USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 644 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 83 CYS SG : rot 76:sc= 1.77 USER MOD Set 1.2: A 85 TYR OH : rot 62:sc= 1.09 USER MOD Set 2.1: A 27 CYS SG : rot 149:sc= 0.881 USER MOD Set 2.2: A 77 CYS SG : rot -113:sc= -0.424 USER MOD Single : A 5 HIS : no HD1:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.0489 K(o=-0.049,f=-0.82) USER MOD Single : A 16 HIS : no HD1:sc= -0.41 K(o=-0.41,f=-1.1) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -18:sc= 0.136 USER MOD Single : A 22 CYS SG : rot 35:sc= 0.0272 USER MOD Single : A 24 MET CE :methyl 161:sc= -0.554 (180deg=-1.21) USER MOD Single : A 39 TYR OH : rot 130:sc= -0.0497 USER MOD Single : A 40 LYS NZ :NH3+ 177:sc= -0.111 (180deg=-0.185) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 48 SER OG : rot 22:sc= 0.301 USER MOD Single : A 55 ASN : amide:sc= -0.0332 X(o=-0.033,f=0) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -0.0234 F(o=-0.53,f=-0.023) USER MOD Single : A 67 THR OG1 : rot 110:sc=5.84e-05 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.66 K(o=-1.7,f=-5.8!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 123:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 50 N VAL A 4 -11.857 -12.278 -2.568 1.00 72.23 N ATOM 51 CA VAL A 4 -10.522 -11.747 -2.172 1.00 62.00 C ATOM 52 C VAL A 4 -10.471 -11.410 -0.669 1.00 12.51 C ATOM 53 O VAL A 4 -11.493 -11.079 -0.063 1.00 62.32 O ATOM 54 CB VAL A 4 -10.128 -10.479 -3.031 1.00 4.13 C ATOM 55 CG1 VAL A 4 -11.127 -9.319 -2.852 1.00 64.42 C ATOM 56 CG2 VAL A 4 -8.668 -10.005 -2.759 1.00 70.22 C ATOM 0 HA VAL A 4 -9.795 -12.534 -2.369 1.00 62.00 H new ATOM 0 HB VAL A 4 -10.177 -10.797 -4.072 1.00 4.13 H new ATOM 0 HG11 VAL A 4 -10.814 -8.472 -3.462 1.00 64.42 H new ATOM 0 HG12 VAL A 4 -12.120 -9.643 -3.164 1.00 64.42 H new ATOM 0 HG13 VAL A 4 -11.155 -9.021 -1.804 1.00 64.42 H new ATOM 0 HG21 VAL A 4 -8.448 -9.132 -3.374 1.00 70.22 H new ATOM 0 HG22 VAL A 4 -8.560 -9.744 -1.706 1.00 70.22 H new ATOM 0 HG23 VAL A 4 -7.973 -10.807 -3.007 1.00 70.22 H new ATOM 66 N HIS A 5 -9.268 -11.539 -0.076 1.00 15.43 N ATOM 67 CA HIS A 5 -8.999 -11.106 1.303 1.00 33.11 C ATOM 68 C HIS A 5 -7.528 -10.646 1.454 1.00 20.23 C ATOM 69 O HIS A 5 -6.600 -11.308 0.961 1.00 71.23 O ATOM 70 CB HIS A 5 -9.344 -12.228 2.315 1.00 24.52 C ATOM 71 CG HIS A 5 -9.254 -11.792 3.755 1.00 52.40 C ATOM 72 ND1 HIS A 5 -8.243 -12.191 4.598 1.00 31.34 N ATOM 73 CD2 HIS A 5 -10.045 -10.968 4.492 1.00 11.02 C ATOM 74 CE1 HIS A 5 -8.413 -11.644 5.780 1.00 71.21 C ATOM 75 NE2 HIS A 5 -9.494 -10.901 5.745 1.00 42.55 N ATOM 0 H HIS A 5 -8.458 -11.947 -0.542 1.00 15.43 H new ATOM 0 HA HIS A 5 -9.642 -10.254 1.524 1.00 33.11 H new ATOM 0 HB2 HIS A 5 -10.354 -12.587 2.116 1.00 24.52 H new ATOM 0 HB3 HIS A 5 -8.669 -13.069 2.156 1.00 24.52 H new ATOM 0 HD2 HIS A 5 -10.938 -10.462 4.154 1.00 11.02 H new ATOM 0 HE1 HIS A 5 -7.771 -11.783 6.637 1.00 71.21 H new ATOM 0 HE2 HIS A 5 -9.865 -10.360 6.526 1.00 42.55 H new ATOM 84 N ILE A 6 -7.334 -9.491 2.128 1.00 70.12 N ATOM 85 CA ILE A 6 -5.994 -8.916 2.400 1.00 31.42 C ATOM 86 C ILE A 6 -5.305 -9.677 3.553 1.00 4.32 C ATOM 87 O ILE A 6 -5.880 -9.832 4.638 1.00 63.43 O ATOM 88 CB ILE A 6 -6.081 -7.383 2.761 1.00 22.32 C ATOM 89 CG1 ILE A 6 -6.926 -6.620 1.696 1.00 73.33 C ATOM 90 CG2 ILE A 6 -4.663 -6.751 2.891 1.00 63.32 C ATOM 91 CD1 ILE A 6 -7.205 -5.164 2.018 1.00 44.03 C ATOM 0 H ILE A 6 -8.100 -8.930 2.499 1.00 70.12 H new ATOM 0 HA ILE A 6 -5.405 -9.021 1.489 1.00 31.42 H new ATOM 0 HB ILE A 6 -6.575 -7.293 3.728 1.00 22.32 H new ATOM 0 HG12 ILE A 6 -6.407 -6.671 0.739 1.00 73.33 H new ATOM 0 HG13 ILE A 6 -7.877 -7.137 1.571 1.00 73.33 H new ATOM 0 HG21 ILE A 6 -4.757 -5.694 3.140 1.00 63.32 H new ATOM 0 HG22 ILE A 6 -4.108 -7.261 3.678 1.00 63.32 H new ATOM 0 HG23 ILE A 6 -4.130 -6.855 1.946 1.00 63.32 H new ATOM 0 HD11 ILE A 6 -7.798 -4.722 1.218 1.00 44.03 H new ATOM 0 HD12 ILE A 6 -7.755 -5.098 2.957 1.00 44.03 H new ATOM 0 HD13 ILE A 6 -6.262 -4.625 2.111 1.00 44.03 H new ATOM 103 N VAL A 7 -4.077 -10.151 3.302 1.00 44.32 N ATOM 104 CA VAL A 7 -3.286 -10.898 4.302 1.00 13.03 C ATOM 105 C VAL A 7 -2.382 -9.953 5.137 1.00 4.41 C ATOM 106 O VAL A 7 -2.157 -10.194 6.334 1.00 74.25 O ATOM 107 CB VAL A 7 -2.434 -12.038 3.622 1.00 32.11 C ATOM 108 CG1 VAL A 7 -3.360 -13.117 3.009 1.00 72.03 C ATOM 109 CG2 VAL A 7 -1.444 -11.476 2.566 1.00 13.01 C ATOM 0 H VAL A 7 -3.602 -10.031 2.407 1.00 44.32 H new ATOM 0 HA VAL A 7 -3.992 -11.369 4.986 1.00 13.03 H new ATOM 0 HB VAL A 7 -1.830 -12.506 4.400 1.00 32.11 H new ATOM 0 HG11 VAL A 7 -2.754 -13.895 2.544 1.00 72.03 H new ATOM 0 HG12 VAL A 7 -3.976 -13.557 3.794 1.00 72.03 H new ATOM 0 HG13 VAL A 7 -4.003 -12.660 2.257 1.00 72.03 H new ATOM 0 HG21 VAL A 7 -0.879 -12.297 2.124 1.00 13.01 H new ATOM 0 HG22 VAL A 7 -2.000 -10.957 1.786 1.00 13.01 H new ATOM 0 HG23 VAL A 7 -0.757 -10.779 3.046 1.00 13.01 H new ATOM 119 N ASP A 8 -1.885 -8.870 4.499 1.00 72.23 N ATOM 120 CA ASP A 8 -1.016 -7.878 5.164 1.00 65.33 C ATOM 121 C ASP A 8 -1.103 -6.507 4.431 1.00 2.22 C ATOM 122 O ASP A 8 -0.797 -6.439 3.243 1.00 63.13 O ATOM 123 CB ASP A 8 0.454 -8.388 5.216 1.00 31.02 C ATOM 124 CG ASP A 8 1.334 -7.559 6.169 1.00 4.23 C ATOM 125 OD1 ASP A 8 1.859 -6.502 5.756 1.00 10.21 O ATOM 126 OD2 ASP A 8 1.485 -7.949 7.348 1.00 44.54 O ATOM 0 H ASP A 8 -2.073 -8.662 3.518 1.00 72.23 H new ATOM 0 HA ASP A 8 -1.362 -7.741 6.188 1.00 65.33 H new ATOM 0 HB2 ASP A 8 0.462 -9.430 5.534 1.00 31.02 H new ATOM 0 HB3 ASP A 8 0.881 -8.357 4.214 1.00 31.02 H new ATOM 131 N PRO A 9 -1.522 -5.382 5.110 1.00 72.33 N ATOM 132 CA PRO A 9 -1.944 -5.358 6.539 1.00 42.21 C ATOM 133 C PRO A 9 -3.433 -5.753 6.759 1.00 25.24 C ATOM 134 O PRO A 9 -4.261 -5.641 5.848 1.00 3.24 O ATOM 135 CB PRO A 9 -1.696 -3.886 6.922 1.00 75.25 C ATOM 136 CG PRO A 9 -2.007 -3.121 5.673 1.00 23.00 C ATOM 137 CD PRO A 9 -1.597 -4.018 4.510 1.00 64.32 C ATOM 0 HA PRO A 9 -1.400 -6.085 7.143 1.00 42.21 H new ATOM 0 HB2 PRO A 9 -2.337 -3.577 7.748 1.00 75.25 H new ATOM 0 HB3 PRO A 9 -0.666 -3.726 7.240 1.00 75.25 H new ATOM 0 HG2 PRO A 9 -3.068 -2.877 5.621 1.00 23.00 H new ATOM 0 HG3 PRO A 9 -1.461 -2.178 5.648 1.00 23.00 H new ATOM 0 HD2 PRO A 9 -2.326 -3.978 3.700 1.00 64.32 H new ATOM 0 HD3 PRO A 9 -0.638 -3.714 4.091 1.00 64.32 H new ATOM 145 N ARG A 10 -3.752 -6.203 7.986 1.00 0.13 N ATOM 146 CA ARG A 10 -5.127 -6.584 8.376 1.00 13.35 C ATOM 147 C ARG A 10 -6.074 -5.355 8.434 1.00 1.32 C ATOM 148 O ARG A 10 -7.135 -5.342 7.801 1.00 4.30 O ATOM 149 CB ARG A 10 -5.104 -7.297 9.754 1.00 61.41 C ATOM 150 CG ARG A 10 -4.431 -8.687 9.766 1.00 51.35 C ATOM 151 CD ARG A 10 -5.180 -9.707 8.894 1.00 62.24 C ATOM 152 NE ARG A 10 -4.581 -11.047 8.985 1.00 52.05 N ATOM 153 CZ ARG A 10 -5.226 -12.187 8.875 1.00 44.52 C ATOM 154 NH1 ARG A 10 -6.505 -12.231 8.651 1.00 51.23 N ATOM 155 NH2 ARG A 10 -4.573 -13.288 8.996 1.00 43.34 N ATOM 0 H ARG A 10 -3.068 -6.314 8.735 1.00 0.13 H new ATOM 0 HA ARG A 10 -5.512 -7.262 7.615 1.00 13.35 H new ATOM 0 HB2 ARG A 10 -4.588 -6.655 10.468 1.00 61.41 H new ATOM 0 HB3 ARG A 10 -6.130 -7.405 10.106 1.00 61.41 H new ATOM 0 HG2 ARG A 10 -3.405 -8.594 9.411 1.00 51.35 H new ATOM 0 HG3 ARG A 10 -4.382 -9.055 10.791 1.00 51.35 H new ATOM 0 HD2 ARG A 10 -6.224 -9.754 9.204 1.00 62.24 H new ATOM 0 HD3 ARG A 10 -5.171 -9.374 7.856 1.00 62.24 H new ATOM 0 HE ARG A 10 -3.575 -11.096 9.148 1.00 52.05 H new ATOM 0 HH11 ARG A 10 -7.036 -11.365 8.556 1.00 51.23 H new ATOM 0 HH12 ARG A 10 -6.978 -13.131 8.570 1.00 51.23 H new ATOM 0 HH21 ARG A 10 -3.569 -13.268 9.175 1.00 43.34 H new ATOM 0 HH22 ARG A 10 -5.059 -14.181 8.913 1.00 43.34 H new ATOM 169 N GLU A 11 -5.670 -4.325 9.201 1.00 42.02 N ATOM 170 CA GLU A 11 -6.522 -3.142 9.494 1.00 42.24 C ATOM 171 C GLU A 11 -5.842 -1.801 9.100 1.00 54.04 C ATOM 172 O GLU A 11 -6.099 -1.274 8.018 1.00 70.25 O ATOM 173 CB GLU A 11 -7.004 -3.176 10.998 1.00 70.04 C ATOM 174 CG GLU A 11 -6.143 -4.015 11.987 1.00 13.31 C ATOM 175 CD GLU A 11 -4.802 -3.375 12.371 1.00 55.14 C ATOM 176 OE1 GLU A 11 -4.767 -2.575 13.327 1.00 15.23 O ATOM 177 OE2 GLU A 11 -3.783 -3.651 11.701 1.00 41.32 O ATOM 0 H GLU A 11 -4.749 -4.283 9.637 1.00 42.02 H new ATOM 0 HA GLU A 11 -7.409 -3.199 8.863 1.00 42.24 H new ATOM 0 HB2 GLU A 11 -7.044 -2.151 11.366 1.00 70.04 H new ATOM 0 HB3 GLU A 11 -8.023 -3.563 11.021 1.00 70.04 H new ATOM 0 HG2 GLU A 11 -6.721 -4.187 12.895 1.00 13.31 H new ATOM 0 HG3 GLU A 11 -5.950 -4.991 11.542 1.00 13.31 H new ATOM 184 N HIS A 12 -4.951 -1.271 9.950 1.00 33.21 N ATOM 185 CA HIS A 12 -4.380 0.084 9.786 1.00 63.32 C ATOM 186 C HIS A 12 -2.908 0.123 10.237 1.00 1.45 C ATOM 187 O HIS A 12 -2.542 -0.502 11.233 1.00 12.11 O ATOM 188 CB HIS A 12 -5.231 1.121 10.566 1.00 74.53 C ATOM 189 CG HIS A 12 -5.441 0.796 12.024 1.00 53.22 C ATOM 190 ND1 HIS A 12 -4.431 0.854 12.961 1.00 4.44 N ATOM 191 CD2 HIS A 12 -6.550 0.430 12.707 1.00 42.34 C ATOM 192 CE1 HIS A 12 -4.908 0.548 14.144 1.00 70.50 C ATOM 193 NE2 HIS A 12 -6.190 0.282 14.021 1.00 24.22 N ATOM 0 H HIS A 12 -4.603 -1.765 10.772 1.00 33.21 H new ATOM 0 HA HIS A 12 -4.405 0.344 8.728 1.00 63.32 H new ATOM 0 HB2 HIS A 12 -4.749 2.096 10.491 1.00 74.53 H new ATOM 0 HB3 HIS A 12 -6.204 1.208 10.083 1.00 74.53 H new ATOM 0 HD2 HIS A 12 -7.537 0.282 12.293 1.00 42.34 H new ATOM 0 HE1 HIS A 12 -4.343 0.519 15.064 1.00 70.50 H new ATOM 0 HE2 HIS A 12 -6.815 0.010 14.780 1.00 24.22 H new ATOM 202 N VAL A 13 -2.064 0.846 9.482 1.00 65.50 N ATOM 203 CA VAL A 13 -0.622 1.006 9.787 1.00 2.24 C ATOM 204 C VAL A 13 -0.230 2.505 9.825 1.00 24.24 C ATOM 205 O VAL A 13 -0.436 3.242 8.849 1.00 30.31 O ATOM 206 CB VAL A 13 0.265 0.211 8.751 1.00 2.35 C ATOM 207 CG1 VAL A 13 1.782 0.493 8.939 1.00 62.42 C ATOM 208 CG2 VAL A 13 -0.041 -1.312 8.840 1.00 63.42 C ATOM 0 H VAL A 13 -2.358 1.340 8.639 1.00 65.50 H new ATOM 0 HA VAL A 13 -0.436 0.586 10.776 1.00 2.24 H new ATOM 0 HB VAL A 13 0.005 0.563 7.753 1.00 2.35 H new ATOM 0 HG11 VAL A 13 2.352 -0.076 8.204 1.00 62.42 H new ATOM 0 HG12 VAL A 13 1.974 1.557 8.802 1.00 62.42 H new ATOM 0 HG13 VAL A 13 2.086 0.196 9.943 1.00 62.42 H new ATOM 0 HG21 VAL A 13 0.577 -1.850 8.121 1.00 63.42 H new ATOM 0 HG22 VAL A 13 0.179 -1.669 9.846 1.00 63.42 H new ATOM 0 HG23 VAL A 13 -1.093 -1.485 8.616 1.00 63.42 H new ATOM 218 N PHE A 14 0.318 2.940 10.980 1.00 41.20 N ATOM 219 CA PHE A 14 0.768 4.329 11.213 1.00 74.32 C ATOM 220 C PHE A 14 2.250 4.500 10.793 1.00 71.43 C ATOM 221 O PHE A 14 3.100 3.679 11.147 1.00 12.20 O ATOM 222 CB PHE A 14 0.585 4.703 12.712 1.00 35.32 C ATOM 223 CG PHE A 14 0.896 6.167 13.035 1.00 74.22 C ATOM 224 CD1 PHE A 14 0.057 7.181 12.581 1.00 74.14 C ATOM 225 CD2 PHE A 14 2.019 6.531 13.782 1.00 50.52 C ATOM 226 CE1 PHE A 14 0.324 8.504 12.858 1.00 73.40 C ATOM 227 CE2 PHE A 14 2.281 7.860 14.059 1.00 43.52 C ATOM 228 CZ PHE A 14 1.435 8.844 13.598 1.00 75.11 C ATOM 0 H PHE A 14 0.462 2.330 11.785 1.00 41.20 H new ATOM 0 HA PHE A 14 0.160 4.999 10.604 1.00 74.32 H new ATOM 0 HB2 PHE A 14 -0.442 4.488 13.006 1.00 35.32 H new ATOM 0 HB3 PHE A 14 1.230 4.064 13.316 1.00 35.32 H new ATOM 0 HD1 PHE A 14 -0.818 6.926 12.002 1.00 74.14 H new ATOM 0 HD2 PHE A 14 2.689 5.767 14.147 1.00 50.52 H new ATOM 0 HE1 PHE A 14 -0.339 9.275 12.494 1.00 73.40 H new ATOM 0 HE2 PHE A 14 3.152 8.127 14.639 1.00 43.52 H new ATOM 0 HZ PHE A 14 1.642 9.881 13.816 1.00 75.11 H new ATOM 238 N VAL A 15 2.541 5.585 10.046 1.00 63.30 N ATOM 239 CA VAL A 15 3.885 5.890 9.491 1.00 40.05 C ATOM 240 C VAL A 15 4.255 7.374 9.754 1.00 60.33 C ATOM 241 O VAL A 15 3.400 8.256 9.687 1.00 42.51 O ATOM 242 CB VAL A 15 3.932 5.585 7.937 1.00 51.01 C ATOM 243 CG1 VAL A 15 5.308 5.930 7.301 1.00 70.22 C ATOM 244 CG2 VAL A 15 3.550 4.111 7.649 1.00 74.10 C ATOM 0 H VAL A 15 1.841 6.287 9.805 1.00 63.30 H new ATOM 0 HA VAL A 15 4.613 5.251 9.992 1.00 40.05 H new ATOM 0 HB VAL A 15 3.194 6.236 7.469 1.00 51.01 H new ATOM 0 HG11 VAL A 15 5.284 5.701 6.236 1.00 70.22 H new ATOM 0 HG12 VAL A 15 5.517 6.991 7.440 1.00 70.22 H new ATOM 0 HG13 VAL A 15 6.089 5.340 7.781 1.00 70.22 H new ATOM 0 HG21 VAL A 15 3.590 3.928 6.575 1.00 74.10 H new ATOM 0 HG22 VAL A 15 4.250 3.448 8.157 1.00 74.10 H new ATOM 0 HG23 VAL A 15 2.540 3.919 8.012 1.00 74.10 H new ATOM 254 N HIS A 16 5.537 7.629 10.069 1.00 32.00 N ATOM 255 CA HIS A 16 6.094 8.998 10.202 1.00 10.42 C ATOM 256 C HIS A 16 6.831 9.398 8.903 1.00 41.13 C ATOM 257 O HIS A 16 7.538 8.572 8.306 1.00 1.32 O ATOM 258 CB HIS A 16 7.071 9.069 11.402 1.00 75.44 C ATOM 259 CG HIS A 16 6.424 8.789 12.729 1.00 52.23 C ATOM 260 ND1 HIS A 16 6.449 7.551 13.333 1.00 2.40 N ATOM 261 CD2 HIS A 16 5.738 9.598 13.573 1.00 23.41 C ATOM 262 CE1 HIS A 16 5.812 7.608 14.481 1.00 40.24 C ATOM 263 NE2 HIS A 16 5.371 8.837 14.651 1.00 52.30 N ATOM 0 H HIS A 16 6.223 6.893 10.240 1.00 32.00 H new ATOM 0 HA HIS A 16 5.272 9.692 10.376 1.00 10.42 H new ATOM 0 HB2 HIS A 16 7.878 8.354 11.244 1.00 75.44 H new ATOM 0 HB3 HIS A 16 7.524 10.060 11.431 1.00 75.44 H new ATOM 0 HD2 HIS A 16 5.522 10.645 13.424 1.00 23.41 H new ATOM 0 HE1 HIS A 16 5.674 6.786 15.168 1.00 40.24 H new ATOM 0 HE2 HIS A 16 4.841 9.169 15.457 1.00 52.30 H new ATOM 272 N ALA A 17 6.675 10.661 8.478 1.00 0.30 N ATOM 273 CA ALA A 17 7.325 11.181 7.258 1.00 63.23 C ATOM 274 C ALA A 17 7.671 12.675 7.377 1.00 22.15 C ATOM 275 O ALA A 17 7.119 13.406 8.201 1.00 13.13 O ATOM 276 CB ALA A 17 6.435 10.938 6.034 1.00 33.11 C ATOM 0 H ALA A 17 6.100 11.349 8.964 1.00 0.30 H new ATOM 0 HA ALA A 17 8.262 10.638 7.135 1.00 63.23 H new ATOM 0 HB1 ALA A 17 6.928 11.327 5.143 1.00 33.11 H new ATOM 0 HB2 ALA A 17 6.263 9.868 5.916 1.00 33.11 H new ATOM 0 HB3 ALA A 17 5.480 11.446 6.172 1.00 33.11 H new ATOM 282 N ILE A 18 8.615 13.090 6.530 1.00 63.42 N ATOM 283 CA ILE A 18 9.120 14.480 6.390 1.00 20.11 C ATOM 284 C ILE A 18 9.384 14.710 4.868 1.00 24.34 C ATOM 285 O ILE A 18 9.444 13.735 4.111 1.00 2.44 O ATOM 286 CB ILE A 18 10.457 14.684 7.251 1.00 75.42 C ATOM 287 CG1 ILE A 18 10.196 14.405 8.774 1.00 51.03 C ATOM 288 CG2 ILE A 18 11.094 16.087 7.063 1.00 10.20 C ATOM 289 CD1 ILE A 18 11.430 14.443 9.662 1.00 24.25 C ATOM 0 H ILE A 18 9.077 12.446 5.888 1.00 63.42 H new ATOM 0 HA ILE A 18 8.395 15.203 6.765 1.00 20.11 H new ATOM 0 HB ILE A 18 11.174 13.956 6.872 1.00 75.42 H new ATOM 0 HG12 ILE A 18 9.480 15.139 9.143 1.00 51.03 H new ATOM 0 HG13 ILE A 18 9.728 13.426 8.872 1.00 51.03 H new ATOM 0 HG21 ILE A 18 11.995 16.162 7.672 1.00 10.20 H new ATOM 0 HG22 ILE A 18 11.352 16.232 6.014 1.00 10.20 H new ATOM 0 HG23 ILE A 18 10.383 16.854 7.371 1.00 10.20 H new ATOM 0 HD11 ILE A 18 11.143 14.238 10.693 1.00 24.25 H new ATOM 0 HD12 ILE A 18 12.143 13.689 9.327 1.00 24.25 H new ATOM 0 HD13 ILE A 18 11.891 15.429 9.603 1.00 24.25 H new ATOM 301 N THR A 19 9.516 15.975 4.408 1.00 43.05 N ATOM 302 CA THR A 19 9.916 16.294 2.995 1.00 40.41 C ATOM 303 C THR A 19 11.265 15.619 2.595 1.00 61.10 C ATOM 304 O THR A 19 11.507 15.331 1.419 1.00 42.43 O ATOM 305 CB THR A 19 10.042 17.842 2.765 1.00 12.25 C ATOM 306 OG1 THR A 19 10.986 18.404 3.697 1.00 34.02 O ATOM 307 CG2 THR A 19 8.689 18.564 2.917 1.00 20.11 C ATOM 0 H THR A 19 9.354 16.800 4.986 1.00 43.05 H new ATOM 0 HA THR A 19 9.121 15.894 2.365 1.00 40.41 H new ATOM 0 HB THR A 19 10.389 17.988 1.742 1.00 12.25 H new ATOM 0 HG1 THR A 19 11.060 19.369 3.546 1.00 34.02 H new ATOM 0 HG21 THR A 19 8.826 19.632 2.749 1.00 20.11 H new ATOM 0 HG22 THR A 19 7.982 18.170 2.187 1.00 20.11 H new ATOM 0 HG23 THR A 19 8.301 18.402 3.922 1.00 20.11 H new ATOM 315 N SER A 20 12.122 15.373 3.602 1.00 2.50 N ATOM 316 CA SER A 20 13.435 14.692 3.440 1.00 74.12 C ATOM 317 C SER A 20 13.310 13.142 3.328 1.00 61.44 C ATOM 318 O SER A 20 14.260 12.466 2.920 1.00 21.02 O ATOM 319 CB SER A 20 14.339 15.053 4.648 1.00 64.15 C ATOM 320 OG SER A 20 15.633 14.478 4.542 1.00 14.52 O ATOM 0 H SER A 20 11.927 15.642 4.566 1.00 2.50 H new ATOM 0 HA SER A 20 13.871 15.041 2.504 1.00 74.12 H new ATOM 0 HB2 SER A 20 14.430 16.137 4.720 1.00 64.15 H new ATOM 0 HB3 SER A 20 13.866 14.711 5.568 1.00 64.15 H new ATOM 0 HG SER A 20 15.612 13.742 3.896 1.00 14.52 H new ATOM 326 N GLU A 21 12.135 12.585 3.688 1.00 21.11 N ATOM 327 CA GLU A 21 11.920 11.114 3.776 1.00 2.42 C ATOM 328 C GLU A 21 11.378 10.498 2.473 1.00 34.11 C ATOM 329 O GLU A 21 10.846 11.192 1.603 1.00 14.43 O ATOM 330 CB GLU A 21 10.957 10.778 4.953 1.00 23.31 C ATOM 331 CG GLU A 21 11.456 11.244 6.333 1.00 52.41 C ATOM 332 CD GLU A 21 12.854 10.720 6.684 1.00 13.33 C ATOM 333 OE1 GLU A 21 12.971 9.539 7.083 1.00 64.11 O ATOM 334 OE2 GLU A 21 13.841 11.479 6.550 1.00 44.32 O ATOM 0 H GLU A 21 11.309 13.134 3.926 1.00 21.11 H new ATOM 0 HA GLU A 21 12.901 10.672 3.954 1.00 2.42 H new ATOM 0 HB2 GLU A 21 9.988 11.237 4.756 1.00 23.31 H new ATOM 0 HB3 GLU A 21 10.800 9.700 4.982 1.00 23.31 H new ATOM 0 HG2 GLU A 21 11.468 12.334 6.358 1.00 52.41 H new ATOM 0 HG3 GLU A 21 10.751 10.915 7.096 1.00 52.41 H new ATOM 341 N CYS A 22 11.538 9.167 2.376 1.00 23.32 N ATOM 342 CA CYS A 22 10.989 8.334 1.294 1.00 34.23 C ATOM 343 C CYS A 22 10.084 7.239 1.907 1.00 20.33 C ATOM 344 O CYS A 22 10.569 6.337 2.604 1.00 31.11 O ATOM 345 CB CYS A 22 12.146 7.710 0.473 1.00 55.22 C ATOM 346 SG CYS A 22 13.319 6.730 1.441 1.00 63.42 S ATOM 0 H CYS A 22 12.065 8.629 3.064 1.00 23.32 H new ATOM 0 HA CYS A 22 10.389 8.945 0.619 1.00 34.23 H new ATOM 0 HB2 CYS A 22 11.720 7.077 -0.305 1.00 55.22 H new ATOM 0 HB3 CYS A 22 12.690 8.510 -0.029 1.00 55.22 H new ATOM 0 HG CYS A 22 12.685 6.108 2.391 1.00 63.42 H new ATOM 352 N VAL A 23 8.760 7.349 1.679 1.00 71.11 N ATOM 353 CA VAL A 23 7.756 6.411 2.246 1.00 73.13 C ATOM 354 C VAL A 23 7.360 5.330 1.214 1.00 40.24 C ATOM 355 O VAL A 23 6.835 5.637 0.143 1.00 53.24 O ATOM 356 CB VAL A 23 6.481 7.188 2.755 1.00 45.22 C ATOM 357 CG1 VAL A 23 5.366 6.237 3.268 1.00 61.45 C ATOM 358 CG2 VAL A 23 6.886 8.198 3.849 1.00 2.53 C ATOM 0 H VAL A 23 8.353 8.084 1.101 1.00 71.11 H new ATOM 0 HA VAL A 23 8.213 5.912 3.100 1.00 73.13 H new ATOM 0 HB VAL A 23 6.062 7.723 1.903 1.00 45.22 H new ATOM 0 HG11 VAL A 23 4.513 6.825 3.606 1.00 61.45 H new ATOM 0 HG12 VAL A 23 5.053 5.574 2.461 1.00 61.45 H new ATOM 0 HG13 VAL A 23 5.748 5.643 4.098 1.00 61.45 H new ATOM 0 HG21 VAL A 23 6.002 8.732 4.197 1.00 2.53 H new ATOM 0 HG22 VAL A 23 7.341 7.666 4.685 1.00 2.53 H new ATOM 0 HG23 VAL A 23 7.602 8.910 3.439 1.00 2.53 H new ATOM 368 N MET A 24 7.614 4.057 1.567 1.00 70.23 N ATOM 369 CA MET A 24 7.330 2.899 0.698 1.00 21.10 C ATOM 370 C MET A 24 6.301 1.973 1.403 1.00 73.41 C ATOM 371 O MET A 24 6.668 1.090 2.188 1.00 52.32 O ATOM 372 CB MET A 24 8.675 2.173 0.381 1.00 64.23 C ATOM 373 CG MET A 24 8.631 1.124 -0.738 1.00 12.35 C ATOM 374 SD MET A 24 10.279 0.445 -1.067 1.00 25.25 S ATOM 375 CE MET A 24 10.034 -0.509 -2.564 1.00 35.44 C ATOM 0 H MET A 24 8.023 3.801 2.466 1.00 70.23 H new ATOM 0 HA MET A 24 6.888 3.210 -0.249 1.00 21.10 H new ATOM 0 HB2 MET A 24 9.417 2.926 0.115 1.00 64.23 H new ATOM 0 HB3 MET A 24 9.025 1.688 1.292 1.00 64.23 H new ATOM 0 HG2 MET A 24 7.952 0.318 -0.458 1.00 12.35 H new ATOM 0 HG3 MET A 24 8.233 1.575 -1.647 1.00 12.35 H new ATOM 0 HE1 MET A 24 10.996 -0.687 -3.044 1.00 35.44 H new ATOM 0 HE2 MET A 24 9.571 -1.464 -2.315 1.00 35.44 H new ATOM 0 HE3 MET A 24 9.385 0.042 -3.245 1.00 35.44 H new ATOM 385 N LEU A 25 5.005 2.234 1.141 1.00 10.20 N ATOM 386 CA LEU A 25 3.872 1.465 1.720 1.00 11.24 C ATOM 387 C LEU A 25 3.548 0.235 0.863 1.00 54.41 C ATOM 388 O LEU A 25 3.799 0.246 -0.330 1.00 35.42 O ATOM 389 CB LEU A 25 2.618 2.370 1.829 1.00 20.14 C ATOM 390 CG LEU A 25 2.755 3.593 2.777 1.00 12.32 C ATOM 391 CD1 LEU A 25 1.475 4.450 2.775 1.00 21.53 C ATOM 392 CD2 LEU A 25 3.128 3.139 4.206 1.00 1.12 C ATOM 0 H LEU A 25 4.707 2.986 0.520 1.00 10.20 H new ATOM 0 HA LEU A 25 4.164 1.126 2.714 1.00 11.24 H new ATOM 0 HB2 LEU A 25 2.365 2.732 0.832 1.00 20.14 H new ATOM 0 HB3 LEU A 25 1.781 1.761 2.169 1.00 20.14 H new ATOM 0 HG LEU A 25 3.564 4.220 2.403 1.00 12.32 H new ATOM 0 HD11 LEU A 25 1.604 5.298 3.448 1.00 21.53 H new ATOM 0 HD12 LEU A 25 1.283 4.814 1.766 1.00 21.53 H new ATOM 0 HD13 LEU A 25 0.632 3.846 3.110 1.00 21.53 H new ATOM 0 HD21 LEU A 25 3.219 4.012 4.853 1.00 1.12 H new ATOM 0 HD22 LEU A 25 2.351 2.480 4.593 1.00 1.12 H new ATOM 0 HD23 LEU A 25 4.078 2.605 4.182 1.00 1.12 H new ATOM 404 N ALA A 26 2.955 -0.805 1.474 1.00 51.12 N ATOM 405 CA ALA A 26 2.601 -2.058 0.766 1.00 14.15 C ATOM 406 C ALA A 26 1.226 -2.603 1.211 1.00 13.25 C ATOM 407 O ALA A 26 0.882 -2.560 2.389 1.00 64.12 O ATOM 408 CB ALA A 26 3.699 -3.111 0.978 1.00 63.20 C ATOM 0 H ALA A 26 2.707 -0.807 2.463 1.00 51.12 H new ATOM 0 HA ALA A 26 2.526 -1.831 -0.297 1.00 14.15 H new ATOM 0 HB1 ALA A 26 3.430 -4.028 0.454 1.00 63.20 H new ATOM 0 HB2 ALA A 26 4.645 -2.734 0.588 1.00 63.20 H new ATOM 0 HB3 ALA A 26 3.803 -3.319 2.043 1.00 63.20 H new ATOM 414 N CYS A 27 0.452 -3.096 0.235 1.00 31.43 N ATOM 415 CA CYS A 27 -0.820 -3.814 0.464 1.00 63.01 C ATOM 416 C CYS A 27 -0.806 -5.126 -0.337 1.00 34.21 C ATOM 417 O CYS A 27 -0.695 -5.118 -1.574 1.00 12.11 O ATOM 418 CB CYS A 27 -2.030 -2.952 0.054 1.00 15.13 C ATOM 419 SG CYS A 27 -3.637 -3.749 0.298 1.00 55.34 S ATOM 0 H CYS A 27 0.691 -3.009 -0.753 1.00 31.43 H new ATOM 0 HA CYS A 27 -0.915 -4.030 1.528 1.00 63.01 H new ATOM 0 HB2 CYS A 27 -2.009 -2.024 0.625 1.00 15.13 H new ATOM 0 HB3 CYS A 27 -1.928 -2.682 -0.997 1.00 15.13 H new ATOM 0 HG CYS A 27 -4.532 -2.847 0.571 1.00 55.34 H new ATOM 425 N GLU A 28 -0.924 -6.249 0.375 1.00 53.13 N ATOM 426 CA GLU A 28 -0.737 -7.594 -0.189 1.00 73.33 C ATOM 427 C GLU A 28 -1.977 -8.466 0.077 1.00 55.33 C ATOM 428 O GLU A 28 -2.455 -8.565 1.217 1.00 10.23 O ATOM 429 CB GLU A 28 0.521 -8.255 0.432 1.00 45.24 C ATOM 430 CG GLU A 28 0.872 -9.636 -0.159 1.00 14.22 C ATOM 431 CD GLU A 28 2.065 -10.292 0.555 1.00 31.23 C ATOM 432 OE1 GLU A 28 3.200 -9.778 0.427 1.00 24.23 O ATOM 433 OE2 GLU A 28 1.879 -11.307 1.259 1.00 4.23 O ATOM 0 H GLU A 28 -1.154 -6.254 1.369 1.00 53.13 H new ATOM 0 HA GLU A 28 -0.600 -7.506 -1.267 1.00 73.33 H new ATOM 0 HB2 GLU A 28 1.372 -7.588 0.295 1.00 45.24 H new ATOM 0 HB3 GLU A 28 0.368 -8.361 1.506 1.00 45.24 H new ATOM 0 HG2 GLU A 28 0.004 -10.291 -0.086 1.00 14.22 H new ATOM 0 HG3 GLU A 28 1.101 -9.527 -1.219 1.00 14.22 H new ATOM 440 N VAL A 29 -2.488 -9.091 -0.989 1.00 63.43 N ATOM 441 CA VAL A 29 -3.591 -10.070 -0.922 1.00 72.54 C ATOM 442 C VAL A 29 -3.067 -11.481 -1.269 1.00 32.11 C ATOM 443 O VAL A 29 -1.984 -11.634 -1.840 1.00 64.14 O ATOM 444 CB VAL A 29 -4.772 -9.678 -1.896 1.00 4.02 C ATOM 445 CG1 VAL A 29 -5.475 -8.387 -1.413 1.00 73.03 C ATOM 446 CG2 VAL A 29 -4.279 -9.531 -3.365 1.00 14.31 C ATOM 0 H VAL A 29 -2.147 -8.933 -1.937 1.00 63.43 H new ATOM 0 HA VAL A 29 -3.980 -10.067 0.096 1.00 72.54 H new ATOM 0 HB VAL A 29 -5.499 -10.490 -1.878 1.00 4.02 H new ATOM 0 HG11 VAL A 29 -6.285 -8.135 -2.098 1.00 73.03 H new ATOM 0 HG12 VAL A 29 -5.881 -8.546 -0.414 1.00 73.03 H new ATOM 0 HG13 VAL A 29 -4.755 -7.569 -1.386 1.00 73.03 H new ATOM 0 HG21 VAL A 29 -5.119 -9.261 -4.005 1.00 14.31 H new ATOM 0 HG22 VAL A 29 -3.518 -8.753 -3.417 1.00 14.31 H new ATOM 0 HG23 VAL A 29 -3.855 -10.477 -3.703 1.00 14.31 H new ATOM 456 N ASP A 30 -3.836 -12.511 -0.897 1.00 43.24 N ATOM 457 CA ASP A 30 -3.547 -13.904 -1.301 1.00 42.32 C ATOM 458 C ASP A 30 -4.251 -14.241 -2.647 1.00 74.23 C ATOM 459 O ASP A 30 -3.985 -15.280 -3.263 1.00 72.23 O ATOM 460 CB ASP A 30 -3.990 -14.868 -0.167 1.00 54.23 C ATOM 461 CG ASP A 30 -3.470 -16.304 -0.349 1.00 30.14 C ATOM 462 OD1 ASP A 30 -2.243 -16.515 -0.239 1.00 13.04 O ATOM 463 OD2 ASP A 30 -4.269 -17.225 -0.603 1.00 41.42 O ATOM 0 H ASP A 30 -4.668 -12.412 -0.315 1.00 43.24 H new ATOM 0 HA ASP A 30 -2.475 -14.024 -1.460 1.00 42.32 H new ATOM 0 HB2 ASP A 30 -3.637 -14.480 0.788 1.00 54.23 H new ATOM 0 HB3 ASP A 30 -5.079 -14.887 -0.121 1.00 54.23 H new ATOM 468 N ARG A 31 -5.129 -13.325 -3.117 1.00 11.34 N ATOM 469 CA ARG A 31 -5.995 -13.551 -4.290 1.00 23.10 C ATOM 470 C ARG A 31 -5.619 -12.530 -5.409 1.00 21.52 C ATOM 471 O ARG A 31 -6.169 -11.426 -5.464 1.00 64.14 O ATOM 472 CB ARG A 31 -7.485 -13.441 -3.808 1.00 52.35 C ATOM 473 CG ARG A 31 -8.545 -14.285 -4.562 1.00 54.31 C ATOM 474 CD ARG A 31 -8.852 -13.786 -5.978 1.00 74.32 C ATOM 475 NE ARG A 31 -9.998 -14.494 -6.578 1.00 3.04 N ATOM 476 CZ ARG A 31 -9.942 -15.581 -7.318 1.00 22.14 C ATOM 477 NH1 ARG A 31 -8.826 -16.188 -7.554 1.00 1.24 N ATOM 478 NH2 ARG A 31 -11.029 -16.065 -7.806 1.00 73.52 N ATOM 0 H ARG A 31 -5.255 -12.407 -2.690 1.00 11.34 H new ATOM 0 HA ARG A 31 -5.858 -14.541 -4.725 1.00 23.10 H new ATOM 0 HB2 ARG A 31 -7.519 -13.720 -2.755 1.00 52.35 H new ATOM 0 HB3 ARG A 31 -7.782 -12.394 -3.870 1.00 52.35 H new ATOM 0 HG2 ARG A 31 -8.198 -15.317 -4.619 1.00 54.31 H new ATOM 0 HG3 ARG A 31 -9.468 -14.291 -3.982 1.00 54.31 H new ATOM 0 HD2 ARG A 31 -9.062 -12.717 -5.948 1.00 74.32 H new ATOM 0 HD3 ARG A 31 -7.973 -13.920 -6.608 1.00 74.32 H new ATOM 0 HE ARG A 31 -10.924 -14.103 -6.403 1.00 3.04 H new ATOM 0 HH11 ARG A 31 -7.956 -15.827 -7.163 1.00 1.24 H new ATOM 0 HH12 ARG A 31 -8.815 -17.029 -8.132 1.00 1.24 H new ATOM 0 HH21 ARG A 31 -11.921 -15.607 -7.618 1.00 73.52 H new ATOM 0 HH22 ARG A 31 -10.999 -16.907 -8.381 1.00 73.52 H new ATOM 492 N GLU A 32 -4.643 -12.924 -6.263 1.00 42.03 N ATOM 493 CA GLU A 32 -4.082 -12.084 -7.370 1.00 11.32 C ATOM 494 C GLU A 32 -5.174 -11.623 -8.366 1.00 51.24 C ATOM 495 O GLU A 32 -5.184 -10.457 -8.784 1.00 2.31 O ATOM 496 CB GLU A 32 -2.959 -12.892 -8.104 1.00 25.22 C ATOM 497 CG GLU A 32 -2.517 -12.378 -9.505 1.00 11.44 C ATOM 498 CD GLU A 32 -1.959 -10.939 -9.524 1.00 52.13 C ATOM 499 OE1 GLU A 32 -0.926 -10.695 -8.882 1.00 32.02 O ATOM 500 OE2 GLU A 32 -2.537 -10.060 -10.210 1.00 11.03 O ATOM 0 H GLU A 32 -4.211 -13.847 -6.208 1.00 42.03 H new ATOM 0 HA GLU A 32 -3.660 -11.178 -6.936 1.00 11.32 H new ATOM 0 HB2 GLU A 32 -2.081 -12.913 -7.459 1.00 25.22 H new ATOM 0 HB3 GLU A 32 -3.299 -13.922 -8.213 1.00 25.22 H new ATOM 0 HG2 GLU A 32 -1.757 -13.052 -9.900 1.00 11.44 H new ATOM 0 HG3 GLU A 32 -3.371 -12.430 -10.181 1.00 11.44 H new ATOM 507 N ASP A 33 -6.088 -12.551 -8.713 1.00 12.23 N ATOM 508 CA ASP A 33 -7.239 -12.309 -9.633 1.00 32.33 C ATOM 509 C ASP A 33 -8.036 -11.003 -9.287 1.00 3.22 C ATOM 510 O ASP A 33 -8.647 -10.382 -10.165 1.00 43.11 O ATOM 511 CB ASP A 33 -8.148 -13.559 -9.583 1.00 44.44 C ATOM 512 CG ASP A 33 -9.384 -13.500 -10.498 1.00 32.31 C ATOM 513 OD1 ASP A 33 -9.254 -13.789 -11.704 1.00 23.31 O ATOM 514 OD2 ASP A 33 -10.492 -13.200 -10.007 1.00 41.32 O ATOM 0 H ASP A 33 -6.055 -13.508 -8.361 1.00 12.23 H new ATOM 0 HA ASP A 33 -6.861 -12.149 -10.643 1.00 32.33 H new ATOM 0 HB2 ASP A 33 -7.555 -14.432 -9.854 1.00 44.44 H new ATOM 0 HB3 ASP A 33 -8.481 -13.707 -8.556 1.00 44.44 H new ATOM 519 N ALA A 34 -7.990 -10.596 -8.007 1.00 72.22 N ATOM 520 CA ALA A 34 -8.527 -9.306 -7.528 1.00 15.34 C ATOM 521 C ALA A 34 -7.364 -8.381 -7.050 1.00 11.33 C ATOM 522 O ALA A 34 -6.942 -8.459 -5.886 1.00 12.23 O ATOM 523 CB ALA A 34 -9.532 -9.571 -6.401 1.00 2.31 C ATOM 0 H ALA A 34 -7.574 -11.159 -7.265 1.00 72.22 H new ATOM 0 HA ALA A 34 -9.040 -8.792 -8.341 1.00 15.34 H new ATOM 0 HB1 ALA A 34 -9.934 -8.624 -6.041 1.00 2.31 H new ATOM 0 HB2 ALA A 34 -10.346 -10.191 -6.778 1.00 2.31 H new ATOM 0 HB3 ALA A 34 -9.032 -10.088 -5.582 1.00 2.31 H new ATOM 529 N PRO A 35 -6.787 -7.518 -7.958 1.00 35.10 N ATOM 530 CA PRO A 35 -5.677 -6.590 -7.598 1.00 40.34 C ATOM 531 C PRO A 35 -6.168 -5.367 -6.768 1.00 62.45 C ATOM 532 O PRO A 35 -7.306 -4.908 -6.934 1.00 64.53 O ATOM 533 CB PRO A 35 -5.124 -6.166 -8.985 1.00 32.15 C ATOM 534 CG PRO A 35 -6.318 -6.220 -9.891 1.00 53.45 C ATOM 535 CD PRO A 35 -7.156 -7.387 -9.399 1.00 5.21 C ATOM 0 HA PRO A 35 -4.928 -7.054 -6.957 1.00 40.34 H new ATOM 0 HB2 PRO A 35 -4.694 -5.165 -8.953 1.00 32.15 H new ATOM 0 HB3 PRO A 35 -4.337 -6.840 -9.323 1.00 32.15 H new ATOM 0 HG2 PRO A 35 -6.882 -5.288 -9.851 1.00 53.45 H new ATOM 0 HG3 PRO A 35 -6.016 -6.365 -10.928 1.00 53.45 H new ATOM 0 HD2 PRO A 35 -8.221 -7.192 -9.522 1.00 5.21 H new ATOM 0 HD3 PRO A 35 -6.933 -8.299 -9.952 1.00 5.21 H new ATOM 543 N VAL A 36 -5.304 -4.845 -5.873 1.00 42.32 N ATOM 544 CA VAL A 36 -5.662 -3.703 -4.995 1.00 33.03 C ATOM 545 C VAL A 36 -5.463 -2.344 -5.728 1.00 31.04 C ATOM 546 O VAL A 36 -4.715 -2.256 -6.713 1.00 20.33 O ATOM 547 CB VAL A 36 -4.856 -3.724 -3.629 1.00 5.50 C ATOM 548 CG1 VAL A 36 -4.778 -5.155 -3.039 1.00 44.33 C ATOM 549 CG2 VAL A 36 -3.449 -3.109 -3.772 1.00 4.53 C ATOM 0 H VAL A 36 -4.355 -5.193 -5.737 1.00 42.32 H new ATOM 0 HA VAL A 36 -6.719 -3.812 -4.753 1.00 33.03 H new ATOM 0 HB VAL A 36 -5.411 -3.100 -2.929 1.00 5.50 H new ATOM 0 HG11 VAL A 36 -4.219 -5.133 -2.103 1.00 44.33 H new ATOM 0 HG12 VAL A 36 -5.785 -5.527 -2.851 1.00 44.33 H new ATOM 0 HG13 VAL A 36 -4.275 -5.813 -3.747 1.00 44.33 H new ATOM 0 HG21 VAL A 36 -2.936 -3.146 -2.811 1.00 4.53 H new ATOM 0 HG22 VAL A 36 -2.878 -3.673 -4.510 1.00 4.53 H new ATOM 0 HG23 VAL A 36 -3.536 -2.072 -4.097 1.00 4.53 H new ATOM 559 N ARG A 37 -6.150 -1.300 -5.233 1.00 51.33 N ATOM 560 CA ARG A 37 -6.084 0.076 -5.784 1.00 52.41 C ATOM 561 C ARG A 37 -5.813 1.091 -4.653 1.00 63.23 C ATOM 562 O ARG A 37 -6.527 1.105 -3.654 1.00 41.35 O ATOM 563 CB ARG A 37 -7.411 0.427 -6.510 1.00 73.05 C ATOM 564 CG ARG A 37 -7.675 -0.401 -7.787 1.00 34.34 C ATOM 565 CD ARG A 37 -9.079 -0.172 -8.367 1.00 63.24 C ATOM 566 NE ARG A 37 -10.122 -0.713 -7.479 1.00 40.45 N ATOM 567 CZ ARG A 37 -11.358 -0.284 -7.390 1.00 4.55 C ATOM 568 NH1 ARG A 37 -11.761 0.761 -8.039 1.00 34.11 N ATOM 569 NH2 ARG A 37 -12.189 -0.903 -6.627 1.00 12.42 N ATOM 0 H ARG A 37 -6.775 -1.383 -4.431 1.00 51.33 H new ATOM 0 HA ARG A 37 -5.266 0.126 -6.503 1.00 52.41 H new ATOM 0 HB2 ARG A 37 -8.240 0.280 -5.818 1.00 73.05 H new ATOM 0 HB3 ARG A 37 -7.399 1.485 -6.773 1.00 73.05 H new ATOM 0 HG2 ARG A 37 -6.930 -0.146 -8.540 1.00 34.34 H new ATOM 0 HG3 ARG A 37 -7.549 -1.460 -7.560 1.00 34.34 H new ATOM 0 HD2 ARG A 37 -9.243 0.895 -8.516 1.00 63.24 H new ATOM 0 HD3 ARG A 37 -9.151 -0.645 -9.346 1.00 63.24 H new ATOM 0 HE ARG A 37 -9.859 -1.494 -6.878 1.00 40.45 H new ATOM 0 HH11 ARG A 37 -11.112 1.272 -8.637 1.00 34.11 H new ATOM 0 HH12 ARG A 37 -12.728 1.074 -7.952 1.00 34.11 H new ATOM 0 HH21 ARG A 37 -11.884 -1.720 -6.098 1.00 12.42 H new ATOM 0 HH22 ARG A 37 -13.152 -0.577 -6.551 1.00 12.42 H new ATOM 583 N TRP A 38 -4.795 1.944 -4.839 1.00 55.22 N ATOM 584 CA TRP A 38 -4.400 2.970 -3.850 1.00 21.11 C ATOM 585 C TRP A 38 -5.208 4.272 -4.057 1.00 3.44 C ATOM 586 O TRP A 38 -5.512 4.649 -5.186 1.00 75.04 O ATOM 587 CB TRP A 38 -2.882 3.260 -3.973 1.00 11.14 C ATOM 588 CG TRP A 38 -2.002 2.100 -3.557 1.00 73.41 C ATOM 589 CD1 TRP A 38 -1.551 1.064 -4.338 1.00 3.24 C ATOM 590 CD2 TRP A 38 -1.479 1.864 -2.244 1.00 63.04 C ATOM 591 NE1 TRP A 38 -0.779 0.211 -3.583 1.00 14.30 N ATOM 592 CE2 TRP A 38 -0.720 0.682 -2.298 1.00 61.02 C ATOM 593 CE3 TRP A 38 -1.573 2.552 -1.032 1.00 25.12 C ATOM 594 CZ2 TRP A 38 -0.066 0.169 -1.184 1.00 51.44 C ATOM 595 CZ3 TRP A 38 -0.926 2.040 0.074 1.00 71.21 C ATOM 596 CH2 TRP A 38 -0.180 0.857 -0.010 1.00 3.15 C ATOM 0 H TRP A 38 -4.218 1.946 -5.680 1.00 55.22 H new ATOM 0 HA TRP A 38 -4.615 2.590 -2.851 1.00 21.11 H new ATOM 0 HB2 TRP A 38 -2.655 3.524 -5.006 1.00 11.14 H new ATOM 0 HB3 TRP A 38 -2.637 4.128 -3.361 1.00 11.14 H new ATOM 0 HD1 TRP A 38 -1.770 0.938 -5.388 1.00 3.24 H new ATOM 0 HE1 TRP A 38 -0.324 -0.635 -3.925 1.00 14.30 H new ATOM 0 HE3 TRP A 38 -2.141 3.468 -0.962 1.00 25.12 H new ATOM 0 HZ2 TRP A 38 0.512 -0.741 -1.245 1.00 51.44 H new ATOM 0 HZ3 TRP A 38 -0.996 2.559 1.019 1.00 71.21 H new ATOM 0 HH2 TRP A 38 0.316 0.481 0.873 1.00 3.15 H new ATOM 607 N TYR A 39 -5.570 4.930 -2.945 1.00 30.42 N ATOM 608 CA TYR A 39 -6.323 6.212 -2.932 1.00 13.41 C ATOM 609 C TYR A 39 -5.694 7.168 -1.898 1.00 4.35 C ATOM 610 O TYR A 39 -5.346 6.738 -0.801 1.00 74.04 O ATOM 611 CB TYR A 39 -7.824 5.974 -2.589 1.00 3.12 C ATOM 612 CG TYR A 39 -8.568 5.138 -3.633 1.00 44.31 C ATOM 613 CD1 TYR A 39 -9.111 5.734 -4.774 1.00 11.43 C ATOM 614 CD2 TYR A 39 -8.695 3.750 -3.507 1.00 32.24 C ATOM 615 CE1 TYR A 39 -9.752 4.982 -5.736 1.00 41.40 C ATOM 616 CE2 TYR A 39 -9.332 3.000 -4.474 1.00 4.34 C ATOM 617 CZ TYR A 39 -9.857 3.619 -5.583 1.00 22.52 C ATOM 618 OH TYR A 39 -10.491 2.871 -6.548 1.00 70.50 O ATOM 0 H TYR A 39 -5.348 4.588 -2.010 1.00 30.42 H new ATOM 0 HA TYR A 39 -6.268 6.657 -3.925 1.00 13.41 H new ATOM 0 HB2 TYR A 39 -7.892 5.476 -1.622 1.00 3.12 H new ATOM 0 HB3 TYR A 39 -8.322 6.938 -2.487 1.00 3.12 H new ATOM 0 HD1 TYR A 39 -9.027 6.803 -4.905 1.00 11.43 H new ATOM 0 HD2 TYR A 39 -8.287 3.257 -2.637 1.00 32.24 H new ATOM 0 HE1 TYR A 39 -10.171 5.462 -6.608 1.00 41.40 H new ATOM 0 HE2 TYR A 39 -9.418 1.929 -4.360 1.00 4.34 H new ATOM 0 HH TYR A 39 -9.922 2.115 -6.803 1.00 70.50 H new ATOM 628 N LYS A 40 -5.551 8.456 -2.257 1.00 50.31 N ATOM 629 CA LYS A 40 -4.940 9.478 -1.367 1.00 51.21 C ATOM 630 C LYS A 40 -5.348 10.898 -1.847 1.00 51.13 C ATOM 631 O LYS A 40 -5.331 11.174 -3.051 1.00 2.53 O ATOM 632 CB LYS A 40 -3.384 9.272 -1.316 1.00 34.04 C ATOM 633 CG LYS A 40 -2.629 9.982 -0.152 1.00 21.04 C ATOM 634 CD LYS A 40 -2.170 11.417 -0.487 1.00 5.23 C ATOM 635 CE LYS A 40 -1.058 11.458 -1.551 1.00 14.34 C ATOM 636 NZ LYS A 40 -0.821 12.839 -2.035 1.00 70.44 N ATOM 0 H LYS A 40 -5.850 8.822 -3.161 1.00 50.31 H new ATOM 0 HA LYS A 40 -5.309 9.367 -0.348 1.00 51.21 H new ATOM 0 HB2 LYS A 40 -3.183 8.203 -1.252 1.00 34.04 H new ATOM 0 HB3 LYS A 40 -2.962 9.620 -2.259 1.00 34.04 H new ATOM 0 HG2 LYS A 40 -3.278 10.014 0.723 1.00 21.04 H new ATOM 0 HG3 LYS A 40 -1.757 9.386 0.119 1.00 21.04 H new ATOM 0 HD2 LYS A 40 -3.025 11.993 -0.840 1.00 5.23 H new ATOM 0 HD3 LYS A 40 -1.814 11.901 0.423 1.00 5.23 H new ATOM 0 HE2 LYS A 40 -0.136 11.055 -1.131 1.00 14.34 H new ATOM 0 HE3 LYS A 40 -1.332 10.819 -2.390 1.00 14.34 H new ATOM 0 HZ1 LYS A 40 -0.032 12.839 -2.713 1.00 70.44 H new ATOM 0 HZ2 LYS A 40 -1.679 13.195 -2.502 1.00 70.44 H new ATOM 0 HZ3 LYS A 40 -0.585 13.453 -1.230 1.00 70.44 H new ATOM 650 N ASP A 41 -5.738 11.768 -0.885 1.00 3.04 N ATOM 651 CA ASP A 41 -6.363 13.105 -1.142 1.00 4.52 C ATOM 652 C ASP A 41 -7.743 12.993 -1.853 1.00 3.32 C ATOM 653 O ASP A 41 -8.249 13.978 -2.409 1.00 74.40 O ATOM 654 CB ASP A 41 -5.416 14.062 -1.936 1.00 21.23 C ATOM 655 CG ASP A 41 -4.103 14.387 -1.208 1.00 44.55 C ATOM 656 OD1 ASP A 41 -4.106 14.486 0.038 1.00 44.22 O ATOM 657 OD2 ASP A 41 -3.062 14.550 -1.883 1.00 51.41 O ATOM 0 H ASP A 41 -5.629 11.566 0.109 1.00 3.04 H new ATOM 0 HA ASP A 41 -6.532 13.542 -0.158 1.00 4.52 H new ATOM 0 HB2 ASP A 41 -5.183 13.609 -2.899 1.00 21.23 H new ATOM 0 HB3 ASP A 41 -5.946 14.992 -2.141 1.00 21.23 H new ATOM 662 N GLY A 42 -8.363 11.796 -1.785 1.00 72.25 N ATOM 663 CA GLY A 42 -9.606 11.508 -2.526 1.00 44.14 C ATOM 664 C GLY A 42 -9.375 11.143 -4.007 1.00 71.40 C ATOM 665 O GLY A 42 -10.330 10.857 -4.736 1.00 43.52 O ATOM 0 H GLY A 42 -8.022 11.015 -1.225 1.00 72.25 H new ATOM 0 HA2 GLY A 42 -10.129 10.687 -2.036 1.00 44.14 H new ATOM 0 HA3 GLY A 42 -10.260 12.378 -2.473 1.00 44.14 H new ATOM 669 N GLN A 43 -8.098 11.162 -4.445 1.00 75.51 N ATOM 670 CA GLN A 43 -7.700 10.846 -5.835 1.00 71.34 C ATOM 671 C GLN A 43 -7.394 9.339 -5.985 1.00 12.11 C ATOM 672 O GLN A 43 -7.040 8.669 -5.010 1.00 51.01 O ATOM 673 CB GLN A 43 -6.459 11.686 -6.245 1.00 2.11 C ATOM 674 CG GLN A 43 -6.643 13.214 -6.107 1.00 12.42 C ATOM 675 CD GLN A 43 -5.442 14.035 -6.598 1.00 34.13 C ATOM 676 OE1 GLN A 43 -4.301 13.591 -6.545 1.00 14.51 O ATOM 677 NE2 GLN A 43 -5.683 15.240 -7.076 1.00 25.22 N ATOM 0 H GLN A 43 -7.310 11.398 -3.842 1.00 75.51 H new ATOM 0 HA GLN A 43 -8.530 11.098 -6.495 1.00 71.34 H new ATOM 0 HB2 GLN A 43 -5.610 11.379 -5.634 1.00 2.11 H new ATOM 0 HB3 GLN A 43 -6.206 11.456 -7.280 1.00 2.11 H new ATOM 0 HG2 GLN A 43 -7.529 13.515 -6.667 1.00 12.42 H new ATOM 0 HG3 GLN A 43 -6.830 13.454 -5.060 1.00 12.42 H new ATOM 0 HE21 GLN A 43 -6.640 15.592 -7.112 1.00 25.22 H new ATOM 0 HE22 GLN A 43 -4.913 15.820 -7.410 1.00 25.22 H new ATOM 686 N GLU A 44 -7.505 8.831 -7.229 1.00 24.35 N ATOM 687 CA GLU A 44 -7.273 7.402 -7.552 1.00 71.33 C ATOM 688 C GLU A 44 -5.779 6.992 -7.518 1.00 2.11 C ATOM 689 O GLU A 44 -5.483 5.809 -7.659 1.00 71.51 O ATOM 690 CB GLU A 44 -7.867 7.070 -8.947 1.00 54.30 C ATOM 691 CG GLU A 44 -7.229 7.839 -10.129 1.00 34.34 C ATOM 692 CD GLU A 44 -7.769 7.400 -11.500 1.00 72.44 C ATOM 693 OE1 GLU A 44 -8.900 7.790 -11.857 1.00 25.21 O ATOM 694 OE2 GLU A 44 -7.068 6.664 -12.225 1.00 24.45 O ATOM 0 H GLU A 44 -7.758 9.396 -8.040 1.00 24.35 H new ATOM 0 HA GLU A 44 -7.775 6.829 -6.773 1.00 71.33 H new ATOM 0 HB2 GLU A 44 -7.757 6.001 -9.127 1.00 54.30 H new ATOM 0 HB3 GLU A 44 -8.936 7.282 -8.930 1.00 54.30 H new ATOM 0 HG2 GLU A 44 -7.410 8.906 -9.999 1.00 34.34 H new ATOM 0 HG3 GLU A 44 -6.149 7.694 -10.108 1.00 34.34 H new ATOM 701 N VAL A 45 -4.861 7.977 -7.365 1.00 35.25 N ATOM 702 CA VAL A 45 -3.393 7.753 -7.354 1.00 72.23 C ATOM 703 C VAL A 45 -2.877 7.205 -8.716 1.00 63.35 C ATOM 704 O VAL A 45 -2.993 6.005 -9.024 1.00 74.20 O ATOM 705 CB VAL A 45 -2.921 6.836 -6.152 1.00 42.02 C ATOM 706 CG1 VAL A 45 -1.414 6.478 -6.242 1.00 31.34 C ATOM 707 CG2 VAL A 45 -3.250 7.507 -4.794 1.00 2.31 C ATOM 0 H VAL A 45 -5.119 8.956 -7.245 1.00 35.25 H new ATOM 0 HA VAL A 45 -2.942 8.733 -7.199 1.00 72.23 H new ATOM 0 HB VAL A 45 -3.474 5.899 -6.223 1.00 42.02 H new ATOM 0 HG11 VAL A 45 -1.138 5.848 -5.396 1.00 31.34 H new ATOM 0 HG12 VAL A 45 -1.222 5.942 -7.171 1.00 31.34 H new ATOM 0 HG13 VAL A 45 -0.821 7.392 -6.222 1.00 31.34 H new ATOM 0 HG21 VAL A 45 -2.918 6.862 -3.980 1.00 2.31 H new ATOM 0 HG22 VAL A 45 -2.737 8.467 -4.729 1.00 2.31 H new ATOM 0 HG23 VAL A 45 -4.326 7.664 -4.717 1.00 2.31 H new ATOM 717 N GLU A 46 -2.321 8.109 -9.528 1.00 32.34 N ATOM 718 CA GLU A 46 -1.710 7.779 -10.835 1.00 32.04 C ATOM 719 C GLU A 46 -0.193 8.076 -10.805 1.00 21.40 C ATOM 720 O GLU A 46 0.268 8.939 -10.036 1.00 10.22 O ATOM 721 CB GLU A 46 -2.422 8.575 -11.962 1.00 61.23 C ATOM 722 CG GLU A 46 -2.398 10.109 -11.784 1.00 65.42 C ATOM 723 CD GLU A 46 -3.230 10.852 -12.837 1.00 74.41 C ATOM 724 OE1 GLU A 46 -4.453 11.028 -12.632 1.00 72.40 O ATOM 725 OE2 GLU A 46 -2.672 11.244 -13.885 1.00 0.41 O ATOM 0 H GLU A 46 -2.278 9.103 -9.301 1.00 32.34 H new ATOM 0 HA GLU A 46 -1.836 6.715 -11.038 1.00 32.04 H new ATOM 0 HB2 GLU A 46 -1.954 8.326 -12.915 1.00 61.23 H new ATOM 0 HB3 GLU A 46 -3.460 8.246 -12.021 1.00 61.23 H new ATOM 0 HG2 GLU A 46 -2.773 10.359 -10.791 1.00 65.42 H new ATOM 0 HG3 GLU A 46 -1.367 10.458 -11.833 1.00 65.42 H new ATOM 732 N GLU A 47 0.571 7.355 -11.642 1.00 34.12 N ATOM 733 CA GLU A 47 2.042 7.448 -11.671 1.00 52.35 C ATOM 734 C GLU A 47 2.522 8.722 -12.411 1.00 21.12 C ATOM 735 O GLU A 47 2.255 8.914 -13.603 1.00 55.42 O ATOM 736 CB GLU A 47 2.651 6.172 -12.301 1.00 32.11 C ATOM 737 CG GLU A 47 2.313 4.879 -11.527 1.00 40.05 C ATOM 738 CD GLU A 47 3.066 3.647 -12.049 1.00 54.21 C ATOM 739 OE1 GLU A 47 4.235 3.452 -11.655 1.00 51.33 O ATOM 740 OE2 GLU A 47 2.496 2.871 -12.849 1.00 72.21 O ATOM 0 H GLU A 47 0.188 6.692 -12.317 1.00 34.12 H new ATOM 0 HA GLU A 47 2.393 7.526 -10.642 1.00 52.35 H new ATOM 0 HB2 GLU A 47 2.293 6.076 -13.326 1.00 32.11 H new ATOM 0 HB3 GLU A 47 3.734 6.283 -12.351 1.00 32.11 H new ATOM 0 HG2 GLU A 47 2.550 5.022 -10.473 1.00 40.05 H new ATOM 0 HG3 GLU A 47 1.240 4.695 -11.590 1.00 40.05 H new ATOM 747 N SER A 48 3.225 9.578 -11.664 1.00 24.51 N ATOM 748 CA SER A 48 3.746 10.869 -12.134 1.00 22.14 C ATOM 749 C SER A 48 5.142 11.119 -11.490 1.00 52.52 C ATOM 750 O SER A 48 5.818 10.164 -11.093 1.00 70.43 O ATOM 751 CB SER A 48 2.713 11.974 -11.772 1.00 21.42 C ATOM 752 OG SER A 48 3.048 13.230 -12.352 1.00 13.11 O ATOM 0 H SER A 48 3.455 9.389 -10.688 1.00 24.51 H new ATOM 0 HA SER A 48 3.883 10.878 -13.215 1.00 22.14 H new ATOM 0 HB2 SER A 48 1.723 11.670 -12.113 1.00 21.42 H new ATOM 0 HB3 SER A 48 2.659 12.078 -10.688 1.00 21.42 H new ATOM 0 HG SER A 48 3.637 13.088 -13.122 1.00 13.11 H new ATOM 758 N ASP A 49 5.572 12.392 -11.411 1.00 63.31 N ATOM 759 CA ASP A 49 6.890 12.792 -10.851 1.00 25.15 C ATOM 760 C ASP A 49 7.103 12.287 -9.395 1.00 44.23 C ATOM 761 O ASP A 49 8.039 11.530 -9.114 1.00 34.40 O ATOM 762 CB ASP A 49 7.011 14.340 -10.890 1.00 34.51 C ATOM 763 CG ASP A 49 6.831 14.926 -12.300 1.00 22.12 C ATOM 764 OD1 ASP A 49 5.680 14.971 -12.791 1.00 23.41 O ATOM 765 OD2 ASP A 49 7.828 15.339 -12.924 1.00 62.42 O ATOM 0 H ASP A 49 5.015 13.183 -11.735 1.00 63.31 H new ATOM 0 HA ASP A 49 7.662 12.329 -11.465 1.00 25.15 H new ATOM 0 HB2 ASP A 49 6.264 14.773 -10.225 1.00 34.51 H new ATOM 0 HB3 ASP A 49 7.988 14.632 -10.504 1.00 34.51 H new ATOM 770 N PHE A 50 6.208 12.701 -8.488 1.00 73.04 N ATOM 771 CA PHE A 50 6.338 12.434 -7.035 1.00 23.44 C ATOM 772 C PHE A 50 5.716 11.080 -6.616 1.00 33.15 C ATOM 773 O PHE A 50 5.982 10.595 -5.520 1.00 51.44 O ATOM 774 CB PHE A 50 5.690 13.594 -6.230 1.00 31.31 C ATOM 775 CG PHE A 50 6.334 14.957 -6.495 1.00 42.20 C ATOM 776 CD1 PHE A 50 7.463 15.369 -5.787 1.00 2.23 C ATOM 777 CD2 PHE A 50 5.826 15.815 -7.473 1.00 31.41 C ATOM 778 CE1 PHE A 50 8.059 16.589 -6.046 1.00 43.03 C ATOM 779 CE2 PHE A 50 6.420 17.038 -7.727 1.00 12.22 C ATOM 780 CZ PHE A 50 7.539 17.421 -7.016 1.00 4.23 C ATOM 0 H PHE A 50 5.371 13.231 -8.733 1.00 73.04 H new ATOM 0 HA PHE A 50 7.403 12.373 -6.811 1.00 23.44 H new ATOM 0 HB2 PHE A 50 4.630 13.648 -6.476 1.00 31.31 H new ATOM 0 HB3 PHE A 50 5.759 13.370 -5.166 1.00 31.31 H new ATOM 0 HD1 PHE A 50 7.878 14.725 -5.025 1.00 2.23 H new ATOM 0 HD2 PHE A 50 4.956 15.519 -8.040 1.00 31.41 H new ATOM 0 HE1 PHE A 50 8.933 16.891 -5.488 1.00 43.03 H new ATOM 0 HE2 PHE A 50 6.008 17.693 -8.481 1.00 12.22 H new ATOM 0 HZ PHE A 50 8.008 18.372 -7.219 1.00 4.23 H new ATOM 790 N VAL A 51 4.885 10.475 -7.483 1.00 33.13 N ATOM 791 CA VAL A 51 4.154 9.216 -7.159 1.00 13.01 C ATOM 792 C VAL A 51 4.510 8.100 -8.163 1.00 2.13 C ATOM 793 O VAL A 51 4.333 8.281 -9.360 1.00 3.21 O ATOM 794 CB VAL A 51 2.588 9.429 -7.178 1.00 54.33 C ATOM 795 CG1 VAL A 51 1.839 8.170 -6.667 1.00 51.43 C ATOM 796 CG2 VAL A 51 2.182 10.691 -6.379 1.00 2.24 C ATOM 0 H VAL A 51 4.696 10.832 -8.420 1.00 33.13 H new ATOM 0 HA VAL A 51 4.462 8.924 -6.155 1.00 13.01 H new ATOM 0 HB VAL A 51 2.291 9.587 -8.215 1.00 54.33 H new ATOM 0 HG11 VAL A 51 0.764 8.350 -6.693 1.00 51.43 H new ATOM 0 HG12 VAL A 51 2.080 7.320 -7.305 1.00 51.43 H new ATOM 0 HG13 VAL A 51 2.146 7.954 -5.644 1.00 51.43 H new ATOM 0 HG21 VAL A 51 1.099 10.809 -6.411 1.00 2.24 H new ATOM 0 HG22 VAL A 51 2.505 10.585 -5.343 1.00 2.24 H new ATOM 0 HG23 VAL A 51 2.656 11.568 -6.819 1.00 2.24 H new ATOM 806 N VAL A 52 5.012 6.949 -7.674 1.00 11.13 N ATOM 807 CA VAL A 52 5.274 5.753 -8.519 1.00 13.11 C ATOM 808 C VAL A 52 4.775 4.471 -7.808 1.00 54.22 C ATOM 809 O VAL A 52 4.884 4.342 -6.587 1.00 34.41 O ATOM 810 CB VAL A 52 6.801 5.618 -8.917 1.00 60.15 C ATOM 811 CG1 VAL A 52 7.214 6.700 -9.948 1.00 72.34 C ATOM 812 CG2 VAL A 52 7.728 5.658 -7.669 1.00 61.51 C ATOM 0 H VAL A 52 5.248 6.816 -6.691 1.00 11.13 H new ATOM 0 HA VAL A 52 4.717 5.884 -9.447 1.00 13.11 H new ATOM 0 HB VAL A 52 6.924 4.642 -9.386 1.00 60.15 H new ATOM 0 HG11 VAL A 52 8.268 6.579 -10.200 1.00 72.34 H new ATOM 0 HG12 VAL A 52 6.611 6.593 -10.850 1.00 72.34 H new ATOM 0 HG13 VAL A 52 7.054 7.690 -9.520 1.00 72.34 H new ATOM 0 HG21 VAL A 52 8.767 5.562 -7.984 1.00 61.51 H new ATOM 0 HG22 VAL A 52 7.593 6.605 -7.146 1.00 61.51 H new ATOM 0 HG23 VAL A 52 7.474 4.835 -7.001 1.00 61.51 H new ATOM 822 N LEU A 53 4.194 3.543 -8.582 1.00 4.32 N ATOM 823 CA LEU A 53 3.643 2.268 -8.063 1.00 72.13 C ATOM 824 C LEU A 53 4.494 1.075 -8.560 1.00 72.32 C ATOM 825 O LEU A 53 4.899 1.035 -9.729 1.00 44.10 O ATOM 826 CB LEU A 53 2.159 2.102 -8.516 1.00 64.53 C ATOM 827 CG LEU A 53 1.168 3.218 -8.039 1.00 10.02 C ATOM 828 CD1 LEU A 53 -0.253 3.005 -8.609 1.00 2.50 C ATOM 829 CD2 LEU A 53 1.136 3.317 -6.497 1.00 1.13 C ATOM 0 H LEU A 53 4.089 3.650 -9.591 1.00 4.32 H new ATOM 0 HA LEU A 53 3.676 2.288 -6.974 1.00 72.13 H new ATOM 0 HB2 LEU A 53 2.134 2.063 -9.605 1.00 64.53 H new ATOM 0 HB3 LEU A 53 1.794 1.141 -8.154 1.00 64.53 H new ATOM 0 HG LEU A 53 1.539 4.165 -8.430 1.00 10.02 H new ATOM 0 HD11 LEU A 53 -0.910 3.799 -8.255 1.00 2.50 H new ATOM 0 HD12 LEU A 53 -0.215 3.024 -9.698 1.00 2.50 H new ATOM 0 HD13 LEU A 53 -0.638 2.041 -8.276 1.00 2.50 H new ATOM 0 HD21 LEU A 53 0.439 4.100 -6.197 1.00 1.13 H new ATOM 0 HD22 LEU A 53 0.813 2.364 -6.078 1.00 1.13 H new ATOM 0 HD23 LEU A 53 2.133 3.557 -6.127 1.00 1.13 H new ATOM 841 N GLU A 54 4.767 0.109 -7.664 1.00 72.01 N ATOM 842 CA GLU A 54 5.496 -1.137 -8.003 1.00 70.51 C ATOM 843 C GLU A 54 4.655 -2.388 -7.646 1.00 65.04 C ATOM 844 O GLU A 54 3.874 -2.377 -6.688 1.00 71.22 O ATOM 845 CB GLU A 54 6.881 -1.185 -7.299 1.00 4.45 C ATOM 846 CG GLU A 54 7.898 -0.139 -7.808 1.00 43.41 C ATOM 847 CD GLU A 54 9.327 -0.394 -7.295 1.00 74.12 C ATOM 848 OE1 GLU A 54 10.010 -1.286 -7.843 1.00 23.04 O ATOM 849 OE2 GLU A 54 9.768 0.268 -6.338 1.00 23.01 O ATOM 0 H GLU A 54 4.491 0.166 -6.684 1.00 72.01 H new ATOM 0 HA GLU A 54 5.665 -1.139 -9.080 1.00 70.51 H new ATOM 0 HB2 GLU A 54 6.735 -1.040 -6.229 1.00 4.45 H new ATOM 0 HB3 GLU A 54 7.306 -2.180 -7.430 1.00 4.45 H new ATOM 0 HG2 GLU A 54 7.902 -0.144 -8.898 1.00 43.41 H new ATOM 0 HG3 GLU A 54 7.577 0.855 -7.495 1.00 43.41 H new ATOM 856 N ASN A 55 4.830 -3.460 -8.441 1.00 53.01 N ATOM 857 CA ASN A 55 4.054 -4.717 -8.320 1.00 14.41 C ATOM 858 C ASN A 55 4.972 -5.968 -8.430 1.00 42.35 C ATOM 859 O ASN A 55 5.663 -6.161 -9.431 1.00 70.05 O ATOM 860 CB ASN A 55 2.931 -4.741 -9.396 1.00 25.24 C ATOM 861 CG ASN A 55 3.413 -4.341 -10.803 1.00 10.44 C ATOM 862 OD1 ASN A 55 3.373 -3.179 -11.175 1.00 12.31 O ATOM 863 ND2 ASN A 55 3.920 -5.282 -11.572 1.00 45.51 N ATOM 0 H ASN A 55 5.519 -3.482 -9.193 1.00 53.01 H new ATOM 0 HA ASN A 55 3.595 -4.750 -7.332 1.00 14.41 H new ATOM 0 HB2 ASN A 55 2.503 -5.742 -9.439 1.00 25.24 H new ATOM 0 HB3 ASN A 55 2.132 -4.066 -9.090 1.00 25.24 H new ATOM 0 HD21 ASN A 55 4.287 -5.045 -12.494 1.00 45.51 H new ATOM 0 HD22 ASN A 55 3.946 -6.248 -11.246 1.00 45.51 H new ATOM 870 N GLU A 56 4.974 -6.805 -7.376 1.00 71.33 N ATOM 871 CA GLU A 56 5.679 -8.105 -7.357 1.00 21.01 C ATOM 872 C GLU A 56 4.658 -9.238 -7.121 1.00 0.42 C ATOM 873 O GLU A 56 4.460 -9.702 -5.985 1.00 72.20 O ATOM 874 CB GLU A 56 6.781 -8.098 -6.263 1.00 31.53 C ATOM 875 CG GLU A 56 7.687 -9.346 -6.225 1.00 14.45 C ATOM 876 CD GLU A 56 8.460 -9.560 -7.534 1.00 75.12 C ATOM 877 OE1 GLU A 56 9.390 -8.776 -7.814 1.00 73.20 O ATOM 878 OE2 GLU A 56 8.127 -10.490 -8.299 1.00 61.23 O ATOM 0 H GLU A 56 4.483 -6.599 -6.506 1.00 71.33 H new ATOM 0 HA GLU A 56 6.166 -8.275 -8.317 1.00 21.01 H new ATOM 0 HB2 GLU A 56 7.409 -7.219 -6.410 1.00 31.53 H new ATOM 0 HB3 GLU A 56 6.302 -7.988 -5.290 1.00 31.53 H new ATOM 0 HG2 GLU A 56 8.395 -9.250 -5.402 1.00 14.45 H new ATOM 0 HG3 GLU A 56 7.077 -10.226 -6.020 1.00 14.45 H new ATOM 885 N GLY A 57 3.990 -9.658 -8.202 1.00 42.45 N ATOM 886 CA GLY A 57 2.844 -10.567 -8.104 1.00 4.45 C ATOM 887 C GLY A 57 1.680 -9.932 -7.319 1.00 71.54 C ATOM 888 O GLY A 57 1.300 -8.799 -7.618 1.00 3.23 O ATOM 0 H GLY A 57 4.225 -9.382 -9.155 1.00 42.45 H new ATOM 0 HA2 GLY A 57 2.505 -10.835 -9.105 1.00 4.45 H new ATOM 0 HA3 GLY A 57 3.153 -11.491 -7.614 1.00 4.45 H new ATOM 892 N PRO A 58 1.099 -10.623 -6.284 1.00 61.30 N ATOM 893 CA PRO A 58 0.020 -10.037 -5.429 1.00 34.42 C ATOM 894 C PRO A 58 0.533 -8.957 -4.422 1.00 34.30 C ATOM 895 O PRO A 58 -0.256 -8.393 -3.657 1.00 1.51 O ATOM 896 CB PRO A 58 -0.543 -11.284 -4.704 1.00 13.52 C ATOM 897 CG PRO A 58 0.627 -12.215 -4.605 1.00 21.34 C ATOM 898 CD PRO A 58 1.411 -12.027 -5.888 1.00 22.33 C ATOM 0 HA PRO A 58 -0.720 -9.491 -6.013 1.00 34.42 H new ATOM 0 HB2 PRO A 58 -0.933 -11.029 -3.719 1.00 13.52 H new ATOM 0 HB3 PRO A 58 -1.363 -11.734 -5.264 1.00 13.52 H new ATOM 0 HG2 PRO A 58 1.240 -11.982 -3.734 1.00 21.34 H new ATOM 0 HG3 PRO A 58 0.297 -13.248 -4.496 1.00 21.34 H new ATOM 0 HD2 PRO A 58 2.480 -12.171 -5.730 1.00 22.33 H new ATOM 0 HD3 PRO A 58 1.103 -12.738 -6.654 1.00 22.33 H new ATOM 906 N HIS A 59 1.862 -8.683 -4.435 1.00 75.25 N ATOM 907 CA HIS A 59 2.493 -7.638 -3.591 1.00 51.15 C ATOM 908 C HIS A 59 2.370 -6.263 -4.300 1.00 14.41 C ATOM 909 O HIS A 59 3.133 -5.975 -5.224 1.00 41.31 O ATOM 910 CB HIS A 59 3.999 -7.953 -3.347 1.00 50.22 C ATOM 911 CG HIS A 59 4.327 -9.304 -2.763 1.00 35.32 C ATOM 912 ND1 HIS A 59 3.648 -10.479 -2.742 1.00 21.40 N flip ATOM 913 CD2 HIS A 59 5.522 -9.562 -2.134 1.00 11.13 C flip ATOM 914 CE1 HIS A 59 4.446 -11.399 -2.112 1.00 3.12 C flip ATOM 915 NE2 HIS A 59 5.567 -10.817 -1.758 1.00 24.24 N flip ATOM 0 H HIS A 59 2.525 -9.180 -5.030 1.00 75.25 H new ATOM 0 HA HIS A 59 1.981 -7.615 -2.629 1.00 51.15 H new ATOM 0 HB2 HIS A 59 4.524 -7.858 -4.298 1.00 50.22 H new ATOM 0 HB3 HIS A 59 4.402 -7.189 -2.682 1.00 50.22 H new ATOM 0 HD2 HIS A 59 6.307 -8.838 -1.973 1.00 11.13 H new ATOM 0 HE1 HIS A 59 4.193 -12.434 -1.936 1.00 3.12 H new ATOM 0 HE2 HIS A 59 6.343 -11.266 -1.272 1.00 24.24 H new ATOM 924 N ARG A 60 1.393 -5.439 -3.898 1.00 63.53 N ATOM 925 CA ARG A 60 1.103 -4.145 -4.565 1.00 33.14 C ATOM 926 C ARG A 60 1.456 -2.963 -3.641 1.00 31.04 C ATOM 927 O ARG A 60 0.732 -2.677 -2.684 1.00 22.34 O ATOM 928 CB ARG A 60 -0.386 -4.099 -4.958 1.00 30.42 C ATOM 929 CG ARG A 60 -0.864 -5.282 -5.819 1.00 70.01 C ATOM 930 CD ARG A 60 -0.190 -5.315 -7.198 1.00 42.12 C ATOM 931 NE ARG A 60 -0.459 -6.577 -7.896 1.00 53.12 N ATOM 932 CZ ARG A 60 -0.607 -6.713 -9.191 1.00 41.15 C ATOM 933 NH1 ARG A 60 -0.745 -5.688 -9.974 1.00 43.32 N ATOM 934 NH2 ARG A 60 -0.659 -7.893 -9.684 1.00 30.31 N ATOM 0 H ARG A 60 0.781 -5.641 -3.108 1.00 63.53 H new ATOM 0 HA ARG A 60 1.716 -4.060 -5.462 1.00 33.14 H new ATOM 0 HB2 ARG A 60 -0.986 -4.064 -4.049 1.00 30.42 H new ATOM 0 HB3 ARG A 60 -0.575 -3.173 -5.501 1.00 30.42 H new ATOM 0 HG2 ARG A 60 -0.658 -6.215 -5.295 1.00 70.01 H new ATOM 0 HG3 ARG A 60 -1.945 -5.220 -5.948 1.00 70.01 H new ATOM 0 HD2 ARG A 60 -0.550 -4.481 -7.800 1.00 42.12 H new ATOM 0 HD3 ARG A 60 0.886 -5.184 -7.082 1.00 42.12 H new ATOM 0 HE ARG A 60 -0.537 -7.419 -7.326 1.00 53.12 H new ATOM 0 HH11 ARG A 60 -0.740 -4.745 -9.585 1.00 43.32 H new ATOM 0 HH12 ARG A 60 -0.858 -5.825 -10.978 1.00 43.32 H new ATOM 0 HH21 ARG A 60 -0.586 -8.705 -9.071 1.00 30.31 H new ATOM 0 HH22 ARG A 60 -0.774 -8.021 -10.689 1.00 30.31 H new ATOM 948 N ARG A 61 2.561 -2.276 -3.946 1.00 43.31 N ATOM 949 CA ARG A 61 3.135 -1.237 -3.072 1.00 63.13 C ATOM 950 C ARG A 61 3.184 0.155 -3.739 1.00 12.41 C ATOM 951 O ARG A 61 3.390 0.279 -4.950 1.00 3.41 O ATOM 952 CB ARG A 61 4.553 -1.672 -2.603 1.00 1.41 C ATOM 953 CG ARG A 61 5.527 -2.068 -3.723 1.00 62.21 C ATOM 954 CD ARG A 61 6.950 -2.321 -3.202 1.00 13.42 C ATOM 955 NE ARG A 61 7.007 -3.316 -2.107 1.00 24.21 N ATOM 956 CZ ARG A 61 8.078 -3.998 -1.752 1.00 15.13 C ATOM 957 NH1 ARG A 61 9.176 -3.946 -2.441 1.00 24.22 N ATOM 958 NH2 ARG A 61 8.030 -4.767 -0.715 1.00 62.43 N ATOM 0 H ARG A 61 3.087 -2.422 -4.807 1.00 43.31 H new ATOM 0 HA ARG A 61 2.475 -1.138 -2.210 1.00 63.13 H new ATOM 0 HB2 ARG A 61 4.995 -0.855 -2.033 1.00 1.41 H new ATOM 0 HB3 ARG A 61 4.448 -2.516 -1.921 1.00 1.41 H new ATOM 0 HG2 ARG A 61 5.160 -2.967 -4.219 1.00 62.21 H new ATOM 0 HG3 ARG A 61 5.553 -1.278 -4.474 1.00 62.21 H new ATOM 0 HD2 ARG A 61 7.575 -2.663 -4.027 1.00 13.42 H new ATOM 0 HD3 ARG A 61 7.373 -1.380 -2.850 1.00 13.42 H new ATOM 0 HE ARG A 61 6.148 -3.488 -1.585 1.00 24.21 H new ATOM 0 HH11 ARG A 61 9.225 -3.367 -3.280 1.00 24.22 H new ATOM 0 HH12 ARG A 61 9.990 -4.484 -2.144 1.00 24.22 H new ATOM 0 HH21 ARG A 61 7.167 -4.844 -0.176 1.00 62.43 H new ATOM 0 HH22 ARG A 61 8.855 -5.297 -0.435 1.00 62.43 H new ATOM 972 N LEU A 62 2.982 1.197 -2.909 1.00 33.35 N ATOM 973 CA LEU A 62 3.130 2.610 -3.309 1.00 33.55 C ATOM 974 C LEU A 62 4.503 3.129 -2.832 1.00 0.32 C ATOM 975 O LEU A 62 4.810 3.099 -1.635 1.00 64.23 O ATOM 976 CB LEU A 62 1.955 3.458 -2.723 1.00 64.33 C ATOM 977 CG LEU A 62 1.773 4.930 -3.278 1.00 13.05 C ATOM 978 CD1 LEU A 62 0.308 5.403 -3.123 1.00 23.12 C ATOM 979 CD2 LEU A 62 2.737 5.950 -2.616 1.00 44.41 C ATOM 0 H LEU A 62 2.709 1.080 -1.933 1.00 33.35 H new ATOM 0 HA LEU A 62 3.087 2.699 -4.394 1.00 33.55 H new ATOM 0 HB2 LEU A 62 1.027 2.914 -2.899 1.00 64.33 H new ATOM 0 HB3 LEU A 62 2.089 3.519 -1.643 1.00 64.33 H new ATOM 0 HG LEU A 62 2.027 4.890 -4.337 1.00 13.05 H new ATOM 0 HD11 LEU A 62 0.210 6.417 -3.512 1.00 23.12 H new ATOM 0 HD12 LEU A 62 -0.351 4.736 -3.679 1.00 23.12 H new ATOM 0 HD13 LEU A 62 0.031 5.390 -2.069 1.00 23.12 H new ATOM 0 HD21 LEU A 62 2.564 6.940 -3.038 1.00 44.41 H new ATOM 0 HD22 LEU A 62 2.557 5.977 -1.541 1.00 44.41 H new ATOM 0 HD23 LEU A 62 3.768 5.651 -2.803 1.00 44.41 H new ATOM 991 N VAL A 63 5.316 3.601 -3.784 1.00 61.00 N ATOM 992 CA VAL A 63 6.652 4.162 -3.516 1.00 23.32 C ATOM 993 C VAL A 63 6.622 5.703 -3.684 1.00 50.11 C ATOM 994 O VAL A 63 6.198 6.218 -4.729 1.00 22.32 O ATOM 995 CB VAL A 63 7.723 3.522 -4.480 1.00 50.42 C ATOM 996 CG1 VAL A 63 9.161 4.017 -4.169 1.00 11.24 C ATOM 997 CG2 VAL A 63 7.630 1.974 -4.450 1.00 62.00 C ATOM 0 H VAL A 63 5.066 3.606 -4.773 1.00 61.00 H new ATOM 0 HA VAL A 63 6.933 3.926 -2.490 1.00 23.32 H new ATOM 0 HB VAL A 63 7.495 3.855 -5.493 1.00 50.42 H new ATOM 0 HG11 VAL A 63 9.864 3.549 -4.858 1.00 11.24 H new ATOM 0 HG12 VAL A 63 9.206 5.100 -4.284 1.00 11.24 H new ATOM 0 HG13 VAL A 63 9.424 3.750 -3.146 1.00 11.24 H new ATOM 0 HG21 VAL A 63 8.377 1.552 -5.122 1.00 62.00 H new ATOM 0 HG22 VAL A 63 7.811 1.618 -3.436 1.00 62.00 H new ATOM 0 HG23 VAL A 63 6.636 1.663 -4.771 1.00 62.00 H new ATOM 1007 N LEU A 64 7.058 6.425 -2.644 1.00 41.11 N ATOM 1008 CA LEU A 64 7.108 7.902 -2.643 1.00 52.22 C ATOM 1009 C LEU A 64 8.586 8.363 -2.452 1.00 1.10 C ATOM 1010 O LEU A 64 9.153 8.141 -1.378 1.00 72.32 O ATOM 1011 CB LEU A 64 6.165 8.479 -1.524 1.00 20.11 C ATOM 1012 CG LEU A 64 5.395 9.802 -1.864 1.00 32.43 C ATOM 1013 CD1 LEU A 64 6.347 10.926 -2.323 1.00 5.34 C ATOM 1014 CD2 LEU A 64 4.275 9.541 -2.903 1.00 33.12 C ATOM 0 H LEU A 64 7.388 6.005 -1.775 1.00 41.11 H new ATOM 0 HA LEU A 64 6.748 8.288 -3.597 1.00 52.22 H new ATOM 0 HB2 LEU A 64 5.431 7.714 -1.270 1.00 20.11 H new ATOM 0 HB3 LEU A 64 6.765 8.654 -0.631 1.00 20.11 H new ATOM 0 HG LEU A 64 4.923 10.149 -0.945 1.00 32.43 H new ATOM 0 HD11 LEU A 64 5.770 11.823 -2.548 1.00 5.34 H new ATOM 0 HD12 LEU A 64 7.062 11.144 -1.530 1.00 5.34 H new ATOM 0 HD13 LEU A 64 6.883 10.606 -3.217 1.00 5.34 H new ATOM 0 HD21 LEU A 64 3.756 10.475 -3.121 1.00 33.12 H new ATOM 0 HD22 LEU A 64 4.714 9.147 -3.820 1.00 33.12 H new ATOM 0 HD23 LEU A 64 3.566 8.818 -2.500 1.00 33.12 H new ATOM 1026 N PRO A 65 9.237 8.970 -3.509 1.00 71.33 N ATOM 1027 CA PRO A 65 10.632 9.500 -3.421 1.00 1.21 C ATOM 1028 C PRO A 65 10.833 10.598 -2.324 1.00 41.22 C ATOM 1029 O PRO A 65 11.487 10.348 -1.313 1.00 23.00 O ATOM 1030 CB PRO A 65 10.898 10.052 -4.851 1.00 54.41 C ATOM 1031 CG PRO A 65 9.928 9.323 -5.728 1.00 31.41 C ATOM 1032 CD PRO A 65 8.694 9.130 -4.886 1.00 73.30 C ATOM 0 HA PRO A 65 11.333 8.724 -3.114 1.00 1.21 H new ATOM 0 HB2 PRO A 65 10.739 11.129 -4.895 1.00 54.41 H new ATOM 0 HB3 PRO A 65 11.927 9.869 -5.161 1.00 54.41 H new ATOM 0 HG2 PRO A 65 9.704 9.896 -6.628 1.00 31.41 H new ATOM 0 HG3 PRO A 65 10.335 8.366 -6.053 1.00 31.41 H new ATOM 0 HD2 PRO A 65 8.022 9.985 -4.956 1.00 73.30 H new ATOM 0 HD3 PRO A 65 8.127 8.253 -5.199 1.00 73.30 H new ATOM 1040 N ALA A 66 10.269 11.810 -2.527 1.00 2.15 N ATOM 1041 CA ALA A 66 10.326 12.912 -1.525 1.00 55.12 C ATOM 1042 C ALA A 66 8.910 13.208 -0.992 1.00 65.14 C ATOM 1043 O ALA A 66 8.109 13.874 -1.664 1.00 33.12 O ATOM 1044 CB ALA A 66 10.970 14.177 -2.125 1.00 50.43 C ATOM 0 H ALA A 66 9.765 12.056 -3.379 1.00 2.15 H new ATOM 0 HA ALA A 66 10.953 12.594 -0.692 1.00 55.12 H new ATOM 0 HB1 ALA A 66 10.998 14.964 -1.371 1.00 50.43 H new ATOM 0 HB2 ALA A 66 11.985 13.949 -2.450 1.00 50.43 H new ATOM 0 HB3 ALA A 66 10.383 14.514 -2.979 1.00 50.43 H new ATOM 1050 N THR A 67 8.601 12.681 0.206 1.00 45.33 N ATOM 1051 CA THR A 67 7.238 12.720 0.782 1.00 31.10 C ATOM 1052 C THR A 67 6.912 14.104 1.401 1.00 73.42 C ATOM 1053 O THR A 67 7.142 14.353 2.588 1.00 63.33 O ATOM 1054 CB THR A 67 7.042 11.569 1.833 1.00 51.21 C ATOM 1055 OG1 THR A 67 7.545 10.322 1.299 1.00 71.04 O ATOM 1056 CG2 THR A 67 5.556 11.382 2.217 1.00 22.20 C ATOM 0 H THR A 67 9.285 12.216 0.804 1.00 45.33 H new ATOM 0 HA THR A 67 6.534 12.560 -0.034 1.00 31.10 H new ATOM 0 HB THR A 67 7.596 11.853 2.728 1.00 51.21 H new ATOM 0 HG1 THR A 67 8.360 10.066 1.779 1.00 71.04 H new ATOM 0 HG21 THR A 67 5.467 10.576 2.946 1.00 22.20 H new ATOM 0 HG22 THR A 67 5.173 12.306 2.650 1.00 22.20 H new ATOM 0 HG23 THR A 67 4.979 11.131 1.327 1.00 22.20 H new ATOM 1064 N GLN A 68 6.394 15.003 0.556 1.00 72.32 N ATOM 1065 CA GLN A 68 5.999 16.376 0.946 1.00 1.42 C ATOM 1066 C GLN A 68 4.640 16.357 1.722 1.00 62.44 C ATOM 1067 O GLN A 68 3.927 15.356 1.650 1.00 74.35 O ATOM 1068 CB GLN A 68 5.904 17.234 -0.350 1.00 1.50 C ATOM 1069 CG GLN A 68 7.194 17.238 -1.207 1.00 40.04 C ATOM 1070 CD GLN A 68 7.026 17.894 -2.585 1.00 43.25 C ATOM 1071 OE1 GLN A 68 5.955 17.877 -3.175 1.00 64.15 O ATOM 1072 NE2 GLN A 68 8.087 18.470 -3.114 1.00 24.34 N ATOM 0 H GLN A 68 6.232 14.802 -0.431 1.00 72.32 H new ATOM 0 HA GLN A 68 6.740 16.810 1.617 1.00 1.42 H new ATOM 0 HB2 GLN A 68 5.079 16.863 -0.958 1.00 1.50 H new ATOM 0 HB3 GLN A 68 5.661 18.260 -0.075 1.00 1.50 H new ATOM 0 HG2 GLN A 68 7.979 17.760 -0.661 1.00 40.04 H new ATOM 0 HG3 GLN A 68 7.530 16.210 -1.344 1.00 40.04 H new ATOM 0 HE21 GLN A 68 8.972 18.474 -2.606 1.00 24.34 H new ATOM 0 HE22 GLN A 68 8.023 18.912 -4.031 1.00 24.34 H new ATOM 1081 N PRO A 69 4.253 17.442 2.491 1.00 74.24 N ATOM 1082 CA PRO A 69 2.964 17.478 3.268 1.00 1.03 C ATOM 1083 C PRO A 69 1.696 17.112 2.430 1.00 30.10 C ATOM 1084 O PRO A 69 0.723 16.587 2.974 1.00 54.13 O ATOM 1085 CB PRO A 69 2.903 18.940 3.809 1.00 3.42 C ATOM 1086 CG PRO A 69 3.948 19.693 3.030 1.00 21.33 C ATOM 1087 CD PRO A 69 5.025 18.687 2.711 1.00 74.53 C ATOM 0 HA PRO A 69 2.957 16.722 4.053 1.00 1.03 H new ATOM 0 HB2 PRO A 69 1.914 19.373 3.662 1.00 3.42 H new ATOM 0 HB3 PRO A 69 3.109 18.973 4.879 1.00 3.42 H new ATOM 0 HG2 PRO A 69 3.527 20.117 2.119 1.00 21.33 H new ATOM 0 HG3 PRO A 69 4.348 20.523 3.613 1.00 21.33 H new ATOM 0 HD2 PRO A 69 5.595 18.971 1.827 1.00 74.53 H new ATOM 0 HD3 PRO A 69 5.737 18.583 3.530 1.00 74.53 H new ATOM 1095 N SER A 70 1.742 17.376 1.106 1.00 42.30 N ATOM 1096 CA SER A 70 0.676 16.973 0.155 1.00 24.20 C ATOM 1097 C SER A 70 0.608 15.428 0.009 1.00 64.34 C ATOM 1098 O SER A 70 -0.479 14.841 -0.011 1.00 31.44 O ATOM 1099 CB SER A 70 0.915 17.622 -1.231 1.00 1.22 C ATOM 1100 OG SER A 70 0.925 19.043 -1.150 1.00 14.45 O ATOM 0 H SER A 70 2.516 17.873 0.665 1.00 42.30 H new ATOM 0 HA SER A 70 -0.276 17.322 0.555 1.00 24.20 H new ATOM 0 HB2 SER A 70 1.864 17.274 -1.638 1.00 1.22 H new ATOM 0 HB3 SER A 70 0.136 17.302 -1.922 1.00 1.22 H new ATOM 0 HG SER A 70 1.080 19.420 -2.041 1.00 14.45 H new ATOM 1106 N ASP A 71 1.793 14.787 -0.076 1.00 34.53 N ATOM 1107 CA ASP A 71 1.929 13.316 -0.214 1.00 22.01 C ATOM 1108 C ASP A 71 1.514 12.555 1.076 1.00 44.32 C ATOM 1109 O ASP A 71 1.214 11.366 1.020 1.00 74.24 O ATOM 1110 CB ASP A 71 3.377 12.945 -0.605 1.00 64.10 C ATOM 1111 CG ASP A 71 3.824 13.619 -1.910 1.00 52.41 C ATOM 1112 OD1 ASP A 71 3.624 13.031 -2.995 1.00 5.34 O ATOM 1113 OD2 ASP A 71 4.330 14.756 -1.852 1.00 62.52 O ATOM 0 H ASP A 71 2.688 15.275 -0.051 1.00 34.53 H new ATOM 0 HA ASP A 71 1.246 13.007 -1.005 1.00 22.01 H new ATOM 0 HB2 ASP A 71 4.053 13.234 0.200 1.00 64.10 H new ATOM 0 HB3 ASP A 71 3.455 11.863 -0.713 1.00 64.10 H new ATOM 1118 N GLY A 72 1.501 13.255 2.222 1.00 12.11 N ATOM 1119 CA GLY A 72 1.069 12.670 3.504 1.00 52.14 C ATOM 1120 C GLY A 72 -0.451 12.668 3.702 1.00 14.33 C ATOM 1121 O GLY A 72 -1.212 13.048 2.802 1.00 42.20 O ATOM 0 H GLY A 72 1.786 14.232 2.288 1.00 12.11 H new ATOM 0 HA2 GLY A 72 1.436 11.645 3.567 1.00 52.14 H new ATOM 0 HA3 GLY A 72 1.532 13.225 4.320 1.00 52.14 H new ATOM 1125 N GLY A 73 -0.891 12.238 4.897 1.00 63.14 N ATOM 1126 CA GLY A 73 -2.315 12.194 5.256 1.00 35.23 C ATOM 1127 C GLY A 73 -2.836 10.765 5.441 1.00 61.43 C ATOM 1128 O GLY A 73 -2.454 10.087 6.397 1.00 54.24 O ATOM 0 H GLY A 73 -0.270 11.913 5.638 1.00 63.14 H new ATOM 0 HA2 GLY A 73 -2.470 12.755 6.178 1.00 35.23 H new ATOM 0 HA3 GLY A 73 -2.897 12.690 4.479 1.00 35.23 H new ATOM 1132 N GLU A 74 -3.708 10.301 4.521 1.00 53.54 N ATOM 1133 CA GLU A 74 -4.338 8.960 4.592 1.00 15.54 C ATOM 1134 C GLU A 74 -4.274 8.235 3.228 1.00 63.22 C ATOM 1135 O GLU A 74 -4.727 8.772 2.210 1.00 0.02 O ATOM 1136 CB GLU A 74 -5.823 9.063 5.044 1.00 75.33 C ATOM 1137 CG GLU A 74 -6.030 9.617 6.469 1.00 75.22 C ATOM 1138 CD GLU A 74 -7.508 9.629 6.893 1.00 45.23 C ATOM 1139 OE1 GLU A 74 -8.199 10.639 6.646 1.00 44.34 O ATOM 1140 OE2 GLU A 74 -7.981 8.620 7.460 1.00 62.31 O ATOM 0 H GLU A 74 -3.997 10.843 3.707 1.00 53.54 H new ATOM 0 HA GLU A 74 -3.776 8.384 5.327 1.00 15.54 H new ATOM 0 HB2 GLU A 74 -6.359 9.700 4.340 1.00 75.33 H new ATOM 0 HB3 GLU A 74 -6.275 8.073 4.985 1.00 75.33 H new ATOM 0 HG2 GLU A 74 -5.459 9.014 7.175 1.00 75.22 H new ATOM 0 HG3 GLU A 74 -5.633 10.631 6.521 1.00 75.22 H new ATOM 1147 N PHE A 75 -3.706 7.014 3.228 1.00 23.15 N ATOM 1148 CA PHE A 75 -3.696 6.111 2.057 1.00 74.10 C ATOM 1149 C PHE A 75 -4.718 4.976 2.286 1.00 65.55 C ATOM 1150 O PHE A 75 -4.563 4.166 3.203 1.00 41.02 O ATOM 1151 CB PHE A 75 -2.282 5.511 1.827 1.00 2.52 C ATOM 1152 CG PHE A 75 -1.201 6.530 1.473 1.00 54.04 C ATOM 1153 CD1 PHE A 75 -0.704 7.417 2.428 1.00 12.00 C ATOM 1154 CD2 PHE A 75 -0.669 6.590 0.187 1.00 35.32 C ATOM 1155 CE1 PHE A 75 0.283 8.328 2.104 1.00 10.41 C ATOM 1156 CE2 PHE A 75 0.318 7.498 -0.132 1.00 41.21 C ATOM 1157 CZ PHE A 75 0.795 8.365 0.823 1.00 4.31 C ATOM 0 H PHE A 75 -3.238 6.622 4.045 1.00 23.15 H new ATOM 0 HA PHE A 75 -3.967 6.683 1.170 1.00 74.10 H new ATOM 0 HB2 PHE A 75 -1.978 4.979 2.728 1.00 2.52 H new ATOM 0 HB3 PHE A 75 -2.342 4.774 1.026 1.00 2.52 H new ATOM 0 HD1 PHE A 75 -1.096 7.391 3.434 1.00 12.00 H new ATOM 0 HD2 PHE A 75 -1.035 5.915 -0.572 1.00 35.32 H new ATOM 0 HE1 PHE A 75 0.654 9.011 2.854 1.00 10.41 H new ATOM 0 HE2 PHE A 75 0.718 7.529 -1.135 1.00 41.21 H new ATOM 0 HZ PHE A 75 1.570 9.074 0.571 1.00 4.31 H new ATOM 1167 N GLN A 76 -5.756 4.937 1.449 1.00 21.42 N ATOM 1168 CA GLN A 76 -6.823 3.922 1.507 1.00 51.40 C ATOM 1169 C GLN A 76 -6.659 2.964 0.296 1.00 72.32 C ATOM 1170 O GLN A 76 -6.604 3.419 -0.844 1.00 31.01 O ATOM 1171 CB GLN A 76 -8.219 4.640 1.499 1.00 44.23 C ATOM 1172 CG GLN A 76 -9.326 3.944 2.313 1.00 13.24 C ATOM 1173 CD GLN A 76 -9.578 2.502 1.897 1.00 63.03 C ATOM 1174 OE1 GLN A 76 -8.980 1.577 2.438 1.00 42.40 O ATOM 1175 NE2 GLN A 76 -10.433 2.296 0.916 1.00 64.12 N ATOM 0 H GLN A 76 -5.886 5.616 0.699 1.00 21.42 H new ATOM 0 HA GLN A 76 -6.757 3.334 2.423 1.00 51.40 H new ATOM 0 HB2 GLN A 76 -8.090 5.652 1.884 1.00 44.23 H new ATOM 0 HB3 GLN A 76 -8.555 4.732 0.466 1.00 44.23 H new ATOM 0 HG2 GLN A 76 -9.056 3.966 3.369 1.00 13.24 H new ATOM 0 HG3 GLN A 76 -10.252 4.510 2.208 1.00 13.24 H new ATOM 0 HE21 GLN A 76 -10.915 3.085 0.486 1.00 64.12 H new ATOM 0 HE22 GLN A 76 -10.613 1.347 0.587 1.00 64.12 H new ATOM 1184 N CYS A 77 -6.603 1.643 0.542 1.00 33.52 N ATOM 1185 CA CYS A 77 -6.228 0.653 -0.503 1.00 12.31 C ATOM 1186 C CYS A 77 -7.286 -0.472 -0.656 1.00 21.24 C ATOM 1187 O CYS A 77 -7.318 -1.415 0.134 1.00 32.42 O ATOM 1188 CB CYS A 77 -4.837 0.066 -0.187 1.00 32.40 C ATOM 1189 SG CYS A 77 -4.156 -0.931 -1.523 1.00 63.55 S ATOM 0 H CYS A 77 -6.811 1.229 1.451 1.00 33.52 H new ATOM 0 HA CYS A 77 -6.190 1.174 -1.460 1.00 12.31 H new ATOM 0 HB2 CYS A 77 -4.149 0.882 0.033 1.00 32.40 H new ATOM 0 HB3 CYS A 77 -4.905 -0.545 0.713 1.00 32.40 H new ATOM 0 HG CYS A 77 -4.095 -2.174 -1.149 1.00 63.55 H new ATOM 1195 N VAL A 78 -8.137 -0.373 -1.702 1.00 12.21 N ATOM 1196 CA VAL A 78 -9.283 -1.299 -1.926 1.00 64.51 C ATOM 1197 C VAL A 78 -8.856 -2.582 -2.683 1.00 35.33 C ATOM 1198 O VAL A 78 -8.430 -2.505 -3.834 1.00 13.10 O ATOM 1199 CB VAL A 78 -10.434 -0.585 -2.736 1.00 45.44 C ATOM 1200 CG1 VAL A 78 -11.681 -1.496 -2.901 1.00 44.32 C ATOM 1201 CG2 VAL A 78 -10.804 0.767 -2.087 1.00 32.13 C ATOM 0 H VAL A 78 -8.053 0.349 -2.418 1.00 12.21 H new ATOM 0 HA VAL A 78 -9.648 -1.584 -0.939 1.00 64.51 H new ATOM 0 HB VAL A 78 -10.055 -0.387 -3.738 1.00 45.44 H new ATOM 0 HG11 VAL A 78 -12.448 -0.964 -3.464 1.00 44.32 H new ATOM 0 HG12 VAL A 78 -11.401 -2.403 -3.436 1.00 44.32 H new ATOM 0 HG13 VAL A 78 -12.071 -1.761 -1.918 1.00 44.32 H new ATOM 0 HG21 VAL A 78 -11.599 1.241 -2.662 1.00 32.13 H new ATOM 0 HG22 VAL A 78 -11.146 0.599 -1.066 1.00 32.13 H new ATOM 0 HG23 VAL A 78 -9.929 1.416 -2.075 1.00 32.13 H new ATOM 1211 N ALA A 79 -9.000 -3.753 -2.030 1.00 73.44 N ATOM 1212 CA ALA A 79 -8.728 -5.073 -2.657 1.00 0.22 C ATOM 1213 C ALA A 79 -9.923 -5.547 -3.516 1.00 45.03 C ATOM 1214 O ALA A 79 -9.752 -5.957 -4.671 1.00 22.33 O ATOM 1215 CB ALA A 79 -8.408 -6.109 -1.578 1.00 54.51 C ATOM 0 H ALA A 79 -9.306 -3.816 -1.059 1.00 73.44 H new ATOM 0 HA ALA A 79 -7.867 -4.963 -3.316 1.00 0.22 H new ATOM 0 HB1 ALA A 79 -8.210 -7.073 -2.047 1.00 54.51 H new ATOM 0 HB2 ALA A 79 -7.529 -5.791 -1.017 1.00 54.51 H new ATOM 0 HB3 ALA A 79 -9.257 -6.202 -0.900 1.00 54.51 H new ATOM 1221 N GLY A 80 -11.131 -5.481 -2.924 1.00 72.43 N ATOM 1222 CA GLY A 80 -12.371 -5.881 -3.604 1.00 12.22 C ATOM 1223 C GLY A 80 -13.543 -6.036 -2.630 1.00 23.54 C ATOM 1224 O GLY A 80 -14.546 -5.319 -2.729 1.00 62.25 O ATOM 0 H GLY A 80 -11.271 -5.151 -1.969 1.00 72.43 H new ATOM 0 HA2 GLY A 80 -12.625 -5.137 -4.359 1.00 12.22 H new ATOM 0 HA3 GLY A 80 -12.209 -6.824 -4.127 1.00 12.22 H new ATOM 1228 N ASP A 81 -13.417 -6.996 -1.693 1.00 62.54 N ATOM 1229 CA ASP A 81 -14.405 -7.220 -0.610 1.00 60.51 C ATOM 1230 C ASP A 81 -14.123 -6.293 0.601 1.00 65.30 C ATOM 1231 O ASP A 81 -15.052 -5.853 1.286 1.00 33.51 O ATOM 1232 CB ASP A 81 -14.385 -8.706 -0.163 1.00 41.41 C ATOM 1233 CG ASP A 81 -14.947 -9.651 -1.240 1.00 5.45 C ATOM 1234 OD1 ASP A 81 -16.186 -9.798 -1.316 1.00 53.21 O ATOM 1235 OD2 ASP A 81 -14.168 -10.232 -2.026 1.00 45.44 O ATOM 0 H ASP A 81 -12.627 -7.641 -1.662 1.00 62.54 H new ATOM 0 HA ASP A 81 -15.394 -6.980 -0.999 1.00 60.51 H new ATOM 0 HB2 ASP A 81 -13.362 -8.997 0.074 1.00 41.41 H new ATOM 0 HB3 ASP A 81 -14.967 -8.815 0.752 1.00 41.41 H new ATOM 1240 N GLU A 82 -12.832 -6.009 0.838 1.00 33.22 N ATOM 1241 CA GLU A 82 -12.357 -5.163 1.961 1.00 11.12 C ATOM 1242 C GLU A 82 -11.263 -4.179 1.485 1.00 2.20 C ATOM 1243 O GLU A 82 -10.920 -4.130 0.290 1.00 55.22 O ATOM 1244 CB GLU A 82 -11.831 -6.045 3.140 1.00 33.33 C ATOM 1245 CG GLU A 82 -10.582 -6.913 2.839 1.00 52.32 C ATOM 1246 CD GLU A 82 -10.832 -8.007 1.786 1.00 3.21 C ATOM 1247 OE1 GLU A 82 -11.504 -9.001 2.122 1.00 64.01 O ATOM 1248 OE2 GLU A 82 -10.387 -7.863 0.619 1.00 3.34 O ATOM 0 H GLU A 82 -12.075 -6.361 0.252 1.00 33.22 H new ATOM 0 HA GLU A 82 -13.204 -4.581 2.324 1.00 11.12 H new ATOM 0 HB2 GLU A 82 -11.600 -5.391 3.981 1.00 33.33 H new ATOM 0 HB3 GLU A 82 -12.637 -6.704 3.461 1.00 33.33 H new ATOM 0 HG2 GLU A 82 -9.775 -6.266 2.495 1.00 52.32 H new ATOM 0 HG3 GLU A 82 -10.243 -7.381 3.763 1.00 52.32 H new ATOM 1255 N CYS A 83 -10.707 -3.402 2.436 1.00 35.32 N ATOM 1256 CA CYS A 83 -9.727 -2.337 2.138 1.00 62.12 C ATOM 1257 C CYS A 83 -8.774 -2.061 3.332 1.00 20.54 C ATOM 1258 O CYS A 83 -9.204 -2.017 4.490 1.00 54.12 O ATOM 1259 CB CYS A 83 -10.475 -1.052 1.746 1.00 43.42 C ATOM 1260 SG CYS A 83 -11.548 -0.383 3.039 1.00 44.34 S ATOM 0 H CYS A 83 -10.923 -3.494 3.429 1.00 35.32 H new ATOM 0 HA CYS A 83 -9.106 -2.676 1.309 1.00 62.12 H new ATOM 0 HB2 CYS A 83 -9.745 -0.292 1.469 1.00 43.42 H new ATOM 0 HB3 CYS A 83 -11.077 -1.253 0.860 1.00 43.42 H new ATOM 0 HG CYS A 83 -10.823 0.204 3.944 1.00 44.34 H new ATOM 1266 N ALA A 84 -7.471 -1.869 3.026 1.00 71.35 N ATOM 1267 CA ALA A 84 -6.406 -1.621 4.030 1.00 21.23 C ATOM 1268 C ALA A 84 -6.154 -0.105 4.213 1.00 21.41 C ATOM 1269 O ALA A 84 -6.058 0.637 3.231 1.00 23.21 O ATOM 1270 CB ALA A 84 -5.109 -2.332 3.601 1.00 1.12 C ATOM 0 H ALA A 84 -7.124 -1.882 2.067 1.00 71.35 H new ATOM 0 HA ALA A 84 -6.735 -2.023 4.988 1.00 21.23 H new ATOM 0 HB1 ALA A 84 -4.331 -2.147 4.341 1.00 1.12 H new ATOM 0 HB2 ALA A 84 -5.290 -3.404 3.525 1.00 1.12 H new ATOM 0 HB3 ALA A 84 -4.787 -1.949 2.633 1.00 1.12 H new ATOM 1276 N TYR A 85 -6.025 0.337 5.476 1.00 15.31 N ATOM 1277 CA TYR A 85 -5.898 1.773 5.833 1.00 41.51 C ATOM 1278 C TYR A 85 -4.447 2.112 6.255 1.00 32.10 C ATOM 1279 O TYR A 85 -3.774 1.307 6.901 1.00 22.41 O ATOM 1280 CB TYR A 85 -6.883 2.118 6.986 1.00 10.25 C ATOM 1281 CG TYR A 85 -8.316 1.605 6.758 1.00 50.23 C ATOM 1282 CD1 TYR A 85 -9.182 2.238 5.861 1.00 10.41 C ATOM 1283 CD2 TYR A 85 -8.793 0.463 7.417 1.00 12.32 C ATOM 1284 CE1 TYR A 85 -10.463 1.761 5.645 1.00 74.41 C ATOM 1285 CE2 TYR A 85 -10.071 -0.013 7.199 1.00 34.25 C ATOM 1286 CZ TYR A 85 -10.898 0.636 6.310 1.00 63.23 C ATOM 1287 OH TYR A 85 -12.178 0.161 6.095 1.00 75.23 O ATOM 0 H TYR A 85 -6.005 -0.286 6.283 1.00 15.31 H new ATOM 0 HA TYR A 85 -6.145 2.370 4.955 1.00 41.51 H new ATOM 0 HB2 TYR A 85 -6.500 1.696 7.916 1.00 10.25 H new ATOM 0 HB3 TYR A 85 -6.911 3.200 7.115 1.00 10.25 H new ATOM 0 HD1 TYR A 85 -8.845 3.115 5.327 1.00 10.41 H new ATOM 0 HD2 TYR A 85 -8.147 -0.056 8.110 1.00 12.32 H new ATOM 0 HE1 TYR A 85 -11.121 2.270 4.956 1.00 74.41 H new ATOM 0 HE2 TYR A 85 -10.420 -0.890 7.723 1.00 34.25 H new ATOM 0 HH TYR A 85 -12.276 -0.101 5.156 1.00 75.23 H new ATOM 1297 N PHE A 86 -3.969 3.305 5.868 1.00 22.14 N ATOM 1298 CA PHE A 86 -2.630 3.820 6.244 1.00 64.44 C ATOM 1299 C PHE A 86 -2.753 5.289 6.694 1.00 34.21 C ATOM 1300 O PHE A 86 -3.473 6.074 6.071 1.00 23.30 O ATOM 1301 CB PHE A 86 -1.631 3.716 5.055 1.00 73.11 C ATOM 1302 CG PHE A 86 -1.394 2.293 4.536 1.00 34.24 C ATOM 1303 CD1 PHE A 86 -2.239 1.727 3.575 1.00 71.42 C ATOM 1304 CD2 PHE A 86 -0.332 1.522 5.010 1.00 4.25 C ATOM 1305 CE1 PHE A 86 -2.029 0.444 3.113 1.00 14.43 C ATOM 1306 CE2 PHE A 86 -0.124 0.239 4.542 1.00 70.22 C ATOM 1307 CZ PHE A 86 -0.973 -0.298 3.596 1.00 14.04 C ATOM 0 H PHE A 86 -4.500 3.949 5.281 1.00 22.14 H new ATOM 0 HA PHE A 86 -2.245 3.212 7.063 1.00 64.44 H new ATOM 0 HB2 PHE A 86 -2.000 4.330 4.234 1.00 73.11 H new ATOM 0 HB3 PHE A 86 -0.675 4.139 5.364 1.00 73.11 H new ATOM 0 HD1 PHE A 86 -3.067 2.303 3.189 1.00 71.42 H new ATOM 0 HD2 PHE A 86 0.336 1.934 5.752 1.00 4.25 H new ATOM 0 HE1 PHE A 86 -2.692 0.021 2.373 1.00 14.43 H new ATOM 0 HE2 PHE A 86 0.704 -0.344 4.917 1.00 70.22 H new ATOM 0 HZ PHE A 86 -0.810 -1.302 3.233 1.00 14.04 H new ATOM 1317 N THR A 87 -2.049 5.652 7.779 1.00 13.51 N ATOM 1318 CA THR A 87 -2.054 7.026 8.331 1.00 72.53 C ATOM 1319 C THR A 87 -0.605 7.558 8.407 1.00 11.33 C ATOM 1320 O THR A 87 0.177 7.134 9.256 1.00 51.32 O ATOM 1321 CB THR A 87 -2.730 7.065 9.749 1.00 33.45 C ATOM 1322 OG1 THR A 87 -4.092 6.591 9.664 1.00 54.43 O ATOM 1323 CG2 THR A 87 -2.726 8.479 10.359 1.00 40.22 C ATOM 0 H THR A 87 -1.459 5.005 8.301 1.00 13.51 H new ATOM 0 HA THR A 87 -2.638 7.665 7.669 1.00 72.53 H new ATOM 0 HB THR A 87 -2.144 6.415 10.399 1.00 33.45 H new ATOM 0 HG1 THR A 87 -4.504 6.618 10.553 1.00 54.43 H new ATOM 0 HG21 THR A 87 -3.204 8.454 11.338 1.00 40.22 H new ATOM 0 HG22 THR A 87 -1.698 8.826 10.465 1.00 40.22 H new ATOM 0 HG23 THR A 87 -3.273 9.159 9.706 1.00 40.22 H new ATOM 1331 N VAL A 88 -0.253 8.472 7.489 1.00 31.33 N ATOM 1332 CA VAL A 88 1.098 9.074 7.410 1.00 4.33 C ATOM 1333 C VAL A 88 1.075 10.523 7.964 1.00 32.31 C ATOM 1334 O VAL A 88 0.332 11.378 7.468 1.00 70.31 O ATOM 1335 CB VAL A 88 1.636 9.048 5.928 1.00 3.11 C ATOM 1336 CG1 VAL A 88 3.038 9.698 5.805 1.00 21.11 C ATOM 1337 CG2 VAL A 88 1.646 7.598 5.377 1.00 20.23 C ATOM 0 H VAL A 88 -0.895 8.819 6.776 1.00 31.33 H new ATOM 0 HA VAL A 88 1.777 8.482 8.024 1.00 4.33 H new ATOM 0 HB VAL A 88 0.954 9.645 5.323 1.00 3.11 H new ATOM 0 HG11 VAL A 88 3.368 9.657 4.767 1.00 21.11 H new ATOM 0 HG12 VAL A 88 2.987 10.737 6.129 1.00 21.11 H new ATOM 0 HG13 VAL A 88 3.746 9.157 6.432 1.00 21.11 H new ATOM 0 HG21 VAL A 88 2.020 7.600 4.353 1.00 20.23 H new ATOM 0 HG22 VAL A 88 2.292 6.977 5.998 1.00 20.23 H new ATOM 0 HG23 VAL A 88 0.633 7.196 5.392 1.00 20.23 H new ATOM 1347 N THR A 89 1.895 10.781 8.999 1.00 70.12 N ATOM 1348 CA THR A 89 1.986 12.097 9.677 1.00 51.42 C ATOM 1349 C THR A 89 3.284 12.834 9.281 1.00 22.42 C ATOM 1350 O THR A 89 4.384 12.301 9.458 1.00 72.55 O ATOM 1351 CB THR A 89 1.932 11.921 11.234 1.00 21.54 C ATOM 1352 OG1 THR A 89 0.655 11.377 11.609 1.00 21.42 O ATOM 1353 CG2 THR A 89 2.165 13.237 12.004 1.00 2.15 C ATOM 0 H THR A 89 2.520 10.079 9.395 1.00 70.12 H new ATOM 0 HA THR A 89 1.133 12.695 9.357 1.00 51.42 H new ATOM 0 HB THR A 89 2.743 11.244 11.503 1.00 21.54 H new ATOM 0 HG1 THR A 89 0.788 10.547 12.112 1.00 21.42 H new ATOM 0 HG21 THR A 89 2.115 13.045 13.076 1.00 2.15 H new ATOM 0 HG22 THR A 89 3.147 13.637 11.753 1.00 2.15 H new ATOM 0 HG23 THR A 89 1.398 13.960 11.729 1.00 2.15 H new ATOM 1361 N ILE A 90 3.138 14.071 8.754 1.00 72.04 N ATOM 1362 CA ILE A 90 4.276 14.943 8.362 1.00 41.20 C ATOM 1363 C ILE A 90 4.241 16.266 9.149 1.00 1.14 C ATOM 1364 O ILE A 90 4.126 16.282 10.378 1.00 11.14 O ATOM 1365 CB ILE A 90 4.260 15.237 6.808 1.00 74.22 C ATOM 1366 CG1 ILE A 90 4.211 13.893 6.009 1.00 13.34 C ATOM 1367 CG2 ILE A 90 5.473 16.105 6.367 1.00 54.32 C ATOM 1368 CD1 ILE A 90 4.273 14.026 4.503 1.00 14.11 C ATOM 0 H ILE A 90 2.226 14.497 8.587 1.00 72.04 H new ATOM 0 HA ILE A 90 5.198 14.414 8.602 1.00 41.20 H new ATOM 0 HB ILE A 90 3.362 15.813 6.585 1.00 74.22 H new ATOM 0 HG12 ILE A 90 5.041 13.267 6.335 1.00 13.34 H new ATOM 0 HG13 ILE A 90 3.293 13.368 6.272 1.00 13.34 H new ATOM 0 HG21 ILE A 90 5.422 16.282 5.293 1.00 54.32 H new ATOM 0 HG22 ILE A 90 5.449 17.059 6.894 1.00 54.32 H new ATOM 0 HG23 ILE A 90 6.400 15.583 6.605 1.00 54.32 H new ATOM 0 HD11 ILE A 90 4.232 13.036 4.048 1.00 14.11 H new ATOM 0 HD12 ILE A 90 3.428 14.620 4.155 1.00 14.11 H new ATOM 0 HD13 ILE A 90 5.204 14.517 4.219 1.00 14.11 H new