.00 0.00 H new ATOM 0 HA VAL A 22 11.235 7.074 2.363 1.00 0.00 H new ATOM 0 HB VAL A 22 13.863 7.935 1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.575 9.836 0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.084 8.263 -0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.062 9.071 0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.312 10.069 2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.832 9.300 3.108 1.00 0.00 H new ATOM 0 HG23 VAL A 22 13.428 8.680 3.593 1.00 0.00 H new ATOM 355 N TRP A 23 11.039 6.044 -0.067 1.00 0.00 N ATOM 356 CA TRP A 23 10.810 5.227 -1.249 1.00 0.00 C ATOM 357 C TRP A 23 11.012 6.091 -2.485 1.00 0.00 C ATOM 358 O TRP A 23 10.802 7.298 -2.442 1.00 0.00 O ATOM 359 CB TRP A 23 9.362 4.733 -1.216 1.00 0.00 C ATOM 360 CG TRP A 23 8.975 3.766 -0.141 1.00 0.00 C ATOM 361 CD1 TRP A 23 9.791 3.194 0.775 1.00 0.00 C ATOM 362 CD2 TRP A 23 7.654 3.194 0.091 1.00 0.00 C ATOM 363 NE1 TRP A 23 9.076 2.281 1.510 1.00 0.00 N ATOM 364 CE2 TRP A 23 7.760 2.222 1.126 1.00 0.00 C ATOM 365 CE3 TRP A 23 6.389 3.352 -0.513 1.00 0.00 C ATOM 366 CZ2 TRP A 23 6.675 1.438 1.530 1.00 0.00 C ATOM 367 CZ3 TRP A 23 5.288 2.578 -0.113 1.00 0.00 C ATOM 368 CH2 TRP A 23 5.436 1.627 0.905 1.00 0.00 C ATOM 0 H TRP A 23 10.324 6.758 0.074 1.00 0.00 H new ATOM 0 HA TRP A 23 11.498 4.382 -1.272 1.00 0.00 H new ATOM 0 HB2 TRP A 23 8.713 5.605 -1.131 1.00 0.00 H new ATOM 0 HB3 TRP A 23 9.146 4.268 -2.178 1.00 0.00 H new ATOM 0 HD1 TRP A 23 10.839 3.420 0.907 1.00 0.00 H new ATOM 0 HE1 TRP A 23 9.477 1.712 2.256 1.00 0.00 H new ATOM 0 HE3 TRP A 23 6.265 4.083 -1.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 6.790 0.700 2.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 4.329 2.716 -0.589 1.00 0.00 H new ATOM 0 HH2 TRP A 23 4.587 1.034 1.211 1.00 0.00 H new ATOM 379 N VAL A 24 11.374 5.489 -3.610 1.00 0.00 N ATOM 380 CA VAL A 24 11.559 6.242 -4.854 1.00 0.00 C ATOM 381 C VAL A 24 11.141 5.330 -5.999 1.00 0.00 C ATOM 382 O VAL A 24 11.478 4.144 -5.983 1.00 0.00 O ATOM 383 CB VAL A 24 13.038 6.659 -5.037 1.00 0.00 C ATOM 384 CG1 VAL A 24 13.221 7.659 -6.190 1.00 0.00 C ATOM 385 CG2 VAL A 24 13.630 7.346 -3.802 1.00 0.00 C ATOM 0 H VAL A 24 11.546 4.487 -3.692 1.00 0.00 H new ATOM 0 HA VAL A 24 10.960 7.152 -4.831 1.00 0.00 H new ATOM 0 HB VAL A 24 13.549 5.717 -5.235 1.00 0.00 H new ATOM 0 HG11 VAL A 24 14.275 7.922 -6.280 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.879 7.207 -7.121 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.639 8.558 -5.988 1.00 0.00 H new ATOM 0 HG21 VAL A 24 14.669 7.613 -3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.060 8.248 -3.579 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.583 6.667 -2.951 1.00 0.00 H new ATOM 395 N LEU A 25 10.380 5.850 -6.965 1.00 0.00 N ATOM 396 CA LEU A 25 9.956 5.056 -8.109 1.00 0.00 C ATOM 397 C LEU A 25 11.200 4.966 -9.002 1.00 0.00 C ATOM 398 O LEU A 25 11.581 5.982 -9.587 1.00 0.00 O ATOM 399 CB LEU A 25 8.815 5.735 -8.869 1.00 0.00 C ATOM 400 CG LEU A 25 8.203 4.789 -9.925 1.00 0.00 C ATOM 401 CD1 LEU A 25 7.130 3.925 -9.273 1.00 0.00 C ATOM 402 CD2 LEU A 25 7.677 5.581 -11.121 1.00 0.00 C ATOM 0 H LEU A 25 10.048 6.815 -6.974 1.00 0.00 H new ATOM 0 HA LEU A 25 9.582 4.079 -7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.043 6.047 -8.166 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.186 6.637 -9.357 1.00 0.00 H new ATOM 0 HG LEU A 25 8.973 4.123 -10.313 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.698 3.257 -10.018 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.575 3.335 -8.472 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.348 4.564 -8.862 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.250 4.895 -11.853 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.909 6.278 -10.786 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.496 6.136 -11.579 1.00 0.00 H new ATOM 414 N GLN A 26 11.873 3.825 -9.084 1.00 0.00 N ATOM 415 CA GLN A 26 13.079 3.653 -9.885 1.00 0.00 C ATOM 416 C GLN A 26 13.004 2.397 -10.730 1.00 0.00 C ATOM 417 O GLN A 26 12.671 1.329 -10.225 1.00 0.00 O ATOM 418 CB GLN A 26 14.306 3.590 -8.963 1.00 0.00 C ATOM 419 CG GLN A 26 14.885 4.982 -8.745 1.00 0.00 C ATOM 420 CD GLN A 26 16.045 4.943 -7.756 1.00 0.00 C ATOM 421 OE1 GLN A 26 15.955 5.656 -6.650 1.00 0.00 O flip ATOM 422 NE2 GLN A 26 17.045 4.250 -7.952 1.00 0.00 N flip ATOM 0 H GLN A 26 11.592 2.979 -8.588 1.00 0.00 H new ATOM 0 HA GLN A 26 13.167 4.506 -10.557 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.025 3.153 -8.005 1.00 0.00 H new ATOM 0 HB3 GLN A 26 15.063 2.940 -9.401 1.00 0.00 H new ATOM 0 HG2 GLN A 26 15.227 5.390 -9.696 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.107 5.649 -8.373 1.00 0.00 H new ATOM 0 HE21 GLN A 26 17.122 3.696 -8.805 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.795 4.231 -7.261 1.00 0.00 H new ATOM 431 N ASP A 27 13.359 2.523 -12.010 1.00 0.00 N ATOM 432 CA ASP A 27 13.368 1.426 -12.987 1.00 0.00 C ATOM 433 C ASP A 27 12.057 0.622 -12.936 1.00 0.00 C ATOM 434 O ASP A 27 12.011 -0.613 -12.931 1.00 0.00 O ATOM 435 CB ASP A 27 14.643 0.599 -12.761 1.00 0.00 C ATOM 436 CG ASP A 27 15.183 -0.166 -13.958 1.00 0.00 C ATOM 437 OD1 ASP A 27 14.592 -0.083 -15.051 1.00 0.00 O ATOM 438 OD2 ASP A 27 16.297 -0.723 -13.806 1.00 0.00 O ATOM 0 H ASP A 27 13.657 3.413 -12.409 1.00 0.00 H new ATOM 0 HA ASP A 27 13.402 1.805 -14.008 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.425 1.270 -12.405 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.448 -0.115 -11.961 1.00 0.00 H new ATOM 443 N GLN A 28 10.959 1.379 -12.836 1.00 0.00 N ATOM 444 CA GLN A 28 9.575 0.922 -12.769 1.00 0.00 C ATOM 445 C GLN A 28 9.239 0.043 -11.563 1.00 0.00 C ATOM 446 O GLN A 28 8.313 -0.761 -11.629 1.00 0.00 O ATOM 447 CB GLN A 28 9.163 0.350 -14.134 1.00 0.00 C ATOM 448 CG GLN A 28 9.036 1.477 -15.160 1.00 0.00 C ATOM 449 CD GLN A 28 9.780 1.215 -16.449 1.00 0.00 C ATOM 450 OE1 GLN A 28 10.724 1.929 -16.762 1.00 0.00 O ATOM 451 NE2 GLN A 28 9.342 0.265 -17.247 1.00 0.00 N ATOM 0 H GLN A 28 11.023 2.396 -12.797 1.00 0.00 H new ATOM 0 HA GLN A 28 8.945 1.789 -12.569 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.902 -0.377 -14.470 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.214 -0.179 -14.044 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.981 1.633 -15.386 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.408 2.402 -14.718 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.554 -0.316 -16.963 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.791 0.110 -18.150 1.00 0.00 H new ATOM 460 N THR A 29 9.963 0.202 -10.463 1.00 0.00 N ATOM 461 CA THR A 29 9.772 -0.529 -9.221 1.00 0.00 C ATOM 462 C THR A 29 9.941 0.500 -8.096 1.00 0.00 C ATOM 463 O THR A 29 10.524 1.559 -8.313 1.00 0.00 O ATOM 464 CB THR A 29 10.803 -1.678 -9.182 1.00 0.00 C ATOM 465 OG1 THR A 29 10.568 -2.568 -10.263 1.00 0.00 O ATOM 466 CG2 THR A 29 10.789 -2.506 -7.890 1.00 0.00 C ATOM 0 H THR A 29 10.731 0.872 -10.411 1.00 0.00 H new ATOM 0 HA THR A 29 8.791 -0.993 -9.118 1.00 0.00 H new ATOM 0 HB THR A 29 11.776 -1.190 -9.246 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.225 -3.295 -10.237 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.545 -3.289 -7.952 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.006 -1.858 -7.040 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.806 -2.959 -7.759 1.00 0.00 H new ATOM 474 N LEU A 30 9.353 0.289 -6.918 1.00 0.00 N ATOM 475 CA LEU A 30 9.530 1.227 -5.811 1.00 0.00 C ATOM 476 C LEU A 30 10.706 0.673 -5.030 1.00 0.00 C ATOM 477 O LEU A 30 10.692 -0.502 -4.649 1.00 0.00 O ATOM 478 CB LEU A 30 8.294 1.348 -4.918 1.00 0.00 C ATOM 479 CG LEU A 30 7.383 2.520 -5.338 1.00 0.00 C ATOM 480 CD1 LEU A 30 6.129 2.471 -4.467 1.00 0.00 C ATOM 481 CD2 LEU A 30 8.078 3.884 -5.126 1.00 0.00 C ATOM 0 H LEU A 30 8.758 -0.512 -6.708 1.00 0.00 H new ATOM 0 HA LEU A 30 9.697 2.238 -6.183 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.727 0.418 -4.957 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.608 1.487 -3.883 1.00 0.00 H new ATOM 0 HG LEU A 30 7.146 2.422 -6.397 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.463 3.290 -4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.617 1.521 -4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.410 2.568 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.407 4.686 -5.433 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.330 4.004 -4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.989 3.925 -5.723 1.00 0.00 H new ATOM 493 N ILE A 31 11.714 1.505 -4.799 1.00 0.00 N ATOM 494 CA ILE A 31 12.920 1.115 -4.081 1.00 0.00 C ATOM 495 C ILE A 31 13.197 2.074 -2.932 1.00 0.00 C ATOM 496 O ILE A 31 13.179 3.296 -3.101 1.00 0.00 O ATOM 497 CB ILE A 31 14.134 0.985 -5.028 1.00 0.00 C ATOM 498 CG1 ILE A 31 13.746 0.475 -6.438 1.00 0.00 C ATOM 499 CG2 ILE A 31 15.207 0.099 -4.356 1.00 0.00 C ATOM 500 CD1 ILE A 31 14.920 0.211 -7.382 1.00 0.00 C ATOM 0 H ILE A 31 11.717 2.477 -5.107 1.00 0.00 H new ATOM 0 HA ILE A 31 12.750 0.126 -3.655 1.00 0.00 H new ATOM 0 HB ILE A 31 14.549 1.979 -5.195 1.00 0.00 H new ATOM 0 HG12 ILE A 31 13.174 -0.447 -6.329 1.00 0.00 H new ATOM 0 HG13 ILE A 31 13.085 1.207 -6.902 1.00 0.00 H new ATOM 0 HG21 ILE A 31 16.067 0.003 -5.019 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.521 0.557 -3.418 1.00 0.00 H new ATOM 0 HG23 ILE A 31 14.791 -0.888 -4.156 1.00 0.00 H new ATOM 0 HD11 ILE A 31 14.543 -0.142 -8.342 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.482 1.133 -7.530 1.00 0.00 H new ATOM 0 HD13 ILE A 31 15.573 -0.546 -6.948 1.00 0.00 H new ATOM 512 N ALA A 32 13.471 1.493 -1.763 1.00 0.00 N ATOM 513 CA ALA A 32 13.776 2.227 -0.555 1.00 0.00 C ATOM 514 C ALA A 32 15.175 2.836 -0.683 1.00 0.00 C ATOM 515 O ALA A 32 16.114 2.150 -1.097 1.00 0.00 O ATOM 516 CB ALA A 32 13.695 1.273 0.638 1.00 0.00 C ATOM 0 H ALA A 32 13.485 0.481 -1.637 1.00 0.00 H new ATOM 0 HA ALA A 32 13.060 3.035 -0.402 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.923 1.817 1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.690 0.857 0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.414 0.465 0.507 1.00 0.00 H new ATOM 522 N VAL A 33 15.338 4.096 -0.282 1.00 0.00 N ATOM 523 CA VAL A 33 16.604 4.822 -0.311 1.00 0.00 C ATOM 524 C VAL A 33 17.037 5.088 1.143 1.00 0.00 C ATOM 525 O VAL A 33 16.793 6.164 1.690 1.00 0.00 O ATOM 526 CB VAL A 33 16.523 6.060 -1.227 1.00 0.00 C ATOM 527 CG1 VAL A 33 16.393 5.592 -2.686 1.00 0.00 C ATOM 528 CG2 VAL A 33 15.379 7.032 -0.916 1.00 0.00 C ATOM 0 H VAL A 33 14.568 4.656 0.083 1.00 0.00 H new ATOM 0 HA VAL A 33 17.396 4.229 -0.769 1.00 0.00 H new ATOM 0 HB VAL A 33 17.442 6.618 -1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 33 16.335 6.460 -3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.262 4.992 -2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.490 4.992 -2.797 1.00 0.00 H new ATOM 0 HG21 VAL A 33 15.411 7.867 -1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.425 6.514 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.487 7.407 0.102 1.00 0.00 H new ATOM 538 N PRO A 34 17.655 4.101 1.818 1.00 0.00 N ATOM 539 CA PRO A 34 18.099 4.253 3.200 1.00 0.00 C ATOM 540 C PRO A 34 19.256 5.251 3.321 1.00 0.00 C ATOM 541 O PRO A 34 19.338 5.949 4.330 1.00 0.00 O ATOM 542 CB PRO A 34 18.558 2.854 3.637 1.00 0.00 C ATOM 543 CG PRO A 34 19.022 2.230 2.316 1.00 0.00 C ATOM 544 CD PRO A 34 18.006 2.779 1.322 1.00 0.00 C ATOM 0 HA PRO A 34 17.296 4.643 3.825 1.00 0.00 H new ATOM 0 HB2 PRO A 34 19.364 2.902 4.369 1.00 0.00 H new ATOM 0 HB3 PRO A 34 17.748 2.285 4.092 1.00 0.00 H new ATOM 0 HG2 PRO A 34 20.040 2.526 2.062 1.00 0.00 H new ATOM 0 HG3 PRO A 34 19.007 1.141 2.353 1.00 0.00 H new ATOM 0 HD2 PRO A 34 18.429 2.835 0.319 1.00 0.00 H new ATOM 0 HD3 PRO A 34 17.128 2.136 1.262 1.00 0.00 H new ATOM 552 N ARG A 35 20.140 5.332 2.314 1.00 0.00 N ATOM 553 CA ARG A 35 21.302 6.229 2.306 1.00 0.00 C ATOM 554 C ARG A 35 21.738 6.667 0.902 1.00 0.00 C ATOM 555 O ARG A 35 22.845 7.169 0.717 1.00 0.00 O ATOM 556 CB ARG A 35 22.462 5.549 3.060 1.00 0.00 C ATOM 557 CG ARG A 35 22.809 4.125 2.612 1.00 0.00 C ATOM 558 CD ARG A 35 24.060 3.645 3.351 1.00 0.00 C ATOM 559 NE ARG A 35 25.292 4.066 2.657 1.00 0.00 N ATOM 560 CZ ARG A 35 25.995 3.331 1.788 1.00 0.00 C ATOM 561 NH1 ARG A 35 25.509 2.176 1.329 1.00 0.00 N ATOM 562 NH2 ARG A 35 27.182 3.766 1.392 1.00 0.00 N ATOM 0 H ARG A 35 20.064 4.766 1.469 1.00 0.00 H new ATOM 0 HA ARG A 35 21.008 7.149 2.811 1.00 0.00 H new ATOM 0 HB2 ARG A 35 23.352 6.169 2.954 1.00 0.00 H new ATOM 0 HB3 ARG A 35 22.215 5.525 4.121 1.00 0.00 H new ATOM 0 HG2 ARG A 35 21.974 3.455 2.817 1.00 0.00 H new ATOM 0 HG3 ARG A 35 22.979 4.103 1.536 1.00 0.00 H new ATOM 0 HD2 ARG A 35 24.059 4.042 4.366 1.00 0.00 H new ATOM 0 HD3 ARG A 35 24.041 2.558 3.434 1.00 0.00 H new ATOM 0 HE ARG A 35 25.640 5.004 2.858 1.00 0.00 H new ATOM 0 HH11 ARG A 35 24.595 1.848 1.641 1.00 0.00 H new ATOM 0 HH12 ARG A 35 26.052 1.622 0.667 1.00 0.00 H new ATOM 0 HH21 ARG A 35 27.547 4.649 1.749 1.00 0.00 H new ATOM 0 HH22 ARG A 35 27.731 3.218 0.730 1.00 0.00 H new ATOM 576 N LYS A 36 20.918 6.435 -0.124 1.00 0.00 N ATOM 577 CA LYS A 36 21.271 6.802 -1.489 1.00 0.00 C ATOM 578 C LYS A 36 21.439 8.307 -1.624 1.00 0.00 C ATOM 579 O LYS A 36 20.614 9.086 -1.152 1.00 0.00 O ATOM 580 CB LYS A 36 20.233 6.240 -2.477 1.00 0.00 C ATOM 581 CG LYS A 36 20.828 5.094 -3.314 1.00 0.00 C ATOM 582 CD LYS A 36 19.785 4.016 -3.599 1.00 0.00 C ATOM 583 CE LYS A 36 20.438 2.785 -4.228 1.00 0.00 C ATOM 584 NZ LYS A 36 19.466 1.680 -4.368 1.00 0.00 N ATOM 0 H LYS A 36 20.003 5.993 -0.031 1.00 0.00 H new ATOM 0 HA LYS A 36 22.235 6.356 -1.736 1.00 0.00 H new ATOM 0 HB2 LYS A 36 19.362 5.880 -1.929 1.00 0.00 H new ATOM 0 HB3 LYS A 36 19.887 7.035 -3.137 1.00 0.00 H new ATOM 0 HG2 LYS A 36 21.212 5.489 -4.254 1.00 0.00 H new ATOM 0 HG3 LYS A 36 21.673 4.654 -2.784 1.00 0.00 H new ATOM 0 HD2 LYS A 36 19.283 3.735 -2.673 1.00 0.00 H new ATOM 0 HD3 LYS A 36 19.021 4.410 -4.269 1.00 0.00 H new ATOM 0 HE2 LYS A 36 20.842 3.044 -5.207 1.00 0.00 H new ATOM 0 HE3 LYS A 36 21.277 2.460 -3.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 19.935 0.857 -4.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 19.099 1.419 -3.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.679 1.985 -4.975 1.00 0.00 H new ATOM 598 N ASP A 37 22.468 8.683 -2.369 1.00 0.00 N ATOM 599 CA ASP A 37 22.866 10.053 -2.675 1.00 0.00 C ATOM 600 C ASP A 37 21.777 10.711 -3.528 1.00 0.00 C ATOM 601 O ASP A 37 21.513 11.910 -3.442 1.00 0.00 O ATOM 602 CB ASP A 37 24.211 10.058 -3.430 1.00 0.00 C ATOM 603 CG ASP A 37 25.141 8.910 -3.021 1.00 0.00 C ATOM 604 OD1 ASP A 37 26.023 9.088 -2.153 1.00 0.00 O ATOM 605 OD2 ASP A 37 24.881 7.775 -3.496 1.00 0.00 O ATOM 0 H ASP A 37 23.087 7.999 -2.804 1.00 0.00 H new ATOM 0 HA ASP A 37 22.990 10.614 -1.748 1.00 0.00 H new ATOM 0 HB2 ASP A 37 24.019 9.996 -4.501 1.00 0.00 H new ATOM 0 HB3 ASP A 37 24.716 11.007 -3.251 1.00 0.00 H new ATOM 610 N ARG A 38 21.118 9.911 -4.373 1.00 0.00 N ATOM 611 CA ARG A 38 20.049 10.353 -5.249 1.00 0.00 C ATOM 612 C ARG A 38 18.726 9.927 -4.629 1.00 0.00 C ATOM 613 O ARG A 38 18.109 8.957 -5.074 1.00 0.00 O ATOM 614 CB ARG A 38 20.281 9.823 -6.679 1.00 0.00 C ATOM 615 CG ARG A 38 19.274 10.408 -7.695 1.00 0.00 C ATOM 616 CD ARG A 38 19.803 11.662 -8.401 1.00 0.00 C ATOM 617 NE ARG A 38 20.789 11.315 -9.430 1.00 0.00 N ATOM 618 CZ ARG A 38 21.609 12.149 -10.077 1.00 0.00 C ATOM 619 NH1 ARG A 38 21.723 13.430 -9.749 1.00 0.00 N ATOM 620 NH2 ARG A 38 22.301 11.675 -11.100 1.00 0.00 N ATOM 0 H ARG A 38 21.325 8.916 -4.462 1.00 0.00 H new ATOM 0 HA ARG A 38 20.028 11.438 -5.347 1.00 0.00 H new ATOM 0 HB2 ARG A 38 21.295 10.068 -6.994 1.00 0.00 H new ATOM 0 HB3 ARG A 38 20.202 8.736 -6.678 1.00 0.00 H new ATOM 0 HG2 ARG A 38 19.036 9.650 -8.441 1.00 0.00 H new ATOM 0 HG3 ARG A 38 18.345 10.651 -7.180 1.00 0.00 H new ATOM 0 HD2 ARG A 38 18.974 12.203 -8.856 1.00 0.00 H new ATOM 0 HD3 ARG A 38 20.257 12.330 -7.669 1.00 0.00 H new ATOM 0 HE ARG A 38 20.856 10.328 -9.679 1.00 0.00 H new ATOM 0 HH11 ARG A 38 21.173 13.810 -8.978 1.00 0.00 H new ATOM 0 HH12 ARG A 38 22.360 14.034 -10.268 1.00 0.00 H new ATOM 0 HH21 ARG A 38 22.200 10.698 -11.375 1.00 0.00 H new ATOM 0 HH22 ARG A 38 22.935 12.287 -11.614 1.00 0.00 H new ATOM 634 N MET A 39 18.342 10.583 -3.543 1.00 0.00 N ATOM 635 CA MET A 39 17.087 10.332 -2.851 1.00 0.00 C ATOM 636 C MET A 39 16.163 11.511 -3.161 1.00 0.00 C ATOM 637 O MET A 39 16.592 12.551 -3.670 1.00 0.00 O ATOM 638 CB MET A 39 17.310 10.066 -1.358 1.00 0.00 C ATOM 639 CG MET A 39 17.676 11.283 -0.514 1.00 0.00 C ATOM 640 SD MET A 39 18.424 10.905 1.097 1.00 0.00 S ATOM 641 CE MET A 39 17.477 9.473 1.642 1.00 0.00 C ATOM 0 H MET A 39 18.904 11.317 -3.111 1.00 0.00 H new ATOM 0 HA MET A 39 16.607 9.418 -3.202 1.00 0.00 H new ATOM 0 HB2 MET A 39 16.403 9.623 -0.948 1.00 0.00 H new ATOM 0 HB3 MET A 39 18.102 9.324 -1.255 1.00 0.00 H new ATOM 0 HG2 MET A 39 18.368 11.905 -1.082 1.00 0.00 H new ATOM 0 HG3 MET A 39 16.776 11.876 -0.349 1.00 0.00 H new ATOM 0 HE1 MET A 39 17.714 9.255 2.683 1.00 0.00 H new ATOM 0 HE2 MET A 39 16.412 9.684 1.548 1.00 0.00 H new ATOM 0 HE3 MET A 39 17.732 8.612 1.024 1.00 0.00 H new ATOM 651 N SER A 40 14.874 11.330 -2.925 1.00 0.00 N ATOM 652 CA SER A 40 13.863 12.336 -3.163 1.00 0.00 C ATOM 653 C SER A 40 12.702 11.951 -2.265 1.00 0.00 C ATOM 654 O SER A 40 12.442 10.748 -2.139 1.00 0.00 O ATOM 655 CB SER A 40 13.404 12.264 -4.631 1.00 0.00 C ATOM 656 OG SER A 40 13.016 13.524 -5.144 1.00 0.00 O ATOM 0 H SER A 40 14.497 10.458 -2.554 1.00 0.00 H new ATOM 0 HA SER A 40 14.231 13.343 -2.964 1.00 0.00 H new ATOM 0 HB2 SER A 40 14.213 11.861 -5.241 1.00 0.00 H new ATOM 0 HB3 SER A 40 12.567 11.570 -4.712 1.00 0.00 H new ATOM 0 HG SER A 40 12.735 13.425 -6.078 1.00 0.00 H new ATOM 662 N PRO A 41 12.014 12.912 -1.641 1.00 0.00 N ATOM 663 CA PRO A 41 10.886 12.579 -0.806 1.00 0.00 C ATOM 664 C PRO A 41 9.729 12.137 -1.706 1.00 0.00 C ATOM 665 O PRO A 41 9.718 12.348 -2.927 1.00 0.00 O ATOM 666 CB PRO A 41 10.566 13.858 -0.040 1.00 0.00 C ATOM 667 CG PRO A 41 10.969 14.950 -1.028 1.00 0.00 C ATOM 668 CD PRO A 41 12.211 14.352 -1.692 1.00 0.00 C ATOM 0 HA PRO A 41 11.078 11.762 -0.111 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.510 13.919 0.223 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.130 13.925 0.890 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.180 15.154 -1.752 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.191 15.891 -0.525 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.314 14.699 -2.720 1.00 0.00 H new ATOM 0 HD3 PRO A 41 13.119 14.644 -1.165 1.00 0.00 H new ATOM 676 N VAL A 42 8.755 11.490 -1.089 1.00 0.00 N ATOM 677 CA VAL A 42 7.570 10.997 -1.747 1.00 0.00 C ATOM 678 C VAL A 42 6.460 10.877 -0.713 1.00 0.00 C ATOM 679 O VAL A 42 6.698 10.668 0.485 1.00 0.00 O ATOM 680 CB VAL A 42 7.895 9.675 -2.459 1.00 0.00 C ATOM 681 CG1 VAL A 42 8.334 8.608 -1.444 1.00 0.00 C ATOM 682 CG2 VAL A 42 6.741 9.170 -3.337 1.00 0.00 C ATOM 0 H VAL A 42 8.773 11.291 -0.089 1.00 0.00 H new ATOM 0 HA VAL A 42 7.221 11.683 -2.519 1.00 0.00 H new ATOM 0 HB VAL A 42 8.726 9.875 -3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.560 7.679 -1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.223 8.952 -0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.531 8.435 -0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.030 8.233 -3.814 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.858 9.006 -2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.515 9.912 -4.103 1.00 0.00 H new ATOM 692 N THR A 43 5.246 10.966 -1.224 1.00 0.00 N ATOM 693 CA THR A 43 3.995 10.902 -0.502 1.00 0.00 C ATOM 694 C THR A 43 3.305 9.566 -0.754 1.00 0.00 C ATOM 695 O THR A 43 3.422 8.986 -1.842 1.00 0.00 O ATOM 696 CB THR A 43 3.081 12.042 -0.991 1.00 0.00 C ATOM 697 OG1 THR A 43 3.383 12.344 -2.341 1.00 0.00 O ATOM 698 CG2 THR A 43 3.184 13.314 -0.151 1.00 0.00 C ATOM 0 H THR A 43 5.102 11.094 -2.226 1.00 0.00 H new ATOM 0 HA THR A 43 4.191 11.002 0.566 1.00 0.00 H new ATOM 0 HB THR A 43 2.057 11.683 -0.890 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.567 12.628 -2.803 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.513 14.072 -0.555 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.905 13.093 0.879 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.208 13.686 -0.177 1.00 0.00 H new ATOM 706 N ILE A 44 2.526 9.114 0.225 1.00 0.00 N ATOM 707 CA ILE A 44 1.751 7.884 0.192 1.00 0.00 C ATOM 708 C ILE A 44 0.306 8.306 0.407 1.00 0.00 C ATOM 709 O ILE A 44 0.087 9.028 1.362 1.00 0.00 O ATOM 710 CB ILE A 44 2.179 6.956 1.352 1.00 0.00 C ATOM 711 CG1 ILE A 44 3.685 6.683 1.356 1.00 0.00 C ATOM 712 CG2 ILE A 44 1.382 5.639 1.324 1.00 0.00 C ATOM 713 CD1 ILE A 44 4.227 5.962 0.131 1.00 0.00 C ATOM 0 H ILE A 44 2.415 9.622 1.103 1.00 0.00 H new ATOM 0 HA ILE A 44 1.895 7.348 -0.746 1.00 0.00 H new ATOM 0 HB ILE A 44 1.950 7.481 2.279 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.208 7.634 1.456 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.926 6.092 2.239 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.701 5.003 2.150 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.318 5.855 1.423 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.562 5.125 0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.302 5.820 0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.741 4.991 0.035 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.027 6.557 -0.760 1.00 0.00 H new ATOM 725 N ALA A 45 -0.641 8.013 -0.484 1.00 0.00 N ATOM 726 CA ALA A 45 -2.055 8.350 -0.291 1.00 0.00 C ATOM 727 C ALA A 45 -2.722 7.059 0.168 1.00 0.00 C ATOM 728 O ALA A 45 -2.345 5.987 -0.309 1.00 0.00 O ATOM 729 CB ALA A 45 -2.729 8.844 -1.572 1.00 0.00 C ATOM 0 H ALA A 45 -0.450 7.533 -1.364 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.148 9.163 0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.774 9.078 -1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.220 9.739 -1.929 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.674 8.067 -2.335 1.00 0.00 H new ATOM 735 N LEU A 46 -3.728 7.136 1.036 1.00 0.00 N ATOM 736 CA LEU A 46 -4.449 5.980 1.557 1.00 0.00 C ATOM 737 C LEU A 46 -5.923 6.378 1.615 1.00 0.00 C ATOM 738 O LEU A 46 -6.253 7.511 1.964 1.00 0.00 O ATOM 739 CB LEU A 46 -3.847 5.570 2.923 1.00 0.00 C ATOM 740 CG LEU A 46 -4.659 4.475 3.657 1.00 0.00 C ATOM 741 CD1 LEU A 46 -3.779 3.411 4.320 1.00 0.00 C ATOM 742 CD2 LEU A 46 -5.514 5.096 4.763 1.00 0.00 C ATOM 0 H LEU A 46 -4.071 8.023 1.404 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.358 5.096 0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.829 5.213 2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.783 6.451 3.561 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.269 4.002 2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.411 2.674 4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.172 2.917 3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.127 3.884 5.055 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.079 4.313 5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.869 5.601 5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.205 5.817 4.327 1.00 0.00 H new ATOM 754 N ILE A 47 -6.793 5.455 1.213 1.00 0.00 N ATOM 755 CA ILE A 47 -8.247 5.597 1.182 1.00 0.00 C ATOM 756 C ILE A 47 -8.902 4.259 1.473 1.00 0.00 C ATOM 757 O ILE A 47 -8.449 3.196 1.042 1.00 0.00 O ATOM 758 CB ILE A 47 -8.761 6.138 -0.186 1.00 0.00 C ATOM 759 CG1 ILE A 47 -8.235 7.529 -0.562 1.00 0.00 C ATOM 760 CG2 ILE A 47 -10.295 6.174 -0.167 1.00 0.00 C ATOM 761 CD1 ILE A 47 -8.679 7.990 -1.961 1.00 0.00 C ATOM 0 H ILE A 47 -6.487 4.540 0.883 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.516 6.324 1.948 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.377 5.454 -0.943 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.579 8.252 0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.146 7.522 -0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.662 6.552 -1.121 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.681 5.168 -0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.634 6.828 0.636 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.273 8.981 -2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.312 7.287 -2.709 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.768 8.029 -2.003 1.00 0.00 H new ATOM 773 N SER A 48 -9.949 4.326 2.286 1.00 0.00 N ATOM 774 CA SER A 48 -10.747 3.187 2.653 1.00 0.00 C ATOM 775 C SER A 48 -11.763 3.023 1.526 1.00 0.00 C ATOM 776 O SER A 48 -12.380 4.000 1.095 1.00 0.00 O ATOM 777 CB SER A 48 -11.432 3.443 3.994 1.00 0.00 C ATOM 778 OG SER A 48 -11.932 4.760 4.151 1.00 0.00 O ATOM 0 H SER A 48 -10.265 5.197 2.712 1.00 0.00 H new ATOM 0 HA SER A 48 -10.153 2.282 2.776 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.255 2.738 4.109 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.723 3.238 4.796 1.00 0.00 H new ATOM 0 HG SER A 48 -12.356 4.846 5.030 1.00 0.00 H new ATOM 784 N CYS A 49 -11.905 1.812 0.986 1.00 0.00 N ATOM 785 CA CYS A 49 -12.868 1.595 -0.077 1.00 0.00 C ATOM 786 C CYS A 49 -14.267 1.885 0.490 1.00 0.00 C ATOM 787 O CYS A 49 -14.581 1.531 1.630 1.00 0.00 O ATOM 788 CB CYS A 49 -12.731 0.164 -0.608 1.00 0.00 C ATOM 789 SG CYS A 49 -11.123 -0.009 -1.428 1.00 0.00 S ATOM 0 H CYS A 49 -11.375 0.986 1.264 1.00 0.00 H new ATOM 0 HA CYS A 49 -12.692 2.261 -0.922 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -12.815 -0.551 0.210 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -13.537 -0.057 -1.308 1.00 0.00 H new ATOM 0 HG CYS A 49 -11.259 -0.726 -2.504 1.00 0.00 H new ATOM 795 N ARG A 50 -15.105 2.554 -0.298 1.00 0.00 N ATOM 796 CA ARG A 50 -16.472 2.879 0.105 1.00 0.00 C ATOM 797 C ARG A 50 -17.448 1.828 -0.396 1.00 0.00 C ATOM 798 O ARG A 50 -18.457 1.597 0.259 1.00 0.00 O ATOM 799 CB ARG A 50 -16.886 4.277 -0.366 1.00 0.00 C ATOM 800 CG ARG A 50 -16.789 4.496 -1.884 1.00 0.00 C ATOM 801 CD ARG A 50 -17.187 5.918 -2.276 1.00 0.00 C ATOM 802 NE ARG A 50 -18.585 6.250 -1.979 1.00 0.00 N ATOM 803 CZ ARG A 50 -19.069 7.491 -1.998 1.00 0.00 C ATOM 804 NH1 ARG A 50 -18.240 8.530 -2.091 1.00 0.00 N ATOM 805 NH2 ARG A 50 -20.373 7.705 -1.954 1.00 0.00 N ATOM 0 H ARG A 50 -14.858 2.885 -1.230 1.00 0.00 H new ATOM 0 HA ARG A 50 -16.499 2.881 1.195 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -17.913 4.463 -0.050 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -16.260 5.015 0.135 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -15.770 4.299 -2.216 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -17.435 3.783 -2.397 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.539 6.622 -1.755 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -17.011 6.052 -3.343 1.00 0.00 H new ATOM 0 HE ARG A 50 -19.222 5.488 -1.745 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -17.233 8.376 -2.148 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -18.612 9.480 -2.105 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -21.018 6.916 -1.905 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -20.734 8.659 -1.969 1.00 0.00 H new ATOM 819 N HIS A 51 -17.162 1.150 -1.510 1.00 0.00 N ATOM 820 CA HIS A 51 -18.040 0.135 -2.066 1.00 0.00 C ATOM 821 C HIS A 51 -17.644 -1.218 -1.476 1.00 0.00 C ATOM 822 O HIS A 51 -17.561 -2.227 -2.166 1.00 0.00 O ATOM 823 CB HIS A 51 -18.006 0.193 -3.607 1.00 0.00 C ATOM 824 CG HIS A 51 -19.280 -0.354 -4.213 1.00 0.00 C ATOM 825 ND1 HIS A 51 -20.571 -0.102 -3.780 1.00 0.00 N ATOM 826 CD2 HIS A 51 -19.371 -1.227 -5.264 1.00 0.00 C ATOM 827 CE1 HIS A 51 -21.413 -0.773 -4.575 1.00 0.00 C ATOM 828 NE2 HIS A 51 -20.727 -1.492 -5.474 1.00 0.00 N ATOM 0 H HIS A 51 -16.309 1.295 -2.050 1.00 0.00 H new ATOM 0 HA HIS A 51 -19.081 0.310 -1.795 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -17.862 1.224 -3.930 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -17.153 -0.378 -3.974 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -20.834 0.491 -2.993 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -18.546 -1.636 -5.828 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -22.490 -0.740 -4.502 1.00 0.00 H new ATOM 836 N VAL A 52 -17.332 -1.258 -0.182 1.00 0.00 N ATOM 837 CA VAL A 52 -16.919 -2.480 0.490 1.00 0.00 C ATOM 838 C VAL A 52 -18.052 -3.504 0.608 1.00 0.00 C ATOM 839 O VAL A 52 -17.787 -4.630 1.018 1.00 0.00 O ATOM 840 CB VAL A 52 -16.278 -2.150 1.853 1.00 0.00 C ATOM 841 CG1 VAL A 52 -14.903 -1.513 1.632 1.00 0.00 C ATOM 842 CG2 VAL A 52 -17.150 -1.203 2.692 1.00 0.00 C ATOM 0 H VAL A 52 -17.360 -0.441 0.428 1.00 0.00 H new ATOM 0 HA VAL A 52 -16.163 -2.960 -0.131 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.180 -3.085 2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -14.451 -1.280 2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.263 -2.209 1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -15.015 -0.596 1.053 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -16.656 -1.000 3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -17.295 -0.268 2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -18.118 -1.669 2.878 1.00 0.00 H new ATOM 852 N GLU A 53 -19.291 -3.140 0.275 1.00 0.00 N ATOM 853 CA GLU A 53 -20.498 -3.972 0.319 1.00 0.00 C ATOM 854 C GLU A 53 -20.443 -5.186 -0.623 1.00 0.00 C ATOM 855 O GLU A 53 -21.323 -6.043 -0.566 1.00 0.00 O ATOM 856 CB GLU A 53 -21.697 -3.064 0.011 1.00 0.00 C ATOM 857 CG GLU A 53 -21.700 -2.541 -1.437 1.00 0.00 C ATOM 858 CD GLU A 53 -22.528 -1.263 -1.561 1.00 0.00 C ATOM 859 OE1 GLU A 53 -21.944 -0.166 -1.399 1.00 0.00 O ATOM 860 OE2 GLU A 53 -23.738 -1.345 -1.875 1.00 0.00 O ATOM 0 H GLU A 53 -19.493 -2.196 -0.054 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.590 -4.408 1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -22.619 -3.615 0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -21.690 -2.217 0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.677 -2.347 -1.759 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.104 -3.305 -2.102 1.00 0.00 H new ATOM 867 N THR A 54 -19.411 -5.271 -1.466 1.00 0.00 N ATOM 868 CA THR A 54 -19.197 -6.355 -2.414 1.00 0.00 C ATOM 869 C THR A 54 -17.840 -7.040 -2.193 1.00 0.00 C ATOM 870 O THR A 54 -17.402 -7.837 -3.025 1.00 0.00 O ATOM 871 CB THR A 54 -19.387 -5.799 -3.835 1.00 0.00 C ATOM 872 OG1 THR A 54 -19.509 -6.860 -4.752 1.00 0.00 O ATOM 873 CG2 THR A 54 -18.257 -4.875 -4.289 1.00 0.00 C ATOM 0 H THR A 54 -18.680 -4.561 -1.505 1.00 0.00 H new ATOM 0 HA THR A 54 -19.931 -7.146 -2.259 1.00 0.00 H new ATOM 0 HB THR A 54 -20.297 -5.200 -3.806 1.00 0.00 H new ATOM 0 HG1 THR A 54 -18.856 -7.557 -4.534 1.00 0.00 H new ATOM 0 HG21 THR A 54 -18.460 -4.522 -5.300 1.00 0.00 H new ATOM 0 HG22 THR A 54 -18.191 -4.022 -3.613 1.00 0.00 H new ATOM 0 HG23 THR A 54 -17.314 -5.421 -4.278 1.00 0.00 H new ATOM 881 N LEU A 55 -17.116 -6.696 -1.130 1.00 0.00 N ATOM 882 CA LEU A 55 -15.823 -7.283 -0.812 1.00 0.00 C ATOM 883 C LEU A 55 -15.989 -8.199 0.382 1.00 0.00 C ATOM 884 O LEU A 55 -17.022 -8.209 1.060 1.00 0.00 O ATOM 885 CB LEU A 55 -14.805 -6.191 -0.469 1.00 0.00 C ATOM 886 CG LEU A 55 -14.456 -5.287 -1.651 1.00 0.00 C ATOM 887 CD1 LEU A 55 -13.518 -4.194 -1.128 1.00 0.00 C ATOM 888 CD2 LEU A 55 -13.829 -6.076 -2.816 1.00 0.00 C ATOM 0 H LEU A 55 -17.418 -5.991 -0.458 1.00 0.00 H new ATOM 0 HA LEU A 55 -15.460 -7.839 -1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -15.201 -5.579 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -13.893 -6.659 -0.099 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.362 -4.840 -2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -13.246 -3.526 -1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -14.022 -3.625 -0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.618 -4.652 -0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -13.597 -5.394 -3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -12.913 -6.560 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.532 -6.833 -3.163 1.00 0.00 H new ATOM 900 N GLU A 56 -14.955 -8.991 0.607 1.00 0.00 N ATOM 901 CA GLU A 56 -14.892 -9.934 1.702 1.00 0.00 C ATOM 902 C GLU A 56 -14.896 -9.147 2.999 1.00 0.00 C ATOM 903 O GLU A 56 -14.412 -8.007 3.069 1.00 0.00 O ATOM 904 CB GLU A 56 -13.636 -10.811 1.613 1.00 0.00 C ATOM 905 CG GLU A 56 -13.847 -12.008 0.680 1.00 0.00 C ATOM 906 CD GLU A 56 -14.611 -13.128 1.384 1.00 0.00 C ATOM 907 OE1 GLU A 56 -15.801 -13.355 1.057 1.00 0.00 O ATOM 908 OE2 GLU A 56 -13.999 -13.854 2.193 1.00 0.00 O ATOM 0 H GLU A 56 -14.121 -8.994 0.020 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.753 -10.602 1.658 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.799 -10.213 1.254 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.369 -11.167 2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.397 -11.690 -0.206 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.881 -12.381 0.339 1.00 0.00 H new ATOM 915 N LYS A 57 -15.387 -9.798 4.047 1.00 0.00 N ATOM 916 CA LYS A 57 -15.486 -9.206 5.372 1.00 0.00 C ATOM 917 C LYS A 57 -14.718 -10.020 6.391 1.00 0.00 C ATOM 918 O LYS A 57 -13.917 -9.480 7.141 1.00 0.00 O ATOM 919 CB LYS A 57 -16.969 -9.157 5.795 1.00 0.00 C ATOM 920 CG LYS A 57 -17.901 -8.379 4.856 1.00 0.00 C ATOM 921 CD LYS A 57 -17.386 -6.958 4.660 1.00 0.00 C ATOM 922 CE LYS A 57 -18.477 -6.030 4.145 1.00 0.00 C ATOM 923 NZ LYS A 57 -17.918 -4.701 3.848 1.00 0.00 N ATOM 0 H LYS A 57 -15.729 -10.758 3.999 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.062 -8.203 5.332 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.338 -10.179 5.879 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -17.030 -8.713 6.789 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.965 -8.886 3.893 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -18.909 -8.354 5.271 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.001 -6.577 5.606 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.553 -6.966 3.957 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.928 -6.451 3.247 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -19.269 -5.941 4.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -18.602 -3.967 4.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.035 -4.568 4.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.721 -4.627 2.830 1.00 0.00 H new ATOM 937 N ASP A 58 -14.933 -11.325 6.341 1.00 0.00 N ATOM 938 CA ASP A 58 -14.378 -12.358 7.207 1.00 0.00 C ATOM 939 C ASP A 58 -12.853 -12.394 7.203 1.00 0.00 C ATOM 940 O ASP A 58 -12.247 -12.872 8.167 1.00 0.00 O ATOM 941 CB ASP A 58 -14.904 -13.741 6.775 1.00 0.00 C ATOM 942 CG ASP A 58 -16.377 -14.020 7.096 1.00 0.00 C ATOM 943 OD1 ASP A 58 -16.687 -15.142 7.564 1.00 0.00 O ATOM 944 OD2 ASP A 58 -17.214 -13.106 6.898 1.00 0.00 O ATOM 0 H ASP A 58 -15.552 -11.724 5.635 1.00 0.00 H new ATOM 0 HA ASP A 58 -14.699 -12.113 8.220 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.759 -13.845 5.700 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.295 -14.507 7.254 1.00 0.00 H new ATOM 949 N ARG A 59 -12.212 -11.947 6.121 1.00 0.00 N ATOM 950 CA ARG A 59 -10.751 -11.938 6.011 1.00 0.00 C ATOM 951 C ARG A 59 -10.150 -10.688 6.636 1.00 0.00 C ATOM 952 O ARG A 59 -8.966 -10.691 6.971 1.00 0.00 O ATOM 953 CB ARG A 59 -10.342 -12.069 4.542 1.00 0.00 C ATOM 954 CG ARG A 59 -10.709 -13.458 3.995 1.00 0.00 C ATOM 955 CD ARG A 59 -10.571 -13.457 2.478 1.00 0.00 C ATOM 956 NE ARG A 59 -11.040 -14.712 1.888 1.00 0.00 N ATOM 957 CZ ARG A 59 -11.065 -14.977 0.578 1.00 0.00 C ATOM 958 NH1 ARG A 59 -10.605 -14.115 -0.329 1.00 0.00 N ATOM 959 NH2 ARG A 59 -11.575 -16.128 0.183 1.00 0.00 N ATOM 0 H ARG A 59 -12.690 -11.582 5.297 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.360 -12.791 6.565 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.838 -11.298 3.952 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.269 -11.906 4.443 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -10.058 -14.216 4.430 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -11.730 -13.714 4.278 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.139 -12.625 2.062 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.527 -13.296 2.208 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.372 -15.438 2.523 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.218 -13.219 -0.031 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.640 -14.351 -1.321 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.937 -16.788 0.871 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.607 -16.357 -0.810 1.00 0.00 H new ATOM 973 N GLY A 60 -10.943 -9.633 6.820 1.00 0.00 N ATOM 974 CA GLY A 60 -10.510 -8.386 7.403 1.00 0.00 C ATOM 975 C GLY A 60 -11.146 -7.212 6.684 1.00 0.00 C ATOM 976 O GLY A 60 -12.092 -7.380 5.909 1.00 0.00 O ATOM 0 H GLY A 60 -11.929 -9.633 6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.777 -8.360 8.460 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.424 -8.309 7.346 1.00 0.00 H new ATOM 980 N ASN A 61 -10.642 -6.006 6.944 1.00 0.00 N ATOM 981 CA ASN A 61 -11.146 -4.774 6.350 1.00 0.00 C ATOM 982 C ASN A 61 -10.285 -4.363 5.130 1.00 0.00 C ATOM 983 O ASN A 61 -9.169 -3.869 5.330 1.00 0.00 O ATOM 984 CB ASN A 61 -11.148 -3.693 7.442 1.00 0.00 C ATOM 985 CG ASN A 61 -12.041 -2.530 7.051 1.00 0.00 C ATOM 986 OD1 ASN A 61 -13.259 -2.675 7.072 1.00 0.00 O ATOM 987 ND2 ASN A 61 -11.472 -1.398 6.680 1.00 0.00 N ATOM 0 H ASN A 61 -9.861 -5.858 7.583 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.161 -4.913 5.978 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.493 -4.122 8.383 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.131 -3.336 7.608 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.049 -0.606 6.398 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.455 -1.316 6.676 1.00 0.00 H new ATOM 994 N PRO A 62 -10.730 -4.595 3.879 1.00 0.00 N ATOM 995 CA PRO A 62 -9.989 -4.252 2.662 1.00 0.00 C ATOM 996 C PRO A 62 -10.005 -2.747 2.362 1.00 0.00 C ATOM 997 O PRO A 62 -11.053 -2.105 2.471 1.00 0.00 O ATOM 998 CB PRO A 62 -10.687 -5.036 1.554 1.00 0.00 C ATOM 999 CG PRO A 62 -12.142 -5.062 2.009 1.00 0.00 C ATOM 1000 CD PRO A 62 -12.012 -5.182 3.522 1.00 0.00 C ATOM 0 HA PRO A 62 -8.933 -4.505 2.761 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -10.577 -4.549 0.585 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.279 -6.042 1.453 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.674 -4.157 1.718 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.686 -5.904 1.580 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.829 -4.662 4.023 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.060 -6.226 3.833 1.00 0.00 H new ATOM 1008 N ILE A 63 -8.860 -2.192 1.945 1.00 0.00 N ATOM 1009 CA ILE A 63 -8.662 -0.774 1.624 1.00 0.00 C ATOM 1010 C ILE A 63 -7.655 -0.625 0.474 1.00 0.00 C ATOM 1011 O ILE A 63 -7.248 -1.639 -0.109 1.00 0.00 O ATOM 1012 CB ILE A 63 -8.244 0.020 2.897 1.00 0.00 C ATOM 1013 CG1 ILE A 63 -6.925 -0.435 3.564 1.00 0.00 C ATOM 1014 CG2 ILE A 63 -9.349 -0.051 3.966 1.00 0.00 C ATOM 1015 CD1 ILE A 63 -5.649 0.105 2.910 1.00 0.00 C ATOM 0 H ILE A 63 -8.011 -2.743 1.817 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.604 -0.345 1.281 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.085 1.034 2.529 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.938 -0.126 4.609 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.887 -1.524 3.554 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.039 0.510 4.848 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.268 0.378 3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.524 -1.091 4.240 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.778 -0.269 3.448 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.604 -0.226 1.872 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.656 1.194 2.944 1.00 0.00 H new ATOM 1027 N TYR A 64 -7.286 0.617 0.117 1.00 0.00 N ATOM 1028 CA TYR A 64 -6.321 0.901 -0.933 1.00 0.00 C ATOM 1029 C TYR A 64 -5.316 1.958 -0.467 1.00 0.00 C ATOM 1030 O TYR A 64 -5.583 2.754 0.440 1.00 0.00 O ATOM 1031 CB TYR A 64 -7.026 1.305 -2.238 1.00 0.00 C ATOM 1032 CG TYR A 64 -6.183 1.206 -3.506 1.00 0.00 C ATOM 1033 CD1 TYR A 64 -6.330 2.170 -4.520 1.00 0.00 C ATOM 1034 CD2 TYR A 64 -5.294 0.131 -3.713 1.00 0.00 C ATOM 1035 CE1 TYR A 64 -5.614 2.063 -5.728 1.00 0.00 C ATOM 1036 CE2 TYR A 64 -4.557 0.028 -4.902 1.00 0.00 C ATOM 1037 CZ TYR A 64 -4.745 0.968 -5.930 1.00 0.00 C ATOM 1038 OH TYR A 64 -4.146 0.772 -7.133 1.00 0.00 O ATOM 0 H TYR A 64 -7.660 1.455 0.561 1.00 0.00 H new ATOM 0 HA TYR A 64 -5.761 -0.010 -1.146 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.909 0.678 -2.361 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -7.377 2.332 -2.137 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -7.001 3.003 -4.370 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.179 -0.622 -2.947 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -5.729 2.814 -6.496 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.845 -0.774 -5.028 1.00 0.00 H new ATOM 0 HH TYR A 64 -3.279 0.335 -6.999 1.00 0.00 H new ATOM 1048 N LEU A 65 -4.140 1.957 -1.096 1.00 0.00 N ATOM 1049 CA LEU A 65 -3.029 2.857 -0.818 1.00 0.00 C ATOM 1050 C LEU A 65 -2.181 2.985 -2.086 1.00 0.00 C ATOM 1051 O LEU A 65 -2.105 2.048 -2.888 1.00 0.00 O ATOM 1052 CB LEU A 65 -2.240 2.288 0.375 1.00 0.00 C ATOM 1053 CG LEU A 65 -0.928 2.998 0.740 1.00 0.00 C ATOM 1054 CD1 LEU A 65 -0.662 2.813 2.230 1.00 0.00 C ATOM 1055 CD2 LEU A 65 0.276 2.403 0.010 1.00 0.00 C ATOM 0 H LEU A 65 -3.931 1.298 -1.846 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.365 3.858 -0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.889 2.304 1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.013 1.243 0.165 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.044 4.045 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.268 3.314 2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.484 3.243 2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.580 1.750 2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.179 2.939 0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.378 1.350 0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.131 2.495 -1.066 1.00 0.00 H new ATOM 1067 N GLY A 66 -1.505 4.121 -2.262 1.00 0.00 N ATOM 1068 CA GLY A 66 -0.660 4.363 -3.427 1.00 0.00 C ATOM 1069 C GLY A 66 0.309 5.501 -3.169 1.00 0.00 C ATOM 1070 O GLY A 66 0.468 5.910 -2.020 1.00 0.00 O ATOM 0 H GLY A 66 -1.529 4.897 -1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.106 3.457 -3.673 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.283 4.600 -4.290 1.00 0.00 H new ATOM 1074 N LEU A 67 1.109 5.894 -4.162 1.00 0.00 N ATOM 1075 CA LEU A 67 2.015 7.030 -4.002 1.00 0.00 C ATOM 1076 C LEU A 67 1.141 8.250 -4.291 1.00 0.00 C ATOM 1077 O LEU A 67 0.014 8.112 -4.779 1.00 0.00 O ATOM 1078 CB LEU A 67 3.272 7.016 -4.910 1.00 0.00 C ATOM 1079 CG LEU A 67 4.025 5.694 -5.031 1.00 0.00 C ATOM 1080 CD1 LEU A 67 5.366 5.969 -5.730 1.00 0.00 C ATOM 1081 CD2 LEU A 67 4.291 5.018 -3.680 1.00 0.00 C ATOM 0 H LEU A 67 1.147 5.446 -5.078 1.00 0.00 H new ATOM 0 HA LEU A 67 2.446 7.016 -3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.971 7.327 -5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.967 7.769 -4.538 1.00 0.00 H new ATOM 0 HG LEU A 67 3.399 5.009 -5.603 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.923 5.037 -5.828 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.181 6.387 -6.720 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.946 6.678 -5.139 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.829 4.084 -3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.890 5.679 -3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.343 4.810 -3.184 1.00 0.00 H new ATOM 1093 N ASN A 68 1.631 9.462 -4.052 1.00 0.00 N ATOM 1094 CA ASN A 68 0.849 10.675 -4.322 1.00 0.00 C ATOM 1095 C ASN A 68 1.742 11.725 -4.968 1.00 0.00 C ATOM 1096 O ASN A 68 1.789 12.877 -4.544 1.00 0.00 O ATOM 1097 CB ASN A 68 0.078 11.070 -3.074 1.00 0.00 C ATOM 1098 CG ASN A 68 -0.717 12.353 -3.203 1.00 0.00 C ATOM 1099 OD1 ASN A 68 -0.574 13.219 -2.357 1.00 0.00 O ATOM 1100 ND2 ASN A 68 -1.565 12.522 -4.208 1.00 0.00 N ATOM 0 H ASN A 68 2.562 9.636 -3.673 1.00 0.00 H new ATOM 0 HA ASN A 68 0.067 10.517 -5.065 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -0.604 10.261 -2.813 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.780 11.175 -2.247 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.106 13.384 -4.279 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -1.676 11.790 -4.910 1.00 0.00 H new ATOM 1107 N GLY A 69 2.495 11.274 -5.977 1.00 0.00 N ATOM 1108 CA GLY A 69 3.453 12.074 -6.710 1.00 0.00 C ATOM 1109 C GLY A 69 3.076 12.183 -8.177 1.00 0.00 C ATOM 1110 O GLY A 69 2.524 13.208 -8.573 1.00 0.00 O ATOM 0 H GLY A 69 2.445 10.311 -6.308 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.508 13.071 -6.272 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.445 11.631 -6.619 1.00 0.00 H new ATOM 1114 N LEU A 70 3.304 11.121 -8.959 1.00 0.00 N ATOM 1115 CA LEU A 70 3.036 11.069 -10.402 1.00 0.00 C ATOM 1116 C LEU A 70 1.819 10.242 -10.837 1.00 0.00 C ATOM 1117 O LEU A 70 1.768 9.769 -11.973 1.00 0.00 O ATOM 1118 CB LEU A 70 4.311 10.588 -11.112 1.00 0.00 C ATOM 1119 CG LEU A 70 4.695 11.508 -12.275 1.00 0.00 C ATOM 1120 CD1 LEU A 70 5.976 10.954 -12.879 1.00 0.00 C ATOM 1121 CD2 LEU A 70 3.671 11.674 -13.406 1.00 0.00 C ATOM 0 H LEU A 70 3.691 10.250 -8.596 1.00 0.00 H new ATOM 0 HA LEU A 70 2.764 12.083 -10.696 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.132 10.545 -10.396 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.160 9.575 -11.484 1.00 0.00 H new ATOM 0 HG LEU A 70 4.783 12.503 -11.839 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.286 11.582 -13.714 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.760 10.944 -12.122 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.801 9.938 -13.234 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.070 12.350 -14.162 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.468 10.703 -13.858 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.747 12.087 -13.002 1.00 0.00 H new ATOM 1133 N ASN A 71 0.829 10.063 -9.965 1.00 0.00 N ATOM 1134 CA ASN A 71 -0.394 9.298 -10.236 1.00 0.00 C ATOM 1135 C ASN A 71 -0.050 7.812 -10.411 1.00 0.00 C ATOM 1136 O ASN A 71 -0.019 7.286 -11.527 1.00 0.00 O ATOM 1137 CB ASN A 71 -1.204 9.861 -11.426 1.00 0.00 C ATOM 1138 CG ASN A 71 -1.293 11.373 -11.474 1.00 0.00 C ATOM 1139 OD1 ASN A 71 -0.844 12.020 -12.421 1.00 0.00 O ATOM 1140 ND2 ASN A 71 -1.852 11.982 -10.447 1.00 0.00 N ATOM 0 H ASN A 71 0.853 10.455 -9.024 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.052 9.400 -9.373 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.754 9.508 -12.354 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.214 9.452 -11.386 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.916 13.000 -10.431 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.220 11.435 -9.669 1.00 0.00 H new ATOM 1147 N LEU A 72 0.278 7.138 -9.303 1.00 0.00 N ATOM 1148 CA LEU A 72 0.662 5.729 -9.263 1.00 0.00 C ATOM 1149 C LEU A 72 0.227 5.091 -7.944 1.00 0.00 C ATOM 1150 O LEU A 72 0.373 5.734 -6.900 1.00 0.00 O ATOM 1151 CB LEU A 72 2.190 5.556 -9.359 1.00 0.00 C ATOM 1152 CG LEU A 72 3.024 6.720 -9.937 1.00 0.00 C ATOM 1153 CD1 LEU A 72 3.296 7.789 -8.867 1.00 0.00 C ATOM 1154 CD2 LEU A 72 4.400 6.277 -10.409 1.00 0.00 C ATOM 0 H LEU A 72 0.283 7.575 -8.382 1.00 0.00 H new ATOM 0 HA LEU A 72 0.174 5.251 -10.113 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.564 5.344 -8.357 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.387 4.672 -9.966 1.00 0.00 H new ATOM 0 HG LEU A 72 2.432 7.102 -10.768 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.885 8.597 -9.301 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.349 8.186 -8.501 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.847 7.343 -8.039 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.942 7.135 -10.806 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.953 5.854 -9.571 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.292 5.524 -11.190 1.00 0.00 H new ATOM 1166 N CYS A 73 -0.238 3.835 -7.952 1.00 0.00 N ATOM 1167 CA CYS A 73 -0.659 3.127 -6.741 1.00 0.00 C ATOM 1168 C CYS A 73 -0.303 1.644 -6.811 1.00 0.00 C ATOM 1169 O CYS A 73 -0.016 1.122 -7.888 1.00 0.00 O ATOM 1170 CB CYS A 73 -2.159 3.266 -6.448 1.00 0.00 C ATOM 1171 SG CYS A 73 -2.802 4.952 -6.569 1.00 0.00 S ATOM 0 H CYS A 73 -0.332 3.281 -8.803 1.00 0.00 H new ATOM 0 HA CYS A 73 -0.113 3.602 -5.926 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.711 2.631 -7.141 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.355 2.888 -5.445 1.00 0.00 H new ATOM 0 HG CYS A 73 -2.645 5.390 -7.783 1.00 0.00 H new ATOM 1177 N LEU A 74 -0.360 0.958 -5.665 1.00 0.00 N ATOM 1178 CA LEU A 74 -0.040 -0.461 -5.533 1.00 0.00 C ATOM 1179 C LEU A 74 -0.930 -1.291 -6.460 1.00 0.00 C ATOM 1180 O LEU A 74 -2.016 -0.839 -6.850 1.00 0.00 O ATOM 1181 CB LEU A 74 -0.149 -0.884 -4.061 1.00 0.00 C ATOM 1182 CG LEU A 74 0.811 -0.151 -3.095 1.00 0.00 C ATOM 1183 CD1 LEU A 74 0.549 -0.592 -1.655 1.00 0.00 C ATOM 1184 CD2 LEU A 74 2.306 -0.384 -3.346 1.00 0.00 C ATOM 0 H LEU A 74 -0.637 1.388 -4.783 1.00 0.00 H new ATOM 0 HA LEU A 74 0.989 -0.642 -5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.173 -0.718 -3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.039 -1.955 -3.992 1.00 0.00 H new ATOM 0 HG LEU A 74 0.600 0.904 -3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.231 -0.069 -0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.480 -0.355 -1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.709 -1.667 -1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.889 0.175 -2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.529 -1.447 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.563 -0.046 -4.350 1.00 0.00 H new ATOM 1196 N MET A 75 -0.483 -2.497 -6.831 1.00 0.00 N ATOM 1197 CA MET A 75 -1.245 -3.338 -7.756 1.00 0.00 C ATOM 1198 C MET A 75 -0.682 -4.742 -7.657 1.00 0.00 C ATOM 1199 O MET A 75 0.537 -4.880 -7.527 1.00 0.00 O ATOM 1200 CB MET A 75 -1.011 -2.794 -9.182 1.00 0.00 C ATOM 1201 CG MET A 75 -2.132 -2.957 -10.190 1.00 0.00 C ATOM 1202 SD MET A 75 -2.457 -4.644 -10.750 1.00 0.00 S ATOM 1203 CE MET A 75 -1.233 -4.756 -12.079 1.00 0.00 C ATOM 0 H MET A 75 0.393 -2.907 -6.508 1.00 0.00 H new ATOM 0 HA MET A 75 -2.310 -3.339 -7.525 1.00 0.00 H new ATOM 0 HB2 MET A 75 -0.783 -1.731 -9.103 1.00 0.00 H new ATOM 0 HB3 MET A 75 -0.123 -3.281 -9.586 1.00 0.00 H new ATOM 0 HG2 MET A 75 -3.047 -2.558 -9.753 1.00 0.00 H new ATOM 0 HG3 MET A 75 -1.902 -2.344 -11.062 1.00 0.00 H new ATOM 0 HE1 MET A 75 -1.265 -5.752 -12.520 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.458 -4.013 -12.844 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.238 -4.571 -11.674 1.00 0.00 H new ATOM 1213 N CYS A 76 -1.539 -5.764 -7.691 1.00 0.00 N ATOM 1214 CA CYS A 76 -1.113 -7.157 -7.598 1.00 0.00 C ATOM 1215 C CYS A 76 -1.153 -7.772 -8.994 1.00 0.00 C ATOM 1216 O CYS A 76 -2.215 -7.814 -9.630 1.00 0.00 O ATOM 1217 CB CYS A 76 -1.986 -7.967 -6.634 1.00 0.00 C ATOM 1218 SG CYS A 76 -2.395 -7.045 -5.123 1.00 0.00 S ATOM 0 H CYS A 76 -2.548 -5.647 -7.784 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.099 -7.183 -7.199 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.907 -8.257 -7.139 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -1.467 -8.887 -6.365 1.00 0.00 H new ATOM 0 HG CYS A 76 -3.457 -6.324 -5.329 1.00 0.00 H new ATOM 1224 N ALA A 77 -0.004 -8.235 -9.476 1.00 0.00 N ATOM 1225 CA ALA A 77 0.169 -8.845 -10.784 1.00 0.00 C ATOM 1226 C ALA A 77 0.811 -10.214 -10.581 1.00 0.00 C ATOM 1227 O ALA A 77 0.930 -10.685 -9.444 1.00 0.00 O ATOM 1228 CB ALA A 77 1.039 -7.923 -11.646 1.00 0.00 C ATOM 0 H ALA A 77 0.865 -8.192 -8.943 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.782 -8.980 -11.299 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.177 -8.369 -12.631 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.550 -6.955 -11.751 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.010 -7.789 -11.169 1.00 0.00 H new ATOM 1234 N LYS A 78 1.204 -10.856 -11.681 1.00 0.00 N ATOM 1235 CA LYS A 78 1.851 -12.161 -11.706 1.00 0.00 C ATOM 1236 C LYS A 78 3.098 -11.987 -12.541 1.00 0.00 C ATOM 1237 O LYS A 78 2.996 -11.449 -13.651 1.00 0.00 O ATOM 1238 CB LYS A 78 0.888 -13.209 -12.289 1.00 0.00 C ATOM 1239 CG LYS A 78 1.365 -14.663 -12.095 1.00 0.00 C ATOM 1240 CD LYS A 78 0.185 -15.643 -12.209 1.00 0.00 C ATOM 1241 CE LYS A 78 0.595 -17.110 -12.012 1.00 0.00 C ATOM 1242 NZ LYS A 78 -0.577 -17.994 -11.800 1.00 0.00 N ATOM 0 H LYS A 78 1.074 -10.463 -12.613 1.00 0.00 H new ATOM 0 HA LYS A 78 2.117 -12.519 -10.712 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.090 -13.091 -11.822 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.758 -13.017 -13.354 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.119 -14.906 -12.843 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.838 -14.768 -11.119 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.570 -15.381 -11.467 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.279 -15.531 -13.189 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.152 -17.450 -12.885 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.266 -17.187 -11.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.254 -18.974 -11.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.095 -17.686 -10.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.205 -17.942 -12.627 1.00 0.00 H new ATOM 1256 N VAL A 79 4.259 -12.373 -12.017 1.00 0.00 N ATOM 1257 CA VAL A 79 5.516 -12.253 -12.757 1.00 0.00 C ATOM 1258 C VAL A 79 5.813 -13.543 -13.535 1.00 0.00 C ATOM 1259 O VAL A 79 6.732 -13.573 -14.348 1.00 0.00 O ATOM 1260 CB VAL A 79 6.636 -11.788 -11.809 1.00 0.00 C ATOM 1261 CG1 VAL A 79 7.105 -12.898 -10.855 1.00 0.00 C ATOM 1262 CG2 VAL A 79 7.827 -11.185 -12.552 1.00 0.00 C ATOM 0 H VAL A 79 4.357 -12.772 -11.083 1.00 0.00 H new ATOM 0 HA VAL A 79 5.439 -11.481 -13.523 1.00 0.00 H new ATOM 0 HB VAL A 79 6.188 -10.999 -11.205 1.00 0.00 H new ATOM 0 HG11 VAL A 79 7.895 -12.514 -10.210 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.266 -13.230 -10.243 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.486 -13.739 -11.435 1.00 0.00 H new ATOM 0 HG21 VAL A 79 8.585 -10.875 -11.833 1.00 0.00 H new ATOM 0 HG22 VAL A 79 8.250 -11.929 -13.227 1.00 0.00 H new ATOM 0 HG23 VAL A 79 7.497 -10.320 -13.127 1.00 0.00 H new ATOM 1272 N GLY A 80 5.027 -14.598 -13.311 1.00 0.00 N ATOM 1273 CA GLY A 80 5.182 -15.871 -13.979 1.00 0.00 C ATOM 1274 C GLY A 80 4.369 -16.901 -13.235 1.00 0.00 C ATOM 1275 O GLY A 80 3.213 -17.122 -13.569 1.00 0.00 O ATOM 0 H GLY A 80 4.254 -14.581 -12.646 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.848 -15.799 -15.014 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.232 -16.162 -14.003 1.00 0.00 H new ATOM 1279 N ASP A 81 4.925 -17.448 -12.157 1.00 0.00 N ATOM 1280 CA ASP A 81 4.267 -18.470 -11.328 1.00 0.00 C ATOM 1281 C ASP A 81 4.019 -17.997 -9.893 1.00 0.00 C ATOM 1282 O ASP A 81 3.592 -18.756 -9.020 1.00 0.00 O ATOM 1283 CB ASP A 81 5.110 -19.748 -11.353 1.00 0.00 C ATOM 1284 CG ASP A 81 4.214 -20.975 -11.195 1.00 0.00 C ATOM 1285 OD1 ASP A 81 4.475 -21.800 -10.293 1.00 0.00 O ATOM 1286 OD2 ASP A 81 3.268 -21.127 -12.004 1.00 0.00 O ATOM 0 H ASP A 81 5.856 -17.195 -11.826 1.00 0.00 H new ATOM 0 HA ASP A 81 3.282 -18.669 -11.749 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.662 -19.810 -12.291 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.847 -19.722 -10.551 1.00 0.00 H new ATOM 1291 N GLN A 82 4.274 -16.713 -9.639 1.00 0.00 N ATOM 1292 CA GLN A 82 4.132 -16.080 -8.337 1.00 0.00 C ATOM 1293 C GLN A 82 3.560 -14.665 -8.486 1.00 0.00 C ATOM 1294 O GLN A 82 3.795 -14.026 -9.524 1.00 0.00 O ATOM 1295 CB GLN A 82 5.502 -16.060 -7.625 1.00 0.00 C ATOM 1296 CG GLN A 82 6.716 -15.983 -8.579 1.00 0.00 C ATOM 1297 CD GLN A 82 8.011 -15.551 -7.901 1.00 0.00 C ATOM 1298 OE1 GLN A 82 8.017 -14.869 -6.884 1.00 0.00 O ATOM 1299 NE2 GLN A 82 9.149 -15.891 -8.474 1.00 0.00 N ATOM 0 H GLN A 82 4.595 -16.068 -10.361 1.00 0.00 H new ATOM 0 HA GLN A 82 3.432 -16.653 -7.729 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.533 -15.207 -6.947 1.00 0.00 H new ATOM 0 HB3 GLN A 82 5.593 -16.957 -7.013 1.00 0.00 H new ATOM 0 HG2 GLN A 82 6.867 -16.960 -9.038 1.00 0.00 H new ATOM 0 HG3 GLN A 82 6.489 -15.284 -9.384 1.00 0.00 H new ATOM 0 HE21 GLN A 82 9.144 -16.459 -9.321 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.035 -15.586 -8.070 1.00 0.00 H new ATOM 1308 N PRO A 83 2.827 -14.176 -7.465 1.00 0.00 N ATOM 1309 CA PRO A 83 2.238 -12.853 -7.487 1.00 0.00 C ATOM 1310 C PRO A 83 3.307 -11.827 -7.115 1.00 0.00 C ATOM 1311 O PRO A 83 4.185 -12.108 -6.283 1.00 0.00 O ATOM 1312 CB PRO A 83 1.113 -12.888 -6.458 1.00 0.00 C ATOM 1313 CG PRO A 83 1.595 -13.891 -5.422 1.00 0.00 C ATOM 1314 CD PRO A 83 2.493 -14.845 -6.210 1.00 0.00 C ATOM 0 HA PRO A 83 1.851 -12.575 -8.467 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.946 -11.906 -6.016 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.170 -13.200 -6.907 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.144 -13.400 -4.618 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.760 -14.419 -4.961 1.00 0.00 H new ATOM 0 HD2 PRO A 83 3.396 -15.080 -5.646 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.981 -15.788 -6.400 1.00 0.00 H new ATOM 1322 N THR A 84 3.186 -10.622 -7.662 1.00 0.00 N ATOM 1323 CA THR A 84 4.127 -9.540 -7.453 1.00 0.00 C ATOM 1324 C THR A 84 3.400 -8.210 -7.401 1.00 0.00 C ATOM 1325 O THR A 84 2.197 -8.119 -7.661 1.00 0.00 O ATOM 1326 CB THR A 84 5.136 -9.533 -8.620 1.00 0.00 C ATOM 1327 OG1 THR A 84 4.468 -9.703 -9.857 1.00 0.00 O ATOM 1328 CG2 THR A 84 6.192 -10.626 -8.486 1.00 0.00 C ATOM 0 H THR A 84 2.412 -10.370 -8.276 1.00 0.00 H new ATOM 0 HA THR A 84 4.646 -9.687 -6.506 1.00 0.00 H new ATOM 0 HB THR A 84 5.635 -8.565 -8.586 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.967 -9.243 -10.564 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.876 -10.576 -9.333 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.749 -10.482 -7.560 1.00 0.00 H new ATOM 0 HG23 THR A 84 5.706 -11.601 -8.469 1.00 0.00 H new ATOM 1336 N LEU A 85 4.140 -7.179 -7.021 1.00 0.00 N ATOM 1337 CA LEU A 85 3.658 -5.816 -6.927 1.00 0.00 C ATOM 1338 C LEU A 85 3.922 -5.108 -8.263 1.00 0.00 C ATOM 1339 O LEU A 85 4.896 -5.419 -8.947 1.00 0.00 O ATOM 1340 CB LEU A 85 4.427 -5.130 -5.794 1.00 0.00 C ATOM 1341 CG LEU A 85 3.603 -4.893 -4.520 1.00 0.00 C ATOM 1342 CD1 LEU A 85 4.572 -4.327 -3.467 1.00 0.00 C ATOM 1343 CD2 LEU A 85 2.322 -4.058 -4.594 1.00 0.00 C ATOM 0 H LEU A 85 5.122 -7.275 -6.762 1.00 0.00 H new ATOM 0 HA LEU A 85 2.589 -5.782 -6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.296 -5.737 -5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.801 -4.171 -6.154 1.00 0.00 H new ATOM 0 HG LEU A 85 3.180 -5.867 -4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.032 -4.141 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.371 -5.046 -3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.000 -3.393 -3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.871 -3.995 -3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.561 -3.055 -4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.620 -4.528 -5.283 1.00 0.00 H new ATOM 1355 N GLN A 86 3.099 -4.121 -8.622 1.00 0.00 N ATOM 1356 CA GLN A 86 3.221 -3.327 -9.846 1.00 0.00 C ATOM 1357 C GLN A 86 2.686 -1.924 -9.544 1.00 0.00 C ATOM 1358 O GLN A 86 1.550 -1.600 -9.841 1.00 0.00 O ATOM 1359 CB GLN A 86 2.474 -4.017 -11.002 1.00 0.00 C ATOM 1360 CG GLN A 86 3.373 -4.990 -11.789 1.00 0.00 C ATOM 1361 CD GLN A 86 2.828 -5.268 -13.189 1.00 0.00 C ATOM 1362 OE1 GLN A 86 1.625 -5.329 -13.406 1.00 0.00 O ATOM 1363 NE2 GLN A 86 3.698 -5.442 -14.170 1.00 0.00 N ATOM 0 H GLN A 86 2.302 -3.843 -8.049 1.00 0.00 H new ATOM 0 HA GLN A 86 4.260 -3.243 -10.166 1.00 0.00 H new ATOM 0 HB2 GLN A 86 1.617 -4.561 -10.603 1.00 0.00 H new ATOM 0 HB3 GLN A 86 2.083 -3.259 -11.681 1.00 0.00 H new ATOM 0 HG2 GLN A 86 4.377 -4.573 -11.867 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.459 -5.928 -11.241 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.699 -5.389 -13.980 1.00 0.00 H new ATOM 0 HE22 GLN A 86 3.368 -5.629 -15.117 1.00 0.00 H new ATOM 1372 N LEU A 87 3.499 -1.078 -8.925 1.00 0.00 N ATOM 1373 CA LEU A 87 3.167 0.284 -8.512 1.00 0.00 C ATOM 1374 C LEU A 87 3.824 1.247 -9.449 1.00 0.00 C ATOM 1375 O LEU A 87 5.011 1.508 -9.276 1.00 0.00 O ATOM 1376 CB LEU A 87 3.621 0.590 -7.075 1.00 0.00 C ATOM 1377 CG LEU A 87 4.703 -0.286 -6.424 1.00 0.00 C ATOM 1378 CD1 LEU A 87 4.163 -1.669 -6.184 1.00 0.00 C ATOM 1379 CD2 LEU A 87 6.069 -0.396 -7.125 1.00 0.00 C ATOM 0 H LEU A 87 4.457 -1.334 -8.684 1.00 0.00 H new ATOM 0 HA LEU A 87 2.082 0.385 -8.541 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.979 1.619 -7.057 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.738 0.548 -6.437 1.00 0.00 H new ATOM 0 HG LEU A 87 4.928 0.253 -5.503 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.934 -2.286 -5.722 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.299 -1.612 -5.522 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.864 -2.113 -7.134 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.724 -1.047 -6.546 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.933 -0.813 -8.123 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.519 0.594 -7.203 1.00 0.00 H new ATOM 1391 N LYS A 88 3.096 1.739 -10.443 1.00 0.00 N ATOM 1392 CA LYS A 88 3.662 2.652 -11.435 1.00 0.00 C ATOM 1393 C LYS A 88 2.580 3.366 -12.251 1.00 0.00 C ATOM 1394 O LYS A 88 2.840 4.437 -12.784 1.00 0.00 O ATOM 1395 CB LYS A 88 4.443 1.865 -12.510 1.00 0.00 C ATOM 1396 CG LYS A 88 5.670 0.994 -12.192 1.00 0.00 C ATOM 1397 CD LYS A 88 5.254 -0.493 -12.156 1.00 0.00 C ATOM 1398 CE LYS A 88 5.324 -0.994 -13.612 1.00 0.00 C ATOM 1399 NZ LYS A 88 4.624 -2.267 -13.859 1.00 0.00 N ATOM 0 H LYS A 88 2.110 1.522 -10.586 1.00 0.00 H new ATOM 0 HA LYS A 88 4.274 3.348 -10.862 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.720 1.212 -13.000 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.767 2.595 -13.252 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.443 1.148 -12.945 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.097 1.286 -11.233 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.921 -1.068 -11.514 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.247 -0.606 -11.753 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.902 -0.230 -14.265 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.371 -1.110 -13.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 4.722 -2.528 -14.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.039 -3.012 -13.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 3.616 -2.160 -13.626 1.00 0.00 H new ATOM 1413 N GLU A 89 1.406 2.769 -12.400 1.00 0.00 N ATOM 1414 CA GLU A 89 0.288 3.285 -13.171 1.00 0.00 C ATOM 1415 C GLU A 89 -1.029 2.896 -12.486 1.00 0.00 C ATOM 1416 O GLU A 89 -1.382 1.716 -12.487 1.00 0.00 O ATOM 1417 CB GLU A 89 0.436 2.739 -14.608 1.00 0.00 C ATOM 1418 CG GLU A 89 0.311 1.203 -14.735 1.00 0.00 C ATOM 1419 CD GLU A 89 0.944 0.634 -16.007 1.00 0.00 C ATOM 1420 OE1 GLU A 89 0.422 0.843 -17.134 1.00 0.00 O ATOM 1421 OE2 GLU A 89 1.886 -0.175 -15.867 1.00 0.00 O ATOM 0 H GLU A 89 1.199 1.870 -11.965 1.00 0.00 H new ATOM 0 HA GLU A 89 0.280 4.374 -13.224 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.322 3.204 -15.238 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.407 3.044 -14.999 1.00 0.00 H new ATOM 0 HG2 GLU A 89 0.779 0.737 -13.868 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.744 0.931 -14.713 1.00 0.00 H new ATOM 1428 N LYS A 90 -1.709 3.816 -11.787 1.00 0.00 N ATOM 1429 CA LYS A 90 -2.989 3.579 -11.091 1.00 0.00 C ATOM 1430 C LYS A 90 -3.360 4.833 -10.293 1.00 0.00 C ATOM 1431 O LYS A 90 -2.469 5.575 -9.892 1.00 0.00 O ATOM 1432 CB LYS A 90 -2.893 2.372 -10.118 1.00 0.00 C ATOM 1433 CG LYS A 90 -3.763 1.150 -10.463 1.00 0.00 C ATOM 1434 CD LYS A 90 -5.288 1.356 -10.515 1.00 0.00 C ATOM 1435 CE LYS A 90 -5.755 1.503 -11.977 1.00 0.00 C ATOM 1436 NZ LYS A 90 -7.216 1.689 -12.136 1.00 0.00 N ATOM 0 H LYS A 90 -1.377 4.775 -11.685 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.749 3.355 -11.839 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.853 2.050 -10.073 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.164 2.715 -9.119 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.441 0.771 -11.433 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.554 0.370 -9.731 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.793 0.511 -10.047 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.562 2.245 -9.947 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.242 2.353 -12.426 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.451 0.617 -12.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.447 1.779 -13.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.716 0.868 -11.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.513 2.550 -11.635 1.00 0.00 H new ATOM 1450 N ASP A 91 -4.638 5.003 -9.942 1.00 0.00 N ATOM 1451 CA ASP A 91 -5.111 6.155 -9.175 1.00 0.00 C ATOM 1452 C ASP A 91 -6.080 5.718 -8.086 1.00 0.00 C ATOM 1453 O ASP A 91 -7.072 5.036 -8.353 1.00 0.00 O ATOM 1454 CB ASP A 91 -5.743 7.218 -10.084 1.00 0.00 C ATOM 1455 CG ASP A 91 -4.663 8.208 -10.502 1.00 0.00 C ATOM 1456 OD1 ASP A 91 -4.288 8.186 -11.688 1.00 0.00 O ATOM 1457 OD2 ASP A 91 -4.160 8.939 -9.608 1.00 0.00 O ATOM 0 H ASP A 91 -5.376 4.341 -10.184 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.245 6.612 -8.696 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -6.186 6.749 -10.963 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.547 7.735 -9.559 1.00 0.00 H new ATOM 1462 N ILE A 92 -5.803 6.145 -6.855 1.00 0.00 N ATOM 1463 CA ILE A 92 -6.573 5.851 -5.657 1.00 0.00 C ATOM 1464 C ILE A 92 -7.952 6.498 -5.625 1.00 0.00 C ATOM 1465 O ILE A 92 -8.932 5.811 -5.331 1.00 0.00 O ATOM 1466 CB ILE A 92 -5.732 6.262 -4.425 1.00 0.00 C ATOM 1467 CG1 ILE A 92 -6.254 5.638 -3.117 1.00 0.00 C ATOM 1468 CG2 ILE A 92 -5.558 7.784 -4.253 1.00 0.00 C ATOM 1469 CD1 ILE A 92 -5.128 4.947 -2.367 1.00 0.00 C ATOM 0 H ILE A 92 -4.994 6.735 -6.661 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.775 4.780 -5.649 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.743 5.855 -4.636 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.695 6.412 -2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.044 4.920 -3.340 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.956 7.984 -3.366 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.058 8.195 -5.130 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -6.536 8.252 -4.141 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.517 4.513 -1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.706 4.158 -2.990 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.352 5.673 -2.126 1.00 0.00 H new ATOM 1481 N MET A 93 -8.034 7.795 -5.944 1.00 0.00 N ATOM 1482 CA MET A 93 -9.295 8.508 -5.896 1.00 0.00 C ATOM 1483 C MET A 93 -10.288 7.934 -6.883 1.00 0.00 C ATOM 1484 O MET A 93 -11.477 7.953 -6.605 1.00 0.00 O ATOM 1485 CB MET A 93 -9.100 10.007 -6.127 1.00 0.00 C ATOM 1486 CG MET A 93 -10.083 10.785 -5.257 1.00 0.00 C ATOM 1487 SD MET A 93 -9.570 10.823 -3.521 1.00 0.00 S ATOM 1488 CE MET A 93 -11.132 11.234 -2.710 1.00 0.00 C ATOM 0 H MET A 93 -7.238 8.362 -6.236 1.00 0.00 H new ATOM 0 HA MET A 93 -9.704 8.377 -4.894 1.00 0.00 H new ATOM 0 HB2 MET A 93 -8.077 10.294 -5.884 1.00 0.00 H new ATOM 0 HB3 MET A 93 -9.258 10.248 -7.178 1.00 0.00 H new ATOM 0 HG2 MET A 93 -10.170 11.805 -5.632 1.00 0.00 H new ATOM 0 HG3 MET A 93 -11.072 10.332 -5.333 1.00 0.00 H new ATOM 0 HE1 MET A 93 -11.165 10.767 -1.726 1.00 0.00 H new ATOM 0 HE2 MET A 93 -11.212 12.316 -2.601 1.00 0.00 H new ATOM 0 HE3 MET A 93 -11.963 10.868 -3.313 1.00 0.00 H new ATOM 1498 N ASP A 94 -9.802 7.379 -7.990 1.00 0.00 N ATOM 1499 CA ASP A 94 -10.643 6.786 -9.012 1.00 0.00 C ATOM 1500 C ASP A 94 -11.372 5.588 -8.441 1.00 0.00 C ATOM 1501 O ASP A 94 -12.595 5.557 -8.468 1.00 0.00 O ATOM 1502 CB ASP A 94 -9.800 6.399 -10.234 1.00 0.00 C ATOM 1503 CG ASP A 94 -9.923 7.403 -11.372 1.00 0.00 C ATOM 1504 OD1 ASP A 94 -9.986 6.935 -12.535 1.00 0.00 O ATOM 1505 OD2 ASP A 94 -9.932 8.621 -11.086 1.00 0.00 O ATOM 0 H ASP A 94 -8.805 7.331 -8.200 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.386 7.514 -9.339 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.754 6.317 -9.938 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.109 5.415 -10.587 1.00 0.00 H new ATOM 1510 N LEU A 95 -10.642 4.627 -7.867 1.00 0.00 N ATOM 1511 CA LEU A 95 -11.254 3.423 -7.295 1.00 0.00 C ATOM 1512 C LEU A 95 -12.163 3.721 -6.121 1.00 0.00 C ATOM 1513 O LEU A 95 -13.060 2.939 -5.812 1.00 0.00 O ATOM 1514 CB LEU A 95 -10.183 2.448 -6.810 1.00 0.00 C ATOM 1515 CG LEU A 95 -9.175 1.975 -7.866 1.00 0.00 C ATOM 1516 CD1 LEU A 95 -8.323 0.862 -7.245 1.00 0.00 C ATOM 1517 CD2 LEU A 95 -9.836 1.431 -9.140 1.00 0.00 C ATOM 0 H LEU A 95 -9.626 4.659 -7.786 1.00 0.00 H new ATOM 0 HA LEU A 95 -11.847 2.989 -8.100 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.632 2.920 -5.996 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.680 1.572 -6.393 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.580 2.839 -8.161 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -7.597 0.508 -7.977 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.798 1.250 -6.372 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.967 0.036 -6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.065 1.115 -9.843 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.468 0.580 -8.887 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.445 2.212 -9.596 1.00 0.00 H new ATOM 1529 N TYR A 96 -11.858 4.777 -5.389 1.00 0.00 N ATOM 1530 CA TYR A 96 -12.671 5.182 -4.268 1.00 0.00 C ATOM 1531 C TYR A 96 -13.950 5.826 -4.791 1.00 0.00 C ATOM 1532 O TYR A 96 -15.034 5.451 -4.363 1.00 0.00 O ATOM 1533 CB TYR A 96 -11.900 6.181 -3.407 1.00 0.00 C ATOM 1534 CG TYR A 96 -12.795 6.860 -2.388 1.00 0.00 C ATOM 1535 CD1 TYR A 96 -13.278 6.135 -1.284 1.00 0.00 C ATOM 1536 CD2 TYR A 96 -13.163 8.206 -2.554 1.00 0.00 C ATOM 1537 CE1 TYR A 96 -14.084 6.759 -0.322 1.00 0.00 C ATOM 1538 CE2 TYR A 96 -13.996 8.832 -1.609 1.00 0.00 C ATOM 1539 CZ TYR A 96 -14.467 8.110 -0.485 1.00 0.00 C ATOM 1540 OH TYR A 96 -15.301 8.704 0.412 1.00 0.00 O ATOM 0 H TYR A 96 -11.046 5.371 -5.557 1.00 0.00 H new ATOM 0 HA TYR A 96 -12.921 4.313 -3.660 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -11.089 5.666 -2.892 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -11.443 6.935 -4.048 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -13.026 5.090 -1.177 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -12.806 8.761 -3.409 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -14.413 6.207 0.546 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -14.277 9.866 -1.741 1.00 0.00 H new ATOM 0 HH TYR A 96 -15.458 9.634 0.146 1.00 0.00 H new ATOM 1550 N ASN A 97 -13.825 6.814 -5.677 1.00 0.00 N ATOM 1551 CA ASN A 97 -14.920 7.574 -6.261 1.00 0.00 C ATOM 1552 C ASN A 97 -15.885 6.703 -7.043 1.00 0.00 C ATOM 1553 O ASN A 97 -17.101 6.887 -6.934 1.00 0.00 O ATOM 1554 CB ASN A 97 -14.366 8.674 -7.180 1.00 0.00 C ATOM 1555 CG ASN A 97 -15.496 9.413 -7.876 1.00 0.00 C ATOM 1556 OD1 ASN A 97 -15.826 9.117 -9.017 1.00 0.00 O ATOM 1557 ND2 ASN A 97 -16.145 10.353 -7.211 1.00 0.00 N ATOM 0 H ASN A 97 -12.914 7.117 -6.020 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.474 8.016 -5.433 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -13.771 9.376 -6.597 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -13.701 8.233 -7.923 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -16.928 10.839 -7.648 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -15.863 10.593 -6.261 1.00 0.00 H new ATOM 1564 N GLN A 98 -15.356 5.803 -7.865 1.00 0.00 N ATOM 1565 CA GLN A 98 -16.203 4.936 -8.656 1.00 0.00 C ATOM 1566 C GLN A 98 -16.422 3.637 -7.877 1.00 0.00 C ATOM 1567 O GLN A 98 -15.504 3.165 -7.205 1.00 0.00 O ATOM 1568 CB GLN A 98 -15.620 4.769 -10.069 1.00 0.00 C ATOM 1569 CG GLN A 98 -14.424 3.816 -10.180 1.00 0.00 C ATOM 1570 CD GLN A 98 -13.338 4.233 -11.180 1.00 0.00 C ATOM 1571 OE1 GLN A 98 -13.438 5.186 -11.951 1.00 0.00 O ATOM 1572 NE2 GLN A 98 -12.267 3.458 -11.226 1.00 0.00 N ATOM 0 H GLN A 98 -14.355 5.660 -7.996 1.00 0.00 H new ATOM 0 HA GLN A 98 -17.191 5.367 -8.820 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -16.410 4.411 -10.729 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -15.317 5.749 -10.436 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -13.968 3.717 -9.195 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -14.793 2.829 -10.461 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -12.182 2.667 -10.588 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -11.526 3.651 -11.900 1.00 0.00 H new ATOM 1581 N PRO A 99 -17.603 3.008 -7.973 1.00 0.00 N ATOM 1582 CA PRO A 99 -17.915 1.773 -7.265 1.00 0.00 C ATOM 1583 C PRO A 99 -17.239 0.550 -7.908 1.00 0.00 C ATOM 1584 O PRO A 99 -17.889 -0.463 -8.150 1.00 0.00 O ATOM 1585 CB PRO A 99 -19.451 1.711 -7.245 1.00 0.00 C ATOM 1586 CG PRO A 99 -19.834 2.407 -8.550 1.00 0.00 C ATOM 1587 CD PRO A 99 -18.761 3.472 -8.722 1.00 0.00 C ATOM 0 HA PRO A 99 -17.521 1.759 -6.249 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -19.814 0.684 -7.213 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -19.865 2.223 -6.377 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -19.843 1.710 -9.388 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -20.829 2.848 -8.491 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -18.514 3.609 -9.775 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -19.106 4.436 -8.348 1.00 0.00 H new ATOM 1595 N GLU A 100 -15.935 0.602 -8.174 1.00 0.00 N ATOM 1596 CA GLU A 100 -15.168 -0.481 -8.776 1.00 0.00 C ATOM 1597 C GLU A 100 -14.079 -0.941 -7.793 1.00 0.00 C ATOM 1598 O GLU A 100 -12.894 -0.644 -7.974 1.00 0.00 O ATOM 1599 CB GLU A 100 -14.553 -0.016 -10.101 1.00 0.00 C ATOM 1600 CG GLU A 100 -15.562 0.301 -11.209 1.00 0.00 C ATOM 1601 CD GLU A 100 -16.264 -0.938 -11.759 1.00 0.00 C ATOM 1602 OE1 GLU A 100 -17.456 -1.183 -11.451 1.00 0.00 O ATOM 1603 OE2 GLU A 100 -15.643 -1.618 -12.594 1.00 0.00 O ATOM 0 H GLU A 100 -15.368 1.425 -7.969 1.00 0.00 H new ATOM 0 HA GLU A 100 -15.826 -1.324 -8.988 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -13.952 0.874 -9.913 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -13.874 -0.789 -10.460 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -16.311 0.993 -10.822 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -15.048 0.811 -12.024 1.00 0.00 H new ATOM 1610 N PRO A 101 -14.440 -1.645 -6.709 1.00 0.00 N ATOM 1611 CA PRO A 101 -13.478 -2.159 -5.753 1.00 0.00 C ATOM 1612 C PRO A 101 -12.839 -3.379 -6.437 1.00 0.00 C ATOM 1613 O PRO A 101 -13.392 -4.485 -6.417 1.00 0.00 O ATOM 1614 CB PRO A 101 -14.311 -2.488 -4.518 1.00 0.00 C ATOM 1615 CG PRO A 101 -15.674 -2.878 -5.089 1.00 0.00 C ATOM 1616 CD PRO A 101 -15.793 -2.040 -6.352 1.00 0.00 C ATOM 0 HA PRO A 101 -12.670 -1.492 -5.453 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -13.870 -3.303 -3.944 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -14.388 -1.632 -3.848 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -15.724 -3.944 -5.310 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -16.479 -2.660 -4.387 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -16.256 -2.612 -7.156 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -16.421 -1.166 -6.181 1.00 0.00 H new ATOM 1624 N VAL A 102 -11.723 -3.178 -7.137 1.00 0.00 N ATOM 1625 CA VAL A 102 -11.032 -4.236 -7.851 1.00 0.00 C ATOM 1626 C VAL A 102 -10.066 -4.853 -6.862 1.00 0.00 C ATOM 1627 O VAL A 102 -8.977 -4.326 -6.637 1.00 0.00 O ATOM 1628 CB VAL A 102 -10.340 -3.708 -9.120 1.00 0.00 C ATOM 1629 CG1 VAL A 102 -9.653 -4.853 -9.882 1.00 0.00 C ATOM 1630 CG2 VAL A 102 -11.330 -3.032 -10.085 1.00 0.00 C ATOM 0 H VAL A 102 -11.274 -2.266 -7.221 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.728 -4.992 -8.216 1.00 0.00 H new ATOM 0 HB VAL A 102 -9.609 -2.974 -8.783 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -9.170 -4.457 -10.776 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -8.904 -5.319 -9.241 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -10.397 -5.596 -10.170 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -10.795 -2.676 -10.965 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -12.090 -3.751 -10.389 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -11.807 -2.189 -9.585 1.00 0.00 H new ATOM 1640 N LYS A 103 -10.470 -5.968 -6.252 1.00 0.00 N ATOM 1641 CA LYS A 103 -9.673 -6.701 -5.268 1.00 0.00 C ATOM 1642 C LYS A 103 -8.252 -7.005 -5.729 1.00 0.00 C ATOM 1643 O LYS A 103 -7.377 -7.185 -4.886 1.00 0.00 O ATOM 1644 CB LYS A 103 -10.421 -7.949 -4.814 1.00 0.00 C ATOM 1645 CG LYS A 103 -10.737 -8.940 -5.942 1.00 0.00 C ATOM 1646 CD LYS A 103 -12.142 -9.513 -5.776 1.00 0.00 C ATOM 1647 CE LYS A 103 -13.191 -8.468 -6.164 1.00 0.00 C ATOM 1648 NZ LYS A 103 -14.508 -9.053 -6.475 1.00 0.00 N ATOM 0 H LYS A 103 -11.379 -6.395 -6.432 1.00 0.00 H new ATOM 0 HA LYS A 103 -9.542 -6.044 -4.408 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.828 -8.458 -4.054 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -11.355 -7.647 -4.340 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -10.654 -8.440 -6.907 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -10.006 -9.748 -5.938 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -12.256 -10.401 -6.398 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -12.295 -9.826 -4.743 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -13.302 -7.754 -5.348 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -12.835 -7.910 -7.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -15.173 -8.295 -6.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -14.415 -9.714 -7.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -14.867 -9.563 -5.643 1.00 0.00 H new ATOM 1662 N SER A 104 -7.997 -7.017 -7.037 1.00 0.00 N ATOM 1663 CA SER A 104 -6.678 -7.256 -7.586 1.00 0.00 C ATOM 1664 C SER A 104 -5.715 -6.133 -7.198 1.00 0.00 C ATOM 1665 O SER A 104 -4.505 -6.330 -7.283 1.00 0.00 O ATOM 1666 CB SER A 104 -6.769 -7.397 -9.113 1.00 0.00 C ATOM 1667 OG SER A 104 -8.048 -7.834 -9.561 1.00 0.00 O ATOM 0 H SER A 104 -8.713 -6.859 -7.746 1.00 0.00 H new ATOM 0 HA SER A 104 -6.287 -8.185 -7.170 1.00 0.00 H new ATOM 0 HB2 SER A 104 -6.538 -6.437 -9.574 1.00 0.00 H new ATOM 0 HB3 SER A 104 -6.012 -8.104 -9.452 1.00 0.00 H new ATOM 0 HG SER A 104 -8.046 -7.903 -10.539 1.00 0.00 H new ATOM 1673 N PHE A 105 -6.211 -4.972 -6.761 1.00 0.00 N ATOM 1674 CA PHE A 105 -5.383 -3.845 -6.361 1.00 0.00 C ATOM 1675 C PHE A 105 -5.525 -3.576 -4.856 1.00 0.00 C ATOM 1676 O PHE A 105 -4.625 -2.984 -4.281 1.00 0.00 O ATOM 1677 CB PHE A 105 -5.740 -2.600 -7.205 1.00 0.00 C ATOM 1678 CG PHE A 105 -6.101 -2.824 -8.674 1.00 0.00 C ATOM 1679 CD1 PHE A 105 -7.128 -2.062 -9.263 1.00 0.00 C ATOM 1680 CD2 PHE A 105 -5.460 -3.807 -9.453 1.00 0.00 C ATOM 1681 CE1 PHE A 105 -7.546 -2.307 -10.585 1.00 0.00 C ATOM 1682 CE2 PHE A 105 -5.888 -4.072 -10.766 1.00 0.00 C ATOM 1683 CZ PHE A 105 -6.938 -3.332 -11.335 1.00 0.00 C ATOM 0 H PHE A 105 -7.211 -4.792 -6.676 1.00 0.00 H new ATOM 0 HA PHE A 105 -4.337 -4.086 -6.548 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -6.580 -2.097 -6.725 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.894 -1.914 -7.167 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -7.602 -1.278 -8.692 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.632 -4.362 -9.038 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -8.332 -1.710 -11.023 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.406 -4.849 -11.341 1.00 0.00 H new ATOM 0 HZ PHE A 105 -7.276 -3.547 -12.338 1.00 0.00 H new ATOM 1693 N LEU A 106 -6.612 -4.010 -4.210 1.00 0.00 N ATOM 1694 CA LEU A 106 -6.875 -3.798 -2.786 1.00 0.00 C ATOM 1695 C LEU A 106 -6.110 -4.752 -1.874 1.00 0.00 C ATOM 1696 O LEU A 106 -5.649 -5.819 -2.295 1.00 0.00 O ATOM 1697 CB LEU A 106 -8.372 -3.987 -2.488 1.00 0.00 C ATOM 1698 CG LEU A 106 -9.359 -3.269 -3.421 1.00 0.00 C ATOM 1699 CD1 LEU A 106 -10.769 -3.389 -2.858 1.00 0.00 C ATOM 1700 CD2 LEU A 106 -9.009 -1.791 -3.616 1.00 0.00 C ATOM 0 H LEU A 106 -7.353 -4.533 -4.678 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.542 -2.781 -2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.592 -5.054 -2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.561 -3.650 -1.469 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.296 -3.750 -4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.470 -2.880 -3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.042 -4.442 -2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -10.806 -2.932 -1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.737 -1.330 -4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.027 -1.283 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.013 -1.707 -4.052 1.00 0.00 H new ATOM 1712 N PHE A 107 -6.054 -4.405 -0.586 1.00 0.00 N ATOM 1713 CA PHE A 107 -5.382 -5.198 0.440 1.00 0.00 C ATOM 1714 C PHE A 107 -6.051 -5.019 1.792 1.00 0.00 C ATOM 1715 O PHE A 107 -6.535 -3.933 2.115 1.00 0.00 O ATOM 1716 CB PHE A 107 -3.883 -4.891 0.551 1.00 0.00 C ATOM 1717 CG PHE A 107 -3.468 -3.584 -0.064 1.00 0.00 C ATOM 1718 CD1 PHE A 107 -3.648 -2.387 0.650 1.00 0.00 C ATOM 1719 CD2 PHE A 107 -3.020 -3.567 -1.396 1.00 0.00 C ATOM 1720 CE1 PHE A 107 -3.372 -1.166 0.020 1.00 0.00 C ATOM 1721 CE2 PHE A 107 -2.737 -2.345 -2.013 1.00 0.00 C ATOM 1722 CZ PHE A 107 -2.917 -1.142 -1.312 1.00 0.00 C ATOM 0 H PHE A 107 -6.481 -3.553 -0.224 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.474 -6.238 0.126 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.603 -4.888 1.604 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.324 -5.696 0.075 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.995 -2.408 1.673 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.895 -4.492 -1.939 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -3.509 -0.240 0.558 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.379 -2.326 -3.032 1.00 0.00 H new ATOM 0 HZ PHE A 107 -2.707 -0.199 -1.794 1.00 0.00 H new ATOM 1732 N TYR A 108 -6.151 -6.120 2.533 1.00 0.00 N ATOM 1733 CA TYR A 108 -6.696 -6.161 3.875 1.00 0.00 C ATOM 1734 C TYR A 108 -5.593 -5.557 4.748 1.00 0.00 C ATOM 1735 O TYR A 108 -4.458 -6.025 4.704 1.00 0.00 O ATOM 1736 CB TYR A 108 -7.029 -7.596 4.307 1.00 0.00 C ATOM 1737 CG TYR A 108 -7.058 -7.777 5.816 1.00 0.00 C ATOM 1738 CD1 TYR A 108 -7.593 -6.775 6.650 1.00 0.00 C ATOM 1739 CD2 TYR A 108 -6.460 -8.908 6.396 1.00 0.00 C ATOM 1740 CE1 TYR A 108 -7.505 -6.887 8.041 1.00 0.00 C ATOM 1741 CE2 TYR A 108 -6.407 -9.053 7.791 1.00 0.00 C ATOM 1742 CZ TYR A 108 -6.928 -8.035 8.612 1.00 0.00 C ATOM 1743 OH TYR A 108 -6.912 -8.149 9.959 1.00 0.00 O ATOM 0 H TYR A 108 -5.843 -7.034 2.200 1.00 0.00 H new ATOM 0 HA TYR A 108 -7.636 -5.614 3.955 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -7.999 -7.876 3.895 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -6.293 -8.277 3.880 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -8.075 -5.914 6.211 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -6.037 -9.673 5.762 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -7.878 -6.095 8.674 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -5.970 -9.938 8.231 1.00 0.00 H new ATOM 0 HH TYR A 108 -6.483 -8.994 10.211 1.00 0.00 H new ATOM 1753 N HIS A 109 -5.914 -4.499 5.490 1.00 0.00 N ATOM 1754 CA HIS A 109 -5.001 -3.801 6.384 1.00 0.00 C ATOM 1755 C HIS A 109 -5.248 -4.329 7.803 1.00 0.00 C ATOM 1756 O HIS A 109 -6.255 -3.970 8.428 1.00 0.00 O ATOM 1757 CB HIS A 109 -5.314 -2.313 6.249 1.00 0.00 C ATOM 1758 CG HIS A 109 -4.299 -1.318 6.727 1.00 0.00 C ATOM 1759 ND1 HIS A 109 -4.123 -0.049 6.212 1.00 0.00 N ATOM 1760 CD2 HIS A 109 -3.570 -1.414 7.876 1.00 0.00 C ATOM 1761 CE1 HIS A 109 -3.314 0.617 7.052 1.00 0.00 C ATOM 1762 NE2 HIS A 109 -2.981 -0.164 8.094 1.00 0.00 N ATOM 0 H HIS A 109 -6.850 -4.093 5.483 1.00 0.00 H new ATOM 0 HA HIS A 109 -3.949 -3.961 6.148 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -5.506 -2.110 5.195 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -6.243 -2.121 6.785 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -3.467 -2.290 8.500 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -2.979 1.634 6.911 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -2.407 0.104 8.893 1.00 0.00 H new ATOM 1770 N SER A 110 -4.393 -5.221 8.290 1.00 0.00 N ATOM 1771 CA SER A 110 -4.481 -5.825 9.613 1.00 0.00 C ATOM 1772 C SER A 110 -3.828 -4.912 10.652 1.00 0.00 C ATOM 1773 O SER A 110 -3.164 -3.947 10.282 1.00 0.00 O ATOM 1774 CB SER A 110 -3.788 -7.202 9.609 1.00 0.00 C ATOM 1775 OG SER A 110 -3.534 -7.735 8.314 1.00 0.00 O ATOM 0 H SER A 110 -3.591 -5.555 7.755 1.00 0.00 H new ATOM 0 HA SER A 110 -5.531 -5.958 9.872 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.843 -7.120 10.145 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.408 -7.907 10.162 1.00 0.00 H new ATOM 0 HG SER A 110 -4.336 -8.193 7.986 1.00 0.00 H new ATOM 1781 N GLN A 111 -3.985 -5.227 11.938 1.00 0.00 N ATOM 1782 CA GLN A 111 -3.411 -4.500 13.071 1.00 0.00 C ATOM 1783 C GLN A 111 -2.922 -5.480 14.125 1.00 0.00 C ATOM 1784 O GLN A 111 -3.543 -6.512 14.390 1.00 0.00 O ATOM 1785 CB GLN A 111 -4.409 -3.522 13.705 1.00 0.00 C ATOM 1786 CG GLN A 111 -5.825 -4.076 13.908 1.00 0.00 C ATOM 1787 CD GLN A 111 -6.627 -3.302 14.950 1.00 0.00 C ATOM 1788 OE1 GLN A 111 -6.465 -3.492 16.150 1.00 0.00 O ATOM 1789 NE2 GLN A 111 -7.540 -2.442 14.530 1.00 0.00 N ATOM 0 H GLN A 111 -4.540 -6.031 12.231 1.00 0.00 H new ATOM 0 HA GLN A 111 -2.575 -3.916 12.686 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -4.018 -3.204 14.672 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.470 -2.633 13.078 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -6.358 -4.052 12.957 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -5.760 -5.121 14.211 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -7.672 -2.286 13.531 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -8.112 -1.935 15.205 1.00 0.00 H new ATOM 1798 N SER A 112 -1.857 -5.077 14.802 1.00 0.00 N ATOM 1799 CA SER A 112 -1.205 -5.846 15.848 1.00 0.00 C ATOM 1800 C SER A 112 -0.853 -5.000 17.076 1.00 0.00 C ATOM 1801 O SER A 112 -0.089 -5.444 17.931 1.00 0.00 O ATOM 1802 CB SER A 112 -0.021 -6.600 15.238 1.00 0.00 C ATOM 1803 OG SER A 112 0.888 -5.755 14.567 1.00 0.00 O ATOM 0 H SER A 112 -1.409 -4.176 14.632 1.00 0.00 H new ATOM 0 HA SER A 112 -1.901 -6.585 16.246 1.00 0.00 H new ATOM 0 HB2 SER A 112 0.506 -7.136 16.027 1.00 0.00 H new ATOM 0 HB3 SER A 112 -0.396 -7.348 14.539 1.00 0.00 H new ATOM 0 HG SER A 112 1.622 -6.290 14.200 1.00 0.00 H new ATOM 1809 N GLY A 113 -1.424 -3.797 17.216 1.00 0.00 N ATOM 1810 CA GLY A 113 -1.186 -2.893 18.338 1.00 0.00 C ATOM 1811 C GLY A 113 -0.603 -1.595 17.818 1.00 0.00 C ATOM 1812 O GLY A 113 -1.334 -0.619 17.661 1.00 0.00 O ATOM 0 H GLY A 113 -2.080 -3.420 16.532 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -2.118 -2.700 18.869 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -0.502 -3.352 19.052 1.00 0.00 H new ATOM 1816 N ARG A 114 0.697 -1.590 17.525 1.00 0.00 N ATOM 1817 CA ARG A 114 1.415 -0.432 16.993 1.00 0.00 C ATOM 1818 C ARG A 114 1.859 -0.649 15.548 1.00 0.00 C ATOM 1819 O ARG A 114 2.477 0.246 14.970 1.00 0.00 O ATOM 1820 CB ARG A 114 2.614 -0.088 17.890 1.00 0.00 C ATOM 1821 CG ARG A 114 2.197 0.813 19.051 1.00 0.00 C ATOM 1822 CD ARG A 114 3.420 1.396 19.767 1.00 0.00 C ATOM 1823 NE ARG A 114 3.002 2.336 20.821 1.00 0.00 N ATOM 1824 CZ ARG A 114 2.437 2.013 21.988 1.00 0.00 C ATOM 1825 NH1 ARG A 114 2.330 0.730 22.326 1.00 0.00 N ATOM 1826 NH2 ARG A 114 1.986 2.945 22.825 1.00 0.00 N ATOM 0 H ARG A 114 1.293 -2.408 17.653 1.00 0.00 H new ATOM 0 HA ARG A 114 0.725 0.412 16.991 1.00 0.00 H new ATOM 0 HB2 ARG A 114 3.055 -1.006 18.279 1.00 0.00 H new ATOM 0 HB3 ARG A 114 3.383 0.409 17.299 1.00 0.00 H new ATOM 0 HG2 ARG A 114 1.570 1.623 18.679 1.00 0.00 H new ATOM 0 HG3 ARG A 114 1.595 0.243 19.759 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.011 0.591 20.203 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.060 1.908 19.048 1.00 0.00 H new ATOM 0 HE ARG A 114 3.159 3.328 20.643 1.00 0.00 H new ATOM 0 HH11 ARG A 114 2.677 0.006 21.697 1.00 0.00 H new ATOM 0 HH12 ARG A 114 1.901 0.471 23.214 1.00 0.00 H new ATOM 0 HH21 ARG A 114 2.068 3.932 22.581 1.00 0.00 H new ATOM 0 HH22 ARG A 114 1.559 2.672 23.710 1.00 0.00 H new ATOM 1840 N ASN A 115 1.577 -1.826 14.983 1.00 0.00 N ATOM 1841 CA ASN A 115 1.938 -2.186 13.625 1.00 0.00 C ATOM 1842 C ASN A 115 0.691 -2.660 12.910 1.00 0.00 C ATOM 1843 O ASN A 115 -0.295 -3.022 13.554 1.00 0.00 O ATOM 1844 CB ASN A 115 3.070 -3.232 13.587 1.00 0.00 C ATOM 1845 CG ASN A 115 4.260 -2.861 14.465 1.00 0.00 C ATOM 1846 OD1 ASN A 115 4.946 -1.868 14.234 1.00 0.00 O ATOM 1847 ND2 ASN A 115 4.469 -3.602 15.545 1.00 0.00 N ATOM 0 H ASN A 115 1.079 -2.567 15.476 1.00 0.00 H new ATOM 0 HA ASN A 115 2.336 -1.312 13.109 1.00 0.00 H new ATOM 0 HB2 ASN A 115 2.676 -4.196 13.909 1.00 0.00 H new ATOM 0 HB3 ASN A 115 3.409 -3.353 12.558 1.00 0.00 H new ATOM 0 HD21 ASN A 115 5.209 -3.351 16.200 1.00 0.00 H new ATOM 0 HD22 ASN A 115 3.889 -4.423 15.720 1.00 0.00 H new ATOM 1854 N SER A 116 0.739 -2.655 11.587 1.00 0.00 N ATOM 1855 CA SER A 116 -0.328 -3.049 10.690 1.00 0.00 C ATOM 1856 C SER A 116 0.236 -3.984 9.628 1.00 0.00 C ATOM 1857 O SER A 116 1.430 -3.883 9.353 1.00 0.00 O ATOM 1858 CB SER A 116 -0.858 -1.783 10.018 1.00 0.00 C ATOM 1859 OG SER A 116 -1.356 -0.805 10.926 1.00 0.00 O ATOM 0 H SER A 116 1.575 -2.357 11.084 1.00 0.00 H new ATOM 0 HA SER A 116 -1.124 -3.559 11.232 1.00 0.00 H new ATOM 0 HB2 SER A 116 -0.059 -1.338 9.425 1.00 0.00 H new ATOM 0 HB3 SER A 116 -1.654 -2.058 9.326 1.00 0.00 H new ATOM 0 HG SER A 116 -1.227 0.089 10.547 1.00 0.00 H new ATOM 1865 N THR A 117 -0.574 -4.895 9.077 1.00 0.00 N ATOM 1866 CA THR A 117 -0.140 -5.832 8.032 1.00 0.00 C ATOM 1867 C THR A 117 -0.950 -5.498 6.782 1.00 0.00 C ATOM 1868 O THR A 117 -1.923 -4.748 6.880 1.00 0.00 O ATOM 1869 CB THR A 117 -0.181 -7.321 8.443 1.00 0.00 C ATOM 1870 OG1 THR A 117 -0.510 -7.548 9.808 1.00 0.00 O ATOM 1871 CG2 THR A 117 1.176 -7.991 8.209 1.00 0.00 C ATOM 0 H THR A 117 -1.552 -5.004 9.344 1.00 0.00 H new ATOM 0 HA THR A 117 0.924 -5.698 7.834 1.00 0.00 H new ATOM 0 HB THR A 117 -0.968 -7.744 7.818 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.517 -8.511 9.987 1.00 0.00 H new ATOM 0 HG21 THR A 117 1.121 -9.038 8.506 1.00 0.00 H new ATOM 0 HG22 THR A 117 1.436 -7.927 7.152 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.938 -7.485 8.802 1.00 0.00 H new ATOM 1879 N PHE A 118 -0.547 -6.007 5.613 1.00 0.00 N ATOM 1880 CA PHE A 118 -1.201 -5.711 4.348 1.00 0.00 C ATOM 1881 C PHE A 118 -1.187 -6.980 3.512 1.00 0.00 C ATOM 1882 O PHE A 118 -0.121 -7.390 3.052 1.00 0.00 O ATOM 1883 CB PHE A 118 -0.459 -4.545 3.669 1.00 0.00 C ATOM 1884 CG PHE A 118 -0.485 -3.244 4.462 1.00 0.00 C ATOM 1885 CD1 PHE A 118 -1.351 -2.196 4.095 1.00 0.00 C ATOM 1886 CD2 PHE A 118 0.357 -3.086 5.583 1.00 0.00 C ATOM 1887 CE1 PHE A 118 -1.364 -1.004 4.842 1.00 0.00 C ATOM 1888 CE2 PHE A 118 0.245 -1.954 6.405 1.00 0.00 C ATOM 1889 CZ PHE A 118 -0.586 -0.894 6.012 1.00 0.00 C ATOM 0 H PHE A 118 0.248 -6.640 5.525 1.00 0.00 H new ATOM 0 HA PHE A 118 -2.237 -5.401 4.482 1.00 0.00 H new ATOM 0 HB2 PHE A 118 0.578 -4.836 3.503 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -0.901 -4.369 2.688 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -2.004 -2.307 3.242 1.00 0.00 H new ATOM 0 HD2 PHE A 118 1.094 -3.842 5.810 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -1.971 -0.172 4.518 1.00 0.00 H new ATOM 0 HE2 PHE A 118 0.794 -1.899 7.333 1.00 0.00 H new ATOM 0 HZ PHE A 118 -0.629 0.007 6.606 1.00 0.00 H new ATOM 1899 N GLU A 119 -2.346 -7.613 3.351 1.00 0.00 N ATOM 1900 CA GLU A 119 -2.560 -8.857 2.613 1.00 0.00 C ATOM 1901 C GLU A 119 -3.384 -8.583 1.347 1.00 0.00 C ATOM 1902 O GLU A 119 -4.476 -8.026 1.439 1.00 0.00 O ATOM 1903 CB GLU A 119 -3.335 -9.783 3.562 1.00 0.00 C ATOM 1904 CG GLU A 119 -3.849 -11.121 2.999 1.00 0.00 C ATOM 1905 CD GLU A 119 -5.152 -11.554 3.685 1.00 0.00 C ATOM 1906 OE1 GLU A 119 -6.184 -11.689 2.987 1.00 0.00 O ATOM 1907 OE2 GLU A 119 -5.150 -11.709 4.926 1.00 0.00 O ATOM 0 H GLU A 119 -3.210 -7.252 3.754 1.00 0.00 H new ATOM 0 HA GLU A 119 -1.618 -9.306 2.299 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -2.692 -10.003 4.414 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -4.192 -9.229 3.944 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -4.015 -11.026 1.926 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -3.090 -11.891 3.137 1.00 0.00 H new ATOM 1914 N SER A 120 -2.895 -8.960 0.163 1.00 0.00 N ATOM 1915 CA SER A 120 -3.620 -8.781 -1.108 1.00 0.00 C ATOM 1916 C SER A 120 -5.033 -9.395 -1.002 1.00 0.00 C ATOM 1917 O SER A 120 -5.185 -10.549 -0.598 1.00 0.00 O ATOM 1918 CB SER A 120 -2.800 -9.437 -2.230 1.00 0.00 C ATOM 1919 OG SER A 120 -3.437 -9.468 -3.495 1.00 0.00 O ATOM 0 H SER A 120 -1.982 -9.400 0.053 1.00 0.00 H new ATOM 0 HA SER A 120 -3.744 -7.722 -1.333 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.855 -8.904 -2.329 1.00 0.00 H new ATOM 0 HB3 SER A 120 -2.560 -10.459 -1.935 1.00 0.00 H new ATOM 0 HG SER A 120 -3.153 -8.693 -4.023 1.00 0.00 H new ATOM 1925 N VAL A 121 -6.078 -8.649 -1.383 1.00 0.00 N ATOM 1926 CA VAL A 121 -7.456 -9.155 -1.305 1.00 0.00 C ATOM 1927 C VAL A 121 -7.661 -10.270 -2.334 1.00 0.00 C ATOM 1928 O VAL A 121 -8.120 -11.362 -2.003 1.00 0.00 O ATOM 1929 CB VAL A 121 -8.501 -8.023 -1.442 1.00 0.00 C ATOM 1930 CG1 VAL A 121 -9.965 -8.479 -1.380 1.00 0.00 C ATOM 1931 CG2 VAL A 121 -8.393 -7.017 -0.296 1.00 0.00 C ATOM 0 H VAL A 121 -5.998 -7.699 -1.746 1.00 0.00 H new ATOM 0 HA VAL A 121 -7.612 -9.579 -0.313 1.00 0.00 H new ATOM 0 HB VAL A 121 -8.269 -7.609 -2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -10.620 -7.614 -1.485 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -10.161 -9.183 -2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -10.155 -8.964 -0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -9.142 -6.236 -0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -8.560 -7.527 0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -7.399 -6.570 -0.297 1.00 0.00 H new ATOM 1941 N ALA A 122 -7.301 -10.005 -3.589 1.00 0.00 N ATOM 1942 CA ALA A 122 -7.457 -10.967 -4.665 1.00 0.00 C ATOM 1943 C ALA A 122 -6.659 -12.250 -4.451 1.00 0.00 C ATOM 1944 O ALA A 122 -7.117 -13.322 -4.852 1.00 0.00 O ATOM 1945 CB ALA A 122 -6.976 -10.353 -5.970 1.00 0.00 C ATOM 0 H ALA A 122 -6.894 -9.117 -3.882 1.00 0.00 H new ATOM 0 HA ALA A 122 -8.517 -11.220 -4.691 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -7.093 -11.076 -6.777 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -7.564 -9.463 -6.192 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -5.925 -10.080 -5.878 1.00 0.00 H new ATOM 1951 N PHE A 123 -5.466 -12.135 -3.864 1.00 0.00 N ATOM 1952 CA PHE A 123 -4.569 -13.257 -3.610 1.00 0.00 C ATOM 1953 C PHE A 123 -4.120 -13.245 -2.143 1.00 0.00 C ATOM 1954 O PHE A 123 -3.022 -12.773 -1.832 1.00 0.00 O ATOM 1955 CB PHE A 123 -3.399 -13.242 -4.603 1.00 0.00 C ATOM 1956 CG PHE A 123 -3.733 -13.814 -5.969 1.00 0.00 C ATOM 1957 CD1 PHE A 123 -3.936 -12.969 -7.076 1.00 0.00 C ATOM 1958 CD2 PHE A 123 -3.795 -15.210 -6.145 1.00 0.00 C ATOM 1959 CE1 PHE A 123 -4.193 -13.518 -8.343 1.00 0.00 C ATOM 1960 CE2 PHE A 123 -4.041 -15.760 -7.413 1.00 0.00 C ATOM 1961 CZ PHE A 123 -4.237 -14.910 -8.516 1.00 0.00 C ATOM 0 H PHE A 123 -5.092 -11.241 -3.547 1.00 0.00 H new ATOM 0 HA PHE A 123 -5.095 -14.198 -3.771 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -3.055 -12.215 -4.726 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -2.570 -13.807 -4.178 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -3.894 -11.897 -6.951 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -3.652 -15.863 -5.297 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -4.358 -12.866 -9.188 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -4.080 -16.832 -7.541 1.00 0.00 H new ATOM 0 HZ PHE A 123 -4.421 -15.328 -9.495 1.00 0.00 H new ATOM 1971 N PRO A 124 -4.963 -13.772 -1.241 1.00 0.00 N ATOM 1972 CA PRO A 124 -4.653 -13.838 0.179 1.00 0.00 C ATOM 1973 C PRO A 124 -3.465 -14.770 0.442 1.00 0.00 C ATOM 1974 O PRO A 124 -3.133 -15.619 -0.389 1.00 0.00 O ATOM 1975 CB PRO A 124 -5.920 -14.372 0.839 1.00 0.00 C ATOM 1976 CG PRO A 124 -6.713 -15.049 -0.263 1.00 0.00 C ATOM 1977 CD PRO A 124 -6.276 -14.335 -1.525 1.00 0.00 C ATOM 0 HA PRO A 124 -4.366 -12.864 0.576 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -5.678 -15.077 1.635 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -6.494 -13.564 1.292 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -6.495 -16.116 -0.313 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -7.786 -14.950 -0.100 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -6.229 -15.026 -2.367 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -6.985 -13.552 -1.794 1.00 0.00 H new ATOM 1985 N GLY A 125 -2.833 -14.648 1.609 1.00 0.00 N ATOM 1986 CA GLY A 125 -1.679 -15.461 1.980 1.00 0.00 C ATOM 1987 C GLY A 125 -0.343 -14.830 1.570 1.00 0.00 C ATOM 1988 O GLY A 125 0.702 -15.411 1.843 1.00 0.00 O ATOM 0 H GLY A 125 -3.110 -13.978 2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -1.684 -15.618 3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -1.769 -16.443 1.515 1.00 0.00 H new ATOM 1992 N TRP A 126 -0.353 -13.652 0.943 1.00 0.00 N ATOM 1993 CA TRP A 126 0.809 -12.904 0.491 1.00 0.00 C ATOM 1994 C TRP A 126 0.708 -11.502 1.063 1.00 0.00 C ATOM 1995 O TRP A 126 -0.335 -10.854 0.921 1.00 0.00 O ATOM 1996 CB TRP A 126 0.846 -12.886 -1.039 1.00 0.00 C ATOM 1997 CG TRP A 126 1.304 -14.174 -1.661 1.00 0.00 C ATOM 1998 CD1 TRP A 126 2.572 -14.636 -1.655 1.00 0.00 C ATOM 1999 CD2 TRP A 126 0.522 -15.201 -2.338 1.00 0.00 C ATOM 2000 NE1 TRP A 126 2.638 -15.831 -2.338 1.00 0.00 N ATOM 2001 CE2 TRP A 126 1.406 -16.211 -2.818 1.00 0.00 C ATOM 2002 CE3 TRP A 126 -0.846 -15.378 -2.612 1.00 0.00 C ATOM 2003 CZ2 TRP A 126 0.967 -17.290 -3.600 1.00 0.00 C ATOM 2004 CZ3 TRP A 126 -1.301 -16.466 -3.380 1.00 0.00 C ATOM 2005 CH2 TRP A 126 -0.400 -17.409 -3.905 1.00 0.00 C ATOM 0 H TRP A 126 -1.226 -13.171 0.727 1.00 0.00 H new ATOM 0 HA TRP A 126 1.734 -13.367 0.834 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -0.151 -12.650 -1.412 1.00 0.00 H new ATOM 0 HB3 TRP A 126 1.507 -12.083 -1.365 1.00 0.00 H new ATOM 0 HD1 TRP A 126 3.410 -14.143 -1.185 1.00 0.00 H new ATOM 0 HE1 TRP A 126 3.495 -16.368 -2.471 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -1.560 -14.666 -2.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 1.673 -18.022 -3.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -2.358 -16.578 -3.569 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -0.753 -18.213 -4.534 1.00 0.00 H new ATOM 2016 N PHE A 127 1.791 -11.015 1.665 1.00 0.00 N ATOM 2017 CA PHE A 127 1.880 -9.708 2.282 1.00 0.00 C ATOM 2018 C PHE A 127 2.847 -8.785 1.554 1.00 0.00 C ATOM 2019 O PHE A 127 3.846 -9.231 0.990 1.00 0.00 O ATOM 2020 CB PHE A 127 2.333 -9.851 3.739 1.00 0.00 C ATOM 2021 CG PHE A 127 1.392 -10.635 4.631 1.00 0.00 C ATOM 2022 CD1 PHE A 127 1.604 -12.013 4.846 1.00 0.00 C ATOM 2023 CD2 PHE A 127 0.324 -9.977 5.278 1.00 0.00 C ATOM 2024 CE1 PHE A 127 0.763 -12.723 5.718 1.00 0.00 C ATOM 2025 CE2 PHE A 127 -0.516 -10.687 6.152 1.00 0.00 C ATOM 2026 CZ PHE A 127 -0.288 -12.058 6.376 1.00 0.00 C ATOM 0 H PHE A 127 2.659 -11.546 1.735 1.00 0.00 H new ATOM 0 HA PHE A 127 0.886 -9.263 2.229 1.00 0.00 H new ATOM 0 HB2 PHE A 127 3.310 -10.335 3.754 1.00 0.00 H new ATOM 0 HB3 PHE A 127 2.464 -8.855 4.162 1.00 0.00 H new ATOM 0 HD1 PHE A 127 2.412 -12.521 4.341 1.00 0.00 H new ATOM 0 HD2 PHE A 127 0.152 -8.926 5.101 1.00 0.00 H new ATOM 0 HE1 PHE A 127 0.923 -13.778 5.883 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -1.332 -10.184 6.649 1.00 0.00 H new ATOM 0 HZ PHE A 127 -0.924 -12.603 7.058 1.00 0.00 H new ATOM 2036 N ILE A 128 2.566 -7.486 1.611 1.00 0.00 N ATOM 2037 CA ILE A 128 3.398 -6.448 0.995 1.00 0.00 C ATOM 2038 C ILE A 128 4.596 -6.094 1.889 1.00 0.00 C ATOM 2039 O ILE A 128 4.394 -5.615 3.011 1.00 0.00 O ATOM 2040 CB ILE A 128 2.603 -5.145 0.754 1.00 0.00 C ATOM 2041 CG1 ILE A 128 1.119 -5.377 0.401 1.00 0.00 C ATOM 2042 CG2 ILE A 128 3.289 -4.358 -0.369 1.00 0.00 C ATOM 2043 CD1 ILE A 128 0.322 -4.131 0.010 1.00 0.00 C ATOM 0 H ILE A 128 1.745 -7.117 2.091 1.00 0.00 H new ATOM 0 HA ILE A 128 3.737 -6.859 0.044 1.00 0.00 H new ATOM 0 HB ILE A 128 2.603 -4.587 1.690 1.00 0.00 H new ATOM 0 HG12 ILE A 128 1.069 -6.090 -0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 128 0.631 -5.843 1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 128 2.741 -3.434 -0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 128 4.312 -4.121 -0.075 1.00 0.00 H new ATOM 0 HG23 ILE A 128 3.303 -4.959 -1.278 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -0.706 -4.413 -0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.329 -3.420 0.836 1.00 0.00 H new ATOM 0 HD13 ILE A 128 0.774 -3.671 -0.869 1.00 0.00 H new ATOM 2055 N ALA A 129 5.841 -6.277 1.431 1.00 0.00 N ATOM 2056 CA ALA A 129 6.975 -5.908 2.268 1.00 0.00 C ATOM 2057 C ALA A 129 7.193 -4.386 2.216 1.00 0.00 C ATOM 2058 O ALA A 129 6.901 -3.742 1.209 1.00 0.00 O ATOM 2059 CB ALA A 129 8.244 -6.635 1.815 1.00 0.00 C ATOM 0 H ALA A 129 6.078 -6.665 0.518 1.00 0.00 H new ATOM 0 HA ALA A 129 6.757 -6.204 3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 129 9.078 -6.344 2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 129 8.091 -7.712 1.885 1.00 0.00 H new ATOM 0 HB3 ALA A 129 8.468 -6.367 0.782 1.00 0.00 H new ATOM 2065 N VAL A 130 7.756 -3.822 3.282 1.00 0.00 N ATOM 2066 CA VAL A 130 8.083 -2.409 3.482 1.00 0.00 C ATOM 2067 C VAL A 130 9.593 -2.195 3.301 1.00 0.00 C ATOM 2068 O VAL A 130 10.021 -1.064 3.098 1.00 0.00 O ATOM 2069 CB VAL A 130 7.670 -1.981 4.917 1.00 0.00 C ATOM 2070 CG1 VAL A 130 7.727 -0.457 5.129 1.00 0.00 C ATOM 2071 CG2 VAL A 130 6.267 -2.440 5.361 1.00 0.00 C ATOM 0 H VAL A 130 8.016 -4.384 4.093 1.00 0.00 H new ATOM 0 HA VAL A 130 7.543 -1.808 2.751 1.00 0.00 H new ATOM 0 HB VAL A 130 8.415 -2.492 5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 130 7.428 -0.220 6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 130 8.744 -0.104 4.958 1.00 0.00 H new ATOM 0 HG13 VAL A 130 7.050 0.033 4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 130 6.074 -2.091 6.376 1.00 0.00 H new ATOM 0 HG22 VAL A 130 5.518 -2.025 4.686 1.00 0.00 H new ATOM 0 HG23 VAL A 130 6.215 -3.528 5.335 1.00 0.00 H new ATOM 2081 N SER A 131 10.396 -3.265 3.376 1.00 0.00 N ATOM 2082 CA SER A 131 11.865 -3.246 3.213 1.00 0.00 C ATOM 2083 C SER A 131 12.603 -2.391 4.248 1.00 0.00 C ATOM 2084 O SER A 131 13.593 -1.713 3.952 1.00 0.00 O ATOM 2085 CB SER A 131 12.195 -2.744 1.816 1.00 0.00 C ATOM 2086 OG SER A 131 11.548 -3.644 0.934 1.00 0.00 O ATOM 0 H SER A 131 10.034 -4.201 3.558 1.00 0.00 H new ATOM 0 HA SER A 131 12.210 -4.268 3.368 1.00 0.00 H new ATOM 0 HB2 SER A 131 11.838 -1.725 1.670 1.00 0.00 H new ATOM 0 HB3 SER A 131 13.272 -2.732 1.646 1.00 0.00 H new ATOM 0 HG SER A 131 11.727 -3.379 0.007 1.00 0.00 H new ATOM 2092 N SER A 132 12.132 -2.450 5.484 1.00 0.00 N ATOM 2093 CA SER A 132 12.697 -1.688 6.586 1.00 0.00 C ATOM 2094 C SER A 132 14.004 -2.275 7.122 1.00 0.00 C ATOM 2095 O SER A 132 14.723 -1.591 7.836 1.00 0.00 O ATOM 2096 CB SER A 132 11.666 -1.461 7.700 1.00 0.00 C ATOM 2097 OG SER A 132 10.397 -1.166 7.142 1.00 0.00 O ATOM 0 H SER A 132 11.340 -3.034 5.752 1.00 0.00 H new ATOM 0 HA SER A 132 12.961 -0.713 6.177 1.00 0.00 H new ATOM 0 HB2 SER A 132 11.597 -2.349 8.328 1.00 0.00 H new ATOM 0 HB3 SER A 132 11.988 -0.641 8.342 1.00 0.00 H new ATOM 0 HG SER A 132 9.839 -0.721 7.814 1.00 0.00 H new ATOM 2103 N GLU A 133 14.363 -3.490 6.721 1.00 0.00 N ATOM 2104 CA GLU A 133 15.571 -4.193 7.118 1.00 0.00 C ATOM 2105 C GLU A 133 16.820 -3.405 6.724 1.00 0.00 C ATOM 2106 O GLU A 133 17.533 -2.886 7.586 1.00 0.00 O ATOM 2107 CB GLU A 133 15.531 -5.577 6.462 1.00 0.00 C ATOM 2108 CG GLU A 133 14.778 -6.541 7.372 1.00 0.00 C ATOM 2109 CD GLU A 133 15.693 -6.992 8.518 1.00 0.00 C ATOM 2110 OE1 GLU A 133 16.409 -8.001 8.386 1.00 0.00 O ATOM 2111 OE2 GLU A 133 15.695 -6.299 9.564 1.00 0.00 O ATOM 0 H GLU A 133 13.789 -4.036 6.078 1.00 0.00 H new ATOM 0 HA GLU A 133 15.617 -4.302 8.202 1.00 0.00 H new ATOM 0 HB2 GLU A 133 15.041 -5.518 5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 133 16.544 -5.939 6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 133 13.888 -6.057 7.774 1.00 0.00 H new ATOM 0 HG3 GLU A 133 14.440 -7.406 6.801 1.00 0.00 H new ATOM 2118 N GLY A 134 17.061 -3.276 5.419 1.00 0.00 N ATOM 2119 CA GLY A 134 18.202 -2.571 4.863 1.00 0.00 C ATOM 2120 C GLY A 134 17.762 -1.464 3.928 1.00 0.00 C ATOM 2121 O GLY A 134 18.234 -0.338 4.069 1.00 0.00 O ATOM 0 H GLY A 134 16.448 -3.672 4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 134 18.802 -2.151 5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 134 18.839 -3.273 4.325 1.00 0.00 H new ATOM 2125 N GLY A 135 16.853 -1.768 3.003 1.00 0.00 N ATOM 2126 CA GLY A 135 16.328 -0.833 2.023 1.00 0.00 C ATOM 2127 C GLY A 135 16.209 -1.524 0.671 1.00 0.00 C ATOM 2128 O GLY A 135 16.892 -1.144 -0.282 1.00 0.00 O ATOM 0 H GLY A 135 16.452 -2.702 2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 135 15.353 -0.465 2.342 1.00 0.00 H new ATOM 0 HA3 GLY A 135 16.985 0.033 1.944 1.00 0.00 H new ATOM 2132 N CYS A 136 15.403 -2.586 0.623 1.00 0.00 N ATOM 2133 CA CYS A 136 15.157 -3.372 -0.588 1.00 0.00 C ATOM 2134 C CYS A 136 13.949 -2.818 -1.368 1.00 0.00 C ATOM 2135 O CYS A 136 13.283 -1.896 -0.883 1.00 0.00 O ATOM 2136 CB CYS A 136 14.921 -4.831 -0.162 1.00 0.00 C ATOM 2137 SG CYS A 136 16.360 -5.835 -0.634 1.00 0.00 S ATOM 0 H CYS A 136 14.894 -2.930 1.438 1.00 0.00 H new ATOM 0 HA CYS A 136 16.017 -3.314 -1.256 1.00 0.00 H new ATOM 0 HB2 CYS A 136 14.762 -4.886 0.915 1.00 0.00 H new ATOM 0 HB3 CYS A 136 14.020 -5.220 -0.637 1.00 0.00 H new ATOM 0 HG CYS A 136 16.165 -7.069 -0.274 1.00 0.00 H new ATOM 2143 N PRO A 137 13.644 -3.341 -2.573 1.00 0.00 N ATOM 2144 CA PRO A 137 12.495 -2.870 -3.325 1.00 0.00 C ATOM 2145 C PRO A 137 11.222 -3.366 -2.646 1.00 0.00 C ATOM 2146 O PRO A 137 11.259 -4.224 -1.763 1.00 0.00 O ATOM 2147 CB PRO A 137 12.645 -3.448 -4.734 1.00 0.00 C ATOM 2148 CG PRO A 137 13.324 -4.782 -4.441 1.00 0.00 C ATOM 2149 CD PRO A 137 14.296 -4.416 -3.316 1.00 0.00 C ATOM 0 HA PRO A 137 12.437 -1.782 -3.370 1.00 0.00 H new ATOM 0 HB2 PRO A 137 11.683 -3.577 -5.230 1.00 0.00 H new ATOM 0 HB3 PRO A 137 13.252 -2.811 -5.377 1.00 0.00 H new ATOM 0 HG2 PRO A 137 12.608 -5.542 -4.128 1.00 0.00 H new ATOM 0 HG3 PRO A 137 13.844 -5.174 -5.315 1.00 0.00 H new ATOM 0 HD2 PRO A 137 14.494 -5.274 -2.673 1.00 0.00 H new ATOM 0 HD3 PRO A 137 15.256 -4.090 -3.717 1.00 0.00 H new ATOM 2157 N LEU A 138 10.091 -2.801 -3.038 1.00 0.00 N ATOM 2158 CA LEU A 138 8.793 -3.165 -2.497 1.00 0.00 C ATOM 2159 C LEU A 138 8.277 -4.332 -3.320 1.00 0.00 C ATOM 2160 O LEU A 138 8.014 -4.175 -4.515 1.00 0.00 O ATOM 2161 CB LEU A 138 7.844 -1.979 -2.605 1.00 0.00 C ATOM 2162 CG LEU A 138 8.264 -0.748 -1.794 1.00 0.00 C ATOM 2163 CD1 LEU A 138 7.059 0.184 -1.763 1.00 0.00 C ATOM 2164 CD2 LEU A 138 8.741 -1.034 -0.363 1.00 0.00 C ATOM 0 H LEU A 138 10.049 -2.070 -3.748 1.00 0.00 H new ATOM 0 HA LEU A 138 8.867 -3.443 -1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 138 7.757 -1.694 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 138 6.853 -2.293 -2.277 1.00 0.00 H new ATOM 0 HG LEU A 138 9.135 -0.312 -2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.307 1.080 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 138 6.789 0.463 -2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 138 6.218 -0.324 -1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 138 9.014 -0.098 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 138 7.940 -1.514 0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 138 9.608 -1.693 -0.394 1.00 0.00 H new ATOM 2176 N ILE A 139 8.153 -5.492 -2.686 1.00 0.00 N ATOM 2177 CA ILE A 139 7.695 -6.733 -3.294 1.00 0.00 C ATOM 2178 C ILE A 139 6.733 -7.472 -2.360 1.00 0.00 C ATOM 2179 O ILE A 139 6.491 -7.003 -1.243 1.00 0.00 O ATOM 2180 CB ILE A 139 8.933 -7.595 -3.661 1.00 0.00 C ATOM 2181 CG1 ILE A 139 10.025 -7.777 -2.569 1.00 0.00 C ATOM 2182 CG2 ILE A 139 9.674 -6.943 -4.847 1.00 0.00 C ATOM 2183 CD1 ILE A 139 9.603 -8.483 -1.280 1.00 0.00 C ATOM 0 H ILE A 139 8.378 -5.597 -1.697 1.00 0.00 H new ATOM 0 HA ILE A 139 7.138 -6.519 -4.206 1.00 0.00 H new ATOM 0 HB ILE A 139 8.495 -8.574 -3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 139 10.853 -8.336 -3.006 1.00 0.00 H new ATOM 0 HG13 ILE A 139 10.409 -6.792 -2.306 1.00 0.00 H new ATOM 0 HG21 ILE A 139 10.544 -7.545 -5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 139 9.005 -6.882 -5.705 1.00 0.00 H new ATOM 0 HG23 ILE A 139 9.997 -5.940 -4.567 1.00 0.00 H new ATOM 0 HD11 ILE A 139 10.455 -8.545 -0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 139 8.801 -7.920 -0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 139 9.251 -9.488 -1.514 1.00 0.00 H new ATOM 2195 N LEU A 140 6.096 -8.551 -2.841 1.00 0.00 N ATOM 2196 CA LEU A 140 5.200 -9.351 -2.008 1.00 0.00 C ATOM 2197 C LEU A 140 6.001 -10.543 -1.511 1.00 0.00 C ATOM 2198 O LEU A 140 6.998 -10.942 -2.112 1.00 0.00 O ATOM 2199 CB LEU A 140 3.934 -9.879 -2.699 1.00 0.00 C ATOM 2200 CG LEU A 140 3.065 -8.805 -3.377 1.00 0.00 C ATOM 2201 CD1 LEU A 140 1.853 -9.479 -4.018 1.00 0.00 C ATOM 2202 CD2 LEU A 140 2.581 -7.778 -2.339 1.00 0.00 C ATOM 0 H LEU A 140 6.188 -8.885 -3.801 1.00 0.00 H new ATOM 0 HA LEU A 140 4.841 -8.690 -1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 140 4.227 -10.614 -3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 140 3.327 -10.403 -1.960 1.00 0.00 H new ATOM 0 HG LEU A 140 3.657 -8.292 -4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 140 1.231 -8.726 -4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 140 2.189 -10.202 -4.761 1.00 0.00 H new ATOM 0 HD13 LEU A 140 1.273 -9.991 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 140 1.967 -7.024 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 140 1.990 -8.284 -1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 140 3.442 -7.298 -1.874 1.00 0.00 H new ATOM 2214 N THR A 141 5.519 -11.147 -0.441 1.00 0.00 N ATOM 2215 CA THR A 141 6.113 -12.296 0.211 1.00 0.00 C ATOM 2216 C THR A 141 4.992 -13.119 0.774 1.00 0.00 C ATOM 2217 O THR A 141 3.867 -12.637 0.858 1.00 0.00 O ATOM 2218 CB THR A 141 7.123 -11.816 1.264 1.00 0.00 C ATOM 2219 OG1 THR A 141 7.486 -12.765 2.251 1.00 0.00 O ATOM 2220 CG2 THR A 141 6.781 -10.483 1.961 1.00 0.00 C ATOM 0 H THR A 141 4.663 -10.834 0.017 1.00 0.00 H new ATOM 0 HA THR A 141 6.677 -12.925 -0.478 1.00 0.00 H new ATOM 0 HB THR A 141 7.988 -11.652 0.621 1.00 0.00 H new ATOM 0 HG1 THR A 141 8.243 -12.423 2.770 1.00 0.00 H new ATOM 0 HG21 THR A 141 7.560 -10.240 2.684 1.00 0.00 H new ATOM 0 HG22 THR A 141 6.716 -9.689 1.217 1.00 0.00 H new ATOM 0 HG23 THR A 141 5.825 -10.577 2.476 1.00 0.00 H new ATOM 2228 N GLN A 142 5.274 -14.379 1.069 1.00 0.00 N ATOM 2229 CA GLN A 142 4.302 -15.296 1.619 1.00 0.00 C ATOM 2230 C GLN A 142 4.615 -15.465 3.100 1.00 0.00 C ATOM 2231 O GLN A 142 3.723 -15.425 3.944 1.00 0.00 O ATOM 2232 CB GLN A 142 4.434 -16.628 0.876 1.00 0.00 C ATOM 2233 CG GLN A 142 3.602 -17.755 1.500 1.00 0.00 C ATOM 2234 CD GLN A 142 3.683 -19.025 0.651 1.00 0.00 C ATOM 2235 OE1 GLN A 142 4.746 -19.410 0.167 1.00 0.00 O ATOM 2236 NE2 GLN A 142 2.583 -19.716 0.440 1.00 0.00 N ATOM 0 H GLN A 142 6.196 -14.793 0.930 1.00 0.00 H new ATOM 0 HA GLN A 142 3.282 -14.929 1.506 1.00 0.00 H new ATOM 0 HB2 GLN A 142 4.127 -16.490 -0.161 1.00 0.00 H new ATOM 0 HB3 GLN A 142 5.483 -16.925 0.861 1.00 0.00 H new ATOM 0 HG2 GLN A 142 3.961 -17.963 2.508 1.00 0.00 H new ATOM 0 HG3 GLN A 142 2.563 -17.439 1.591 1.00 0.00 H new ATOM 0 HE21 GLN A 142 1.699 -19.401 0.839 1.00 0.00 H new ATOM 0 HE22 GLN A 142 2.615 -20.566 -0.123 1.00 0.00 H new ATOM 2245 N GLU A 143 5.900 -15.661 3.413 1.00 0.00 N ATOM 2246 CA GLU A 143 6.369 -15.859 4.775 1.00 0.00 C ATOM 2247 C GLU A 143 7.868 -15.549 4.821 1.00 0.00 C ATOM 2248 O GLU A 143 8.652 -16.074 4.027 1.00 0.00 O ATOM 2249 CB GLU A 143 6.073 -17.295 5.253 1.00 0.00 C ATOM 2250 CG GLU A 143 6.422 -18.418 4.260 1.00 0.00 C ATOM 2251 CD GLU A 143 6.136 -19.797 4.857 1.00 0.00 C ATOM 2252 OE1 GLU A 143 4.959 -20.221 4.855 1.00 0.00 O ATOM 2253 OE2 GLU A 143 7.081 -20.454 5.348 1.00 0.00 O ATOM 0 H GLU A 143 6.645 -15.686 2.717 1.00 0.00 H new ATOM 0 HA GLU A 143 5.842 -15.187 5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 143 6.623 -17.470 6.178 1.00 0.00 H new ATOM 0 HB3 GLU A 143 5.012 -17.366 5.494 1.00 0.00 H new ATOM 0 HG2 GLU A 143 5.845 -18.289 3.344 1.00 0.00 H new ATOM 0 HG3 GLU A 143 7.475 -18.349 3.986 1.00 0.00 H new ATOM 2260 N LEU A 144 8.268 -14.668 5.731 1.00 0.00 N ATOM 2261 CA LEU A 144 9.649 -14.222 5.951 1.00 0.00 C ATOM 2262 C LEU A 144 10.110 -14.534 7.371 1.00 0.00 C ATOM 2263 O LEU A 144 11.036 -15.320 7.560 1.00 0.00 O ATOM 2264 CB LEU A 144 9.834 -12.727 5.626 1.00 0.00 C ATOM 2265 CG LEU A 144 8.782 -11.802 6.283 1.00 0.00 C ATOM 2266 CD1 LEU A 144 9.363 -10.644 7.095 1.00 0.00 C ATOM 2267 CD2 LEU A 144 7.837 -11.280 5.222 1.00 0.00 C ATOM 0 H LEU A 144 7.610 -14.221 6.369 1.00 0.00 H new ATOM 0 HA LEU A 144 10.278 -14.782 5.259 1.00 0.00 H new ATOM 0 HB2 LEU A 144 10.828 -12.416 5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 144 9.794 -12.594 4.545 1.00 0.00 H new ATOM 0 HG LEU A 144 8.250 -12.418 7.009 1.00 0.00 H new ATOM 0 HD11 LEU A 144 8.551 -10.052 7.516 1.00 0.00 H new ATOM 0 HD12 LEU A 144 9.981 -11.039 7.902 1.00 0.00 H new ATOM 0 HD13 LEU A 144 9.972 -10.015 6.446 1.00 0.00 H new ATOM 0 HD21 LEU A 144 7.095 -10.628 5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 144 8.401 -10.718 4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 144 7.333 -12.118 4.739 1.00 0.00 H new ATOM 2279 N GLY A 145 9.463 -13.915 8.356 1.00 0.00 N ATOM 2280 CA GLY A 145 9.718 -14.038 9.774 1.00 0.00 C ATOM 2281 C GLY A 145 10.390 -12.753 10.220 1.00 0.00 C ATOM 2282 O GLY A 145 9.748 -11.897 10.833 1.00 0.00 O ATOM 0 H GLY A 145 8.695 -13.272 8.162 1.00 0.00 H new ATOM 0 HA2 GLY A 145 8.788 -14.196 10.320 1.00 0.00 H new ATOM 0 HA3 GLY A 145 10.357 -14.897 9.977 1.00 0.00 H new ATOM 2286 N LYS A 146 11.640 -12.563 9.791 1.00 0.00 N ATOM 2287 CA LYS A 146 12.460 -11.401 10.126 1.00 0.00 C ATOM 2288 C LYS A 146 13.307 -10.895 8.952 1.00 0.00 C ATOM 2289 O LYS A 146 13.912 -9.835 9.064 1.00 0.00 O ATOM 2290 CB LYS A 146 13.317 -11.835 11.331 1.00 0.00 C ATOM 2291 CG LYS A 146 14.145 -10.767 12.059 1.00 0.00 C ATOM 2292 CD LYS A 146 13.311 -9.634 12.698 1.00 0.00 C ATOM 2293 CE LYS A 146 12.975 -8.426 11.805 1.00 0.00 C ATOM 2294 NZ LYS A 146 14.176 -7.928 11.101 1.00 0.00 N ATOM 0 H LYS A 146 12.120 -13.230 9.187 1.00 0.00 H new ATOM 0 HA LYS A 146 11.832 -10.544 10.370 1.00 0.00 H new ATOM 0 HB2 LYS A 146 12.653 -12.296 12.062 1.00 0.00 H new ATOM 0 HB3 LYS A 146 14.002 -12.611 10.989 1.00 0.00 H new ATOM 0 HG2 LYS A 146 14.734 -11.251 12.838 1.00 0.00 H new ATOM 0 HG3 LYS A 146 14.850 -10.328 11.353 1.00 0.00 H new ATOM 0 HD2 LYS A 146 12.374 -10.062 13.055 1.00 0.00 H new ATOM 0 HD3 LYS A 146 13.849 -9.269 13.573 1.00 0.00 H new ATOM 0 HE2 LYS A 146 12.215 -8.710 11.077 1.00 0.00 H new ATOM 0 HE3 LYS A 146 12.551 -7.628 12.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 14.021 -6.943 10.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 14.996 -7.972 11.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 14.357 -8.518 10.264 1.00 0.00 H new ATOM 2308 N ALA A 147 13.314 -11.597 7.813 1.00 0.00 N ATOM 2309 CA ALA A 147 14.096 -11.254 6.621 1.00 0.00 C ATOM 2310 C ALA A 147 13.656 -9.985 5.900 1.00 0.00 C ATOM 2311 O ALA A 147 14.408 -9.449 5.077 1.00 0.00 O ATOM 2312 CB ALA A 147 14.043 -12.416 5.634 1.00 0.00 C ATOM 0 H ALA A 147 12.759 -12.444 7.692 1.00 0.00 H new ATOM 0 HA ALA A 147 15.106 -11.062 6.983 1.00 0.00 H new ATOM 0 HB1 ALA A 147 14.623 -12.166 4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 147 14.460 -13.309 6.100 1.00 0.00 H new ATOM 0 HB3 ALA A 147 13.008 -12.605 5.350 1.00 0.00 H new ATOM 2318 N ASN A 148 12.425 -9.545 6.137 1.00 0.00 N ATOM 2319 CA ASN A 148 11.881 -8.330 5.539 1.00 0.00 C ATOM 2320 C ASN A 148 11.118 -7.643 6.667 1.00 0.00 C ATOM 2321 O ASN A 148 11.437 -7.816 7.841 1.00 0.00 O ATOM 2322 CB ASN A 148 11.055 -8.653 4.265 1.00 0.00 C ATOM 2323 CG ASN A 148 11.907 -8.555 3.013 1.00 0.00 C ATOM 2324 OD1 ASN A 148 12.489 -9.533 2.584 1.00 0.00 O ATOM 2325 ND2 ASN A 148 12.043 -7.396 2.391 1.00 0.00 N ATOM 0 H ASN A 148 11.771 -10.025 6.755 1.00 0.00 H new ATOM 0 HA ASN A 148 12.642 -7.649 5.160 1.00 0.00 H new ATOM 0 HB2 ASN A 148 10.637 -9.657 4.345 1.00 0.00 H new ATOM 0 HB3 ASN A 148 10.214 -7.963 4.190 1.00 0.00 H new ATOM 0 HD21 ASN A 148 12.631 -7.329 1.560 1.00 0.00 H new ATOM 0 HD22 ASN A 148 11.560 -6.569 2.742 1.00 0.00 H new ATOM 2332 N THR A 149 10.168 -6.780 6.352 1.00 0.00 N ATOM 2333 CA THR A 149 9.356 -6.086 7.330 1.00 0.00 C ATOM 2334 C THR A 149 8.027 -5.967 6.612 1.00 0.00 C ATOM 2335 O THR A 149 7.977 -5.280 5.598 1.00 0.00 O ATOM 2336 CB THR A 149 9.992 -4.747 7.742 1.00 0.00 C ATOM 2337 OG1 THR A 149 11.398 -4.898 7.891 1.00 0.00 O ATOM 2338 CG2 THR A 149 9.445 -4.287 9.082 1.00 0.00 C ATOM 0 H THR A 149 9.937 -6.539 5.388 1.00 0.00 H new ATOM 0 HA THR A 149 9.251 -6.596 8.287 1.00 0.00 H new ATOM 0 HB THR A 149 9.759 -4.019 6.965 1.00 0.00 H new ATOM 0 HG1 THR A 149 11.678 -4.525 8.753 1.00 0.00 H new ATOM 0 HG21 THR A 149 9.906 -3.338 9.357 1.00 0.00 H new ATOM 0 HG22 THR A 149 8.365 -4.158 9.009 1.00 0.00 H new ATOM 0 HG23 THR A 149 9.670 -5.034 9.843 1.00 0.00 H new ATOM 2346 N THR A 150 7.015 -6.719 7.020 1.00 0.00 N ATOM 2347 CA THR A 150 5.678 -6.703 6.421 1.00 0.00 C ATOM 2348 C THR A 150 4.663 -6.105 7.392 1.00 0.00 C ATOM 2349 O THR A 150 3.513 -5.873 7.005 1.00 0.00 O ATOM 2350 CB THR A 150 5.257 -8.142 6.074 1.00 0.00 C ATOM 2351 OG1 THR A 150 5.809 -9.037 7.024 1.00 0.00 O ATOM 2352 CG2 THR A 150 5.734 -8.547 4.683 1.00 0.00 C ATOM 0 H THR A 150 7.098 -7.376 7.796 1.00 0.00 H new ATOM 0 HA THR A 150 5.706 -6.092 5.518 1.00 0.00 H new ATOM 0 HB THR A 150 4.168 -8.184 6.092 1.00 0.00 H new ATOM 0 HG1 THR A 150 5.439 -9.933 6.882 1.00 0.00 H new ATOM 0 HG21 THR A 150 5.418 -9.569 4.473 1.00 0.00 H new ATOM 0 HG22 THR A 150 5.304 -7.875 3.941 1.00 0.00 H new ATOM 0 HG23 THR A 150 6.821 -8.487 4.640 1.00 0.00 H new ATOM 2360 N ASP A 151 5.076 -5.878 8.647 1.00 0.00 N ATOM 2361 CA ASP A 151 4.206 -5.331 9.672 1.00 0.00 C ATOM 2362 C ASP A 151 4.837 -4.064 10.229 1.00 0.00 C ATOM 2363 O ASP A 151 5.917 -4.104 10.827 1.00 0.00 O ATOM 2364 CB ASP A 151 3.825 -6.353 10.759 1.00 0.00 C ATOM 2365 CG ASP A 151 4.920 -6.603 11.797 1.00 0.00 C ATOM 2366 OD1 ASP A 151 4.721 -6.241 12.974 1.00 0.00 O ATOM 2367 OD2 ASP A 151 5.915 -7.299 11.472 1.00 0.00 O ATOM 0 H ASP A 151 6.024 -6.072 8.970 1.00 0.00 H new ATOM 0 HA ASP A 151 3.250 -5.072 9.216 1.00 0.00 H new ATOM 0 HB2 ASP A 151 2.928 -6.005 11.271 1.00 0.00 H new ATOM 0 HB3 ASP A 151 3.572 -7.299 10.280 1.00 0.00 H new ATOM 2372 N PHE A 152 4.193 -2.930 9.953 1.00 0.00 N ATOM 2373 CA PHE A 152 4.621 -1.617 10.411 1.00 0.00 C ATOM 2374 C PHE A 152 3.485 -0.595 10.300 1.00 0.00 C ATOM 2375 O PHE A 152 2.348 -0.961 10.006 1.00 0.00 O ATOM 2376 CB PHE A 152 5.916 -1.152 9.712 1.00 0.00 C ATOM 2377 CG PHE A 152 7.092 -0.966 10.662 1.00 0.00 C ATOM 2378 CD1 PHE A 152 6.910 -0.498 11.982 1.00 0.00 C ATOM 2379 CD2 PHE A 152 8.385 -1.315 10.235 1.00 0.00 C ATOM 2380 CE1 PHE A 152 7.979 -0.498 12.890 1.00 0.00 C ATOM 2381 CE2 PHE A 152 9.462 -1.291 11.140 1.00 0.00 C ATOM 2382 CZ PHE A 152 9.254 -0.913 12.477 1.00 0.00 C ATOM 0 H PHE A 152 3.341 -2.903 9.392 1.00 0.00 H new ATOM 0 HA PHE A 152 4.869 -1.700 11.469 1.00 0.00 H new ATOM 0 HB2 PHE A 152 6.189 -1.881 8.949 1.00 0.00 H new ATOM 0 HB3 PHE A 152 5.723 -0.210 9.198 1.00 0.00 H new ATOM 0 HD1 PHE A 152 5.941 -0.138 12.294 1.00 0.00 H new ATOM 0 HD2 PHE A 152 8.552 -1.603 9.208 1.00 0.00 H new ATOM 0 HE1 PHE A 152 7.820 -0.178 13.909 1.00 0.00 H new ATOM 0 HE2 PHE A 152 10.452 -1.564 10.806 1.00 0.00 H new ATOM 0 HZ PHE A 152 10.071 -0.942 13.183 1.00 0.00 H new ATOM 2392 N GLY A 153 3.761 0.672 10.623 1.00 0.00 N ATOM 2393 CA GLY A 153 2.797 1.760 10.574 1.00 0.00 C ATOM 2394 C GLY A 153 2.904 2.584 9.293 1.00 0.00 C ATOM 2395 O GLY A 153 3.529 2.165 8.314 1.00 0.00 O ATOM 0 H GLY A 153 4.686 0.970 10.933 1.00 0.00 H new ATOM 0 HA2 GLY A 153 1.790 1.352 10.655 1.00 0.00 H new ATOM 0 HA3 GLY A 153 2.947 2.412 11.434 1.00 0.00 H new ATOM 2399 N LEU A 154 2.212 3.728 9.279 1.00 0.00 N ATOM 2400 CA LEU A 154 2.169 4.689 8.183 1.00 0.00 C ATOM 2401 C LEU A 154 2.062 6.077 8.817 1.00 0.00 C ATOM 2402 O LEU A 154 1.180 6.316 9.653 1.00 0.00 O ATOM 2403 CB LEU A 154 0.927 4.466 7.289 1.00 0.00 C ATOM 2404 CG LEU A 154 1.214 4.344 5.787 1.00 0.00 C ATOM 2405 CD1 LEU A 154 1.760 2.958 5.431 1.00 0.00 C ATOM 2406 CD2 LEU A 154 -0.073 4.588 4.998 1.00 0.00 C ATOM 0 H LEU A 154 1.641 4.019 10.072 1.00 0.00 H new ATOM 0 HA LEU A 154 3.059 4.579 7.563 1.00 0.00 H new ATOM 0 HB2 LEU A 154 0.419 3.560 7.620 1.00 0.00 H new ATOM 0 HB3 LEU A 154 0.235 5.294 7.444 1.00 0.00 H new ATOM 0 HG LEU A 154 1.966 5.089 5.529 1.00 0.00 H new ATOM 0 HD11 LEU A 154 1.952 2.907 4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 154 2.688 2.782 5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 154 1.029 2.197 5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 154 0.132 4.501 3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -0.821 3.849 5.285 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -0.449 5.588 5.215 1.00 0.00 H new ATOM 2418 N THR A 155 2.898 7.025 8.410 1.00 0.00 N ATOM 2419 CA THR A 155 2.876 8.389 8.920 1.00 0.00 C ATOM 2420 C THR A 155 1.932 9.184 8.014 1.00 0.00 C ATOM 2421 O THR A 155 2.285 10.212 7.446 1.00 0.00 O ATOM 2422 CB THR A 155 4.311 8.920 9.018 1.00 0.00 C ATOM 2423 OG1 THR A 155 5.038 7.989 9.793 1.00 0.00 O ATOM 2424 CG2 THR A 155 4.439 10.256 9.752 1.00 0.00 C ATOM 0 H THR A 155 3.620 6.865 7.707 1.00 0.00 H new ATOM 0 HA THR A 155 2.489 8.471 9.936 1.00 0.00 H new ATOM 0 HB THR A 155 4.668 9.060 7.998 1.00 0.00 H new ATOM 0 HG1 THR A 155 5.394 8.434 10.590 1.00 0.00 H new ATOM 0 HG21 THR A 155 5.486 10.559 9.776 1.00 0.00 H new ATOM 0 HG22 THR A 155 3.854 11.014 9.232 1.00 0.00 H new ATOM 0 HG23 THR A 155 4.069 10.148 10.772 1.00 0.00 H new ATOM 2432 N MET A 156 0.734 8.630 7.835 1.00 0.00 N ATOM 2433 CA MET A 156 -0.344 9.193 7.053 1.00 0.00 C ATOM 2434 C MET A 156 -0.819 10.425 7.816 1.00 0.00 C ATOM 2435 O MET A 156 -0.881 10.398 9.054 1.00 0.00 O ATOM 2436 CB MET A 156 -1.458 8.159 6.856 1.00 0.00 C ATOM 2437 CG MET A 156 -2.062 7.622 8.147 1.00 0.00 C ATOM 2438 SD MET A 156 -2.687 5.925 8.102 1.00 0.00 S ATOM 2439 CE MET A 156 -3.656 6.040 9.622 1.00 0.00 C ATOM 0 H MET A 156 0.486 7.734 8.255 1.00 0.00 H new ATOM 0 HA MET A 156 -0.022 9.474 6.050 1.00 0.00 H new ATOM 0 HB2 MET A 156 -2.251 8.609 6.259 1.00 0.00 H new ATOM 0 HB3 MET A 156 -1.061 7.322 6.281 1.00 0.00 H new ATOM 0 HG2 MET A 156 -1.306 7.686 8.930 1.00 0.00 H new ATOM 0 HG3 MET A 156 -2.881 8.279 8.440 1.00 0.00 H new ATOM 0 HE1 MET A 156 -4.150 5.087 9.811 1.00 0.00 H new ATOM 0 HE2 MET A 156 -2.997 6.279 10.456 1.00 0.00 H new ATOM 0 HE3 MET A 156 -4.407 6.823 9.517 1.00 0.00 H new ATOM 2449 N LEU A 157 -1.086 11.495 7.083 1.00 0.00 N ATOM 2450 CA LEU A 157 -1.548 12.792 7.556 1.00 0.00 C ATOM 2451 C LEU A 157 -2.867 13.112 6.844 1.00 0.00 C ATOM 2452 O LEU A 157 -3.272 12.397 5.925 1.00 0.00 O ATOM 2453 CB LEU A 157 -0.498 13.896 7.307 1.00 0.00 C ATOM 2454 CG LEU A 157 0.944 13.601 7.774 1.00 0.00 C ATOM 2455 CD1 LEU A 157 1.840 14.796 7.440 1.00 0.00 C ATOM 2456 CD2 LEU A 157 1.066 13.289 9.276 1.00 0.00 C ATOM 0 H LEU A 157 -0.978 11.479 6.069 1.00 0.00 H new ATOM 0 HA LEU A 157 -1.703 12.755 8.634 1.00 0.00 H new ATOM 0 HB2 LEU A 157 -0.473 14.106 6.238 1.00 0.00 H new ATOM 0 HB3 LEU A 157 -0.837 14.806 7.803 1.00 0.00 H new ATOM 0 HG LEU A 157 1.258 12.703 7.242 1.00 0.00 H new ATOM 0 HD11 LEU A 157 2.859 14.590 7.769 1.00 0.00 H new ATOM 0 HD12 LEU A 157 1.834 14.966 6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 157 1.467 15.684 7.950 1.00 0.00 H new ATOM 0 HD21 LEU A 157 2.109 13.093 9.523 1.00 0.00 H new ATOM 0 HD22 LEU A 157 0.710 14.141 9.855 1.00 0.00 H new ATOM 0 HD23 LEU A 157 0.466 12.411 9.515 1.00 0.00 H new ATOM 2468 N PHE A 158 -3.571 14.158 7.268 1.00 0.00 N ATOM 2469 CA PHE A 158 -4.843 14.577 6.688 1.00 0.00 C ATOM 2470 C PHE A 158 -5.079 16.037 7.036 1.00 0.00 C ATOM 2471 O PHE A 158 -5.828 16.698 6.277 1.00 0.00 O ATOM 2472 CB PHE A 158 -5.995 13.679 7.175 1.00 0.00 C ATOM 2473 CG PHE A 158 -6.311 13.663 8.671 1.00 0.00 C ATOM 2474 CD1 PHE A 158 -7.575 14.089 9.131 1.00 0.00 C ATOM 2475 CD2 PHE A 158 -5.392 13.137 9.605 1.00 0.00 C ATOM 2476 CE1 PHE A 158 -7.915 13.979 10.493 1.00 0.00 C ATOM 2477 CE2 PHE A 158 -5.724 13.054 10.970 1.00 0.00 C ATOM 2478 CZ PHE A 158 -6.989 13.467 11.422 1.00 0.00 C ATOM 0 H PHE A 158 -3.266 14.750 8.041 1.00 0.00 H new ATOM 0 HA PHE A 158 -4.806 14.473 5.604 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -6.899 13.980 6.646 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -5.773 12.656 6.870 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -8.288 14.503 8.433 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -4.424 12.795 9.268 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -8.894 14.290 10.828 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -5.002 12.670 11.675 1.00 0.00 H new ATOM 0 HZ PHE A 158 -7.247 13.393 12.468 1.00 0.00 H new TER 2488 PHE A 158