USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 862 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 97 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 115 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-2.7!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -33:sc= -2.28! USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 94:sc= -0.42 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= -0.825 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 35:sc= 0.384 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.00104) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0104) USER MOD Single : A 55 MET CE :methyl 176:sc= -1.33 (180deg=-1.34) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.141) USER MOD Single : A 70 ASN :FLIP amide:sc= -1.91 F(o=-6.6!,f=-1.9) USER MOD Single : A 71 SER OG : rot -8:sc= 1.04 USER MOD Single : A 74 SER OG : rot 135:sc= -0.157 USER MOD Single : A 80 THR OG1 : rot -83:sc= -0.719! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -1.511 0.758 14.840 1.00 0.00 N ATOM 21 CA LYS A 2 -0.871 0.265 13.625 1.00 0.00 C ATOM 22 C LYS A 2 -1.911 -0.235 12.625 1.00 0.00 C ATOM 23 O LYS A 2 -2.776 -1.042 12.963 1.00 0.00 O ATOM 24 CB LYS A 2 0.115 -0.856 13.960 1.00 0.00 C ATOM 25 CG LYS A 2 1.135 -0.474 15.021 1.00 0.00 C ATOM 26 CD LYS A 2 2.059 0.636 14.536 1.00 0.00 C ATOM 27 CE LYS A 2 3.519 0.222 14.621 1.00 0.00 C ATOM 28 NZ LYS A 2 4.148 0.660 15.898 1.00 0.00 N ATOM 0 HA LYS A 2 -0.326 1.093 13.170 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.442 -1.728 14.301 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.641 -1.149 13.051 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.618 -0.149 15.924 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.726 -1.349 15.290 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.812 0.893 13.506 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.898 1.532 15.135 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.595 -0.862 14.532 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.067 0.650 13.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.143 0.358 15.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.099 1.696 15.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.642 0.232 16.699 1.00 0.00 H new ATOM 42 N ARG A 3 -1.819 0.254 11.392 1.00 0.00 N ATOM 43 CA ARG A 3 -2.752 -0.137 10.338 1.00 0.00 C ATOM 44 C ARG A 3 -2.187 0.206 8.962 1.00 0.00 C ATOM 45 O ARG A 3 -1.792 1.343 8.715 1.00 0.00 O ATOM 46 CB ARG A 3 -4.106 0.555 10.531 1.00 0.00 C ATOM 47 CG ARG A 3 -4.037 1.837 11.346 1.00 0.00 C ATOM 48 CD ARG A 3 -3.323 2.943 10.586 1.00 0.00 C ATOM 49 NE ARG A 3 -3.531 4.251 11.202 1.00 0.00 N ATOM 50 CZ ARG A 3 -2.896 4.665 12.297 1.00 0.00 C ATOM 51 NH1 ARG A 3 -2.015 3.876 12.900 1.00 0.00 N ATOM 52 NH2 ARG A 3 -3.144 5.870 12.791 1.00 0.00 N ATOM 0 H ARG A 3 -1.107 0.923 11.097 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.895 -1.216 10.400 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.529 0.782 9.552 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.790 -0.138 11.021 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.046 2.162 11.601 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -3.517 1.645 12.285 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.256 2.726 10.547 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.681 2.966 9.557 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.202 4.885 10.768 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -1.821 2.947 12.525 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -1.532 4.198 13.738 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -3.821 6.480 12.332 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -2.658 6.187 13.630 1.00 0.00 H new ATOM 66 N VAL A 4 -2.157 -0.776 8.065 1.00 0.00 N ATOM 67 CA VAL A 4 -1.645 -0.560 6.715 1.00 0.00 C ATOM 68 C VAL A 4 -2.746 -0.775 5.680 1.00 0.00 C ATOM 69 O VAL A 4 -3.597 -1.645 5.841 1.00 0.00 O ATOM 70 CB VAL A 4 -0.464 -1.499 6.399 1.00 0.00 C ATOM 71 CG1 VAL A 4 0.132 -1.170 5.036 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.599 -1.408 7.486 1.00 0.00 C ATOM 0 H VAL A 4 -2.480 -1.726 8.248 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.294 0.471 6.667 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.838 -2.523 6.371 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.964 -1.843 4.831 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.631 -1.291 4.267 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.489 -0.140 5.034 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.424 -2.078 7.245 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.969 -0.385 7.548 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.166 -1.696 8.444 1.00 0.00 H new ATOM 82 N LEU A 5 -2.727 0.023 4.621 1.00 0.00 N ATOM 83 CA LEU A 5 -3.730 -0.088 3.569 1.00 0.00 C ATOM 84 C LEU A 5 -3.214 -0.927 2.407 1.00 0.00 C ATOM 85 O LEU A 5 -2.101 -0.720 1.926 1.00 0.00 O ATOM 86 CB LEU A 5 -4.139 1.297 3.064 1.00 0.00 C ATOM 87 CG LEU A 5 -5.413 1.320 2.221 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.576 0.735 3.007 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.732 2.737 1.765 1.00 0.00 C ATOM 0 H LEU A 5 -2.031 0.752 4.467 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.603 -0.583 3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.276 1.956 3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.321 1.709 2.473 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.251 0.708 1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.477 0.758 2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.349 -0.295 3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.737 1.323 3.911 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.643 2.730 1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.875 3.376 2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.907 3.121 1.165 1.00 0.00 H new ATOM 101 N VAL A 6 -4.033 -1.872 1.958 1.00 0.00 N ATOM 102 CA VAL A 6 -3.660 -2.738 0.847 1.00 0.00 C ATOM 103 C VAL A 6 -4.583 -2.530 -0.344 1.00 0.00 C ATOM 104 O VAL A 6 -5.600 -3.210 -0.481 1.00 0.00 O ATOM 105 CB VAL A 6 -3.698 -4.221 1.248 1.00 0.00 C ATOM 106 CG1 VAL A 6 -3.125 -5.084 0.135 1.00 0.00 C ATOM 107 CG2 VAL A 6 -2.946 -4.441 2.551 1.00 0.00 C ATOM 0 H VAL A 6 -4.958 -2.057 2.346 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.640 -2.469 0.571 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.736 -4.514 1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.158 -6.132 0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.713 -4.946 -0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.092 -4.794 -0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.984 -5.497 2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.907 -4.135 2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.407 -3.849 3.342 1.00 0.00 H new ATOM 117 N VAL A 7 -4.224 -1.592 -1.206 1.00 0.00 N ATOM 118 CA VAL A 7 -5.025 -1.304 -2.384 1.00 0.00 C ATOM 119 C VAL A 7 -4.674 -2.242 -3.530 1.00 0.00 C ATOM 120 O VAL A 7 -3.573 -2.193 -4.077 1.00 0.00 O ATOM 121 CB VAL A 7 -4.850 0.157 -2.846 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.822 0.486 -3.967 1.00 0.00 C ATOM 123 CG2 VAL A 7 -5.031 1.111 -1.675 1.00 0.00 C ATOM 0 H VAL A 7 -3.386 -1.019 -1.112 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.067 -1.459 -2.102 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.837 0.277 -3.231 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.682 1.521 -4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.638 -0.175 -4.814 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.844 0.348 -3.614 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.904 2.137 -2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.030 0.989 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.288 0.891 -0.908 1.00 0.00 H new ATOM 133 N ASP A 8 -5.619 -3.102 -3.887 1.00 0.00 N ATOM 134 CA ASP A 8 -5.416 -4.058 -4.965 1.00 0.00 C ATOM 135 C ASP A 8 -6.721 -4.303 -5.717 1.00 0.00 C ATOM 136 O ASP A 8 -7.781 -4.452 -5.107 1.00 0.00 O ATOM 137 CB ASP A 8 -4.864 -5.374 -4.403 1.00 0.00 C ATOM 138 CG ASP A 8 -4.757 -6.464 -5.453 1.00 0.00 C ATOM 139 OD1 ASP A 8 -4.808 -6.135 -6.657 1.00 0.00 O ATOM 140 OD2 ASP A 8 -4.622 -7.645 -5.071 1.00 0.00 O ATOM 0 H ASP A 8 -6.536 -3.156 -3.444 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.691 -3.645 -5.667 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.880 -5.194 -3.971 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.509 -5.717 -3.594 1.00 0.00 H new ATOM 145 N ASP A 9 -6.639 -4.337 -7.044 1.00 0.00 N ATOM 146 CA ASP A 9 -7.818 -4.557 -7.878 1.00 0.00 C ATOM 147 C ASP A 9 -8.595 -5.793 -7.424 1.00 0.00 C ATOM 148 O ASP A 9 -9.797 -5.903 -7.665 1.00 0.00 O ATOM 149 CB ASP A 9 -7.409 -4.693 -9.350 1.00 0.00 C ATOM 150 CG ASP A 9 -8.580 -5.028 -10.254 1.00 0.00 C ATOM 151 OD1 ASP A 9 -9.574 -4.271 -10.243 1.00 0.00 O ATOM 152 OD2 ASP A 9 -8.504 -6.046 -10.973 1.00 0.00 O ATOM 0 H ASP A 9 -5.770 -4.215 -7.565 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.473 -3.692 -7.772 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.953 -3.761 -9.684 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.650 -5.470 -9.442 1.00 0.00 H new ATOM 157 N GLU A 10 -7.904 -6.718 -6.760 1.00 0.00 N ATOM 158 CA GLU A 10 -8.538 -7.937 -6.269 1.00 0.00 C ATOM 159 C GLU A 10 -9.682 -7.603 -5.313 1.00 0.00 C ATOM 160 O GLU A 10 -10.162 -6.469 -5.281 1.00 0.00 O ATOM 161 CB GLU A 10 -7.507 -8.825 -5.566 1.00 0.00 C ATOM 162 CG GLU A 10 -7.675 -10.306 -5.862 1.00 0.00 C ATOM 163 CD GLU A 10 -7.151 -11.186 -4.744 1.00 0.00 C ATOM 164 OE1 GLU A 10 -6.077 -10.868 -4.192 1.00 0.00 O ATOM 165 OE2 GLU A 10 -7.813 -12.196 -4.423 1.00 0.00 O ATOM 0 H GLU A 10 -6.908 -6.646 -6.551 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.947 -8.478 -7.122 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.507 -8.514 -5.868 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.579 -8.668 -4.490 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.731 -10.523 -6.026 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.152 -10.550 -6.787 1.00 0.00 H new ATOM 217 N THR A 14 -5.745 -9.208 0.393 1.00 0.00 N ATOM 218 CA THR A 14 -4.754 -9.755 -0.523 1.00 0.00 C ATOM 219 C THR A 14 -4.222 -11.081 0.015 1.00 0.00 C ATOM 220 O THR A 14 -4.108 -11.262 1.228 1.00 0.00 O ATOM 221 CB THR A 14 -3.614 -8.757 -0.731 1.00 0.00 C ATOM 222 OG1 THR A 14 -3.003 -8.425 0.503 1.00 0.00 O ATOM 223 CG2 THR A 14 -4.066 -7.464 -1.377 1.00 0.00 C ATOM 0 HA THR A 14 -5.226 -9.937 -1.488 1.00 0.00 H new ATOM 0 HB THR A 14 -2.911 -9.257 -1.397 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.677 -8.435 1.215 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.211 -6.799 -1.497 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.500 -7.678 -2.354 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.813 -6.984 -0.746 1.00 0.00 H new ATOM 231 N SER A 15 -3.908 -12.010 -0.879 1.00 0.00 N ATOM 232 CA SER A 15 -3.401 -13.317 -0.470 1.00 0.00 C ATOM 233 C SER A 15 -2.007 -13.212 0.145 1.00 0.00 C ATOM 234 O SER A 15 -1.143 -12.500 -0.367 1.00 0.00 O ATOM 235 CB SER A 15 -3.371 -14.269 -1.669 1.00 0.00 C ATOM 236 OG SER A 15 -3.855 -15.553 -1.313 1.00 0.00 O ATOM 0 H SER A 15 -3.994 -11.885 -1.888 1.00 0.00 H new ATOM 0 HA SER A 15 -4.075 -13.711 0.291 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.977 -13.860 -2.477 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.352 -14.353 -2.046 1.00 0.00 H new ATOM 0 HG SER A 15 -3.827 -16.142 -2.096 1.00 0.00 H new ATOM 242 N SER A 16 -1.798 -13.942 1.245 1.00 0.00 N ATOM 243 CA SER A 16 -0.510 -13.964 1.948 1.00 0.00 C ATOM 244 C SER A 16 -0.358 -12.790 2.917 1.00 0.00 C ATOM 245 O SER A 16 0.501 -12.819 3.799 1.00 0.00 O ATOM 246 CB SER A 16 0.655 -13.969 0.953 1.00 0.00 C ATOM 247 OG SER A 16 0.302 -14.642 -0.243 1.00 0.00 O ATOM 0 H SER A 16 -2.512 -14.532 1.672 1.00 0.00 H new ATOM 0 HA SER A 16 -0.489 -14.884 2.532 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.946 -12.944 0.725 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.521 -14.453 1.405 1.00 0.00 H new ATOM 0 HG SER A 16 -0.017 -13.991 -0.903 1.00 0.00 H new ATOM 253 N LEU A 17 -1.184 -11.760 2.759 1.00 0.00 N ATOM 254 CA LEU A 17 -1.117 -10.592 3.631 1.00 0.00 C ATOM 255 C LEU A 17 -1.955 -10.806 4.889 1.00 0.00 C ATOM 256 O LEU A 17 -1.482 -10.595 6.005 1.00 0.00 O ATOM 257 CB LEU A 17 -1.604 -9.342 2.881 1.00 0.00 C ATOM 258 CG LEU A 17 -0.566 -8.225 2.632 1.00 0.00 C ATOM 259 CD1 LEU A 17 -0.944 -6.969 3.401 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.848 -8.660 3.000 1.00 0.00 C ATOM 0 H LEU A 17 -1.904 -11.710 2.039 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.079 -10.447 3.929 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.999 -9.659 1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.435 -8.913 3.441 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.574 -8.011 1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.203 -6.192 3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.924 -6.622 3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.977 -7.191 4.468 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.542 -7.842 2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.884 -8.925 4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.131 -9.524 2.399 1.00 0.00 H new ATOM 272 N SER A 18 -3.204 -11.225 4.699 1.00 0.00 N ATOM 273 CA SER A 18 -4.114 -11.465 5.816 1.00 0.00 C ATOM 274 C SER A 18 -3.440 -12.286 6.912 1.00 0.00 C ATOM 275 O SER A 18 -3.415 -11.886 8.076 1.00 0.00 O ATOM 276 CB SER A 18 -5.372 -12.187 5.326 1.00 0.00 C ATOM 277 OG SER A 18 -6.528 -11.707 5.991 1.00 0.00 O ATOM 0 H SER A 18 -3.609 -11.406 3.781 1.00 0.00 H new ATOM 0 HA SER A 18 -4.392 -10.498 6.236 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.482 -12.044 4.251 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.269 -13.259 5.496 1.00 0.00 H new ATOM 0 HG SER A 18 -7.318 -12.183 5.659 1.00 0.00 H new ATOM 283 N ALA A 19 -2.890 -13.434 6.530 1.00 0.00 N ATOM 284 CA ALA A 19 -2.211 -14.312 7.477 1.00 0.00 C ATOM 285 C ALA A 19 -1.078 -13.578 8.189 1.00 0.00 C ATOM 286 O ALA A 19 -0.863 -13.756 9.388 1.00 0.00 O ATOM 287 CB ALA A 19 -1.674 -15.540 6.758 1.00 0.00 C ATOM 0 H ALA A 19 -2.901 -13.779 5.570 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.934 -14.628 8.229 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.169 -16.189 7.474 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.500 -16.082 6.297 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.968 -15.231 5.988 1.00 0.00 H new ATOM 293 N ILE A 20 -0.356 -12.758 7.436 1.00 0.00 N ATOM 294 CA ILE A 20 0.761 -11.993 7.980 1.00 0.00 C ATOM 295 C ILE A 20 0.277 -10.930 8.960 1.00 0.00 C ATOM 296 O ILE A 20 0.512 -11.034 10.163 1.00 0.00 O ATOM 297 CB ILE A 20 1.572 -11.327 6.850 1.00 0.00 C ATOM 298 CG1 ILE A 20 2.311 -12.388 6.039 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.552 -10.305 7.409 1.00 0.00 C ATOM 300 CD1 ILE A 20 2.981 -11.838 4.801 1.00 0.00 C ATOM 0 H ILE A 20 -0.524 -12.605 6.442 1.00 0.00 H new ATOM 0 HA ILE A 20 1.405 -12.692 8.515 1.00 0.00 H new ATOM 0 HB ILE A 20 0.878 -10.802 6.194 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.063 -12.859 6.671 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.607 -13.167 5.746 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.111 -9.851 6.590 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.004 -9.532 7.947 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.244 -10.800 8.090 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.487 -12.645 4.272 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.230 -11.392 4.149 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.709 -11.080 5.088 1.00 0.00 H new ATOM 312 N LEU A 21 -0.394 -9.907 8.441 1.00 0.00 N ATOM 313 CA LEU A 21 -0.911 -8.827 9.276 1.00 0.00 C ATOM 314 C LEU A 21 -1.611 -9.381 10.515 1.00 0.00 C ATOM 315 O LEU A 21 -1.619 -8.751 11.571 1.00 0.00 O ATOM 316 CB LEU A 21 -1.875 -7.969 8.468 1.00 0.00 C ATOM 317 CG LEU A 21 -1.291 -7.430 7.164 1.00 0.00 C ATOM 318 CD1 LEU A 21 -2.232 -7.694 6.000 1.00 0.00 C ATOM 319 CD2 LEU A 21 -0.986 -5.946 7.297 1.00 0.00 C ATOM 0 H LEU A 21 -0.593 -9.802 7.446 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.073 -8.214 9.607 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.763 -8.558 8.239 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.199 -7.129 9.083 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.357 -7.954 6.959 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.795 -7.301 5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.390 -8.767 5.896 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.187 -7.203 6.186 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.570 -5.575 6.360 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.904 -5.405 7.526 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.265 -5.793 8.100 1.00 0.00 H new ATOM 331 N GLU A 22 -2.188 -10.571 10.373 1.00 0.00 N ATOM 332 CA GLU A 22 -2.883 -11.221 11.477 1.00 0.00 C ATOM 333 C GLU A 22 -1.896 -11.656 12.555 1.00 0.00 C ATOM 334 O GLU A 22 -2.230 -11.687 13.740 1.00 0.00 O ATOM 335 CB GLU A 22 -3.672 -12.426 10.975 1.00 0.00 C ATOM 336 CG GLU A 22 -5.097 -12.092 10.561 1.00 0.00 C ATOM 337 CD GLU A 22 -6.102 -13.113 11.055 1.00 0.00 C ATOM 338 OE1 GLU A 22 -5.856 -13.724 12.116 1.00 0.00 O ATOM 339 OE2 GLU A 22 -7.137 -13.301 10.382 1.00 0.00 O ATOM 0 H GLU A 22 -2.187 -11.104 9.503 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.577 -10.501 11.911 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.149 -12.864 10.125 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.698 -13.184 11.758 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.363 -11.109 10.949 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.151 -12.031 9.474 1.00 0.00 H new ATOM 346 N GLU A 23 -0.676 -11.982 12.138 1.00 0.00 N ATOM 347 CA GLU A 23 0.362 -12.403 13.067 1.00 0.00 C ATOM 348 C GLU A 23 0.993 -11.185 13.731 1.00 0.00 C ATOM 349 O GLU A 23 1.360 -11.223 14.906 1.00 0.00 O ATOM 350 CB GLU A 23 1.424 -13.223 12.327 1.00 0.00 C ATOM 351 CG GLU A 23 2.722 -13.389 13.098 1.00 0.00 C ATOM 352 CD GLU A 23 3.239 -14.814 13.077 1.00 0.00 C ATOM 353 OE1 GLU A 23 2.567 -15.700 13.646 1.00 0.00 O ATOM 354 OE2 GLU A 23 4.317 -15.045 12.489 1.00 0.00 O ATOM 0 H GLU A 23 -0.384 -11.962 11.161 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.083 -13.028 13.841 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.017 -14.209 12.104 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.639 -12.743 11.372 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.478 -12.727 12.675 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.568 -13.078 14.131 1.00 0.00 H new ATOM 361 N GLU A 24 1.108 -10.102 12.970 1.00 0.00 N ATOM 362 CA GLU A 24 1.687 -8.868 13.481 1.00 0.00 C ATOM 363 C GLU A 24 0.630 -8.034 14.198 1.00 0.00 C ATOM 364 O GLU A 24 -0.538 -8.417 14.259 1.00 0.00 O ATOM 365 CB GLU A 24 2.309 -8.057 12.343 1.00 0.00 C ATOM 366 CG GLU A 24 3.550 -8.700 11.748 1.00 0.00 C ATOM 367 CD GLU A 24 4.772 -8.533 12.631 1.00 0.00 C ATOM 368 OE1 GLU A 24 5.337 -7.420 12.658 1.00 0.00 O ATOM 369 OE2 GLU A 24 5.162 -9.515 13.297 1.00 0.00 O ATOM 0 H GLU A 24 0.807 -10.055 11.996 1.00 0.00 H new ATOM 0 HA GLU A 24 2.468 -9.130 14.195 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.567 -7.922 11.556 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.566 -7.064 12.713 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.364 -9.762 11.588 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.749 -8.261 10.771 1.00 0.00 H new ATOM 376 N GLY A 25 1.046 -6.893 14.736 1.00 0.00 N ATOM 377 CA GLY A 25 0.119 -6.024 15.435 1.00 0.00 C ATOM 378 C GLY A 25 -0.430 -4.933 14.539 1.00 0.00 C ATOM 379 O GLY A 25 -0.722 -3.828 14.999 1.00 0.00 O ATOM 0 H GLY A 25 2.008 -6.555 14.700 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.706 -6.618 15.829 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.622 -5.571 16.289 1.00 0.00 H new ATOM 383 N TYR A 26 -0.565 -5.242 13.253 1.00 0.00 N ATOM 384 CA TYR A 26 -1.076 -4.281 12.284 1.00 0.00 C ATOM 385 C TYR A 26 -2.581 -4.425 12.103 1.00 0.00 C ATOM 386 O TYR A 26 -3.232 -5.218 12.783 1.00 0.00 O ATOM 387 CB TYR A 26 -0.381 -4.466 10.934 1.00 0.00 C ATOM 388 CG TYR A 26 1.110 -4.241 10.987 1.00 0.00 C ATOM 389 CD1 TYR A 26 1.630 -2.983 11.253 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.997 -5.286 10.771 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.993 -2.771 11.303 1.00 0.00 C ATOM 392 CE2 TYR A 26 3.361 -5.085 10.821 1.00 0.00 C ATOM 393 CZ TYR A 26 3.856 -3.825 11.087 1.00 0.00 C ATOM 394 OH TYR A 26 5.215 -3.621 11.140 1.00 0.00 O ATOM 0 H TYR A 26 -0.327 -6.152 12.858 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.867 -3.283 12.668 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.575 -5.475 10.570 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.819 -3.777 10.212 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.957 -2.156 11.424 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.613 -6.273 10.560 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.382 -1.785 11.510 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.038 -5.910 10.653 1.00 0.00 H new ATOM 0 HH TYR A 26 5.680 -4.466 10.966 1.00 0.00 H new ATOM 404 N HIS A 27 -3.119 -3.651 11.170 1.00 0.00 N ATOM 405 CA HIS A 27 -4.540 -3.674 10.868 1.00 0.00 C ATOM 406 C HIS A 27 -4.764 -3.299 9.407 1.00 0.00 C ATOM 407 O HIS A 27 -4.812 -2.118 9.062 1.00 0.00 O ATOM 408 CB HIS A 27 -5.293 -2.706 11.781 1.00 0.00 C ATOM 409 CG HIS A 27 -6.525 -3.294 12.393 1.00 0.00 C ATOM 410 ND1 HIS A 27 -6.528 -3.927 13.618 1.00 0.00 N ATOM 411 CD2 HIS A 27 -7.803 -3.341 11.945 1.00 0.00 C ATOM 412 CE1 HIS A 27 -7.751 -4.341 13.896 1.00 0.00 C ATOM 413 NE2 HIS A 27 -8.544 -3.997 12.898 1.00 0.00 N ATOM 0 H HIS A 27 -2.583 -2.993 10.604 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.921 -4.681 11.040 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.625 -2.376 12.576 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.569 -1.820 11.209 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.170 -2.938 11.013 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.051 -4.871 14.788 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.545 -4.187 12.843 1.00 0.00 H new ATOM 422 N PRO A 28 -4.890 -4.301 8.523 1.00 0.00 N ATOM 423 CA PRO A 28 -5.092 -4.061 7.096 1.00 0.00 C ATOM 424 C PRO A 28 -6.495 -3.557 6.783 1.00 0.00 C ATOM 425 O PRO A 28 -7.475 -4.007 7.376 1.00 0.00 O ATOM 426 CB PRO A 28 -4.848 -5.429 6.468 1.00 0.00 C ATOM 427 CG PRO A 28 -5.173 -6.411 7.541 1.00 0.00 C ATOM 428 CD PRO A 28 -4.835 -5.739 8.846 1.00 0.00 C ATOM 0 HA PRO A 28 -4.430 -3.284 6.714 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.479 -5.579 5.592 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.814 -5.533 6.138 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.227 -6.688 7.508 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.598 -7.328 7.416 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.548 -6.001 9.628 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.848 -6.032 9.203 1.00 0.00 H new ATOM 436 N ASP A 29 -6.582 -2.609 5.853 1.00 0.00 N ATOM 437 CA ASP A 29 -7.871 -2.040 5.477 1.00 0.00 C ATOM 438 C ASP A 29 -8.247 -2.339 4.038 1.00 0.00 C ATOM 439 O ASP A 29 -9.315 -1.943 3.578 1.00 0.00 O ATOM 440 CB ASP A 29 -7.890 -0.536 5.732 1.00 0.00 C ATOM 441 CG ASP A 29 -8.942 -0.131 6.746 1.00 0.00 C ATOM 442 OD1 ASP A 29 -9.051 -0.809 7.790 1.00 0.00 O ATOM 443 OD2 ASP A 29 -9.656 0.862 6.496 1.00 0.00 O ATOM 0 H ASP A 29 -5.783 -2.222 5.351 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.621 -2.519 6.106 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.909 -0.218 6.085 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.075 -0.014 4.793 1.00 0.00 H new ATOM 448 N THR A 30 -7.358 -3.031 3.348 1.00 0.00 N ATOM 449 CA THR A 30 -7.525 -3.424 1.937 1.00 0.00 C ATOM 450 C THR A 30 -8.674 -2.719 1.215 1.00 0.00 C ATOM 451 O THR A 30 -9.835 -2.812 1.611 1.00 0.00 O ATOM 452 CB THR A 30 -7.714 -4.934 1.825 1.00 0.00 C ATOM 453 OG1 THR A 30 -8.933 -5.333 2.425 1.00 0.00 O ATOM 454 CG2 THR A 30 -6.597 -5.729 2.469 1.00 0.00 C ATOM 0 H THR A 30 -6.476 -3.348 3.751 1.00 0.00 H new ATOM 0 HA THR A 30 -6.607 -3.108 1.441 1.00 0.00 H new ATOM 0 HB THR A 30 -7.714 -5.146 0.756 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.611 -4.641 2.279 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.795 -6.795 2.353 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.650 -5.481 1.989 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.541 -5.484 3.530 1.00 0.00 H new ATOM 462 N ALA A 31 -8.329 -2.044 0.126 1.00 0.00 N ATOM 463 CA ALA A 31 -9.308 -1.338 -0.691 1.00 0.00 C ATOM 464 C ALA A 31 -9.104 -1.663 -2.166 1.00 0.00 C ATOM 465 O ALA A 31 -8.027 -2.099 -2.568 1.00 0.00 O ATOM 466 CB ALA A 31 -9.198 0.161 -0.462 1.00 0.00 C ATOM 0 H ALA A 31 -7.370 -1.970 -0.214 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.306 -1.666 -0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.934 0.678 -1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.383 0.383 0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.197 0.498 -0.733 1.00 0.00 H new ATOM 472 N LYS A 32 -10.132 -1.441 -2.976 1.00 0.00 N ATOM 473 CA LYS A 32 -10.030 -1.705 -4.407 1.00 0.00 C ATOM 474 C LYS A 32 -9.169 -0.636 -5.067 1.00 0.00 C ATOM 475 O LYS A 32 -8.481 0.120 -4.385 1.00 0.00 O ATOM 476 CB LYS A 32 -11.416 -1.744 -5.053 1.00 0.00 C ATOM 477 CG LYS A 32 -12.438 -2.538 -4.257 1.00 0.00 C ATOM 478 CD LYS A 32 -13.820 -2.457 -4.886 1.00 0.00 C ATOM 479 CE LYS A 32 -14.885 -3.034 -3.968 1.00 0.00 C ATOM 480 NZ LYS A 32 -15.959 -3.728 -4.730 1.00 0.00 N ATOM 0 H LYS A 32 -11.037 -1.083 -2.671 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.563 -2.680 -4.549 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.778 -0.723 -5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.330 -2.175 -6.050 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.125 -3.580 -4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.479 -2.159 -3.236 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.058 -1.418 -5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.822 -2.998 -5.832 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.423 -3.734 -3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -15.323 -2.233 -3.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.665 -4.107 -4.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.417 -3.054 -5.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.546 -4.508 -5.280 1.00 0.00 H new ATOM 494 N THR A 33 -9.180 -0.595 -6.394 1.00 0.00 N ATOM 495 CA THR A 33 -8.363 0.363 -7.134 1.00 0.00 C ATOM 496 C THR A 33 -8.501 1.777 -6.579 1.00 0.00 C ATOM 497 O THR A 33 -9.445 2.087 -5.853 1.00 0.00 O ATOM 498 CB THR A 33 -8.750 0.352 -8.614 1.00 0.00 C ATOM 499 OG1 THR A 33 -9.983 1.019 -8.815 1.00 0.00 O ATOM 500 CG2 THR A 33 -8.883 -1.041 -9.191 1.00 0.00 C ATOM 0 H THR A 33 -9.743 -1.211 -6.980 1.00 0.00 H new ATOM 0 HA THR A 33 -7.322 0.059 -7.022 1.00 0.00 H new ATOM 0 HB THR A 33 -7.935 0.863 -9.127 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.212 1.003 -9.768 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.159 -0.974 -10.243 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.932 -1.566 -9.098 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.654 -1.588 -8.648 1.00 0.00 H new ATOM 508 N LEU A 34 -7.523 2.613 -6.927 1.00 0.00 N ATOM 509 CA LEU A 34 -7.457 4.011 -6.484 1.00 0.00 C ATOM 510 C LEU A 34 -8.834 4.598 -6.183 1.00 0.00 C ATOM 511 O LEU A 34 -9.019 5.265 -5.166 1.00 0.00 O ATOM 512 CB LEU A 34 -6.744 4.863 -7.538 1.00 0.00 C ATOM 513 CG LEU A 34 -5.534 4.195 -8.200 1.00 0.00 C ATOM 514 CD1 LEU A 34 -4.900 5.120 -9.227 1.00 0.00 C ATOM 515 CD2 LEU A 34 -4.515 3.780 -7.149 1.00 0.00 C ATOM 0 H LEU A 34 -6.746 2.340 -7.529 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.892 4.025 -5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.462 5.131 -8.313 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.417 5.792 -7.072 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.879 3.300 -8.719 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.043 4.624 -9.683 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.631 5.364 -9.998 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.570 6.036 -8.737 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.662 3.307 -7.636 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.178 4.660 -6.601 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.974 3.075 -6.456 1.00 0.00 H new ATOM 527 N ARG A 35 -9.799 4.345 -7.060 1.00 0.00 N ATOM 528 CA ARG A 35 -11.151 4.853 -6.858 1.00 0.00 C ATOM 529 C ARG A 35 -11.638 4.519 -5.450 1.00 0.00 C ATOM 530 O ARG A 35 -11.902 5.411 -4.639 1.00 0.00 O ATOM 531 CB ARG A 35 -12.104 4.261 -7.901 1.00 0.00 C ATOM 532 CG ARG A 35 -12.955 5.303 -8.609 1.00 0.00 C ATOM 533 CD ARG A 35 -12.106 6.232 -9.461 1.00 0.00 C ATOM 534 NE ARG A 35 -12.712 6.485 -10.767 1.00 0.00 N ATOM 535 CZ ARG A 35 -12.720 5.604 -11.764 1.00 0.00 C ATOM 536 NH1 ARG A 35 -12.159 4.411 -11.609 1.00 0.00 N ATOM 537 NH2 ARG A 35 -13.292 5.916 -12.919 1.00 0.00 N ATOM 0 H ARG A 35 -9.673 3.796 -7.910 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.135 5.937 -6.975 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.523 3.714 -8.643 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.759 3.539 -7.414 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -13.693 4.805 -9.237 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -13.506 5.886 -7.871 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.966 7.178 -8.937 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.117 5.795 -9.599 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.155 7.390 -10.923 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.719 4.166 -10.722 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.168 3.740 -12.377 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -13.725 6.831 -13.043 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -13.298 5.241 -13.684 1.00 0.00 H new ATOM 551 N GLU A 36 -11.737 3.226 -5.163 1.00 0.00 N ATOM 552 CA GLU A 36 -12.177 2.769 -3.853 1.00 0.00 C ATOM 553 C GLU A 36 -11.169 3.161 -2.778 1.00 0.00 C ATOM 554 O GLU A 36 -11.546 3.473 -1.649 1.00 0.00 O ATOM 555 CB GLU A 36 -12.377 1.253 -3.856 1.00 0.00 C ATOM 556 CG GLU A 36 -13.364 0.768 -2.808 1.00 0.00 C ATOM 557 CD GLU A 36 -14.778 0.664 -3.343 1.00 0.00 C ATOM 558 OE1 GLU A 36 -15.081 1.331 -4.354 1.00 0.00 O ATOM 559 OE2 GLU A 36 -15.584 -0.085 -2.751 1.00 0.00 O ATOM 0 H GLU A 36 -11.518 2.477 -5.820 1.00 0.00 H new ATOM 0 HA GLU A 36 -13.129 3.250 -3.628 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.724 0.943 -4.841 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.415 0.768 -3.690 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.046 -0.207 -2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.350 1.450 -1.958 1.00 0.00 H new ATOM 566 N ALA A 37 -9.883 3.152 -3.133 1.00 0.00 N ATOM 567 CA ALA A 37 -8.839 3.520 -2.185 1.00 0.00 C ATOM 568 C ALA A 37 -9.026 4.955 -1.720 1.00 0.00 C ATOM 569 O ALA A 37 -9.264 5.207 -0.538 1.00 0.00 O ATOM 570 CB ALA A 37 -7.461 3.334 -2.805 1.00 0.00 C ATOM 0 H ALA A 37 -9.545 2.896 -4.061 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.915 2.863 -1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.696 3.614 -2.081 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.328 2.290 -3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.372 3.965 -3.690 1.00 0.00 H new ATOM 576 N GLU A 38 -8.925 5.894 -2.658 1.00 0.00 N ATOM 577 CA GLU A 38 -9.092 7.309 -2.342 1.00 0.00 C ATOM 578 C GLU A 38 -10.298 7.511 -1.435 1.00 0.00 C ATOM 579 O GLU A 38 -10.248 8.288 -0.482 1.00 0.00 O ATOM 580 CB GLU A 38 -9.248 8.129 -3.619 1.00 0.00 C ATOM 581 CG GLU A 38 -7.945 8.318 -4.381 1.00 0.00 C ATOM 582 CD GLU A 38 -8.125 9.120 -5.655 1.00 0.00 C ATOM 583 OE1 GLU A 38 -8.569 10.284 -5.565 1.00 0.00 O ATOM 584 OE2 GLU A 38 -7.822 8.584 -6.741 1.00 0.00 O ATOM 0 H GLU A 38 -8.729 5.701 -3.640 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.200 7.652 -1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.973 7.639 -4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.657 9.107 -3.366 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.222 8.821 -3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.527 7.342 -4.627 1.00 0.00 H new ATOM 591 N LYS A 39 -11.374 6.783 -1.720 1.00 0.00 N ATOM 592 CA LYS A 39 -12.575 6.868 -0.904 1.00 0.00 C ATOM 593 C LYS A 39 -12.254 6.437 0.523 1.00 0.00 C ATOM 594 O LYS A 39 -12.536 7.157 1.481 1.00 0.00 O ATOM 595 CB LYS A 39 -13.685 5.989 -1.483 1.00 0.00 C ATOM 596 CG LYS A 39 -14.988 6.063 -0.705 1.00 0.00 C ATOM 597 CD LYS A 39 -14.969 5.142 0.505 1.00 0.00 C ATOM 598 CE LYS A 39 -16.346 4.564 0.787 1.00 0.00 C ATOM 599 NZ LYS A 39 -16.697 3.474 -0.163 1.00 0.00 N ATOM 0 H LYS A 39 -11.437 6.133 -2.504 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.925 7.900 -0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.871 6.286 -2.515 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.343 4.954 -1.505 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.161 7.089 -0.380 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.818 5.791 -1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.261 4.331 0.335 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.619 5.693 1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.376 4.180 1.807 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.092 5.356 0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.731 3.373 -0.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.329 3.705 -1.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.276 2.581 0.163 1.00 0.00 H new ATOM 613 N LYS A 40 -11.655 5.254 0.654 1.00 0.00 N ATOM 614 CA LYS A 40 -11.287 4.727 1.960 1.00 0.00 C ATOM 615 C LYS A 40 -10.267 5.633 2.643 1.00 0.00 C ATOM 616 O LYS A 40 -10.272 5.779 3.866 1.00 0.00 O ATOM 617 CB LYS A 40 -10.720 3.315 1.823 1.00 0.00 C ATOM 618 CG LYS A 40 -11.786 2.247 1.638 1.00 0.00 C ATOM 619 CD LYS A 40 -12.719 2.175 2.838 1.00 0.00 C ATOM 620 CE LYS A 40 -12.962 0.738 3.270 1.00 0.00 C ATOM 621 NZ LYS A 40 -11.787 0.165 3.982 1.00 0.00 N ATOM 0 H LYS A 40 -11.416 4.646 -0.129 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.186 4.691 2.576 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.038 3.287 0.973 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.133 3.080 2.711 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.364 2.461 0.739 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.309 1.278 1.488 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.291 2.738 3.667 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -13.670 2.647 2.590 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.836 0.698 3.921 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.188 0.129 2.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.994 -0.816 4.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.959 0.180 3.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.586 0.730 4.832 1.00 0.00 H new ATOM 635 N ILE A 41 -9.389 6.238 1.847 1.00 0.00 N ATOM 636 CA ILE A 41 -8.364 7.128 2.379 1.00 0.00 C ATOM 637 C ILE A 41 -8.889 8.551 2.555 1.00 0.00 C ATOM 638 O ILE A 41 -8.194 9.413 3.093 1.00 0.00 O ATOM 639 CB ILE A 41 -7.123 7.162 1.469 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.660 5.740 1.146 1.00 0.00 C ATOM 641 CG2 ILE A 41 -6.003 7.953 2.128 1.00 0.00 C ATOM 642 CD1 ILE A 41 -6.239 5.554 -0.294 1.00 0.00 C ATOM 0 H ILE A 41 -9.368 6.128 0.833 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.085 6.729 3.354 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.390 7.657 0.536 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.824 5.482 1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.467 5.043 1.373 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.133 7.967 1.472 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.337 8.974 2.310 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.735 7.485 3.075 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.923 4.523 -0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -7.079 5.780 -0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.411 6.225 -0.521 1.00 0.00 H new ATOM 654 N LYS A 42 -10.117 8.795 2.104 1.00 0.00 N ATOM 655 CA LYS A 42 -10.723 10.115 2.222 1.00 0.00 C ATOM 656 C LYS A 42 -11.549 10.224 3.500 1.00 0.00 C ATOM 657 O LYS A 42 -12.526 10.970 3.558 1.00 0.00 O ATOM 658 CB LYS A 42 -11.598 10.407 1.006 1.00 0.00 C ATOM 659 CG LYS A 42 -10.916 11.274 -0.040 1.00 0.00 C ATOM 660 CD LYS A 42 -10.749 12.704 0.448 1.00 0.00 C ATOM 661 CE LYS A 42 -10.742 13.689 -0.710 1.00 0.00 C ATOM 662 NZ LYS A 42 -12.112 13.933 -1.240 1.00 0.00 N ATOM 0 H LYS A 42 -10.709 8.097 1.655 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.922 10.852 2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.894 9.464 0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.511 10.902 1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.940 10.854 -0.282 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.503 11.268 -0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.559 12.953 1.134 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.818 12.792 1.008 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.307 14.633 -0.381 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.107 13.306 -1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.053 14.205 -2.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.679 13.066 -1.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.562 14.699 -0.699 1.00 0.00 H new ATOM 676 N GLU A 43 -11.151 9.474 4.524 1.00 0.00 N ATOM 677 CA GLU A 43 -11.857 9.487 5.799 1.00 0.00 C ATOM 678 C GLU A 43 -10.896 9.256 6.961 1.00 0.00 C ATOM 679 O GLU A 43 -10.853 10.041 7.909 1.00 0.00 O ATOM 680 CB GLU A 43 -12.953 8.422 5.809 1.00 0.00 C ATOM 681 CG GLU A 43 -13.871 8.481 4.598 1.00 0.00 C ATOM 682 CD GLU A 43 -14.903 7.372 4.595 1.00 0.00 C ATOM 683 OE1 GLU A 43 -14.507 6.191 4.686 1.00 0.00 O ATOM 684 OE2 GLU A 43 -16.109 7.683 4.502 1.00 0.00 O ATOM 0 H GLU A 43 -10.344 8.851 4.495 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.312 10.470 5.921 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.490 7.436 5.855 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.551 8.536 6.713 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.379 9.445 4.578 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.272 8.418 3.689 1.00 0.00 H new ATOM 691 N LEU A 44 -10.130 8.172 6.886 1.00 0.00 N ATOM 692 CA LEU A 44 -9.174 7.840 7.936 1.00 0.00 C ATOM 693 C LEU A 44 -7.761 8.271 7.551 1.00 0.00 C ATOM 694 O LEU A 44 -7.556 8.914 6.521 1.00 0.00 O ATOM 695 CB LEU A 44 -9.208 6.336 8.229 1.00 0.00 C ATOM 696 CG LEU A 44 -8.539 5.452 7.178 1.00 0.00 C ATOM 697 CD1 LEU A 44 -7.335 4.736 7.777 1.00 0.00 C ATOM 698 CD2 LEU A 44 -9.537 4.451 6.614 1.00 0.00 C ATOM 0 H LEU A 44 -10.153 7.510 6.110 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.460 8.383 8.837 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.725 6.159 9.190 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.248 6.026 8.333 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.190 6.083 6.361 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.869 4.110 7.016 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.614 5.472 8.133 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.660 4.113 8.611 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.045 3.829 5.867 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.915 3.821 7.419 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.367 4.986 6.152 1.00 0.00 H new ATOM 710 N PHE A 45 -6.791 7.917 8.389 1.00 0.00 N ATOM 711 CA PHE A 45 -5.397 8.269 8.144 1.00 0.00 C ATOM 712 C PHE A 45 -4.517 7.023 8.090 1.00 0.00 C ATOM 713 O PHE A 45 -4.306 6.357 9.103 1.00 0.00 O ATOM 714 CB PHE A 45 -4.896 9.208 9.241 1.00 0.00 C ATOM 715 CG PHE A 45 -3.588 9.873 8.915 1.00 0.00 C ATOM 716 CD1 PHE A 45 -3.521 10.865 7.950 1.00 0.00 C ATOM 717 CD2 PHE A 45 -2.427 9.504 9.575 1.00 0.00 C ATOM 718 CE1 PHE A 45 -2.318 11.477 7.650 1.00 0.00 C ATOM 719 CE2 PHE A 45 -1.222 10.111 9.279 1.00 0.00 C ATOM 720 CZ PHE A 45 -1.166 11.100 8.315 1.00 0.00 C ATOM 0 H PHE A 45 -6.946 7.385 9.246 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.339 8.772 7.179 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.649 9.975 9.422 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.786 8.644 10.167 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.418 11.163 7.427 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.465 8.733 10.330 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.278 12.249 6.896 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.324 9.813 9.800 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.225 11.577 8.082 1.00 0.00 H new ATOM 730 N PHE A 46 -4.006 6.714 6.902 1.00 0.00 N ATOM 731 CA PHE A 46 -3.153 5.548 6.719 1.00 0.00 C ATOM 732 C PHE A 46 -1.671 5.933 6.726 1.00 0.00 C ATOM 733 O PHE A 46 -1.243 6.784 5.947 1.00 0.00 O ATOM 734 CB PHE A 46 -3.494 4.850 5.404 1.00 0.00 C ATOM 735 CG PHE A 46 -4.835 4.178 5.420 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.041 3.041 6.183 1.00 0.00 C ATOM 737 CD2 PHE A 46 -5.889 4.686 4.679 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.275 2.421 6.207 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.125 4.070 4.699 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.318 2.936 5.463 1.00 0.00 C ATOM 0 H PHE A 46 -4.169 7.255 6.053 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.334 4.869 7.552 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.471 5.581 4.596 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.726 4.108 5.184 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.228 2.634 6.766 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.743 5.572 4.080 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.424 1.535 6.807 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.940 4.475 4.117 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.284 2.452 5.479 1.00 0.00 H new ATOM 750 N PRO A 47 -0.860 5.296 7.595 1.00 0.00 N ATOM 751 CA PRO A 47 0.571 5.563 7.678 1.00 0.00 C ATOM 752 C PRO A 47 1.343 4.811 6.599 1.00 0.00 C ATOM 753 O PRO A 47 2.444 5.202 6.214 1.00 0.00 O ATOM 754 CB PRO A 47 0.969 5.048 9.070 1.00 0.00 C ATOM 755 CG PRO A 47 -0.234 4.355 9.637 1.00 0.00 C ATOM 756 CD PRO A 47 -1.264 4.255 8.543 1.00 0.00 C ATOM 0 HA PRO A 47 0.797 6.619 7.530 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.813 4.362 9.001 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.279 5.872 9.713 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.033 3.363 10.002 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.631 4.911 10.486 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.263 3.268 8.080 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.271 4.427 8.923 1.00 0.00 H new ATOM 764 N VAL A 48 0.752 3.721 6.121 1.00 0.00 N ATOM 765 CA VAL A 48 1.367 2.901 5.093 1.00 0.00 C ATOM 766 C VAL A 48 0.338 2.389 4.096 1.00 0.00 C ATOM 767 O VAL A 48 -0.699 1.853 4.477 1.00 0.00 O ATOM 768 CB VAL A 48 2.083 1.702 5.719 1.00 0.00 C ATOM 769 CG1 VAL A 48 3.001 1.037 4.712 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.848 2.152 6.945 1.00 0.00 C ATOM 0 H VAL A 48 -0.159 3.386 6.434 1.00 0.00 H new ATOM 0 HA VAL A 48 2.085 3.531 4.568 1.00 0.00 H new ATOM 0 HB VAL A 48 1.342 0.962 6.022 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.499 0.188 5.179 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.416 0.691 3.860 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.748 1.754 4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.357 1.297 7.390 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.583 2.904 6.659 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.155 2.579 7.670 1.00 0.00 H new ATOM 780 N ILE A 49 0.642 2.555 2.818 1.00 0.00 N ATOM 781 CA ILE A 49 -0.240 2.109 1.751 1.00 0.00 C ATOM 782 C ILE A 49 0.454 1.058 0.895 1.00 0.00 C ATOM 783 O ILE A 49 1.680 1.049 0.779 1.00 0.00 O ATOM 784 CB ILE A 49 -0.681 3.279 0.848 1.00 0.00 C ATOM 785 CG1 ILE A 49 -0.969 4.527 1.683 1.00 0.00 C ATOM 786 CG2 ILE A 49 -1.906 2.885 0.035 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.013 4.309 2.756 1.00 0.00 C ATOM 0 H ILE A 49 1.501 2.999 2.493 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.125 1.682 2.223 1.00 0.00 H new ATOM 0 HB ILE A 49 0.133 3.510 0.161 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.044 4.863 2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.301 5.328 1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.207 3.720 -0.598 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.667 2.024 -0.589 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.723 2.628 0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.166 5.236 3.308 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.951 4.003 2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.675 3.531 3.440 1.00 0.00 H new ATOM 799 N VAL A 50 -0.333 0.178 0.294 1.00 0.00 N ATOM 800 CA VAL A 50 0.208 -0.873 -0.553 1.00 0.00 C ATOM 801 C VAL A 50 -0.659 -1.064 -1.786 1.00 0.00 C ATOM 802 O VAL A 50 -1.723 -1.677 -1.724 1.00 0.00 O ATOM 803 CB VAL A 50 0.327 -2.205 0.207 1.00 0.00 C ATOM 804 CG1 VAL A 50 0.913 -3.291 -0.685 1.00 0.00 C ATOM 805 CG2 VAL A 50 1.172 -2.015 1.456 1.00 0.00 C ATOM 0 H VAL A 50 -1.350 0.171 0.378 1.00 0.00 H new ATOM 0 HA VAL A 50 1.207 -0.562 -0.859 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.671 -2.526 0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.987 -4.222 -0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.267 -3.439 -1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.906 -2.990 -1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.252 -2.962 1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.168 -1.673 1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.704 -1.273 2.103 1.00 0.00 H new ATOM 815 N LEU A 51 -0.193 -0.531 -2.904 1.00 0.00 N ATOM 816 CA LEU A 51 -0.923 -0.636 -4.159 1.00 0.00 C ATOM 817 C LEU A 51 -0.442 -1.830 -4.974 1.00 0.00 C ATOM 818 O LEU A 51 0.755 -2.004 -5.196 1.00 0.00 O ATOM 819 CB LEU A 51 -0.772 0.649 -4.978 1.00 0.00 C ATOM 820 CG LEU A 51 -1.399 0.602 -6.374 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.875 0.965 -6.307 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.660 1.533 -7.323 1.00 0.00 C ATOM 0 H LEU A 51 0.688 -0.021 -2.969 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.976 -0.783 -3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.221 1.472 -4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.289 0.875 -5.080 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.313 -0.415 -6.757 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.305 0.927 -7.308 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.395 0.257 -5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.984 1.972 -5.904 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.120 1.486 -8.310 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.713 2.554 -6.946 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.384 1.227 -7.394 1.00 0.00 H new ATOM 834 N ASP A 52 -1.388 -2.646 -5.421 1.00 0.00 N ATOM 835 CA ASP A 52 -1.072 -3.821 -6.220 1.00 0.00 C ATOM 836 C ASP A 52 -1.608 -3.660 -7.637 1.00 0.00 C ATOM 837 O ASP A 52 -2.820 -3.621 -7.851 1.00 0.00 O ATOM 838 CB ASP A 52 -1.658 -5.079 -5.577 1.00 0.00 C ATOM 839 CG ASP A 52 -1.175 -6.350 -6.248 1.00 0.00 C ATOM 840 OD1 ASP A 52 -1.290 -6.448 -7.488 1.00 0.00 O ATOM 841 OD2 ASP A 52 -0.681 -7.247 -5.533 1.00 0.00 O ATOM 0 H ASP A 52 -2.384 -2.514 -5.242 1.00 0.00 H new ATOM 0 HA ASP A 52 0.012 -3.924 -6.265 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.388 -5.104 -4.521 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.746 -5.036 -5.627 1.00 0.00 H new ATOM 846 N VAL A 53 -0.702 -3.558 -8.601 1.00 0.00 N ATOM 847 CA VAL A 53 -1.085 -3.391 -9.998 1.00 0.00 C ATOM 848 C VAL A 53 -1.579 -4.707 -10.607 1.00 0.00 C ATOM 849 O VAL A 53 -1.057 -5.171 -11.620 1.00 0.00 O ATOM 850 CB VAL A 53 0.094 -2.829 -10.831 1.00 0.00 C ATOM 851 CG1 VAL A 53 0.698 -1.616 -10.141 1.00 0.00 C ATOM 852 CG2 VAL A 53 1.163 -3.889 -11.070 1.00 0.00 C ATOM 0 H VAL A 53 0.305 -3.588 -8.441 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.907 -2.675 -10.025 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.298 -2.526 -11.802 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.525 -1.232 -10.738 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.062 -0.842 -10.034 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.065 -1.903 -9.155 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.975 -3.461 -11.657 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.552 -4.236 -10.113 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.728 -4.729 -11.611 1.00 0.00 H new ATOM 862 N TRP A 54 -2.598 -5.302 -9.987 1.00 0.00 N ATOM 863 CA TRP A 54 -3.154 -6.558 -10.480 1.00 0.00 C ATOM 864 C TRP A 54 -3.787 -6.359 -11.855 1.00 0.00 C ATOM 865 O TRP A 54 -3.171 -6.654 -12.879 1.00 0.00 O ATOM 866 CB TRP A 54 -4.184 -7.108 -9.488 1.00 0.00 C ATOM 867 CG TRP A 54 -4.863 -8.357 -9.962 1.00 0.00 C ATOM 868 CD1 TRP A 54 -6.207 -8.586 -10.027 1.00 0.00 C ATOM 869 CD2 TRP A 54 -4.228 -9.551 -10.435 1.00 0.00 C ATOM 870 NE1 TRP A 54 -6.447 -9.849 -10.513 1.00 0.00 N ATOM 871 CE2 TRP A 54 -5.248 -10.461 -10.770 1.00 0.00 C ATOM 872 CE3 TRP A 54 -2.896 -9.936 -10.608 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -4.975 -11.732 -11.269 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -2.627 -11.198 -11.103 1.00 0.00 C ATOM 875 CH2 TRP A 54 -3.663 -12.084 -11.428 1.00 0.00 C ATOM 0 H TRP A 54 -3.051 -4.937 -9.149 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.345 -7.282 -10.577 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.689 -7.311 -8.538 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.938 -6.344 -9.298 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.970 -7.878 -9.739 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -7.368 -10.263 -10.659 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.091 -9.260 -10.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.772 -12.416 -11.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.601 -11.507 -11.242 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.421 -13.064 -11.812 1.00 0.00 H new ATOM 886 N MET A 55 -5.015 -5.849 -11.873 1.00 0.00 N ATOM 887 CA MET A 55 -5.719 -5.600 -13.124 1.00 0.00 C ATOM 888 C MET A 55 -6.664 -4.406 -12.991 1.00 0.00 C ATOM 889 O MET A 55 -7.849 -4.503 -13.315 1.00 0.00 O ATOM 890 CB MET A 55 -6.501 -6.846 -13.547 1.00 0.00 C ATOM 891 CG MET A 55 -5.699 -7.802 -14.416 1.00 0.00 C ATOM 892 SD MET A 55 -6.714 -9.109 -15.131 1.00 0.00 S ATOM 893 CE MET A 55 -6.825 -10.244 -13.752 1.00 0.00 C ATOM 0 H MET A 55 -5.542 -5.601 -11.036 1.00 0.00 H new ATOM 0 HA MET A 55 -4.980 -5.367 -13.890 1.00 0.00 H new ATOM 0 HB2 MET A 55 -6.837 -7.374 -12.655 1.00 0.00 H new ATOM 0 HB3 MET A 55 -7.394 -6.537 -14.090 1.00 0.00 H new ATOM 0 HG2 MET A 55 -5.218 -7.241 -15.218 1.00 0.00 H new ATOM 0 HG3 MET A 55 -4.905 -8.250 -13.819 1.00 0.00 H new ATOM 0 HE1 MET A 55 -7.482 -11.073 -14.015 1.00 0.00 H new ATOM 0 HE2 MET A 55 -5.833 -10.628 -13.516 1.00 0.00 H new ATOM 0 HE3 MET A 55 -7.228 -9.723 -12.883 1.00 0.00 H new ATOM 903 N PRO A 56 -6.157 -3.255 -12.506 1.00 0.00 N ATOM 904 CA PRO A 56 -6.956 -2.044 -12.328 1.00 0.00 C ATOM 905 C PRO A 56 -7.124 -1.266 -13.630 1.00 0.00 C ATOM 906 O PRO A 56 -7.071 -1.839 -14.719 1.00 0.00 O ATOM 907 CB PRO A 56 -6.145 -1.219 -11.308 1.00 0.00 C ATOM 908 CG PRO A 56 -4.951 -2.047 -10.961 1.00 0.00 C ATOM 909 CD PRO A 56 -4.773 -3.025 -12.085 1.00 0.00 C ATOM 0 HA PRO A 56 -7.969 -2.272 -11.998 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.845 -0.261 -11.732 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.740 -1.002 -10.421 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.065 -1.422 -10.846 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.100 -2.566 -10.014 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.164 -2.615 -12.891 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.288 -3.944 -11.754 1.00 0.00 H new ATOM 917 N ASP A 57 -7.323 0.042 -13.510 1.00 0.00 N ATOM 918 CA ASP A 57 -7.494 0.902 -14.676 1.00 0.00 C ATOM 919 C ASP A 57 -7.292 2.369 -14.305 1.00 0.00 C ATOM 920 O ASP A 57 -7.890 3.258 -14.909 1.00 0.00 O ATOM 921 CB ASP A 57 -8.885 0.703 -15.282 1.00 0.00 C ATOM 922 CG ASP A 57 -9.995 1.071 -14.319 1.00 0.00 C ATOM 923 OD1 ASP A 57 -9.902 0.691 -13.133 1.00 0.00 O ATOM 924 OD2 ASP A 57 -10.959 1.739 -14.750 1.00 0.00 O ATOM 0 H ASP A 57 -7.370 0.531 -12.616 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.741 0.626 -15.414 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.975 1.309 -16.184 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.001 -0.338 -15.584 1.00 0.00 H new ATOM 929 N GLY A 58 -6.443 2.613 -13.311 1.00 0.00 N ATOM 930 CA GLY A 58 -6.177 3.973 -12.881 1.00 0.00 C ATOM 931 C GLY A 58 -4.695 4.247 -12.715 1.00 0.00 C ATOM 932 O GLY A 58 -3.970 3.443 -12.130 1.00 0.00 O ATOM 0 H GLY A 58 -5.935 1.893 -12.796 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.593 4.669 -13.609 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.686 4.158 -11.935 1.00 0.00 H new ATOM 936 N ASP A 59 -4.245 5.386 -13.232 1.00 0.00 N ATOM 937 CA ASP A 59 -2.839 5.766 -13.139 1.00 0.00 C ATOM 938 C ASP A 59 -2.391 5.847 -11.682 1.00 0.00 C ATOM 939 O ASP A 59 -2.739 6.786 -10.968 1.00 0.00 O ATOM 940 CB ASP A 59 -2.605 7.108 -13.832 1.00 0.00 C ATOM 941 CG ASP A 59 -1.180 7.263 -14.327 1.00 0.00 C ATOM 942 OD1 ASP A 59 -0.251 7.169 -13.498 1.00 0.00 O ATOM 943 OD2 ASP A 59 -0.994 7.476 -15.543 1.00 0.00 O ATOM 0 H ASP A 59 -4.833 6.062 -13.720 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.248 4.999 -13.639 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.291 7.204 -14.673 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.836 7.917 -13.139 1.00 0.00 H new ATOM 948 N GLY A 60 -1.620 4.856 -11.250 1.00 0.00 N ATOM 949 CA GLY A 60 -1.138 4.834 -9.882 1.00 0.00 C ATOM 950 C GLY A 60 -0.106 5.911 -9.612 1.00 0.00 C ATOM 951 O GLY A 60 -0.045 6.457 -8.511 1.00 0.00 O ATOM 0 H GLY A 60 -1.320 4.067 -11.823 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.980 4.963 -9.202 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.703 3.857 -9.669 1.00 0.00 H new ATOM 955 N VAL A 61 0.705 6.223 -10.620 1.00 0.00 N ATOM 956 CA VAL A 61 1.730 7.244 -10.487 1.00 0.00 C ATOM 957 C VAL A 61 1.118 8.568 -10.035 1.00 0.00 C ATOM 958 O VAL A 61 1.690 9.283 -9.213 1.00 0.00 O ATOM 959 CB VAL A 61 2.473 7.449 -11.819 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.552 8.505 -11.678 1.00 0.00 C ATOM 961 CG2 VAL A 61 3.067 6.135 -12.307 1.00 0.00 C ATOM 0 H VAL A 61 0.669 5.780 -11.538 1.00 0.00 H new ATOM 0 HA VAL A 61 2.441 6.905 -9.733 1.00 0.00 H new ATOM 0 HB VAL A 61 1.754 7.797 -12.560 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.063 8.632 -12.632 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.099 9.451 -11.380 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.270 8.192 -10.920 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.588 6.299 -13.250 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.770 5.756 -11.565 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.269 5.408 -12.456 1.00 0.00 H new ATOM 971 N ASN A 62 -0.055 8.879 -10.569 1.00 0.00 N ATOM 972 CA ASN A 62 -0.755 10.104 -10.209 1.00 0.00 C ATOM 973 C ASN A 62 -1.363 9.973 -8.814 1.00 0.00 C ATOM 974 O ASN A 62 -1.609 10.970 -8.134 1.00 0.00 O ATOM 975 CB ASN A 62 -1.848 10.417 -11.234 1.00 0.00 C ATOM 976 CG ASN A 62 -1.554 11.677 -12.027 1.00 0.00 C ATOM 977 OD1 ASN A 62 -2.123 12.736 -11.764 1.00 0.00 O ATOM 978 ND2 ASN A 62 -0.660 11.567 -13.003 1.00 0.00 N ATOM 0 H ASN A 62 -0.542 8.300 -11.253 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.038 10.925 -10.205 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.951 9.576 -11.919 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.803 10.529 -10.720 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.421 12.381 -13.570 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.213 10.669 -13.186 1.00 0.00 H new ATOM 985 N PHE A 63 -1.597 8.732 -8.396 1.00 0.00 N ATOM 986 CA PHE A 63 -2.171 8.452 -7.085 1.00 0.00 C ATOM 987 C PHE A 63 -1.130 8.646 -5.987 1.00 0.00 C ATOM 988 O PHE A 63 -1.463 9.006 -4.857 1.00 0.00 O ATOM 989 CB PHE A 63 -2.710 7.021 -7.048 1.00 0.00 C ATOM 990 CG PHE A 63 -3.306 6.627 -5.727 1.00 0.00 C ATOM 991 CD1 PHE A 63 -4.342 7.360 -5.171 1.00 0.00 C ATOM 992 CD2 PHE A 63 -2.832 5.520 -5.041 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.894 6.998 -3.958 1.00 0.00 C ATOM 994 CE2 PHE A 63 -3.379 5.152 -3.828 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.411 5.891 -3.285 1.00 0.00 C ATOM 0 H PHE A 63 -1.396 7.900 -8.951 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.990 9.150 -6.910 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.467 6.908 -7.824 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.900 6.332 -7.290 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.723 8.226 -5.693 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.025 4.938 -5.461 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.701 7.578 -3.536 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.000 4.287 -3.304 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.840 5.605 -2.336 1.00 0.00 H new ATOM 1005 N ILE A 64 0.135 8.407 -6.327 1.00 0.00 N ATOM 1006 CA ILE A 64 1.228 8.556 -5.368 1.00 0.00 C ATOM 1007 C ILE A 64 1.162 9.912 -4.674 1.00 0.00 C ATOM 1008 O ILE A 64 1.513 10.039 -3.501 1.00 0.00 O ATOM 1009 CB ILE A 64 2.614 8.413 -6.039 1.00 0.00 C ATOM 1010 CG1 ILE A 64 2.614 7.287 -7.081 1.00 0.00 C ATOM 1011 CG2 ILE A 64 3.683 8.162 -4.989 1.00 0.00 C ATOM 1012 CD1 ILE A 64 1.999 5.995 -6.592 1.00 0.00 C ATOM 0 H ILE A 64 0.428 8.110 -7.258 1.00 0.00 H new ATOM 0 HA ILE A 64 1.107 7.756 -4.637 1.00 0.00 H new ATOM 0 HB ILE A 64 2.837 9.347 -6.555 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.072 7.624 -7.964 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.641 7.094 -7.392 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.654 8.063 -5.475 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.710 8.998 -4.290 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.453 7.244 -4.448 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.037 5.250 -7.387 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.554 5.632 -5.727 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.961 6.170 -6.309 1.00 0.00 H new ATOM 1024 N ASP A 65 0.707 10.921 -5.408 1.00 0.00 N ATOM 1025 CA ASP A 65 0.589 12.269 -4.867 1.00 0.00 C ATOM 1026 C ASP A 65 -0.556 12.350 -3.865 1.00 0.00 C ATOM 1027 O ASP A 65 -0.440 13.005 -2.831 1.00 0.00 O ATOM 1028 CB ASP A 65 0.371 13.280 -5.994 1.00 0.00 C ATOM 1029 CG ASP A 65 0.549 14.712 -5.528 1.00 0.00 C ATOM 1030 OD1 ASP A 65 1.569 14.998 -4.866 1.00 0.00 O ATOM 1031 OD2 ASP A 65 -0.330 15.547 -5.826 1.00 0.00 O ATOM 0 H ASP A 65 0.414 10.830 -6.381 1.00 0.00 H new ATOM 0 HA ASP A 65 1.519 12.510 -4.352 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.071 13.074 -6.803 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.632 13.155 -6.401 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.659 11.675 -4.173 1.00 0.00 N ATOM 1037 CA PHE A 66 -2.820 11.668 -3.292 1.00 0.00 C ATOM 1038 C PHE A 66 -2.423 11.204 -1.894 1.00 0.00 C ATOM 1039 O PHE A 66 -2.835 11.789 -0.893 1.00 0.00 O ATOM 1040 CB PHE A 66 -3.913 10.760 -3.863 1.00 0.00 C ATOM 1041 CG PHE A 66 -5.096 10.588 -2.952 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -5.029 9.736 -1.863 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -6.272 11.281 -3.186 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -6.114 9.575 -1.023 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -7.362 11.125 -2.350 1.00 0.00 C ATOM 1046 CZ PHE A 66 -7.282 10.271 -1.267 1.00 0.00 C ATOM 0 H PHE A 66 -1.773 11.126 -5.025 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.210 12.683 -3.223 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.255 11.171 -4.813 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.484 9.781 -4.075 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.118 9.191 -1.668 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.338 11.951 -4.031 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.049 8.906 -0.177 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.274 11.670 -2.543 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.132 10.148 -0.612 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.611 10.152 -1.835 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.149 9.618 -0.560 1.00 0.00 C ATOM 1058 C ILE A 67 -0.381 10.685 0.217 1.00 0.00 C ATOM 1059 O ILE A 67 -0.612 10.885 1.410 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.259 8.371 -0.763 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -1.096 7.206 -1.296 1.00 0.00 C ATOM 1062 CG2 ILE A 67 0.428 7.975 0.539 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.267 7.220 -2.799 1.00 0.00 C ATOM 0 H ILE A 67 -1.261 9.654 -2.654 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.027 9.320 0.013 1.00 0.00 H new ATOM 0 HB ILE A 67 0.512 8.617 -1.494 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.626 6.268 -1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.079 7.232 -0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.048 7.095 0.370 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.053 8.798 0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.325 7.748 1.294 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.871 6.365 -3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.765 8.142 -3.100 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.289 7.163 -3.277 1.00 0.00 H new ATOM 1075 N LYS A 68 0.524 11.377 -0.468 1.00 0.00 N ATOM 1076 CA LYS A 68 1.311 12.431 0.161 1.00 0.00 C ATOM 1077 C LYS A 68 0.497 13.718 0.277 1.00 0.00 C ATOM 1078 O LYS A 68 0.880 14.644 0.993 1.00 0.00 O ATOM 1079 CB LYS A 68 2.590 12.690 -0.638 1.00 0.00 C ATOM 1080 CG LYS A 68 3.534 11.500 -0.677 1.00 0.00 C ATOM 1081 CD LYS A 68 4.988 11.943 -0.729 1.00 0.00 C ATOM 1082 CE LYS A 68 5.377 12.409 -2.123 1.00 0.00 C ATOM 1083 NZ LYS A 68 5.135 13.866 -2.310 1.00 0.00 N ATOM 0 H LYS A 68 0.730 11.227 -1.456 1.00 0.00 H new ATOM 0 HA LYS A 68 1.582 12.101 1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.322 12.964 -1.658 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.112 13.543 -0.205 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.373 10.878 0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.309 10.884 -1.548 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.149 12.751 -0.015 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.632 11.117 -0.427 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.431 12.191 -2.298 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.808 11.849 -2.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.473 14.009 -3.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.728 14.265 -1.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.035 14.343 -2.522 1.00 0.00 H new ATOM 1097 N GLU A 69 -0.633 13.768 -0.427 1.00 0.00 N ATOM 1098 CA GLU A 69 -1.505 14.934 -0.401 1.00 0.00 C ATOM 1099 C GLU A 69 -2.270 14.999 0.915 1.00 0.00 C ATOM 1100 O GLU A 69 -2.409 16.063 1.518 1.00 0.00 O ATOM 1101 CB GLU A 69 -2.482 14.887 -1.575 1.00 0.00 C ATOM 1102 CG GLU A 69 -3.296 16.161 -1.744 1.00 0.00 C ATOM 1103 CD GLU A 69 -4.368 16.030 -2.808 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -4.060 15.510 -3.900 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -5.517 16.446 -2.547 1.00 0.00 O ATOM 0 H GLU A 69 -0.964 13.010 -1.024 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.889 15.829 -0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.925 14.698 -2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.163 14.047 -1.436 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.762 16.419 -0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.629 16.982 -2.005 1.00 0.00 H new ATOM 1112 N ASN A 70 -2.768 13.847 1.348 1.00 0.00 N ATOM 1113 CA ASN A 70 -3.528 13.752 2.589 1.00 0.00 C ATOM 1114 C ASN A 70 -2.834 12.826 3.588 1.00 0.00 C ATOM 1115 O ASN A 70 -3.428 12.421 4.587 1.00 0.00 O ATOM 1116 CB ASN A 70 -4.950 13.247 2.305 1.00 0.00 C ATOM 1117 CG ASN A 70 -5.056 12.506 0.982 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -4.840 13.224 -0.116 1.00 0.00 O flip ATOM 1119 ND2 ASN A 70 -5.330 11.307 0.950 1.00 0.00 N flip ATOM 0 H ASN A 70 -2.658 12.961 0.855 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.584 14.748 3.027 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.265 12.586 3.113 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.637 14.093 2.299 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.488 10.797 1.819 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.399 10.823 0.055 1.00 0.00 H new ATOM 1126 N SER A 71 -1.573 12.496 3.314 1.00 0.00 N ATOM 1127 CA SER A 71 -0.803 11.622 4.190 1.00 0.00 C ATOM 1128 C SER A 71 0.694 11.777 3.928 1.00 0.00 C ATOM 1129 O SER A 71 1.352 10.852 3.452 1.00 0.00 O ATOM 1130 CB SER A 71 -1.228 10.164 3.990 1.00 0.00 C ATOM 1131 OG SER A 71 -1.996 9.701 5.087 1.00 0.00 O ATOM 0 H SER A 71 -1.065 12.822 2.492 1.00 0.00 H new ATOM 0 HA SER A 71 -1.002 11.909 5.223 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.809 10.074 3.072 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.344 9.537 3.871 1.00 0.00 H new ATOM 0 HG SER A 71 -1.990 10.375 5.798 1.00 0.00 H new ATOM 1137 N PRO A 72 1.255 12.960 4.235 1.00 0.00 N ATOM 1138 CA PRO A 72 2.680 13.236 4.030 1.00 0.00 C ATOM 1139 C PRO A 72 3.563 12.443 4.982 1.00 0.00 C ATOM 1140 O PRO A 72 4.755 12.259 4.742 1.00 0.00 O ATOM 1141 CB PRO A 72 2.813 14.742 4.305 1.00 0.00 C ATOM 1142 CG PRO A 72 1.416 15.266 4.371 1.00 0.00 C ATOM 1143 CD PRO A 72 0.555 14.117 4.803 1.00 0.00 C ATOM 0 HA PRO A 72 3.003 12.949 3.029 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.344 14.924 5.239 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.379 15.236 3.515 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.344 16.093 5.078 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.098 15.647 3.401 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.480 14.052 5.889 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.461 14.205 4.418 1.00 0.00 H new ATOM 1151 N ASP A 73 2.960 11.977 6.062 1.00 0.00 N ATOM 1152 CA ASP A 73 3.672 11.197 7.067 1.00 0.00 C ATOM 1153 C ASP A 73 3.345 9.712 6.937 1.00 0.00 C ATOM 1154 O ASP A 73 3.404 8.965 7.914 1.00 0.00 O ATOM 1155 CB ASP A 73 3.316 11.689 8.466 1.00 0.00 C ATOM 1156 CG ASP A 73 4.526 11.765 9.378 1.00 0.00 C ATOM 1157 OD1 ASP A 73 4.879 10.731 9.983 1.00 0.00 O ATOM 1158 OD2 ASP A 73 5.119 12.858 9.486 1.00 0.00 O ATOM 0 H ASP A 73 1.972 12.125 6.269 1.00 0.00 H new ATOM 0 HA ASP A 73 4.742 11.329 6.904 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.855 12.674 8.395 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.575 11.021 8.905 1.00 0.00 H new ATOM 1163 N SER A 74 2.998 9.292 5.725 1.00 0.00 N ATOM 1164 CA SER A 74 2.658 7.900 5.464 1.00 0.00 C ATOM 1165 C SER A 74 3.744 7.224 4.625 1.00 0.00 C ATOM 1166 O SER A 74 4.885 7.686 4.589 1.00 0.00 O ATOM 1167 CB SER A 74 1.304 7.823 4.749 1.00 0.00 C ATOM 1168 OG SER A 74 0.930 6.481 4.496 1.00 0.00 O ATOM 0 H SER A 74 2.945 9.898 4.907 1.00 0.00 H new ATOM 0 HA SER A 74 2.590 7.372 6.415 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.541 8.306 5.359 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.356 8.372 3.809 1.00 0.00 H new ATOM 0 HG SER A 74 -0.011 6.352 4.739 1.00 0.00 H new ATOM 1174 N VAL A 75 3.384 6.142 3.941 1.00 0.00 N ATOM 1175 CA VAL A 75 4.334 5.431 3.097 1.00 0.00 C ATOM 1176 C VAL A 75 3.647 4.757 1.921 1.00 0.00 C ATOM 1177 O VAL A 75 2.581 4.171 2.063 1.00 0.00 O ATOM 1178 CB VAL A 75 5.130 4.372 3.879 1.00 0.00 C ATOM 1179 CG1 VAL A 75 6.131 3.694 2.951 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.834 5.006 5.070 1.00 0.00 C ATOM 0 H VAL A 75 2.446 5.741 3.955 1.00 0.00 H new ATOM 0 HA VAL A 75 5.025 6.189 2.727 1.00 0.00 H new ATOM 0 HB VAL A 75 4.442 3.618 4.261 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.693 2.944 3.508 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.599 3.213 2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.818 4.439 2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.392 4.242 5.612 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.520 5.777 4.719 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.094 5.454 5.734 1.00 0.00 H new ATOM 1190 N VAL A 76 4.265 4.858 0.757 1.00 0.00 N ATOM 1191 CA VAL A 76 3.711 4.263 -0.454 1.00 0.00 C ATOM 1192 C VAL A 76 4.628 3.175 -0.996 1.00 0.00 C ATOM 1193 O VAL A 76 5.534 3.447 -1.784 1.00 0.00 O ATOM 1194 CB VAL A 76 3.467 5.314 -1.558 1.00 0.00 C ATOM 1195 CG1 VAL A 76 2.348 4.862 -2.484 1.00 0.00 C ATOM 1196 CG2 VAL A 76 3.147 6.675 -0.954 1.00 0.00 C ATOM 0 H VAL A 76 5.151 5.346 0.621 1.00 0.00 H new ATOM 0 HA VAL A 76 2.752 3.827 -0.174 1.00 0.00 H new ATOM 0 HB VAL A 76 4.382 5.412 -2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.189 5.614 -3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.621 3.915 -2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.431 4.732 -1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.979 7.397 -1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.250 6.599 -0.340 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.983 7.005 -0.336 1.00 0.00 H new ATOM 1206 N ILE A 77 4.386 1.943 -0.565 1.00 0.00 N ATOM 1207 CA ILE A 77 5.188 0.809 -1.003 1.00 0.00 C ATOM 1208 C ILE A 77 4.882 0.447 -2.451 1.00 0.00 C ATOM 1209 O ILE A 77 5.768 0.466 -3.305 1.00 0.00 O ATOM 1210 CB ILE A 77 4.950 -0.425 -0.112 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.066 -0.047 1.367 1.00 0.00 C ATOM 1212 CG2 ILE A 77 5.936 -1.530 -0.461 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.445 0.434 1.763 1.00 0.00 C ATOM 0 H ILE A 77 3.640 1.704 0.088 1.00 0.00 H new ATOM 0 HA ILE A 77 6.233 1.109 -0.921 1.00 0.00 H new ATOM 0 HB ILE A 77 3.941 -0.795 -0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.340 0.734 1.592 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.803 -0.912 1.976 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.754 -2.395 0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.807 -1.816 -1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.954 -1.172 -0.306 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.452 0.684 2.824 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.174 -0.353 1.570 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.703 1.318 1.180 1.00 0.00 H new ATOM 1225 N VAL A 78 3.621 0.118 -2.724 1.00 0.00 N ATOM 1226 CA VAL A 78 3.202 -0.249 -4.073 1.00 0.00 C ATOM 1227 C VAL A 78 4.106 -1.337 -4.645 1.00 0.00 C ATOM 1228 O VAL A 78 5.148 -1.046 -5.233 1.00 0.00 O ATOM 1229 CB VAL A 78 3.218 0.973 -5.014 1.00 0.00 C ATOM 1230 CG1 VAL A 78 2.711 0.592 -6.398 1.00 0.00 C ATOM 1231 CG2 VAL A 78 2.387 2.106 -4.430 1.00 0.00 C ATOM 0 H VAL A 78 2.874 0.098 -2.030 1.00 0.00 H new ATOM 0 HA VAL A 78 2.182 -0.628 -4.004 1.00 0.00 H new ATOM 0 HB VAL A 78 4.247 1.318 -5.112 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.730 1.468 -7.046 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.350 -0.185 -6.818 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.689 0.220 -6.321 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.409 2.960 -5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.357 1.773 -4.300 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.798 2.398 -3.464 1.00 0.00 H new ATOM 1241 N ILE A 79 3.706 -2.592 -4.462 1.00 0.00 N ATOM 1242 CA ILE A 79 4.491 -3.720 -4.952 1.00 0.00 C ATOM 1243 C ILE A 79 3.733 -4.512 -6.010 1.00 0.00 C ATOM 1244 O ILE A 79 2.511 -4.649 -5.945 1.00 0.00 O ATOM 1245 CB ILE A 79 4.887 -4.683 -3.816 1.00 0.00 C ATOM 1246 CG1 ILE A 79 5.155 -3.919 -2.518 1.00 0.00 C ATOM 1247 CG2 ILE A 79 6.106 -5.497 -4.222 1.00 0.00 C ATOM 1248 CD1 ILE A 79 5.218 -4.811 -1.298 1.00 0.00 C ATOM 0 H ILE A 79 2.846 -2.853 -3.980 1.00 0.00 H new ATOM 0 HA ILE A 79 5.392 -3.290 -5.390 1.00 0.00 H new ATOM 0 HB ILE A 79 4.055 -5.364 -3.636 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.096 -3.377 -2.612 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.372 -3.175 -2.375 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.377 -6.174 -3.412 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.876 -6.075 -5.117 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.940 -4.826 -4.428 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.411 -4.204 -0.413 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.269 -5.334 -1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.020 -5.539 -1.421 1.00 0.00 H new ATOM 1260 N THR A 80 4.472 -5.041 -6.981 1.00 0.00 N ATOM 1261 CA THR A 80 3.889 -5.836 -8.061 1.00 0.00 C ATOM 1262 C THR A 80 4.909 -6.066 -9.172 1.00 0.00 C ATOM 1263 O THR A 80 5.194 -5.166 -9.964 1.00 0.00 O ATOM 1264 CB THR A 80 2.636 -5.163 -8.636 1.00 0.00 C ATOM 1265 OG1 THR A 80 2.600 -3.781 -8.307 1.00 0.00 O ATOM 1266 CG2 THR A 80 1.347 -5.801 -8.156 1.00 0.00 C ATOM 0 H THR A 80 5.484 -4.933 -7.043 1.00 0.00 H new ATOM 0 HA THR A 80 3.599 -6.798 -7.639 1.00 0.00 H new ATOM 0 HB THR A 80 2.705 -5.295 -9.716 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.227 -3.668 -7.408 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.497 -5.281 -8.597 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.326 -6.849 -8.455 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.290 -5.733 -7.070 1.00 0.00 H new ATOM 1317 N VAL A 85 11.656 -3.098 -13.864 1.00 0.00 N ATOM 1318 CA VAL A 85 11.470 -2.026 -12.895 1.00 0.00 C ATOM 1319 C VAL A 85 11.287 -0.682 -13.594 1.00 0.00 C ATOM 1320 O VAL A 85 12.066 0.251 -13.388 1.00 0.00 O ATOM 1321 CB VAL A 85 12.664 -1.934 -11.925 1.00 0.00 C ATOM 1322 CG1 VAL A 85 12.757 -3.190 -11.072 1.00 0.00 C ATOM 1323 CG2 VAL A 85 13.958 -1.705 -12.691 1.00 0.00 C ATOM 0 HA VAL A 85 10.570 -2.261 -12.327 1.00 0.00 H new ATOM 0 HB VAL A 85 12.505 -1.083 -11.262 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.606 -3.107 -10.393 1.00 0.00 H new ATOM 0 HG12 VAL A 85 11.840 -3.306 -10.494 1.00 0.00 H new ATOM 0 HG13 VAL A 85 12.892 -4.059 -11.717 1.00 0.00 H new ATOM 0 HG21 VAL A 85 14.790 -1.643 -11.989 1.00 0.00 H new ATOM 0 HG22 VAL A 85 14.125 -2.534 -13.379 1.00 0.00 H new ATOM 0 HG23 VAL A 85 13.888 -0.774 -13.254 1.00 0.00 H new ATOM 1333 N ASP A 86 10.251 -0.586 -14.420 1.00 0.00 N ATOM 1334 CA ASP A 86 9.966 0.643 -15.149 1.00 0.00 C ATOM 1335 C ASP A 86 8.793 1.391 -14.521 1.00 0.00 C ATOM 1336 O ASP A 86 8.718 2.617 -14.594 1.00 0.00 O ATOM 1337 CB ASP A 86 9.665 0.336 -16.617 1.00 0.00 C ATOM 1338 CG ASP A 86 10.761 -0.480 -17.273 1.00 0.00 C ATOM 1339 OD1 ASP A 86 11.949 -0.210 -16.995 1.00 0.00 O ATOM 1340 OD2 ASP A 86 10.433 -1.389 -18.063 1.00 0.00 O ATOM 0 H ASP A 86 9.595 -1.345 -14.601 1.00 0.00 H new ATOM 0 HA ASP A 86 10.849 1.279 -15.094 1.00 0.00 H new ATOM 0 HB2 ASP A 86 8.722 -0.206 -16.686 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.536 1.271 -17.162 1.00 0.00 H new ATOM 1345 N THR A 87 7.886 0.649 -13.893 1.00 0.00 N ATOM 1346 CA THR A 87 6.731 1.256 -13.241 1.00 0.00 C ATOM 1347 C THR A 87 7.100 1.690 -11.829 1.00 0.00 C ATOM 1348 O THR A 87 6.588 2.687 -11.319 1.00 0.00 O ATOM 1349 CB THR A 87 5.540 0.285 -13.228 1.00 0.00 C ATOM 1350 OG1 THR A 87 4.317 1.000 -13.225 1.00 0.00 O ATOM 1351 CG2 THR A 87 5.519 -0.656 -12.038 1.00 0.00 C ATOM 0 H THR A 87 7.928 -0.368 -13.822 1.00 0.00 H new ATOM 0 HA THR A 87 6.431 2.138 -13.806 1.00 0.00 H new ATOM 0 HB THR A 87 5.658 -0.314 -14.131 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.568 0.368 -13.218 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.648 -1.307 -12.105 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.425 -1.261 -12.037 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.469 -0.076 -11.116 1.00 0.00 H new ATOM 1359 N ALA A 88 8.012 0.946 -11.214 1.00 0.00 N ATOM 1360 CA ALA A 88 8.475 1.264 -9.873 1.00 0.00 C ATOM 1361 C ALA A 88 9.134 2.631 -9.868 1.00 0.00 C ATOM 1362 O ALA A 88 8.737 3.531 -9.128 1.00 0.00 O ATOM 1363 CB ALA A 88 9.454 0.209 -9.391 1.00 0.00 C ATOM 0 H ALA A 88 8.444 0.118 -11.625 1.00 0.00 H new ATOM 0 HA ALA A 88 7.620 1.279 -9.197 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.793 0.459 -8.386 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.963 -0.764 -9.377 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.311 0.173 -10.064 1.00 0.00 H new ATOM 1369 N VAL A 89 10.143 2.774 -10.718 1.00 0.00 N ATOM 1370 CA VAL A 89 10.872 4.028 -10.843 1.00 0.00 C ATOM 1371 C VAL A 89 9.915 5.192 -11.084 1.00 0.00 C ATOM 1372 O VAL A 89 10.182 6.323 -10.680 1.00 0.00 O ATOM 1373 CB VAL A 89 11.893 3.966 -11.994 1.00 0.00 C ATOM 1374 CG1 VAL A 89 12.910 2.866 -11.743 1.00 0.00 C ATOM 1375 CG2 VAL A 89 11.189 3.753 -13.327 1.00 0.00 C ATOM 0 H VAL A 89 10.476 2.032 -11.334 1.00 0.00 H new ATOM 0 HA VAL A 89 11.404 4.187 -9.905 1.00 0.00 H new ATOM 0 HB VAL A 89 12.420 4.919 -12.037 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.624 2.836 -12.566 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.439 3.065 -10.811 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.398 1.906 -11.672 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.929 3.712 -14.127 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.633 2.816 -13.299 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.501 4.578 -13.511 1.00 0.00 H new ATOM 1385 N LYS A 90 8.796 4.904 -11.747 1.00 0.00 N ATOM 1386 CA LYS A 90 7.800 5.926 -12.041 1.00 0.00 C ATOM 1387 C LYS A 90 6.983 6.271 -10.799 1.00 0.00 C ATOM 1388 O LYS A 90 6.390 7.346 -10.716 1.00 0.00 O ATOM 1389 CB LYS A 90 6.870 5.448 -13.156 1.00 0.00 C ATOM 1390 CG LYS A 90 6.066 6.563 -13.803 1.00 0.00 C ATOM 1391 CD LYS A 90 5.151 6.028 -14.893 1.00 0.00 C ATOM 1392 CE LYS A 90 5.773 6.185 -16.271 1.00 0.00 C ATOM 1393 NZ LYS A 90 4.782 6.660 -17.276 1.00 0.00 N ATOM 0 H LYS A 90 8.559 3.973 -12.089 1.00 0.00 H new ATOM 0 HA LYS A 90 8.324 6.824 -12.367 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.463 4.949 -13.922 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.183 4.705 -12.750 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.471 7.072 -13.044 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.744 7.304 -14.227 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.939 4.975 -14.707 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.198 6.556 -14.861 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.602 6.891 -16.217 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.188 5.230 -16.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.245 6.754 -18.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.003 5.974 -17.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.405 7.583 -16.982 1.00 0.00 H new ATOM 1407 N ALA A 91 6.946 5.350 -9.839 1.00 0.00 N ATOM 1408 CA ALA A 91 6.189 5.560 -8.611 1.00 0.00 C ATOM 1409 C ALA A 91 7.082 6.031 -7.466 1.00 0.00 C ATOM 1410 O ALA A 91 6.692 6.901 -6.688 1.00 0.00 O ATOM 1411 CB ALA A 91 5.461 4.283 -8.222 1.00 0.00 C ATOM 0 H ALA A 91 7.431 4.454 -9.889 1.00 0.00 H new ATOM 0 HA ALA A 91 5.460 6.347 -8.802 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.898 4.450 -7.303 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.776 3.997 -9.020 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.186 3.485 -8.063 1.00 0.00 H new ATOM 1417 N ILE A 92 8.274 5.450 -7.360 1.00 0.00 N ATOM 1418 CA ILE A 92 9.203 5.818 -6.295 1.00 0.00 C ATOM 1419 C ILE A 92 9.779 7.211 -6.519 1.00 0.00 C ATOM 1420 O ILE A 92 9.879 8.008 -5.586 1.00 0.00 O ATOM 1421 CB ILE A 92 10.351 4.792 -6.156 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.377 4.957 -7.281 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.791 3.379 -6.151 1.00 0.00 C ATOM 1424 CD1 ILE A 92 12.502 3.943 -7.226 1.00 0.00 C ATOM 0 H ILE A 92 8.618 4.728 -7.993 1.00 0.00 H new ATOM 0 HA ILE A 92 8.631 5.820 -5.367 1.00 0.00 H new ATOM 0 HB ILE A 92 10.860 4.974 -5.209 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.868 4.872 -8.241 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.800 5.960 -7.232 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.608 2.664 -6.053 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.104 3.263 -5.313 1.00 0.00 H new ATOM 0 HG23 ILE A 92 9.259 3.195 -7.084 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.191 4.119 -8.052 1.00 0.00 H new ATOM 0 HD12 ILE A 92 13.036 4.042 -6.281 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.090 2.937 -7.306 1.00 0.00 H new ATOM 1436 N LYS A 93 10.148 7.505 -7.760 1.00 0.00 N ATOM 1437 CA LYS A 93 10.702 8.810 -8.095 1.00 0.00 C ATOM 1438 C LYS A 93 9.689 9.913 -7.803 1.00 0.00 C ATOM 1439 O LYS A 93 10.058 11.069 -7.594 1.00 0.00 O ATOM 1440 CB LYS A 93 11.118 8.853 -9.566 1.00 0.00 C ATOM 1441 CG LYS A 93 12.160 9.916 -9.871 1.00 0.00 C ATOM 1442 CD LYS A 93 11.826 10.679 -11.143 1.00 0.00 C ATOM 1443 CE LYS A 93 12.235 12.139 -11.040 1.00 0.00 C ATOM 1444 NZ LYS A 93 13.576 12.382 -11.639 1.00 0.00 N ATOM 0 H LYS A 93 10.074 6.861 -8.547 1.00 0.00 H new ATOM 0 HA LYS A 93 11.585 8.976 -7.477 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.511 7.878 -9.853 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.236 9.034 -10.180 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.226 10.612 -9.035 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.139 9.448 -9.973 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.333 10.217 -11.990 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.756 10.613 -11.338 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.494 12.760 -11.544 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.245 12.440 -9.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.819 13.389 -11.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.287 11.808 -11.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.560 12.118 -12.645 1.00 0.00 H new ATOM 1458 N LYS A 94 8.409 9.545 -7.783 1.00 0.00 N ATOM 1459 CA LYS A 94 7.344 10.500 -7.508 1.00 0.00 C ATOM 1460 C LYS A 94 7.224 10.757 -6.010 1.00 0.00 C ATOM 1461 O LYS A 94 7.337 11.896 -5.556 1.00 0.00 O ATOM 1462 CB LYS A 94 6.013 9.988 -8.057 1.00 0.00 C ATOM 1463 CG LYS A 94 5.980 9.880 -9.572 1.00 0.00 C ATOM 1464 CD LYS A 94 5.542 11.186 -10.214 1.00 0.00 C ATOM 1465 CE LYS A 94 6.736 12.050 -10.587 1.00 0.00 C ATOM 1466 NZ LYS A 94 6.450 13.501 -10.405 1.00 0.00 N ATOM 0 H LYS A 94 8.087 8.592 -7.954 1.00 0.00 H new ATOM 0 HA LYS A 94 7.593 11.438 -8.004 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.805 9.008 -7.627 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.215 10.655 -7.731 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.969 9.606 -9.940 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.298 9.082 -9.866 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.952 10.975 -11.106 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.896 11.732 -9.526 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.593 11.769 -9.975 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.011 11.861 -11.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.289 14.056 -10.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 5.649 13.775 -11.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 6.213 13.686 -9.409 1.00 0.00 H new ATOM 1480 N GLY A 95 6.994 9.692 -5.245 1.00 0.00 N ATOM 1481 CA GLY A 95 6.866 9.837 -3.807 1.00 0.00 C ATOM 1482 C GLY A 95 6.615 8.524 -3.086 1.00 0.00 C ATOM 1483 O GLY A 95 5.993 8.508 -2.025 1.00 0.00 O ATOM 0 H GLY A 95 6.895 8.738 -5.593 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.775 10.291 -3.413 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.048 10.524 -3.590 1.00 0.00 H new ATOM 1487 N ALA A 96 7.105 7.420 -3.647 1.00 0.00 N ATOM 1488 CA ALA A 96 6.925 6.113 -3.022 1.00 0.00 C ATOM 1489 C ALA A 96 8.080 5.805 -2.076 1.00 0.00 C ATOM 1490 O ALA A 96 8.835 6.701 -1.696 1.00 0.00 O ATOM 1491 CB ALA A 96 6.780 5.021 -4.075 1.00 0.00 C ATOM 0 H ALA A 96 7.625 7.404 -4.525 1.00 0.00 H new ATOM 0 HA ALA A 96 6.005 6.140 -2.438 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.647 4.057 -3.584 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.913 5.232 -4.701 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.676 4.992 -4.695 1.00 0.00 H new ATOM 1497 N TYR A 97 8.213 4.540 -1.688 1.00 0.00 N ATOM 1498 CA TYR A 97 9.278 4.138 -0.778 1.00 0.00 C ATOM 1499 C TYR A 97 10.428 3.462 -1.522 1.00 0.00 C ATOM 1500 O TYR A 97 11.560 3.457 -1.041 1.00 0.00 O ATOM 1501 CB TYR A 97 8.718 3.225 0.321 1.00 0.00 C ATOM 1502 CG TYR A 97 9.776 2.591 1.200 1.00 0.00 C ATOM 1503 CD1 TYR A 97 10.555 3.363 2.052 1.00 0.00 C ATOM 1504 CD2 TYR A 97 9.990 1.218 1.180 1.00 0.00 C ATOM 1505 CE1 TYR A 97 11.518 2.786 2.859 1.00 0.00 C ATOM 1506 CE2 TYR A 97 10.951 0.634 1.984 1.00 0.00 C ATOM 1507 CZ TYR A 97 11.711 1.423 2.820 1.00 0.00 C ATOM 1508 OH TYR A 97 12.669 0.844 3.623 1.00 0.00 O ATOM 0 H TYR A 97 7.601 3.781 -1.988 1.00 0.00 H new ATOM 0 HA TYR A 97 9.682 5.036 -0.312 1.00 0.00 H new ATOM 0 HB2 TYR A 97 8.040 3.804 0.948 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.127 2.436 -0.144 1.00 0.00 H new ATOM 0 HD1 TYR A 97 10.406 4.432 2.085 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.396 0.597 0.526 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.115 3.401 3.516 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.105 -0.435 1.957 1.00 0.00 H new ATOM 0 HH TYR A 97 12.677 -0.125 3.476 1.00 0.00 H new ATOM 1518 N GLU A 98 10.125 2.918 -2.699 1.00 0.00 N ATOM 1519 CA GLU A 98 11.124 2.246 -3.552 1.00 0.00 C ATOM 1520 C GLU A 98 10.500 1.136 -4.395 1.00 0.00 C ATOM 1521 O GLU A 98 11.144 0.610 -5.303 1.00 0.00 O ATOM 1522 CB GLU A 98 12.278 1.652 -2.735 1.00 0.00 C ATOM 1523 CG GLU A 98 11.828 0.773 -1.576 1.00 0.00 C ATOM 1524 CD GLU A 98 12.766 0.855 -0.389 1.00 0.00 C ATOM 1525 OE1 GLU A 98 13.327 1.945 -0.149 1.00 0.00 O ATOM 1526 OE2 GLU A 98 12.942 -0.172 0.300 1.00 0.00 O ATOM 0 H GLU A 98 9.185 2.926 -3.094 1.00 0.00 H new ATOM 0 HA GLU A 98 11.516 3.022 -4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.914 1.065 -3.397 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.890 2.465 -2.345 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.827 1.071 -1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.762 -0.262 -1.913 1.00 0.00 H new ATOM 1533 N PHE A 99 9.256 0.770 -4.099 1.00 0.00 N ATOM 1534 CA PHE A 99 8.583 -0.288 -4.846 1.00 0.00 C ATOM 1535 C PHE A 99 9.215 -1.637 -4.527 1.00 0.00 C ATOM 1536 O PHE A 99 9.907 -2.228 -5.357 1.00 0.00 O ATOM 1537 CB PHE A 99 8.664 -0.014 -6.351 1.00 0.00 C ATOM 1538 CG PHE A 99 7.419 -0.380 -7.109 1.00 0.00 C ATOM 1539 CD1 PHE A 99 6.403 0.545 -7.286 1.00 0.00 C ATOM 1540 CD2 PHE A 99 7.272 -1.646 -7.652 1.00 0.00 C ATOM 1541 CE1 PHE A 99 5.263 0.213 -7.992 1.00 0.00 C ATOM 1542 CE2 PHE A 99 6.133 -1.982 -8.360 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.128 -1.052 -8.530 1.00 0.00 C ATOM 0 H PHE A 99 8.698 1.186 -3.354 1.00 0.00 H new ATOM 0 HA PHE A 99 7.534 -0.309 -4.551 1.00 0.00 H new ATOM 0 HB2 PHE A 99 8.873 1.045 -6.506 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.505 -0.569 -6.766 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.503 1.536 -6.868 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.055 -2.378 -7.521 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.477 0.942 -8.123 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.030 -2.972 -8.780 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.237 -1.313 -9.083 1.00 0.00 H new ATOM 1553 N LEU A 100 8.974 -2.116 -3.312 1.00 0.00 N ATOM 1554 CA LEU A 100 9.516 -3.389 -2.861 1.00 0.00 C ATOM 1555 C LEU A 100 9.250 -4.494 -3.880 1.00 0.00 C ATOM 1556 O LEU A 100 8.442 -4.328 -4.793 1.00 0.00 O ATOM 1557 CB LEU A 100 8.887 -3.740 -1.516 1.00 0.00 C ATOM 1558 CG LEU A 100 9.310 -5.074 -0.910 1.00 0.00 C ATOM 1559 CD1 LEU A 100 10.796 -5.077 -0.593 1.00 0.00 C ATOM 1560 CD2 LEU A 100 8.497 -5.343 0.340 1.00 0.00 C ATOM 0 H LEU A 100 8.402 -1.636 -2.618 1.00 0.00 H new ATOM 0 HA LEU A 100 10.597 -3.300 -2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.128 -2.948 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.803 -3.744 -1.634 1.00 0.00 H new ATOM 0 HG LEU A 100 9.123 -5.866 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 100 11.074 -6.039 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 100 11.364 -4.912 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.018 -4.282 0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.800 -6.297 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.667 -4.546 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.438 -5.380 0.084 1.00 0.00 H new ATOM 1572 N GLU A 101 9.938 -5.619 -3.720 1.00 0.00 N ATOM 1573 CA GLU A 101 9.778 -6.752 -4.623 1.00 0.00 C ATOM 1574 C GLU A 101 9.402 -8.008 -3.844 1.00 0.00 C ATOM 1575 O GLU A 101 10.266 -8.688 -3.290 1.00 0.00 O ATOM 1576 CB GLU A 101 11.066 -6.990 -5.412 1.00 0.00 C ATOM 1577 CG GLU A 101 11.522 -5.780 -6.211 1.00 0.00 C ATOM 1578 CD GLU A 101 12.190 -6.162 -7.517 1.00 0.00 C ATOM 1579 OE1 GLU A 101 13.343 -6.642 -7.477 1.00 0.00 O ATOM 1580 OE2 GLU A 101 11.561 -5.980 -8.581 1.00 0.00 O ATOM 0 H GLU A 101 10.614 -5.771 -2.971 1.00 0.00 H new ATOM 0 HA GLU A 101 8.974 -6.522 -5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.858 -7.278 -4.721 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.916 -7.829 -6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.663 -5.142 -6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.217 -5.193 -5.610 1.00 0.00 H new ATOM 1654 N VAL A 106 6.001 -12.603 0.427 1.00 0.00 N ATOM 1655 CA VAL A 106 5.499 -11.415 1.108 1.00 0.00 C ATOM 1656 C VAL A 106 6.034 -11.324 2.539 1.00 0.00 C ATOM 1657 O VAL A 106 5.764 -10.352 3.251 1.00 0.00 O ATOM 1658 CB VAL A 106 3.956 -11.400 1.137 1.00 0.00 C ATOM 1659 CG1 VAL A 106 3.423 -12.640 1.836 1.00 0.00 C ATOM 1660 CG2 VAL A 106 3.442 -10.132 1.807 1.00 0.00 C ATOM 0 HA VAL A 106 5.853 -10.552 0.544 1.00 0.00 H new ATOM 0 HB VAL A 106 3.592 -11.408 0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.333 -12.612 1.847 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.758 -13.530 1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.795 -12.669 2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.352 -10.142 1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.814 -10.085 2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.792 -9.261 1.254 1.00 0.00 H new ATOM 1670 N GLU A 107 6.813 -12.319 2.955 1.00 0.00 N ATOM 1671 CA GLU A 107 7.389 -12.314 4.289 1.00 0.00 C ATOM 1672 C GLU A 107 8.437 -11.215 4.390 1.00 0.00 C ATOM 1673 O GLU A 107 8.500 -10.490 5.382 1.00 0.00 O ATOM 1674 CB GLU A 107 8.011 -13.669 4.610 1.00 0.00 C ATOM 1675 CG GLU A 107 7.945 -14.034 6.084 1.00 0.00 C ATOM 1676 CD GLU A 107 9.123 -14.877 6.529 1.00 0.00 C ATOM 1677 OE1 GLU A 107 9.675 -15.618 5.688 1.00 0.00 O ATOM 1678 OE2 GLU A 107 9.495 -14.796 7.719 1.00 0.00 O ATOM 0 H GLU A 107 7.056 -13.132 2.389 1.00 0.00 H new ATOM 0 HA GLU A 107 6.598 -12.122 5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.503 -14.439 4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.053 -13.666 4.291 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.911 -13.122 6.679 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.020 -14.577 6.279 1.00 0.00 H new ATOM 1685 N ARG A 108 9.243 -11.085 3.339 1.00 0.00 N ATOM 1686 CA ARG A 108 10.272 -10.057 3.291 1.00 0.00 C ATOM 1687 C ARG A 108 9.621 -8.683 3.381 1.00 0.00 C ATOM 1688 O ARG A 108 10.164 -7.760 3.987 1.00 0.00 O ATOM 1689 CB ARG A 108 11.086 -10.171 2.001 1.00 0.00 C ATOM 1690 CG ARG A 108 12.483 -9.583 2.107 1.00 0.00 C ATOM 1691 CD ARG A 108 13.421 -10.187 1.074 1.00 0.00 C ATOM 1692 NE ARG A 108 13.134 -9.704 -0.275 1.00 0.00 N ATOM 1693 CZ ARG A 108 13.504 -8.509 -0.729 1.00 0.00 C ATOM 1694 NH1 ARG A 108 14.175 -7.673 0.054 1.00 0.00 N ATOM 1695 NH2 ARG A 108 13.203 -8.149 -1.969 1.00 0.00 N ATOM 0 H ARG A 108 9.201 -11.680 2.511 1.00 0.00 H new ATOM 0 HA ARG A 108 10.948 -10.193 4.135 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.164 -11.222 1.722 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.549 -9.667 1.197 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.436 -8.503 1.970 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.879 -9.760 3.107 1.00 0.00 H new ATOM 0 HD2 ARG A 108 14.451 -9.945 1.334 1.00 0.00 H new ATOM 0 HD3 ARG A 108 13.334 -11.273 1.096 1.00 0.00 H new ATOM 0 HE ARG A 108 12.620 -10.319 -0.906 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.409 -7.945 1.009 1.00 0.00 H new ATOM 0 HH12 ARG A 108 14.456 -6.758 -0.299 1.00 0.00 H new ATOM 0 HH21 ARG A 108 12.688 -8.788 -2.575 1.00 0.00 H new ATOM 0 HH22 ARG A 108 13.486 -7.233 -2.317 1.00 0.00 H new ATOM 1709 N PHE A 109 8.436 -8.570 2.786 1.00 0.00 N ATOM 1710 CA PHE A 109 7.682 -7.325 2.810 1.00 0.00 C ATOM 1711 C PHE A 109 7.351 -6.961 4.251 1.00 0.00 C ATOM 1712 O PHE A 109 7.417 -5.795 4.644 1.00 0.00 O ATOM 1713 CB PHE A 109 6.399 -7.471 1.980 1.00 0.00 C ATOM 1714 CG PHE A 109 5.403 -6.360 2.182 1.00 0.00 C ATOM 1715 CD1 PHE A 109 5.817 -5.040 2.243 1.00 0.00 C ATOM 1716 CD2 PHE A 109 4.051 -6.640 2.309 1.00 0.00 C ATOM 1717 CE1 PHE A 109 4.902 -4.020 2.426 1.00 0.00 C ATOM 1718 CE2 PHE A 109 3.132 -5.625 2.493 1.00 0.00 C ATOM 1719 CZ PHE A 109 3.559 -4.313 2.551 1.00 0.00 C ATOM 0 H PHE A 109 7.979 -9.329 2.281 1.00 0.00 H new ATOM 0 HA PHE A 109 8.283 -6.527 2.373 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.666 -7.517 0.924 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.924 -8.420 2.230 1.00 0.00 H new ATOM 0 HD1 PHE A 109 6.867 -4.805 2.147 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.712 -7.664 2.264 1.00 0.00 H new ATOM 0 HE1 PHE A 109 5.238 -2.995 2.471 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.082 -5.857 2.591 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.843 -3.517 2.694 1.00 0.00 H new ATOM 1729 N LEU A 110 7.006 -7.977 5.037 1.00 0.00 N ATOM 1730 CA LEU A 110 6.674 -7.788 6.445 1.00 0.00 C ATOM 1731 C LEU A 110 7.728 -6.940 7.155 1.00 0.00 C ATOM 1732 O LEU A 110 7.406 -5.958 7.822 1.00 0.00 O ATOM 1733 CB LEU A 110 6.556 -9.137 7.137 1.00 0.00 C ATOM 1734 CG LEU A 110 5.460 -9.217 8.197 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.254 -10.656 8.631 1.00 0.00 C ATOM 1736 CD2 LEU A 110 5.808 -8.338 9.390 1.00 0.00 C ATOM 0 H LEU A 110 6.949 -8.945 4.720 1.00 0.00 H new ATOM 0 HA LEU A 110 5.720 -7.264 6.497 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.370 -9.902 6.383 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.512 -9.376 7.604 1.00 0.00 H new ATOM 0 HG LEU A 110 4.528 -8.851 7.765 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.470 -10.699 9.387 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.962 -11.257 7.770 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.182 -11.047 9.048 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.016 -8.407 10.136 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.748 -8.673 9.827 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.909 -7.303 9.062 1.00 0.00 H new ATOM 1748 N LEU A 111 8.988 -7.336 7.010 1.00 0.00 N ATOM 1749 CA LEU A 111 10.096 -6.625 7.640 1.00 0.00 C ATOM 1750 C LEU A 111 10.133 -5.160 7.217 1.00 0.00 C ATOM 1751 O LEU A 111 10.287 -4.268 8.051 1.00 0.00 O ATOM 1752 CB LEU A 111 11.424 -7.298 7.290 1.00 0.00 C ATOM 1753 CG LEU A 111 11.573 -8.741 7.783 1.00 0.00 C ATOM 1754 CD1 LEU A 111 11.385 -9.721 6.636 1.00 0.00 C ATOM 1755 CD2 LEU A 111 12.930 -8.944 8.441 1.00 0.00 C ATOM 0 H LEU A 111 9.269 -8.148 6.460 1.00 0.00 H new ATOM 0 HA LEU A 111 9.943 -6.663 8.718 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.544 -7.287 6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.236 -6.703 7.707 1.00 0.00 H new ATOM 0 HG LEU A 111 10.798 -8.930 8.526 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.495 -10.740 7.007 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.390 -9.595 6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 111 12.136 -9.531 5.869 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.017 -9.975 8.785 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.719 -8.734 7.719 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.027 -8.269 9.291 1.00 0.00 H new ATOM 1767 N THR A 112 9.998 -4.918 5.917 1.00 0.00 N ATOM 1768 CA THR A 112 10.023 -3.559 5.386 1.00 0.00 C ATOM 1769 C THR A 112 8.891 -2.717 5.969 1.00 0.00 C ATOM 1770 O THR A 112 9.078 -1.541 6.282 1.00 0.00 O ATOM 1771 CB THR A 112 9.917 -3.587 3.860 1.00 0.00 C ATOM 1772 OG1 THR A 112 10.989 -4.324 3.298 1.00 0.00 O ATOM 1773 CG2 THR A 112 9.930 -2.210 3.231 1.00 0.00 C ATOM 0 H THR A 112 9.870 -5.644 5.212 1.00 0.00 H new ATOM 0 HA THR A 112 10.970 -3.104 5.674 1.00 0.00 H new ATOM 0 HB THR A 112 8.957 -4.056 3.647 1.00 0.00 H new ATOM 0 HG1 THR A 112 10.904 -4.333 2.322 1.00 0.00 H new ATOM 0 HG21 THR A 112 9.852 -2.304 2.148 1.00 0.00 H new ATOM 0 HG22 THR A 112 9.087 -1.630 3.607 1.00 0.00 H new ATOM 0 HG23 THR A 112 10.861 -1.703 3.485 1.00 0.00 H new ATOM 1781 N ILE A 113 7.717 -3.324 6.107 1.00 0.00 N ATOM 1782 CA ILE A 113 6.549 -2.632 6.647 1.00 0.00 C ATOM 1783 C ILE A 113 6.888 -1.878 7.929 1.00 0.00 C ATOM 1784 O ILE A 113 6.651 -0.675 8.030 1.00 0.00 O ATOM 1785 CB ILE A 113 5.390 -3.622 6.916 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.540 -3.798 5.657 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.527 -3.158 8.080 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.933 -2.508 5.151 1.00 0.00 C ATOM 0 H ILE A 113 7.547 -4.297 5.852 1.00 0.00 H new ATOM 0 HA ILE A 113 6.231 -1.910 5.895 1.00 0.00 H new ATOM 0 HB ILE A 113 5.824 -4.585 7.185 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.157 -4.233 4.870 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.740 -4.509 5.865 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.722 -3.874 8.244 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.138 -3.086 8.980 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.102 -2.181 7.851 1.00 0.00 H new ATOM 0 HD11 ILE A 113 3.344 -2.709 4.256 1.00 0.00 H new ATOM 0 HD12 ILE A 113 3.290 -2.082 5.921 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.728 -1.802 4.911 1.00 0.00 H new ATOM 1800 N LYS A 114 7.446 -2.589 8.904 1.00 0.00 N ATOM 1801 CA LYS A 114 7.818 -1.980 10.175 1.00 0.00 C ATOM 1802 C LYS A 114 8.567 -0.684 9.921 1.00 0.00 C ATOM 1803 O LYS A 114 8.146 0.389 10.352 1.00 0.00 O ATOM 1804 CB LYS A 114 8.681 -2.938 10.995 1.00 0.00 C ATOM 1805 CG LYS A 114 9.022 -2.416 12.382 1.00 0.00 C ATOM 1806 CD LYS A 114 10.430 -1.838 12.431 1.00 0.00 C ATOM 1807 CE LYS A 114 10.441 -0.449 13.051 1.00 0.00 C ATOM 1808 NZ LYS A 114 10.518 -0.505 14.538 1.00 0.00 N ATOM 0 H LYS A 114 7.650 -3.586 8.838 1.00 0.00 H new ATOM 0 HA LYS A 114 6.912 -1.764 10.742 1.00 0.00 H new ATOM 0 HB2 LYS A 114 8.160 -3.890 11.093 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.606 -3.135 10.453 1.00 0.00 H new ATOM 0 HG2 LYS A 114 8.303 -1.649 12.670 1.00 0.00 H new ATOM 0 HG3 LYS A 114 8.934 -3.224 13.108 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.076 -2.500 13.007 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.840 -1.791 11.422 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.290 0.114 12.664 1.00 0.00 H new ATOM 0 HE3 LYS A 114 9.540 0.088 12.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 10.523 0.462 14.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 9.695 -1.021 14.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 11.390 -0.995 14.822 1.00 0.00 H new ATOM 1822 N HIS A 115 9.679 -0.796 9.208 1.00 0.00 N ATOM 1823 CA HIS A 115 10.498 0.364 8.878 1.00 0.00 C ATOM 1824 C HIS A 115 9.651 1.466 8.249 1.00 0.00 C ATOM 1825 O HIS A 115 9.956 2.650 8.388 1.00 0.00 O ATOM 1826 CB HIS A 115 11.625 -0.037 7.927 1.00 0.00 C ATOM 1827 CG HIS A 115 12.622 1.054 7.687 1.00 0.00 C ATOM 1828 ND1 HIS A 115 13.856 1.094 8.303 1.00 0.00 N ATOM 1829 CD2 HIS A 115 12.566 2.149 6.891 1.00 0.00 C ATOM 1830 CE1 HIS A 115 14.514 2.166 7.897 1.00 0.00 C ATOM 1831 NE2 HIS A 115 13.754 2.821 7.041 1.00 0.00 N ATOM 0 H HIS A 115 10.036 -1.680 8.846 1.00 0.00 H new ATOM 0 HA HIS A 115 10.932 0.748 9.802 1.00 0.00 H new ATOM 0 HB2 HIS A 115 12.141 -0.906 8.334 1.00 0.00 H new ATOM 0 HB3 HIS A 115 11.194 -0.340 6.973 1.00 0.00 H new ATOM 0 HD2 HIS A 115 11.741 2.439 6.257 1.00 0.00 H new ATOM 0 HE1 HIS A 115 15.505 2.456 8.213 1.00 0.00 H new ATOM 0 HE2 HIS A 115 14.008 3.688 6.567 1.00 0.00 H new ATOM 1840 N ALA A 116 8.580 1.074 7.560 1.00 0.00 N ATOM 1841 CA ALA A 116 7.694 2.038 6.923 1.00 0.00 C ATOM 1842 C ALA A 116 6.991 2.896 7.969 1.00 0.00 C ATOM 1843 O ALA A 116 6.723 4.076 7.744 1.00 0.00 O ATOM 1844 CB ALA A 116 6.675 1.324 6.049 1.00 0.00 C ATOM 0 H ALA A 116 8.309 0.099 7.431 1.00 0.00 H new ATOM 0 HA ALA A 116 8.295 2.692 6.292 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.020 2.058 5.580 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.193 0.754 5.277 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.080 0.647 6.662 1.00 0.00 H new ATOM 1850 N PHE A 117 6.695 2.291 9.116 1.00 0.00 N ATOM 1851 CA PHE A 117 6.024 2.990 10.203 1.00 0.00 C ATOM 1852 C PHE A 117 6.998 3.873 10.979 1.00 0.00 C ATOM 1853 O PHE A 117 6.590 4.834 11.632 1.00 0.00 O ATOM 1854 CB PHE A 117 5.368 1.982 11.147 1.00 0.00 C ATOM 1855 CG PHE A 117 4.047 1.473 10.649 1.00 0.00 C ATOM 1856 CD1 PHE A 117 3.990 0.498 9.665 1.00 0.00 C ATOM 1857 CD2 PHE A 117 2.862 1.971 11.163 1.00 0.00 C ATOM 1858 CE1 PHE A 117 2.774 0.032 9.205 1.00 0.00 C ATOM 1859 CE2 PHE A 117 1.644 1.510 10.707 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.599 0.540 9.727 1.00 0.00 C ATOM 0 H PHE A 117 6.911 1.314 9.315 1.00 0.00 H new ATOM 0 HA PHE A 117 5.257 3.632 9.769 1.00 0.00 H new ATOM 0 HB2 PHE A 117 6.043 1.138 11.292 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.226 2.448 12.122 1.00 0.00 H new ATOM 0 HD1 PHE A 117 4.906 0.099 9.254 1.00 0.00 H new ATOM 0 HD2 PHE A 117 2.891 2.730 11.931 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.741 -0.728 8.439 1.00 0.00 H new ATOM 0 HE2 PHE A 117 0.727 1.908 11.117 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.647 0.178 9.368 1.00 0.00 H new ATOM 1870 N GLU A 118 8.286 3.545 10.907 1.00 0.00 N ATOM 1871 CA GLU A 118 9.312 4.315 11.606 1.00 0.00 C ATOM 1872 C GLU A 118 9.206 5.801 11.277 1.00 0.00 C ATOM 1873 O GLU A 118 9.620 6.652 12.064 1.00 0.00 O ATOM 1874 CB GLU A 118 10.704 3.798 11.249 1.00 0.00 C ATOM 1875 CG GLU A 118 11.048 2.471 11.904 1.00 0.00 C ATOM 1876 CD GLU A 118 12.505 2.091 11.722 1.00 0.00 C ATOM 1877 OE1 GLU A 118 12.850 1.560 10.646 1.00 0.00 O ATOM 1878 OE2 GLU A 118 13.300 2.326 12.656 1.00 0.00 O ATOM 0 H GLU A 118 8.644 2.753 10.373 1.00 0.00 H new ATOM 0 HA GLU A 118 9.151 4.190 12.677 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.775 3.688 10.167 1.00 0.00 H new ATOM 0 HB3 GLU A 118 11.445 4.541 11.543 1.00 0.00 H new ATOM 0 HG2 GLU A 118 10.821 2.526 12.969 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.417 1.688 11.483 1.00 0.00 H new