USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 772 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 56 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 100 TYR OH : rot 165:sc= -0.236 USER MOD Set 2.1: A 32 TYR OH : rot 30:sc= -1.22 USER MOD Set 2.2: A 40 TYR OH : rot -70:sc= -0.206! USER MOD Single : A 17 ASN :FLIP amide:sc= -0.287 F(o=-2,f=-0.29) USER MOD Single : A 22 GLN : amide:sc= -0.0828 K(o=-0.083,f=-3.4!) USER MOD Single : A 26 GLN : amide:sc= -0.0156 X(o=-0.016,f=0) USER MOD Single : A 33 ASN : amide:sc= -2.13! C(o=-2.1!,f=-6.2!) USER MOD Single : A 36 SER OG : rot 180:sc= 0.813 USER MOD Single : A 37 ASN : amide:sc= -2.45! C(o=-2.4!,f=-2.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -166:sc= -1.54! USER MOD Single : A 49 SER OG : rot 174:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -138:sc= -0.0423 (180deg=-1.45!) USER MOD Single : A 53 GLN : amide:sc= -2.15! C(o=-2.1!,f=-4.2!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.317 USER MOD Single : A 63 GLN : amide:sc= -10.6! C(o=-11!,f=-12!) USER MOD Single : A 69 THR OG1 : rot -58:sc= 1.14 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -4.83! USER MOD Single : A 106 ASN : amide:sc= -0.0423 K(o=-0.042,f=-2.1!) USER MOD Single : A 107 GLN : amide:sc= -0.0866 K(o=-0.087,f=-1.6) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 44:sc= 0.619 USER MOD Single : A 114 LYS NZ :NH3+ 150:sc= -0.0332 (180deg=-0.389) USER MOD Single : A 116 GLN : amide:sc= -0.109 K(o=-0.11,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 17 N PRO A 11 -8.529 9.267 14.413 1.00 0.00 N ATOM 18 CA PRO A 11 -7.432 8.784 13.516 1.00 0.00 C ATOM 19 C PRO A 11 -6.246 8.276 14.342 1.00 0.00 C ATOM 20 O PRO A 11 -5.613 9.023 15.060 1.00 0.00 O ATOM 21 CB PRO A 11 -7.050 10.026 12.724 1.00 0.00 C ATOM 22 CG PRO A 11 -7.466 11.227 13.561 1.00 0.00 C ATOM 23 CD PRO A 11 -8.602 10.768 14.478 1.00 0.00 C ATOM 0 HA PRO A 11 -7.733 7.952 12.879 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.978 10.045 12.528 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.552 10.037 11.756 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.625 11.598 14.147 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.795 12.046 12.922 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.466 11.132 15.497 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.568 11.137 14.134 1.00 0.00 H new ATOM 31 N VAL A 12 -5.938 7.012 14.240 1.00 0.00 N ATOM 32 CA VAL A 12 -4.803 6.450 15.002 1.00 0.00 C ATOM 33 C VAL A 12 -3.667 6.157 14.019 1.00 0.00 C ATOM 34 O VAL A 12 -3.731 5.189 13.294 1.00 0.00 O ATOM 35 CB VAL A 12 -5.260 5.136 15.642 1.00 0.00 C ATOM 36 CG1 VAL A 12 -4.042 4.388 16.168 1.00 0.00 C ATOM 37 CG2 VAL A 12 -6.249 5.391 16.791 1.00 0.00 C ATOM 0 H VAL A 12 -6.434 6.342 13.652 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.466 7.145 15.771 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.770 4.539 14.886 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.360 3.451 16.625 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.361 4.177 15.344 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.532 5.000 16.912 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.555 4.439 17.225 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.769 6.001 17.556 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.125 5.914 16.408 1.00 0.00 H new ATOM 47 N PRO A 13 -2.662 6.994 14.008 1.00 0.00 N ATOM 48 CA PRO A 13 -1.499 6.829 13.086 1.00 0.00 C ATOM 49 C PRO A 13 -0.693 5.582 13.447 1.00 0.00 C ATOM 50 O PRO A 13 -0.679 5.137 14.578 1.00 0.00 O ATOM 51 CB PRO A 13 -0.700 8.111 13.288 1.00 0.00 C ATOM 52 CG PRO A 13 -1.094 8.654 14.652 1.00 0.00 C ATOM 53 CD PRO A 13 -2.527 8.188 14.909 1.00 0.00 C ATOM 0 HA PRO A 13 -1.787 6.686 12.045 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.371 7.912 13.244 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.922 8.834 12.503 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.421 8.284 15.426 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.031 9.742 14.669 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.684 7.924 15.955 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.253 8.963 14.663 1.00 0.00 H new ATOM 61 N VAL A 14 -0.042 5.007 12.478 1.00 0.00 N ATOM 62 CA VAL A 14 0.746 3.772 12.728 1.00 0.00 C ATOM 63 C VAL A 14 2.184 4.128 13.104 1.00 0.00 C ATOM 64 O VAL A 14 2.664 5.216 12.854 1.00 0.00 O ATOM 65 CB VAL A 14 0.720 2.915 11.453 1.00 0.00 C ATOM 66 CG1 VAL A 14 1.970 2.041 11.342 1.00 0.00 C ATOM 67 CG2 VAL A 14 -0.516 2.017 11.473 1.00 0.00 C ATOM 0 H VAL A 14 -0.022 5.343 11.515 1.00 0.00 H new ATOM 0 HA VAL A 14 0.312 3.214 13.557 1.00 0.00 H new ATOM 0 HB VAL A 14 0.692 3.586 10.594 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.919 1.448 10.429 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.856 2.675 11.314 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.027 1.376 12.204 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.538 1.407 10.570 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.480 1.368 12.348 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.413 2.634 11.516 1.00 0.00 H new ATOM 77 N ASP A 15 2.866 3.196 13.700 1.00 0.00 N ATOM 78 CA ASP A 15 4.280 3.424 14.109 1.00 0.00 C ATOM 79 C ASP A 15 4.984 2.071 14.189 1.00 0.00 C ATOM 80 O ASP A 15 4.360 1.030 14.115 1.00 0.00 O ATOM 81 CB ASP A 15 4.341 4.110 15.481 1.00 0.00 C ATOM 82 CG ASP A 15 2.963 4.661 15.863 1.00 0.00 C ATOM 83 OD1 ASP A 15 2.061 3.864 16.056 1.00 0.00 O ATOM 84 OD2 ASP A 15 2.835 5.872 15.954 1.00 0.00 O ATOM 0 H ASP A 15 2.500 2.271 13.926 1.00 0.00 H new ATOM 0 HA ASP A 15 4.768 4.068 13.378 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.678 3.399 16.236 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.070 4.920 15.458 1.00 0.00 H new ATOM 89 N GLU A 16 6.275 2.072 14.337 1.00 0.00 N ATOM 90 CA GLU A 16 7.017 0.780 14.421 1.00 0.00 C ATOM 91 C GLU A 16 6.575 -0.154 13.285 1.00 0.00 C ATOM 92 O GLU A 16 6.733 -1.355 13.369 1.00 0.00 O ATOM 93 CB GLU A 16 6.724 0.113 15.767 1.00 0.00 C ATOM 94 CG GLU A 16 7.186 1.031 16.901 1.00 0.00 C ATOM 95 CD GLU A 16 7.355 0.212 18.183 1.00 0.00 C ATOM 96 OE1 GLU A 16 8.442 -0.302 18.394 1.00 0.00 O ATOM 97 OE2 GLU A 16 6.396 0.113 18.929 1.00 0.00 O ATOM 0 H GLU A 16 6.853 2.910 14.404 1.00 0.00 H new ATOM 0 HA GLU A 16 8.086 0.975 14.330 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.657 -0.090 15.860 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.237 -0.847 15.829 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.129 1.509 16.635 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.458 1.827 17.058 1.00 0.00 H new ATOM 104 N ASN A 17 6.024 0.391 12.225 1.00 0.00 N ATOM 105 CA ASN A 17 5.572 -0.449 11.073 1.00 0.00 C ATOM 106 C ASN A 17 4.165 -0.992 11.323 1.00 0.00 C ATOM 107 O ASN A 17 3.414 -1.241 10.400 1.00 0.00 O ATOM 108 CB ASN A 17 6.541 -1.615 10.864 1.00 0.00 C ATOM 109 CG ASN A 17 6.823 -1.781 9.368 1.00 0.00 C ATOM 110 OD1 ASN A 17 5.922 -1.403 8.502 1.00 0.00 O flip ATOM 111 ND2 ASN A 17 7.872 -2.258 8.986 1.00 0.00 N flip ATOM 0 H ASN A 17 5.868 1.392 12.110 1.00 0.00 H new ATOM 0 HA ASN A 17 5.555 0.174 10.179 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.471 -1.430 11.402 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.115 -2.533 11.269 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.575 -2.553 9.664 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.050 -2.364 7.987 1.00 0.00 H new ATOM 118 N ASP A 18 3.801 -1.184 12.556 1.00 0.00 N ATOM 119 CA ASP A 18 2.446 -1.718 12.857 1.00 0.00 C ATOM 120 C ASP A 18 2.169 -2.911 11.949 1.00 0.00 C ATOM 121 O ASP A 18 1.620 -2.767 10.875 1.00 0.00 O ATOM 122 CB ASP A 18 1.389 -0.640 12.617 1.00 0.00 C ATOM 123 CG ASP A 18 -0.003 -1.261 12.768 1.00 0.00 C ATOM 124 OD1 ASP A 18 -0.123 -2.224 13.506 1.00 0.00 O ATOM 125 OD2 ASP A 18 -0.924 -0.765 12.140 1.00 0.00 O ATOM 0 H ASP A 18 4.384 -0.994 13.371 1.00 0.00 H new ATOM 0 HA ASP A 18 2.404 -2.026 13.902 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.516 0.176 13.328 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.505 -0.215 11.620 1.00 0.00 H new ATOM 130 N GLU A 19 2.554 -4.082 12.375 1.00 0.00 N ATOM 131 CA GLU A 19 2.325 -5.304 11.549 1.00 0.00 C ATOM 132 C GLU A 19 0.972 -5.205 10.840 1.00 0.00 C ATOM 133 O GLU A 19 0.806 -5.667 9.728 1.00 0.00 O ATOM 134 CB GLU A 19 2.337 -6.541 12.451 1.00 0.00 C ATOM 135 CG GLU A 19 1.435 -6.297 13.662 1.00 0.00 C ATOM 136 CD GLU A 19 0.237 -7.245 13.605 1.00 0.00 C ATOM 137 OE1 GLU A 19 0.420 -8.374 13.180 1.00 0.00 O ATOM 138 OE2 GLU A 19 -0.844 -6.828 13.988 1.00 0.00 O ATOM 0 H GLU A 19 3.021 -4.247 13.267 1.00 0.00 H new ATOM 0 HA GLU A 19 3.117 -5.387 10.805 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.991 -7.413 11.896 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.354 -6.755 12.779 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.995 -6.456 14.584 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.093 -5.262 13.672 1.00 0.00 H new ATOM 145 N GLY A 20 0.007 -4.593 11.470 1.00 0.00 N ATOM 146 CA GLY A 20 -1.329 -4.452 10.828 1.00 0.00 C ATOM 147 C GLY A 20 -1.190 -3.578 9.581 1.00 0.00 C ATOM 148 O GLY A 20 -1.555 -3.969 8.488 1.00 0.00 O ATOM 0 H GLY A 20 0.087 -4.185 12.401 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.723 -5.432 10.559 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.037 -4.004 11.525 1.00 0.00 H new ATOM 152 N LEU A 21 -0.652 -2.399 9.733 1.00 0.00 N ATOM 153 CA LEU A 21 -0.478 -1.502 8.558 1.00 0.00 C ATOM 154 C LEU A 21 0.364 -2.220 7.503 1.00 0.00 C ATOM 155 O LEU A 21 0.231 -1.975 6.323 1.00 0.00 O ATOM 156 CB LEU A 21 0.226 -0.216 8.998 1.00 0.00 C ATOM 157 CG LEU A 21 0.741 0.536 7.770 1.00 0.00 C ATOM 158 CD1 LEU A 21 -0.434 0.884 6.856 1.00 0.00 C ATOM 159 CD2 LEU A 21 1.440 1.822 8.215 1.00 0.00 C ATOM 0 H LEU A 21 -0.325 -2.019 10.621 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.451 -1.249 8.137 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.464 0.414 9.559 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.055 -0.454 9.665 1.00 0.00 H new ATOM 0 HG LEU A 21 1.448 -0.093 7.229 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.068 1.420 5.981 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.932 -0.032 6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.142 1.513 7.396 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.807 2.358 7.340 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.734 2.451 8.756 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.278 1.574 8.866 1.00 0.00 H new ATOM 171 N GLN A 22 1.225 -3.113 7.916 1.00 0.00 N ATOM 172 CA GLN A 22 2.059 -3.845 6.923 1.00 0.00 C ATOM 173 C GLN A 22 1.153 -4.719 6.059 1.00 0.00 C ATOM 174 O GLN A 22 1.266 -4.745 4.851 1.00 0.00 O ATOM 175 CB GLN A 22 3.087 -4.716 7.642 1.00 0.00 C ATOM 176 CG GLN A 22 4.264 -3.847 8.091 1.00 0.00 C ATOM 177 CD GLN A 22 5.402 -4.745 8.583 1.00 0.00 C ATOM 178 OE1 GLN A 22 5.295 -5.364 9.623 1.00 0.00 O ATOM 179 NE2 GLN A 22 6.492 -4.844 7.873 1.00 0.00 N ATOM 0 H GLN A 22 1.385 -3.365 8.891 1.00 0.00 H new ATOM 0 HA GLN A 22 2.587 -3.129 6.294 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.629 -5.201 8.504 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.437 -5.507 6.979 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.608 -3.226 7.264 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.949 -3.172 8.887 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.581 -4.324 7.000 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.255 -5.441 8.191 1.00 0.00 H new ATOM 188 N ARG A 23 0.239 -5.418 6.670 1.00 0.00 N ATOM 189 CA ARG A 23 -0.692 -6.269 5.878 1.00 0.00 C ATOM 190 C ARG A 23 -1.562 -5.356 5.015 1.00 0.00 C ATOM 191 O ARG A 23 -2.150 -5.774 4.037 1.00 0.00 O ATOM 192 CB ARG A 23 -1.577 -7.082 6.826 1.00 0.00 C ATOM 193 CG ARG A 23 -0.723 -8.118 7.558 1.00 0.00 C ATOM 194 CD ARG A 23 -1.605 -8.921 8.517 1.00 0.00 C ATOM 195 NE ARG A 23 -2.906 -9.221 7.858 1.00 0.00 N ATOM 196 CZ ARG A 23 -2.935 -9.923 6.758 1.00 0.00 C ATOM 197 NH1 ARG A 23 -2.159 -10.965 6.629 1.00 0.00 N ATOM 198 NH2 ARG A 23 -3.737 -9.582 5.787 1.00 0.00 N ATOM 0 H ARG A 23 0.096 -5.437 7.680 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.129 -6.956 5.246 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.062 -6.421 7.545 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.369 -7.579 6.265 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.247 -8.785 6.840 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.075 -7.622 8.110 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.105 -9.848 8.799 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.771 -8.357 9.435 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.775 -8.878 8.266 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.531 -11.230 7.388 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.181 -11.514 5.770 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.342 -8.767 5.887 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.759 -10.131 4.928 1.00 0.00 H new ATOM 212 N ALA A 24 -1.633 -4.101 5.371 1.00 0.00 N ATOM 213 CA ALA A 24 -2.444 -3.134 4.583 1.00 0.00 C ATOM 214 C ALA A 24 -1.697 -2.796 3.302 1.00 0.00 C ATOM 215 O ALA A 24 -2.229 -2.890 2.212 1.00 0.00 O ATOM 216 CB ALA A 24 -2.662 -1.860 5.400 1.00 0.00 C ATOM 0 H ALA A 24 -1.159 -3.703 6.182 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.412 -3.573 4.343 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.256 -1.153 4.821 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.188 -2.105 6.323 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.698 -1.412 5.640 1.00 0.00 H new ATOM 222 N LEU A 25 -0.462 -2.408 3.419 1.00 0.00 N ATOM 223 CA LEU A 25 0.320 -2.073 2.221 1.00 0.00 C ATOM 224 C LEU A 25 0.436 -3.303 1.327 1.00 0.00 C ATOM 225 O LEU A 25 0.406 -3.210 0.130 1.00 0.00 O ATOM 226 CB LEU A 25 1.696 -1.629 2.681 1.00 0.00 C ATOM 227 CG LEU A 25 2.607 -1.424 1.467 1.00 0.00 C ATOM 228 CD1 LEU A 25 3.385 -0.116 1.627 1.00 0.00 C ATOM 229 CD2 LEU A 25 3.587 -2.594 1.362 1.00 0.00 C ATOM 0 H LEU A 25 0.036 -2.310 4.304 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.162 -1.279 1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.618 -0.702 3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.126 -2.377 3.348 1.00 0.00 H new ATOM 0 HG LEU A 25 2.002 -1.376 0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.033 0.030 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.686 0.717 1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.991 -0.162 2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.236 -2.449 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.193 -2.643 2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.031 -3.525 1.246 1.00 0.00 H new ATOM 241 N GLN A 26 0.579 -4.451 1.900 1.00 0.00 N ATOM 242 CA GLN A 26 0.713 -5.683 1.069 1.00 0.00 C ATOM 243 C GLN A 26 -0.610 -6.024 0.371 1.00 0.00 C ATOM 244 O GLN A 26 -0.626 -6.534 -0.732 1.00 0.00 O ATOM 245 CB GLN A 26 1.140 -6.854 1.958 1.00 0.00 C ATOM 246 CG GLN A 26 1.600 -8.020 1.082 1.00 0.00 C ATOM 247 CD GLN A 26 1.503 -9.324 1.876 1.00 0.00 C ATOM 248 OE1 GLN A 26 2.507 -9.916 2.221 1.00 0.00 O ATOM 249 NE2 GLN A 26 0.328 -9.799 2.186 1.00 0.00 N ATOM 0 H GLN A 26 0.610 -4.600 2.909 1.00 0.00 H new ATOM 0 HA GLN A 26 1.468 -5.502 0.304 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.947 -6.544 2.622 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.309 -7.166 2.590 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.983 -8.081 0.186 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.626 -7.858 0.752 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.515 -9.303 1.897 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.253 -10.666 2.717 1.00 0.00 H new ATOM 258 N PHE A 27 -1.711 -5.755 1.005 1.00 0.00 N ATOM 259 CA PHE A 27 -3.035 -6.073 0.389 1.00 0.00 C ATOM 260 C PHE A 27 -3.295 -5.161 -0.808 1.00 0.00 C ATOM 261 O PHE A 27 -3.537 -5.601 -1.921 1.00 0.00 O ATOM 262 CB PHE A 27 -4.105 -5.832 1.442 1.00 0.00 C ATOM 263 CG PHE A 27 -5.435 -6.418 1.030 1.00 0.00 C ATOM 264 CD1 PHE A 27 -5.614 -6.963 -0.248 1.00 0.00 C ATOM 265 CD2 PHE A 27 -6.503 -6.396 1.936 1.00 0.00 C ATOM 266 CE1 PHE A 27 -6.861 -7.485 -0.613 1.00 0.00 C ATOM 267 CE2 PHE A 27 -7.745 -6.919 1.572 1.00 0.00 C ATOM 268 CZ PHE A 27 -7.926 -7.463 0.297 1.00 0.00 C ATOM 0 H PHE A 27 -1.757 -5.326 1.929 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.048 -7.108 0.046 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.790 -6.272 2.388 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.216 -4.761 1.610 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.793 -6.981 -0.949 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.365 -5.973 2.920 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.002 -7.905 -1.598 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.565 -6.903 2.275 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.887 -7.866 0.013 1.00 0.00 H new ATOM 278 N ALA A 28 -3.256 -3.893 -0.574 1.00 0.00 N ATOM 279 CA ALA A 28 -3.516 -2.915 -1.662 1.00 0.00 C ATOM 280 C ALA A 28 -2.392 -2.936 -2.692 1.00 0.00 C ATOM 281 O ALA A 28 -2.636 -3.002 -3.874 1.00 0.00 O ATOM 282 CB ALA A 28 -3.617 -1.527 -1.061 1.00 0.00 C ATOM 0 H ALA A 28 -3.053 -3.479 0.336 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.447 -3.183 -2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.808 -0.801 -1.852 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.434 -1.501 -0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.682 -1.279 -0.559 1.00 0.00 H new ATOM 288 N ILE A 29 -1.166 -2.866 -2.263 1.00 0.00 N ATOM 289 CA ILE A 29 -0.046 -2.878 -3.243 1.00 0.00 C ATOM 290 C ILE A 29 -0.204 -4.092 -4.150 1.00 0.00 C ATOM 291 O ILE A 29 -0.078 -4.011 -5.360 1.00 0.00 O ATOM 292 CB ILE A 29 1.293 -2.903 -2.491 1.00 0.00 C ATOM 293 CG1 ILE A 29 2.278 -2.001 -3.209 1.00 0.00 C ATOM 294 CG2 ILE A 29 1.854 -4.311 -2.413 1.00 0.00 C ATOM 295 CD1 ILE A 29 1.585 -0.679 -3.459 1.00 0.00 C ATOM 0 H ILE A 29 -0.891 -2.801 -1.283 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.063 -1.980 -3.860 1.00 0.00 H new ATOM 0 HB ILE A 29 1.128 -2.550 -1.473 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.175 -1.856 -2.606 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.595 -2.451 -4.149 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.802 -4.296 -1.875 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.149 -4.955 -1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.015 -4.695 -3.420 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.266 -0.003 -3.976 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.700 -0.843 -4.074 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.289 -0.238 -2.507 1.00 0.00 H new ATOM 307 N ALA A 30 -0.519 -5.213 -3.577 1.00 0.00 N ATOM 308 CA ALA A 30 -0.738 -6.418 -4.416 1.00 0.00 C ATOM 309 C ALA A 30 -1.741 -6.005 -5.487 1.00 0.00 C ATOM 310 O ALA A 30 -1.595 -6.300 -6.664 1.00 0.00 O ATOM 311 CB ALA A 30 -1.318 -7.550 -3.564 1.00 0.00 C ATOM 0 H ALA A 30 -0.634 -5.349 -2.573 1.00 0.00 H new ATOM 0 HA ALA A 30 0.193 -6.777 -4.855 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.476 -8.430 -4.187 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.623 -7.794 -2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.269 -7.233 -3.137 1.00 0.00 H new ATOM 317 N GLU A 31 -2.747 -5.274 -5.081 1.00 0.00 N ATOM 318 CA GLU A 31 -3.743 -4.788 -6.065 1.00 0.00 C ATOM 319 C GLU A 31 -3.015 -3.955 -7.111 1.00 0.00 C ATOM 320 O GLU A 31 -3.290 -4.052 -8.282 1.00 0.00 O ATOM 321 CB GLU A 31 -4.804 -3.930 -5.374 1.00 0.00 C ATOM 322 CG GLU A 31 -5.353 -4.675 -4.155 1.00 0.00 C ATOM 323 CD GLU A 31 -6.633 -5.418 -4.544 1.00 0.00 C ATOM 324 OE1 GLU A 31 -7.689 -4.810 -4.483 1.00 0.00 O ATOM 325 OE2 GLU A 31 -6.534 -6.584 -4.893 1.00 0.00 O ATOM 0 H GLU A 31 -2.916 -4.997 -4.114 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.240 -5.638 -6.532 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.372 -2.978 -5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.613 -3.704 -6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.610 -5.380 -3.781 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.559 -3.972 -3.348 1.00 0.00 H new ATOM 332 N TYR A 32 -2.073 -3.147 -6.700 1.00 0.00 N ATOM 333 CA TYR A 32 -1.315 -2.329 -7.683 1.00 0.00 C ATOM 334 C TYR A 32 -0.878 -3.223 -8.840 1.00 0.00 C ATOM 335 O TYR A 32 -1.095 -2.917 -9.996 1.00 0.00 O ATOM 336 CB TYR A 32 -0.079 -1.751 -6.998 1.00 0.00 C ATOM 337 CG TYR A 32 0.482 -0.606 -7.807 1.00 0.00 C ATOM 338 CD1 TYR A 32 1.375 -0.857 -8.856 1.00 0.00 C ATOM 339 CD2 TYR A 32 0.130 0.712 -7.495 1.00 0.00 C ATOM 340 CE1 TYR A 32 1.908 0.201 -9.585 1.00 0.00 C ATOM 341 CE2 TYR A 32 0.665 1.769 -8.222 1.00 0.00 C ATOM 342 CZ TYR A 32 1.558 1.520 -9.271 1.00 0.00 C ATOM 343 OH TYR A 32 2.088 2.569 -9.993 1.00 0.00 O ATOM 0 H TYR A 32 -1.798 -3.021 -5.726 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.941 -1.520 -8.059 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.338 -1.405 -5.997 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.677 -2.528 -6.881 1.00 0.00 H new ATOM 0 HD1 TYR A 32 1.650 -1.873 -9.099 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.559 0.908 -6.687 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.594 0.005 -10.396 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.391 2.785 -7.977 1.00 0.00 H new ATOM 0 HH TYR A 32 2.270 2.276 -10.910 1.00 0.00 H new ATOM 353 N ASN A 33 -0.253 -4.329 -8.537 1.00 0.00 N ATOM 354 CA ASN A 33 0.208 -5.247 -9.618 1.00 0.00 C ATOM 355 C ASN A 33 -0.980 -5.718 -10.466 1.00 0.00 C ATOM 356 O ASN A 33 -0.868 -5.868 -11.667 1.00 0.00 O ATOM 357 CB ASN A 33 0.897 -6.461 -8.992 1.00 0.00 C ATOM 358 CG ASN A 33 1.506 -7.326 -10.098 1.00 0.00 C ATOM 359 OD1 ASN A 33 2.368 -6.881 -10.829 1.00 0.00 O ATOM 360 ND2 ASN A 33 1.089 -8.554 -10.253 1.00 0.00 N ATOM 0 H ASN A 33 -0.042 -4.636 -7.588 1.00 0.00 H new ATOM 0 HA ASN A 33 0.907 -4.711 -10.260 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.674 -6.135 -8.300 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.179 -7.043 -8.414 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.487 -9.139 -10.988 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.365 -8.928 -9.639 1.00 0.00 H new ATOM 367 N ARG A 34 -2.113 -5.974 -9.862 1.00 0.00 N ATOM 368 CA ARG A 34 -3.284 -6.454 -10.657 1.00 0.00 C ATOM 369 C ARG A 34 -4.012 -5.278 -11.328 1.00 0.00 C ATOM 370 O ARG A 34 -4.853 -5.470 -12.184 1.00 0.00 O ATOM 371 CB ARG A 34 -4.256 -7.200 -9.736 1.00 0.00 C ATOM 372 CG ARG A 34 -3.532 -8.381 -9.085 1.00 0.00 C ATOM 373 CD ARG A 34 -3.681 -8.298 -7.565 1.00 0.00 C ATOM 374 NE ARG A 34 -4.990 -8.881 -7.160 1.00 0.00 N ATOM 375 CZ ARG A 34 -5.323 -8.927 -5.899 1.00 0.00 C ATOM 376 NH1 ARG A 34 -4.421 -8.732 -4.978 1.00 0.00 N ATOM 377 NH2 ARG A 34 -6.560 -9.166 -5.560 1.00 0.00 N ATOM 0 H ARG A 34 -2.277 -5.872 -8.860 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.921 -7.125 -11.436 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.638 -6.526 -8.969 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.115 -7.555 -10.306 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.946 -9.321 -9.451 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.477 -8.370 -9.358 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.866 -8.835 -7.080 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.617 -7.260 -7.239 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.627 -9.245 -7.869 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.454 -8.543 -5.243 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.682 -8.768 -3.993 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.266 -9.317 -6.280 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.821 -9.202 -4.575 1.00 0.00 H new ATOM 391 N ALA A 35 -3.720 -4.070 -10.936 1.00 0.00 N ATOM 392 CA ALA A 35 -4.420 -2.898 -11.543 1.00 0.00 C ATOM 393 C ALA A 35 -3.663 -2.379 -12.766 1.00 0.00 C ATOM 394 O ALA A 35 -4.253 -1.965 -13.745 1.00 0.00 O ATOM 395 CB ALA A 35 -4.533 -1.781 -10.503 1.00 0.00 C ATOM 0 H ALA A 35 -3.028 -3.841 -10.222 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.413 -3.216 -11.862 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.043 -0.924 -10.943 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.100 -2.140 -9.644 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.536 -1.482 -10.180 1.00 0.00 H new ATOM 401 N SER A 36 -2.366 -2.381 -12.713 1.00 0.00 N ATOM 402 CA SER A 36 -1.561 -1.874 -13.859 1.00 0.00 C ATOM 403 C SER A 36 -1.715 -2.799 -15.070 1.00 0.00 C ATOM 404 O SER A 36 -1.204 -2.515 -16.135 1.00 0.00 O ATOM 405 CB SER A 36 -0.090 -1.821 -13.447 1.00 0.00 C ATOM 406 OG SER A 36 0.522 -3.071 -13.728 1.00 0.00 O ATOM 0 H SER A 36 -1.820 -2.715 -11.918 1.00 0.00 H new ATOM 0 HA SER A 36 -1.913 -0.879 -14.131 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.422 -1.023 -13.986 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.006 -1.593 -12.384 1.00 0.00 H new ATOM 0 HG SER A 36 1.466 -3.039 -13.467 1.00 0.00 H new ATOM 412 N ASN A 37 -2.408 -3.897 -14.917 1.00 0.00 N ATOM 413 CA ASN A 37 -2.592 -4.840 -16.062 1.00 0.00 C ATOM 414 C ASN A 37 -1.365 -5.737 -16.189 1.00 0.00 C ATOM 415 O ASN A 37 -1.406 -6.913 -15.889 1.00 0.00 O ATOM 416 CB ASN A 37 -2.794 -4.055 -17.362 1.00 0.00 C ATOM 417 CG ASN A 37 -3.671 -2.831 -17.087 1.00 0.00 C ATOM 418 OD1 ASN A 37 -3.337 -1.730 -17.478 1.00 0.00 O ATOM 419 ND2 ASN A 37 -4.786 -2.977 -16.425 1.00 0.00 N ATOM 0 H ASN A 37 -2.856 -4.183 -14.046 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.473 -5.455 -15.878 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.830 -3.742 -17.764 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.262 -4.690 -18.114 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.377 -2.167 -16.236 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.067 -3.901 -16.097 1.00 0.00 H new ATOM 426 N ASP A 38 -0.273 -5.188 -16.625 1.00 0.00 N ATOM 427 CA ASP A 38 0.960 -5.988 -16.772 1.00 0.00 C ATOM 428 C ASP A 38 1.412 -6.462 -15.383 1.00 0.00 C ATOM 429 O ASP A 38 0.727 -7.233 -14.743 1.00 0.00 O ATOM 430 CB ASP A 38 2.006 -5.094 -17.421 1.00 0.00 C ATOM 431 CG ASP A 38 3.306 -5.873 -17.635 1.00 0.00 C ATOM 432 OD1 ASP A 38 3.300 -7.072 -17.405 1.00 0.00 O ATOM 433 OD2 ASP A 38 4.285 -5.259 -18.024 1.00 0.00 O ATOM 0 H ASP A 38 -0.184 -4.207 -16.888 1.00 0.00 H new ATOM 0 HA ASP A 38 0.802 -6.870 -17.393 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.635 -4.722 -18.376 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.194 -4.225 -16.791 1.00 0.00 H new ATOM 438 N LYS A 39 2.543 -6.013 -14.901 1.00 0.00 N ATOM 439 CA LYS A 39 2.993 -6.458 -13.555 1.00 0.00 C ATOM 440 C LYS A 39 4.024 -5.471 -13.006 1.00 0.00 C ATOM 441 O LYS A 39 3.687 -4.536 -12.307 1.00 0.00 O ATOM 442 CB LYS A 39 3.625 -7.847 -13.661 1.00 0.00 C ATOM 443 CG LYS A 39 2.550 -8.872 -14.033 1.00 0.00 C ATOM 444 CD LYS A 39 3.118 -10.284 -13.887 1.00 0.00 C ATOM 445 CE LYS A 39 1.990 -11.250 -13.524 1.00 0.00 C ATOM 446 NZ LYS A 39 2.451 -12.652 -13.727 1.00 0.00 N ATOM 0 H LYS A 39 3.167 -5.363 -15.379 1.00 0.00 H new ATOM 0 HA LYS A 39 2.136 -6.498 -12.883 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.414 -7.843 -14.413 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.090 -8.120 -12.714 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.679 -8.751 -13.389 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.215 -8.708 -15.057 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.593 -10.595 -14.818 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.888 -10.300 -13.116 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.690 -11.101 -12.487 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.114 -11.051 -14.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.684 -13.309 -13.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.717 -12.789 -14.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.275 -12.838 -13.120 1.00 0.00 H new ATOM 460 N TYR A 40 5.276 -5.668 -13.331 1.00 0.00 N ATOM 461 CA TYR A 40 6.339 -4.759 -12.846 1.00 0.00 C ATOM 462 C TYR A 40 6.078 -4.408 -11.381 1.00 0.00 C ATOM 463 O TYR A 40 5.253 -5.031 -10.741 1.00 0.00 O ATOM 464 CB TYR A 40 6.362 -3.528 -13.753 1.00 0.00 C ATOM 465 CG TYR A 40 5.254 -2.582 -13.383 1.00 0.00 C ATOM 466 CD1 TYR A 40 5.443 -1.635 -12.371 1.00 0.00 C ATOM 467 CD2 TYR A 40 4.042 -2.640 -14.072 1.00 0.00 C ATOM 468 CE1 TYR A 40 4.415 -0.744 -12.049 1.00 0.00 C ATOM 469 CE2 TYR A 40 3.013 -1.753 -13.752 1.00 0.00 C ATOM 470 CZ TYR A 40 3.197 -0.802 -12.741 1.00 0.00 C ATOM 471 OH TYR A 40 2.180 0.077 -12.430 1.00 0.00 O ATOM 0 H TYR A 40 5.604 -6.433 -13.921 1.00 0.00 H new ATOM 0 HA TYR A 40 7.320 -5.231 -12.888 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.324 -3.023 -13.666 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.255 -3.834 -14.794 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.382 -1.592 -11.839 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.900 -3.372 -14.853 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.559 -0.012 -11.268 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.075 -1.800 -14.284 1.00 0.00 H new ATOM 0 HH TYR A 40 1.818 -0.142 -11.546 1.00 0.00 H new ATOM 481 N SER A 41 6.782 -3.471 -10.795 1.00 0.00 N ATOM 482 CA SER A 41 6.510 -3.223 -9.360 1.00 0.00 C ATOM 483 C SER A 41 6.644 -1.747 -8.989 1.00 0.00 C ATOM 484 O SER A 41 7.587 -1.058 -9.359 1.00 0.00 O ATOM 485 CB SER A 41 7.481 -4.048 -8.515 1.00 0.00 C ATOM 486 OG SER A 41 6.753 -4.799 -7.556 1.00 0.00 O ATOM 0 H SER A 41 7.501 -2.893 -11.230 1.00 0.00 H new ATOM 0 HA SER A 41 5.479 -3.518 -9.163 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.059 -4.716 -9.154 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.193 -3.391 -8.014 1.00 0.00 H new ATOM 0 HG SER A 41 7.375 -5.329 -7.015 1.00 0.00 H new ATOM 492 N SER A 42 5.704 -1.291 -8.209 1.00 0.00 N ATOM 493 CA SER A 42 5.716 0.101 -7.714 1.00 0.00 C ATOM 494 C SER A 42 5.897 0.005 -6.196 1.00 0.00 C ATOM 495 O SER A 42 4.939 -0.081 -5.453 1.00 0.00 O ATOM 496 CB SER A 42 4.373 0.765 -8.024 1.00 0.00 C ATOM 497 OG SER A 42 3.354 0.147 -7.251 1.00 0.00 O ATOM 0 H SER A 42 4.910 -1.845 -7.889 1.00 0.00 H new ATOM 0 HA SER A 42 6.506 0.689 -8.181 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.421 1.830 -7.799 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.146 0.674 -9.086 1.00 0.00 H new ATOM 0 HG SER A 42 2.476 0.411 -7.596 1.00 0.00 H new ATOM 503 N ARG A 43 7.110 -0.019 -5.730 1.00 0.00 N ATOM 504 CA ARG A 43 7.339 -0.144 -4.259 1.00 0.00 C ATOM 505 C ARG A 43 6.719 1.051 -3.561 1.00 0.00 C ATOM 506 O ARG A 43 5.677 1.536 -3.945 1.00 0.00 O ATOM 507 CB ARG A 43 8.846 -0.191 -3.991 1.00 0.00 C ATOM 508 CG ARG A 43 9.113 -0.995 -2.716 1.00 0.00 C ATOM 509 CD ARG A 43 10.262 -0.353 -1.936 1.00 0.00 C ATOM 510 NE ARG A 43 10.757 -1.305 -0.902 1.00 0.00 N ATOM 511 CZ ARG A 43 9.911 -2.031 -0.222 1.00 0.00 C ATOM 512 NH1 ARG A 43 9.500 -3.175 -0.701 1.00 0.00 N ATOM 513 NH2 ARG A 43 9.475 -1.615 0.935 1.00 0.00 N ATOM 0 H ARG A 43 7.955 0.042 -6.299 1.00 0.00 H new ATOM 0 HA ARG A 43 6.881 -1.057 -3.880 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.362 -0.647 -4.836 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.239 0.820 -3.885 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.215 -1.027 -2.099 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.363 -2.025 -2.969 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.071 -0.085 -2.615 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.924 0.569 -1.464 1.00 0.00 H new ATOM 0 HE ARG A 43 11.758 -1.390 -0.725 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.840 -3.501 -1.606 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.839 -3.742 -0.170 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.795 -0.722 1.309 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.814 -2.183 1.465 1.00 0.00 H new ATOM 527 N VAL A 44 7.356 1.522 -2.543 1.00 0.00 N ATOM 528 CA VAL A 44 6.853 2.708 -1.814 1.00 0.00 C ATOM 529 C VAL A 44 7.848 3.834 -2.095 1.00 0.00 C ATOM 530 O VAL A 44 8.850 3.622 -2.746 1.00 0.00 O ATOM 531 CB VAL A 44 6.770 2.373 -0.327 1.00 0.00 C ATOM 532 CG1 VAL A 44 7.170 3.572 0.544 1.00 0.00 C ATOM 533 CG2 VAL A 44 5.336 1.959 0.013 1.00 0.00 C ATOM 0 H VAL A 44 8.222 1.130 -2.175 1.00 0.00 H new ATOM 0 HA VAL A 44 5.855 3.011 -2.131 1.00 0.00 H new ATOM 0 HB VAL A 44 7.464 1.558 -0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.099 3.297 1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.195 3.863 0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.501 4.408 0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.269 1.718 1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.656 2.780 -0.217 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.061 1.084 -0.576 1.00 0.00 H new ATOM 543 N VAL A 45 7.590 5.028 -1.654 1.00 0.00 N ATOM 544 CA VAL A 45 8.538 6.131 -1.959 1.00 0.00 C ATOM 545 C VAL A 45 8.485 7.141 -0.817 1.00 0.00 C ATOM 546 O VAL A 45 9.348 7.185 0.038 1.00 0.00 O ATOM 547 CB VAL A 45 8.126 6.824 -3.272 1.00 0.00 C ATOM 548 CG1 VAL A 45 9.261 6.833 -4.267 1.00 0.00 C ATOM 549 CG2 VAL A 45 7.026 6.083 -3.977 1.00 0.00 C ATOM 0 H VAL A 45 6.773 5.288 -1.101 1.00 0.00 H new ATOM 0 HA VAL A 45 9.547 5.734 -2.068 1.00 0.00 H new ATOM 0 HB VAL A 45 7.819 7.827 -2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.938 7.329 -5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.111 7.369 -3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.554 5.808 -4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.767 6.606 -4.897 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.362 5.074 -4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.150 6.031 -3.330 1.00 0.00 H new ATOM 559 N ARG A 46 7.457 7.936 -0.792 1.00 0.00 N ATOM 560 CA ARG A 46 7.299 8.941 0.289 1.00 0.00 C ATOM 561 C ARG A 46 5.859 8.867 0.798 1.00 0.00 C ATOM 562 O ARG A 46 5.013 9.647 0.413 1.00 0.00 O ATOM 563 CB ARG A 46 7.583 10.341 -0.259 1.00 0.00 C ATOM 564 CG ARG A 46 7.959 11.273 0.896 1.00 0.00 C ATOM 565 CD ARG A 46 8.739 12.471 0.353 1.00 0.00 C ATOM 566 NE ARG A 46 7.863 13.265 -0.555 1.00 0.00 N ATOM 567 CZ ARG A 46 7.524 14.482 -0.235 1.00 0.00 C ATOM 568 NH1 ARG A 46 8.433 15.416 -0.161 1.00 0.00 N ATOM 569 NH2 ARG A 46 6.275 14.769 0.012 1.00 0.00 N ATOM 0 H ARG A 46 6.709 7.932 -1.485 1.00 0.00 H new ATOM 0 HA ARG A 46 7.998 8.737 1.100 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.393 10.301 -0.987 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.705 10.725 -0.779 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.060 11.614 1.410 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.561 10.736 1.629 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.088 13.095 1.176 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.623 12.129 -0.185 1.00 0.00 H new ATOM 0 HE ARG A 46 7.529 12.855 -1.427 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.410 15.194 -0.354 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.167 16.368 0.090 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.563 14.041 -0.045 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.011 15.722 0.262 1.00 0.00 H new ATOM 583 N VAL A 47 5.579 7.921 1.653 1.00 0.00 N ATOM 584 CA VAL A 47 4.205 7.772 2.185 1.00 0.00 C ATOM 585 C VAL A 47 3.639 9.140 2.536 1.00 0.00 C ATOM 586 O VAL A 47 4.342 10.130 2.576 1.00 0.00 O ATOM 587 CB VAL A 47 4.261 6.874 3.404 1.00 0.00 C ATOM 588 CG1 VAL A 47 3.023 7.079 4.270 1.00 0.00 C ATOM 589 CG2 VAL A 47 4.338 5.412 2.955 1.00 0.00 C ATOM 0 H VAL A 47 6.253 7.242 2.005 1.00 0.00 H new ATOM 0 HA VAL A 47 3.550 7.322 1.438 1.00 0.00 H new ATOM 0 HB VAL A 47 5.145 7.126 3.990 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.077 6.427 5.142 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.975 8.118 4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.131 6.838 3.692 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.378 4.764 3.831 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.457 5.167 2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.234 5.263 2.352 1.00 0.00 H new ATOM 599 N ILE A 48 2.363 9.204 2.759 1.00 0.00 N ATOM 600 CA ILE A 48 1.733 10.499 3.065 1.00 0.00 C ATOM 601 C ILE A 48 0.686 10.290 4.147 1.00 0.00 C ATOM 602 O ILE A 48 0.653 10.982 5.144 1.00 0.00 O ATOM 603 CB ILE A 48 1.051 10.972 1.791 1.00 0.00 C ATOM 604 CG1 ILE A 48 2.090 11.563 0.836 1.00 0.00 C ATOM 605 CG2 ILE A 48 -0.010 12.030 2.110 1.00 0.00 C ATOM 606 CD1 ILE A 48 1.563 11.479 -0.598 1.00 0.00 C ATOM 0 H ILE A 48 1.728 8.406 2.741 1.00 0.00 H new ATOM 0 HA ILE A 48 2.466 11.228 3.410 1.00 0.00 H new ATOM 0 HB ILE A 48 0.565 10.117 1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.295 12.600 1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.031 11.020 0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.487 12.357 1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.761 11.603 2.775 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.462 12.884 2.596 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.300 11.899 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.380 10.436 -0.858 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.633 12.042 -0.677 1.00 0.00 H new ATOM 618 N SER A 49 -0.188 9.348 3.940 1.00 0.00 N ATOM 619 CA SER A 49 -1.256 9.120 4.959 1.00 0.00 C ATOM 620 C SER A 49 -1.475 7.630 5.235 1.00 0.00 C ATOM 621 O SER A 49 -2.365 7.017 4.689 1.00 0.00 O ATOM 622 CB SER A 49 -2.565 9.737 4.463 1.00 0.00 C ATOM 623 OG SER A 49 -3.015 10.706 5.397 1.00 0.00 O ATOM 0 H SER A 49 -0.214 8.734 3.126 1.00 0.00 H new ATOM 0 HA SER A 49 -0.937 9.590 5.889 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.415 10.199 3.487 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.320 8.961 4.336 1.00 0.00 H new ATOM 0 HG SER A 49 -3.794 11.176 5.032 1.00 0.00 H new ATOM 629 N ALA A 50 -0.699 7.065 6.122 1.00 0.00 N ATOM 630 CA ALA A 50 -0.880 5.626 6.491 1.00 0.00 C ATOM 631 C ALA A 50 -1.442 5.579 7.915 1.00 0.00 C ATOM 632 O ALA A 50 -0.705 5.554 8.881 1.00 0.00 O ATOM 633 CB ALA A 50 0.465 4.907 6.460 1.00 0.00 C ATOM 0 H ALA A 50 0.059 7.541 6.612 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.555 5.138 5.787 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.324 3.860 6.730 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.888 4.970 5.457 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.145 5.377 7.171 1.00 0.00 H new ATOM 639 N LYS A 51 -2.739 5.600 8.058 1.00 0.00 N ATOM 640 CA LYS A 51 -3.339 5.590 9.424 1.00 0.00 C ATOM 641 C LYS A 51 -4.464 4.563 9.501 1.00 0.00 C ATOM 642 O LYS A 51 -4.947 4.062 8.502 1.00 0.00 O ATOM 643 CB LYS A 51 -3.898 6.980 9.736 1.00 0.00 C ATOM 644 CG LYS A 51 -2.751 7.914 10.126 1.00 0.00 C ATOM 645 CD LYS A 51 -2.775 9.156 9.234 1.00 0.00 C ATOM 646 CE LYS A 51 -2.551 10.404 10.090 1.00 0.00 C ATOM 647 NZ LYS A 51 -1.110 10.507 10.453 1.00 0.00 N ATOM 0 H LYS A 51 -3.409 5.624 7.289 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.570 5.325 10.150 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.424 7.376 8.867 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.623 6.919 10.547 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.844 8.204 11.173 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.797 7.398 10.022 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.001 9.083 8.470 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.731 9.225 8.715 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.863 11.294 9.543 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.161 10.353 10.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.023 10.792 11.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.650 9.584 10.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.650 11.217 9.848 1.00 0.00 H new ATOM 661 N ARG A 52 -4.875 4.247 10.695 1.00 0.00 N ATOM 662 CA ARG A 52 -5.961 3.244 10.877 1.00 0.00 C ATOM 663 C ARG A 52 -7.105 3.844 11.708 1.00 0.00 C ATOM 664 O ARG A 52 -7.171 3.659 12.908 1.00 0.00 O ATOM 665 CB ARG A 52 -5.395 2.030 11.597 1.00 0.00 C ATOM 666 CG ARG A 52 -4.686 1.120 10.592 1.00 0.00 C ATOM 667 CD ARG A 52 -3.767 0.158 11.345 1.00 0.00 C ATOM 668 NE ARG A 52 -3.076 0.894 12.440 1.00 0.00 N ATOM 669 CZ ARG A 52 -2.811 0.294 13.569 1.00 0.00 C ATOM 670 NH1 ARG A 52 -2.874 -1.008 13.648 1.00 0.00 N ATOM 671 NH2 ARG A 52 -2.483 0.997 14.618 1.00 0.00 N ATOM 0 H ARG A 52 -4.504 4.642 11.559 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.351 2.953 9.901 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.696 2.347 12.371 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.196 1.484 12.095 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.419 0.561 10.010 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.108 1.718 9.887 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.346 -0.669 11.756 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.035 -0.273 10.662 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.809 1.869 12.308 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.130 -1.557 12.827 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.667 -1.476 14.530 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.434 2.014 14.555 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.276 0.530 15.501 1.00 0.00 H new ATOM 685 N GLN A 53 -8.007 4.560 11.086 1.00 0.00 N ATOM 686 CA GLN A 53 -9.142 5.162 11.846 1.00 0.00 C ATOM 687 C GLN A 53 -9.695 4.132 12.829 1.00 0.00 C ATOM 688 O GLN A 53 -9.580 2.940 12.620 1.00 0.00 O ATOM 689 CB GLN A 53 -10.243 5.584 10.872 1.00 0.00 C ATOM 690 CG GLN A 53 -10.117 7.080 10.578 1.00 0.00 C ATOM 691 CD GLN A 53 -11.479 7.633 10.158 1.00 0.00 C ATOM 692 OE1 GLN A 53 -12.501 7.213 10.661 1.00 0.00 O ATOM 693 NE2 GLN A 53 -11.537 8.568 9.249 1.00 0.00 N ATOM 0 H GLN A 53 -8.006 4.753 10.084 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.791 6.036 12.394 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.164 5.013 9.947 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.223 5.367 11.298 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.756 7.606 11.462 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.386 7.246 9.787 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.679 8.922 8.826 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.440 8.945 8.962 1.00 0.00 H new ATOM 702 N LEU A 54 -10.287 4.577 13.909 1.00 0.00 N ATOM 703 CA LEU A 54 -10.826 3.610 14.906 1.00 0.00 C ATOM 704 C LEU A 54 -12.317 3.860 15.164 1.00 0.00 C ATOM 705 O LEU A 54 -12.690 4.518 16.115 1.00 0.00 O ATOM 706 CB LEU A 54 -10.055 3.757 16.218 1.00 0.00 C ATOM 707 CG LEU A 54 -9.834 2.374 16.837 1.00 0.00 C ATOM 708 CD1 LEU A 54 -8.379 2.249 17.296 1.00 0.00 C ATOM 709 CD2 LEU A 54 -10.765 2.199 18.039 1.00 0.00 C ATOM 0 H LEU A 54 -10.419 5.562 14.140 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.708 2.602 14.509 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.097 4.244 16.037 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.609 4.392 16.909 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.049 1.604 16.096 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.220 1.265 17.737 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.715 2.375 16.440 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.164 3.018 18.038 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.608 1.215 18.480 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.550 2.968 18.781 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.801 2.290 17.713 1.00 0.00 H new ATOM 721 N VAL A 55 -13.171 3.305 14.347 1.00 0.00 N ATOM 722 CA VAL A 55 -14.634 3.467 14.560 1.00 0.00 C ATOM 723 C VAL A 55 -15.198 2.066 14.799 1.00 0.00 C ATOM 724 O VAL A 55 -14.473 1.191 15.227 1.00 0.00 O ATOM 725 CB VAL A 55 -15.265 4.112 13.318 1.00 0.00 C ATOM 726 CG1 VAL A 55 -15.489 3.057 12.228 1.00 0.00 C ATOM 727 CG2 VAL A 55 -16.601 4.752 13.694 1.00 0.00 C ATOM 0 H VAL A 55 -12.914 2.743 13.536 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.852 4.113 15.410 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.589 4.877 12.936 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -15.937 3.528 11.353 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -14.534 2.611 11.951 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -16.156 2.281 12.604 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -17.047 5.209 12.811 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -17.273 3.988 14.086 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.437 5.516 14.454 1.00 0.00 H new ATOM 737 N SER A 56 -16.456 1.820 14.525 1.00 0.00 N ATOM 738 CA SER A 56 -16.984 0.436 14.741 1.00 0.00 C ATOM 739 C SER A 56 -15.940 -0.569 14.246 1.00 0.00 C ATOM 740 O SER A 56 -15.819 -1.660 14.755 1.00 0.00 O ATOM 741 CB SER A 56 -18.284 0.229 13.951 1.00 0.00 C ATOM 742 OG SER A 56 -18.007 0.308 12.560 1.00 0.00 O ATOM 0 H SER A 56 -17.127 2.500 14.169 1.00 0.00 H new ATOM 0 HA SER A 56 -17.187 0.292 15.802 1.00 0.00 H new ATOM 0 HB2 SER A 56 -18.719 -0.741 14.192 1.00 0.00 H new ATOM 0 HB3 SER A 56 -19.017 0.985 14.231 1.00 0.00 H new ATOM 0 HG SER A 56 -18.835 0.175 12.053 1.00 0.00 H new ATOM 748 N GLY A 57 -15.170 -0.182 13.270 1.00 0.00 N ATOM 749 CA GLY A 57 -14.106 -1.069 12.733 1.00 0.00 C ATOM 750 C GLY A 57 -12.914 -0.169 12.385 1.00 0.00 C ATOM 751 O GLY A 57 -13.043 1.038 12.405 1.00 0.00 O ATOM 0 H GLY A 57 -15.235 0.728 12.814 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.821 -1.821 13.469 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.457 -1.604 11.851 1.00 0.00 H new ATOM 755 N ILE A 58 -11.754 -0.693 12.071 1.00 0.00 N ATOM 756 CA ILE A 58 -10.642 0.238 11.751 1.00 0.00 C ATOM 757 C ILE A 58 -10.622 0.534 10.264 1.00 0.00 C ATOM 758 O ILE A 58 -10.877 -0.322 9.441 1.00 0.00 O ATOM 759 CB ILE A 58 -9.312 -0.391 12.124 1.00 0.00 C ATOM 760 CG1 ILE A 58 -9.247 -0.589 13.628 1.00 0.00 C ATOM 761 CG2 ILE A 58 -8.175 0.516 11.671 1.00 0.00 C ATOM 762 CD1 ILE A 58 -9.903 -1.919 13.954 1.00 0.00 C ATOM 0 H ILE A 58 -11.538 -1.689 12.024 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.795 1.158 12.316 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.216 -1.359 11.632 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.212 -0.581 13.969 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -9.759 0.225 14.142 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.220 0.064 11.939 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.223 0.648 10.590 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.267 1.486 12.159 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.870 -2.087 15.031 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.941 -1.904 13.621 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.370 -2.722 13.445 1.00 0.00 H new ATOM 774 N LYS A 59 -10.269 1.726 9.906 1.00 0.00 N ATOM 775 CA LYS A 59 -10.171 2.054 8.466 1.00 0.00 C ATOM 776 C LYS A 59 -8.711 2.338 8.203 1.00 0.00 C ATOM 777 O LYS A 59 -8.072 3.071 8.919 1.00 0.00 O ATOM 778 CB LYS A 59 -11.009 3.283 8.113 1.00 0.00 C ATOM 779 CG LYS A 59 -12.026 3.566 9.225 1.00 0.00 C ATOM 780 CD LYS A 59 -12.855 4.798 8.856 1.00 0.00 C ATOM 781 CE LYS A 59 -13.425 4.629 7.447 1.00 0.00 C ATOM 782 NZ LYS A 59 -14.316 5.781 7.129 1.00 0.00 N ATOM 0 H LYS A 59 -10.044 2.488 10.546 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.548 1.231 7.859 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.360 4.148 7.975 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.528 3.120 7.168 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.678 2.704 9.364 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.510 3.731 10.171 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.665 4.932 9.573 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.235 5.693 8.904 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.615 4.571 6.720 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.982 3.695 7.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.704 5.666 6.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.096 5.817 7.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.771 6.665 7.178 1.00 0.00 H new ATOM 796 N TYR A 60 -8.173 1.747 7.206 1.00 0.00 N ATOM 797 CA TYR A 60 -6.732 1.958 6.918 1.00 0.00 C ATOM 798 C TYR A 60 -6.592 2.910 5.743 1.00 0.00 C ATOM 799 O TYR A 60 -6.637 2.502 4.603 1.00 0.00 O ATOM 800 CB TYR A 60 -6.085 0.624 6.580 1.00 0.00 C ATOM 801 CG TYR A 60 -5.926 -0.225 7.837 1.00 0.00 C ATOM 802 CD1 TYR A 60 -7.022 -0.461 8.684 1.00 0.00 C ATOM 803 CD2 TYR A 60 -4.680 -0.796 8.145 1.00 0.00 C ATOM 804 CE1 TYR A 60 -6.869 -1.257 9.823 1.00 0.00 C ATOM 805 CE2 TYR A 60 -4.534 -1.591 9.283 1.00 0.00 C ATOM 806 CZ TYR A 60 -5.627 -1.823 10.123 1.00 0.00 C ATOM 807 OH TYR A 60 -5.479 -2.609 11.247 1.00 0.00 O ATOM 0 H TYR A 60 -8.660 1.120 6.565 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.239 2.385 7.791 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.694 0.092 5.849 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.111 0.791 6.121 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.984 -0.027 8.455 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.832 -0.619 7.499 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.713 -1.435 10.473 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.574 -2.028 9.515 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.553 -2.924 11.306 1.00 0.00 H new ATOM 817 N ILE A 61 -6.410 4.172 5.993 1.00 0.00 N ATOM 818 CA ILE A 61 -6.270 5.105 4.859 1.00 0.00 C ATOM 819 C ILE A 61 -4.800 5.212 4.521 1.00 0.00 C ATOM 820 O ILE A 61 -3.974 5.489 5.361 1.00 0.00 O ATOM 821 CB ILE A 61 -6.768 6.482 5.235 1.00 0.00 C ATOM 822 CG1 ILE A 61 -7.702 6.414 6.449 1.00 0.00 C ATOM 823 CG2 ILE A 61 -7.509 7.104 4.050 1.00 0.00 C ATOM 824 CD1 ILE A 61 -8.786 5.360 6.206 1.00 0.00 C ATOM 0 H ILE A 61 -6.353 4.590 6.922 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.852 4.734 4.015 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.908 7.099 5.496 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.133 6.165 7.345 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.160 7.388 6.623 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.866 8.096 4.325 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.832 7.185 3.199 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.357 6.475 3.780 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.449 5.314 7.070 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.363 5.628 5.321 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.320 4.387 6.054 1.00 0.00 H new ATOM 836 N LEU A 62 -4.466 4.951 3.317 1.00 0.00 N ATOM 837 CA LEU A 62 -3.086 4.977 2.911 1.00 0.00 C ATOM 838 C LEU A 62 -2.889 5.875 1.712 1.00 0.00 C ATOM 839 O LEU A 62 -3.745 6.010 0.865 1.00 0.00 O ATOM 840 CB LEU A 62 -2.778 3.589 2.507 1.00 0.00 C ATOM 841 CG LEU A 62 -1.334 3.294 2.787 1.00 0.00 C ATOM 842 CD1 LEU A 62 -1.180 1.798 2.848 1.00 0.00 C ATOM 843 CD2 LEU A 62 -0.495 3.860 1.659 1.00 0.00 C ATOM 0 H LEU A 62 -5.125 4.713 2.576 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.450 5.349 3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.415 2.891 3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.989 3.453 1.446 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.010 3.741 3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.139 1.547 3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.811 1.399 3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.479 1.362 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.558 3.653 1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.791 3.397 0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.647 4.938 1.598 1.00 0.00 H new ATOM 855 N GLN A 63 -1.743 6.448 1.617 1.00 0.00 N ATOM 856 CA GLN A 63 -1.424 7.286 0.467 1.00 0.00 C ATOM 857 C GLN A 63 0.059 7.254 0.301 1.00 0.00 C ATOM 858 O GLN A 63 0.806 7.303 1.252 1.00 0.00 O ATOM 859 CB GLN A 63 -1.793 8.711 0.689 1.00 0.00 C ATOM 860 CG GLN A 63 -3.275 8.940 0.398 1.00 0.00 C ATOM 861 CD GLN A 63 -4.071 8.881 1.704 1.00 0.00 C ATOM 862 OE1 GLN A 63 -4.510 7.826 2.114 1.00 0.00 O ATOM 863 NE2 GLN A 63 -4.278 9.980 2.376 1.00 0.00 N ATOM 0 H GLN A 63 -0.998 6.366 2.308 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.974 6.909 -0.395 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.572 8.992 1.719 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.189 9.352 0.047 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.416 9.908 -0.082 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.640 8.184 -0.297 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.909 10.866 2.031 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.809 9.953 3.246 1.00 0.00 H new ATOM 872 N VAL A 64 0.473 7.223 -0.894 1.00 0.00 N ATOM 873 CA VAL A 64 1.931 7.218 -1.185 1.00 0.00 C ATOM 874 C VAL A 64 2.138 7.449 -2.687 1.00 0.00 C ATOM 875 O VAL A 64 1.370 6.976 -3.496 1.00 0.00 O ATOM 876 CB VAL A 64 2.594 5.852 -0.808 1.00 0.00 C ATOM 877 CG1 VAL A 64 2.072 5.299 0.520 1.00 0.00 C ATOM 878 CG2 VAL A 64 2.309 4.826 -1.892 1.00 0.00 C ATOM 0 H VAL A 64 -0.131 7.200 -1.716 1.00 0.00 H new ATOM 0 HA VAL A 64 2.393 8.006 -0.590 1.00 0.00 H new ATOM 0 HB VAL A 64 3.664 6.036 -0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.563 4.350 0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.286 6.009 1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.995 5.143 0.451 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.773 3.876 -1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.232 4.689 -1.989 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.718 5.175 -2.840 1.00 0.00 H new ATOM 888 N GLU A 65 3.188 8.123 -3.064 1.00 0.00 N ATOM 889 CA GLU A 65 3.466 8.309 -4.518 1.00 0.00 C ATOM 890 C GLU A 65 4.261 7.081 -4.957 1.00 0.00 C ATOM 891 O GLU A 65 5.385 7.196 -5.345 1.00 0.00 O ATOM 892 CB GLU A 65 4.289 9.585 -4.746 1.00 0.00 C ATOM 893 CG GLU A 65 4.054 10.566 -3.594 1.00 0.00 C ATOM 894 CD GLU A 65 4.481 11.970 -4.026 1.00 0.00 C ATOM 895 OE1 GLU A 65 4.893 12.120 -5.164 1.00 0.00 O ATOM 896 OE2 GLU A 65 4.389 12.873 -3.211 1.00 0.00 O ATOM 0 H GLU A 65 3.864 8.552 -2.432 1.00 0.00 H new ATOM 0 HA GLU A 65 2.543 8.413 -5.089 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.348 9.338 -4.815 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.007 10.047 -5.692 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.002 10.565 -3.310 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.621 10.256 -2.716 1.00 0.00 H new ATOM 903 N ILE A 66 3.641 5.919 -4.841 1.00 0.00 N ATOM 904 CA ILE A 66 4.265 4.572 -5.141 1.00 0.00 C ATOM 905 C ILE A 66 5.637 4.666 -5.795 1.00 0.00 C ATOM 906 O ILE A 66 5.938 5.524 -6.603 1.00 0.00 O ATOM 907 CB ILE A 66 3.303 3.704 -5.947 1.00 0.00 C ATOM 908 CG1 ILE A 66 1.854 4.155 -5.745 1.00 0.00 C ATOM 909 CG2 ILE A 66 3.401 2.252 -5.489 1.00 0.00 C ATOM 910 CD1 ILE A 66 1.405 3.822 -4.320 1.00 0.00 C ATOM 0 H ILE A 66 2.671 5.847 -4.533 1.00 0.00 H new ATOM 0 HA ILE A 66 4.444 4.089 -4.181 1.00 0.00 H new ATOM 0 HB ILE A 66 3.578 3.801 -6.997 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.768 5.227 -5.923 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.205 3.659 -6.467 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.711 1.640 -6.070 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.419 1.892 -5.638 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.143 2.186 -4.432 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.373 4.144 -4.179 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.475 2.746 -4.159 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.047 4.338 -3.606 1.00 0.00 H new ATOM 922 N GLY A 67 6.495 3.791 -5.315 1.00 0.00 N ATOM 923 CA GLY A 67 7.920 3.782 -5.688 1.00 0.00 C ATOM 924 C GLY A 67 8.277 2.801 -6.779 1.00 0.00 C ATOM 925 O GLY A 67 7.466 2.059 -7.269 1.00 0.00 O ATOM 0 H GLY A 67 6.238 3.059 -4.653 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.204 4.784 -6.011 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.513 3.552 -4.802 1.00 0.00 H new ATOM 929 N ARG A 68 9.491 2.923 -7.241 1.00 0.00 N ATOM 930 CA ARG A 68 9.934 2.189 -8.421 1.00 0.00 C ATOM 931 C ARG A 68 10.537 0.795 -8.275 1.00 0.00 C ATOM 932 O ARG A 68 11.421 0.551 -7.479 1.00 0.00 O ATOM 933 CB ARG A 68 10.999 3.125 -9.031 1.00 0.00 C ATOM 934 CG ARG A 68 12.357 2.901 -8.362 1.00 0.00 C ATOM 935 CD ARG A 68 13.069 4.245 -8.190 1.00 0.00 C ATOM 936 NE ARG A 68 14.204 4.088 -7.239 1.00 0.00 N ATOM 937 CZ ARG A 68 14.153 4.655 -6.065 1.00 0.00 C ATOM 938 NH1 ARG A 68 13.651 5.852 -5.940 1.00 0.00 N ATOM 939 NH2 ARG A 68 14.605 4.023 -5.015 1.00 0.00 N ATOM 0 H ARG A 68 10.203 3.523 -6.825 1.00 0.00 H new ATOM 0 HA ARG A 68 9.040 1.965 -9.004 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.081 2.943 -10.103 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.693 4.164 -8.907 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.222 2.422 -7.392 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.966 2.229 -8.967 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.434 4.601 -9.153 1.00 0.00 H new ATOM 0 HD3 ARG A 68 12.370 4.994 -7.818 1.00 0.00 H new ATOM 0 HE ARG A 68 15.021 3.538 -7.505 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.298 6.345 -6.760 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.611 6.295 -5.022 1.00 0.00 H new ATOM 0 HH21 ARG A 68 14.998 3.087 -5.113 1.00 0.00 H new ATOM 0 HH22 ARG A 68 14.565 4.466 -4.097 1.00 0.00 H new ATOM 953 N THR A 69 10.143 -0.094 -9.189 1.00 0.00 N ATOM 954 CA THR A 69 10.769 -1.390 -9.253 1.00 0.00 C ATOM 955 C THR A 69 10.077 -2.300 -10.263 1.00 0.00 C ATOM 956 O THR A 69 9.472 -3.291 -9.917 1.00 0.00 O ATOM 957 CB THR A 69 10.851 -1.973 -7.884 1.00 0.00 C ATOM 958 OG1 THR A 69 11.020 -3.379 -7.955 1.00 0.00 O ATOM 959 CG2 THR A 69 9.600 -1.630 -7.076 1.00 0.00 C ATOM 0 H THR A 69 9.407 0.066 -9.877 1.00 0.00 H new ATOM 0 HA THR A 69 11.789 -1.282 -9.622 1.00 0.00 H new ATOM 0 HB THR A 69 11.716 -1.542 -7.380 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.272 -3.774 -8.449 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.680 -2.065 -6.080 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.506 -0.547 -6.993 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.721 -2.033 -7.578 1.00 0.00 H new ATOM 967 N THR A 70 10.170 -1.935 -11.526 1.00 0.00 N ATOM 968 CA THR A 70 9.529 -2.734 -12.617 1.00 0.00 C ATOM 969 C THR A 70 9.530 -4.228 -12.282 1.00 0.00 C ATOM 970 O THR A 70 8.675 -4.673 -11.562 1.00 0.00 O ATOM 971 CB THR A 70 10.222 -2.524 -13.984 1.00 0.00 C ATOM 972 OG1 THR A 70 9.915 -3.625 -14.825 1.00 0.00 O ATOM 973 CG2 THR A 70 11.748 -2.415 -13.844 1.00 0.00 C ATOM 0 H THR A 70 10.670 -1.106 -11.846 1.00 0.00 H new ATOM 0 HA THR A 70 8.502 -2.376 -12.692 1.00 0.00 H new ATOM 0 HB THR A 70 9.856 -1.589 -14.409 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.348 -3.502 -15.696 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.194 -2.268 -14.828 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.995 -1.568 -13.204 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.139 -3.331 -13.401 1.00 0.00 H new ATOM 1125 N GLU A 82 14.253 -1.166 -10.020 1.00 0.00 N ATOM 1126 CA GLU A 82 13.654 0.192 -10.235 1.00 0.00 C ATOM 1127 C GLU A 82 12.523 0.209 -11.281 1.00 0.00 C ATOM 1128 O GLU A 82 12.582 -0.454 -12.296 1.00 0.00 O ATOM 1129 CB GLU A 82 14.755 1.154 -10.681 1.00 0.00 C ATOM 1130 CG GLU A 82 15.369 1.831 -9.454 1.00 0.00 C ATOM 1131 CD GLU A 82 16.888 1.645 -9.474 1.00 0.00 C ATOM 1132 OE1 GLU A 82 17.529 2.257 -10.314 1.00 0.00 O ATOM 1133 OE2 GLU A 82 17.384 0.897 -8.649 1.00 0.00 O ATOM 0 HA GLU A 82 13.212 0.496 -9.286 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.523 0.613 -11.234 1.00 0.00 H new ATOM 0 HB3 GLU A 82 14.345 1.905 -11.357 1.00 0.00 H new ATOM 0 HG2 GLU A 82 15.122 2.893 -9.450 1.00 0.00 H new ATOM 0 HG3 GLU A 82 14.952 1.403 -8.543 1.00 0.00 H new ATOM 1140 N PHE A 83 11.497 0.995 -10.997 1.00 0.00 N ATOM 1141 CA PHE A 83 10.304 1.160 -11.902 1.00 0.00 C ATOM 1142 C PHE A 83 10.764 0.909 -13.342 1.00 0.00 C ATOM 1143 O PHE A 83 10.067 0.321 -14.137 1.00 0.00 O ATOM 1144 CB PHE A 83 9.776 2.617 -11.893 1.00 0.00 C ATOM 1145 CG PHE A 83 8.688 2.977 -10.847 1.00 0.00 C ATOM 1146 CD1 PHE A 83 7.543 2.178 -10.605 1.00 0.00 C ATOM 1147 CD2 PHE A 83 8.833 4.170 -10.101 1.00 0.00 C ATOM 1148 CE1 PHE A 83 6.600 2.577 -9.631 1.00 0.00 C ATOM 1149 CE2 PHE A 83 7.897 4.542 -9.148 1.00 0.00 C ATOM 1150 CZ PHE A 83 6.792 3.770 -8.902 1.00 0.00 C ATOM 0 H PHE A 83 11.440 1.548 -10.142 1.00 0.00 H new ATOM 0 HA PHE A 83 9.530 0.473 -11.559 1.00 0.00 H new ATOM 0 HB2 PHE A 83 10.626 3.282 -11.737 1.00 0.00 H new ATOM 0 HB3 PHE A 83 9.377 2.836 -12.883 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.391 1.266 -11.164 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.690 4.804 -10.277 1.00 0.00 H new ATOM 0 HE1 PHE A 83 5.729 1.967 -9.444 1.00 0.00 H new ATOM 0 HE2 PHE A 83 8.041 5.456 -8.590 1.00 0.00 H new ATOM 0 HZ PHE A 83 6.073 4.072 -8.155 1.00 0.00 H new ATOM 1160 N HIS A 84 11.946 1.388 -13.682 1.00 0.00 N ATOM 1161 CA HIS A 84 12.461 1.202 -15.064 1.00 0.00 C ATOM 1162 C HIS A 84 13.980 1.382 -15.091 1.00 0.00 C ATOM 1163 O HIS A 84 14.540 2.019 -15.961 1.00 0.00 O ATOM 1164 CB HIS A 84 11.793 2.190 -16.000 1.00 0.00 C ATOM 1165 CG HIS A 84 11.161 1.448 -17.145 1.00 0.00 C ATOM 1166 ND1 HIS A 84 11.913 0.783 -18.100 1.00 0.00 N ATOM 1167 CD2 HIS A 84 9.849 1.257 -17.501 1.00 0.00 C ATOM 1168 CE1 HIS A 84 11.056 0.228 -18.977 1.00 0.00 C ATOM 1169 NE2 HIS A 84 9.785 0.486 -18.658 1.00 0.00 N ATOM 0 H HIS A 84 12.568 1.898 -13.054 1.00 0.00 H new ATOM 0 HA HIS A 84 12.228 0.191 -15.397 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.037 2.762 -15.462 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.526 2.904 -16.376 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.996 1.646 -16.965 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.359 -0.355 -19.834 1.00 0.00 H new ATOM 0 HE2 HIS A 84 8.948 0.183 -19.155 1.00 0.00 H new ATOM 1177 N ASP A 85 14.638 0.775 -14.151 1.00 0.00 N ATOM 1178 CA ASP A 85 16.130 0.821 -14.079 1.00 0.00 C ATOM 1179 C ASP A 85 16.685 2.254 -14.099 1.00 0.00 C ATOM 1180 O ASP A 85 17.669 2.517 -14.761 1.00 0.00 O ATOM 1181 CB ASP A 85 16.705 0.055 -15.272 1.00 0.00 C ATOM 1182 CG ASP A 85 16.787 -1.434 -14.932 1.00 0.00 C ATOM 1183 OD1 ASP A 85 17.122 -1.747 -13.802 1.00 0.00 O ATOM 1184 OD2 ASP A 85 16.516 -2.237 -15.810 1.00 0.00 O ATOM 0 H ASP A 85 14.198 0.233 -13.407 1.00 0.00 H new ATOM 0 HA ASP A 85 16.424 0.369 -13.132 1.00 0.00 H new ATOM 0 HB2 ASP A 85 16.077 0.204 -16.150 1.00 0.00 H new ATOM 0 HB3 ASP A 85 17.695 0.437 -15.520 1.00 0.00 H new ATOM 1189 N GLU A 86 16.105 3.177 -13.370 1.00 0.00 N ATOM 1190 CA GLU A 86 16.672 4.571 -13.368 1.00 0.00 C ATOM 1191 C GLU A 86 15.652 5.580 -12.826 1.00 0.00 C ATOM 1192 O GLU A 86 14.470 5.339 -12.869 1.00 0.00 O ATOM 1193 CB GLU A 86 17.049 4.973 -14.794 1.00 0.00 C ATOM 1194 CG GLU A 86 18.571 5.080 -14.910 1.00 0.00 C ATOM 1195 CD GLU A 86 18.930 6.079 -16.012 1.00 0.00 C ATOM 1196 OE1 GLU A 86 18.486 5.881 -17.131 1.00 0.00 O ATOM 1197 OE2 GLU A 86 19.640 7.025 -15.716 1.00 0.00 O ATOM 0 H GLU A 86 15.281 3.035 -12.786 1.00 0.00 H new ATOM 0 HA GLU A 86 17.552 4.577 -12.725 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.671 4.236 -15.503 1.00 0.00 H new ATOM 0 HB3 GLU A 86 16.587 5.927 -15.048 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.997 5.402 -13.960 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.999 4.103 -15.136 1.00 0.00 H new ATOM 1204 N PRO A 87 16.160 6.702 -12.360 1.00 0.00 N ATOM 1205 CA PRO A 87 15.333 7.831 -11.811 1.00 0.00 C ATOM 1206 C PRO A 87 14.696 8.593 -12.961 1.00 0.00 C ATOM 1207 O PRO A 87 13.521 8.906 -12.951 1.00 0.00 O ATOM 1208 CB PRO A 87 16.355 8.688 -11.077 1.00 0.00 C ATOM 1209 CG PRO A 87 17.714 8.390 -11.699 1.00 0.00 C ATOM 1210 CD PRO A 87 17.631 6.999 -12.335 1.00 0.00 C ATOM 0 HA PRO A 87 14.518 7.513 -11.161 1.00 0.00 H new ATOM 0 HB2 PRO A 87 16.111 9.746 -11.172 1.00 0.00 H new ATOM 0 HB3 PRO A 87 16.359 8.456 -10.012 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.966 9.140 -12.448 1.00 0.00 H new ATOM 0 HG3 PRO A 87 18.498 8.420 -10.942 1.00 0.00 H new ATOM 0 HD2 PRO A 87 18.057 6.992 -13.338 1.00 0.00 H new ATOM 0 HD3 PRO A 87 18.178 6.259 -11.751 1.00 0.00 H new ATOM 1218 N GLU A 88 15.468 8.870 -13.965 1.00 0.00 N ATOM 1219 CA GLU A 88 14.931 9.593 -15.147 1.00 0.00 C ATOM 1220 C GLU A 88 13.891 8.712 -15.843 1.00 0.00 C ATOM 1221 O GLU A 88 13.196 9.151 -16.738 1.00 0.00 O ATOM 1222 CB GLU A 88 16.071 9.906 -16.118 1.00 0.00 C ATOM 1223 CG GLU A 88 16.897 11.075 -15.577 1.00 0.00 C ATOM 1224 CD GLU A 88 15.979 12.267 -15.303 1.00 0.00 C ATOM 1225 OE1 GLU A 88 14.897 12.298 -15.867 1.00 0.00 O ATOM 1226 OE2 GLU A 88 16.372 13.129 -14.533 1.00 0.00 O ATOM 0 H GLU A 88 16.457 8.626 -14.021 1.00 0.00 H new ATOM 0 HA GLU A 88 14.467 10.526 -14.827 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.704 9.028 -16.247 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.668 10.155 -17.100 1.00 0.00 H new ATOM 0 HG2 GLU A 88 17.409 10.779 -14.661 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.667 11.354 -16.297 1.00 0.00 H new ATOM 1233 N LEU A 89 13.769 7.471 -15.438 1.00 0.00 N ATOM 1234 CA LEU A 89 12.774 6.581 -16.069 1.00 0.00 C ATOM 1235 C LEU A 89 12.074 5.804 -14.961 1.00 0.00 C ATOM 1236 O LEU A 89 11.612 4.701 -15.161 1.00 0.00 O ATOM 1237 CB LEU A 89 13.481 5.609 -17.017 1.00 0.00 C ATOM 1238 CG LEU A 89 13.192 6.008 -18.466 1.00 0.00 C ATOM 1239 CD1 LEU A 89 13.536 7.487 -18.666 1.00 0.00 C ATOM 1240 CD2 LEU A 89 14.044 5.157 -19.408 1.00 0.00 C ATOM 0 H LEU A 89 14.322 7.045 -14.695 1.00 0.00 H new ATOM 0 HA LEU A 89 12.050 7.161 -16.642 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.555 5.621 -16.833 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.138 4.591 -16.834 1.00 0.00 H new ATOM 0 HG LEU A 89 12.136 5.847 -18.684 1.00 0.00 H new ATOM 0 HD11 LEU A 89 13.330 7.772 -19.698 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.931 8.095 -17.994 1.00 0.00 H new ATOM 0 HD13 LEU A 89 14.592 7.648 -18.449 1.00 0.00 H new ATOM 0 HD21 LEU A 89 13.839 5.441 -20.440 1.00 0.00 H new ATOM 0 HD22 LEU A 89 15.100 5.319 -19.190 1.00 0.00 H new ATOM 0 HD23 LEU A 89 13.802 4.104 -19.266 1.00 0.00 H new ATOM 1252 N ALA A 90 11.968 6.383 -13.793 1.00 0.00 N ATOM 1253 CA ALA A 90 11.278 5.690 -12.694 1.00 0.00 C ATOM 1254 C ALA A 90 10.516 6.716 -11.893 1.00 0.00 C ATOM 1255 O ALA A 90 10.831 6.987 -10.751 1.00 0.00 O ATOM 1256 CB ALA A 90 12.249 4.935 -11.787 1.00 0.00 C ATOM 0 H ALA A 90 12.334 7.307 -13.564 1.00 0.00 H new ATOM 0 HA ALA A 90 10.602 4.949 -13.120 1.00 0.00 H new ATOM 0 HB1 ALA A 90 11.693 4.440 -10.991 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.788 4.189 -12.372 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.960 5.637 -11.351 1.00 0.00 H new ATOM 1262 N LYS A 91 9.509 7.291 -12.485 1.00 0.00 N ATOM 1263 CA LYS A 91 8.713 8.285 -11.766 1.00 0.00 C ATOM 1264 C LYS A 91 8.126 7.594 -10.554 1.00 0.00 C ATOM 1265 O LYS A 91 8.729 6.729 -9.977 1.00 0.00 O ATOM 1266 CB LYS A 91 7.594 8.805 -12.671 1.00 0.00 C ATOM 1267 CG LYS A 91 8.196 9.325 -13.979 1.00 0.00 C ATOM 1268 CD LYS A 91 7.752 10.771 -14.204 1.00 0.00 C ATOM 1269 CE LYS A 91 8.672 11.714 -13.426 1.00 0.00 C ATOM 1270 NZ LYS A 91 8.365 13.125 -13.798 1.00 0.00 N ATOM 0 H LYS A 91 9.212 7.105 -13.443 1.00 0.00 H new ATOM 0 HA LYS A 91 9.326 9.134 -11.465 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.880 8.008 -12.878 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.046 9.602 -12.168 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.284 9.269 -13.939 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.875 8.701 -14.813 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.783 11.011 -15.267 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.720 10.901 -13.877 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.535 11.571 -12.354 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.715 11.487 -13.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.990 13.767 -13.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.517 13.256 -14.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.374 13.338 -13.566 1.00 0.00 H new ATOM 1284 N TYR A 92 6.985 8.012 -10.140 1.00 0.00 N ATOM 1285 CA TYR A 92 6.329 7.466 -8.949 1.00 0.00 C ATOM 1286 C TYR A 92 4.840 7.683 -9.180 1.00 0.00 C ATOM 1287 O TYR A 92 4.452 8.264 -10.174 1.00 0.00 O ATOM 1288 CB TYR A 92 6.870 8.282 -7.804 1.00 0.00 C ATOM 1289 CG TYR A 92 8.391 8.253 -7.931 1.00 0.00 C ATOM 1290 CD1 TYR A 92 9.113 7.139 -7.479 1.00 0.00 C ATOM 1291 CD2 TYR A 92 9.069 9.294 -8.593 1.00 0.00 C ATOM 1292 CE1 TYR A 92 10.495 7.064 -7.679 1.00 0.00 C ATOM 1293 CE2 TYR A 92 10.455 9.218 -8.783 1.00 0.00 C ATOM 1294 CZ TYR A 92 11.166 8.103 -8.330 1.00 0.00 C ATOM 1295 OH TYR A 92 12.529 8.027 -8.527 1.00 0.00 O ATOM 0 H TYR A 92 6.454 8.749 -10.604 1.00 0.00 H new ATOM 0 HA TYR A 92 6.500 6.409 -8.744 1.00 0.00 H new ATOM 0 HB2 TYR A 92 6.497 9.305 -7.847 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.553 7.866 -6.848 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.599 6.335 -6.974 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.521 10.151 -8.954 1.00 0.00 H new ATOM 0 HE1 TYR A 92 11.044 6.202 -7.330 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.975 10.023 -9.281 1.00 0.00 H new ATOM 0 HH TYR A 92 12.837 8.831 -8.995 1.00 0.00 H new ATOM 1305 N THR A 93 3.997 7.223 -8.326 1.00 0.00 N ATOM 1306 CA THR A 93 2.534 7.429 -8.608 1.00 0.00 C ATOM 1307 C THR A 93 1.726 7.614 -7.325 1.00 0.00 C ATOM 1308 O THR A 93 2.050 7.082 -6.296 1.00 0.00 O ATOM 1309 CB THR A 93 2.001 6.240 -9.423 1.00 0.00 C ATOM 1310 OG1 THR A 93 0.960 6.690 -10.278 1.00 0.00 O ATOM 1311 CG2 THR A 93 1.461 5.139 -8.505 1.00 0.00 C ATOM 0 H THR A 93 4.226 6.726 -7.465 1.00 0.00 H new ATOM 0 HA THR A 93 2.421 8.346 -9.186 1.00 0.00 H new ATOM 0 HB THR A 93 2.822 5.827 -10.009 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.618 5.936 -10.802 1.00 0.00 H new ATOM 0 HG21 THR A 93 1.091 4.311 -9.109 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.260 4.784 -7.853 1.00 0.00 H new ATOM 0 HG23 THR A 93 0.648 5.537 -7.898 1.00 0.00 H new ATOM 1319 N THR A 94 0.661 8.371 -7.398 1.00 0.00 N ATOM 1320 CA THR A 94 -0.184 8.615 -6.190 1.00 0.00 C ATOM 1321 C THR A 94 -1.290 7.576 -6.087 1.00 0.00 C ATOM 1322 O THR A 94 -2.218 7.543 -6.873 1.00 0.00 O ATOM 1323 CB THR A 94 -0.806 10.011 -6.278 1.00 0.00 C ATOM 1324 OG1 THR A 94 0.193 10.948 -6.651 1.00 0.00 O ATOM 1325 CG2 THR A 94 -1.391 10.397 -4.919 1.00 0.00 C ATOM 0 H THR A 94 0.339 8.833 -8.248 1.00 0.00 H new ATOM 0 HA THR A 94 0.447 8.542 -5.304 1.00 0.00 H new ATOM 0 HB THR A 94 -1.600 10.010 -7.024 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.203 11.842 -6.710 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.834 11.391 -4.982 1.00 0.00 H new ATOM 0 HG22 THR A 94 -2.157 9.676 -4.635 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.599 10.400 -4.170 1.00 0.00 H new ATOM 1333 N CYS A 95 -1.196 6.730 -5.102 1.00 0.00 N ATOM 1334 CA CYS A 95 -2.225 5.690 -4.903 1.00 0.00 C ATOM 1335 C CYS A 95 -2.714 5.742 -3.455 1.00 0.00 C ATOM 1336 O CYS A 95 -1.986 6.134 -2.548 1.00 0.00 O ATOM 1337 CB CYS A 95 -1.605 4.330 -5.185 1.00 0.00 C ATOM 1338 SG CYS A 95 -2.901 3.070 -5.248 1.00 0.00 S ATOM 0 H CYS A 95 -0.437 6.720 -4.420 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.067 5.857 -5.575 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -1.063 4.356 -6.130 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -0.881 4.082 -4.409 1.00 0.00 H new ATOM 1343 N THR A 96 -3.942 5.349 -3.236 1.00 0.00 N ATOM 1344 CA THR A 96 -4.509 5.361 -1.860 1.00 0.00 C ATOM 1345 C THR A 96 -5.051 3.970 -1.523 1.00 0.00 C ATOM 1346 O THR A 96 -5.643 3.305 -2.354 1.00 0.00 O ATOM 1347 CB THR A 96 -5.656 6.371 -1.784 1.00 0.00 C ATOM 1348 OG1 THR A 96 -5.279 7.567 -2.448 1.00 0.00 O ATOM 1349 CG2 THR A 96 -5.980 6.675 -0.321 1.00 0.00 C ATOM 0 H THR A 96 -4.580 5.018 -3.960 1.00 0.00 H new ATOM 0 HA THR A 96 -3.728 5.639 -1.152 1.00 0.00 H new ATOM 0 HB THR A 96 -6.539 5.952 -2.267 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.014 8.213 -2.401 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.797 7.395 -0.271 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.275 5.756 0.185 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.099 7.092 0.168 1.00 0.00 H new ATOM 1357 N PHE A 97 -4.857 3.531 -0.311 1.00 0.00 N ATOM 1358 CA PHE A 97 -5.361 2.194 0.090 1.00 0.00 C ATOM 1359 C PHE A 97 -6.338 2.350 1.253 1.00 0.00 C ATOM 1360 O PHE A 97 -6.055 3.010 2.225 1.00 0.00 O ATOM 1361 CB PHE A 97 -4.195 1.318 0.535 1.00 0.00 C ATOM 1362 CG PHE A 97 -3.210 1.158 -0.621 1.00 0.00 C ATOM 1363 CD1 PHE A 97 -3.681 1.124 -1.948 1.00 0.00 C ATOM 1364 CD2 PHE A 97 -1.833 0.984 -0.382 1.00 0.00 C ATOM 1365 CE1 PHE A 97 -2.801 0.924 -3.006 1.00 0.00 C ATOM 1366 CE2 PHE A 97 -0.962 0.769 -1.446 1.00 0.00 C ATOM 1367 CZ PHE A 97 -1.437 0.738 -2.757 1.00 0.00 C ATOM 0 H PHE A 97 -4.368 4.046 0.421 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.864 1.730 -0.758 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.695 1.767 1.393 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.560 0.342 0.854 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.735 1.254 -2.146 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.452 1.017 0.628 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.171 0.912 -4.021 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.091 0.625 -1.255 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.754 0.571 -3.577 1.00 0.00 H new ATOM 1377 N VAL A 98 -7.480 1.740 1.177 1.00 0.00 N ATOM 1378 CA VAL A 98 -8.448 1.867 2.297 1.00 0.00 C ATOM 1379 C VAL A 98 -8.759 0.458 2.797 1.00 0.00 C ATOM 1380 O VAL A 98 -9.526 -0.270 2.200 1.00 0.00 O ATOM 1381 CB VAL A 98 -9.702 2.572 1.780 1.00 0.00 C ATOM 1382 CG1 VAL A 98 -10.930 2.153 2.592 1.00 0.00 C ATOM 1383 CG2 VAL A 98 -9.510 4.086 1.892 1.00 0.00 C ATOM 0 H VAL A 98 -7.786 1.162 0.394 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.047 2.457 3.121 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.861 2.291 0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.812 2.666 2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -11.071 1.075 2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.782 2.419 3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.402 4.594 1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -9.343 4.355 2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.649 4.389 1.296 1.00 0.00 H new ATOM 1393 N VAL A 99 -8.123 0.052 3.859 1.00 0.00 N ATOM 1394 CA VAL A 99 -8.337 -1.330 4.360 1.00 0.00 C ATOM 1395 C VAL A 99 -9.137 -1.339 5.667 1.00 0.00 C ATOM 1396 O VAL A 99 -8.705 -0.827 6.676 1.00 0.00 O ATOM 1397 CB VAL A 99 -6.954 -1.987 4.575 1.00 0.00 C ATOM 1398 CG1 VAL A 99 -6.899 -2.732 5.914 1.00 0.00 C ATOM 1399 CG2 VAL A 99 -6.694 -2.961 3.436 1.00 0.00 C ATOM 0 H VAL A 99 -7.467 0.616 4.399 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.916 -1.890 3.626 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.191 -1.209 4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.915 -3.184 6.039 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.082 -2.031 6.728 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -7.661 -3.511 5.928 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.721 -3.432 3.575 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.470 -3.727 3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.705 -2.423 2.488 1.00 0.00 H new ATOM 1409 N TYR A 100 -10.272 -1.973 5.669 1.00 0.00 N ATOM 1410 CA TYR A 100 -11.063 -2.058 6.927 1.00 0.00 C ATOM 1411 C TYR A 100 -10.609 -3.310 7.687 1.00 0.00 C ATOM 1412 O TYR A 100 -10.491 -4.376 7.113 1.00 0.00 O ATOM 1413 CB TYR A 100 -12.547 -2.159 6.592 1.00 0.00 C ATOM 1414 CG TYR A 100 -13.349 -1.413 7.627 1.00 0.00 C ATOM 1415 CD1 TYR A 100 -13.347 -0.015 7.631 1.00 0.00 C ATOM 1416 CD2 TYR A 100 -14.090 -2.117 8.580 1.00 0.00 C ATOM 1417 CE1 TYR A 100 -14.087 0.681 8.591 1.00 0.00 C ATOM 1418 CE2 TYR A 100 -14.830 -1.421 9.540 1.00 0.00 C ATOM 1419 CZ TYR A 100 -14.830 -0.021 9.546 1.00 0.00 C ATOM 1420 OH TYR A 100 -15.561 0.666 10.495 1.00 0.00 O ATOM 0 H TYR A 100 -10.686 -2.435 4.859 1.00 0.00 H new ATOM 0 HA TYR A 100 -10.906 -1.170 7.539 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -12.736 -1.744 5.602 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -12.854 -3.205 6.563 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -12.774 0.527 6.893 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -14.091 -3.197 8.575 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -14.085 1.761 8.595 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -15.402 -1.964 10.278 1.00 0.00 H new ATOM 0 HH TYR A 100 -16.197 0.055 10.923 1.00 0.00 H new ATOM 1430 N SER A 101 -10.332 -3.202 8.963 1.00 0.00 N ATOM 1431 CA SER A 101 -9.871 -4.392 9.717 1.00 0.00 C ATOM 1432 C SER A 101 -10.719 -4.539 10.994 1.00 0.00 C ATOM 1433 O SER A 101 -10.722 -3.676 11.858 1.00 0.00 O ATOM 1434 CB SER A 101 -8.395 -4.208 10.058 1.00 0.00 C ATOM 1435 OG SER A 101 -7.634 -5.235 9.453 1.00 0.00 O ATOM 0 H SER A 101 -10.407 -2.342 9.507 1.00 0.00 H new ATOM 0 HA SER A 101 -9.986 -5.298 9.122 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.050 -3.234 9.711 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.256 -4.228 11.139 1.00 0.00 H new ATOM 0 HG SER A 101 -6.687 -5.113 9.673 1.00 0.00 H new ATOM 1441 N ILE A 102 -11.451 -5.624 11.103 1.00 0.00 N ATOM 1442 CA ILE A 102 -12.317 -5.864 12.302 1.00 0.00 C ATOM 1443 C ILE A 102 -11.566 -6.820 13.249 1.00 0.00 C ATOM 1444 O ILE A 102 -11.464 -7.995 12.969 1.00 0.00 O ATOM 1445 CB ILE A 102 -13.623 -6.522 11.839 1.00 0.00 C ATOM 1446 CG1 ILE A 102 -14.014 -5.948 10.471 1.00 0.00 C ATOM 1447 CG2 ILE A 102 -14.736 -6.236 12.851 1.00 0.00 C ATOM 1448 CD1 ILE A 102 -15.478 -6.279 10.164 1.00 0.00 C ATOM 0 H ILE A 102 -11.485 -6.363 10.401 1.00 0.00 H new ATOM 0 HA ILE A 102 -12.542 -4.929 12.815 1.00 0.00 H new ATOM 0 HB ILE A 102 -13.481 -7.600 11.762 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -13.868 -4.868 10.465 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -13.369 -6.361 9.696 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -15.661 -6.706 12.517 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -14.455 -6.639 13.824 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -14.885 -5.159 12.933 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -15.748 -5.868 9.191 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -15.611 -7.361 10.151 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -16.118 -5.844 10.932 1.00 0.00 H new ATOM 1460 N PRO A 103 -11.041 -6.293 14.329 1.00 0.00 N ATOM 1461 CA PRO A 103 -10.255 -7.094 15.329 1.00 0.00 C ATOM 1462 C PRO A 103 -11.105 -8.151 16.049 1.00 0.00 C ATOM 1463 O PRO A 103 -10.753 -9.312 16.081 1.00 0.00 O ATOM 1464 CB PRO A 103 -9.741 -6.035 16.298 1.00 0.00 C ATOM 1465 CG PRO A 103 -10.670 -4.841 16.161 1.00 0.00 C ATOM 1466 CD PRO A 103 -11.160 -4.848 14.714 1.00 0.00 C ATOM 0 HA PRO A 103 -9.461 -7.673 14.857 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -9.741 -6.412 17.321 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -8.714 -5.757 16.061 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -11.506 -4.916 16.856 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -10.147 -3.912 16.391 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -12.187 -4.491 14.633 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -10.549 -4.208 14.077 1.00 0.00 H new ATOM 1474 N TRP A 104 -12.200 -7.775 16.652 1.00 0.00 N ATOM 1475 CA TRP A 104 -13.019 -8.794 17.381 1.00 0.00 C ATOM 1476 C TRP A 104 -13.419 -9.955 16.453 1.00 0.00 C ATOM 1477 O TRP A 104 -13.932 -10.957 16.908 1.00 0.00 O ATOM 1478 CB TRP A 104 -14.282 -8.139 17.964 1.00 0.00 C ATOM 1479 CG TRP A 104 -15.245 -7.773 16.872 1.00 0.00 C ATOM 1480 CD1 TRP A 104 -16.095 -8.629 16.251 1.00 0.00 C ATOM 1481 CD2 TRP A 104 -15.487 -6.464 16.281 1.00 0.00 C ATOM 1482 NE1 TRP A 104 -16.827 -7.929 15.311 1.00 0.00 N ATOM 1483 CE2 TRP A 104 -16.489 -6.594 15.290 1.00 0.00 C ATOM 1484 CE3 TRP A 104 -14.937 -5.190 16.501 1.00 0.00 C ATOM 1485 CZ2 TRP A 104 -16.929 -5.502 14.546 1.00 0.00 C ATOM 1486 CZ3 TRP A 104 -15.379 -4.087 15.753 1.00 0.00 C ATOM 1487 CH2 TRP A 104 -16.373 -4.244 14.777 1.00 0.00 C ATOM 0 H TRP A 104 -12.562 -6.822 16.674 1.00 0.00 H new ATOM 0 HA TRP A 104 -12.410 -9.196 18.191 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -14.762 -8.823 18.664 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -14.008 -7.247 18.527 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -16.185 -9.685 16.458 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.532 -8.350 14.706 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -14.170 -5.058 17.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -17.695 -5.628 13.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -14.951 -3.112 15.931 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -16.708 -3.392 14.205 1.00 0.00 H new ATOM 1498 N LEU A 105 -13.234 -9.827 15.163 1.00 0.00 N ATOM 1499 CA LEU A 105 -13.647 -10.898 14.242 1.00 0.00 C ATOM 1500 C LEU A 105 -12.558 -11.152 13.198 1.00 0.00 C ATOM 1501 O LEU A 105 -12.790 -11.823 12.212 1.00 0.00 O ATOM 1502 CB LEU A 105 -14.863 -10.359 13.551 1.00 0.00 C ATOM 1503 CG LEU A 105 -16.080 -11.273 13.674 1.00 0.00 C ATOM 1504 CD1 LEU A 105 -16.056 -12.317 12.555 1.00 0.00 C ATOM 1505 CD2 LEU A 105 -16.103 -11.976 15.035 1.00 0.00 C ATOM 0 H LEU A 105 -12.810 -9.014 14.717 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.831 -11.835 14.768 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -15.107 -9.382 13.968 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -14.636 -10.207 12.496 1.00 0.00 H new ATOM 0 HG LEU A 105 -16.979 -10.662 13.588 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -16.926 -12.968 12.646 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -16.078 -11.814 11.588 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -15.147 -12.913 12.633 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -16.980 -12.621 15.097 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -15.201 -12.578 15.149 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -16.144 -11.230 15.829 1.00 0.00 H new ATOM 1517 N ASN A 106 -11.379 -10.630 13.410 1.00 0.00 N ATOM 1518 CA ASN A 106 -10.271 -10.834 12.441 1.00 0.00 C ATOM 1519 C ASN A 106 -10.814 -10.873 11.012 1.00 0.00 C ATOM 1520 O ASN A 106 -10.584 -11.805 10.266 1.00 0.00 O ATOM 1521 CB ASN A 106 -9.578 -12.137 12.789 1.00 0.00 C ATOM 1522 CG ASN A 106 -8.177 -12.158 12.179 1.00 0.00 C ATOM 1523 OD1 ASN A 106 -7.868 -11.368 11.309 1.00 0.00 O ATOM 1524 ND2 ASN A 106 -7.307 -13.037 12.601 1.00 0.00 N ATOM 0 H ASN A 106 -11.137 -10.065 14.224 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.561 -10.009 12.499 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -9.515 -12.248 13.871 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -10.160 -12.980 12.416 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -6.369 -13.060 12.200 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -7.566 -13.700 13.331 1.00 0.00 H new ATOM 1531 N GLN A 107 -11.533 -9.854 10.633 1.00 0.00 N ATOM 1532 CA GLN A 107 -12.103 -9.798 9.258 1.00 0.00 C ATOM 1533 C GLN A 107 -11.488 -8.614 8.513 1.00 0.00 C ATOM 1534 O GLN A 107 -11.873 -7.478 8.701 1.00 0.00 O ATOM 1535 CB GLN A 107 -13.620 -9.619 9.339 1.00 0.00 C ATOM 1536 CG GLN A 107 -14.291 -10.483 8.268 1.00 0.00 C ATOM 1537 CD GLN A 107 -15.477 -9.726 7.667 1.00 0.00 C ATOM 1538 OE1 GLN A 107 -16.164 -9.003 8.361 1.00 0.00 O ATOM 1539 NE2 GLN A 107 -15.746 -9.861 6.398 1.00 0.00 N ATOM 0 H GLN A 107 -11.752 -9.051 11.222 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.879 -10.724 8.728 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.979 -9.903 10.328 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.882 -8.571 9.194 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.573 -10.734 7.487 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.630 -11.423 8.704 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.169 -10.468 5.816 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.534 -9.359 5.987 1.00 0.00 H new ATOM 1548 N ILE A 108 -10.529 -8.876 7.674 1.00 0.00 N ATOM 1549 CA ILE A 108 -9.872 -7.777 6.915 1.00 0.00 C ATOM 1550 C ILE A 108 -10.473 -7.715 5.505 1.00 0.00 C ATOM 1551 O ILE A 108 -10.776 -8.728 4.909 1.00 0.00 O ATOM 1552 CB ILE A 108 -8.358 -8.066 6.877 1.00 0.00 C ATOM 1553 CG1 ILE A 108 -7.607 -6.914 7.550 1.00 0.00 C ATOM 1554 CG2 ILE A 108 -7.857 -8.266 5.435 1.00 0.00 C ATOM 1555 CD1 ILE A 108 -6.178 -6.796 7.017 1.00 0.00 C ATOM 0 H ILE A 108 -10.169 -9.810 7.479 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.035 -6.809 7.389 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.168 -8.993 7.418 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.140 -5.979 7.377 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.583 -7.073 8.628 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.786 -8.468 5.447 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.380 -9.108 4.982 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.050 -7.364 4.854 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -5.671 -5.969 7.514 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -5.639 -7.723 7.213 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.204 -6.612 5.943 1.00 0.00 H new ATOM 1567 N LYS A 109 -10.649 -6.539 4.965 1.00 0.00 N ATOM 1568 CA LYS A 109 -11.233 -6.440 3.598 1.00 0.00 C ATOM 1569 C LYS A 109 -10.784 -5.142 2.926 1.00 0.00 C ATOM 1570 O LYS A 109 -10.826 -4.076 3.512 1.00 0.00 O ATOM 1571 CB LYS A 109 -12.758 -6.459 3.694 1.00 0.00 C ATOM 1572 CG LYS A 109 -13.359 -6.281 2.298 1.00 0.00 C ATOM 1573 CD LYS A 109 -14.784 -6.838 2.281 1.00 0.00 C ATOM 1574 CE LYS A 109 -14.827 -8.105 1.425 1.00 0.00 C ATOM 1575 NZ LYS A 109 -15.214 -9.266 2.275 1.00 0.00 N ATOM 0 H LYS A 109 -10.416 -5.650 5.407 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.890 -7.287 3.003 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.094 -7.400 4.129 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.102 -5.662 4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.366 -5.226 2.026 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -12.747 -6.797 1.558 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.111 -7.061 3.297 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -15.472 -6.093 1.882 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.541 -7.983 0.611 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -13.853 -8.283 0.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.243 -10.128 1.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -14.516 -9.386 3.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -16.153 -9.096 2.689 1.00 0.00 H new ATOM 1589 N LEU A 110 -10.367 -5.222 1.690 1.00 0.00 N ATOM 1590 CA LEU A 110 -9.931 -3.996 0.968 1.00 0.00 C ATOM 1591 C LEU A 110 -11.152 -3.150 0.651 1.00 0.00 C ATOM 1592 O LEU A 110 -12.275 -3.606 0.739 1.00 0.00 O ATOM 1593 CB LEU A 110 -9.222 -4.379 -0.326 1.00 0.00 C ATOM 1594 CG LEU A 110 -8.047 -3.428 -0.564 1.00 0.00 C ATOM 1595 CD1 LEU A 110 -7.216 -3.293 0.715 1.00 0.00 C ATOM 1596 CD2 LEU A 110 -7.170 -3.989 -1.673 1.00 0.00 C ATOM 0 H LEU A 110 -10.310 -6.086 1.151 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.241 -3.430 1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.865 -5.407 -0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.918 -4.330 -1.163 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.429 -2.448 -0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.382 -2.614 0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.841 -2.897 1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -6.832 -4.271 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.330 -3.316 -1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.795 -4.969 -1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.756 -4.084 -2.587 1.00 0.00 H new ATOM 1608 N LEU A 111 -10.952 -1.917 0.294 1.00 0.00 N ATOM 1609 CA LEU A 111 -12.126 -1.057 -0.011 1.00 0.00 C ATOM 1610 C LEU A 111 -11.732 0.032 -0.995 1.00 0.00 C ATOM 1611 O LEU A 111 -11.921 -0.089 -2.190 1.00 0.00 O ATOM 1612 CB LEU A 111 -12.632 -0.414 1.283 1.00 0.00 C ATOM 1613 CG LEU A 111 -13.958 -1.061 1.688 1.00 0.00 C ATOM 1614 CD1 LEU A 111 -13.831 -1.647 3.097 1.00 0.00 C ATOM 1615 CD2 LEU A 111 -15.065 -0.006 1.673 1.00 0.00 C ATOM 0 H LEU A 111 -10.040 -1.470 0.200 1.00 0.00 H new ATOM 0 HA LEU A 111 -12.913 -1.669 -0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.896 -0.540 2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -12.766 0.658 1.141 1.00 0.00 H new ATOM 0 HG LEU A 111 -14.204 -1.856 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -14.776 -2.108 3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -13.042 -2.399 3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -13.585 -0.852 3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -16.010 -0.466 1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -14.819 0.789 2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -15.156 0.412 0.670 1.00 0.00 H new ATOM 1627 N GLU A 112 -11.199 1.097 -0.497 1.00 0.00 N ATOM 1628 CA GLU A 112 -10.797 2.215 -1.404 1.00 0.00 C ATOM 1629 C GLU A 112 -9.319 2.077 -1.779 1.00 0.00 C ATOM 1630 O GLU A 112 -8.484 2.860 -1.370 1.00 0.00 O ATOM 1631 CB GLU A 112 -11.036 3.563 -0.716 1.00 0.00 C ATOM 1632 CG GLU A 112 -12.037 4.383 -1.533 1.00 0.00 C ATOM 1633 CD GLU A 112 -11.288 5.441 -2.344 1.00 0.00 C ATOM 1634 OE1 GLU A 112 -10.847 5.121 -3.435 1.00 0.00 O ATOM 1635 OE2 GLU A 112 -11.167 6.555 -1.860 1.00 0.00 O ATOM 0 H GLU A 112 -11.020 1.253 0.495 1.00 0.00 H new ATOM 0 HA GLU A 112 -11.401 2.168 -2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.417 3.406 0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -10.096 4.107 -0.621 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -12.600 3.730 -2.200 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -12.759 4.861 -0.870 1.00 0.00 H new ATOM 1642 N SER A 113 -8.998 1.091 -2.571 1.00 0.00 N ATOM 1643 CA SER A 113 -7.583 0.892 -3.000 1.00 0.00 C ATOM 1644 C SER A 113 -7.484 1.165 -4.501 1.00 0.00 C ATOM 1645 O SER A 113 -7.854 0.343 -5.316 1.00 0.00 O ATOM 1646 CB SER A 113 -7.159 -0.551 -2.715 1.00 0.00 C ATOM 1647 OG SER A 113 -8.123 -1.443 -3.257 1.00 0.00 O ATOM 0 H SER A 113 -9.660 0.409 -2.942 1.00 0.00 H new ATOM 0 HA SER A 113 -6.930 1.571 -2.453 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.180 -0.747 -3.152 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.065 -0.709 -1.641 1.00 0.00 H new ATOM 0 HG SER A 113 -8.375 -1.146 -4.156 1.00 0.00 H new ATOM 1653 N LYS A 114 -6.999 2.318 -4.877 1.00 0.00 N ATOM 1654 CA LYS A 114 -6.894 2.634 -6.331 1.00 0.00 C ATOM 1655 C LYS A 114 -5.741 3.608 -6.568 1.00 0.00 C ATOM 1656 O LYS A 114 -5.435 4.437 -5.737 1.00 0.00 O ATOM 1657 CB LYS A 114 -8.202 3.270 -6.808 1.00 0.00 C ATOM 1658 CG LYS A 114 -8.913 2.314 -7.767 1.00 0.00 C ATOM 1659 CD LYS A 114 -10.392 2.692 -7.861 1.00 0.00 C ATOM 1660 CE LYS A 114 -10.693 3.235 -9.258 1.00 0.00 C ATOM 1661 NZ LYS A 114 -10.529 2.145 -10.261 1.00 0.00 N ATOM 0 H LYS A 114 -6.673 3.050 -4.246 1.00 0.00 H new ATOM 0 HA LYS A 114 -6.708 1.715 -6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.844 3.491 -5.955 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -7.998 4.217 -7.307 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.451 2.361 -8.753 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.811 1.287 -7.416 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -11.014 1.821 -7.656 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -10.635 3.442 -7.108 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -11.709 3.629 -9.296 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -10.022 4.062 -9.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -11.173 2.310 -11.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -9.547 2.133 -10.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -10.752 1.230 -9.819 1.00 0.00 H new ATOM 1675 N CYS A 115 -5.099 3.512 -7.699 1.00 0.00 N ATOM 1676 CA CYS A 115 -3.964 4.433 -7.991 1.00 0.00 C ATOM 1677 C CYS A 115 -4.277 5.248 -9.248 1.00 0.00 C ATOM 1678 O CYS A 115 -4.501 4.704 -10.311 1.00 0.00 O ATOM 1679 CB CYS A 115 -2.692 3.612 -8.215 1.00 0.00 C ATOM 1680 SG CYS A 115 -2.666 2.217 -7.063 1.00 0.00 S ATOM 0 H CYS A 115 -5.311 2.836 -8.433 1.00 0.00 H new ATOM 0 HA CYS A 115 -3.817 5.111 -7.150 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -2.656 3.250 -9.242 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -1.812 4.237 -8.066 1.00 0.00 H new ATOM 1685 N GLN A 116 -4.294 6.547 -9.133 1.00 0.00 N ATOM 1686 CA GLN A 116 -4.592 7.397 -10.321 1.00 0.00 C ATOM 1687 C GLN A 116 -3.279 7.847 -10.968 1.00 0.00 C ATOM 1688 CB GLN A 116 -5.393 8.624 -9.881 1.00 0.00 C ATOM 1689 CG GLN A 116 -5.671 9.515 -11.094 1.00 0.00 C ATOM 1690 CD GLN A 116 -6.754 8.872 -11.962 1.00 0.00 C ATOM 1691 OE1 GLN A 116 -7.366 7.898 -11.568 1.00 0.00 O ATOM 1692 NE2 GLN A 116 -7.019 9.379 -13.134 1.00 0.00 N ATOM 0 H GLN A 116 -4.115 7.057 -8.268 1.00 0.00 H new ATOM 0 HA GLN A 116 -5.174 6.824 -11.043 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -6.332 8.313 -9.422 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -4.839 9.182 -9.126 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -5.992 10.504 -10.766 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -4.759 9.652 -11.674 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -6.505 10.196 -13.464 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -7.740 8.958 -13.720 1.00 0.00 H new