USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 599 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 224 ASN : amide:sc= -1.16! C(o=-1.4!,f=-1.7!) USER MOD Set 1.2: A 232 THR OG1 : rot 180:sc= -0.28 USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 181 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.2) USER MOD Single : A 182 HIS : no HD1:sc= -0.0196 X(o=-0.02,f=-0.14) USER MOD Single : A 186 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 189 SER OG : rot -31:sc= -0.188 USER MOD Single : A 193 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 194 HIS : no HD1:sc= -2.82 K(o=-2.8,f=-2.1) USER MOD Single : A 195 GLN : amide:sc= -7.37! C(o=-7.4!,f=-10!) USER MOD Single : A 196 TYR OH : rot 180:sc= 0 USER MOD Single : A 197 TYR OH : rot 71:sc= 0.392 USER MOD Single : A 198 ASN : amide:sc= -4.86! C(o=-4.9!,f=-19!) USER MOD Single : A 200 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 THR OG1 : rot 40:sc= 0.533 USER MOD Single : A 207 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.116) USER MOD Single : A 208 GLN : amide:sc= -4.54! C(o=-4.5!,f=-6.1!) USER MOD Single : A 212 TYR OH : rot 38:sc= 1.09 USER MOD Single : A 214 LYS NZ :NH3+ 159:sc= -3.61 (180deg=-4.01) USER MOD Single : A 218 LYS NZ :NH3+ -166:sc=-0.00536 (180deg=-0.209) USER MOD Single : A 223 GLN : amide:sc= -13.4! C(o=-13!,f=-2.1!) USER MOD Single : A 226 LYS NZ :NH3+ -125:sc= -1.07 (180deg=-3.33!) USER MOD Single : A 229 HIS : no HD1:sc= -0.658 X(o=-0.66,f=-0.17) USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 231 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.13) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 239 TYR OH : rot -21:sc= -1.3! USER MOD Single : A 241 HIS : no HD1:sc= -0.763 K(o=-0.76,f=-0.07) USER MOD Single : A 242 TYR OH : rot 180:sc= 0 USER MOD Single : A 243 GLN : amide:sc= 0.475 K(o=0.48,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 3.603 -13.582 -10.463 1.00 0.00 N ATOM 2 CA ARG A 175 3.049 -12.652 -11.488 1.00 0.00 C ATOM 3 C ARG A 175 3.270 -11.203 -11.044 1.00 0.00 C ATOM 4 O ARG A 175 4.360 -10.816 -10.678 1.00 0.00 O ATOM 5 CB ARG A 175 1.551 -12.922 -11.665 1.00 0.00 C ATOM 6 CG ARG A 175 0.843 -12.881 -10.300 1.00 0.00 C ATOM 7 CD ARG A 175 -0.648 -12.601 -10.504 1.00 0.00 C ATOM 8 NE ARG A 175 -1.361 -12.660 -9.183 1.00 0.00 N ATOM 9 CZ ARG A 175 -1.413 -13.761 -8.482 1.00 0.00 C ATOM 10 NH1 ARG A 175 -0.967 -14.881 -8.980 1.00 0.00 N ATOM 11 NH2 ARG A 175 -1.957 -13.751 -7.295 1.00 0.00 N ATOM 0 HA ARG A 175 3.558 -12.813 -12.438 1.00 0.00 H new ATOM 0 HB2 ARG A 175 1.116 -12.178 -12.332 1.00 0.00 H new ATOM 0 HB3 ARG A 175 1.401 -13.895 -12.132 1.00 0.00 H new ATOM 0 HG2 ARG A 175 0.978 -13.830 -9.780 1.00 0.00 H new ATOM 0 HG3 ARG A 175 1.286 -12.108 -9.672 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -0.785 -11.620 -10.958 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -1.074 -13.332 -11.191 1.00 0.00 H new ATOM 0 HE ARG A 175 -1.815 -11.820 -8.825 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -0.575 -14.900 -9.921 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -1.010 -15.738 -8.428 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -2.340 -12.885 -6.917 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -1.999 -14.610 -6.746 1.00 0.00 H new ATOM 25 N ALA A 176 2.242 -10.397 -11.075 1.00 0.00 N ATOM 26 CA ALA A 176 2.399 -8.978 -10.655 1.00 0.00 C ATOM 27 C ALA A 176 2.520 -8.895 -9.130 1.00 0.00 C ATOM 28 O ALA A 176 2.477 -7.823 -8.560 1.00 0.00 O ATOM 29 CB ALA A 176 1.190 -8.160 -11.128 1.00 0.00 C ATOM 0 H ALA A 176 1.303 -10.661 -11.373 1.00 0.00 H new ATOM 0 HA ALA A 176 3.304 -8.571 -11.105 1.00 0.00 H new ATOM 0 HB1 ALA A 176 1.309 -7.122 -10.818 1.00 0.00 H new ATOM 0 HB2 ALA A 176 1.120 -8.209 -12.215 1.00 0.00 H new ATOM 0 HB3 ALA A 176 0.280 -8.568 -10.688 1.00 0.00 H new ATOM 35 N ARG A 177 2.673 -10.008 -8.455 1.00 0.00 N ATOM 36 CA ARG A 177 2.798 -9.949 -6.967 1.00 0.00 C ATOM 37 C ARG A 177 4.142 -9.332 -6.587 1.00 0.00 C ATOM 38 O ARG A 177 4.324 -8.864 -5.481 1.00 0.00 O ATOM 39 CB ARG A 177 2.693 -11.349 -6.354 1.00 0.00 C ATOM 40 CG ARG A 177 2.881 -11.248 -4.833 1.00 0.00 C ATOM 41 CD ARG A 177 2.390 -12.533 -4.164 1.00 0.00 C ATOM 42 NE ARG A 177 2.652 -12.468 -2.697 1.00 0.00 N ATOM 43 CZ ARG A 177 2.064 -13.310 -1.889 1.00 0.00 C ATOM 44 NH1 ARG A 177 1.251 -14.213 -2.366 1.00 0.00 N ATOM 45 NH2 ARG A 177 2.288 -13.250 -0.603 1.00 0.00 N ATOM 0 H ARG A 177 2.716 -10.942 -8.863 1.00 0.00 H new ATOM 0 HA ARG A 177 1.985 -9.335 -6.580 1.00 0.00 H new ATOM 0 HB2 ARG A 177 1.722 -11.788 -6.584 1.00 0.00 H new ATOM 0 HB3 ARG A 177 3.450 -12.005 -6.784 1.00 0.00 H new ATOM 0 HG2 ARG A 177 3.932 -11.083 -4.597 1.00 0.00 H new ATOM 0 HG3 ARG A 177 2.329 -10.392 -4.445 1.00 0.00 H new ATOM 0 HD2 ARG A 177 1.324 -12.665 -4.347 1.00 0.00 H new ATOM 0 HD3 ARG A 177 2.897 -13.396 -4.596 1.00 0.00 H new ATOM 0 HE ARG A 177 3.291 -11.766 -2.324 1.00 0.00 H new ATOM 0 HH11 ARG A 177 1.075 -14.261 -3.369 1.00 0.00 H new ATOM 0 HH12 ARG A 177 0.792 -14.870 -1.735 1.00 0.00 H new ATOM 0 HH21 ARG A 177 2.923 -12.545 -0.228 1.00 0.00 H new ATOM 0 HH22 ARG A 177 1.828 -13.908 0.026 1.00 0.00 H new ATOM 59 N ALA A 178 5.089 -9.304 -7.487 1.00 0.00 N ATOM 60 CA ALA A 178 6.396 -8.685 -7.134 1.00 0.00 C ATOM 61 C ALA A 178 6.132 -7.223 -6.821 1.00 0.00 C ATOM 62 O ALA A 178 6.557 -6.697 -5.812 1.00 0.00 O ATOM 63 CB ALA A 178 7.359 -8.772 -8.318 1.00 0.00 C ATOM 0 H ALA A 178 5.016 -9.676 -8.434 1.00 0.00 H new ATOM 0 HA ALA A 178 6.841 -9.202 -6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 178 8.311 -8.316 -8.047 1.00 0.00 H new ATOM 0 HB2 ALA A 178 7.519 -9.818 -8.581 1.00 0.00 H new ATOM 0 HB3 ALA A 178 6.934 -8.245 -9.172 1.00 0.00 H new ATOM 69 N ASP A 179 5.399 -6.574 -7.676 1.00 0.00 N ATOM 70 CA ASP A 179 5.062 -5.157 -7.431 1.00 0.00 C ATOM 71 C ASP A 179 4.255 -5.069 -6.137 1.00 0.00 C ATOM 72 O ASP A 179 4.449 -4.193 -5.328 1.00 0.00 O ATOM 73 CB ASP A 179 4.221 -4.631 -8.597 1.00 0.00 C ATOM 74 CG ASP A 179 5.104 -4.470 -9.835 1.00 0.00 C ATOM 75 OD1 ASP A 179 6.302 -4.317 -9.667 1.00 0.00 O ATOM 76 OD2 ASP A 179 4.567 -4.505 -10.930 1.00 0.00 O ATOM 0 H ASP A 179 5.019 -6.969 -8.536 1.00 0.00 H new ATOM 0 HA ASP A 179 5.970 -4.560 -7.345 1.00 0.00 H new ATOM 0 HB2 ASP A 179 3.403 -5.320 -8.808 1.00 0.00 H new ATOM 0 HB3 ASP A 179 3.771 -3.674 -8.332 1.00 0.00 H new ATOM 81 N LYS A 180 3.343 -5.980 -5.938 1.00 0.00 N ATOM 82 CA LYS A 180 2.510 -5.946 -4.698 1.00 0.00 C ATOM 83 C LYS A 180 3.396 -5.845 -3.456 1.00 0.00 C ATOM 84 O LYS A 180 3.286 -4.914 -2.686 1.00 0.00 O ATOM 85 CB LYS A 180 1.664 -7.226 -4.615 1.00 0.00 C ATOM 86 CG LYS A 180 0.791 -7.196 -3.352 1.00 0.00 C ATOM 87 CD LYS A 180 -0.104 -8.439 -3.307 1.00 0.00 C ATOM 88 CE LYS A 180 -0.948 -8.404 -2.032 1.00 0.00 C ATOM 89 NZ LYS A 180 -1.785 -9.634 -1.956 1.00 0.00 N ATOM 0 H LYS A 180 3.137 -6.747 -6.578 1.00 0.00 H new ATOM 0 HA LYS A 180 1.861 -5.071 -4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 180 1.034 -7.314 -5.500 1.00 0.00 H new ATOM 0 HB3 LYS A 180 2.314 -8.101 -4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 180 1.422 -7.159 -2.464 1.00 0.00 H new ATOM 0 HG3 LYS A 180 0.178 -6.295 -3.345 1.00 0.00 H new ATOM 0 HD2 LYS A 180 -0.750 -8.469 -4.184 1.00 0.00 H new ATOM 0 HD3 LYS A 180 0.506 -9.342 -3.329 1.00 0.00 H new ATOM 0 HE2 LYS A 180 -0.301 -8.337 -1.157 1.00 0.00 H new ATOM 0 HE3 LYS A 180 -1.583 -7.518 -2.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 -2.359 -9.610 -1.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 -2.412 -9.679 -2.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 -1.170 -10.472 -1.941 1.00 0.00 H new ATOM 103 N GLN A 181 4.260 -6.793 -3.243 1.00 0.00 N ATOM 104 CA GLN A 181 5.129 -6.740 -2.032 1.00 0.00 C ATOM 105 C GLN A 181 5.996 -5.474 -2.064 1.00 0.00 C ATOM 106 O GLN A 181 6.149 -4.783 -1.072 1.00 0.00 O ATOM 107 CB GLN A 181 6.010 -7.994 -1.996 1.00 0.00 C ATOM 108 CG GLN A 181 6.791 -8.043 -0.683 1.00 0.00 C ATOM 109 CD GLN A 181 5.826 -8.319 0.471 1.00 0.00 C ATOM 110 OE1 GLN A 181 5.344 -9.423 0.623 1.00 0.00 O ATOM 111 NE2 GLN A 181 5.520 -7.355 1.294 1.00 0.00 N ATOM 0 H GLN A 181 4.404 -7.600 -3.850 1.00 0.00 H new ATOM 0 HA GLN A 181 4.511 -6.708 -1.134 1.00 0.00 H new ATOM 0 HB2 GLN A 181 5.392 -8.886 -2.095 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.700 -7.989 -2.840 1.00 0.00 H new ATOM 0 HG2 GLN A 181 7.553 -8.821 -0.729 1.00 0.00 H new ATOM 0 HG3 GLN A 181 7.310 -7.098 -0.520 1.00 0.00 H new ATOM 0 HE21 GLN A 181 5.925 -6.428 1.166 1.00 0.00 H new ATOM 0 HE22 GLN A 181 4.876 -7.528 2.066 1.00 0.00 H new ATOM 120 N HIS A 182 6.558 -5.168 -3.196 1.00 0.00 N ATOM 121 CA HIS A 182 7.415 -3.957 -3.324 1.00 0.00 C ATOM 122 C HIS A 182 6.563 -2.697 -3.182 1.00 0.00 C ATOM 123 O HIS A 182 6.991 -1.695 -2.640 1.00 0.00 O ATOM 124 CB HIS A 182 8.064 -4.000 -4.703 1.00 0.00 C ATOM 125 CG HIS A 182 9.016 -2.857 -4.892 1.00 0.00 C ATOM 126 ND1 HIS A 182 9.818 -2.367 -3.876 1.00 0.00 N ATOM 127 CD2 HIS A 182 9.339 -2.137 -6.007 1.00 0.00 C ATOM 128 CE1 HIS A 182 10.588 -1.396 -4.403 1.00 0.00 C ATOM 129 NE2 HIS A 182 10.334 -1.214 -5.701 1.00 0.00 N ATOM 0 H HIS A 182 6.459 -5.713 -4.052 1.00 0.00 H new ATOM 0 HA HIS A 182 8.176 -3.939 -2.544 1.00 0.00 H new ATOM 0 HB2 HIS A 182 8.595 -4.943 -4.828 1.00 0.00 H new ATOM 0 HB3 HIS A 182 7.292 -3.964 -5.472 1.00 0.00 H new ATOM 0 HD2 HIS A 182 8.889 -2.265 -6.981 1.00 0.00 H new ATOM 0 HE1 HIS A 182 11.321 -0.833 -3.844 1.00 0.00 H new ATOM 0 HE2 HIS A 182 10.774 -0.544 -6.332 1.00 0.00 H new ATOM 137 N VAL A 183 5.360 -2.734 -3.677 1.00 0.00 N ATOM 138 CA VAL A 183 4.486 -1.541 -3.582 1.00 0.00 C ATOM 139 C VAL A 183 4.101 -1.292 -2.120 1.00 0.00 C ATOM 140 O VAL A 183 4.037 -0.162 -1.683 1.00 0.00 O ATOM 141 CB VAL A 183 3.232 -1.765 -4.439 1.00 0.00 C ATOM 142 CG1 VAL A 183 2.230 -0.634 -4.177 1.00 0.00 C ATOM 143 CG2 VAL A 183 3.619 -1.787 -5.941 1.00 0.00 C ATOM 0 H VAL A 183 4.946 -3.541 -4.143 1.00 0.00 H new ATOM 0 HA VAL A 183 5.018 -0.664 -3.951 1.00 0.00 H new ATOM 0 HB VAL A 183 2.778 -2.720 -4.176 1.00 0.00 H new ATOM 0 HG11 VAL A 183 1.338 -0.790 -4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 183 1.955 -0.629 -3.122 1.00 0.00 H new ATOM 0 HG13 VAL A 183 2.684 0.322 -4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 183 2.726 -1.946 -6.545 1.00 0.00 H new ATOM 0 HG22 VAL A 183 4.076 -0.835 -6.213 1.00 0.00 H new ATOM 0 HG23 VAL A 183 4.328 -2.595 -6.122 1.00 0.00 H new ATOM 153 N LEU A 184 3.858 -2.327 -1.347 1.00 0.00 N ATOM 154 CA LEU A 184 3.493 -2.094 0.079 1.00 0.00 C ATOM 155 C LEU A 184 4.616 -1.312 0.750 1.00 0.00 C ATOM 156 O LEU A 184 4.383 -0.408 1.526 1.00 0.00 O ATOM 157 CB LEU A 184 3.325 -3.426 0.815 1.00 0.00 C ATOM 158 CG LEU A 184 2.080 -4.170 0.319 1.00 0.00 C ATOM 159 CD1 LEU A 184 2.027 -5.546 0.988 1.00 0.00 C ATOM 160 CD2 LEU A 184 0.804 -3.377 0.657 1.00 0.00 C ATOM 0 H LEU A 184 3.897 -3.303 -1.639 1.00 0.00 H new ATOM 0 HA LEU A 184 2.554 -1.541 0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 184 4.209 -4.045 0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.244 -3.246 1.887 1.00 0.00 H new ATOM 0 HG LEU A 184 2.136 -4.282 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 184 1.145 -6.085 0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 184 2.922 -6.111 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 184 1.976 -5.423 2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.069 -3.921 0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 184 0.731 -3.248 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.845 -2.399 0.177 1.00 0.00 H new ATOM 172 N ASP A 185 5.842 -1.647 0.453 1.00 0.00 N ATOM 173 CA ASP A 185 6.974 -0.914 1.079 1.00 0.00 C ATOM 174 C ASP A 185 6.797 0.575 0.799 1.00 0.00 C ATOM 175 O ASP A 185 7.002 1.410 1.659 1.00 0.00 O ATOM 176 CB ASP A 185 8.294 -1.404 0.482 1.00 0.00 C ATOM 177 CG ASP A 185 8.569 -2.833 0.953 1.00 0.00 C ATOM 178 OD1 ASP A 185 8.172 -3.159 2.060 1.00 0.00 O ATOM 179 OD2 ASP A 185 9.175 -3.579 0.200 1.00 0.00 O ATOM 0 H ASP A 185 6.106 -2.392 -0.192 1.00 0.00 H new ATOM 0 HA ASP A 185 6.989 -1.090 2.155 1.00 0.00 H new ATOM 0 HB2 ASP A 185 8.247 -1.371 -0.607 1.00 0.00 H new ATOM 0 HB3 ASP A 185 9.109 -0.747 0.786 1.00 0.00 H new ATOM 184 N MET A 186 6.405 0.910 -0.400 1.00 0.00 N ATOM 185 CA MET A 186 6.193 2.342 -0.743 1.00 0.00 C ATOM 186 C MET A 186 5.011 2.885 0.068 1.00 0.00 C ATOM 187 O MET A 186 5.011 4.022 0.497 1.00 0.00 O ATOM 188 CB MET A 186 5.899 2.465 -2.241 1.00 0.00 C ATOM 189 CG MET A 186 7.125 2.008 -3.036 1.00 0.00 C ATOM 190 SD MET A 186 8.460 3.214 -2.834 1.00 0.00 S ATOM 191 CE MET A 186 9.579 2.537 -4.086 1.00 0.00 C ATOM 0 H MET A 186 6.222 0.251 -1.157 1.00 0.00 H new ATOM 0 HA MET A 186 7.087 2.918 -0.505 1.00 0.00 H new ATOM 0 HB2 MET A 186 5.033 1.858 -2.505 1.00 0.00 H new ATOM 0 HB3 MET A 186 5.653 3.497 -2.492 1.00 0.00 H new ATOM 0 HG2 MET A 186 7.451 1.027 -2.690 1.00 0.00 H new ATOM 0 HG3 MET A 186 6.870 1.905 -4.091 1.00 0.00 H new ATOM 0 HE1 MET A 186 10.485 3.141 -4.129 1.00 0.00 H new ATOM 0 HE2 MET A 186 9.839 1.511 -3.825 1.00 0.00 H new ATOM 0 HE3 MET A 186 9.087 2.550 -5.059 1.00 0.00 H new ATOM 201 N LEU A 187 4.001 2.081 0.285 1.00 0.00 N ATOM 202 CA LEU A 187 2.826 2.563 1.072 1.00 0.00 C ATOM 203 C LEU A 187 3.259 2.815 2.508 1.00 0.00 C ATOM 204 O LEU A 187 2.948 3.834 3.089 1.00 0.00 O ATOM 205 CB LEU A 187 1.716 1.504 1.079 1.00 0.00 C ATOM 206 CG LEU A 187 1.246 1.180 -0.343 1.00 0.00 C ATOM 207 CD1 LEU A 187 0.043 0.244 -0.253 1.00 0.00 C ATOM 208 CD2 LEU A 187 0.841 2.456 -1.084 1.00 0.00 C ATOM 0 H LEU A 187 3.939 1.118 -0.046 1.00 0.00 H new ATOM 0 HA LEU A 187 2.450 3.479 0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 187 2.080 0.596 1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 187 0.873 1.862 1.670 1.00 0.00 H new ATOM 0 HG LEU A 187 2.061 0.708 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -0.306 0.002 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 187 0.333 -0.672 0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -0.758 0.733 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 187 0.511 2.202 -2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 187 0.028 2.946 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 187 1.696 3.130 -1.141 1.00 0.00 H new ATOM 220 N PHE A 188 3.984 1.906 3.090 1.00 0.00 N ATOM 221 CA PHE A 188 4.424 2.129 4.485 1.00 0.00 C ATOM 222 C PHE A 188 5.228 3.425 4.535 1.00 0.00 C ATOM 223 O PHE A 188 5.046 4.241 5.415 1.00 0.00 O ATOM 224 CB PHE A 188 5.281 0.951 4.964 1.00 0.00 C ATOM 225 CG PHE A 188 4.389 -0.213 5.350 1.00 0.00 C ATOM 226 CD1 PHE A 188 3.660 -0.171 6.547 1.00 0.00 C ATOM 227 CD2 PHE A 188 4.287 -1.331 4.512 1.00 0.00 C ATOM 228 CE1 PHE A 188 2.835 -1.246 6.904 1.00 0.00 C ATOM 229 CE2 PHE A 188 3.464 -2.403 4.870 1.00 0.00 C ATOM 230 CZ PHE A 188 2.739 -2.363 6.064 1.00 0.00 C ATOM 0 H PHE A 188 4.287 1.030 2.665 1.00 0.00 H new ATOM 0 HA PHE A 188 3.558 2.205 5.142 1.00 0.00 H new ATOM 0 HB2 PHE A 188 5.970 0.647 4.176 1.00 0.00 H new ATOM 0 HB3 PHE A 188 5.887 1.254 5.817 1.00 0.00 H new ATOM 0 HD1 PHE A 188 3.734 0.690 7.194 1.00 0.00 H new ATOM 0 HD2 PHE A 188 4.845 -1.365 3.588 1.00 0.00 H new ATOM 0 HE1 PHE A 188 2.274 -1.213 7.826 1.00 0.00 H new ATOM 0 HE2 PHE A 188 3.388 -3.264 4.222 1.00 0.00 H new ATOM 0 HZ PHE A 188 2.105 -3.193 6.339 1.00 0.00 H new ATOM 240 N SER A 189 6.096 3.637 3.587 1.00 0.00 N ATOM 241 CA SER A 189 6.886 4.899 3.588 1.00 0.00 C ATOM 242 C SER A 189 5.922 6.081 3.473 1.00 0.00 C ATOM 243 O SER A 189 6.025 7.062 4.186 1.00 0.00 O ATOM 244 CB SER A 189 7.850 4.908 2.399 1.00 0.00 C ATOM 245 OG SER A 189 7.109 4.837 1.189 1.00 0.00 O ATOM 0 H SER A 189 6.292 2.997 2.817 1.00 0.00 H new ATOM 0 HA SER A 189 7.461 4.974 4.511 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.455 5.814 2.415 1.00 0.00 H new ATOM 0 HB3 SER A 189 8.537 4.064 2.467 1.00 0.00 H new ATOM 0 HG SER A 189 6.284 4.330 1.340 1.00 0.00 H new ATOM 251 N ALA A 190 4.971 5.989 2.587 1.00 0.00 N ATOM 252 CA ALA A 190 3.992 7.094 2.431 1.00 0.00 C ATOM 253 C ALA A 190 3.152 7.204 3.703 1.00 0.00 C ATOM 254 O ALA A 190 2.954 8.277 4.233 1.00 0.00 O ATOM 255 CB ALA A 190 3.085 6.818 1.227 1.00 0.00 C ATOM 0 H ALA A 190 4.831 5.194 1.964 1.00 0.00 H new ATOM 0 HA ALA A 190 4.522 8.032 2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 190 2.368 7.632 1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 190 3.691 6.744 0.324 1.00 0.00 H new ATOM 0 HB3 ALA A 190 2.549 5.882 1.382 1.00 0.00 H new ATOM 261 N PHE A 191 2.665 6.100 4.203 1.00 0.00 N ATOM 262 CA PHE A 191 1.847 6.155 5.446 1.00 0.00 C ATOM 263 C PHE A 191 2.741 6.513 6.628 1.00 0.00 C ATOM 264 O PHE A 191 2.273 6.947 7.661 1.00 0.00 O ATOM 265 CB PHE A 191 1.128 4.818 5.681 1.00 0.00 C ATOM 266 CG PHE A 191 -0.108 4.765 4.809 1.00 0.00 C ATOM 267 CD1 PHE A 191 -1.210 5.559 5.137 1.00 0.00 C ATOM 268 CD2 PHE A 191 -0.148 3.942 3.681 1.00 0.00 C ATOM 269 CE1 PHE A 191 -2.357 5.532 4.341 1.00 0.00 C ATOM 270 CE2 PHE A 191 -1.296 3.914 2.877 1.00 0.00 C ATOM 271 CZ PHE A 191 -2.402 4.709 3.208 1.00 0.00 C ATOM 0 H PHE A 191 2.798 5.169 3.807 1.00 0.00 H new ATOM 0 HA PHE A 191 1.083 6.925 5.339 1.00 0.00 H new ATOM 0 HB2 PHE A 191 1.792 3.987 5.444 1.00 0.00 H new ATOM 0 HB3 PHE A 191 0.853 4.718 6.731 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -1.175 6.196 6.009 1.00 0.00 H new ATOM 0 HD2 PHE A 191 0.704 3.328 3.429 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -3.208 6.145 4.598 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -1.328 3.280 2.003 1.00 0.00 H new ATOM 0 HZ PHE A 191 -3.288 4.687 2.590 1.00 0.00 H new ATOM 281 N GLU A 192 4.025 6.362 6.480 1.00 0.00 N ATOM 282 CA GLU A 192 4.939 6.726 7.593 1.00 0.00 C ATOM 283 C GLU A 192 4.904 8.243 7.775 1.00 0.00 C ATOM 284 O GLU A 192 5.114 8.752 8.857 1.00 0.00 O ATOM 285 CB GLU A 192 6.367 6.296 7.259 1.00 0.00 C ATOM 286 CG GLU A 192 7.276 6.577 8.456 1.00 0.00 C ATOM 287 CD GLU A 192 8.690 6.090 8.142 1.00 0.00 C ATOM 288 OE1 GLU A 192 8.826 5.284 7.235 1.00 0.00 O ATOM 289 OE2 GLU A 192 9.608 6.527 8.812 1.00 0.00 O ATOM 0 H GLU A 192 4.479 6.004 5.640 1.00 0.00 H new ATOM 0 HA GLU A 192 4.620 6.224 8.507 1.00 0.00 H new ATOM 0 HB2 GLU A 192 6.390 5.235 7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 192 6.725 6.835 6.382 1.00 0.00 H new ATOM 0 HG2 GLU A 192 7.287 7.645 8.676 1.00 0.00 H new ATOM 0 HG3 GLU A 192 6.894 6.073 9.344 1.00 0.00 H new ATOM 296 N LYS A 193 4.657 8.977 6.716 1.00 0.00 N ATOM 297 CA LYS A 193 4.630 10.468 6.836 1.00 0.00 C ATOM 298 C LYS A 193 3.229 10.948 7.233 1.00 0.00 C ATOM 299 O LYS A 193 3.076 11.990 7.839 1.00 0.00 O ATOM 300 CB LYS A 193 5.003 11.096 5.490 1.00 0.00 C ATOM 301 CG LYS A 193 6.212 10.374 4.885 1.00 0.00 C ATOM 302 CD LYS A 193 7.400 10.435 5.848 1.00 0.00 C ATOM 303 CE LYS A 193 8.663 9.950 5.131 1.00 0.00 C ATOM 304 NZ LYS A 193 9.814 10.005 6.075 1.00 0.00 N ATOM 0 H LYS A 193 4.474 8.611 5.782 1.00 0.00 H new ATOM 0 HA LYS A 193 5.344 10.768 7.603 1.00 0.00 H new ATOM 0 HB2 LYS A 193 4.156 11.038 4.806 1.00 0.00 H new ATOM 0 HB3 LYS A 193 5.232 12.153 5.625 1.00 0.00 H new ATOM 0 HG2 LYS A 193 5.957 9.335 4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 193 6.481 10.834 3.934 1.00 0.00 H new ATOM 0 HD2 LYS A 193 7.541 11.455 6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 193 7.205 9.815 6.723 1.00 0.00 H new ATOM 0 HE2 LYS A 193 8.522 8.931 4.770 1.00 0.00 H new ATOM 0 HE3 LYS A 193 8.862 10.573 4.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 193 10.675 9.676 5.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 193 9.951 10.984 6.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 193 9.621 9.393 6.894 1.00 0.00 H new ATOM 318 N HIS A 194 2.202 10.206 6.905 1.00 0.00 N ATOM 319 CA HIS A 194 0.822 10.647 7.278 1.00 0.00 C ATOM 320 C HIS A 194 -0.115 9.440 7.364 1.00 0.00 C ATOM 321 O HIS A 194 0.017 8.480 6.642 1.00 0.00 O ATOM 322 CB HIS A 194 0.292 11.640 6.234 1.00 0.00 C ATOM 323 CG HIS A 194 0.965 12.969 6.418 1.00 0.00 C ATOM 324 ND1 HIS A 194 1.647 13.603 5.392 1.00 0.00 N ATOM 325 CD2 HIS A 194 1.071 13.794 7.507 1.00 0.00 C ATOM 326 CE1 HIS A 194 2.132 14.759 5.883 1.00 0.00 C ATOM 327 NE2 HIS A 194 1.810 14.924 7.169 1.00 0.00 N ATOM 0 H HIS A 194 2.257 9.322 6.400 1.00 0.00 H new ATOM 0 HA HIS A 194 0.861 11.134 8.252 1.00 0.00 H new ATOM 0 HB2 HIS A 194 0.480 11.262 5.229 1.00 0.00 H new ATOM 0 HB3 HIS A 194 -0.788 11.750 6.337 1.00 0.00 H new ATOM 0 HD2 HIS A 194 0.646 13.597 8.480 1.00 0.00 H new ATOM 0 HE1 HIS A 194 2.711 15.466 5.308 1.00 0.00 H new ATOM 0 HE2 HIS A 194 2.053 15.709 7.773 1.00 0.00 H new ATOM 335 N GLN A 195 -1.062 9.483 8.253 1.00 0.00 N ATOM 336 CA GLN A 195 -2.013 8.346 8.394 1.00 0.00 C ATOM 337 C GLN A 195 -2.968 8.275 7.192 1.00 0.00 C ATOM 338 O GLN A 195 -3.547 7.241 6.927 1.00 0.00 O ATOM 339 CB GLN A 195 -2.800 8.520 9.703 1.00 0.00 C ATOM 340 CG GLN A 195 -4.041 7.608 9.747 1.00 0.00 C ATOM 341 CD GLN A 195 -3.703 6.189 9.271 1.00 0.00 C ATOM 342 OE1 GLN A 195 -4.506 5.546 8.626 1.00 0.00 O ATOM 343 NE2 GLN A 195 -2.549 5.669 9.554 1.00 0.00 N ATOM 0 H GLN A 195 -1.221 10.261 8.893 1.00 0.00 H new ATOM 0 HA GLN A 195 -1.455 7.410 8.423 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -2.152 8.294 10.550 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -3.109 9.560 9.806 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -4.432 7.570 10.764 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -4.827 8.028 9.119 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -1.868 6.202 10.095 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -2.322 4.727 9.235 1.00 0.00 H new ATOM 352 N TYR A 196 -3.173 9.363 6.479 1.00 0.00 N ATOM 353 CA TYR A 196 -4.143 9.340 5.324 1.00 0.00 C ATOM 354 C TYR A 196 -3.478 9.676 3.973 1.00 0.00 C ATOM 355 O TYR A 196 -2.587 10.498 3.883 1.00 0.00 O ATOM 356 CB TYR A 196 -5.230 10.383 5.585 1.00 0.00 C ATOM 357 CG TYR A 196 -6.064 9.987 6.783 1.00 0.00 C ATOM 358 CD1 TYR A 196 -7.098 9.057 6.630 1.00 0.00 C ATOM 359 CD2 TYR A 196 -5.816 10.560 8.039 1.00 0.00 C ATOM 360 CE1 TYR A 196 -7.887 8.696 7.729 1.00 0.00 C ATOM 361 CE2 TYR A 196 -6.607 10.202 9.138 1.00 0.00 C ATOM 362 CZ TYR A 196 -7.644 9.270 8.985 1.00 0.00 C ATOM 363 OH TYR A 196 -8.425 8.919 10.069 1.00 0.00 O ATOM 0 H TYR A 196 -2.716 10.260 6.643 1.00 0.00 H new ATOM 0 HA TYR A 196 -4.544 8.329 5.257 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -4.774 11.358 5.758 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -5.868 10.481 4.706 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -7.288 8.617 5.662 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -5.016 11.276 8.158 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.683 7.976 7.609 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -6.418 10.644 10.105 1.00 0.00 H new ATOM 0 HH TYR A 196 -8.122 9.408 10.862 1.00 0.00 H new ATOM 373 N TYR A 197 -3.963 9.055 2.916 1.00 0.00 N ATOM 374 CA TYR A 197 -3.440 9.326 1.531 1.00 0.00 C ATOM 375 C TYR A 197 -4.563 9.132 0.500 1.00 0.00 C ATOM 376 O TYR A 197 -5.262 8.138 0.512 1.00 0.00 O ATOM 377 CB TYR A 197 -2.273 8.380 1.194 1.00 0.00 C ATOM 378 CG TYR A 197 -0.980 8.933 1.733 1.00 0.00 C ATOM 379 CD1 TYR A 197 -0.639 8.746 3.070 1.00 0.00 C ATOM 380 CD2 TYR A 197 -0.115 9.628 0.876 1.00 0.00 C ATOM 381 CE1 TYR A 197 0.568 9.256 3.556 1.00 0.00 C ATOM 382 CE2 TYR A 197 1.091 10.140 1.363 1.00 0.00 C ATOM 383 CZ TYR A 197 1.432 9.952 2.704 1.00 0.00 C ATOM 384 OH TYR A 197 2.620 10.450 3.186 1.00 0.00 O ATOM 0 H TYR A 197 -4.710 8.362 2.956 1.00 0.00 H new ATOM 0 HA TYR A 197 -3.082 10.355 1.497 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.460 7.394 1.620 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -2.200 8.252 0.114 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -1.305 8.209 3.729 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -0.381 9.768 -0.161 1.00 0.00 H new ATOM 0 HE1 TYR A 197 0.835 9.112 4.593 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.756 10.679 0.705 1.00 0.00 H new ATOM 0 HH TYR A 197 3.234 9.709 3.372 1.00 0.00 H new ATOM 394 N ASN A 198 -4.724 10.068 -0.409 1.00 0.00 N ATOM 395 CA ASN A 198 -5.786 9.923 -1.455 1.00 0.00 C ATOM 396 C ASN A 198 -5.206 9.185 -2.672 1.00 0.00 C ATOM 397 O ASN A 198 -4.013 8.979 -2.775 1.00 0.00 O ATOM 398 CB ASN A 198 -6.310 11.304 -1.877 1.00 0.00 C ATOM 399 CG ASN A 198 -5.262 12.048 -2.699 1.00 0.00 C ATOM 400 OD1 ASN A 198 -4.088 11.773 -2.596 1.00 0.00 O ATOM 401 ND2 ASN A 198 -5.646 12.984 -3.523 1.00 0.00 N ATOM 0 H ASN A 198 -4.168 10.921 -0.470 1.00 0.00 H new ATOM 0 HA ASN A 198 -6.617 9.348 -1.045 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -7.224 11.190 -2.460 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -6.567 11.887 -0.993 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -4.956 13.486 -4.082 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -6.636 13.214 -3.608 1.00 0.00 H new ATOM 408 N LEU A 199 -6.047 8.781 -3.588 1.00 0.00 N ATOM 409 CA LEU A 199 -5.561 8.048 -4.797 1.00 0.00 C ATOM 410 C LEU A 199 -4.556 8.902 -5.578 1.00 0.00 C ATOM 411 O LEU A 199 -3.536 8.415 -6.025 1.00 0.00 O ATOM 412 CB LEU A 199 -6.756 7.746 -5.709 1.00 0.00 C ATOM 413 CG LEU A 199 -7.710 6.753 -5.034 1.00 0.00 C ATOM 414 CD1 LEU A 199 -8.943 6.567 -5.923 1.00 0.00 C ATOM 415 CD2 LEU A 199 -7.012 5.393 -4.829 1.00 0.00 C ATOM 0 H LEU A 199 -7.056 8.928 -3.551 1.00 0.00 H new ATOM 0 HA LEU A 199 -5.075 7.127 -4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.287 8.669 -5.940 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -6.404 7.335 -6.655 1.00 0.00 H new ATOM 0 HG LEU A 199 -8.006 7.143 -4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -9.628 5.862 -5.452 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -9.444 7.526 -6.056 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.636 6.180 -6.895 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -7.702 4.699 -4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -6.707 4.991 -5.795 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -6.133 5.526 -4.198 1.00 0.00 H new ATOM 427 N LYS A 200 -4.840 10.163 -5.760 1.00 0.00 N ATOM 428 CA LYS A 200 -3.900 11.026 -6.532 1.00 0.00 C ATOM 429 C LYS A 200 -2.527 11.065 -5.860 1.00 0.00 C ATOM 430 O LYS A 200 -1.505 11.080 -6.517 1.00 0.00 O ATOM 431 CB LYS A 200 -4.444 12.446 -6.653 1.00 0.00 C ATOM 432 CG LYS A 200 -3.457 13.280 -7.485 1.00 0.00 C ATOM 433 CD LYS A 200 -4.054 14.659 -7.809 1.00 0.00 C ATOM 434 CE LYS A 200 -4.975 14.561 -9.035 1.00 0.00 C ATOM 435 NZ LYS A 200 -5.427 15.924 -9.442 1.00 0.00 N ATOM 0 H LYS A 200 -5.676 10.631 -5.410 1.00 0.00 H new ATOM 0 HA LYS A 200 -3.799 10.597 -7.529 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -5.425 12.436 -7.128 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -4.573 12.887 -5.665 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -2.523 13.402 -6.937 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -3.218 12.755 -8.410 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -4.615 15.031 -6.952 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -3.254 15.374 -8.002 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -4.447 14.082 -9.860 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -5.838 13.936 -8.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -6.050 15.850 -10.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -5.947 16.366 -8.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -4.600 16.507 -9.681 1.00 0.00 H new ATOM 449 N ASP A 201 -2.479 11.113 -4.564 1.00 0.00 N ATOM 450 CA ASP A 201 -1.151 11.171 -3.894 1.00 0.00 C ATOM 451 C ASP A 201 -0.427 9.837 -4.073 1.00 0.00 C ATOM 452 O ASP A 201 0.770 9.788 -4.271 1.00 0.00 O ATOM 453 CB ASP A 201 -1.327 11.482 -2.405 1.00 0.00 C ATOM 454 CG ASP A 201 -1.786 12.934 -2.248 1.00 0.00 C ATOM 455 OD1 ASP A 201 -1.698 13.671 -3.217 1.00 0.00 O ATOM 456 OD2 ASP A 201 -2.218 13.286 -1.162 1.00 0.00 O ATOM 0 H ASP A 201 -3.288 11.115 -3.943 1.00 0.00 H new ATOM 0 HA ASP A 201 -0.555 11.963 -4.347 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -2.059 10.806 -1.964 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -0.388 11.325 -1.874 1.00 0.00 H new ATOM 461 N LEU A 202 -1.143 8.755 -3.996 1.00 0.00 N ATOM 462 CA LEU A 202 -0.506 7.416 -4.147 1.00 0.00 C ATOM 463 C LEU A 202 0.091 7.242 -5.555 1.00 0.00 C ATOM 464 O LEU A 202 1.141 6.653 -5.712 1.00 0.00 O ATOM 465 CB LEU A 202 -1.565 6.339 -3.878 1.00 0.00 C ATOM 466 CG LEU A 202 -1.936 6.327 -2.382 1.00 0.00 C ATOM 467 CD1 LEU A 202 -3.122 5.381 -2.161 1.00 0.00 C ATOM 468 CD2 LEU A 202 -0.741 5.847 -1.529 1.00 0.00 C ATOM 0 H LEU A 202 -2.150 8.737 -3.834 1.00 0.00 H new ATOM 0 HA LEU A 202 0.312 7.323 -3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 202 -2.453 6.532 -4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 202 -1.185 5.361 -4.175 1.00 0.00 H new ATOM 0 HG LEU A 202 -2.201 7.340 -2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 202 -3.387 5.370 -1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 202 -3.975 5.725 -2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 202 -2.848 4.374 -2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 202 -1.023 5.846 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 202 -0.460 4.838 -1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.105 6.518 -1.677 1.00 0.00 H new ATOM 480 N VAL A 203 -0.553 7.740 -6.578 1.00 0.00 N ATOM 481 CA VAL A 203 0.016 7.578 -7.951 1.00 0.00 C ATOM 482 C VAL A 203 1.310 8.380 -8.074 1.00 0.00 C ATOM 483 O VAL A 203 2.274 7.925 -8.657 1.00 0.00 O ATOM 484 CB VAL A 203 -0.991 8.018 -9.018 1.00 0.00 C ATOM 485 CG1 VAL A 203 -2.118 6.994 -9.102 1.00 0.00 C ATOM 486 CG2 VAL A 203 -1.591 9.357 -8.640 1.00 0.00 C ATOM 0 H VAL A 203 -1.437 8.246 -6.526 1.00 0.00 H new ATOM 0 HA VAL A 203 0.235 6.523 -8.113 1.00 0.00 H new ATOM 0 HB VAL A 203 -0.477 8.099 -9.976 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -2.836 7.305 -9.861 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -1.706 6.021 -9.369 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -2.618 6.923 -8.136 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -2.306 9.664 -9.403 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -2.100 9.270 -7.680 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -0.799 10.102 -8.564 1.00 0.00 H new ATOM 496 N ASP A 204 1.356 9.564 -7.521 1.00 0.00 N ATOM 497 CA ASP A 204 2.613 10.353 -7.616 1.00 0.00 C ATOM 498 C ASP A 204 3.747 9.504 -7.036 1.00 0.00 C ATOM 499 O ASP A 204 4.834 9.446 -7.574 1.00 0.00 O ATOM 500 CB ASP A 204 2.466 11.657 -6.821 1.00 0.00 C ATOM 501 CG ASP A 204 3.642 12.589 -7.126 1.00 0.00 C ATOM 502 OD1 ASP A 204 4.557 12.153 -7.804 1.00 0.00 O ATOM 503 OD2 ASP A 204 3.604 13.724 -6.680 1.00 0.00 O ATOM 0 H ASP A 204 0.590 10.010 -7.016 1.00 0.00 H new ATOM 0 HA ASP A 204 2.829 10.607 -8.654 1.00 0.00 H new ATOM 0 HB2 ASP A 204 1.527 12.146 -7.079 1.00 0.00 H new ATOM 0 HB3 ASP A 204 2.430 11.440 -5.753 1.00 0.00 H new ATOM 508 N ILE A 205 3.493 8.828 -5.948 1.00 0.00 N ATOM 509 CA ILE A 205 4.547 7.963 -5.344 1.00 0.00 C ATOM 510 C ILE A 205 4.807 6.763 -6.267 1.00 0.00 C ATOM 511 O ILE A 205 5.896 6.228 -6.317 1.00 0.00 O ATOM 512 CB ILE A 205 4.092 7.462 -3.971 1.00 0.00 C ATOM 513 CG1 ILE A 205 3.737 8.661 -3.083 1.00 0.00 C ATOM 514 CG2 ILE A 205 5.237 6.675 -3.321 1.00 0.00 C ATOM 515 CD1 ILE A 205 3.282 8.181 -1.698 1.00 0.00 C ATOM 0 H ILE A 205 2.602 8.837 -5.452 1.00 0.00 H new ATOM 0 HA ILE A 205 5.462 8.543 -5.225 1.00 0.00 H new ATOM 0 HB ILE A 205 3.218 6.821 -4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 205 4.602 9.317 -2.982 1.00 0.00 H new ATOM 0 HG13 ILE A 205 2.946 9.247 -3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 205 4.921 6.314 -2.342 1.00 0.00 H new ATOM 0 HG22 ILE A 205 5.500 5.826 -3.953 1.00 0.00 H new ATOM 0 HG23 ILE A 205 6.105 7.324 -3.206 1.00 0.00 H new ATOM 0 HD11 ILE A 205 3.033 9.042 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 205 2.404 7.544 -1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 205 4.086 7.615 -1.227 1.00 0.00 H new ATOM 527 N THR A 206 3.804 6.330 -6.993 1.00 0.00 N ATOM 528 CA THR A 206 3.975 5.162 -7.903 1.00 0.00 C ATOM 529 C THR A 206 3.113 5.354 -9.148 1.00 0.00 C ATOM 530 O THR A 206 1.903 5.335 -9.091 1.00 0.00 O ATOM 531 CB THR A 206 3.536 3.891 -7.176 1.00 0.00 C ATOM 532 OG1 THR A 206 2.241 4.083 -6.626 1.00 0.00 O ATOM 533 CG2 THR A 206 4.532 3.569 -6.062 1.00 0.00 C ATOM 0 H THR A 206 2.870 6.741 -6.992 1.00 0.00 H new ATOM 0 HA THR A 206 5.022 5.078 -8.196 1.00 0.00 H new ATOM 0 HB THR A 206 3.507 3.060 -7.880 1.00 0.00 H new ATOM 0 HG1 THR A 206 1.688 4.586 -7.260 1.00 0.00 H new ATOM 0 HG21 THR A 206 4.218 2.663 -5.544 1.00 0.00 H new ATOM 0 HG22 THR A 206 5.522 3.417 -6.492 1.00 0.00 H new ATOM 0 HG23 THR A 206 4.567 4.397 -5.354 1.00 0.00 H new ATOM 541 N LYS A 207 3.731 5.532 -10.274 1.00 0.00 N ATOM 542 CA LYS A 207 2.959 5.729 -11.527 1.00 0.00 C ATOM 543 C LYS A 207 2.366 4.397 -11.983 1.00 0.00 C ATOM 544 O LYS A 207 2.162 4.170 -13.157 1.00 0.00 O ATOM 545 CB LYS A 207 3.888 6.281 -12.609 1.00 0.00 C ATOM 546 CG LYS A 207 4.321 7.693 -12.216 1.00 0.00 C ATOM 547 CD LYS A 207 5.124 8.324 -13.352 1.00 0.00 C ATOM 548 CE LYS A 207 5.467 9.769 -12.984 1.00 0.00 C ATOM 549 NZ LYS A 207 6.500 9.785 -11.908 1.00 0.00 N ATOM 0 H LYS A 207 4.745 5.550 -10.383 1.00 0.00 H new ATOM 0 HA LYS A 207 2.148 6.435 -11.349 1.00 0.00 H new ATOM 0 HB2 LYS A 207 4.760 5.637 -12.722 1.00 0.00 H new ATOM 0 HB3 LYS A 207 3.377 6.297 -13.572 1.00 0.00 H new ATOM 0 HG2 LYS A 207 3.445 8.303 -11.995 1.00 0.00 H new ATOM 0 HG3 LYS A 207 4.923 7.659 -11.308 1.00 0.00 H new ATOM 0 HD2 LYS A 207 6.037 7.755 -13.528 1.00 0.00 H new ATOM 0 HD3 LYS A 207 4.549 8.299 -14.278 1.00 0.00 H new ATOM 0 HE2 LYS A 207 5.835 10.300 -13.862 1.00 0.00 H new ATOM 0 HE3 LYS A 207 4.571 10.291 -12.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 6.852 10.755 -11.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 6.080 9.449 -11.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 7.289 9.163 -12.175 1.00 0.00 H new ATOM 563 N GLN A 208 2.078 3.513 -11.060 1.00 0.00 N ATOM 564 CA GLN A 208 1.486 2.199 -11.448 1.00 0.00 C ATOM 565 C GLN A 208 -0.032 2.381 -11.630 1.00 0.00 C ATOM 566 O GLN A 208 -0.619 3.253 -11.020 1.00 0.00 O ATOM 567 CB GLN A 208 1.758 1.166 -10.344 1.00 0.00 C ATOM 568 CG GLN A 208 3.266 0.892 -10.260 1.00 0.00 C ATOM 569 CD GLN A 208 3.600 0.184 -8.944 1.00 0.00 C ATOM 570 OE1 GLN A 208 3.232 -0.957 -8.740 1.00 0.00 O ATOM 571 NE2 GLN A 208 4.294 0.816 -8.035 1.00 0.00 N ATOM 0 H GLN A 208 2.227 3.645 -10.060 1.00 0.00 H new ATOM 0 HA GLN A 208 1.932 1.846 -12.378 1.00 0.00 H new ATOM 0 HB2 GLN A 208 1.391 1.536 -9.387 1.00 0.00 H new ATOM 0 HB3 GLN A 208 1.221 0.242 -10.556 1.00 0.00 H new ATOM 0 HG2 GLN A 208 3.579 0.276 -11.103 1.00 0.00 H new ATOM 0 HG3 GLN A 208 3.818 1.829 -10.328 1.00 0.00 H new ATOM 0 HE21 GLN A 208 4.604 1.773 -8.204 1.00 0.00 H new ATOM 0 HE22 GLN A 208 4.526 0.352 -7.157 1.00 0.00 H new ATOM 580 N PRO A 209 -0.676 1.580 -12.455 1.00 0.00 N ATOM 581 CA PRO A 209 -2.148 1.707 -12.680 1.00 0.00 C ATOM 582 C PRO A 209 -2.938 1.774 -11.366 1.00 0.00 C ATOM 583 O PRO A 209 -2.781 0.946 -10.491 1.00 0.00 O ATOM 584 CB PRO A 209 -2.516 0.432 -13.458 1.00 0.00 C ATOM 585 CG PRO A 209 -1.254 0.007 -14.144 1.00 0.00 C ATOM 586 CD PRO A 209 -0.092 0.488 -13.265 1.00 0.00 C ATOM 0 HA PRO A 209 -2.392 2.628 -13.210 1.00 0.00 H new ATOM 0 HB2 PRO A 209 -2.880 -0.346 -12.787 1.00 0.00 H new ATOM 0 HB3 PRO A 209 -3.309 0.627 -14.180 1.00 0.00 H new ATOM 0 HG2 PRO A 209 -1.225 -1.076 -14.265 1.00 0.00 H new ATOM 0 HG3 PRO A 209 -1.190 0.441 -15.142 1.00 0.00 H new ATOM 0 HD2 PRO A 209 0.289 -0.315 -12.634 1.00 0.00 H new ATOM 0 HD3 PRO A 209 0.743 0.843 -13.869 1.00 0.00 H new ATOM 594 N VAL A 210 -3.797 2.747 -11.235 1.00 0.00 N ATOM 595 CA VAL A 210 -4.610 2.867 -9.995 1.00 0.00 C ATOM 596 C VAL A 210 -5.395 1.582 -9.770 1.00 0.00 C ATOM 597 O VAL A 210 -5.464 1.066 -8.673 1.00 0.00 O ATOM 598 CB VAL A 210 -5.588 4.025 -10.147 1.00 0.00 C ATOM 599 CG1 VAL A 210 -4.800 5.316 -10.334 1.00 0.00 C ATOM 600 CG2 VAL A 210 -6.502 3.779 -11.361 1.00 0.00 C ATOM 0 H VAL A 210 -3.970 3.466 -11.937 1.00 0.00 H new ATOM 0 HA VAL A 210 -3.950 3.045 -9.146 1.00 0.00 H new ATOM 0 HB VAL A 210 -6.209 4.105 -9.255 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -5.491 6.152 -10.444 1.00 0.00 H new ATOM 0 HG12 VAL A 210 -4.164 5.483 -9.465 1.00 0.00 H new ATOM 0 HG13 VAL A 210 -4.180 5.238 -11.227 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -7.200 4.610 -11.465 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -5.895 3.699 -12.263 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -7.059 2.854 -11.215 1.00 0.00 H new ATOM 610 N VAL A 211 -5.992 1.062 -10.803 1.00 0.00 N ATOM 611 CA VAL A 211 -6.779 -0.184 -10.649 1.00 0.00 C ATOM 612 C VAL A 211 -5.923 -1.218 -9.931 1.00 0.00 C ATOM 613 O VAL A 211 -6.406 -2.002 -9.142 1.00 0.00 O ATOM 614 CB VAL A 211 -7.170 -0.706 -12.031 1.00 0.00 C ATOM 615 CG1 VAL A 211 -7.929 0.381 -12.793 1.00 0.00 C ATOM 616 CG2 VAL A 211 -5.906 -1.082 -12.808 1.00 0.00 C ATOM 0 H VAL A 211 -5.967 1.448 -11.747 1.00 0.00 H new ATOM 0 HA VAL A 211 -7.682 0.010 -10.070 1.00 0.00 H new ATOM 0 HB VAL A 211 -7.807 -1.584 -11.920 1.00 0.00 H new ATOM 0 HG11 VAL A 211 -8.207 0.008 -13.779 1.00 0.00 H new ATOM 0 HG12 VAL A 211 -8.829 0.652 -12.240 1.00 0.00 H new ATOM 0 HG13 VAL A 211 -7.293 1.259 -12.904 1.00 0.00 H new ATOM 0 HG21 VAL A 211 -6.183 -1.455 -13.794 1.00 0.00 H new ATOM 0 HG22 VAL A 211 -5.271 -0.203 -12.917 1.00 0.00 H new ATOM 0 HG23 VAL A 211 -5.363 -1.857 -12.267 1.00 0.00 H new ATOM 626 N TYR A 212 -4.646 -1.211 -10.185 1.00 0.00 N ATOM 627 CA TYR A 212 -3.752 -2.184 -9.500 1.00 0.00 C ATOM 628 C TYR A 212 -3.579 -1.743 -8.052 1.00 0.00 C ATOM 629 O TYR A 212 -3.636 -2.536 -7.134 1.00 0.00 O ATOM 630 CB TYR A 212 -2.394 -2.215 -10.203 1.00 0.00 C ATOM 631 CG TYR A 212 -1.502 -3.237 -9.539 1.00 0.00 C ATOM 632 CD1 TYR A 212 -1.674 -4.595 -9.827 1.00 0.00 C ATOM 633 CD2 TYR A 212 -0.506 -2.833 -8.640 1.00 0.00 C ATOM 634 CE1 TYR A 212 -0.854 -5.553 -9.220 1.00 0.00 C ATOM 635 CE2 TYR A 212 0.316 -3.793 -8.032 1.00 0.00 C ATOM 636 CZ TYR A 212 0.141 -5.152 -8.322 1.00 0.00 C ATOM 637 OH TYR A 212 0.949 -6.096 -7.723 1.00 0.00 O ATOM 0 H TYR A 212 -4.183 -0.576 -10.835 1.00 0.00 H new ATOM 0 HA TYR A 212 -4.186 -3.183 -9.533 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -2.524 -2.461 -11.257 1.00 0.00 H new ATOM 0 HB3 TYR A 212 -1.929 -1.230 -10.161 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -2.442 -4.905 -10.520 1.00 0.00 H new ATOM 0 HD2 TYR A 212 -0.372 -1.785 -8.416 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -0.989 -6.601 -9.445 1.00 0.00 H new ATOM 0 HE2 TYR A 212 1.085 -3.484 -7.339 1.00 0.00 H new ATOM 0 HH TYR A 212 1.161 -6.802 -8.369 1.00 0.00 H new ATOM 647 N LEU A 213 -3.376 -0.474 -7.845 1.00 0.00 N ATOM 648 CA LEU A 213 -3.211 0.040 -6.460 1.00 0.00 C ATOM 649 C LEU A 213 -4.511 -0.148 -5.691 1.00 0.00 C ATOM 650 O LEU A 213 -4.515 -0.546 -4.546 1.00 0.00 O ATOM 651 CB LEU A 213 -2.878 1.534 -6.505 1.00 0.00 C ATOM 652 CG LEU A 213 -1.526 1.766 -7.191 1.00 0.00 C ATOM 653 CD1 LEU A 213 -1.298 3.274 -7.330 1.00 0.00 C ATOM 654 CD2 LEU A 213 -0.391 1.157 -6.350 1.00 0.00 C ATOM 0 H LEU A 213 -3.317 0.232 -8.579 1.00 0.00 H new ATOM 0 HA LEU A 213 -2.405 -0.506 -5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 213 -3.661 2.070 -7.041 1.00 0.00 H new ATOM 0 HB3 LEU A 213 -2.852 1.937 -5.493 1.00 0.00 H new ATOM 0 HG LEU A 213 -1.532 1.291 -8.172 1.00 0.00 H new ATOM 0 HD11 LEU A 213 -0.339 3.454 -7.817 1.00 0.00 H new ATOM 0 HD12 LEU A 213 -2.097 3.709 -7.930 1.00 0.00 H new ATOM 0 HD13 LEU A 213 -1.295 3.734 -6.342 1.00 0.00 H new ATOM 0 HD21 LEU A 213 0.563 1.329 -6.848 1.00 0.00 H new ATOM 0 HD22 LEU A 213 -0.376 1.625 -5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 213 -0.555 0.085 -6.239 1.00 0.00 H new ATOM 666 N LYS A 214 -5.613 0.157 -6.306 1.00 0.00 N ATOM 667 CA LYS A 214 -6.913 0.025 -5.600 1.00 0.00 C ATOM 668 C LYS A 214 -7.140 -1.421 -5.155 1.00 0.00 C ATOM 669 O LYS A 214 -7.648 -1.669 -4.079 1.00 0.00 O ATOM 670 CB LYS A 214 -8.044 0.461 -6.525 1.00 0.00 C ATOM 671 CG LYS A 214 -7.966 1.984 -6.740 1.00 0.00 C ATOM 672 CD LYS A 214 -9.237 2.502 -7.433 1.00 0.00 C ATOM 673 CE LYS A 214 -10.484 2.216 -6.578 1.00 0.00 C ATOM 674 NZ LYS A 214 -10.121 2.250 -5.131 1.00 0.00 N ATOM 0 H LYS A 214 -5.671 0.492 -7.268 1.00 0.00 H new ATOM 0 HA LYS A 214 -6.896 0.662 -4.716 1.00 0.00 H new ATOM 0 HB2 LYS A 214 -7.968 -0.057 -7.481 1.00 0.00 H new ATOM 0 HB3 LYS A 214 -9.008 0.192 -6.092 1.00 0.00 H new ATOM 0 HG2 LYS A 214 -7.839 2.485 -5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 214 -7.092 2.226 -7.344 1.00 0.00 H new ATOM 0 HD2 LYS A 214 -9.149 3.574 -7.608 1.00 0.00 H new ATOM 0 HD3 LYS A 214 -9.343 2.027 -8.408 1.00 0.00 H new ATOM 0 HE2 LYS A 214 -11.257 2.956 -6.786 1.00 0.00 H new ATOM 0 HE3 LYS A 214 -10.898 1.241 -6.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 214 -10.976 2.413 -4.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 214 -9.693 1.342 -4.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 214 -9.441 3.018 -4.962 1.00 0.00 H new ATOM 688 N GLU A 215 -6.779 -2.378 -5.962 1.00 0.00 N ATOM 689 CA GLU A 215 -6.996 -3.796 -5.556 1.00 0.00 C ATOM 690 C GLU A 215 -6.186 -4.075 -4.293 1.00 0.00 C ATOM 691 O GLU A 215 -6.656 -4.707 -3.366 1.00 0.00 O ATOM 692 CB GLU A 215 -6.540 -4.730 -6.676 1.00 0.00 C ATOM 693 CG GLU A 215 -7.522 -4.629 -7.846 1.00 0.00 C ATOM 694 CD GLU A 215 -6.924 -5.305 -9.082 1.00 0.00 C ATOM 695 OE1 GLU A 215 -5.721 -5.507 -9.100 1.00 0.00 O ATOM 696 OE2 GLU A 215 -7.678 -5.608 -9.992 1.00 0.00 O ATOM 0 H GLU A 215 -6.347 -2.244 -6.876 1.00 0.00 H new ATOM 0 HA GLU A 215 -8.055 -3.967 -5.363 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -5.536 -4.461 -7.004 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -6.492 -5.757 -6.313 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -8.467 -5.103 -7.582 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -7.740 -3.583 -8.061 1.00 0.00 H new ATOM 703 N ILE A 216 -4.978 -3.589 -4.238 1.00 0.00 N ATOM 704 CA ILE A 216 -4.142 -3.809 -3.025 1.00 0.00 C ATOM 705 C ILE A 216 -4.776 -3.064 -1.860 1.00 0.00 C ATOM 706 O ILE A 216 -4.863 -3.564 -0.756 1.00 0.00 O ATOM 707 CB ILE A 216 -2.738 -3.251 -3.266 1.00 0.00 C ATOM 708 CG1 ILE A 216 -2.044 -4.062 -4.363 1.00 0.00 C ATOM 709 CG2 ILE A 216 -1.922 -3.330 -1.974 1.00 0.00 C ATOM 710 CD1 ILE A 216 -0.756 -3.356 -4.788 1.00 0.00 C ATOM 0 H ILE A 216 -4.533 -3.049 -4.980 1.00 0.00 H new ATOM 0 HA ILE A 216 -4.078 -4.875 -2.806 1.00 0.00 H new ATOM 0 HB ILE A 216 -2.814 -2.210 -3.580 1.00 0.00 H new ATOM 0 HG12 ILE A 216 -1.818 -5.065 -4.000 1.00 0.00 H new ATOM 0 HG13 ILE A 216 -2.708 -4.176 -5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 216 -0.923 -2.932 -2.150 1.00 0.00 H new ATOM 0 HG22 ILE A 216 -2.414 -2.745 -1.197 1.00 0.00 H new ATOM 0 HG23 ILE A 216 -1.847 -4.369 -1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 216 -0.264 -3.936 -5.569 1.00 0.00 H new ATOM 0 HD12 ILE A 216 -0.994 -2.363 -5.169 1.00 0.00 H new ATOM 0 HD13 ILE A 216 -0.090 -3.266 -3.930 1.00 0.00 H new ATOM 722 N LEU A 217 -5.226 -1.871 -2.103 1.00 0.00 N ATOM 723 CA LEU A 217 -5.869 -1.084 -1.025 1.00 0.00 C ATOM 724 C LEU A 217 -7.212 -1.735 -0.694 1.00 0.00 C ATOM 725 O LEU A 217 -7.680 -1.714 0.420 1.00 0.00 O ATOM 726 CB LEU A 217 -6.097 0.339 -1.527 1.00 0.00 C ATOM 727 CG LEU A 217 -4.745 1.013 -1.818 1.00 0.00 C ATOM 728 CD1 LEU A 217 -4.965 2.336 -2.570 1.00 0.00 C ATOM 729 CD2 LEU A 217 -3.987 1.287 -0.501 1.00 0.00 C ATOM 0 H LEU A 217 -5.175 -1.404 -3.009 1.00 0.00 H new ATOM 0 HA LEU A 217 -5.240 -1.058 -0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.707 0.322 -2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -6.647 0.913 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 217 -4.150 0.341 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -4.002 2.805 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -5.476 2.138 -3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.574 3.004 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -3.032 1.764 -0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -4.583 1.945 0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -3.810 0.346 0.019 1.00 0.00 H new ATOM 741 N LYS A 218 -7.837 -2.311 -1.667 1.00 0.00 N ATOM 742 CA LYS A 218 -9.150 -2.962 -1.432 1.00 0.00 C ATOM 743 C LYS A 218 -9.001 -4.112 -0.424 1.00 0.00 C ATOM 744 O LYS A 218 -9.863 -4.329 0.406 1.00 0.00 O ATOM 745 CB LYS A 218 -9.673 -3.497 -2.764 1.00 0.00 C ATOM 746 CG LYS A 218 -11.086 -4.064 -2.585 1.00 0.00 C ATOM 747 CD LYS A 218 -11.770 -4.180 -3.953 1.00 0.00 C ATOM 748 CE LYS A 218 -13.170 -4.777 -3.781 1.00 0.00 C ATOM 749 NZ LYS A 218 -13.061 -6.219 -3.417 1.00 0.00 N ATOM 0 H LYS A 218 -7.495 -2.362 -2.627 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.852 -2.237 -1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -9.684 -2.699 -3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -9.006 -4.273 -3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -11.038 -5.042 -2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -11.668 -3.417 -1.929 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -11.838 -3.198 -4.421 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -11.175 -4.808 -4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -13.713 -4.237 -3.006 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -13.739 -4.667 -4.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -13.988 -6.677 -3.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -12.366 -6.682 -4.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -12.753 -6.305 -2.427 1.00 0.00 H new ATOM 763 N GLU A 219 -7.933 -4.866 -0.493 1.00 0.00 N ATOM 764 CA GLU A 219 -7.774 -6.007 0.459 1.00 0.00 C ATOM 765 C GLU A 219 -7.353 -5.509 1.845 1.00 0.00 C ATOM 766 O GLU A 219 -7.983 -5.822 2.834 1.00 0.00 O ATOM 767 CB GLU A 219 -6.717 -6.976 -0.077 1.00 0.00 C ATOM 768 CG GLU A 219 -7.264 -7.683 -1.316 1.00 0.00 C ATOM 769 CD GLU A 219 -6.237 -8.698 -1.822 1.00 0.00 C ATOM 770 OE1 GLU A 219 -5.196 -8.818 -1.198 1.00 0.00 O ATOM 771 OE2 GLU A 219 -6.508 -9.334 -2.827 1.00 0.00 O ATOM 0 H GLU A 219 -7.171 -4.743 -1.160 1.00 0.00 H new ATOM 0 HA GLU A 219 -8.733 -6.516 0.551 1.00 0.00 H new ATOM 0 HB2 GLU A 219 -5.804 -6.435 -0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 219 -6.456 -7.707 0.688 1.00 0.00 H new ATOM 0 HG2 GLU A 219 -8.201 -8.187 -1.076 1.00 0.00 H new ATOM 0 HG3 GLU A 219 -7.485 -6.954 -2.096 1.00 0.00 H new ATOM 778 N ILE A 220 -6.288 -4.746 1.933 1.00 0.00 N ATOM 779 CA ILE A 220 -5.824 -4.245 3.270 1.00 0.00 C ATOM 780 C ILE A 220 -6.166 -2.762 3.453 1.00 0.00 C ATOM 781 O ILE A 220 -6.171 -2.261 4.554 1.00 0.00 O ATOM 782 CB ILE A 220 -4.301 -4.412 3.366 1.00 0.00 C ATOM 783 CG1 ILE A 220 -3.610 -3.656 2.215 1.00 0.00 C ATOM 784 CG2 ILE A 220 -3.940 -5.896 3.282 1.00 0.00 C ATOM 785 CD1 ILE A 220 -2.119 -3.508 2.514 1.00 0.00 C ATOM 0 H ILE A 220 -5.720 -4.449 1.139 1.00 0.00 H new ATOM 0 HA ILE A 220 -6.328 -4.820 4.047 1.00 0.00 H new ATOM 0 HB ILE A 220 -3.962 -4.004 4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 220 -3.751 -4.195 1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 220 -4.064 -2.673 2.089 1.00 0.00 H new ATOM 0 HG21 ILE A 220 -2.858 -6.012 3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 220 -4.415 -6.433 4.103 1.00 0.00 H new ATOM 0 HG23 ILE A 220 -4.289 -6.302 2.333 1.00 0.00 H new ATOM 0 HD11 ILE A 220 -1.635 -2.973 1.697 1.00 0.00 H new ATOM 0 HD12 ILE A 220 -1.987 -2.950 3.441 1.00 0.00 H new ATOM 0 HD13 ILE A 220 -1.669 -4.495 2.618 1.00 0.00 H new ATOM 797 N GLY A 221 -6.415 -2.046 2.390 1.00 0.00 N ATOM 798 CA GLY A 221 -6.703 -0.584 2.530 1.00 0.00 C ATOM 799 C GLY A 221 -8.166 -0.321 2.912 1.00 0.00 C ATOM 800 O GLY A 221 -8.947 -1.228 3.113 1.00 0.00 O ATOM 0 H GLY A 221 -6.432 -2.404 1.435 1.00 0.00 H new ATOM 0 HA2 GLY A 221 -6.048 -0.156 3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 221 -6.477 -0.078 1.591 1.00 0.00 H new ATOM 804 N VAL A 222 -8.518 0.938 3.015 1.00 0.00 N ATOM 805 CA VAL A 222 -9.907 1.336 3.388 1.00 0.00 C ATOM 806 C VAL A 222 -10.230 2.647 2.656 1.00 0.00 C ATOM 807 O VAL A 222 -9.365 3.231 2.045 1.00 0.00 O ATOM 808 CB VAL A 222 -9.976 1.555 4.909 1.00 0.00 C ATOM 809 CG1 VAL A 222 -11.373 2.042 5.307 1.00 0.00 C ATOM 810 CG2 VAL A 222 -9.672 0.236 5.623 1.00 0.00 C ATOM 0 H VAL A 222 -7.885 1.721 2.852 1.00 0.00 H new ATOM 0 HA VAL A 222 -10.623 0.563 3.110 1.00 0.00 H new ATOM 0 HB VAL A 222 -9.243 2.308 5.197 1.00 0.00 H new ATOM 0 HG11 VAL A 222 -11.412 2.194 6.386 1.00 0.00 H new ATOM 0 HG12 VAL A 222 -11.589 2.982 4.800 1.00 0.00 H new ATOM 0 HG13 VAL A 222 -12.114 1.296 5.019 1.00 0.00 H new ATOM 0 HG21 VAL A 222 -9.720 0.387 6.701 1.00 0.00 H new ATOM 0 HG22 VAL A 222 -10.406 -0.515 5.329 1.00 0.00 H new ATOM 0 HG23 VAL A 222 -8.674 -0.105 5.348 1.00 0.00 H new ATOM 820 N GLN A 223 -11.455 3.118 2.703 1.00 0.00 N ATOM 821 CA GLN A 223 -11.812 4.399 1.994 1.00 0.00 C ATOM 822 C GLN A 223 -12.618 5.302 2.927 1.00 0.00 C ATOM 823 O GLN A 223 -13.303 4.840 3.818 1.00 0.00 O ATOM 824 CB GLN A 223 -12.652 4.079 0.753 1.00 0.00 C ATOM 825 CG GLN A 223 -13.087 5.379 0.050 1.00 0.00 C ATOM 826 CD GLN A 223 -11.861 6.224 -0.315 1.00 0.00 C ATOM 827 OE1 GLN A 223 -11.064 5.826 -1.139 1.00 0.00 O ATOM 828 NE2 GLN A 223 -11.681 7.389 0.255 1.00 0.00 N ATOM 0 H GLN A 223 -12.226 2.673 3.201 1.00 0.00 H new ATOM 0 HA GLN A 223 -10.896 4.910 1.698 1.00 0.00 H new ATOM 0 HB2 GLN A 223 -12.075 3.461 0.065 1.00 0.00 H new ATOM 0 HB3 GLN A 223 -13.531 3.501 1.040 1.00 0.00 H new ATOM 0 HG2 GLN A 223 -13.654 5.141 -0.850 1.00 0.00 H new ATOM 0 HG3 GLN A 223 -13.749 5.949 0.702 1.00 0.00 H new ATOM 0 HE21 GLN A 223 -12.349 7.726 0.948 1.00 0.00 H new ATOM 0 HE22 GLN A 223 -10.873 7.959 0.006 1.00 0.00 H new ATOM 837 N ASN A 224 -12.532 6.595 2.731 1.00 0.00 N ATOM 838 CA ASN A 224 -13.281 7.532 3.614 1.00 0.00 C ATOM 839 C ASN A 224 -13.625 8.811 2.842 1.00 0.00 C ATOM 840 O ASN A 224 -12.765 9.454 2.275 1.00 0.00 O ATOM 841 CB ASN A 224 -12.393 7.925 4.798 1.00 0.00 C ATOM 842 CG ASN A 224 -11.560 6.728 5.244 1.00 0.00 C ATOM 843 OD1 ASN A 224 -11.958 5.973 6.108 1.00 0.00 O ATOM 844 ND2 ASN A 224 -10.402 6.530 4.675 1.00 0.00 N ATOM 0 H ASN A 224 -11.976 7.038 1.999 1.00 0.00 H new ATOM 0 HA ASN A 224 -14.192 7.042 3.957 1.00 0.00 H new ATOM 0 HB2 ASN A 224 -11.738 8.749 4.515 1.00 0.00 H new ATOM 0 HB3 ASN A 224 -13.010 8.278 5.625 1.00 0.00 H new ATOM 0 HD21 ASN A 224 -9.825 5.737 4.955 1.00 0.00 H new ATOM 0 HD22 ASN A 224 -10.074 7.168 3.950 1.00 0.00 H new ATOM 851 N VAL A 225 -14.868 9.199 2.859 1.00 0.00 N ATOM 852 CA VAL A 225 -15.291 10.461 2.183 1.00 0.00 C ATOM 853 C VAL A 225 -15.501 11.504 3.281 1.00 0.00 C ATOM 854 O VAL A 225 -16.027 11.195 4.330 1.00 0.00 O ATOM 855 CB VAL A 225 -16.599 10.223 1.435 1.00 0.00 C ATOM 856 CG1 VAL A 225 -16.329 9.355 0.206 1.00 0.00 C ATOM 857 CG2 VAL A 225 -17.576 9.498 2.361 1.00 0.00 C ATOM 0 H VAL A 225 -15.622 8.689 3.319 1.00 0.00 H new ATOM 0 HA VAL A 225 -14.542 10.797 1.466 1.00 0.00 H new ATOM 0 HB VAL A 225 -17.024 11.176 1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -17.262 9.183 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -15.622 9.863 -0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -15.910 8.399 0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -18.514 9.323 1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -17.148 8.543 2.666 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -17.763 10.110 3.243 1.00 0.00 H new ATOM 867 N LYS A 226 -15.056 12.718 3.083 1.00 0.00 N ATOM 868 CA LYS A 226 -15.190 13.757 4.161 1.00 0.00 C ATOM 869 C LYS A 226 -15.877 15.015 3.633 1.00 0.00 C ATOM 870 O LYS A 226 -16.560 14.983 2.628 1.00 0.00 O ATOM 871 CB LYS A 226 -13.791 14.091 4.662 1.00 0.00 C ATOM 872 CG LYS A 226 -13.071 12.769 4.935 1.00 0.00 C ATOM 873 CD LYS A 226 -11.692 13.011 5.546 1.00 0.00 C ATOM 874 CE LYS A 226 -11.812 13.531 6.991 1.00 0.00 C ATOM 875 NZ LYS A 226 -11.951 15.015 6.982 1.00 0.00 N ATOM 0 H LYS A 226 -14.606 13.039 2.226 1.00 0.00 H new ATOM 0 HA LYS A 226 -15.806 13.369 4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 226 -13.248 14.677 3.920 1.00 0.00 H new ATOM 0 HB3 LYS A 226 -13.842 14.694 5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 226 -13.670 12.158 5.611 1.00 0.00 H new ATOM 0 HG3 LYS A 226 -12.967 12.209 4.006 1.00 0.00 H new ATOM 0 HD2 LYS A 226 -11.118 12.084 5.536 1.00 0.00 H new ATOM 0 HD3 LYS A 226 -11.144 13.732 4.940 1.00 0.00 H new ATOM 0 HE2 LYS A 226 -12.675 13.078 7.480 1.00 0.00 H new ATOM 0 HE3 LYS A 226 -10.932 13.242 7.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 -11.212 15.436 7.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 -11.850 15.367 6.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 -12.887 15.278 7.350 1.00 0.00 H new ATOM 889 N GLY A 227 -15.706 16.119 4.333 1.00 0.00 N ATOM 890 CA GLY A 227 -16.342 17.419 3.936 1.00 0.00 C ATOM 891 C GLY A 227 -16.509 17.512 2.415 1.00 0.00 C ATOM 892 O GLY A 227 -17.579 17.287 1.889 1.00 0.00 O ATOM 0 H GLY A 227 -15.140 16.171 5.180 1.00 0.00 H new ATOM 0 HA2 GLY A 227 -17.315 17.513 4.418 1.00 0.00 H new ATOM 0 HA3 GLY A 227 -15.730 18.249 4.289 1.00 0.00 H new ATOM 896 N ILE A 228 -15.463 17.830 1.699 1.00 0.00 N ATOM 897 CA ILE A 228 -15.583 17.919 0.211 1.00 0.00 C ATOM 898 C ILE A 228 -15.367 16.529 -0.390 1.00 0.00 C ATOM 899 O ILE A 228 -14.727 16.373 -1.410 1.00 0.00 O ATOM 900 CB ILE A 228 -14.543 18.905 -0.343 1.00 0.00 C ATOM 901 CG1 ILE A 228 -13.125 18.477 0.065 1.00 0.00 C ATOM 902 CG2 ILE A 228 -14.835 20.304 0.202 1.00 0.00 C ATOM 903 CD1 ILE A 228 -12.099 19.410 -0.589 1.00 0.00 C ATOM 0 H ILE A 228 -14.536 18.031 2.075 1.00 0.00 H new ATOM 0 HA ILE A 228 -16.576 18.280 -0.056 1.00 0.00 H new ATOM 0 HB ILE A 228 -14.604 18.911 -1.431 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -13.022 18.510 1.150 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -12.943 17.447 -0.242 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -14.099 21.007 -0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -15.833 20.614 -0.107 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -14.781 20.289 1.291 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -11.093 19.105 -0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -12.196 19.355 -1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -12.277 20.434 -0.260 1.00 0.00 H new ATOM 915 N HIS A 229 -15.895 15.515 0.248 1.00 0.00 N ATOM 916 CA HIS A 229 -15.716 14.128 -0.269 1.00 0.00 C ATOM 917 C HIS A 229 -14.224 13.869 -0.453 1.00 0.00 C ATOM 918 O HIS A 229 -13.794 13.377 -1.476 1.00 0.00 O ATOM 919 CB HIS A 229 -16.424 13.959 -1.620 1.00 0.00 C ATOM 920 CG HIS A 229 -17.883 14.294 -1.480 1.00 0.00 C ATOM 921 ND1 HIS A 229 -18.763 14.232 -2.552 1.00 0.00 N ATOM 922 CD2 HIS A 229 -18.631 14.695 -0.404 1.00 0.00 C ATOM 923 CE1 HIS A 229 -19.978 14.586 -2.097 1.00 0.00 C ATOM 924 NE2 HIS A 229 -19.954 14.878 -0.794 1.00 0.00 N ATOM 0 H HIS A 229 -16.443 15.590 1.105 1.00 0.00 H new ATOM 0 HA HIS A 229 -16.147 13.422 0.441 1.00 0.00 H new ATOM 0 HB2 HIS A 229 -15.963 14.607 -2.365 1.00 0.00 H new ATOM 0 HB3 HIS A 229 -16.310 12.935 -1.974 1.00 0.00 H new ATOM 0 HD2 HIS A 229 -18.251 14.846 0.596 1.00 0.00 H new ATOM 0 HE1 HIS A 229 -20.866 14.629 -2.711 1.00 0.00 H new ATOM 0 HE2 HIS A 229 -20.737 15.172 -0.210 1.00 0.00 H new ATOM 932 N LYS A 230 -13.425 14.210 0.523 1.00 0.00 N ATOM 933 CA LYS A 230 -11.960 13.992 0.380 1.00 0.00 C ATOM 934 C LYS A 230 -11.685 12.500 0.272 1.00 0.00 C ATOM 935 O LYS A 230 -11.968 11.738 1.175 1.00 0.00 O ATOM 936 CB LYS A 230 -11.223 14.538 1.603 1.00 0.00 C ATOM 937 CG LYS A 230 -11.530 16.024 1.774 1.00 0.00 C ATOM 938 CD LYS A 230 -10.870 16.540 3.057 1.00 0.00 C ATOM 939 CE LYS A 230 -11.407 17.937 3.375 1.00 0.00 C ATOM 940 NZ LYS A 230 -10.847 18.417 4.675 1.00 0.00 N ATOM 0 H LYS A 230 -13.722 14.627 1.405 1.00 0.00 H new ATOM 0 HA LYS A 230 -11.612 14.509 -0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 230 -11.526 13.990 2.495 1.00 0.00 H new ATOM 0 HB3 LYS A 230 -10.149 14.390 1.487 1.00 0.00 H new ATOM 0 HG2 LYS A 230 -11.162 16.583 0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 230 -12.608 16.180 1.819 1.00 0.00 H new ATOM 0 HD2 LYS A 230 -11.077 15.861 3.884 1.00 0.00 H new ATOM 0 HD3 LYS A 230 -9.787 16.573 2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 230 -11.139 18.629 2.577 1.00 0.00 H new ATOM 0 HE3 LYS A 230 -12.496 17.914 3.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 230 -11.217 19.366 4.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 230 -11.124 17.763 5.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 230 -9.810 18.456 4.613 1.00 0.00 H new ATOM 954 N ASN A 231 -11.135 12.073 -0.822 1.00 0.00 N ATOM 955 CA ASN A 231 -10.843 10.628 -0.982 1.00 0.00 C ATOM 956 C ASN A 231 -9.579 10.275 -0.199 1.00 0.00 C ATOM 957 O ASN A 231 -8.509 10.759 -0.507 1.00 0.00 O ATOM 958 CB ASN A 231 -10.615 10.331 -2.463 1.00 0.00 C ATOM 959 CG ASN A 231 -11.651 11.084 -3.295 1.00 0.00 C ATOM 960 OD1 ASN A 231 -12.834 10.855 -3.167 1.00 0.00 O ATOM 961 ND2 ASN A 231 -11.246 11.996 -4.137 1.00 0.00 N ATOM 0 H ASN A 231 -10.874 12.661 -1.613 1.00 0.00 H new ATOM 0 HA ASN A 231 -11.680 10.039 -0.607 1.00 0.00 H new ATOM 0 HB2 ASN A 231 -9.609 10.632 -2.755 1.00 0.00 H new ATOM 0 HB3 ASN A 231 -10.693 9.259 -2.647 1.00 0.00 H new ATOM 0 HD21 ASN A 231 -11.926 12.518 -4.689 1.00 0.00 H new ATOM 0 HD22 ASN A 231 -10.249 12.186 -4.242 1.00 0.00 H new ATOM 968 N THR A 232 -9.682 9.430 0.799 1.00 0.00 N ATOM 969 CA THR A 232 -8.465 9.039 1.582 1.00 0.00 C ATOM 970 C THR A 232 -8.422 7.521 1.719 1.00 0.00 C ATOM 971 O THR A 232 -9.422 6.844 1.575 1.00 0.00 O ATOM 972 CB THR A 232 -8.515 9.663 2.975 1.00 0.00 C ATOM 973 OG1 THR A 232 -9.632 9.152 3.681 1.00 0.00 O ATOM 974 CG2 THR A 232 -8.621 11.179 2.858 1.00 0.00 C ATOM 0 H THR A 232 -10.552 8.995 1.105 1.00 0.00 H new ATOM 0 HA THR A 232 -7.576 9.394 1.060 1.00 0.00 H new ATOM 0 HB THR A 232 -7.603 9.414 3.517 1.00 0.00 H new ATOM 0 HG1 THR A 232 -9.664 9.551 4.576 1.00 0.00 H new ATOM 0 HG21 THR A 232 -8.656 11.619 3.855 1.00 0.00 H new ATOM 0 HG22 THR A 232 -7.754 11.564 2.322 1.00 0.00 H new ATOM 0 HG23 THR A 232 -9.529 11.439 2.314 1.00 0.00 H new ATOM 982 N TRP A 233 -7.264 6.984 2.005 1.00 0.00 N ATOM 983 CA TRP A 233 -7.124 5.505 2.158 1.00 0.00 C ATOM 984 C TRP A 233 -6.227 5.203 3.355 1.00 0.00 C ATOM 985 O TRP A 233 -5.331 5.959 3.671 1.00 0.00 O ATOM 986 CB TRP A 233 -6.485 4.912 0.904 1.00 0.00 C ATOM 987 CG TRP A 233 -7.438 4.979 -0.244 1.00 0.00 C ATOM 988 CD1 TRP A 233 -7.648 6.061 -1.027 1.00 0.00 C ATOM 989 CD2 TRP A 233 -8.302 3.930 -0.757 1.00 0.00 C ATOM 990 NE1 TRP A 233 -8.581 5.736 -1.995 1.00 0.00 N ATOM 991 CE2 TRP A 233 -9.013 4.430 -1.870 1.00 0.00 C ATOM 992 CE3 TRP A 233 -8.528 2.600 -0.368 1.00 0.00 C ATOM 993 CZ2 TRP A 233 -9.920 3.637 -2.574 1.00 0.00 C ATOM 994 CZ3 TRP A 233 -9.440 1.799 -1.070 1.00 0.00 C ATOM 995 CH2 TRP A 233 -10.133 2.313 -2.173 1.00 0.00 C ATOM 0 H TRP A 233 -6.402 7.512 2.140 1.00 0.00 H new ATOM 0 HA TRP A 233 -8.111 5.068 2.308 1.00 0.00 H new ATOM 0 HB2 TRP A 233 -5.573 5.456 0.660 1.00 0.00 H new ATOM 0 HB3 TRP A 233 -6.199 3.876 1.088 1.00 0.00 H new ATOM 0 HD1 TRP A 233 -7.166 7.021 -0.915 1.00 0.00 H new ATOM 0 HE1 TRP A 233 -8.910 6.382 -2.713 1.00 0.00 H new ATOM 0 HE3 TRP A 233 -7.996 2.191 0.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 233 -10.453 4.042 -3.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 233 -9.609 0.779 -0.758 1.00 0.00 H new ATOM 0 HH2 TRP A 233 -10.830 1.689 -2.713 1.00 0.00 H new ATOM 1006 N GLU A 234 -6.463 4.100 4.022 1.00 0.00 N ATOM 1007 CA GLU A 234 -5.620 3.736 5.208 1.00 0.00 C ATOM 1008 C GLU A 234 -5.335 2.232 5.201 1.00 0.00 C ATOM 1009 O GLU A 234 -6.220 1.429 4.986 1.00 0.00 O ATOM 1010 CB GLU A 234 -6.378 4.079 6.491 1.00 0.00 C ATOM 1011 CG GLU A 234 -6.548 5.591 6.611 1.00 0.00 C ATOM 1012 CD GLU A 234 -7.234 5.913 7.939 1.00 0.00 C ATOM 1013 OE1 GLU A 234 -8.389 5.548 8.090 1.00 0.00 O ATOM 1014 OE2 GLU A 234 -6.602 6.527 8.784 1.00 0.00 O ATOM 0 H GLU A 234 -7.203 3.434 3.798 1.00 0.00 H new ATOM 0 HA GLU A 234 -4.683 4.290 5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -7.354 3.595 6.486 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -5.836 3.696 7.356 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -5.577 6.084 6.560 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -7.142 5.970 5.779 1.00 0.00 H new ATOM 1021 N LEU A 235 -4.113 1.837 5.458 1.00 0.00 N ATOM 1022 CA LEU A 235 -3.800 0.380 5.486 1.00 0.00 C ATOM 1023 C LEU A 235 -4.493 -0.225 6.697 1.00 0.00 C ATOM 1024 O LEU A 235 -4.155 0.076 7.818 1.00 0.00 O ATOM 1025 CB LEU A 235 -2.291 0.172 5.623 1.00 0.00 C ATOM 1026 CG LEU A 235 -1.565 0.884 4.481 1.00 0.00 C ATOM 1027 CD1 LEU A 235 -0.055 0.756 4.692 1.00 0.00 C ATOM 1028 CD2 LEU A 235 -1.959 0.257 3.132 1.00 0.00 C ATOM 0 H LEU A 235 -3.326 2.457 5.648 1.00 0.00 H new ATOM 0 HA LEU A 235 -4.141 -0.092 4.564 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -1.947 0.559 6.582 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -2.058 -0.893 5.606 1.00 0.00 H new ATOM 0 HG LEU A 235 -1.847 1.937 4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 235 0.470 1.261 3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 235 0.220 1.213 5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 235 0.223 -0.298 4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.437 0.771 2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -1.685 -0.798 3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -3.035 0.353 2.987 1.00 0.00 H new ATOM 1040 N LYS A 236 -5.457 -1.071 6.485 1.00 0.00 N ATOM 1041 CA LYS A 236 -6.168 -1.683 7.635 1.00 0.00 C ATOM 1042 C LYS A 236 -5.157 -2.517 8.456 1.00 0.00 C ATOM 1043 O LYS A 236 -4.661 -3.515 7.973 1.00 0.00 O ATOM 1044 CB LYS A 236 -7.276 -2.593 7.097 1.00 0.00 C ATOM 1045 CG LYS A 236 -8.094 -3.144 8.269 1.00 0.00 C ATOM 1046 CD LYS A 236 -9.287 -3.972 7.748 1.00 0.00 C ATOM 1047 CE LYS A 236 -10.488 -3.057 7.465 1.00 0.00 C ATOM 1048 NZ LYS A 236 -11.582 -3.846 6.829 1.00 0.00 N ATOM 0 H LYS A 236 -5.783 -1.365 5.564 1.00 0.00 H new ATOM 0 HA LYS A 236 -6.605 -0.913 8.271 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -7.922 -2.036 6.418 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -6.843 -3.413 6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -7.461 -3.765 8.903 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -8.455 -2.322 8.887 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -9.002 -4.501 6.839 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -9.562 -4.728 8.483 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -10.842 -2.608 8.393 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -10.188 -2.239 6.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -12.393 -3.224 6.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -11.241 -4.254 5.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -11.875 -4.611 7.469 1.00 0.00 H new ATOM 1062 N PRO A 237 -4.842 -2.131 9.682 1.00 0.00 N ATOM 1063 CA PRO A 237 -3.872 -2.886 10.533 1.00 0.00 C ATOM 1064 C PRO A 237 -4.555 -3.968 11.377 1.00 0.00 C ATOM 1065 O PRO A 237 -3.968 -4.534 12.278 1.00 0.00 O ATOM 1066 CB PRO A 237 -3.305 -1.797 11.434 1.00 0.00 C ATOM 1067 CG PRO A 237 -4.443 -0.843 11.651 1.00 0.00 C ATOM 1068 CD PRO A 237 -5.350 -0.944 10.408 1.00 0.00 C ATOM 0 HA PRO A 237 -3.126 -3.417 9.941 1.00 0.00 H new ATOM 0 HB2 PRO A 237 -2.951 -2.210 12.378 1.00 0.00 H new ATOM 0 HB3 PRO A 237 -2.456 -1.299 10.966 1.00 0.00 H new ATOM 0 HG2 PRO A 237 -4.996 -1.099 12.555 1.00 0.00 H new ATOM 0 HG3 PRO A 237 -4.075 0.175 11.780 1.00 0.00 H new ATOM 0 HD2 PRO A 237 -6.396 -1.066 10.688 1.00 0.00 H new ATOM 0 HD3 PRO A 237 -5.287 -0.045 9.795 1.00 0.00 H new ATOM 1076 N GLU A 238 -5.799 -4.214 11.117 1.00 0.00 N ATOM 1077 CA GLU A 238 -6.561 -5.212 11.924 1.00 0.00 C ATOM 1078 C GLU A 238 -5.907 -6.601 11.886 1.00 0.00 C ATOM 1079 O GLU A 238 -5.904 -7.305 12.878 1.00 0.00 O ATOM 1080 CB GLU A 238 -7.987 -5.311 11.375 1.00 0.00 C ATOM 1081 CG GLU A 238 -8.713 -3.987 11.615 1.00 0.00 C ATOM 1082 CD GLU A 238 -10.167 -4.100 11.149 1.00 0.00 C ATOM 1083 OE1 GLU A 238 -10.563 -5.188 10.766 1.00 0.00 O ATOM 1084 OE2 GLU A 238 -10.857 -3.094 11.177 1.00 0.00 O ATOM 0 H GLU A 238 -6.333 -3.765 10.373 1.00 0.00 H new ATOM 0 HA GLU A 238 -6.567 -4.875 12.961 1.00 0.00 H new ATOM 0 HB2 GLU A 238 -7.964 -5.538 10.309 1.00 0.00 H new ATOM 0 HB3 GLU A 238 -8.521 -6.126 11.863 1.00 0.00 H new ATOM 0 HG2 GLU A 238 -8.680 -3.730 12.674 1.00 0.00 H new ATOM 0 HG3 GLU A 238 -8.210 -3.183 11.077 1.00 0.00 H new ATOM 1091 N TYR A 239 -5.385 -7.022 10.757 1.00 0.00 N ATOM 1092 CA TYR A 239 -4.768 -8.391 10.672 1.00 0.00 C ATOM 1093 C TYR A 239 -3.383 -8.370 9.996 1.00 0.00 C ATOM 1094 O TYR A 239 -2.978 -9.354 9.407 1.00 0.00 O ATOM 1095 CB TYR A 239 -5.710 -9.295 9.880 1.00 0.00 C ATOM 1096 CG TYR A 239 -5.863 -8.760 8.483 1.00 0.00 C ATOM 1097 CD1 TYR A 239 -6.768 -7.725 8.241 1.00 0.00 C ATOM 1098 CD2 TYR A 239 -5.107 -9.292 7.434 1.00 0.00 C ATOM 1099 CE1 TYR A 239 -6.924 -7.216 6.953 1.00 0.00 C ATOM 1100 CE2 TYR A 239 -5.262 -8.786 6.139 1.00 0.00 C ATOM 1101 CZ TYR A 239 -6.172 -7.745 5.899 1.00 0.00 C ATOM 1102 OH TYR A 239 -6.336 -7.252 4.623 1.00 0.00 O ATOM 0 H TYR A 239 -5.358 -6.481 9.893 1.00 0.00 H new ATOM 0 HA TYR A 239 -4.623 -8.764 11.686 1.00 0.00 H new ATOM 0 HB2 TYR A 239 -5.317 -10.311 9.850 1.00 0.00 H new ATOM 0 HB3 TYR A 239 -6.682 -9.344 10.371 1.00 0.00 H new ATOM 0 HD1 TYR A 239 -7.349 -7.317 9.055 1.00 0.00 H new ATOM 0 HD2 TYR A 239 -4.406 -10.091 7.623 1.00 0.00 H new ATOM 0 HE1 TYR A 239 -7.624 -6.415 6.769 1.00 0.00 H new ATOM 0 HE2 TYR A 239 -4.682 -9.196 5.325 1.00 0.00 H new ATOM 0 HH TYR A 239 -7.206 -6.806 4.554 1.00 0.00 H new ATOM 1112 N ARG A 240 -2.629 -7.300 10.088 1.00 0.00 N ATOM 1113 CA ARG A 240 -1.269 -7.326 9.455 1.00 0.00 C ATOM 1114 C ARG A 240 -0.322 -8.149 10.328 1.00 0.00 C ATOM 1115 O ARG A 240 0.362 -7.628 11.186 1.00 0.00 O ATOM 1116 CB ARG A 240 -0.695 -5.901 9.277 1.00 0.00 C ATOM 1117 CG ARG A 240 -1.210 -5.261 7.968 1.00 0.00 C ATOM 1118 CD ARG A 240 -0.451 -5.837 6.739 1.00 0.00 C ATOM 1119 NE ARG A 240 0.173 -4.725 5.953 1.00 0.00 N ATOM 1120 CZ ARG A 240 -0.525 -3.705 5.552 1.00 0.00 C ATOM 1121 NH1 ARG A 240 -1.799 -3.631 5.835 1.00 0.00 N ATOM 1122 NH2 ARG A 240 0.050 -2.764 4.854 1.00 0.00 N ATOM 0 H ARG A 240 -2.885 -6.432 10.559 1.00 0.00 H new ATOM 0 HA ARG A 240 -1.364 -7.776 8.467 1.00 0.00 H new ATOM 0 HB2 ARG A 240 -0.980 -5.281 10.127 1.00 0.00 H new ATOM 0 HB3 ARG A 240 0.394 -5.942 9.263 1.00 0.00 H new ATOM 0 HG2 ARG A 240 -2.279 -5.448 7.862 1.00 0.00 H new ATOM 0 HG3 ARG A 240 -1.078 -4.180 8.009 1.00 0.00 H new ATOM 0 HD2 ARG A 240 0.318 -6.535 7.071 1.00 0.00 H new ATOM 0 HD3 ARG A 240 -1.139 -6.398 6.107 1.00 0.00 H new ATOM 0 HE ARG A 240 1.167 -4.769 5.728 1.00 0.00 H new ATOM 0 HH11 ARG A 240 -2.246 -4.374 6.371 1.00 0.00 H new ATOM 0 HH12 ARG A 240 -2.346 -2.830 5.520 1.00 0.00 H new ATOM 0 HH21 ARG A 240 1.042 -2.832 4.626 1.00 0.00 H new ATOM 0 HH22 ARG A 240 -0.493 -1.961 4.536 1.00 0.00 H new ATOM 1136 N HIS A 241 -0.256 -9.433 10.094 1.00 0.00 N ATOM 1137 CA HIS A 241 0.669 -10.281 10.890 1.00 0.00 C ATOM 1138 C HIS A 241 2.080 -9.892 10.470 1.00 0.00 C ATOM 1139 O HIS A 241 3.032 -9.991 11.218 1.00 0.00 O ATOM 1140 CB HIS A 241 0.420 -11.754 10.561 1.00 0.00 C ATOM 1141 CG HIS A 241 -1.031 -12.084 10.797 1.00 0.00 C ATOM 1142 ND1 HIS A 241 -1.499 -12.524 12.024 1.00 0.00 N ATOM 1143 CD2 HIS A 241 -2.130 -12.034 9.971 1.00 0.00 C ATOM 1144 CE1 HIS A 241 -2.825 -12.723 11.905 1.00 0.00 C ATOM 1145 NE2 HIS A 241 -3.260 -12.438 10.675 1.00 0.00 N ATOM 0 H HIS A 241 -0.802 -9.927 9.388 1.00 0.00 H new ATOM 0 HA HIS A 241 0.522 -10.138 11.961 1.00 0.00 H new ATOM 0 HB2 HIS A 241 0.686 -11.956 9.523 1.00 0.00 H new ATOM 0 HB3 HIS A 241 1.054 -12.388 11.181 1.00 0.00 H new ATOM 0 HD2 HIS A 241 -2.118 -11.728 8.935 1.00 0.00 H new ATOM 0 HE1 HIS A 241 -3.460 -13.071 12.707 1.00 0.00 H new ATOM 0 HE2 HIS A 241 -4.216 -12.503 10.326 1.00 0.00 H new ATOM 1153 N TYR A 242 2.190 -9.419 9.261 1.00 0.00 N ATOM 1154 CA TYR A 242 3.497 -8.971 8.719 1.00 0.00 C ATOM 1155 C TYR A 242 3.836 -7.591 9.298 1.00 0.00 C ATOM 1156 O TYR A 242 2.969 -6.764 9.494 1.00 0.00 O ATOM 1157 CB TYR A 242 3.377 -8.902 7.190 1.00 0.00 C ATOM 1158 CG TYR A 242 4.562 -8.173 6.607 1.00 0.00 C ATOM 1159 CD1 TYR A 242 5.852 -8.662 6.813 1.00 0.00 C ATOM 1160 CD2 TYR A 242 4.365 -6.999 5.864 1.00 0.00 C ATOM 1161 CE1 TYR A 242 6.950 -7.982 6.277 1.00 0.00 C ATOM 1162 CE2 TYR A 242 5.459 -6.320 5.328 1.00 0.00 C ATOM 1163 CZ TYR A 242 6.756 -6.810 5.536 1.00 0.00 C ATOM 1164 OH TYR A 242 7.840 -6.140 5.008 1.00 0.00 O ATOM 0 H TYR A 242 1.408 -9.323 8.613 1.00 0.00 H new ATOM 0 HA TYR A 242 4.293 -9.664 8.992 1.00 0.00 H new ATOM 0 HB2 TYR A 242 3.321 -9.909 6.777 1.00 0.00 H new ATOM 0 HB3 TYR A 242 2.455 -8.392 6.913 1.00 0.00 H new ATOM 0 HD1 TYR A 242 6.003 -9.565 7.386 1.00 0.00 H new ATOM 0 HD2 TYR A 242 3.366 -6.621 5.707 1.00 0.00 H new ATOM 0 HE1 TYR A 242 7.949 -8.361 6.435 1.00 0.00 H new ATOM 0 HE2 TYR A 242 5.307 -5.418 4.754 1.00 0.00 H new ATOM 0 HH TYR A 242 7.530 -5.348 4.521 1.00 0.00 H new ATOM 1174 N GLN A 243 5.092 -7.339 9.576 1.00 0.00 N ATOM 1175 CA GLN A 243 5.494 -6.014 10.150 1.00 0.00 C ATOM 1176 C GLN A 243 6.795 -5.546 9.493 1.00 0.00 C ATOM 1177 O GLN A 243 7.753 -6.284 9.388 1.00 0.00 O ATOM 1178 CB GLN A 243 5.710 -6.158 11.661 1.00 0.00 C ATOM 1179 CG GLN A 243 4.386 -6.513 12.350 1.00 0.00 C ATOM 1180 CD GLN A 243 3.385 -5.363 12.200 1.00 0.00 C ATOM 1181 OE1 GLN A 243 3.755 -4.207 12.247 1.00 0.00 O ATOM 1182 NE2 GLN A 243 2.121 -5.637 12.025 1.00 0.00 N ATOM 0 H GLN A 243 5.859 -7.995 9.430 1.00 0.00 H new ATOM 0 HA GLN A 243 4.708 -5.283 9.961 1.00 0.00 H new ATOM 0 HB2 GLN A 243 6.451 -6.933 11.858 1.00 0.00 H new ATOM 0 HB3 GLN A 243 6.104 -5.228 12.070 1.00 0.00 H new ATOM 0 HG2 GLN A 243 3.973 -7.423 11.914 1.00 0.00 H new ATOM 0 HG3 GLN A 243 4.561 -6.717 13.406 1.00 0.00 H new ATOM 0 HE21 GLN A 243 1.810 -6.608 11.986 1.00 0.00 H new ATOM 0 HE22 GLN A 243 1.444 -4.880 11.928 1.00 0.00 H new TER 1191 GLN A 243