USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 724 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 7 ASN : amide:sc= -3.09 K(o=-13,f=-14!) USER MOD Set 1.2: A 10 THR OG1 : rot -61:sc= -1.5 USER MOD Set 1.3: A 115 TYR OH : rot -26:sc= 1.29 USER MOD Set 1.4: A 116 ASN : amide:sc= -3.04 X(o=-13,f=-14!) USER MOD Set 1.5: A 119 HIS : no HE2:sc= -7.09! C(o=-13!,f=-20!) USER MOD Set 2.1: A 5 TYR OH : rot 52:sc= 0.162! USER MOD Set 2.2: A 57 TYR OH : rot -51:sc= 1.04 USER MOD Single : A 2 THR OG1 : rot 87:sc= 0.114 USER MOD Single : A 8 TYR OH : rot 180:sc= -1.75 USER MOD Single : A 14 GLN : amide:sc= -0.279 K(o=-0.28,f=-0.8) USER MOD Single : A 18 MET CE :methyl 141:sc= -0.781 (180deg=-4.32!) USER MOD Single : A 26 LYS NZ :NH3+ 148:sc= 0.125 (180deg=-0.608) USER MOD Single : A 37 TYR OH : rot 72:sc= 1.15 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -159:sc= -8.49! (180deg=-10.2!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 73 SER OG : rot 56:sc= -6.29! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 156:sc= -0.212 (180deg=-0.766) USER MOD Single : A 89 SER OG : rot 45:sc= 0.00202 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 16:sc= -5.05! USER MOD Single : A 102 CYS SG : rot 180:sc= -0.42 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.131 7.023 30.109 1.00 3.92 N ATOM 2 CA PRO A 1 1.950 7.274 29.238 1.00 3.44 C ATOM 3 C PRO A 1 1.274 8.593 29.622 1.00 3.50 C ATOM 4 O PRO A 1 0.220 8.609 30.225 1.00 4.94 O ATOM 5 CB PRO A 1 1.027 6.093 29.521 1.00 2.00 C ATOM 6 CG PRO A 1 1.410 5.632 30.889 1.00 4.99 C ATOM 7 CD PRO A 1 2.875 5.934 31.057 1.00 3.38 C ATOM 0 H2 PRO A 1 3.365 7.874 30.621 1.00 3.92 H new ATOM 0 H3 PRO A 1 3.939 6.790 29.531 1.00 3.92 H new ATOM 0 HA PRO A 1 2.212 7.358 28.183 1.00 3.44 H new ATOM 0 HB2 PRO A 1 -0.021 6.391 29.482 1.00 2.00 H new ATOM 0 HB3 PRO A 1 1.160 5.301 28.784 1.00 2.00 H new ATOM 0 HG2 PRO A 1 0.820 6.145 31.649 1.00 4.99 H new ATOM 0 HG3 PRO A 1 1.220 4.565 31.004 1.00 4.99 H new ATOM 0 HD2 PRO A 1 3.105 6.234 32.079 1.00 3.38 H new ATOM 0 HD3 PRO A 1 3.489 5.061 30.836 1.00 3.38 H new ATOM 17 N THR A 2 1.873 9.699 29.276 1.00 3.08 N ATOM 18 CA THR A 2 1.264 11.016 29.621 1.00 2.08 C ATOM 19 C THR A 2 0.825 11.745 28.347 1.00 2.52 C ATOM 20 O THR A 2 1.628 12.324 27.643 1.00 2.28 O ATOM 21 CB THR A 2 2.376 11.792 30.330 1.00 3.47 C ATOM 22 OG1 THR A 2 3.070 10.921 31.212 1.00 3.73 O ATOM 23 CG2 THR A 2 1.766 12.948 31.125 1.00 3.09 C ATOM 0 H THR A 2 2.757 9.749 28.770 1.00 3.08 H new ATOM 0 HA THR A 2 0.378 10.912 30.247 1.00 2.08 H new ATOM 0 HB THR A 2 3.071 12.190 29.591 1.00 3.47 H new ATOM 0 HG1 THR A 2 3.783 10.460 30.723 1.00 3.73 H new ATOM 0 HG21 THR A 2 2.558 13.500 31.630 1.00 3.09 H new ATOM 0 HG22 THR A 2 1.234 13.615 30.447 1.00 3.09 H new ATOM 0 HG23 THR A 2 1.070 12.553 31.866 1.00 3.09 H new ATOM 31 N VAL A 3 -0.444 11.721 28.048 1.00 10.00 N ATOM 32 CA VAL A 3 -0.936 12.412 26.822 1.00 10.00 C ATOM 33 C VAL A 3 -1.756 13.646 27.207 1.00 10.00 C ATOM 34 O VAL A 3 -2.822 13.540 27.780 1.00 10.00 O ATOM 35 CB VAL A 3 -1.816 11.381 26.113 1.00 10.00 C ATOM 36 CG1 VAL A 3 -2.357 11.980 24.814 1.00 10.00 C ATOM 37 CG2 VAL A 3 -0.987 10.136 25.795 1.00 10.00 C ATOM 0 H VAL A 3 -1.163 11.253 28.600 1.00 10.00 H new ATOM 0 HA VAL A 3 -0.122 12.758 26.185 1.00 10.00 H new ATOM 0 HB VAL A 3 -2.649 11.107 26.761 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.984 11.246 24.308 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.948 12.867 25.041 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.525 12.254 24.166 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -1.614 9.401 25.290 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -0.154 10.409 25.147 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -0.602 9.709 26.721 1.00 10.00 H new ATOM 47 N GLU A 4 -1.266 14.816 26.902 1.00 10.00 N ATOM 48 CA GLU A 4 -2.016 16.057 27.257 1.00 10.00 C ATOM 49 C GLU A 4 -3.092 16.353 26.208 1.00 10.00 C ATOM 50 O GLU A 4 -2.801 16.559 25.048 1.00 10.00 O ATOM 51 CB GLU A 4 -0.962 17.164 27.266 1.00 50.00 C ATOM 52 CG GLU A 4 -1.453 18.327 28.131 1.00 50.00 C ATOM 53 CD GLU A 4 -0.255 19.147 28.612 1.00 50.00 C ATOM 54 OE1 GLU A 4 0.133 20.061 27.903 1.00 50.00 O ATOM 55 OE2 GLU A 4 0.253 18.847 29.680 1.00 50.00 O ATOM 0 H GLU A 4 -0.379 14.968 26.422 1.00 10.00 H new ATOM 0 HA GLU A 4 -2.528 15.967 28.215 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -0.019 16.780 27.655 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -0.771 17.508 26.249 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -2.133 18.958 27.559 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -2.014 17.947 28.985 1.00 50.00 H new ATOM 62 N TYR A 5 -4.335 16.382 26.611 1.00 10.00 N ATOM 63 CA TYR A 5 -5.426 16.671 25.636 1.00 10.00 C ATOM 64 C TYR A 5 -5.801 18.157 25.686 1.00 10.00 C ATOM 65 O TYR A 5 -5.894 18.749 26.743 1.00 10.00 O ATOM 66 CB TYR A 5 -6.604 15.803 26.083 1.00 10.00 C ATOM 67 CG TYR A 5 -7.020 16.191 27.483 1.00 10.00 C ATOM 68 CD1 TYR A 5 -7.858 17.294 27.683 1.00 10.00 C ATOM 69 CD2 TYR A 5 -6.570 15.445 28.579 1.00 10.00 C ATOM 70 CE1 TYR A 5 -8.248 17.651 28.980 1.00 50.00 C ATOM 71 CE2 TYR A 5 -6.959 15.802 29.875 1.00 50.00 C ATOM 72 CZ TYR A 5 -7.798 16.905 30.075 1.00 50.00 C ATOM 73 OH TYR A 5 -8.183 17.256 31.353 1.00 50.00 O ATOM 0 H TYR A 5 -4.641 16.219 27.570 1.00 10.00 H new ATOM 0 HA TYR A 5 -5.129 16.453 24.610 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -7.441 15.928 25.397 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -6.324 14.750 26.055 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -8.204 17.870 26.837 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -5.923 14.594 28.424 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -8.896 18.501 29.135 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -6.612 15.227 30.721 1.00 50.00 H new ATOM 0 HH TYR A 5 -9.158 17.346 31.388 1.00 50.00 H new ATOM 83 N LEU A 6 -6.015 18.761 24.549 1.00 10.00 N ATOM 84 CA LEU A 6 -6.383 20.208 24.525 1.00 10.00 C ATOM 85 C LEU A 6 -7.652 20.413 23.692 1.00 10.00 C ATOM 86 O LEU A 6 -7.766 19.920 22.588 1.00 10.00 O ATOM 87 CB LEU A 6 -5.192 20.908 23.868 1.00 12.50 C ATOM 88 CG LEU A 6 -4.949 22.259 24.545 1.00 12.50 C ATOM 89 CD1 LEU A 6 -3.974 23.083 23.703 1.00 50.00 C ATOM 90 CD2 LEU A 6 -6.274 23.015 24.672 1.00 50.00 C ATOM 0 H LEU A 6 -5.951 18.315 23.634 1.00 10.00 H new ATOM 0 HA LEU A 6 -6.587 20.601 25.521 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -4.302 20.285 23.949 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -5.384 21.053 22.805 1.00 12.50 H new ATOM 0 HG LEU A 6 -4.527 22.096 25.537 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -3.801 24.045 24.185 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -3.029 22.547 23.612 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -4.396 23.245 22.711 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -6.099 23.977 25.154 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -6.697 23.178 23.681 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -6.971 22.430 25.272 1.00 50.00 H new ATOM 102 N ASN A 7 -8.607 21.137 24.211 1.00 10.00 N ATOM 103 CA ASN A 7 -9.865 21.367 23.442 1.00 10.00 C ATOM 104 C ASN A 7 -9.568 22.170 22.173 1.00 10.00 C ATOM 105 O ASN A 7 -9.163 23.314 22.230 1.00 10.00 O ATOM 106 CB ASN A 7 -10.766 22.165 24.383 1.00 10.00 C ATOM 107 CG ASN A 7 -12.166 22.276 23.776 1.00 10.00 C ATOM 108 OD1 ASN A 7 -12.592 21.407 23.042 1.00 12.50 O ATOM 109 ND2 ASN A 7 -12.905 23.317 24.052 1.00 12.50 N ATOM 0 H ASN A 7 -8.571 21.578 25.130 1.00 10.00 H new ATOM 0 HA ASN A 7 -10.332 20.434 23.126 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -10.817 21.676 25.356 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -10.349 23.159 24.547 1.00 10.00 H new ATOM 0 HD21 ASN A 7 -13.839 23.400 23.651 1.00 12.50 H new ATOM 0 HD22 ASN A 7 -12.548 24.047 24.668 1.00 12.50 H new ATOM 116 N TYR A 8 -9.771 21.579 21.028 1.00 50.00 N ATOM 117 CA TYR A 8 -9.503 22.306 19.755 1.00 50.00 C ATOM 118 C TYR A 8 -10.349 23.579 19.689 1.00 50.00 C ATOM 119 O TYR A 8 -10.068 24.484 18.929 1.00 50.00 O ATOM 120 CB TYR A 8 -9.909 21.329 18.651 1.00 50.00 C ATOM 121 CG TYR A 8 -9.882 22.034 17.316 1.00 50.00 C ATOM 122 CD1 TYR A 8 -10.929 22.891 16.956 1.00 50.00 C ATOM 123 CD2 TYR A 8 -8.812 21.829 16.437 1.00 50.00 C ATOM 124 CE1 TYR A 8 -10.906 23.543 15.718 1.00 50.00 C ATOM 125 CE2 TYR A 8 -8.789 22.482 15.198 1.00 50.00 C ATOM 126 CZ TYR A 8 -9.836 23.338 14.839 1.00 50.00 C ATOM 127 OH TYR A 8 -9.813 23.982 13.619 1.00 50.00 O ATOM 0 H TYR A 8 -10.111 20.624 20.919 1.00 50.00 H new ATOM 0 HA TYR A 8 -8.461 22.613 19.662 1.00 50.00 H new ATOM 0 HB2 TYR A 8 -9.229 20.477 18.637 1.00 50.00 H new ATOM 0 HB3 TYR A 8 -10.907 20.938 18.847 1.00 50.00 H new ATOM 0 HD1 TYR A 8 -11.755 23.049 17.634 1.00 50.00 H new ATOM 0 HD2 TYR A 8 -8.004 21.168 16.714 1.00 50.00 H new ATOM 0 HE1 TYR A 8 -11.714 24.204 15.441 1.00 50.00 H new ATOM 0 HE2 TYR A 8 -7.963 22.325 14.520 1.00 50.00 H new ATOM 0 HH TYR A 8 -9.001 23.731 13.132 1.00 50.00 H new ATOM 137 N GLU A 9 -11.382 23.657 20.484 1.00 25.00 N ATOM 138 CA GLU A 9 -12.238 24.876 20.469 1.00 25.00 C ATOM 139 C GLU A 9 -11.506 26.034 21.151 1.00 25.00 C ATOM 140 O GLU A 9 -11.532 27.157 20.687 1.00 25.00 O ATOM 141 CB GLU A 9 -13.493 24.495 21.253 1.00 50.00 C ATOM 142 CG GLU A 9 -14.696 24.475 20.307 1.00 50.00 C ATOM 143 CD GLU A 9 -15.977 24.736 21.101 1.00 50.00 C ATOM 144 OE1 GLU A 9 -15.875 24.965 22.296 1.00 50.00 O ATOM 145 OE2 GLU A 9 -17.039 24.703 20.501 1.00 50.00 O ATOM 0 H GLU A 9 -11.669 22.931 21.141 1.00 25.00 H new ATOM 0 HA GLU A 9 -12.480 25.201 19.457 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -13.363 23.516 21.715 1.00 50.00 H new ATOM 0 HB3 GLU A 9 -13.662 25.209 22.059 1.00 50.00 H new ATOM 0 HG2 GLU A 9 -14.575 25.233 19.533 1.00 50.00 H new ATOM 0 HG3 GLU A 9 -14.759 23.511 19.803 1.00 50.00 H new ATOM 152 N THR A 10 -10.843 25.768 22.245 1.00 50.00 N ATOM 153 CA THR A 10 -10.103 26.856 22.944 1.00 50.00 C ATOM 154 C THR A 10 -9.093 27.485 21.984 1.00 50.00 C ATOM 155 O THR A 10 -8.813 28.666 22.044 1.00 50.00 O ATOM 156 CB THR A 10 -9.384 26.171 24.110 1.00 50.00 C ATOM 157 OG1 THR A 10 -10.335 25.522 24.949 1.00 50.00 O ATOM 158 CG2 THR A 10 -8.616 27.216 24.919 1.00 50.00 C ATOM 0 H THR A 10 -10.782 24.848 22.682 1.00 50.00 H new ATOM 0 HA THR A 10 -10.761 27.652 23.293 1.00 50.00 H new ATOM 0 HB THR A 10 -8.688 25.430 23.718 1.00 50.00 H new ATOM 0 HG1 THR A 10 -10.955 26.186 25.316 1.00 50.00 H new ATOM 0 HG21 THR A 10 -8.104 26.729 25.749 1.00 50.00 H new ATOM 0 HG22 THR A 10 -7.883 27.706 24.278 1.00 50.00 H new ATOM 0 HG23 THR A 10 -9.312 27.959 25.308 1.00 50.00 H new ATOM 166 N LEU A 11 -8.550 26.703 21.090 1.00 50.00 N ATOM 167 CA LEU A 11 -7.566 27.253 20.117 1.00 50.00 C ATOM 168 C LEU A 11 -8.295 28.107 19.076 1.00 50.00 C ATOM 169 O LEU A 11 -7.827 29.155 18.679 1.00 50.00 O ATOM 170 CB LEU A 11 -6.930 26.027 19.461 1.00 50.00 C ATOM 171 CG LEU A 11 -6.101 26.466 18.253 1.00 50.00 C ATOM 172 CD1 LEU A 11 -5.191 27.629 18.653 1.00 50.00 C ATOM 173 CD2 LEU A 11 -5.245 25.293 17.768 1.00 50.00 C ATOM 0 H LEU A 11 -8.746 25.707 20.992 1.00 50.00 H new ATOM 0 HA LEU A 11 -6.818 27.889 20.590 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -6.298 25.505 20.179 1.00 50.00 H new ATOM 0 HB3 LEU A 11 -7.704 25.326 19.149 1.00 50.00 H new ATOM 0 HG LEU A 11 -6.768 26.785 17.452 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -4.600 27.942 17.792 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -5.799 28.465 18.998 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -4.524 27.310 19.454 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -4.654 25.605 16.907 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -4.578 24.973 18.569 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -5.892 24.464 17.482 1.00 50.00 H new ATOM 185 N ASP A 12 -9.444 27.665 18.639 1.00 50.00 N ATOM 186 CA ASP A 12 -10.214 28.450 17.632 1.00 50.00 C ATOM 187 C ASP A 12 -10.964 29.592 18.321 1.00 50.00 C ATOM 188 O ASP A 12 -11.001 30.706 17.837 1.00 50.00 O ATOM 189 CB ASP A 12 -11.198 27.452 17.022 1.00 50.00 C ATOM 190 CG ASP A 12 -12.212 28.201 16.153 1.00 50.00 C ATOM 191 OD1 ASP A 12 -12.053 29.400 15.992 1.00 50.00 O ATOM 192 OD2 ASP A 12 -13.129 27.561 15.663 1.00 50.00 O ATOM 0 H ASP A 12 -9.883 26.793 18.936 1.00 50.00 H new ATOM 0 HA ASP A 12 -9.571 28.901 16.876 1.00 50.00 H new ATOM 0 HB2 ASP A 12 -10.662 26.717 16.422 1.00 50.00 H new ATOM 0 HB3 ASP A 12 -11.713 26.905 17.811 1.00 50.00 H new ATOM 197 N ASP A 13 -11.558 29.322 19.451 1.00 50.00 N ATOM 198 CA ASP A 13 -12.305 30.391 20.177 1.00 50.00 C ATOM 199 C ASP A 13 -11.338 31.479 20.652 1.00 50.00 C ATOM 200 O ASP A 13 -11.633 32.656 20.591 1.00 50.00 O ATOM 201 CB ASP A 13 -12.945 29.683 21.371 1.00 50.00 C ATOM 202 CG ASP A 13 -14.163 30.478 21.846 1.00 50.00 C ATOM 203 OD1 ASP A 13 -14.000 31.649 22.150 1.00 50.00 O ATOM 204 OD2 ASP A 13 -15.238 29.904 21.896 1.00 50.00 O ATOM 0 H ASP A 13 -11.559 28.408 19.904 1.00 50.00 H new ATOM 0 HA ASP A 13 -13.048 30.879 19.547 1.00 50.00 H new ATOM 0 HB2 ASP A 13 -13.244 28.673 21.090 1.00 50.00 H new ATOM 0 HB3 ASP A 13 -12.222 29.588 22.181 1.00 50.00 H new ATOM 209 N GLN A 14 -10.183 31.093 21.122 1.00 50.00 N ATOM 210 CA GLN A 14 -9.196 32.104 21.602 1.00 50.00 C ATOM 211 C GLN A 14 -8.411 32.676 20.417 1.00 50.00 C ATOM 212 O GLN A 14 -8.024 33.828 20.415 1.00 50.00 O ATOM 213 CB GLN A 14 -8.265 31.335 22.540 1.00 50.00 C ATOM 214 CG GLN A 14 -7.592 32.313 23.505 1.00 50.00 C ATOM 215 CD GLN A 14 -8.625 32.841 24.503 1.00 50.00 C ATOM 216 OE1 GLN A 14 -9.224 33.875 24.285 1.00 50.00 O ATOM 217 NE2 GLN A 14 -8.861 32.169 25.597 1.00 50.00 N ATOM 0 H GLN A 14 -9.880 30.122 21.195 1.00 50.00 H new ATOM 0 HA GLN A 14 -9.675 32.945 22.104 1.00 50.00 H new ATOM 0 HB2 GLN A 14 -8.829 30.588 23.098 1.00 50.00 H new ATOM 0 HB3 GLN A 14 -7.511 30.800 21.963 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -6.780 31.816 24.035 1.00 50.00 H new ATOM 0 HG3 GLN A 14 -7.151 33.141 22.951 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -8.358 31.301 25.781 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -9.548 32.512 26.268 1.00 50.00 H new ATOM 226 N GLY A 15 -8.175 31.880 19.409 1.00 50.00 N ATOM 227 CA GLY A 15 -7.418 32.380 18.226 1.00 50.00 C ATOM 228 C GLY A 15 -5.928 32.446 18.563 1.00 50.00 C ATOM 229 O GLY A 15 -5.263 33.426 18.288 1.00 50.00 O ATOM 0 H GLY A 15 -8.473 30.906 19.354 1.00 50.00 H new ATOM 0 HA2 GLY A 15 -7.580 31.721 17.373 1.00 50.00 H new ATOM 0 HA3 GLY A 15 -7.781 33.367 17.940 1.00 50.00 H new ATOM 233 N TRP A 16 -5.397 31.411 19.154 1.00 50.00 N ATOM 234 CA TRP A 16 -3.947 31.417 19.506 1.00 50.00 C ATOM 235 C TRP A 16 -3.179 30.444 18.611 1.00 50.00 C ATOM 236 O TRP A 16 -3.671 29.995 17.594 1.00 50.00 O ATOM 237 CB TRP A 16 -3.889 30.962 20.964 1.00 50.00 C ATOM 238 CG TRP A 16 -3.411 32.094 21.815 1.00 50.00 C ATOM 239 CD1 TRP A 16 -3.857 32.368 23.061 1.00 50.00 C ATOM 240 CD2 TRP A 16 -2.407 33.105 21.507 1.00 50.00 C ATOM 241 NE1 TRP A 16 -3.194 33.484 23.539 1.00 50.00 N ATOM 242 CE2 TRP A 16 -2.291 33.974 22.617 1.00 50.00 C ATOM 243 CE3 TRP A 16 -1.597 33.350 20.384 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -1.401 35.049 22.614 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -0.699 34.432 20.377 1.00 50.00 C ATOM 246 CH2 TRP A 16 -0.602 35.278 21.490 1.00 50.00 C ATOM 0 H TRP A 16 -5.903 30.562 19.408 1.00 50.00 H new ATOM 0 HA TRP A 16 -3.495 32.399 19.367 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -4.875 30.634 21.294 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -3.219 30.108 21.064 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -4.609 31.807 23.596 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -3.353 33.894 24.459 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -1.665 32.703 19.522 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -1.330 35.699 23.474 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -0.081 34.612 19.510 1.00 50.00 H new ATOM 0 HH2 TRP A 16 0.090 36.107 21.479 1.00 50.00 H new ATOM 257 N ASP A 17 -1.974 30.120 18.983 1.00 50.00 N ATOM 258 CA ASP A 17 -1.163 29.180 18.154 1.00 50.00 C ATOM 259 C ASP A 17 -0.752 27.958 18.981 1.00 50.00 C ATOM 260 O ASP A 17 -0.541 28.045 20.174 1.00 50.00 O ATOM 261 CB ASP A 17 0.070 29.985 17.740 1.00 50.00 C ATOM 262 CG ASP A 17 0.099 30.136 16.218 1.00 50.00 C ATOM 263 OD1 ASP A 17 -0.886 29.788 15.588 1.00 50.00 O ATOM 264 OD2 ASP A 17 1.107 30.599 15.709 1.00 50.00 O ATOM 0 H ASP A 17 -1.513 30.464 19.825 1.00 50.00 H new ATOM 0 HA ASP A 17 -1.717 28.806 17.293 1.00 50.00 H new ATOM 0 HB2 ASP A 17 0.051 30.967 18.212 1.00 50.00 H new ATOM 0 HB3 ASP A 17 0.975 29.484 18.083 1.00 50.00 H new ATOM 269 N MET A 18 -0.635 26.819 18.353 1.00 50.00 N ATOM 270 CA MET A 18 -0.235 25.592 19.100 1.00 50.00 C ATOM 271 C MET A 18 1.277 25.592 19.341 1.00 50.00 C ATOM 272 O MET A 18 1.754 25.115 20.352 1.00 50.00 O ATOM 273 CB MET A 18 -0.632 24.426 18.193 1.00 50.00 C ATOM 274 CG MET A 18 -2.156 24.306 18.153 1.00 50.00 C ATOM 275 SD MET A 18 -2.621 22.560 18.062 1.00 50.00 S ATOM 276 CE MET A 18 -2.360 22.347 16.285 1.00 50.00 C ATOM 0 H MET A 18 -0.799 26.685 17.355 1.00 50.00 H new ATOM 0 HA MET A 18 -0.715 25.529 20.077 1.00 50.00 H new ATOM 0 HB2 MET A 18 -0.243 24.585 17.187 1.00 50.00 H new ATOM 0 HB3 MET A 18 -0.193 23.499 18.562 1.00 50.00 H new ATOM 0 HG2 MET A 18 -2.591 24.763 19.042 1.00 50.00 H new ATOM 0 HG3 MET A 18 -2.551 24.844 17.291 1.00 50.00 H new ATOM 0 HE1 MET A 18 -1.915 21.370 16.097 1.00 50.00 H new ATOM 0 HE2 MET A 18 -3.316 22.416 15.766 1.00 50.00 H new ATOM 0 HE3 MET A 18 -1.692 23.127 15.919 1.00 50.00 H new ATOM 286 N ASP A 19 2.032 26.124 18.421 1.00 50.00 N ATOM 287 CA ASP A 19 3.513 26.155 18.595 1.00 50.00 C ATOM 288 C ASP A 19 3.933 27.433 19.328 1.00 50.00 C ATOM 289 O ASP A 19 4.797 27.415 20.182 1.00 50.00 O ATOM 290 CB ASP A 19 4.079 26.143 17.175 1.00 50.00 C ATOM 291 CG ASP A 19 3.562 27.365 16.412 1.00 50.00 C ATOM 292 OD1 ASP A 19 2.480 27.827 16.735 1.00 50.00 O ATOM 293 OD2 ASP A 19 4.258 27.818 15.518 1.00 50.00 O ATOM 0 H ASP A 19 1.688 26.539 17.555 1.00 50.00 H new ATOM 0 HA ASP A 19 3.877 25.315 19.187 1.00 50.00 H new ATOM 0 HB2 ASP A 19 5.169 26.154 17.206 1.00 50.00 H new ATOM 0 HB3 ASP A 19 3.784 25.228 16.662 1.00 50.00 H new ATOM 298 N ASP A 20 3.328 28.541 18.999 1.00 50.00 N ATOM 299 CA ASP A 20 3.693 29.819 19.676 1.00 50.00 C ATOM 300 C ASP A 20 3.027 29.898 21.053 1.00 50.00 C ATOM 301 O ASP A 20 3.634 29.602 22.063 1.00 50.00 O ATOM 302 CB ASP A 20 3.160 30.918 18.757 1.00 50.00 C ATOM 303 CG ASP A 20 4.335 31.682 18.141 1.00 50.00 C ATOM 304 OD1 ASP A 20 5.256 31.034 17.672 1.00 50.00 O ATOM 305 OD2 ASP A 20 4.293 32.901 18.149 1.00 50.00 O ATOM 0 H ASP A 20 2.597 28.618 18.291 1.00 50.00 H new ATOM 0 HA ASP A 20 4.767 29.909 19.839 1.00 50.00 H new ATOM 0 HB2 ASP A 20 2.543 30.482 17.971 1.00 50.00 H new ATOM 0 HB3 ASP A 20 2.523 31.601 19.320 1.00 50.00 H new ATOM 310 N ASP A 21 1.785 30.297 21.102 1.00 50.00 N ATOM 311 CA ASP A 21 1.083 30.396 22.414 1.00 50.00 C ATOM 312 C ASP A 21 1.191 29.075 23.177 1.00 50.00 C ATOM 313 O ASP A 21 1.008 29.024 24.377 1.00 50.00 O ATOM 314 CB ASP A 21 -0.375 30.693 22.066 1.00 50.00 C ATOM 315 CG ASP A 21 -1.079 31.283 23.290 1.00 50.00 C ATOM 316 OD1 ASP A 21 -0.659 32.336 23.741 1.00 50.00 O ATOM 317 OD2 ASP A 21 -2.027 30.671 23.757 1.00 50.00 O ATOM 0 H ASP A 21 1.226 30.559 20.290 1.00 50.00 H new ATOM 0 HA ASP A 21 1.516 31.167 23.052 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -0.426 31.392 21.231 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -0.878 29.780 21.748 1.00 50.00 H new ATOM 322 N ASP A 22 1.486 28.005 22.492 1.00 50.00 N ATOM 323 CA ASP A 22 1.602 26.688 23.182 1.00 50.00 C ATOM 324 C ASP A 22 0.465 26.522 24.194 1.00 50.00 C ATOM 325 O ASP A 22 0.694 26.314 25.368 1.00 50.00 O ATOM 326 CB ASP A 22 2.954 26.730 23.894 1.00 50.00 C ATOM 327 CG ASP A 22 3.767 25.490 23.520 1.00 50.00 C ATOM 328 OD1 ASP A 22 3.405 24.413 23.962 1.00 50.00 O ATOM 329 OD2 ASP A 22 4.738 25.639 22.795 1.00 50.00 O ATOM 0 H ASP A 22 1.652 27.985 21.486 1.00 50.00 H new ATOM 0 HA ASP A 22 1.535 25.850 22.488 1.00 50.00 H new ATOM 0 HB2 ASP A 22 3.497 27.632 23.613 1.00 50.00 H new ATOM 0 HB3 ASP A 22 2.807 26.770 24.973 1.00 50.00 H new ATOM 334 N LEU A 23 -0.759 26.620 23.742 1.00 50.00 N ATOM 335 CA LEU A 23 -1.919 26.473 24.673 1.00 50.00 C ATOM 336 C LEU A 23 -1.651 25.363 25.692 1.00 50.00 C ATOM 337 O LEU A 23 -2.080 25.431 26.826 1.00 50.00 O ATOM 338 CB LEU A 23 -3.101 26.102 23.776 1.00 50.00 C ATOM 339 CG LEU A 23 -3.631 27.358 23.083 1.00 50.00 C ATOM 340 CD1 LEU A 23 -3.735 27.104 21.578 1.00 50.00 C ATOM 341 CD2 LEU A 23 -5.015 27.702 23.637 1.00 50.00 C ATOM 0 H LEU A 23 -1.006 26.796 22.768 1.00 50.00 H new ATOM 0 HA LEU A 23 -2.106 27.384 25.242 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -2.790 25.368 23.033 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -3.891 25.641 24.369 1.00 50.00 H new ATOM 0 HG LEU A 23 -2.949 28.188 23.267 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -4.113 27.999 21.083 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -2.750 26.859 21.181 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -4.417 26.273 21.395 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -5.392 28.597 23.143 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -5.697 26.872 23.454 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -4.943 27.883 24.710 1.00 50.00 H new ATOM 353 N PHE A 24 -0.939 24.342 25.299 1.00 50.00 N ATOM 354 CA PHE A 24 -0.640 23.233 26.249 1.00 50.00 C ATOM 355 C PHE A 24 0.030 23.795 27.505 1.00 50.00 C ATOM 356 O PHE A 24 -0.039 23.216 28.571 1.00 50.00 O ATOM 357 CB PHE A 24 0.320 22.311 25.496 1.00 50.00 C ATOM 358 CG PHE A 24 -0.462 21.406 24.573 1.00 50.00 C ATOM 359 CD1 PHE A 24 -1.259 20.385 25.104 1.00 50.00 C ATOM 360 CD2 PHE A 24 -0.388 21.588 23.187 1.00 50.00 C ATOM 361 CE1 PHE A 24 -1.983 19.546 24.248 1.00 50.00 C ATOM 362 CE2 PHE A 24 -1.112 20.749 22.332 1.00 50.00 C ATOM 363 CZ PHE A 24 -1.909 19.727 22.862 1.00 50.00 C ATOM 0 H PHE A 24 -0.552 24.228 24.362 1.00 50.00 H new ATOM 0 HA PHE A 24 -1.538 22.705 26.570 1.00 50.00 H new ATOM 0 HB2 PHE A 24 1.033 22.903 24.922 1.00 50.00 H new ATOM 0 HB3 PHE A 24 0.897 21.715 26.203 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -1.315 20.244 26.173 1.00 50.00 H new ATOM 0 HD2 PHE A 24 0.227 22.375 22.778 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -2.599 18.759 24.657 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -1.056 20.890 21.263 1.00 50.00 H new ATOM 0 HZ PHE A 24 -2.466 19.079 22.202 1.00 50.00 H new ATOM 373 N GLU A 25 0.679 24.921 27.384 1.00 50.00 N ATOM 374 CA GLU A 25 1.355 25.525 28.570 1.00 50.00 C ATOM 375 C GLU A 25 0.588 26.761 29.044 1.00 50.00 C ATOM 376 O GLU A 25 0.387 26.963 30.226 1.00 50.00 O ATOM 377 CB GLU A 25 2.748 25.916 28.075 1.00 50.00 C ATOM 378 CG GLU A 25 3.800 25.080 28.807 1.00 50.00 C ATOM 379 CD GLU A 25 5.174 25.327 28.181 1.00 50.00 C ATOM 380 OE1 GLU A 25 5.417 26.444 27.755 1.00 50.00 O ATOM 381 OE2 GLU A 25 5.960 24.395 28.140 1.00 50.00 O ATOM 0 H GLU A 25 0.771 25.449 26.516 1.00 50.00 H new ATOM 0 HA GLU A 25 1.400 24.837 29.414 1.00 50.00 H new ATOM 0 HB2 GLU A 25 2.823 25.754 27.000 1.00 50.00 H new ATOM 0 HB3 GLU A 25 2.924 26.977 28.251 1.00 50.00 H new ATOM 0 HG2 GLU A 25 3.818 25.343 29.865 1.00 50.00 H new ATOM 0 HG3 GLU A 25 3.546 24.022 28.746 1.00 50.00 H new ATOM 388 N LYS A 26 0.159 27.592 28.134 1.00 50.00 N ATOM 389 CA LYS A 26 -0.594 28.815 28.536 1.00 50.00 C ATOM 390 C LYS A 26 -1.958 28.429 29.115 1.00 50.00 C ATOM 391 O LYS A 26 -2.560 29.175 29.861 1.00 50.00 O ATOM 392 CB LYS A 26 -0.764 29.618 27.246 1.00 50.00 C ATOM 393 CG LYS A 26 0.156 30.840 27.281 1.00 50.00 C ATOM 394 CD LYS A 26 1.588 30.411 26.956 1.00 50.00 C ATOM 395 CE LYS A 26 2.259 31.488 26.100 1.00 50.00 C ATOM 396 NZ LYS A 26 3.203 30.744 25.218 1.00 50.00 N ATOM 0 H LYS A 26 0.297 27.478 27.130 1.00 50.00 H new ATOM 0 HA LYS A 26 -0.074 29.387 29.305 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -0.527 28.995 26.383 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -1.801 29.934 27.135 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -0.184 31.585 26.561 1.00 50.00 H new ATOM 0 HG3 LYS A 26 0.120 31.308 28.265 1.00 50.00 H new ATOM 0 HD2 LYS A 26 2.152 30.259 27.876 1.00 50.00 H new ATOM 0 HD3 LYS A 26 1.583 29.459 26.425 1.00 50.00 H new ATOM 0 HE2 LYS A 26 1.525 32.042 25.515 1.00 50.00 H new ATOM 0 HE3 LYS A 26 2.786 32.214 26.720 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 3.286 31.236 24.305 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 4.138 30.696 25.672 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 2.845 29.780 25.061 1.00 50.00 H new ATOM 410 N ALA A 27 -2.448 27.266 28.780 1.00 50.00 N ATOM 411 CA ALA A 27 -3.771 26.834 29.314 1.00 50.00 C ATOM 412 C ALA A 27 -3.665 26.552 30.815 1.00 50.00 C ATOM 413 O ALA A 27 -4.635 26.638 31.542 1.00 50.00 O ATOM 414 CB ALA A 27 -4.109 25.554 28.549 1.00 50.00 C ATOM 0 H ALA A 27 -1.990 26.597 28.161 1.00 50.00 H new ATOM 0 HA ALA A 27 -4.539 27.597 29.187 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -5.073 25.172 28.886 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -4.158 25.770 27.482 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -3.338 24.806 28.733 1.00 50.00 H new ATOM 420 N ALA A 28 -2.495 26.217 31.285 1.00 50.00 N ATOM 421 CA ALA A 28 -2.330 25.930 32.740 1.00 50.00 C ATOM 422 C ALA A 28 -2.512 27.214 33.553 1.00 50.00 C ATOM 423 O ALA A 28 -2.923 27.182 34.696 1.00 50.00 O ATOM 424 CB ALA A 28 -0.902 25.403 32.878 1.00 50.00 C ATOM 0 H ALA A 28 -1.646 26.129 30.726 1.00 50.00 H new ATOM 0 HA ALA A 28 -3.065 25.214 33.109 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -0.700 25.168 33.923 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -0.786 24.503 32.274 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -0.199 26.162 32.535 1.00 50.00 H new ATOM 430 N ASP A 29 -2.213 28.341 32.972 1.00 50.00 N ATOM 431 CA ASP A 29 -2.372 29.627 33.711 1.00 50.00 C ATOM 432 C ASP A 29 -3.726 30.260 33.378 1.00 50.00 C ATOM 433 O ASP A 29 -3.999 31.391 33.731 1.00 50.00 O ATOM 434 CB ASP A 29 -1.228 30.513 33.218 1.00 50.00 C ATOM 435 CG ASP A 29 0.099 29.983 33.767 1.00 50.00 C ATOM 436 OD1 ASP A 29 0.365 30.206 34.936 1.00 50.00 O ATOM 437 OD2 ASP A 29 0.826 29.364 33.008 1.00 50.00 O ATOM 0 H ASP A 29 -1.865 28.429 32.017 1.00 50.00 H new ATOM 0 HA ASP A 29 -2.341 29.490 34.792 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -1.205 30.523 32.128 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -1.384 31.542 33.543 1.00 50.00 H new ATOM 442 N ALA A 30 -4.577 29.536 32.702 1.00 50.00 N ATOM 443 CA ALA A 30 -5.914 30.092 32.347 1.00 50.00 C ATOM 444 C ALA A 30 -7.006 29.406 33.174 1.00 50.00 C ATOM 445 O ALA A 30 -8.079 29.941 33.368 1.00 50.00 O ATOM 446 CB ALA A 30 -6.090 29.778 30.861 1.00 50.00 C ATOM 0 H ALA A 30 -4.404 28.584 32.380 1.00 50.00 H new ATOM 0 HA ALA A 30 -5.986 31.161 32.549 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -7.054 30.156 30.521 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -5.292 30.254 30.291 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -6.050 28.699 30.710 1.00 50.00 H new ATOM 452 N GLY A 31 -6.738 28.225 33.660 1.00 50.00 N ATOM 453 CA GLY A 31 -7.757 27.505 34.474 1.00 50.00 C ATOM 454 C GLY A 31 -8.785 26.853 33.545 1.00 50.00 C ATOM 455 O GLY A 31 -9.925 26.648 33.911 1.00 50.00 O ATOM 0 H GLY A 31 -5.857 27.728 33.528 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -7.275 26.746 35.091 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -8.253 28.199 35.152 1.00 50.00 H new ATOM 459 N LEU A 32 -8.390 26.528 32.344 1.00 50.00 N ATOM 460 CA LEU A 32 -9.344 25.892 31.391 1.00 50.00 C ATOM 461 C LEU A 32 -9.959 24.635 32.015 1.00 50.00 C ATOM 462 O LEU A 32 -9.287 23.864 32.670 1.00 50.00 O ATOM 463 CB LEU A 32 -8.499 25.524 30.171 1.00 50.00 C ATOM 464 CG LEU A 32 -8.946 26.362 28.971 1.00 50.00 C ATOM 465 CD1 LEU A 32 -7.813 27.303 28.558 1.00 50.00 C ATOM 466 CD2 LEU A 32 -9.291 25.436 27.803 1.00 50.00 C ATOM 0 H LEU A 32 -7.448 26.675 31.982 1.00 50.00 H new ATOM 0 HA LEU A 32 -10.170 26.554 31.132 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -7.444 25.701 30.379 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -8.606 24.463 29.947 1.00 50.00 H new ATOM 0 HG LEU A 32 -9.825 26.947 29.242 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -8.130 27.901 27.703 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -7.566 27.962 29.390 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -6.935 26.718 28.286 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -9.610 26.032 26.948 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -8.412 24.851 27.531 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -10.097 24.764 28.097 1.00 50.00 H new ATOM 478 N ASP A 33 -11.231 24.423 31.815 1.00 50.00 N ATOM 479 CA ASP A 33 -11.885 23.215 32.396 1.00 50.00 C ATOM 480 C ASP A 33 -11.063 21.964 32.073 1.00 50.00 C ATOM 481 O ASP A 33 -10.307 21.934 31.123 1.00 50.00 O ATOM 482 CB ASP A 33 -13.257 23.144 31.726 1.00 50.00 C ATOM 483 CG ASP A 33 -14.254 22.474 32.674 1.00 50.00 C ATOM 484 OD1 ASP A 33 -14.325 21.257 32.664 1.00 50.00 O ATOM 485 OD2 ASP A 33 -14.929 23.191 33.394 1.00 50.00 O ATOM 0 H ASP A 33 -11.845 25.033 31.275 1.00 50.00 H new ATOM 0 HA ASP A 33 -11.966 23.271 33.482 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -13.600 24.146 31.469 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -13.190 22.582 30.795 1.00 50.00 H new ATOM 490 N GLY A 34 -11.205 20.932 32.858 1.00 50.00 N ATOM 491 CA GLY A 34 -10.431 19.686 32.598 1.00 50.00 C ATOM 492 C GLY A 34 -11.014 18.967 31.378 1.00 50.00 C ATOM 493 O GLY A 34 -10.323 18.252 30.680 1.00 50.00 O ATOM 0 H GLY A 34 -11.824 20.898 33.668 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -9.382 19.926 32.425 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -10.469 19.033 33.470 1.00 50.00 H new ATOM 497 N GLU A 35 -12.278 19.151 31.117 1.00 50.00 N ATOM 498 CA GLU A 35 -12.904 18.478 29.941 1.00 50.00 C ATOM 499 C GLU A 35 -12.340 19.052 28.639 1.00 50.00 C ATOM 500 O GLU A 35 -12.622 18.566 27.561 1.00 50.00 O ATOM 501 CB GLU A 35 -14.396 18.784 30.059 1.00 50.00 C ATOM 502 CG GLU A 35 -15.180 17.854 29.132 1.00 50.00 C ATOM 503 CD GLU A 35 -15.315 16.478 29.788 1.00 50.00 C ATOM 504 OE1 GLU A 35 -14.503 16.170 30.646 1.00 50.00 O ATOM 505 OE2 GLU A 35 -16.226 15.755 29.422 1.00 50.00 O ATOM 0 H GLU A 35 -12.906 19.738 31.666 1.00 50.00 H new ATOM 0 HA GLU A 35 -12.707 17.406 29.926 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -14.725 18.651 31.089 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -14.587 19.824 29.795 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -16.167 18.271 28.930 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -14.670 17.763 28.173 1.00 50.00 H new ATOM 512 N ASP A 36 -11.547 20.084 28.728 1.00 50.00 N ATOM 513 CA ASP A 36 -10.970 20.689 27.494 1.00 50.00 C ATOM 514 C ASP A 36 -9.443 20.580 27.515 1.00 50.00 C ATOM 515 O ASP A 36 -8.829 20.151 26.558 1.00 50.00 O ATOM 516 CB ASP A 36 -11.406 22.154 27.535 1.00 50.00 C ATOM 517 CG ASP A 36 -12.852 22.269 27.045 1.00 50.00 C ATOM 518 OD1 ASP A 36 -13.250 21.447 26.237 1.00 50.00 O ATOM 519 OD2 ASP A 36 -13.536 23.177 27.489 1.00 50.00 O ATOM 0 H ASP A 36 -11.274 20.535 29.601 1.00 50.00 H new ATOM 0 HA ASP A 36 -11.309 20.187 26.588 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -11.323 22.541 28.551 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -10.749 22.758 26.909 1.00 50.00 H new ATOM 524 N TYR A 37 -8.825 20.966 28.596 1.00 12.50 N ATOM 525 CA TYR A 37 -7.338 20.886 28.672 1.00 12.50 C ATOM 526 C TYR A 37 -6.913 20.121 29.929 1.00 12.50 C ATOM 527 O TYR A 37 -7.495 20.266 30.985 1.00 12.50 O ATOM 528 CB TYR A 37 -6.869 22.341 28.739 1.00 12.50 C ATOM 529 CG TYR A 37 -5.435 22.390 29.213 1.00 12.50 C ATOM 530 CD1 TYR A 37 -4.452 21.648 28.549 1.00 50.00 C ATOM 531 CD2 TYR A 37 -5.091 23.179 30.317 1.00 50.00 C ATOM 532 CE1 TYR A 37 -3.124 21.694 28.988 1.00 50.00 C ATOM 533 CE2 TYR A 37 -3.762 23.225 30.757 1.00 50.00 C ATOM 534 CZ TYR A 37 -2.780 22.483 30.092 1.00 12.50 C ATOM 535 OH TYR A 37 -1.470 22.529 30.526 1.00 50.00 O ATOM 0 H TYR A 37 -9.284 21.333 29.430 1.00 12.50 H new ATOM 0 HA TYR A 37 -6.906 20.358 27.822 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -6.954 22.807 27.757 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -7.506 22.908 29.417 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -4.718 21.040 27.697 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -5.850 23.752 30.829 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -2.365 21.121 28.476 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -3.496 23.833 31.609 1.00 50.00 H new ATOM 0 HH TYR A 37 -0.932 23.042 29.888 1.00 50.00 H new ATOM 545 N GLY A 38 -5.898 19.306 29.822 1.00 10.00 N ATOM 546 CA GLY A 38 -5.433 18.532 31.008 1.00 10.00 C ATOM 547 C GLY A 38 -4.542 17.377 30.544 1.00 10.00 C ATOM 548 O GLY A 38 -4.471 17.069 29.371 1.00 10.00 O ATOM 0 H GLY A 38 -5.371 19.143 28.964 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -4.881 19.182 31.686 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -6.288 18.146 31.562 1.00 10.00 H new ATOM 552 N THR A 39 -3.862 16.737 31.456 1.00 10.00 N ATOM 553 CA THR A 39 -2.975 15.603 31.066 1.00 10.00 C ATOM 554 C THR A 39 -3.751 14.283 31.104 1.00 10.00 C ATOM 555 O THR A 39 -4.335 13.924 32.107 1.00 10.00 O ATOM 556 CB THR A 39 -1.857 15.598 32.109 1.00 50.00 C ATOM 557 OG1 THR A 39 -1.369 16.921 32.284 1.00 50.00 O ATOM 558 CG2 THR A 39 -0.718 14.692 31.637 1.00 50.00 C ATOM 0 H THR A 39 -3.882 16.950 32.453 1.00 10.00 H new ATOM 0 HA THR A 39 -2.588 15.713 30.053 1.00 10.00 H new ATOM 0 HB THR A 39 -2.246 15.224 33.056 1.00 50.00 H new ATOM 0 HG1 THR A 39 -0.653 16.920 32.954 1.00 50.00 H new ATOM 0 HG21 THR A 39 0.078 14.690 32.382 1.00 50.00 H new ATOM 0 HG22 THR A 39 -1.092 13.677 31.503 1.00 50.00 H new ATOM 0 HG23 THR A 39 -0.327 15.063 30.689 1.00 50.00 H new ATOM 566 N MET A 40 -3.759 13.559 30.019 1.00 10.00 N ATOM 567 CA MET A 40 -4.496 12.263 29.992 1.00 10.00 C ATOM 568 C MET A 40 -3.581 11.129 30.466 1.00 10.00 C ATOM 569 O MET A 40 -2.422 11.063 30.106 1.00 10.00 O ATOM 570 CB MET A 40 -4.889 12.060 28.529 1.00 10.00 C ATOM 571 CG MET A 40 -6.238 11.340 28.458 1.00 10.00 C ATOM 572 SD MET A 40 -6.004 9.581 28.812 1.00 12.50 S ATOM 573 CE MET A 40 -6.079 8.995 27.101 1.00 50.00 C ATOM 0 H MET A 40 -3.287 13.808 29.150 1.00 10.00 H new ATOM 0 HA MET A 40 -5.366 12.267 30.649 1.00 10.00 H new ATOM 0 HB2 MET A 40 -4.951 13.022 28.021 1.00 10.00 H new ATOM 0 HB3 MET A 40 -4.126 11.477 28.014 1.00 10.00 H new ATOM 0 HG2 MET A 40 -6.933 11.777 29.175 1.00 10.00 H new ATOM 0 HG3 MET A 40 -6.678 11.467 27.469 1.00 10.00 H new ATOM 0 HE1 MET A 40 -6.329 7.934 27.090 1.00 50.00 H new ATOM 0 HE2 MET A 40 -6.842 9.553 26.558 1.00 50.00 H new ATOM 0 HE3 MET A 40 -5.111 9.145 26.622 1.00 50.00 H new ATOM 583 N GLU A 41 -4.091 10.238 31.271 1.00 10.00 N ATOM 584 CA GLU A 41 -3.247 9.112 31.765 1.00 10.00 C ATOM 585 C GLU A 41 -3.647 7.805 31.075 1.00 10.00 C ATOM 586 O GLU A 41 -4.759 7.334 31.213 1.00 10.00 O ATOM 587 CB GLU A 41 -3.531 9.033 33.265 1.00 10.00 C ATOM 588 CG GLU A 41 -2.214 9.109 34.038 1.00 10.00 C ATOM 589 CD GLU A 41 -2.093 7.897 34.964 1.00 12.50 C ATOM 590 OE1 GLU A 41 -2.351 6.798 34.505 1.00 12.50 O ATOM 591 OE2 GLU A 41 -1.743 8.090 36.117 1.00 12.50 O ATOM 0 H GLU A 41 -5.054 10.240 31.608 1.00 10.00 H new ATOM 0 HA GLU A 41 -2.189 9.269 31.557 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -4.189 9.849 33.565 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -4.049 8.103 33.499 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -1.374 9.135 33.344 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -2.175 10.030 34.620 1.00 10.00 H new ATOM 598 N VAL A 42 -2.749 7.215 30.335 1.00 10.00 N ATOM 599 CA VAL A 42 -3.078 5.938 29.640 1.00 10.00 C ATOM 600 C VAL A 42 -2.323 4.774 30.288 1.00 10.00 C ATOM 601 O VAL A 42 -1.108 4.741 30.303 1.00 10.00 O ATOM 602 CB VAL A 42 -2.616 6.141 28.197 1.00 10.00 C ATOM 603 CG1 VAL A 42 -2.953 4.896 27.374 1.00 10.00 C ATOM 604 CG2 VAL A 42 -3.329 7.357 27.602 1.00 10.00 C ATOM 0 H VAL A 42 -1.802 7.562 30.181 1.00 10.00 H new ATOM 0 HA VAL A 42 -4.140 5.698 29.697 1.00 10.00 H new ATOM 0 HB VAL A 42 -1.539 6.306 28.178 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -2.624 5.040 26.345 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -2.446 4.030 27.799 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -4.030 4.730 27.390 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -3.001 7.504 26.573 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -4.406 7.192 27.619 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -3.088 8.243 28.189 1.00 10.00 H new ATOM 614 N ALA A 43 -3.033 3.819 30.824 1.00 10.00 N ATOM 615 CA ALA A 43 -2.355 2.659 31.471 1.00 10.00 C ATOM 616 C ALA A 43 -1.781 1.721 30.406 1.00 10.00 C ATOM 617 O ALA A 43 -2.472 1.300 29.500 1.00 10.00 O ATOM 618 CB ALA A 43 -3.454 1.955 32.268 1.00 50.00 C ATOM 0 H ALA A 43 -4.052 3.791 30.842 1.00 10.00 H new ATOM 0 HA ALA A 43 -1.523 2.967 32.105 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -3.035 1.086 32.776 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -3.866 2.643 33.006 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -4.245 1.633 31.591 1.00 50.00 H new ATOM 624 N GLU A 44 -0.523 1.389 30.509 1.00 10.00 N ATOM 625 CA GLU A 44 0.089 0.477 29.500 1.00 10.00 C ATOM 626 C GLU A 44 -0.833 -0.717 29.242 1.00 10.00 C ATOM 627 O GLU A 44 -1.103 -1.508 30.123 1.00 10.00 O ATOM 628 CB GLU A 44 1.404 0.012 30.128 1.00 10.00 C ATOM 629 CG GLU A 44 2.053 -1.039 29.226 1.00 10.00 C ATOM 630 CD GLU A 44 3.512 -1.238 29.641 1.00 25.00 C ATOM 631 OE1 GLU A 44 3.881 -0.743 30.693 1.00 25.00 O ATOM 632 OE2 GLU A 44 4.235 -1.882 28.900 1.00 25.00 O ATOM 0 H GLU A 44 0.106 1.708 31.246 1.00 10.00 H new ATOM 0 HA GLU A 44 0.249 0.970 28.541 1.00 10.00 H new ATOM 0 HB2 GLU A 44 2.077 0.859 30.260 1.00 10.00 H new ATOM 0 HB3 GLU A 44 1.220 -0.406 31.118 1.00 10.00 H new ATOM 0 HG2 GLU A 44 1.511 -1.982 29.300 1.00 10.00 H new ATOM 0 HG3 GLU A 44 2.000 -0.722 28.184 1.00 10.00 H new ATOM 639 N GLY A 45 -1.320 -0.851 28.039 1.00 10.00 N ATOM 640 CA GLY A 45 -2.226 -1.989 27.724 1.00 10.00 C ATOM 641 C GLY A 45 -3.660 -1.474 27.581 1.00 10.00 C ATOM 642 O GLY A 45 -4.581 -2.230 27.340 1.00 10.00 O ATOM 0 H GLY A 45 -1.129 -0.220 27.260 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -1.909 -2.476 26.802 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -2.174 -2.738 28.514 1.00 10.00 H new ATOM 646 N GLU A 46 -3.860 -0.193 27.728 1.00 10.00 N ATOM 647 CA GLU A 46 -5.236 0.366 27.600 1.00 10.00 C ATOM 648 C GLU A 46 -5.308 1.329 26.411 1.00 10.00 C ATOM 649 O GLU A 46 -4.452 2.172 26.230 1.00 10.00 O ATOM 650 CB GLU A 46 -5.486 1.111 28.911 1.00 10.00 C ATOM 651 CG GLU A 46 -5.417 0.125 30.080 1.00 10.00 C ATOM 652 CD GLU A 46 -6.519 -0.926 29.929 1.00 10.00 C ATOM 653 OE1 GLU A 46 -7.642 -0.540 29.650 1.00 10.00 O ATOM 654 OE2 GLU A 46 -6.221 -2.097 30.096 1.00 10.00 O ATOM 0 H GLU A 46 -3.131 0.491 27.931 1.00 10.00 H new ATOM 0 HA GLU A 46 -5.982 -0.410 27.425 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -4.744 1.898 29.041 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -6.463 1.594 28.886 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -4.440 -0.358 30.105 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -5.534 0.656 31.025 1.00 10.00 H new ATOM 661 N TYR A 47 -6.323 1.207 25.601 1.00 10.00 N ATOM 662 CA TYR A 47 -6.451 2.112 24.422 1.00 10.00 C ATOM 663 C TYR A 47 -6.616 3.563 24.880 1.00 10.00 C ATOM 664 O TYR A 47 -7.396 3.863 25.762 1.00 10.00 O ATOM 665 CB TYR A 47 -7.707 1.633 23.694 1.00 10.00 C ATOM 666 CG TYR A 47 -7.523 0.196 23.269 1.00 10.00 C ATOM 667 CD1 TYR A 47 -6.425 -0.163 22.477 1.00 10.00 C ATOM 668 CD2 TYR A 47 -8.448 -0.777 23.667 1.00 10.00 C ATOM 669 CE1 TYR A 47 -6.252 -1.496 22.084 1.00 10.00 C ATOM 670 CE2 TYR A 47 -8.274 -2.110 23.274 1.00 10.00 C ATOM 671 CZ TYR A 47 -7.176 -2.470 22.483 1.00 10.00 C ATOM 672 OH TYR A 47 -7.005 -3.784 22.096 1.00 10.00 O ATOM 0 H TYR A 47 -7.070 0.520 25.704 1.00 10.00 H new ATOM 0 HA TYR A 47 -5.570 2.083 23.781 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.575 1.722 24.347 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -7.897 2.260 22.823 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -5.712 0.588 22.170 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -9.295 -0.500 24.277 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -5.406 -1.773 21.473 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -8.987 -2.861 23.581 1.00 10.00 H new ATOM 0 HH TYR A 47 -7.734 -4.329 22.459 1.00 10.00 H new ATOM 682 N ILE A 48 -5.886 4.469 24.286 1.00 10.00 N ATOM 683 CA ILE A 48 -6.001 5.900 24.687 1.00 10.00 C ATOM 684 C ILE A 48 -7.476 6.296 24.817 1.00 10.00 C ATOM 685 O ILE A 48 -7.949 6.616 25.890 1.00 10.00 O ATOM 686 CB ILE A 48 -5.323 6.682 23.557 1.00 10.00 C ATOM 687 CG1 ILE A 48 -3.804 6.618 23.737 1.00 10.00 C ATOM 688 CG2 ILE A 48 -5.779 8.143 23.592 1.00 10.00 C ATOM 689 CD1 ILE A 48 -3.122 6.646 22.367 1.00 10.00 C ATOM 0 H ILE A 48 -5.216 4.280 23.541 1.00 10.00 H new ATOM 0 HA ILE A 48 -5.537 6.101 25.653 1.00 10.00 H new ATOM 0 HB ILE A 48 -5.598 6.243 22.598 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -3.464 7.459 24.341 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -3.529 5.709 24.273 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -5.294 8.695 22.787 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -6.860 8.190 23.464 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -5.507 8.586 24.550 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -2.041 6.600 22.498 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -3.453 5.790 21.778 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -3.386 7.567 21.848 1.00 10.00 H new ATOM 701 N LEU A 49 -8.206 6.277 23.735 1.00 10.00 N ATOM 702 CA LEU A 49 -9.647 6.653 23.807 1.00 10.00 C ATOM 703 C LEU A 49 -10.313 5.957 24.997 1.00 10.00 C ATOM 704 O LEU A 49 -11.240 6.473 25.591 1.00 10.00 O ATOM 705 CB LEU A 49 -10.251 6.166 22.490 1.00 10.00 C ATOM 706 CG LEU A 49 -11.777 6.165 22.599 1.00 10.00 C ATOM 707 CD1 LEU A 49 -12.376 6.866 21.378 1.00 10.00 C ATOM 708 CD2 LEU A 49 -12.283 4.723 22.659 1.00 10.00 C ATOM 0 H LEU A 49 -7.869 6.018 22.808 1.00 10.00 H new ATOM 0 HA LEU A 49 -9.789 7.725 23.946 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -9.935 6.812 21.671 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -9.891 5.163 22.261 1.00 10.00 H new ATOM 0 HG LEU A 49 -12.077 6.693 23.504 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -13.463 6.866 21.455 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -12.016 7.894 21.335 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -12.076 6.339 20.472 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -13.370 4.722 22.737 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -11.983 4.194 21.754 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -11.857 4.224 23.529 1.00 10.00 H new ATOM 720 N GLU A 50 -9.849 4.789 25.351 1.00 10.00 N ATOM 721 CA GLU A 50 -10.456 4.062 26.503 1.00 10.00 C ATOM 722 C GLU A 50 -9.924 4.627 27.823 1.00 10.00 C ATOM 723 O GLU A 50 -10.674 4.897 28.740 1.00 10.00 O ATOM 724 CB GLU A 50 -10.022 2.606 26.327 1.00 10.00 C ATOM 725 CG GLU A 50 -10.628 1.753 27.444 1.00 10.00 C ATOM 726 CD GLU A 50 -11.211 0.471 26.845 1.00 50.00 C ATOM 727 OE1 GLU A 50 -10.434 -0.392 26.471 1.00 50.00 O ATOM 728 OE2 GLU A 50 -12.425 0.373 26.771 1.00 50.00 O ATOM 0 H GLU A 50 -9.076 4.307 24.892 1.00 10.00 H new ATOM 0 HA GLU A 50 -11.541 4.162 26.530 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -10.346 2.234 25.355 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.935 2.534 26.350 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -9.866 1.508 28.184 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -11.407 2.312 27.962 1.00 10.00 H new ATOM 735 N ALA A 51 -8.635 4.810 27.927 1.00 10.00 N ATOM 736 CA ALA A 51 -8.063 5.360 29.190 1.00 10.00 C ATOM 737 C ALA A 51 -8.695 6.714 29.508 1.00 10.00 C ATOM 738 O ALA A 51 -9.030 7.007 30.639 1.00 10.00 O ATOM 739 CB ALA A 51 -6.566 5.515 28.915 1.00 12.50 C ATOM 0 H ALA A 51 -7.955 4.603 27.195 1.00 10.00 H new ATOM 0 HA ALA A 51 -8.253 4.713 30.046 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -6.073 5.916 29.800 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -6.138 4.543 28.671 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -6.419 6.197 28.077 1.00 12.50 H new ATOM 745 N ALA A 52 -8.861 7.539 28.516 1.00 10.00 N ATOM 746 CA ALA A 52 -9.475 8.879 28.749 1.00 10.00 C ATOM 747 C ALA A 52 -10.993 8.744 28.885 1.00 10.00 C ATOM 748 O ALA A 52 -11.642 9.542 29.531 1.00 10.00 O ATOM 749 CB ALA A 52 -9.116 9.702 27.513 1.00 10.00 C ATOM 0 H ALA A 52 -8.598 7.346 27.550 1.00 10.00 H new ATOM 0 HA ALA A 52 -9.114 9.347 29.665 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.534 10.704 27.609 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.032 9.768 27.422 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.526 9.222 26.624 1.00 10.00 H new ATOM 755 N GLU A 53 -11.563 7.738 28.280 1.00 10.00 N ATOM 756 CA GLU A 53 -13.038 7.551 28.376 1.00 10.00 C ATOM 757 C GLU A 53 -13.437 7.307 29.831 1.00 10.00 C ATOM 758 O GLU A 53 -14.470 7.754 30.288 1.00 10.00 O ATOM 759 CB GLU A 53 -13.336 6.319 27.521 1.00 10.00 C ATOM 760 CG GLU A 53 -13.762 6.764 26.121 1.00 10.00 C ATOM 761 CD GLU A 53 -15.284 6.923 26.076 1.00 10.00 C ATOM 762 OE1 GLU A 53 -15.969 5.963 26.387 1.00 10.00 O ATOM 763 OE2 GLU A 53 -15.736 8.002 25.731 1.00 10.00 O ATOM 0 H GLU A 53 -11.071 7.038 27.724 1.00 10.00 H new ATOM 0 HA GLU A 53 -13.593 8.425 28.034 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -12.453 5.683 27.460 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -14.125 5.725 27.982 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -13.280 7.707 25.865 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -13.440 6.031 25.381 1.00 10.00 H new ATOM 770 N ALA A 54 -12.619 6.603 30.560 1.00 10.00 N ATOM 771 CA ALA A 54 -12.939 6.330 31.989 1.00 10.00 C ATOM 772 C ALA A 54 -12.664 7.578 32.834 1.00 10.00 C ATOM 773 O ALA A 54 -12.936 7.611 34.018 1.00 10.00 O ATOM 774 CB ALA A 54 -12.002 5.191 32.393 1.00 50.00 C ATOM 0 H ALA A 54 -11.741 6.204 30.228 1.00 10.00 H new ATOM 0 HA ALA A 54 -13.986 6.067 32.138 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -12.176 4.930 33.437 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -12.194 4.321 31.764 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -10.967 5.509 32.266 1.00 50.00 H new ATOM 780 N GLN A 55 -12.126 8.604 32.233 1.00 10.00 N ATOM 781 CA GLN A 55 -11.833 9.850 32.998 1.00 10.00 C ATOM 782 C GLN A 55 -12.901 10.909 32.715 1.00 10.00 C ATOM 783 O GLN A 55 -13.121 11.809 33.502 1.00 10.00 O ATOM 784 CB GLN A 55 -10.468 10.316 32.490 1.00 10.00 C ATOM 785 CG GLN A 55 -9.396 9.300 32.894 1.00 10.00 C ATOM 786 CD GLN A 55 -8.186 10.038 33.471 1.00 10.00 C ATOM 787 OE1 GLN A 55 -7.414 10.627 32.741 1.00 10.00 O ATOM 788 NE2 GLN A 55 -7.987 10.029 34.761 1.00 10.00 N ATOM 0 H GLN A 55 -11.876 8.634 31.244 1.00 10.00 H new ATOM 0 HA GLN A 55 -11.831 9.682 34.075 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -10.490 10.425 31.406 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -10.230 11.296 32.904 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -9.798 8.605 33.632 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -9.096 8.708 32.029 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -8.635 9.534 35.374 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -7.183 10.517 35.156 1.00 10.00 H new ATOM 797 N GLY A 56 -13.568 10.809 31.597 1.00 10.00 N ATOM 798 CA GLY A 56 -14.621 11.810 31.265 1.00 10.00 C ATOM 799 C GLY A 56 -14.246 12.537 29.971 1.00 10.00 C ATOM 800 O GLY A 56 -14.673 13.646 29.726 1.00 10.00 O ATOM 0 H GLY A 56 -13.429 10.078 30.900 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -15.585 11.315 31.150 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -14.726 12.527 32.080 1.00 10.00 H new ATOM 804 N TYR A 57 -13.451 11.918 29.141 1.00 10.00 N ATOM 805 CA TYR A 57 -13.050 12.574 27.863 1.00 10.00 C ATOM 806 C TYR A 57 -13.859 11.996 26.698 1.00 10.00 C ATOM 807 O TYR A 57 -13.588 10.913 26.218 1.00 10.00 O ATOM 808 CB TYR A 57 -11.565 12.250 27.699 1.00 10.00 C ATOM 809 CG TYR A 57 -10.777 12.940 28.787 1.00 10.00 C ATOM 810 CD1 TYR A 57 -11.009 14.293 29.069 1.00 10.00 C ATOM 811 CD2 TYR A 57 -9.817 12.227 29.513 1.00 10.00 C ATOM 812 CE1 TYR A 57 -10.278 14.931 30.078 1.00 12.50 C ATOM 813 CE2 TYR A 57 -9.086 12.866 30.521 1.00 12.50 C ATOM 814 CZ TYR A 57 -9.317 14.219 30.804 1.00 12.50 C ATOM 815 OH TYR A 57 -8.597 14.848 31.799 1.00 12.50 O ATOM 0 H TYR A 57 -13.062 10.987 29.292 1.00 10.00 H new ATOM 0 HA TYR A 57 -13.232 13.649 27.875 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -11.409 11.172 27.750 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -11.216 12.577 26.719 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -11.751 14.843 28.509 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -9.640 11.184 29.296 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -10.456 15.974 30.296 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -8.344 12.316 31.081 1.00 12.50 H new ATOM 0 HH TYR A 57 -8.207 15.675 31.447 1.00 12.50 H new ATOM 825 N ASP A 58 -14.855 12.707 26.245 1.00 10.00 N ATOM 826 CA ASP A 58 -15.684 12.195 25.116 1.00 10.00 C ATOM 827 C ASP A 58 -15.081 12.618 23.773 1.00 10.00 C ATOM 828 O ASP A 58 -15.047 13.785 23.436 1.00 10.00 O ATOM 829 CB ASP A 58 -17.057 12.837 25.311 1.00 10.00 C ATOM 830 CG ASP A 58 -16.956 14.343 25.062 1.00 10.00 C ATOM 831 OD1 ASP A 58 -16.414 15.030 25.913 1.00 10.00 O ATOM 832 OD2 ASP A 58 -17.421 14.786 24.025 1.00 10.00 O ATOM 0 H ASP A 58 -15.131 13.620 26.607 1.00 10.00 H new ATOM 0 HA ASP A 58 -15.738 11.106 25.108 1.00 10.00 H new ATOM 0 HB2 ASP A 58 -17.779 12.392 24.626 1.00 10.00 H new ATOM 0 HB3 ASP A 58 -17.418 12.648 26.322 1.00 10.00 H new ATOM 837 N TRP A 59 -14.609 11.676 23.003 1.00 10.00 N ATOM 838 CA TRP A 59 -14.014 12.024 21.681 1.00 10.00 C ATOM 839 C TRP A 59 -15.013 11.716 20.562 1.00 10.00 C ATOM 840 O TRP A 59 -15.701 10.716 20.601 1.00 10.00 O ATOM 841 CB TRP A 59 -12.777 11.135 21.556 1.00 10.00 C ATOM 842 CG TRP A 59 -11.896 11.333 22.746 1.00 10.00 C ATOM 843 CD1 TRP A 59 -12.141 10.848 23.985 1.00 10.00 C ATOM 844 CD2 TRP A 59 -10.633 12.056 22.833 1.00 10.00 C ATOM 845 NE1 TRP A 59 -11.112 11.230 24.826 1.00 50.00 N ATOM 846 CE2 TRP A 59 -10.157 11.976 24.163 1.00 50.00 C ATOM 847 CE3 TRP A 59 -9.863 12.767 21.895 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -8.959 12.579 24.549 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -8.657 13.376 22.279 1.00 50.00 C ATOM 850 CH2 TRP A 59 -8.207 13.282 23.604 1.00 50.00 C ATOM 0 H TRP A 59 -14.609 10.682 23.231 1.00 10.00 H new ATOM 0 HA TRP A 59 -13.762 13.082 21.604 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -13.074 10.089 21.481 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -12.233 11.378 20.643 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -13.000 10.259 24.271 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -11.064 10.990 25.816 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -10.201 12.845 20.872 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -8.616 12.503 25.570 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -8.073 13.919 21.550 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -7.279 13.753 23.894 1.00 50.00 H new ATOM 861 N PRO A 60 -15.058 12.594 19.597 1.00 10.00 N ATOM 862 CA PRO A 60 -15.983 12.419 18.451 1.00 10.00 C ATOM 863 C PRO A 60 -15.487 11.297 17.534 1.00 10.00 C ATOM 864 O PRO A 60 -14.974 11.540 16.459 1.00 10.00 O ATOM 865 CB PRO A 60 -15.933 13.768 17.741 1.00 10.00 C ATOM 866 CG PRO A 60 -14.610 14.357 18.119 1.00 10.00 C ATOM 867 CD PRO A 60 -14.259 13.820 19.483 1.00 10.00 C ATOM 0 HA PRO A 60 -16.993 12.141 18.751 1.00 10.00 H new ATOM 0 HB2 PRO A 60 -16.018 13.649 16.661 1.00 10.00 H new ATOM 0 HB3 PRO A 60 -16.755 14.410 18.056 1.00 10.00 H new ATOM 0 HG2 PRO A 60 -13.846 14.087 17.390 1.00 10.00 H new ATOM 0 HG3 PRO A 60 -14.664 15.446 18.136 1.00 10.00 H new ATOM 0 HD2 PRO A 60 -13.193 13.611 19.568 1.00 10.00 H new ATOM 0 HD3 PRO A 60 -14.507 14.533 20.269 1.00 10.00 H new ATOM 1011 N ALA A 72 -10.222 12.220 15.235 1.00 10.00 N ATOM 1012 CA ALA A 72 -10.513 13.663 15.476 1.00 10.00 C ATOM 1013 C ALA A 72 -9.628 14.209 16.600 1.00 10.00 C ATOM 1014 O ALA A 72 -10.112 14.655 17.622 1.00 10.00 O ATOM 1015 CB ALA A 72 -11.984 13.706 15.887 1.00 10.00 C ATOM 0 HA ALA A 72 -10.314 14.273 14.595 1.00 10.00 H new ATOM 0 HB1 ALA A 72 -12.277 14.737 16.083 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -12.598 13.301 15.083 1.00 10.00 H new ATOM 0 HB3 ALA A 72 -12.127 13.111 16.789 1.00 10.00 H new ATOM 1021 N SER A 73 -8.336 14.182 16.420 1.00 10.00 N ATOM 1022 CA SER A 73 -7.426 14.704 17.479 1.00 10.00 C ATOM 1023 C SER A 73 -6.138 15.240 16.849 1.00 10.00 C ATOM 1024 O SER A 73 -5.441 14.538 16.143 1.00 10.00 O ATOM 1025 CB SER A 73 -7.123 13.505 18.381 1.00 50.00 C ATOM 1026 OG SER A 73 -7.848 12.370 17.930 1.00 50.00 O ATOM 0 H SER A 73 -7.871 13.822 15.587 1.00 10.00 H new ATOM 0 HA SER A 73 -7.876 15.525 18.037 1.00 10.00 H new ATOM 0 HB2 SER A 73 -6.054 13.292 18.372 1.00 50.00 H new ATOM 0 HB3 SER A 73 -7.394 13.735 19.411 1.00 50.00 H new ATOM 0 HG SER A 73 -7.634 12.198 16.989 1.00 50.00 H new ATOM 1032 N ILE A 74 -5.818 16.481 17.096 1.00 10.00 N ATOM 1033 CA ILE A 74 -4.577 17.062 16.510 1.00 10.00 C ATOM 1034 C ILE A 74 -3.377 16.775 17.416 1.00 10.00 C ATOM 1035 O ILE A 74 -2.939 17.624 18.166 1.00 10.00 O ATOM 1036 CB ILE A 74 -4.843 18.566 16.434 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -6.155 18.818 15.688 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -3.693 19.251 15.692 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -6.165 18.011 14.390 1.00 10.00 C ATOM 0 H ILE A 74 -6.362 17.118 17.678 1.00 10.00 H new ATOM 0 HA ILE A 74 -4.344 16.638 15.533 1.00 10.00 H new ATOM 0 HB ILE A 74 -4.917 18.972 17.443 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -7.002 18.533 16.313 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -6.263 19.880 15.469 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -3.882 20.323 15.638 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -2.759 19.074 16.226 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -3.617 18.844 14.684 1.00 50.00 H new ATOM 0 HD11 ILE A 74 -7.099 18.190 13.858 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -5.327 18.318 13.765 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -6.076 16.949 14.621 1.00 10.00 H new ATOM 1051 N VAL A 75 -2.840 15.588 17.349 1.00 10.00 N ATOM 1052 CA VAL A 75 -1.665 15.258 18.209 1.00 10.00 C ATOM 1053 C VAL A 75 -0.583 16.329 18.043 1.00 10.00 C ATOM 1054 O VAL A 75 0.019 16.457 16.994 1.00 10.00 O ATOM 1055 CB VAL A 75 -1.168 13.904 17.702 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -0.791 14.019 16.224 1.00 50.00 C ATOM 1057 CG2 VAL A 75 0.060 13.476 18.509 1.00 50.00 C ATOM 0 H VAL A 75 -3.161 14.835 16.740 1.00 10.00 H new ATOM 0 HA VAL A 75 -1.920 15.222 19.268 1.00 10.00 H new ATOM 0 HB VAL A 75 -1.957 13.161 17.819 1.00 50.00 H new ATOM 0 HG11 VAL A 75 -0.437 13.054 15.863 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -1.665 14.323 15.648 1.00 50.00 H new ATOM 0 HG13 VAL A 75 -0.002 14.762 16.106 1.00 50.00 H new ATOM 0 HG21 VAL A 75 0.414 12.511 18.148 1.00 50.00 H new ATOM 0 HG22 VAL A 75 0.849 14.219 18.393 1.00 50.00 H new ATOM 0 HG23 VAL A 75 -0.208 13.393 19.562 1.00 50.00 H new ATOM 1067 N LYS A 76 -0.332 17.105 19.063 1.00 10.00 N ATOM 1068 CA LYS A 76 0.708 18.169 18.948 1.00 10.00 C ATOM 1069 C LYS A 76 2.106 17.586 19.178 1.00 10.00 C ATOM 1070 O LYS A 76 3.104 18.226 18.911 1.00 10.00 O ATOM 1071 CB LYS A 76 0.363 19.182 20.040 1.00 25.00 C ATOM 1072 CG LYS A 76 0.589 20.599 19.509 1.00 25.00 C ATOM 1073 CD LYS A 76 1.971 20.685 18.860 1.00 50.00 C ATOM 1074 CE LYS A 76 2.311 22.150 18.573 1.00 50.00 C ATOM 1075 NZ LYS A 76 3.792 22.235 18.723 1.00 50.00 N ATOM 0 H LYS A 76 -0.800 17.049 19.968 1.00 10.00 H new ATOM 0 HA LYS A 76 0.719 18.623 17.957 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -0.675 19.059 20.350 1.00 25.00 H new ATOM 0 HB3 LYS A 76 0.982 19.009 20.921 1.00 25.00 H new ATOM 0 HG2 LYS A 76 -0.182 20.854 18.782 1.00 25.00 H new ATOM 0 HG3 LYS A 76 0.512 21.320 20.322 1.00 25.00 H new ATOM 0 HD2 LYS A 76 2.722 20.249 19.519 1.00 50.00 H new ATOM 0 HD3 LYS A 76 1.986 20.109 17.935 1.00 50.00 H new ATOM 0 HE2 LYS A 76 1.998 22.439 17.570 1.00 50.00 H new ATOM 0 HE3 LYS A 76 1.804 22.817 19.270 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 4.104 23.210 18.542 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 4.059 21.960 19.690 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 4.247 21.594 18.042 1.00 50.00 H new ATOM 1089 N GLU A 77 2.192 16.380 19.671 1.00 10.00 N ATOM 1090 CA GLU A 77 3.532 15.771 19.911 1.00 10.00 C ATOM 1091 C GLU A 77 3.382 14.350 20.461 1.00 10.00 C ATOM 1092 O GLU A 77 2.338 13.972 20.956 1.00 10.00 O ATOM 1093 CB GLU A 77 4.199 16.680 20.945 1.00 10.00 C ATOM 1094 CG GLU A 77 5.716 16.654 20.747 1.00 10.00 C ATOM 1095 CD GLU A 77 6.400 16.364 22.084 1.00 25.00 C ATOM 1096 OE1 GLU A 77 5.934 15.483 22.787 1.00 25.00 O ATOM 1097 OE2 GLU A 77 7.380 17.028 22.382 1.00 25.00 O ATOM 0 H GLU A 77 1.396 15.792 19.917 1.00 10.00 H new ATOM 0 HA GLU A 77 4.119 15.693 18.996 1.00 10.00 H new ATOM 0 HB2 GLU A 77 3.826 17.699 20.843 1.00 10.00 H new ATOM 0 HB3 GLU A 77 3.948 16.348 21.952 1.00 10.00 H new ATOM 0 HG2 GLU A 77 5.985 15.892 20.016 1.00 10.00 H new ATOM 0 HG3 GLU A 77 6.058 17.610 20.351 1.00 10.00 H new ATOM 1104 N GLY A 78 4.417 13.558 20.377 1.00 10.00 N ATOM 1105 CA GLY A 78 4.335 12.164 20.895 1.00 10.00 C ATOM 1106 C GLY A 78 3.706 11.261 19.832 1.00 10.00 C ATOM 1107 O GLY A 78 3.028 11.721 18.934 1.00 10.00 O ATOM 0 H GLY A 78 5.316 13.817 19.971 1.00 10.00 H new ATOM 0 HA2 GLY A 78 5.330 11.801 21.153 1.00 10.00 H new ATOM 0 HA3 GLY A 78 3.740 12.138 21.808 1.00 10.00 H new ATOM 1111 N GLU A 79 3.923 9.978 19.926 1.00 10.00 N ATOM 1112 CA GLU A 79 3.337 9.045 18.922 1.00 10.00 C ATOM 1113 C GLU A 79 2.664 7.866 19.629 1.00 10.00 C ATOM 1114 O GLU A 79 2.922 7.594 20.785 1.00 10.00 O ATOM 1115 CB GLU A 79 4.523 8.564 18.085 1.00 25.00 C ATOM 1116 CG GLU A 79 4.072 7.420 17.173 1.00 25.00 C ATOM 1117 CD GLU A 79 5.008 7.333 15.965 1.00 50.00 C ATOM 1118 OE1 GLU A 79 5.031 8.273 15.188 1.00 50.00 O ATOM 1119 OE2 GLU A 79 5.685 6.325 15.837 1.00 50.00 O ATOM 0 H GLU A 79 4.481 9.535 20.655 1.00 10.00 H new ATOM 0 HA GLU A 79 2.575 9.525 18.307 1.00 10.00 H new ATOM 0 HB2 GLU A 79 4.918 9.386 17.488 1.00 25.00 H new ATOM 0 HB3 GLU A 79 5.329 8.228 18.737 1.00 25.00 H new ATOM 0 HG2 GLU A 79 4.080 6.478 17.722 1.00 25.00 H new ATOM 0 HG3 GLU A 79 3.047 7.587 16.842 1.00 25.00 H new ATOM 1126 N ILE A 80 1.804 7.165 18.945 1.00 10.00 N ATOM 1127 CA ILE A 80 1.118 6.004 19.579 1.00 10.00 C ATOM 1128 C ILE A 80 1.419 4.724 18.795 1.00 10.00 C ATOM 1129 O ILE A 80 1.844 4.767 17.659 1.00 10.00 O ATOM 1130 CB ILE A 80 -0.372 6.341 19.515 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -0.643 7.614 20.321 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -1.183 5.184 20.103 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -0.329 8.839 19.460 1.00 50.00 C ATOM 0 H ILE A 80 1.546 7.345 17.975 1.00 10.00 H new ATOM 0 HA ILE A 80 1.450 5.833 20.603 1.00 10.00 H new ATOM 0 HB ILE A 80 -0.664 6.499 18.477 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -1.684 7.639 20.642 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -0.031 7.623 21.223 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -2.245 5.424 20.057 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -0.991 4.277 19.530 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -0.891 5.026 21.141 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -0.522 9.746 20.033 1.00 50.00 H new ATOM 0 HD12 ILE A 80 0.719 8.815 19.161 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -0.960 8.831 18.571 1.00 50.00 H new ATOM 1145 N ASP A 81 1.205 3.584 19.395 1.00 10.00 N ATOM 1146 CA ASP A 81 1.486 2.305 18.683 1.00 10.00 C ATOM 1147 C ASP A 81 0.216 1.455 18.590 1.00 10.00 C ATOM 1148 O ASP A 81 -0.415 1.153 19.583 1.00 10.00 O ATOM 1149 CB ASP A 81 2.539 1.601 19.538 1.00 10.00 C ATOM 1150 CG ASP A 81 3.533 0.875 18.629 1.00 10.00 C ATOM 1151 OD1 ASP A 81 3.255 0.769 17.445 1.00 10.00 O ATOM 1152 OD2 ASP A 81 4.555 0.437 19.132 1.00 10.00 O ATOM 0 H ASP A 81 0.849 3.483 20.345 1.00 10.00 H new ATOM 0 HA ASP A 81 1.830 2.470 17.662 1.00 10.00 H new ATOM 0 HB2 ASP A 81 3.062 2.327 20.160 1.00 10.00 H new ATOM 0 HB3 ASP A 81 2.060 0.890 20.212 1.00 10.00 H new ATOM 1157 N MET A 82 -0.158 1.062 17.402 1.00 12.50 N ATOM 1158 CA MET A 82 -1.384 0.227 17.242 1.00 12.50 C ATOM 1159 C MET A 82 -1.046 -1.059 16.483 1.00 12.50 C ATOM 1160 O MET A 82 0.088 -1.295 16.118 1.00 12.50 O ATOM 1161 CB MET A 82 -2.350 1.091 16.430 1.00 12.50 C ATOM 1162 CG MET A 82 -1.627 1.650 15.203 1.00 12.50 C ATOM 1163 SD MET A 82 -1.265 3.405 15.459 1.00 12.50 S ATOM 1164 CE MET A 82 -1.610 3.957 13.771 1.00 50.00 C ATOM 0 H MET A 82 0.332 1.283 16.535 1.00 12.50 H new ATOM 0 HA MET A 82 -1.812 -0.069 18.200 1.00 12.50 H new ATOM 0 HB2 MET A 82 -3.211 0.499 16.120 1.00 12.50 H new ATOM 0 HB3 MET A 82 -2.729 1.907 17.045 1.00 12.50 H new ATOM 0 HG2 MET A 82 -0.702 1.099 15.031 1.00 12.50 H new ATOM 0 HG3 MET A 82 -2.245 1.522 14.314 1.00 12.50 H new ATOM 0 HE1 MET A 82 -1.867 5.016 13.780 1.00 50.00 H new ATOM 0 HE2 MET A 82 -0.727 3.803 13.150 1.00 50.00 H new ATOM 0 HE3 MET A 82 -2.444 3.385 13.364 1.00 50.00 H new ATOM 1174 N ASP A 83 -2.020 -1.894 16.241 1.00 50.00 N ATOM 1175 CA ASP A 83 -1.746 -3.161 15.505 1.00 50.00 C ATOM 1176 C ASP A 83 -0.980 -2.865 14.213 1.00 50.00 C ATOM 1177 O ASP A 83 -1.081 -1.791 13.653 1.00 50.00 O ATOM 1178 CB ASP A 83 -3.124 -3.744 15.191 1.00 50.00 C ATOM 1179 CG ASP A 83 -3.439 -4.871 16.177 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -3.251 -4.663 17.364 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -3.862 -5.923 15.727 1.00 50.00 O ATOM 0 H ASP A 83 -2.991 -1.754 16.520 1.00 50.00 H new ATOM 0 HA ASP A 83 -1.135 -3.852 16.085 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -3.884 -2.965 15.258 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -3.146 -4.124 14.169 1.00 50.00 H new ATOM 1275 N SER A 89 -1.966 8.140 7.016 1.00 12.50 N ATOM 1276 CA SER A 89 -0.629 8.379 6.398 1.00 12.50 C ATOM 1277 C SER A 89 0.211 9.300 7.289 1.00 12.50 C ATOM 1278 O SER A 89 -0.312 10.045 8.094 1.00 12.50 O ATOM 1279 CB SER A 89 -0.929 9.056 5.060 1.00 12.50 C ATOM 1280 OG SER A 89 -1.404 8.088 4.135 1.00 12.50 O ATOM 0 HA SER A 89 -0.061 7.457 6.272 1.00 12.50 H new ATOM 0 HB2 SER A 89 -1.673 9.840 5.196 1.00 12.50 H new ATOM 0 HB3 SER A 89 -0.029 9.534 4.672 1.00 12.50 H new ATOM 0 HG SER A 89 -2.066 7.514 4.573 1.00 12.50 H new ATOM 1286 N ASP A 90 1.508 9.256 7.150 1.00 10.00 N ATOM 1287 CA ASP A 90 2.377 10.130 7.989 1.00 10.00 C ATOM 1288 C ASP A 90 2.053 11.602 7.728 1.00 10.00 C ATOM 1289 O ASP A 90 1.888 12.385 8.640 1.00 10.00 O ATOM 1290 CB ASP A 90 3.807 9.810 7.553 1.00 10.00 C ATOM 1291 CG ASP A 90 4.287 8.545 8.268 1.00 10.00 C ATOM 1292 OD1 ASP A 90 3.481 7.927 8.944 1.00 10.00 O ATOM 1293 OD2 ASP A 90 5.454 8.215 8.127 1.00 10.00 O ATOM 0 H ASP A 90 2.003 8.653 6.493 1.00 10.00 H new ATOM 0 HA ASP A 90 2.230 9.955 9.055 1.00 10.00 H new ATOM 0 HB2 ASP A 90 3.846 9.667 6.473 1.00 10.00 H new ATOM 0 HB3 ASP A 90 4.466 10.646 7.788 1.00 10.00 H new ATOM 1298 N GLU A 91 1.957 11.980 6.485 1.00 12.50 N ATOM 1299 CA GLU A 91 1.639 13.400 6.162 1.00 12.50 C ATOM 1300 C GLU A 91 0.354 13.815 6.876 1.00 12.50 C ATOM 1301 O GLU A 91 0.089 14.985 7.073 1.00 12.50 O ATOM 1302 CB GLU A 91 1.446 13.429 4.645 1.00 12.50 C ATOM 1303 CG GLU A 91 2.737 13.904 3.975 1.00 12.50 C ATOM 1304 CD GLU A 91 2.720 15.430 3.856 1.00 50.00 C ATOM 1305 OE1 GLU A 91 2.887 16.086 4.870 1.00 50.00 O ATOM 1306 OE2 GLU A 91 2.539 15.914 2.751 1.00 50.00 O ATOM 0 H GLU A 91 2.085 11.369 5.679 1.00 12.50 H new ATOM 0 HA GLU A 91 2.422 14.088 6.482 1.00 12.50 H new ATOM 0 HB2 GLU A 91 1.180 12.436 4.283 1.00 12.50 H new ATOM 0 HB3 GLU A 91 0.623 14.094 4.385 1.00 12.50 H new ATOM 0 HG2 GLU A 91 3.601 13.584 4.558 1.00 12.50 H new ATOM 0 HG3 GLU A 91 2.834 13.453 2.988 1.00 12.50 H new ATOM 1313 N GLU A 92 -0.443 12.863 7.272 1.00 10.00 N ATOM 1314 CA GLU A 92 -1.711 13.195 7.982 1.00 10.00 C ATOM 1315 C GLU A 92 -1.403 13.651 9.410 1.00 10.00 C ATOM 1316 O GLU A 92 -1.950 14.621 9.894 1.00 10.00 O ATOM 1317 CB GLU A 92 -2.514 11.894 7.994 1.00 50.00 C ATOM 1318 CG GLU A 92 -3.982 12.199 7.688 1.00 50.00 C ATOM 1319 CD GLU A 92 -4.864 11.617 8.795 1.00 50.00 C ATOM 1320 OE1 GLU A 92 -4.651 10.471 9.154 1.00 50.00 O ATOM 1321 OE2 GLU A 92 -5.738 12.328 9.263 1.00 50.00 O ATOM 0 H GLU A 92 -0.271 11.867 7.135 1.00 10.00 H new ATOM 0 HA GLU A 92 -2.260 14.003 7.498 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -2.114 11.200 7.255 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -2.427 11.409 8.966 1.00 50.00 H new ATOM 0 HG2 GLU A 92 -4.134 13.276 7.616 1.00 50.00 H new ATOM 0 HG3 GLU A 92 -4.260 11.772 6.724 1.00 50.00 H new ATOM 1328 N VAL A 93 -0.525 12.961 10.085 1.00 10.00 N ATOM 1329 CA VAL A 93 -0.175 13.358 11.479 1.00 10.00 C ATOM 1330 C VAL A 93 0.817 14.523 11.452 1.00 10.00 C ATOM 1331 O VAL A 93 1.057 15.172 12.451 1.00 10.00 O ATOM 1332 CB VAL A 93 0.467 12.115 12.098 1.00 10.00 C ATOM 1333 CG1 VAL A 93 0.570 12.297 13.613 1.00 10.00 C ATOM 1334 CG2 VAL A 93 -0.393 10.887 11.790 1.00 10.00 C ATOM 0 H VAL A 93 -0.035 12.139 9.732 1.00 10.00 H new ATOM 0 HA VAL A 93 -1.043 13.689 12.050 1.00 10.00 H new ATOM 0 HB VAL A 93 1.463 11.974 11.679 1.00 10.00 H new ATOM 0 HG11 VAL A 93 1.027 11.412 14.056 1.00 10.00 H new ATOM 0 HG12 VAL A 93 1.183 13.171 13.834 1.00 10.00 H new ATOM 0 HG13 VAL A 93 -0.427 12.438 14.031 1.00 10.00 H new ATOM 0 HG21 VAL A 93 0.065 10.002 12.231 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -1.390 11.027 12.208 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -0.468 10.757 10.710 1.00 10.00 H new ATOM 1344 N GLU A 94 1.392 14.795 10.312 1.00 12.50 N ATOM 1345 CA GLU A 94 2.363 15.921 10.215 1.00 12.50 C ATOM 1346 C GLU A 94 1.680 17.145 9.602 1.00 12.50 C ATOM 1347 O GLU A 94 2.024 18.273 9.892 1.00 12.50 O ATOM 1348 CB GLU A 94 3.472 15.410 9.294 1.00 12.50 C ATOM 1349 CG GLU A 94 4.791 16.096 9.654 1.00 12.50 C ATOM 1350 CD GLU A 94 5.956 15.147 9.363 1.00 12.50 C ATOM 1351 OE1 GLU A 94 5.918 14.493 8.333 1.00 12.50 O ATOM 1352 OE2 GLU A 94 6.866 15.091 10.173 1.00 12.50 O ATOM 0 H GLU A 94 1.231 14.285 9.443 1.00 12.50 H new ATOM 0 HA GLU A 94 2.750 16.222 11.188 1.00 12.50 H new ATOM 0 HB2 GLU A 94 3.573 14.329 9.394 1.00 12.50 H new ATOM 0 HB3 GLU A 94 3.217 15.612 8.254 1.00 12.50 H new ATOM 0 HG2 GLU A 94 4.904 17.015 9.079 1.00 12.50 H new ATOM 0 HG3 GLU A 94 4.791 16.377 10.707 1.00 12.50 H new ATOM 1359 N GLU A 95 0.709 16.926 8.757 1.00 12.50 N ATOM 1360 CA GLU A 95 -0.003 18.074 8.126 1.00 12.50 C ATOM 1361 C GLU A 95 -1.221 18.463 8.969 1.00 12.50 C ATOM 1362 O GLU A 95 -1.496 19.626 9.179 1.00 12.50 O ATOM 1363 CB GLU A 95 -0.441 17.563 6.753 1.00 25.00 C ATOM 1364 CG GLU A 95 -0.885 18.744 5.887 1.00 25.00 C ATOM 1365 CD GLU A 95 0.019 18.843 4.657 1.00 50.00 C ATOM 1366 OE1 GLU A 95 1.219 18.694 4.815 1.00 50.00 O ATOM 1367 OE2 GLU A 95 -0.505 19.065 3.578 1.00 50.00 O ATOM 0 H GLU A 95 0.378 16.003 8.477 1.00 12.50 H new ATOM 0 HA GLU A 95 0.627 18.960 8.047 1.00 12.50 H new ATOM 0 HB2 GLU A 95 0.381 17.034 6.271 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -1.259 16.851 6.862 1.00 25.00 H new ATOM 0 HG2 GLU A 95 -1.922 18.613 5.579 1.00 25.00 H new ATOM 0 HG3 GLU A 95 -0.837 19.669 6.462 1.00 25.00 H new ATOM 1374 N LYS A 96 -1.951 17.495 9.453 1.00 25.00 N ATOM 1375 CA LYS A 96 -3.149 17.809 10.283 1.00 25.00 C ATOM 1376 C LYS A 96 -2.948 17.303 11.715 1.00 25.00 C ATOM 1377 O LYS A 96 -3.673 17.668 12.619 1.00 25.00 O ATOM 1378 CB LYS A 96 -4.303 17.068 9.607 1.00 25.00 C ATOM 1379 CG LYS A 96 -5.611 17.824 9.855 1.00 25.00 C ATOM 1380 CD LYS A 96 -6.629 17.452 8.775 1.00 25.00 C ATOM 1381 CE LYS A 96 -8.036 17.448 9.379 1.00 25.00 C ATOM 1382 NZ LYS A 96 -8.787 16.431 8.592 1.00 25.00 N ATOM 0 H LYS A 96 -1.770 16.501 9.310 1.00 25.00 H new ATOM 0 HA LYS A 96 -3.337 18.881 10.350 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -4.117 16.983 8.536 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -4.377 16.054 9.999 1.00 25.00 H new ATOM 0 HG2 LYS A 96 -6.005 17.577 10.841 1.00 25.00 H new ATOM 0 HG3 LYS A 96 -5.430 18.899 9.844 1.00 25.00 H new ATOM 0 HD2 LYS A 96 -6.577 18.164 7.951 1.00 25.00 H new ATOM 0 HD3 LYS A 96 -6.396 16.470 8.363 1.00 25.00 H new ATOM 0 HE2 LYS A 96 -8.011 17.189 10.438 1.00 25.00 H new ATOM 0 HE3 LYS A 96 -8.502 18.430 9.302 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 -9.763 16.369 8.946 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 -8.799 16.708 7.590 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 -8.324 15.505 8.690 1.00 25.00 H new ATOM 1396 N ASP A 97 -1.969 16.467 11.929 1.00 10.00 N ATOM 1397 CA ASP A 97 -1.724 15.940 13.307 1.00 10.00 C ATOM 1398 C ASP A 97 -2.945 15.159 13.793 1.00 10.00 C ATOM 1399 O ASP A 97 -3.191 15.045 14.976 1.00 10.00 O ATOM 1400 CB ASP A 97 -1.502 17.175 14.194 1.00 50.00 C ATOM 1401 CG ASP A 97 -0.806 18.285 13.398 1.00 50.00 C ATOM 1402 OD1 ASP A 97 0.020 17.958 12.562 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -1.114 19.440 13.637 1.00 50.00 O ATOM 0 H ASP A 97 -1.328 16.125 11.213 1.00 10.00 H new ATOM 0 HA ASP A 97 -0.868 15.265 13.334 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -2.458 17.535 14.573 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -0.897 16.905 15.060 1.00 50.00 H new ATOM 1408 N VAL A 98 -3.716 14.626 12.887 1.00 10.00 N ATOM 1409 CA VAL A 98 -4.927 13.862 13.301 1.00 10.00 C ATOM 1410 C VAL A 98 -4.538 12.484 13.844 1.00 10.00 C ATOM 1411 O VAL A 98 -3.774 11.758 13.238 1.00 10.00 O ATOM 1412 CB VAL A 98 -5.756 13.719 12.023 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -6.997 12.871 12.309 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -6.188 15.105 11.537 1.00 50.00 C ATOM 0 H VAL A 98 -3.561 14.686 11.881 1.00 10.00 H new ATOM 0 HA VAL A 98 -5.477 14.366 14.096 1.00 10.00 H new ATOM 0 HB VAL A 98 -5.154 13.234 11.254 1.00 50.00 H new ATOM 0 HG11 VAL A 98 -7.587 12.770 11.398 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -6.691 11.884 12.655 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -7.599 13.355 13.079 1.00 50.00 H new ATOM 0 HG21 VAL A 98 -6.779 15.004 10.627 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -6.788 15.590 12.307 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -5.305 15.710 11.331 1.00 50.00 H new ATOM 1424 N ARG A 99 -5.063 12.120 14.983 1.00 10.00 N ATOM 1425 CA ARG A 99 -4.733 10.790 15.573 1.00 10.00 C ATOM 1426 C ARG A 99 -5.394 10.646 16.948 1.00 10.00 C ATOM 1427 O ARG A 99 -4.876 11.105 17.946 1.00 10.00 O ATOM 1428 CB ARG A 99 -3.210 10.777 15.706 1.00 50.00 C ATOM 1429 CG ARG A 99 -2.673 9.418 15.254 1.00 50.00 C ATOM 1430 CD ARG A 99 -1.478 9.627 14.323 1.00 50.00 C ATOM 1431 NE ARG A 99 -0.313 9.068 15.067 1.00 50.00 N ATOM 1432 CZ ARG A 99 0.439 8.158 14.512 1.00 50.00 C ATOM 1433 NH1 ARG A 99 -0.100 7.077 14.018 1.00 50.00 N ATOM 1434 NH2 ARG A 99 1.731 8.328 14.453 1.00 50.00 N ATOM 0 H ARG A 99 -5.708 12.688 15.532 1.00 10.00 H new ATOM 0 HA ARG A 99 -5.092 9.965 14.957 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -2.774 11.572 15.101 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -2.922 10.969 16.740 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -2.374 8.827 16.120 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -3.455 8.859 14.740 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -1.623 9.114 13.372 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -1.333 10.683 14.097 1.00 50.00 H new ATOM 0 HE ARG A 99 -0.104 9.397 16.010 1.00 50.00 H new ATOM 0 HH11 ARG A 99 -1.110 6.943 14.066 1.00 50.00 H new ATOM 0 HH12 ARG A 99 0.489 6.366 13.584 1.00 50.00 H new ATOM 0 HH21 ARG A 99 2.153 9.172 14.841 1.00 50.00 H new ATOM 0 HH22 ARG A 99 2.320 7.617 14.019 1.00 50.00 H new ATOM 1448 N LEU A 100 -6.536 10.016 17.005 1.00 10.00 N ATOM 1449 CA LEU A 100 -7.230 9.846 18.316 1.00 10.00 C ATOM 1450 C LEU A 100 -6.872 8.491 18.935 1.00 10.00 C ATOM 1451 O LEU A 100 -7.211 8.207 20.068 1.00 10.00 O ATOM 1452 CB LEU A 100 -8.722 9.907 17.984 1.00 10.00 C ATOM 1453 CG LEU A 100 -9.500 10.385 19.212 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -10.880 10.885 18.778 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -9.664 9.225 20.196 1.00 10.00 C ATOM 0 H LEU A 100 -7.019 9.612 16.202 1.00 10.00 H new ATOM 0 HA LEU A 100 -6.941 10.610 19.038 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -8.892 10.584 17.147 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -9.077 8.924 17.676 1.00 10.00 H new ATOM 0 HG LEU A 100 -8.955 11.196 19.695 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -11.435 11.226 19.652 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -10.764 11.712 18.077 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -11.426 10.074 18.295 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -10.218 9.565 21.071 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -10.209 8.413 19.714 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -8.681 8.868 20.505 1.00 10.00 H new ATOM 1467 N THR A 101 -6.192 7.653 18.202 1.00 10.00 N ATOM 1468 CA THR A 101 -5.816 6.319 18.752 1.00 10.00 C ATOM 1469 C THR A 101 -7.003 5.699 19.496 1.00 10.00 C ATOM 1470 O THR A 101 -7.057 5.699 20.710 1.00 10.00 O ATOM 1471 CB THR A 101 -4.662 6.597 19.717 1.00 10.00 C ATOM 1472 OG1 THR A 101 -5.144 7.342 20.826 1.00 10.00 O ATOM 1473 CG2 THR A 101 -3.572 7.392 18.997 1.00 10.00 C ATOM 0 H THR A 101 -5.881 7.833 17.248 1.00 10.00 H new ATOM 0 HA THR A 101 -5.531 5.616 17.969 1.00 10.00 H new ATOM 0 HB THR A 101 -4.245 5.653 20.068 1.00 10.00 H new ATOM 0 HG1 THR A 101 -6.123 7.297 20.850 1.00 10.00 H new ATOM 0 HG21 THR A 101 -2.751 7.589 19.686 1.00 10.00 H new ATOM 0 HG22 THR A 101 -3.203 6.817 18.148 1.00 10.00 H new ATOM 0 HG23 THR A 101 -3.984 8.337 18.644 1.00 10.00 H new ATOM 1481 N CYS A 102 -7.954 5.168 18.776 1.00 10.00 N ATOM 1482 CA CYS A 102 -9.136 4.546 19.441 1.00 10.00 C ATOM 1483 C CYS A 102 -8.833 3.088 19.791 1.00 10.00 C ATOM 1484 O CYS A 102 -9.541 2.463 20.556 1.00 10.00 O ATOM 1485 CB CYS A 102 -10.261 4.627 18.409 1.00 10.00 C ATOM 1486 SG CYS A 102 -10.482 6.347 17.891 1.00 10.00 S ATOM 0 H CYS A 102 -7.964 5.138 17.756 1.00 10.00 H new ATOM 0 HA CYS A 102 -9.401 5.050 20.371 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -10.023 4.004 17.547 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -11.188 4.242 18.835 1.00 10.00 H new ATOM 0 HG CYS A 102 -11.437 6.416 17.012 1.00 10.00 H new ATOM 1491 N ILE A 103 -7.786 2.542 19.236 1.00 10.00 N ATOM 1492 CA ILE A 103 -7.436 1.125 19.535 1.00 10.00 C ATOM 1493 C ILE A 103 -5.916 0.946 19.536 1.00 10.00 C ATOM 1494 O ILE A 103 -5.377 0.123 18.821 1.00 10.00 O ATOM 1495 CB ILE A 103 -8.073 0.315 18.406 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -9.563 0.653 18.311 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -7.907 -1.179 18.696 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -10.237 -0.293 17.316 1.00 50.00 C ATOM 0 H ILE A 103 -7.157 3.016 18.588 1.00 10.00 H new ATOM 0 HA ILE A 103 -7.792 0.807 20.515 1.00 10.00 H new ATOM 0 HB ILE A 103 -7.585 0.560 17.463 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -10.031 0.561 19.291 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -9.693 1.687 17.991 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -8.361 -1.758 17.892 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -6.846 -1.421 18.764 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -8.396 -1.423 19.639 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -11.298 -0.053 17.248 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -9.775 -0.179 16.335 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -10.119 -1.322 17.655 1.00 50.00 H new ATOM 1510 N GLY A 104 -5.221 1.710 20.332 1.00 10.00 N ATOM 1511 CA GLY A 104 -3.737 1.584 20.379 1.00 10.00 C ATOM 1512 C GLY A 104 -3.214 2.202 21.677 1.00 10.00 C ATOM 1513 O GLY A 104 -3.897 2.963 22.333 1.00 10.00 O ATOM 0 H GLY A 104 -5.616 2.417 20.952 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -3.448 0.534 20.321 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -3.291 2.085 19.520 1.00 10.00 H new ATOM 1517 N SER A 105 -2.005 1.883 22.055 1.00 10.00 N ATOM 1518 CA SER A 105 -1.442 2.454 23.312 1.00 10.00 C ATOM 1519 C SER A 105 -0.424 3.551 22.986 1.00 10.00 C ATOM 1520 O SER A 105 0.187 3.539 21.935 1.00 10.00 O ATOM 1521 CB SER A 105 -0.761 1.275 24.013 1.00 10.00 C ATOM 1522 OG SER A 105 0.639 1.503 24.083 1.00 10.00 O ATOM 0 H SER A 105 -1.384 1.252 21.548 1.00 10.00 H new ATOM 0 HA SER A 105 -2.208 2.911 23.938 1.00 10.00 H new ATOM 0 HB2 SER A 105 -1.169 1.151 25.016 1.00 10.00 H new ATOM 0 HB3 SER A 105 -0.962 0.351 23.470 1.00 10.00 H new ATOM 0 HG SER A 105 1.071 0.748 24.533 1.00 10.00 H new ATOM 1528 N PRO A 106 -0.279 4.466 23.905 1.00 10.00 N ATOM 1529 CA PRO A 106 0.674 5.585 23.721 1.00 10.00 C ATOM 1530 C PRO A 106 2.111 5.102 23.939 1.00 10.00 C ATOM 1531 O PRO A 106 2.412 4.443 24.914 1.00 10.00 O ATOM 1532 CB PRO A 106 0.268 6.583 24.801 1.00 10.00 C ATOM 1533 CG PRO A 106 -0.404 5.763 25.860 1.00 10.00 C ATOM 1534 CD PRO A 106 -0.985 4.543 25.189 1.00 10.00 C ATOM 0 HA PRO A 106 0.644 6.013 22.719 1.00 10.00 H new ATOM 0 HB2 PRO A 106 1.137 7.106 25.200 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -0.406 7.341 24.403 1.00 10.00 H new ATOM 0 HG2 PRO A 106 0.310 5.473 26.631 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -1.187 6.340 26.352 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -0.824 3.646 25.786 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -2.061 4.642 25.046 1.00 10.00 H new ATOM 1542 N ALA A 107 3.001 5.422 23.039 1.00 10.00 N ATOM 1543 CA ALA A 107 4.416 4.977 23.201 1.00 10.00 C ATOM 1544 C ALA A 107 5.253 6.089 23.833 1.00 10.00 C ATOM 1545 O ALA A 107 6.064 5.852 24.707 1.00 10.00 O ATOM 1546 CB ALA A 107 4.903 4.677 21.783 1.00 50.00 C ATOM 0 H ALA A 107 2.811 5.971 22.201 1.00 10.00 H new ATOM 0 HA ALA A 107 4.502 4.108 23.853 1.00 10.00 H new ATOM 0 HB1 ALA A 107 5.940 4.343 21.818 1.00 50.00 H new ATOM 0 HB2 ALA A 107 4.284 3.895 21.344 1.00 50.00 H new ATOM 0 HB3 ALA A 107 4.833 5.579 21.176 1.00 50.00 H new ATOM 1552 N ALA A 108 5.066 7.302 23.395 1.00 10.00 N ATOM 1553 CA ALA A 108 5.852 8.433 23.967 1.00 10.00 C ATOM 1554 C ALA A 108 5.384 8.737 25.392 1.00 10.00 C ATOM 1555 O ALA A 108 4.203 8.764 25.677 1.00 10.00 O ATOM 1556 CB ALA A 108 5.567 9.619 23.044 1.00 50.00 C ATOM 0 H ALA A 108 4.402 7.561 22.665 1.00 10.00 H new ATOM 0 HA ALA A 108 6.917 8.208 24.025 1.00 10.00 H new ATOM 0 HB1 ALA A 108 6.111 10.495 23.398 1.00 50.00 H new ATOM 0 HB2 ALA A 108 5.889 9.377 22.031 1.00 50.00 H new ATOM 0 HB3 ALA A 108 4.498 9.831 23.044 1.00 50.00 H new ATOM 1562 N ASP A 109 6.302 8.968 26.291 1.00 50.00 N ATOM 1563 CA ASP A 109 5.912 9.273 27.698 1.00 50.00 C ATOM 1564 C ASP A 109 5.052 10.538 27.745 1.00 50.00 C ATOM 1565 O ASP A 109 4.136 10.651 28.537 1.00 50.00 O ATOM 1566 CB ASP A 109 7.232 9.493 28.436 1.00 50.00 C ATOM 1567 CG ASP A 109 8.099 10.476 27.647 1.00 50.00 C ATOM 1568 OD1 ASP A 109 7.695 11.619 27.517 1.00 50.00 O ATOM 1569 OD2 ASP A 109 9.153 10.068 27.186 1.00 50.00 O ATOM 0 H ASP A 109 7.306 8.959 26.112 1.00 50.00 H new ATOM 0 HA ASP A 109 5.324 8.473 28.147 1.00 50.00 H new ATOM 0 HB2 ASP A 109 7.041 9.881 29.436 1.00 50.00 H new ATOM 0 HB3 ASP A 109 7.756 8.545 28.557 1.00 50.00 H new ATOM 1574 N GLU A 110 5.337 11.489 26.900 1.00 10.00 N ATOM 1575 CA GLU A 110 4.536 12.747 26.892 1.00 10.00 C ATOM 1576 C GLU A 110 3.996 13.013 25.485 1.00 10.00 C ATOM 1577 O GLU A 110 4.732 13.370 24.586 1.00 10.00 O ATOM 1578 CB GLU A 110 5.515 13.844 27.311 1.00 10.00 C ATOM 1579 CG GLU A 110 5.760 13.758 28.819 1.00 10.00 C ATOM 1580 CD GLU A 110 7.120 14.374 29.152 1.00 50.00 C ATOM 1581 OE1 GLU A 110 7.410 15.437 28.627 1.00 50.00 O ATOM 1582 OE2 GLU A 110 7.847 13.774 29.926 1.00 50.00 O ATOM 0 H GLU A 110 6.090 11.450 26.214 1.00 10.00 H new ATOM 0 HA GLU A 110 3.676 12.697 27.560 1.00 10.00 H new ATOM 0 HB2 GLU A 110 6.456 13.733 26.772 1.00 10.00 H new ATOM 0 HB3 GLU A 110 5.113 14.824 27.052 1.00 10.00 H new ATOM 0 HG2 GLU A 110 4.970 14.282 29.357 1.00 10.00 H new ATOM 0 HG3 GLU A 110 5.731 12.718 29.144 1.00 10.00 H new ATOM 1589 N VAL A 111 2.719 12.835 25.285 1.00 10.00 N ATOM 1590 CA VAL A 111 2.138 13.071 23.931 1.00 10.00 C ATOM 1591 C VAL A 111 1.120 14.213 23.975 1.00 10.00 C ATOM 1592 O VAL A 111 0.150 14.166 24.704 1.00 10.00 O ATOM 1593 CB VAL A 111 1.448 11.757 23.565 1.00 12.50 C ATOM 1594 CG1 VAL A 111 0.810 11.882 22.181 1.00 12.50 C ATOM 1595 CG2 VAL A 111 2.480 10.627 23.551 1.00 12.50 C ATOM 0 H VAL A 111 2.053 12.537 25.998 1.00 10.00 H new ATOM 0 HA VAL A 111 2.898 13.355 23.203 1.00 10.00 H new ATOM 0 HB VAL A 111 0.675 11.536 24.301 1.00 12.50 H new ATOM 0 HG11 VAL A 111 0.318 10.945 21.921 1.00 12.50 H new ATOM 0 HG12 VAL A 111 0.075 12.687 22.191 1.00 12.50 H new ATOM 0 HG13 VAL A 111 1.581 12.104 21.443 1.00 12.50 H new ATOM 0 HG21 VAL A 111 1.989 9.689 23.290 1.00 12.50 H new ATOM 0 HG22 VAL A 111 3.253 10.849 22.815 1.00 12.50 H new ATOM 0 HG23 VAL A 111 2.934 10.537 24.538 1.00 12.50 H new ATOM 1605 N LYS A 112 1.331 15.236 23.191 1.00 10.00 N ATOM 1606 CA LYS A 112 0.372 16.377 23.178 1.00 10.00 C ATOM 1607 C LYS A 112 -0.682 16.150 22.089 1.00 10.00 C ATOM 1608 O LYS A 112 -0.376 15.685 21.010 1.00 10.00 O ATOM 1609 CB LYS A 112 1.222 17.608 22.864 1.00 25.00 C ATOM 1610 CG LYS A 112 2.389 17.689 23.851 1.00 25.00 C ATOM 1611 CD LYS A 112 3.268 18.893 23.506 1.00 25.00 C ATOM 1612 CE LYS A 112 3.745 19.565 24.798 1.00 25.00 C ATOM 1613 NZ LYS A 112 4.829 20.500 24.376 1.00 25.00 N ATOM 0 H LYS A 112 2.126 15.330 22.559 1.00 10.00 H new ATOM 0 HA LYS A 112 -0.161 16.490 24.122 1.00 10.00 H new ATOM 0 HB2 LYS A 112 1.599 17.552 21.843 1.00 25.00 H new ATOM 0 HB3 LYS A 112 0.613 18.510 22.930 1.00 25.00 H new ATOM 0 HG2 LYS A 112 2.012 17.781 24.870 1.00 25.00 H new ATOM 0 HG3 LYS A 112 2.977 16.772 23.811 1.00 25.00 H new ATOM 0 HD2 LYS A 112 4.124 18.573 22.912 1.00 25.00 H new ATOM 0 HD3 LYS A 112 2.707 19.604 22.899 1.00 25.00 H new ATOM 0 HE2 LYS A 112 2.931 20.101 25.287 1.00 25.00 H new ATOM 0 HE3 LYS A 112 4.116 18.829 25.511 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 5.204 20.996 25.210 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 5.594 19.962 23.920 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 4.446 21.194 23.703 1.00 25.00 H new ATOM 1627 N ILE A 113 -1.917 16.466 22.364 1.00 10.00 N ATOM 1628 CA ILE A 113 -2.983 16.262 21.341 1.00 10.00 C ATOM 1629 C ILE A 113 -4.210 17.120 21.663 1.00 10.00 C ATOM 1630 O ILE A 113 -4.482 17.429 22.806 1.00 10.00 O ATOM 1631 CB ILE A 113 -3.324 14.772 21.423 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -4.330 14.410 20.320 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -3.910 14.453 22.804 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -5.758 14.760 20.758 1.00 10.00 C ATOM 0 H ILE A 113 -2.235 16.856 23.251 1.00 10.00 H new ATOM 0 HA ILE A 113 -2.658 16.553 20.342 1.00 10.00 H new ATOM 0 HB ILE A 113 -2.418 14.183 21.280 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -4.083 14.946 19.404 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -4.263 13.346 20.094 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -4.152 13.392 22.860 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -3.180 14.700 23.575 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -4.815 15.040 22.960 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -6.457 14.497 19.964 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -6.008 14.203 21.661 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -5.825 15.829 20.960 1.00 10.00 H new ATOM 1646 N VAL A 114 -4.957 17.498 20.662 1.00 10.00 N ATOM 1647 CA VAL A 114 -6.174 18.327 20.903 1.00 10.00 C ATOM 1648 C VAL A 114 -7.429 17.477 20.684 1.00 10.00 C ATOM 1649 O VAL A 114 -7.614 16.888 19.637 1.00 10.00 O ATOM 1650 CB VAL A 114 -6.099 19.452 19.869 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -7.214 20.465 20.134 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -4.741 20.151 19.971 1.00 50.00 C ATOM 0 H VAL A 114 -4.777 17.268 19.685 1.00 10.00 H new ATOM 0 HA VAL A 114 -6.221 18.716 21.920 1.00 10.00 H new ATOM 0 HB VAL A 114 -6.218 19.033 18.870 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -7.160 21.266 19.397 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -8.182 19.969 20.060 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -7.096 20.883 21.134 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -4.688 20.952 19.234 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -4.621 20.569 20.971 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -3.946 19.430 19.781 1.00 50.00 H new ATOM 1662 N TYR A 115 -8.289 17.400 21.665 1.00 10.00 N ATOM 1663 CA TYR A 115 -9.524 16.575 21.508 1.00 10.00 C ATOM 1664 C TYR A 115 -10.659 17.410 20.898 1.00 10.00 C ATOM 1665 O TYR A 115 -10.591 18.622 20.841 1.00 10.00 O ATOM 1666 CB TYR A 115 -9.858 16.093 22.936 1.00 50.00 C ATOM 1667 CG TYR A 115 -10.986 16.904 23.540 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -10.771 18.234 23.925 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -12.248 16.321 23.712 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -11.818 18.979 24.481 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -13.293 17.066 24.268 1.00 50.00 C ATOM 1672 CZ TYR A 115 -13.079 18.395 24.652 1.00 50.00 C ATOM 1673 OH TYR A 115 -14.111 19.130 25.199 1.00 50.00 O ATOM 0 H TYR A 115 -8.191 17.870 22.565 1.00 10.00 H new ATOM 0 HA TYR A 115 -9.386 15.734 20.829 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -10.137 15.040 22.911 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -8.972 16.173 23.566 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -9.798 18.684 23.793 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -12.414 15.296 23.415 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -11.653 20.004 24.778 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -14.266 16.616 24.401 1.00 50.00 H new ATOM 0 HH TYR A 115 -13.743 19.836 25.770 1.00 50.00 H new ATOM 1683 N ASN A 116 -11.702 16.765 20.445 1.00 10.00 N ATOM 1684 CA ASN A 116 -12.846 17.512 19.842 1.00 10.00 C ATOM 1685 C ASN A 116 -12.438 18.129 18.501 1.00 10.00 C ATOM 1686 O ASN A 116 -12.743 19.271 18.215 1.00 10.00 O ATOM 1687 CB ASN A 116 -13.189 18.607 20.852 1.00 10.00 C ATOM 1688 CG ASN A 116 -14.692 18.586 21.139 1.00 10.00 C ATOM 1689 OD1 ASN A 116 -15.446 17.938 20.442 1.00 10.00 O ATOM 1690 ND2 ASN A 116 -15.162 19.275 22.143 1.00 10.00 N ATOM 0 H ASN A 116 -11.811 15.751 20.467 1.00 10.00 H new ATOM 0 HA ASN A 116 -13.697 16.860 19.643 1.00 10.00 H new ATOM 0 HB2 ASN A 116 -12.630 18.453 21.775 1.00 10.00 H new ATOM 0 HB3 ASN A 116 -12.896 19.581 20.461 1.00 10.00 H new ATOM 0 HD21 ASN A 116 -16.162 19.269 22.342 1.00 10.00 H new ATOM 0 HD22 ASN A 116 -14.529 19.819 22.729 1.00 10.00 H new ATOM 1697 N ALA A 117 -11.754 17.385 17.674 1.00 10.00 N ATOM 1698 CA ALA A 117 -11.334 17.936 16.353 1.00 10.00 C ATOM 1699 C ALA A 117 -12.563 18.188 15.473 1.00 10.00 C ATOM 1700 O ALA A 117 -12.472 18.782 14.417 1.00 10.00 O ATOM 1701 CB ALA A 117 -10.447 16.854 15.737 1.00 50.00 C ATOM 0 H ALA A 117 -11.469 16.423 17.855 1.00 10.00 H new ATOM 0 HA ALA A 117 -10.810 18.887 16.448 1.00 10.00 H new ATOM 0 HB1 ALA A 117 -10.096 17.184 14.759 1.00 50.00 H new ATOM 0 HB2 ALA A 117 -9.591 16.671 16.387 1.00 50.00 H new ATOM 0 HB3 ALA A 117 -11.020 15.934 15.625 1.00 50.00 H new ATOM 1707 N LYS A 118 -13.713 17.741 15.902 1.00 12.50 N ATOM 1708 CA LYS A 118 -14.947 17.956 15.092 1.00 12.50 C ATOM 1709 C LYS A 118 -15.205 19.455 14.913 1.00 12.50 C ATOM 1710 O LYS A 118 -15.931 19.871 14.032 1.00 12.50 O ATOM 1711 CB LYS A 118 -16.071 17.308 15.905 1.00 12.50 C ATOM 1712 CG LYS A 118 -16.416 18.196 17.104 1.00 12.50 C ATOM 1713 CD LYS A 118 -17.581 17.578 17.882 1.00 12.50 C ATOM 1714 CE LYS A 118 -18.692 17.178 16.909 1.00 50.00 C ATOM 1715 NZ LYS A 118 -19.959 17.558 17.595 1.00 50.00 N ATOM 0 H LYS A 118 -13.851 17.237 16.778 1.00 12.50 H new ATOM 0 HA LYS A 118 -14.868 17.527 14.093 1.00 12.50 H new ATOM 0 HB2 LYS A 118 -16.952 17.167 15.279 1.00 12.50 H new ATOM 0 HB3 LYS A 118 -15.763 16.320 16.248 1.00 12.50 H new ATOM 0 HG2 LYS A 118 -15.547 18.301 17.753 1.00 12.50 H new ATOM 0 HG3 LYS A 118 -16.683 19.197 16.764 1.00 12.50 H new ATOM 0 HD2 LYS A 118 -17.238 16.705 18.437 1.00 12.50 H new ATOM 0 HD3 LYS A 118 -17.963 18.291 18.613 1.00 12.50 H new ATOM 0 HE2 LYS A 118 -18.588 17.697 15.956 1.00 50.00 H new ATOM 0 HE3 LYS A 118 -18.664 16.110 16.695 1.00 50.00 H new ATOM 0 HZ1 LYS A 118 -20.768 17.315 16.989 1.00 50.00 H new ATOM 0 HZ2 LYS A 118 -20.034 17.044 18.496 1.00 50.00 H new ATOM 0 HZ3 LYS A 118 -19.960 18.581 17.780 1.00 50.00 H new ATOM 1726 N HIS A 119 -14.617 20.270 15.746 1.00 50.00 N ATOM 1727 CA HIS A 119 -14.829 21.740 15.627 1.00 50.00 C ATOM 1728 C HIS A 119 -14.092 22.286 14.400 1.00 50.00 C ATOM 1729 O HIS A 119 -14.433 23.325 13.872 1.00 50.00 O ATOM 1730 CB HIS A 119 -14.245 22.328 16.911 1.00 50.00 C ATOM 1731 CG HIS A 119 -15.038 21.841 18.094 1.00 50.00 C ATOM 1732 ND1 HIS A 119 -16.419 21.950 18.154 1.00 50.00 N ATOM 1733 CD2 HIS A 119 -14.659 21.239 19.269 1.00 50.00 C ATOM 1734 CE1 HIS A 119 -16.817 21.428 19.328 1.00 50.00 C ATOM 1735 NE2 HIS A 119 -15.784 20.980 20.046 1.00 50.00 N ATOM 0 H HIS A 119 -13.999 19.981 16.504 1.00 50.00 H new ATOM 0 HA HIS A 119 -15.881 21.997 15.502 1.00 50.00 H new ATOM 0 HB2 HIS A 119 -13.200 22.035 17.015 1.00 50.00 H new ATOM 0 HB3 HIS A 119 -14.268 23.417 16.868 1.00 50.00 H new ATOM 0 HD1 HIS A 119 -17.023 22.353 17.438 1.00 50.00 H new ATOM 0 HD2 HIS A 119 -13.643 21.003 19.547 1.00 50.00 H new ATOM 0 HE1 HIS A 119 -17.846 21.377 19.651 1.00 50.00 H new ATOM 1743 N LEU A 120 -13.082 21.594 13.944 1.00 12.50 N ATOM 1744 CA LEU A 120 -12.326 22.080 12.753 1.00 12.50 C ATOM 1745 C LEU A 120 -13.293 22.596 11.684 1.00 12.50 C ATOM 1746 O LEU A 120 -14.220 21.916 11.290 1.00 12.50 O ATOM 1747 CB LEU A 120 -11.563 20.858 12.238 1.00 12.50 C ATOM 1748 CG LEU A 120 -10.080 21.208 12.095 1.00 12.50 C ATOM 1749 CD1 LEU A 120 -9.238 19.941 12.257 1.00 12.50 C ATOM 1750 CD2 LEU A 120 -9.829 21.813 10.713 1.00 12.50 C ATOM 0 H LEU A 120 -12.749 20.716 14.343 1.00 12.50 H new ATOM 0 HA LEU A 120 -11.657 22.904 13.001 1.00 12.50 H new ATOM 0 HB2 LEU A 120 -11.686 20.022 12.927 1.00 12.50 H new ATOM 0 HB3 LEU A 120 -11.968 20.541 11.277 1.00 12.50 H new ATOM 0 HG LEU A 120 -9.802 21.929 12.863 1.00 12.50 H new ATOM 0 HD11 LEU A 120 -8.182 20.191 12.155 1.00 12.50 H new ATOM 0 HD12 LEU A 120 -9.416 19.510 13.242 1.00 12.50 H new ATOM 0 HD13 LEU A 120 -9.516 19.219 11.489 1.00 12.50 H new ATOM 0 HD21 LEU A 120 -8.773 22.062 10.611 1.00 12.50 H new ATOM 0 HD22 LEU A 120 -10.107 21.092 9.944 1.00 12.50 H new ATOM 0 HD23 LEU A 120 -10.428 22.716 10.597 1.00 12.50 H new