USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 679 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 60 THR OG1 : rot -28:sc= 0.297 USER MOD Set 1.2: A 63 GLN : amide:sc= -3.53 K(o=-3.8,f=-5.3!) USER MOD Set 1.3: A 70 TYR OH : rot 180:sc= -0.572 USER MOD Set 2.1: A 9 THR OG1 : rot 150:sc= -0.123 USER MOD Set 2.2: A 10 SER OG : rot 180:sc= -1.12 USER MOD Set 2.3: A 12 THR OG1 : rot -48:sc= 0.436 USER MOD Set 2.4: A 41 SER OG : rot 130:sc= 0.0675 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 140:sc= -0.622 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.377 K(o=-0.38,f=-1.9) USER MOD Single : A 21 GLN : amide:sc= 0.422 X(o=0.42,f=-0.0053) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -97:sc= 0.275 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -1.43 X(o=-1.4,f=-1.4) USER MOD Single : A 35 TYR OH : rot 150:sc= -0.107 USER MOD Single : A 36 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.62) USER MOD Single : A 42 GLN : amide:sc= -0.0792 X(o=-0.079,f=0) USER MOD Single : A 44 ASN : amide:sc=-0.00347 K(o=-0.0035,f=-1) USER MOD Single : A 50 MET CE :methyl 138:sc= -1.75 (180deg=-3.45!) USER MOD Single : A 56 ASN : amide:sc= -3.96! C(o=-4!,f=-4.2!) USER MOD Single : A 58 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00279) USER MOD Single : A 66 ASN : amide:sc= -0.298 X(o=-0.3,f=-0.028) USER MOD Single : A 69 GLN : amide:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A 71 CYS SG : rot -89:sc= 0.792 USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= -0.436 X(o=-0.44,f=-0.44) USER MOD Single : A 85 THR OG1 : rot 180:sc= -1.34 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 38 N LEU A 4 10.321 1.528 -1.675 1.00 0.00 N ATOM 39 CA LEU A 4 8.937 1.073 -1.608 1.00 0.00 C ATOM 40 C LEU A 4 8.197 1.774 -0.474 1.00 0.00 C ATOM 41 O LEU A 4 8.504 1.568 0.700 1.00 0.00 O ATOM 42 CB LEU A 4 8.885 -0.445 -1.409 1.00 0.00 C ATOM 43 CG LEU A 4 8.648 -1.257 -2.683 1.00 0.00 C ATOM 44 CD1 LEU A 4 8.827 -2.742 -2.409 1.00 0.00 C ATOM 45 CD2 LEU A 4 7.260 -0.979 -3.241 1.00 0.00 C ATOM 0 HA LEU A 4 8.448 1.322 -2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.823 -0.769 -0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.093 -0.676 -0.697 1.00 0.00 H new ATOM 0 HG LEU A 4 9.384 -0.954 -3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.655 -3.305 -3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.841 -2.927 -2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.114 -3.060 -1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.108 -1.565 -4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.509 -1.254 -2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.168 0.082 -3.475 1.00 0.00 H new ATOM 57 N ARG A 5 7.225 2.607 -0.831 1.00 0.00 N ATOM 58 CA ARG A 5 6.451 3.341 0.163 1.00 0.00 C ATOM 59 C ARG A 5 4.975 2.967 0.104 1.00 0.00 C ATOM 60 O ARG A 5 4.284 3.268 -0.870 1.00 0.00 O ATOM 61 CB ARG A 5 6.617 4.848 -0.040 1.00 0.00 C ATOM 62 CG ARG A 5 6.277 5.317 -1.447 1.00 0.00 C ATOM 63 CD ARG A 5 7.406 6.139 -2.050 1.00 0.00 C ATOM 64 NE ARG A 5 7.444 7.496 -1.509 1.00 0.00 N ATOM 65 CZ ARG A 5 8.521 8.279 -1.544 1.00 0.00 C ATOM 66 NH1 ARG A 5 9.648 7.846 -2.094 1.00 0.00 N ATOM 67 NH2 ARG A 5 8.469 9.499 -1.027 1.00 0.00 N ATOM 0 H ARG A 5 6.955 2.790 -1.798 1.00 0.00 H new ATOM 0 HA ARG A 5 6.831 3.068 1.148 1.00 0.00 H new ATOM 0 HB2 ARG A 5 5.981 5.374 0.672 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.647 5.125 0.187 1.00 0.00 H new ATOM 0 HG2 ARG A 5 6.076 4.453 -2.081 1.00 0.00 H new ATOM 0 HG3 ARG A 5 5.365 5.913 -1.422 1.00 0.00 H new ATOM 0 HD2 ARG A 5 8.358 5.645 -1.856 1.00 0.00 H new ATOM 0 HD3 ARG A 5 7.284 6.183 -3.132 1.00 0.00 H new ATOM 0 HE ARG A 5 6.596 7.865 -1.079 1.00 0.00 H new ATOM 0 HH11 ARG A 5 9.693 6.909 -2.493 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.469 8.451 -2.118 1.00 0.00 H new ATOM 0 HH21 ARG A 5 7.605 9.837 -0.603 1.00 0.00 H new ATOM 0 HH22 ARG A 5 9.293 10.100 -1.053 1.00 0.00 H new ATOM 81 N VAL A 6 4.496 2.316 1.159 1.00 0.00 N ATOM 82 CA VAL A 6 3.100 1.907 1.238 1.00 0.00 C ATOM 83 C VAL A 6 2.296 2.898 2.072 1.00 0.00 C ATOM 84 O VAL A 6 2.653 3.198 3.211 1.00 0.00 O ATOM 85 CB VAL A 6 2.957 0.501 1.852 1.00 0.00 C ATOM 86 CG1 VAL A 6 1.519 0.018 1.754 1.00 0.00 C ATOM 87 CG2 VAL A 6 3.904 -0.476 1.172 1.00 0.00 C ATOM 0 H VAL A 6 5.056 2.060 1.972 1.00 0.00 H new ATOM 0 HA VAL A 6 2.714 1.886 0.219 1.00 0.00 H new ATOM 0 HB VAL A 6 3.224 0.556 2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.439 -0.976 2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.867 0.706 2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.219 -0.022 0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.790 -1.464 1.618 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.670 -0.529 0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.932 -0.136 1.301 1.00 0.00 H new ATOM 97 N TYR A 7 1.215 3.412 1.496 1.00 0.00 N ATOM 98 CA TYR A 7 0.369 4.377 2.188 1.00 0.00 C ATOM 99 C TYR A 7 -0.572 3.684 3.164 1.00 0.00 C ATOM 100 O TYR A 7 -0.986 2.546 2.945 1.00 0.00 O ATOM 101 CB TYR A 7 -0.433 5.201 1.180 1.00 0.00 C ATOM 102 CG TYR A 7 0.353 6.339 0.567 1.00 0.00 C ATOM 103 CD1 TYR A 7 1.094 6.151 -0.592 1.00 0.00 C ATOM 104 CD2 TYR A 7 0.353 7.600 1.150 1.00 0.00 C ATOM 105 CE1 TYR A 7 1.814 7.189 -1.154 1.00 0.00 C ATOM 106 CE2 TYR A 7 1.070 8.642 0.594 1.00 0.00 C ATOM 107 CZ TYR A 7 1.798 8.432 -0.558 1.00 0.00 C ATOM 108 OH TYR A 7 2.513 9.467 -1.115 1.00 0.00 O ATOM 0 H TYR A 7 0.904 3.177 0.553 1.00 0.00 H new ATOM 0 HA TYR A 7 1.017 5.044 2.756 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.786 4.544 0.385 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.316 5.605 1.675 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.108 5.179 -1.062 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.216 7.768 2.052 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.386 7.027 -2.056 1.00 0.00 H new ATOM 0 HE2 TYR A 7 1.060 9.616 1.060 1.00 0.00 H new ATOM 0 HH TYR A 7 2.395 10.275 -0.573 1.00 0.00 H new ATOM 118 N SER A 8 -0.904 4.382 4.245 1.00 0.00 N ATOM 119 CA SER A 8 -1.797 3.838 5.261 1.00 0.00 C ATOM 120 C SER A 8 -2.457 4.955 6.063 1.00 0.00 C ATOM 121 O SER A 8 -2.211 6.136 5.819 1.00 0.00 O ATOM 122 CB SER A 8 -1.027 2.905 6.199 1.00 0.00 C ATOM 123 OG SER A 8 -1.734 1.694 6.408 1.00 0.00 O ATOM 0 H SER A 8 -0.568 5.325 4.440 1.00 0.00 H new ATOM 0 HA SER A 8 -2.578 3.270 4.756 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.046 2.689 5.777 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.860 3.402 7.155 1.00 0.00 H new ATOM 0 HG SER A 8 -1.220 1.115 7.009 1.00 0.00 H new ATOM 129 N THR A 9 -3.295 4.573 7.022 1.00 0.00 N ATOM 130 CA THR A 9 -3.990 5.542 7.861 1.00 0.00 C ATOM 131 C THR A 9 -3.895 5.153 9.333 1.00 0.00 C ATOM 132 O THR A 9 -4.471 4.152 9.759 1.00 0.00 O ATOM 133 CB THR A 9 -5.457 5.650 7.442 1.00 0.00 C ATOM 134 OG1 THR A 9 -6.202 6.374 8.405 1.00 0.00 O ATOM 135 CG2 THR A 9 -6.128 4.306 7.257 1.00 0.00 C ATOM 0 H THR A 9 -3.509 3.599 7.237 1.00 0.00 H new ATOM 0 HA THR A 9 -3.510 6.512 7.729 1.00 0.00 H new ATOM 0 HB THR A 9 -5.445 6.167 6.482 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.942 6.841 7.963 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.166 4.455 6.960 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.607 3.743 6.483 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.095 3.751 8.194 1.00 0.00 H new ATOM 143 N SER A 10 -3.164 5.951 10.105 1.00 0.00 N ATOM 144 CA SER A 10 -2.993 5.689 11.530 1.00 0.00 C ATOM 145 C SER A 10 -4.312 5.855 12.277 1.00 0.00 C ATOM 146 O SER A 10 -4.853 4.894 12.823 1.00 0.00 O ATOM 147 CB SER A 10 -1.938 6.628 12.118 1.00 0.00 C ATOM 148 OG SER A 10 -2.365 7.978 12.057 1.00 0.00 O ATOM 0 H SER A 10 -2.681 6.784 9.768 1.00 0.00 H new ATOM 0 HA SER A 10 -2.659 4.658 11.647 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.739 6.353 13.154 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.001 6.515 11.572 1.00 0.00 H new ATOM 0 HG SER A 10 -1.674 8.557 12.440 1.00 0.00 H new ATOM 154 N VAL A 11 -4.825 7.081 12.297 1.00 0.00 N ATOM 155 CA VAL A 11 -6.081 7.374 12.977 1.00 0.00 C ATOM 156 C VAL A 11 -7.223 6.545 12.399 1.00 0.00 C ATOM 157 O VAL A 11 -7.909 5.824 13.124 1.00 0.00 O ATOM 158 CB VAL A 11 -6.442 8.869 12.874 1.00 0.00 C ATOM 159 CG1 VAL A 11 -7.672 9.183 13.712 1.00 0.00 C ATOM 160 CG2 VAL A 11 -5.264 9.734 13.300 1.00 0.00 C ATOM 0 H VAL A 11 -4.390 7.888 11.850 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.941 7.115 14.026 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.673 9.095 11.833 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.910 10.243 13.626 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.515 8.591 13.356 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.473 8.940 14.756 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.538 10.786 13.221 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.999 9.505 14.332 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.411 9.531 12.653 1.00 0.00 H new ATOM 170 N THR A 12 -7.420 6.651 11.089 1.00 0.00 N ATOM 171 CA THR A 12 -8.479 5.910 10.413 1.00 0.00 C ATOM 172 C THR A 12 -9.848 6.287 10.971 1.00 0.00 C ATOM 173 O THR A 12 -10.230 5.848 12.056 1.00 0.00 O ATOM 174 CB THR A 12 -8.251 4.405 10.562 1.00 0.00 C ATOM 175 OG1 THR A 12 -6.877 4.124 10.762 1.00 0.00 O ATOM 176 CG2 THR A 12 -8.712 3.609 9.361 1.00 0.00 C ATOM 0 H THR A 12 -6.861 7.242 10.475 1.00 0.00 H new ATOM 0 HA THR A 12 -8.454 6.171 9.355 1.00 0.00 H new ATOM 0 HB THR A 12 -8.845 4.106 11.426 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.344 4.608 10.097 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.521 2.549 9.532 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.780 3.766 9.209 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.167 3.937 8.476 1.00 0.00 H new ATOM 184 N GLY A 13 -10.583 7.102 10.221 1.00 0.00 N ATOM 185 CA GLY A 13 -11.901 7.523 10.656 1.00 0.00 C ATOM 186 C GLY A 13 -12.966 6.482 10.371 1.00 0.00 C ATOM 187 O GLY A 13 -13.971 6.403 11.078 1.00 0.00 O ATOM 0 H GLY A 13 -10.289 7.478 9.320 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.878 7.731 11.726 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.165 8.455 10.156 1.00 0.00 H new ATOM 191 N SER A 14 -12.747 5.682 9.333 1.00 0.00 N ATOM 192 CA SER A 14 -13.696 4.641 8.956 1.00 0.00 C ATOM 193 C SER A 14 -13.566 3.429 9.872 1.00 0.00 C ATOM 194 O SER A 14 -12.666 3.364 10.709 1.00 0.00 O ATOM 195 CB SER A 14 -13.474 4.222 7.502 1.00 0.00 C ATOM 196 OG SER A 14 -14.332 3.154 7.141 1.00 0.00 O ATOM 0 H SER A 14 -11.920 5.735 8.738 1.00 0.00 H new ATOM 0 HA SER A 14 -14.702 5.046 9.060 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.651 5.073 6.844 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.436 3.921 7.362 1.00 0.00 H new ATOM 0 HG SER A 14 -14.667 3.297 6.231 1.00 0.00 H new ATOM 202 N ARG A 15 -14.473 2.470 9.709 1.00 0.00 N ATOM 203 CA ARG A 15 -14.460 1.257 10.524 1.00 0.00 C ATOM 204 C ARG A 15 -14.113 0.032 9.697 1.00 0.00 C ATOM 205 O ARG A 15 -13.801 -1.034 10.228 1.00 0.00 O ATOM 206 CB ARG A 15 -15.814 1.060 11.197 1.00 0.00 C ATOM 207 CG ARG A 15 -15.793 0.043 12.326 1.00 0.00 C ATOM 208 CD ARG A 15 -17.168 -0.563 12.555 1.00 0.00 C ATOM 209 NE ARG A 15 -17.208 -1.393 13.757 1.00 0.00 N ATOM 210 CZ ARG A 15 -17.246 -0.905 14.994 1.00 0.00 C ATOM 211 NH1 ARG A 15 -17.251 0.407 15.198 1.00 0.00 N ATOM 212 NH2 ARG A 15 -17.281 -1.730 16.032 1.00 0.00 N ATOM 0 H ARG A 15 -15.225 2.508 9.021 1.00 0.00 H new ATOM 0 HA ARG A 15 -13.690 1.379 11.286 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.158 2.017 11.589 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -16.539 0.743 10.448 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.080 -0.748 12.092 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -15.448 0.522 13.242 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -17.906 0.235 12.641 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -17.448 -1.164 11.690 1.00 0.00 H new ATOM 0 HE ARG A 15 -17.207 -2.406 13.641 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -17.226 1.047 14.404 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -17.280 0.775 16.149 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -17.279 -2.739 15.882 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -17.310 -1.356 16.980 1.00 0.00 H new ATOM 226 N GLU A 16 -14.170 0.207 8.401 1.00 0.00 N ATOM 227 CA GLU A 16 -13.863 -0.860 7.456 1.00 0.00 C ATOM 228 C GLU A 16 -12.448 -0.703 6.912 1.00 0.00 C ATOM 229 O GLU A 16 -11.761 -1.688 6.639 1.00 0.00 O ATOM 230 CB GLU A 16 -14.870 -0.857 6.304 1.00 0.00 C ATOM 231 CG GLU A 16 -16.314 -0.723 6.759 1.00 0.00 C ATOM 232 CD GLU A 16 -17.255 -1.623 5.983 1.00 0.00 C ATOM 233 OE1 GLU A 16 -17.223 -2.851 6.209 1.00 0.00 O ATOM 234 OE2 GLU A 16 -18.025 -1.100 5.150 1.00 0.00 O ATOM 0 H GLU A 16 -14.430 1.090 7.962 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.931 -1.813 7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.633 -0.036 5.628 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.761 -1.780 5.735 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -16.380 -0.963 7.820 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -16.632 0.313 6.646 1.00 0.00 H new ATOM 241 N ILE A 17 -12.020 0.546 6.759 1.00 0.00 N ATOM 242 CA ILE A 17 -10.687 0.843 6.251 1.00 0.00 C ATOM 243 C ILE A 17 -9.613 0.248 7.157 1.00 0.00 C ATOM 244 O ILE A 17 -8.544 -0.146 6.691 1.00 0.00 O ATOM 245 CB ILE A 17 -10.465 2.364 6.128 1.00 0.00 C ATOM 246 CG1 ILE A 17 -11.543 2.986 5.239 1.00 0.00 C ATOM 247 CG2 ILE A 17 -9.079 2.661 5.574 1.00 0.00 C ATOM 248 CD1 ILE A 17 -11.427 4.489 5.110 1.00 0.00 C ATOM 0 H ILE A 17 -12.579 1.370 6.980 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.610 0.393 5.261 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.536 2.806 7.122 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.487 2.539 4.247 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.524 2.739 5.645 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.942 3.739 5.495 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.324 2.247 6.242 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.977 2.209 4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.223 4.861 4.466 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.514 4.947 6.096 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.460 4.743 4.676 1.00 0.00 H new ATOM 260 N LYS A 18 -9.905 0.188 8.452 1.00 0.00 N ATOM 261 CA LYS A 18 -8.964 -0.360 9.422 1.00 0.00 C ATOM 262 C LYS A 18 -8.706 -1.839 9.155 1.00 0.00 C ATOM 263 O LYS A 18 -7.621 -2.350 9.434 1.00 0.00 O ATOM 264 CB LYS A 18 -9.498 -0.171 10.843 1.00 0.00 C ATOM 265 CG LYS A 18 -9.863 1.268 11.170 1.00 0.00 C ATOM 266 CD LYS A 18 -10.830 1.345 12.341 1.00 0.00 C ATOM 267 CE LYS A 18 -10.656 2.638 13.122 1.00 0.00 C ATOM 268 NZ LYS A 18 -11.661 2.768 14.212 1.00 0.00 N ATOM 0 H LYS A 18 -10.785 0.512 8.854 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.021 0.178 9.321 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.378 -0.800 10.978 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.747 -0.517 11.553 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.959 1.829 11.406 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.311 1.739 10.295 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.854 1.275 11.974 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.670 0.494 13.003 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.653 2.673 13.547 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.745 3.487 12.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.508 3.662 14.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.618 2.760 13.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.560 1.972 14.874 1.00 0.00 H new ATOM 282 N SER A 19 -9.709 -2.522 8.614 1.00 0.00 N ATOM 283 CA SER A 19 -9.590 -3.943 8.309 1.00 0.00 C ATOM 284 C SER A 19 -8.794 -4.161 7.026 1.00 0.00 C ATOM 285 O SER A 19 -8.116 -5.177 6.870 1.00 0.00 O ATOM 286 CB SER A 19 -10.977 -4.575 8.175 1.00 0.00 C ATOM 287 OG SER A 19 -11.670 -4.552 9.411 1.00 0.00 O ATOM 0 H SER A 19 -10.614 -2.114 8.378 1.00 0.00 H new ATOM 0 HA SER A 19 -9.057 -4.421 9.131 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.553 -4.038 7.421 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.879 -5.604 7.828 1.00 0.00 H new ATOM 0 HG SER A 19 -12.554 -4.960 9.298 1.00 0.00 H new ATOM 293 N GLN A 20 -8.880 -3.201 6.110 1.00 0.00 N ATOM 294 CA GLN A 20 -8.167 -3.289 4.841 1.00 0.00 C ATOM 295 C GLN A 20 -6.660 -3.187 5.055 1.00 0.00 C ATOM 296 O GLN A 20 -5.896 -4.020 4.567 1.00 0.00 O ATOM 297 CB GLN A 20 -8.634 -2.186 3.890 1.00 0.00 C ATOM 298 CG GLN A 20 -10.145 -2.018 3.844 1.00 0.00 C ATOM 299 CD GLN A 20 -10.870 -3.321 3.572 1.00 0.00 C ATOM 300 OE1 GLN A 20 -10.300 -4.256 3.009 1.00 0.00 O ATOM 301 NE2 GLN A 20 -12.135 -3.389 3.969 1.00 0.00 N ATOM 0 H GLN A 20 -9.436 -2.354 6.223 1.00 0.00 H new ATOM 0 HA GLN A 20 -8.388 -4.259 4.396 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.181 -1.242 4.193 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -8.271 -2.406 2.886 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.490 -1.606 4.792 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.403 -1.295 3.070 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.568 -2.590 4.432 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.674 -4.240 3.811 1.00 0.00 H new ATOM 310 N GLN A 21 -6.240 -2.161 5.787 1.00 0.00 N ATOM 311 CA GLN A 21 -4.824 -1.949 6.065 1.00 0.00 C ATOM 312 C GLN A 21 -4.230 -3.142 6.807 1.00 0.00 C ATOM 313 O GLN A 21 -3.096 -3.545 6.546 1.00 0.00 O ATOM 314 CB GLN A 21 -4.631 -0.674 6.889 1.00 0.00 C ATOM 315 CG GLN A 21 -5.568 -0.573 8.081 1.00 0.00 C ATOM 316 CD GLN A 21 -5.146 0.501 9.064 1.00 0.00 C ATOM 317 OE1 GLN A 21 -5.207 0.307 10.278 1.00 0.00 O ATOM 318 NE2 GLN A 21 -4.714 1.644 8.543 1.00 0.00 N ATOM 0 H GLN A 21 -6.860 -1.463 6.199 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.304 -1.841 5.113 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.601 -0.632 7.243 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.782 0.192 6.244 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.577 -0.361 7.728 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.604 -1.535 8.593 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.680 1.762 7.530 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.416 2.403 9.155 1.00 0.00 H new ATOM 327 N SER A 22 -5.002 -3.702 7.731 1.00 0.00 N ATOM 328 CA SER A 22 -4.553 -4.849 8.512 1.00 0.00 C ATOM 329 C SER A 22 -4.210 -6.026 7.604 1.00 0.00 C ATOM 330 O SER A 22 -3.245 -6.751 7.848 1.00 0.00 O ATOM 331 CB SER A 22 -5.630 -5.262 9.517 1.00 0.00 C ATOM 332 OG SER A 22 -5.440 -4.616 10.763 1.00 0.00 O ATOM 0 H SER A 22 -5.943 -3.380 7.958 1.00 0.00 H new ATOM 0 HA SER A 22 -3.653 -4.557 9.054 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.615 -5.014 9.122 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.606 -6.343 9.657 1.00 0.00 H new ATOM 0 HG SER A 22 -6.142 -4.896 11.387 1.00 0.00 H new ATOM 338 N GLU A 23 -5.007 -6.211 6.557 1.00 0.00 N ATOM 339 CA GLU A 23 -4.788 -7.301 5.613 1.00 0.00 C ATOM 340 C GLU A 23 -3.426 -7.172 4.937 1.00 0.00 C ATOM 341 O GLU A 23 -2.588 -8.069 5.030 1.00 0.00 O ATOM 342 CB GLU A 23 -5.895 -7.320 4.558 1.00 0.00 C ATOM 343 CG GLU A 23 -6.324 -8.721 4.152 1.00 0.00 C ATOM 344 CD GLU A 23 -6.968 -9.486 5.292 1.00 0.00 C ATOM 345 OE1 GLU A 23 -6.225 -10.080 6.102 1.00 0.00 O ATOM 346 OE2 GLU A 23 -8.214 -9.491 5.375 1.00 0.00 O ATOM 0 H GLU A 23 -5.810 -5.621 6.341 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.809 -8.239 6.169 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.761 -6.781 4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.552 -6.783 3.673 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.026 -8.656 3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.456 -9.273 3.793 1.00 0.00 H new ATOM 353 N VAL A 24 -3.213 -6.049 4.258 1.00 0.00 N ATOM 354 CA VAL A 24 -1.953 -5.802 3.565 1.00 0.00 C ATOM 355 C VAL A 24 -0.771 -5.890 4.526 1.00 0.00 C ATOM 356 O VAL A 24 0.250 -6.502 4.214 1.00 0.00 O ATOM 357 CB VAL A 24 -1.946 -4.419 2.886 1.00 0.00 C ATOM 358 CG1 VAL A 24 -0.704 -4.251 2.023 1.00 0.00 C ATOM 359 CG2 VAL A 24 -3.211 -4.220 2.061 1.00 0.00 C ATOM 0 H VAL A 24 -3.896 -5.296 4.173 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.856 -6.573 2.801 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.924 -3.655 3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.718 -3.268 1.552 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.186 -4.343 2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.689 -5.022 1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.187 -3.238 1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.269 -4.990 1.292 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.084 -4.290 2.710 1.00 0.00 H new ATOM 369 N THR A 25 -0.918 -5.275 5.695 1.00 0.00 N ATOM 370 CA THR A 25 0.137 -5.285 6.701 1.00 0.00 C ATOM 371 C THR A 25 0.366 -6.696 7.235 1.00 0.00 C ATOM 372 O THR A 25 1.479 -7.050 7.623 1.00 0.00 O ATOM 373 CB THR A 25 -0.219 -4.344 7.853 1.00 0.00 C ATOM 374 OG1 THR A 25 -1.568 -4.522 8.248 1.00 0.00 O ATOM 375 CG2 THR A 25 -0.031 -2.881 7.511 1.00 0.00 C ATOM 0 H THR A 25 -1.757 -4.764 5.969 1.00 0.00 H new ATOM 0 HA THR A 25 1.057 -4.940 6.230 1.00 0.00 H new ATOM 0 HB THR A 25 0.467 -4.604 8.660 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.127 -3.841 7.819 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.301 -2.269 8.371 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.011 -2.700 7.249 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.668 -2.620 6.666 1.00 0.00 H new ATOM 383 N ARG A 26 -0.695 -7.497 7.250 1.00 0.00 N ATOM 384 CA ARG A 26 -0.609 -8.870 7.736 1.00 0.00 C ATOM 385 C ARG A 26 0.404 -9.672 6.925 1.00 0.00 C ATOM 386 O ARG A 26 1.291 -10.317 7.484 1.00 0.00 O ATOM 387 CB ARG A 26 -1.984 -9.541 7.672 1.00 0.00 C ATOM 388 CG ARG A 26 -2.601 -9.793 9.038 1.00 0.00 C ATOM 389 CD ARG A 26 -4.088 -10.091 8.932 1.00 0.00 C ATOM 390 NE ARG A 26 -4.353 -11.522 8.803 1.00 0.00 N ATOM 391 CZ ARG A 26 -4.345 -12.372 9.827 1.00 0.00 C ATOM 392 NH1 ARG A 26 -4.087 -11.941 11.055 1.00 0.00 N ATOM 393 NH2 ARG A 26 -4.596 -13.658 9.622 1.00 0.00 N ATOM 0 H ARG A 26 -1.623 -7.219 6.932 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.274 -8.844 8.773 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.658 -8.915 7.088 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.892 -10.490 7.143 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -2.095 -10.630 9.518 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.448 -8.921 9.674 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.598 -9.706 9.815 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.502 -9.567 8.071 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.556 -11.891 7.874 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.893 -10.953 11.219 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.082 -12.598 11.836 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -4.795 -13.995 8.680 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.590 -14.310 10.406 1.00 0.00 H new ATOM 407 N ILE A 27 0.266 -9.628 5.603 1.00 0.00 N ATOM 408 CA ILE A 27 1.170 -10.350 4.716 1.00 0.00 C ATOM 409 C ILE A 27 2.573 -9.753 4.756 1.00 0.00 C ATOM 410 O ILE A 27 3.567 -10.468 4.630 1.00 0.00 O ATOM 411 CB ILE A 27 0.659 -10.340 3.262 1.00 0.00 C ATOM 412 CG1 ILE A 27 -0.806 -10.782 3.208 1.00 0.00 C ATOM 413 CG2 ILE A 27 1.523 -11.240 2.390 1.00 0.00 C ATOM 414 CD1 ILE A 27 -1.770 -9.647 2.941 1.00 0.00 C ATOM 0 H ILE A 27 -0.463 -9.100 5.123 1.00 0.00 H new ATOM 0 HA ILE A 27 1.207 -11.380 5.072 1.00 0.00 H new ATOM 0 HB ILE A 27 0.725 -9.322 2.877 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.921 -11.536 2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.069 -11.257 4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.149 -11.222 1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.553 -10.883 2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.487 -12.260 2.772 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.789 -10.033 2.916 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.683 -8.902 3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.533 -9.186 1.982 1.00 0.00 H new ATOM 426 N LEU A 28 2.646 -8.438 4.932 1.00 0.00 N ATOM 427 CA LEU A 28 3.928 -7.745 4.989 1.00 0.00 C ATOM 428 C LEU A 28 4.651 -8.048 6.297 1.00 0.00 C ATOM 429 O LEU A 28 5.859 -8.292 6.309 1.00 0.00 O ATOM 430 CB LEU A 28 3.722 -6.236 4.846 1.00 0.00 C ATOM 431 CG LEU A 28 3.278 -5.772 3.458 1.00 0.00 C ATOM 432 CD1 LEU A 28 2.498 -4.470 3.553 1.00 0.00 C ATOM 433 CD2 LEU A 28 4.482 -5.609 2.542 1.00 0.00 C ATOM 0 H LEU A 28 1.833 -7.831 5.038 1.00 0.00 H new ATOM 0 HA LEU A 28 4.543 -8.101 4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.978 -5.916 5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.654 -5.732 5.100 1.00 0.00 H new ATOM 0 HG LEU A 28 2.623 -6.533 3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.191 -4.156 2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.615 -4.619 4.174 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.128 -3.700 3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.149 -5.278 1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.162 -4.868 2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.999 -6.564 2.448 1.00 0.00 H new ATOM 445 N ASP A 29 3.904 -8.033 7.396 1.00 0.00 N ATOM 446 CA ASP A 29 4.472 -8.308 8.711 1.00 0.00 C ATOM 447 C ASP A 29 4.990 -9.740 8.787 1.00 0.00 C ATOM 448 O ASP A 29 6.137 -9.976 9.168 1.00 0.00 O ATOM 449 CB ASP A 29 3.425 -8.072 9.801 1.00 0.00 C ATOM 450 CG ASP A 29 4.044 -7.611 11.106 1.00 0.00 C ATOM 451 OD1 ASP A 29 4.290 -6.395 11.249 1.00 0.00 O ATOM 452 OD2 ASP A 29 4.281 -8.466 11.986 1.00 0.00 O ATOM 0 H ASP A 29 2.904 -7.833 7.402 1.00 0.00 H new ATOM 0 HA ASP A 29 5.309 -7.628 8.870 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.709 -7.325 9.458 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.868 -8.993 9.972 1.00 0.00 H new ATOM 457 N GLY A 30 4.138 -10.692 8.420 1.00 0.00 N ATOM 458 CA GLY A 30 4.529 -12.089 8.452 1.00 0.00 C ATOM 459 C GLY A 30 5.744 -12.367 7.588 1.00 0.00 C ATOM 460 O GLY A 30 6.521 -13.279 7.871 1.00 0.00 O ATOM 0 H GLY A 30 3.184 -10.521 8.101 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.743 -12.381 9.480 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.696 -12.705 8.113 1.00 0.00 H new ATOM 464 N LYS A 31 5.908 -11.574 6.534 1.00 0.00 N ATOM 465 CA LYS A 31 7.037 -11.733 5.625 1.00 0.00 C ATOM 466 C LYS A 31 8.291 -11.061 6.182 1.00 0.00 C ATOM 467 O LYS A 31 9.397 -11.293 5.693 1.00 0.00 O ATOM 468 CB LYS A 31 6.698 -11.148 4.253 1.00 0.00 C ATOM 469 CG LYS A 31 5.863 -12.076 3.386 1.00 0.00 C ATOM 470 CD LYS A 31 4.979 -11.297 2.424 1.00 0.00 C ATOM 471 CE LYS A 31 5.503 -11.372 0.998 1.00 0.00 C ATOM 472 NZ LYS A 31 5.191 -12.681 0.360 1.00 0.00 N ATOM 0 H LYS A 31 5.273 -10.815 6.288 1.00 0.00 H new ATOM 0 HA LYS A 31 7.238 -12.799 5.521 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.160 -10.210 4.390 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.624 -10.911 3.729 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.520 -12.738 2.822 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.242 -12.708 4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.964 -11.692 2.461 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.927 -10.255 2.739 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.065 -10.567 0.408 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.582 -11.217 0.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.565 -12.692 -0.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.630 -13.448 0.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.160 -12.818 0.336 1.00 0.00 H new ATOM 486 N ARG A 32 8.114 -10.226 7.204 1.00 0.00 N ATOM 487 CA ARG A 32 9.234 -9.525 7.820 1.00 0.00 C ATOM 488 C ARG A 32 9.927 -8.617 6.809 1.00 0.00 C ATOM 489 O ARG A 32 11.154 -8.599 6.713 1.00 0.00 O ATOM 490 CB ARG A 32 10.236 -10.527 8.399 1.00 0.00 C ATOM 491 CG ARG A 32 9.708 -11.286 9.607 1.00 0.00 C ATOM 492 CD ARG A 32 9.499 -12.759 9.295 1.00 0.00 C ATOM 493 NE ARG A 32 9.354 -13.561 10.507 1.00 0.00 N ATOM 494 CZ ARG A 32 8.229 -13.638 11.215 1.00 0.00 C ATOM 495 NH1 ARG A 32 7.150 -12.963 10.835 1.00 0.00 N ATOM 496 NH2 ARG A 32 8.181 -14.391 12.305 1.00 0.00 N ATOM 0 H ARG A 32 7.206 -10.020 7.621 1.00 0.00 H new ATOM 0 HA ARG A 32 8.844 -8.907 8.629 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.512 -11.241 7.624 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.145 -9.997 8.682 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.409 -11.185 10.436 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.765 -10.845 9.931 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.610 -12.875 8.675 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.344 -13.130 8.714 1.00 0.00 H new ATOM 0 HE ARG A 32 10.162 -14.093 10.830 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.181 -12.382 9.997 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.291 -13.026 11.381 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.006 -14.912 12.602 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.319 -14.449 12.847 1.00 0.00 H new ATOM 510 N ILE A 33 9.132 -7.862 6.058 1.00 0.00 N ATOM 511 CA ILE A 33 9.666 -6.952 5.058 1.00 0.00 C ATOM 512 C ILE A 33 10.056 -5.620 5.683 1.00 0.00 C ATOM 513 O ILE A 33 9.587 -5.265 6.765 1.00 0.00 O ATOM 514 CB ILE A 33 8.651 -6.699 3.926 1.00 0.00 C ATOM 515 CG1 ILE A 33 8.108 -8.025 3.393 1.00 0.00 C ATOM 516 CG2 ILE A 33 9.294 -5.895 2.805 1.00 0.00 C ATOM 517 CD1 ILE A 33 7.115 -7.860 2.264 1.00 0.00 C ATOM 0 H ILE A 33 8.114 -7.864 6.125 1.00 0.00 H new ATOM 0 HA ILE A 33 10.552 -7.428 4.639 1.00 0.00 H new ATOM 0 HB ILE A 33 7.818 -6.122 4.328 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.941 -8.637 3.047 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.631 -8.568 4.209 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.564 -5.725 2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.636 -4.936 3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.143 -6.447 2.402 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.772 -8.841 1.935 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.263 -7.275 2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.594 -7.345 1.431 1.00 0.00 H new ATOM 529 N GLN A 34 10.917 -4.891 4.991 1.00 0.00 N ATOM 530 CA GLN A 34 11.381 -3.592 5.466 1.00 0.00 C ATOM 531 C GLN A 34 10.777 -2.464 4.636 1.00 0.00 C ATOM 532 O GLN A 34 11.432 -1.456 4.367 1.00 0.00 O ATOM 533 CB GLN A 34 12.909 -3.521 5.409 1.00 0.00 C ATOM 534 CG GLN A 34 13.471 -3.655 4.003 1.00 0.00 C ATOM 535 CD GLN A 34 13.849 -2.318 3.396 1.00 0.00 C ATOM 536 OE1 GLN A 34 14.670 -1.584 3.946 1.00 0.00 O ATOM 537 NE2 GLN A 34 13.251 -1.996 2.256 1.00 0.00 N ATOM 0 H GLN A 34 11.312 -5.176 4.095 1.00 0.00 H new ATOM 0 HA GLN A 34 11.057 -3.473 6.500 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.237 -2.572 5.834 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.325 -4.311 6.035 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.349 -4.300 4.027 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.734 -4.144 3.366 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.577 -2.635 1.836 1.00 0.00 H new ATOM 0 HE22 GLN A 34 13.466 -1.109 1.800 1.00 0.00 H new ATOM 546 N TYR A 35 9.525 -2.643 4.231 1.00 0.00 N ATOM 547 CA TYR A 35 8.827 -1.645 3.429 1.00 0.00 C ATOM 548 C TYR A 35 8.548 -0.383 4.243 1.00 0.00 C ATOM 549 O TYR A 35 8.487 -0.425 5.472 1.00 0.00 O ATOM 550 CB TYR A 35 7.517 -2.225 2.884 1.00 0.00 C ATOM 551 CG TYR A 35 6.425 -2.365 3.924 1.00 0.00 C ATOM 552 CD1 TYR A 35 6.464 -3.382 4.871 1.00 0.00 C ATOM 553 CD2 TYR A 35 5.356 -1.479 3.958 1.00 0.00 C ATOM 554 CE1 TYR A 35 5.469 -3.510 5.821 1.00 0.00 C ATOM 555 CE2 TYR A 35 4.358 -1.600 4.906 1.00 0.00 C ATOM 556 CZ TYR A 35 4.419 -2.617 5.835 1.00 0.00 C ATOM 557 OH TYR A 35 3.426 -2.741 6.780 1.00 0.00 O ATOM 0 H TYR A 35 8.971 -3.472 4.446 1.00 0.00 H new ATOM 0 HA TYR A 35 9.470 -1.373 2.592 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.157 -1.586 2.078 1.00 0.00 H new ATOM 0 HB3 TYR A 35 7.718 -3.204 2.449 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.285 -4.083 4.864 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.304 -0.682 3.231 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.514 -4.306 6.549 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.534 -0.902 4.919 1.00 0.00 H new ATOM 0 HH TYR A 35 3.056 -1.857 6.984 1.00 0.00 H new ATOM 567 N GLN A 36 8.375 0.736 3.547 1.00 0.00 N ATOM 568 CA GLN A 36 8.097 2.010 4.197 1.00 0.00 C ATOM 569 C GLN A 36 6.624 2.101 4.579 1.00 0.00 C ATOM 570 O GLN A 36 5.851 1.178 4.326 1.00 0.00 O ATOM 571 CB GLN A 36 8.470 3.168 3.266 1.00 0.00 C ATOM 572 CG GLN A 36 9.204 4.308 3.955 1.00 0.00 C ATOM 573 CD GLN A 36 10.366 3.835 4.806 1.00 0.00 C ATOM 574 OE1 GLN A 36 11.081 2.903 4.439 1.00 0.00 O ATOM 575 NE2 GLN A 36 10.558 4.479 5.951 1.00 0.00 N ATOM 0 H GLN A 36 8.423 0.785 2.529 1.00 0.00 H new ATOM 0 HA GLN A 36 8.698 2.076 5.104 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.094 2.784 2.459 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.561 3.559 2.809 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.572 5.004 3.201 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.502 4.859 4.582 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.940 5.246 6.214 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.324 4.207 6.567 1.00 0.00 H new ATOM 584 N LEU A 37 6.238 3.216 5.185 1.00 0.00 N ATOM 585 CA LEU A 37 4.863 3.421 5.593 1.00 0.00 C ATOM 586 C LEU A 37 4.499 4.885 5.475 1.00 0.00 C ATOM 587 O LEU A 37 4.488 5.621 6.462 1.00 0.00 O ATOM 588 CB LEU A 37 4.666 2.944 7.024 1.00 0.00 C ATOM 589 CG LEU A 37 3.232 2.556 7.390 1.00 0.00 C ATOM 590 CD1 LEU A 37 3.181 1.960 8.788 1.00 0.00 C ATOM 591 CD2 LEU A 37 2.312 3.763 7.289 1.00 0.00 C ATOM 0 H LEU A 37 6.863 3.992 5.403 1.00 0.00 H new ATOM 0 HA LEU A 37 4.211 2.844 4.938 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.313 2.084 7.196 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.996 3.732 7.701 1.00 0.00 H new ATOM 0 HG LEU A 37 2.888 1.801 6.683 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.153 1.690 9.031 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.809 1.070 8.827 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.544 2.692 9.509 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.296 3.469 7.553 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.654 4.540 7.973 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.326 4.146 6.269 1.00 0.00 H new ATOM 603 N VAL A 38 4.201 5.301 4.258 1.00 0.00 N ATOM 604 CA VAL A 38 3.834 6.683 4.007 1.00 0.00 C ATOM 605 C VAL A 38 2.385 6.914 4.398 1.00 0.00 C ATOM 606 O VAL A 38 1.487 6.934 3.556 1.00 0.00 O ATOM 607 CB VAL A 38 4.046 7.082 2.532 1.00 0.00 C ATOM 608 CG1 VAL A 38 5.514 7.381 2.269 1.00 0.00 C ATOM 609 CG2 VAL A 38 3.542 5.995 1.594 1.00 0.00 C ATOM 0 H VAL A 38 4.206 4.705 3.431 1.00 0.00 H new ATOM 0 HA VAL A 38 4.487 7.309 4.615 1.00 0.00 H new ATOM 0 HB VAL A 38 3.468 7.986 2.338 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.647 7.661 1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.838 8.202 2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.110 6.495 2.486 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.704 6.302 0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.084 5.069 1.786 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.477 5.834 1.762 1.00 0.00 H new ATOM 619 N ASP A 39 2.172 7.076 5.695 1.00 0.00 N ATOM 620 CA ASP A 39 0.833 7.293 6.232 1.00 0.00 C ATOM 621 C ASP A 39 0.394 8.741 6.039 1.00 0.00 C ATOM 622 O ASP A 39 1.094 9.674 6.433 1.00 0.00 O ATOM 623 CB ASP A 39 0.795 6.931 7.717 1.00 0.00 C ATOM 624 CG ASP A 39 -0.606 6.992 8.292 1.00 0.00 C ATOM 625 OD1 ASP A 39 -1.032 8.092 8.702 1.00 0.00 O ATOM 626 OD2 ASP A 39 -1.277 5.939 8.333 1.00 0.00 O ATOM 0 H ASP A 39 2.910 7.062 6.399 1.00 0.00 H new ATOM 0 HA ASP A 39 0.142 6.649 5.688 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.197 5.927 7.854 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.442 7.612 8.271 1.00 0.00 H new ATOM 631 N ILE A 40 -0.771 8.916 5.422 1.00 0.00 N ATOM 632 CA ILE A 40 -1.314 10.244 5.163 1.00 0.00 C ATOM 633 C ILE A 40 -2.077 10.786 6.370 1.00 0.00 C ATOM 634 O ILE A 40 -2.332 11.986 6.462 1.00 0.00 O ATOM 635 CB ILE A 40 -2.255 10.231 3.943 1.00 0.00 C ATOM 636 CG1 ILE A 40 -3.382 9.218 4.152 1.00 0.00 C ATOM 637 CG2 ILE A 40 -1.477 9.913 2.673 1.00 0.00 C ATOM 638 CD1 ILE A 40 -4.498 9.337 3.137 1.00 0.00 C ATOM 0 H ILE A 40 -1.359 8.151 5.091 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.463 10.895 4.960 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.697 11.221 3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.967 8.211 4.107 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.796 9.348 5.152 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.157 9.908 1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.708 10.670 2.519 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.008 8.934 2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.262 8.588 3.347 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.939 10.332 3.196 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.098 9.177 2.136 1.00 0.00 H new ATOM 650 N SER A 41 -2.437 9.901 7.294 1.00 0.00 N ATOM 651 CA SER A 41 -3.169 10.303 8.490 1.00 0.00 C ATOM 652 C SER A 41 -2.361 11.305 9.309 1.00 0.00 C ATOM 653 O SER A 41 -2.919 12.089 10.076 1.00 0.00 O ATOM 654 CB SER A 41 -3.504 9.079 9.345 1.00 0.00 C ATOM 655 OG SER A 41 -4.670 9.301 10.118 1.00 0.00 O ATOM 0 H SER A 41 -2.234 8.903 7.238 1.00 0.00 H new ATOM 0 HA SER A 41 -4.097 10.781 8.175 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.650 8.211 8.702 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.666 8.851 10.003 1.00 0.00 H new ATOM 0 HG SER A 41 -5.288 8.550 10.001 1.00 0.00 H new ATOM 661 N GLN A 42 -1.043 11.272 9.139 1.00 0.00 N ATOM 662 CA GLN A 42 -0.153 12.175 9.859 1.00 0.00 C ATOM 663 C GLN A 42 -0.511 13.631 9.583 1.00 0.00 C ATOM 664 O GLN A 42 -0.936 14.358 10.481 1.00 0.00 O ATOM 665 CB GLN A 42 1.297 11.913 9.454 1.00 0.00 C ATOM 666 CG GLN A 42 2.311 12.687 10.280 1.00 0.00 C ATOM 667 CD GLN A 42 3.554 13.045 9.491 1.00 0.00 C ATOM 668 OE1 GLN A 42 4.425 12.205 9.267 1.00 0.00 O ATOM 669 NE2 GLN A 42 3.644 14.300 9.064 1.00 0.00 N ATOM 0 H GLN A 42 -0.567 10.628 8.507 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.271 11.988 10.926 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.504 10.847 9.547 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.424 12.172 8.403 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.848 13.600 10.655 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.595 12.093 11.149 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.898 14.964 9.272 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.459 14.599 8.528 1.00 0.00 H new ATOM 678 N ASP A 43 -0.332 14.051 8.335 1.00 0.00 N ATOM 679 CA ASP A 43 -0.632 15.423 7.939 1.00 0.00 C ATOM 680 C ASP A 43 -1.826 15.472 6.990 1.00 0.00 C ATOM 681 O ASP A 43 -2.435 14.447 6.688 1.00 0.00 O ATOM 682 CB ASP A 43 0.589 16.062 7.275 1.00 0.00 C ATOM 683 CG ASP A 43 1.452 16.823 8.263 1.00 0.00 C ATOM 684 OD1 ASP A 43 1.342 16.553 9.478 1.00 0.00 O ATOM 685 OD2 ASP A 43 2.238 17.687 7.822 1.00 0.00 O ATOM 0 H ASP A 43 0.019 13.462 7.580 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.886 15.985 8.838 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.187 15.286 6.797 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.258 16.740 6.488 1.00 0.00 H new ATOM 690 N ASN A 44 -2.154 16.674 6.524 1.00 0.00 N ATOM 691 CA ASN A 44 -3.275 16.861 5.610 1.00 0.00 C ATOM 692 C ASN A 44 -2.798 16.988 4.164 1.00 0.00 C ATOM 693 O ASN A 44 -3.582 16.833 3.229 1.00 0.00 O ATOM 694 CB ASN A 44 -4.076 18.104 6.003 1.00 0.00 C ATOM 695 CG ASN A 44 -5.198 17.787 6.972 1.00 0.00 C ATOM 696 OD1 ASN A 44 -6.189 17.154 6.607 1.00 0.00 O ATOM 697 ND2 ASN A 44 -5.048 18.227 8.216 1.00 0.00 N ATOM 0 H ASN A 44 -1.659 17.533 6.765 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.914 15.981 5.682 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.407 18.837 6.454 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.493 18.563 5.106 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.771 18.044 8.912 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.210 18.748 8.475 1.00 0.00 H new ATOM 704 N ALA A 45 -1.511 17.274 3.986 1.00 0.00 N ATOM 705 CA ALA A 45 -0.941 17.421 2.652 1.00 0.00 C ATOM 706 C ALA A 45 -0.654 16.064 2.020 1.00 0.00 C ATOM 707 O ALA A 45 -0.646 15.929 0.796 1.00 0.00 O ATOM 708 CB ALA A 45 0.329 18.257 2.710 1.00 0.00 C ATOM 0 H ALA A 45 -0.845 17.408 4.747 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.674 17.933 2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.744 18.359 1.707 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.097 19.245 3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.058 17.767 3.356 1.00 0.00 H new ATOM 714 N LEU A 46 -0.421 15.059 2.857 1.00 0.00 N ATOM 715 CA LEU A 46 -0.137 13.716 2.372 1.00 0.00 C ATOM 716 C LEU A 46 -1.353 13.130 1.662 1.00 0.00 C ATOM 717 O LEU A 46 -1.222 12.448 0.646 1.00 0.00 O ATOM 718 CB LEU A 46 0.282 12.808 3.529 1.00 0.00 C ATOM 719 CG LEU A 46 1.767 12.876 3.900 1.00 0.00 C ATOM 720 CD1 LEU A 46 1.948 13.486 5.281 1.00 0.00 C ATOM 721 CD2 LEU A 46 2.397 11.492 3.841 1.00 0.00 C ATOM 0 H LEU A 46 -0.423 15.150 3.873 1.00 0.00 H new ATOM 0 HA LEU A 46 0.684 13.779 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.309 13.068 4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.034 11.778 3.271 1.00 0.00 H new ATOM 0 HG LEU A 46 2.271 13.515 3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.010 13.525 5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.536 14.495 5.290 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.428 12.876 6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.452 11.561 4.108 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.888 10.830 4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.303 11.092 2.831 1.00 0.00 H new ATOM 733 N ARG A 47 -2.537 13.404 2.202 1.00 0.00 N ATOM 734 CA ARG A 47 -3.775 12.906 1.616 1.00 0.00 C ATOM 735 C ARG A 47 -4.048 13.581 0.276 1.00 0.00 C ATOM 736 O ARG A 47 -4.506 12.941 -0.671 1.00 0.00 O ATOM 737 CB ARG A 47 -4.950 13.134 2.569 1.00 0.00 C ATOM 738 CG ARG A 47 -5.098 14.576 3.025 1.00 0.00 C ATOM 739 CD ARG A 47 -6.469 14.832 3.629 1.00 0.00 C ATOM 740 NE ARG A 47 -6.474 14.642 5.078 1.00 0.00 N ATOM 741 CZ ARG A 47 -7.582 14.522 5.806 1.00 0.00 C ATOM 742 NH1 ARG A 47 -8.774 14.571 5.225 1.00 0.00 N ATOM 743 NH2 ARG A 47 -7.497 14.352 7.118 1.00 0.00 N ATOM 0 H ARG A 47 -2.664 13.967 3.043 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.663 11.835 1.448 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.871 12.822 2.077 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.825 12.497 3.444 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.327 14.807 3.760 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.942 15.244 2.178 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.783 15.849 3.396 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.197 14.161 3.173 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.576 14.599 5.560 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.844 14.701 4.216 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.620 14.478 5.788 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.583 14.313 7.569 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.346 14.260 7.676 1.00 0.00 H new ATOM 757 N ASP A 48 -3.757 14.878 0.199 1.00 0.00 N ATOM 758 CA ASP A 48 -3.969 15.631 -1.033 1.00 0.00 C ATOM 759 C ASP A 48 -2.780 15.496 -1.974 1.00 0.00 C ATOM 760 O ASP A 48 -2.771 16.050 -3.073 1.00 0.00 O ATOM 761 CB ASP A 48 -4.236 17.104 -0.725 1.00 0.00 C ATOM 762 CG ASP A 48 -5.326 17.690 -1.600 1.00 0.00 C ATOM 763 OD1 ASP A 48 -5.111 17.794 -2.826 1.00 0.00 O ATOM 764 OD2 ASP A 48 -6.395 18.044 -1.060 1.00 0.00 O ATOM 0 H ASP A 48 -3.376 15.426 0.971 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.844 15.213 -1.531 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.520 17.207 0.322 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.317 17.674 -0.864 1.00 0.00 H new ATOM 769 N GLU A 49 -1.792 14.742 -1.534 1.00 0.00 N ATOM 770 CA GLU A 49 -0.592 14.499 -2.323 1.00 0.00 C ATOM 771 C GLU A 49 -0.670 13.133 -2.994 1.00 0.00 C ATOM 772 O GLU A 49 -0.131 12.928 -4.082 1.00 0.00 O ATOM 773 CB GLU A 49 0.655 14.580 -1.438 1.00 0.00 C ATOM 774 CG GLU A 49 1.325 15.944 -1.454 1.00 0.00 C ATOM 775 CD GLU A 49 2.834 15.851 -1.561 1.00 0.00 C ATOM 776 OE1 GLU A 49 3.463 15.307 -0.629 1.00 0.00 O ATOM 777 OE2 GLU A 49 3.388 16.322 -2.577 1.00 0.00 O ATOM 0 H GLU A 49 -1.794 14.281 -0.624 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.523 15.267 -3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.380 14.332 -0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.373 13.828 -1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.940 16.524 -2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.062 16.485 -0.545 1.00 0.00 H new ATOM 784 N MET A 50 -1.352 12.203 -2.333 1.00 0.00 N ATOM 785 CA MET A 50 -1.514 10.851 -2.854 1.00 0.00 C ATOM 786 C MET A 50 -2.652 10.796 -3.866 1.00 0.00 C ATOM 787 O MET A 50 -2.519 10.197 -4.933 1.00 0.00 O ATOM 788 CB MET A 50 -1.787 9.874 -1.708 1.00 0.00 C ATOM 789 CG MET A 50 -1.143 8.511 -1.903 1.00 0.00 C ATOM 790 SD MET A 50 -2.067 7.463 -3.043 1.00 0.00 S ATOM 791 CE MET A 50 -0.747 6.468 -3.732 1.00 0.00 C ATOM 0 H MET A 50 -1.803 12.362 -1.432 1.00 0.00 H new ATOM 0 HA MET A 50 -0.590 10.564 -3.356 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.423 10.309 -0.777 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.864 9.745 -1.600 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.128 8.643 -2.278 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.063 8.010 -0.938 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.075 5.431 -3.808 1.00 0.00 H new ATOM 0 HE2 MET A 50 -0.490 6.841 -4.723 1.00 0.00 H new ATOM 0 HE3 MET A 50 0.128 6.526 -3.085 1.00 0.00 H new ATOM 801 N ARG A 51 -3.771 11.427 -3.525 1.00 0.00 N ATOM 802 CA ARG A 51 -4.935 11.452 -4.404 1.00 0.00 C ATOM 803 C ARG A 51 -4.584 12.072 -5.754 1.00 0.00 C ATOM 804 O ARG A 51 -5.178 11.731 -6.777 1.00 0.00 O ATOM 805 CB ARG A 51 -6.078 12.232 -3.751 1.00 0.00 C ATOM 806 CG ARG A 51 -7.053 11.353 -2.984 1.00 0.00 C ATOM 807 CD ARG A 51 -6.516 10.995 -1.608 1.00 0.00 C ATOM 808 NE ARG A 51 -7.368 10.024 -0.924 1.00 0.00 N ATOM 809 CZ ARG A 51 -8.565 10.313 -0.421 1.00 0.00 C ATOM 810 NH1 ARG A 51 -9.057 11.542 -0.522 1.00 0.00 N ATOM 811 NH2 ARG A 51 -9.274 9.370 0.186 1.00 0.00 N ATOM 0 H ARG A 51 -3.896 11.928 -2.646 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.256 10.424 -4.570 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.659 12.974 -3.072 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.622 12.777 -4.522 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.007 11.870 -2.880 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.245 10.441 -3.549 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.509 10.589 -1.706 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.438 11.898 -1.003 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.024 9.069 -0.827 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.516 12.271 -0.987 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.976 11.757 -0.134 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.901 8.424 0.267 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.192 9.591 0.572 1.00 0.00 H new ATOM 825 N ALA A 52 -3.617 12.984 -5.748 1.00 0.00 N ATOM 826 CA ALA A 52 -3.189 13.651 -6.971 1.00 0.00 C ATOM 827 C ALA A 52 -2.256 12.761 -7.785 1.00 0.00 C ATOM 828 O ALA A 52 -2.555 12.411 -8.926 1.00 0.00 O ATOM 829 CB ALA A 52 -2.508 14.971 -6.641 1.00 0.00 C ATOM 0 H ALA A 52 -3.116 13.278 -4.910 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.074 13.852 -7.575 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.193 15.459 -7.564 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.206 15.617 -6.109 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.636 14.784 -6.014 1.00 0.00 H new ATOM 835 N LEU A 53 -1.124 12.398 -7.190 1.00 0.00 N ATOM 836 CA LEU A 53 -0.146 11.548 -7.860 1.00 0.00 C ATOM 837 C LEU A 53 -0.762 10.208 -8.249 1.00 0.00 C ATOM 838 O LEU A 53 -0.362 9.593 -9.237 1.00 0.00 O ATOM 839 CB LEU A 53 1.068 11.321 -6.956 1.00 0.00 C ATOM 840 CG LEU A 53 1.786 12.594 -6.505 1.00 0.00 C ATOM 841 CD1 LEU A 53 2.420 12.393 -5.138 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.837 13.002 -7.527 1.00 0.00 C ATOM 0 H LEU A 53 -0.861 12.679 -6.245 1.00 0.00 H new ATOM 0 HA LEU A 53 0.176 12.056 -8.769 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.746 10.771 -6.072 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.781 10.687 -7.483 1.00 0.00 H new ATOM 0 HG LEU A 53 1.051 13.395 -6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.926 13.309 -4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.646 12.147 -4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.143 11.579 -5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.338 13.910 -7.191 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.569 12.202 -7.635 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.357 13.187 -8.488 1.00 0.00 H new ATOM 854 N ALA A 54 -1.736 9.760 -7.463 1.00 0.00 N ATOM 855 CA ALA A 54 -2.407 8.492 -7.724 1.00 0.00 C ATOM 856 C ALA A 54 -3.395 8.606 -8.882 1.00 0.00 C ATOM 857 O ALA A 54 -3.902 7.598 -9.374 1.00 0.00 O ATOM 858 CB ALA A 54 -3.118 8.007 -6.470 1.00 0.00 C ATOM 0 H ALA A 54 -2.078 10.256 -6.640 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.646 7.765 -8.009 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.615 7.059 -6.677 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.391 7.868 -5.670 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.858 8.746 -6.163 1.00 0.00 H new ATOM 864 N GLY A 55 -3.670 9.834 -9.314 1.00 0.00 N ATOM 865 CA GLY A 55 -4.601 10.039 -10.407 1.00 0.00 C ATOM 866 C GLY A 55 -5.994 9.544 -10.072 1.00 0.00 C ATOM 867 O GLY A 55 -6.635 8.873 -10.880 1.00 0.00 O ATOM 0 H GLY A 55 -3.266 10.687 -8.927 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.643 11.100 -10.652 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.237 9.521 -11.294 1.00 0.00 H new ATOM 871 N ASN A 56 -6.460 9.877 -8.873 1.00 0.00 N ATOM 872 CA ASN A 56 -7.783 9.467 -8.420 1.00 0.00 C ATOM 873 C ASN A 56 -8.040 9.971 -7.019 1.00 0.00 C ATOM 874 O ASN A 56 -7.377 9.569 -6.063 1.00 0.00 O ATOM 875 CB ASN A 56 -7.938 7.944 -8.471 1.00 0.00 C ATOM 876 CG ASN A 56 -6.669 7.211 -8.079 1.00 0.00 C ATOM 877 OD1 ASN A 56 -6.074 6.500 -8.888 1.00 0.00 O ATOM 878 ND2 ASN A 56 -6.248 7.380 -6.831 1.00 0.00 N ATOM 0 H ASN A 56 -5.938 10.432 -8.195 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.519 9.906 -9.094 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.747 7.643 -7.805 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.228 7.646 -9.479 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.401 6.911 -6.511 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.772 7.979 -6.193 1.00 0.00 H new ATOM 885 N PRO A 57 -9.010 10.879 -6.886 1.00 0.00 N ATOM 886 CA PRO A 57 -9.370 11.471 -5.617 1.00 0.00 C ATOM 887 C PRO A 57 -10.398 10.642 -4.853 1.00 0.00 C ATOM 888 O PRO A 57 -11.143 11.165 -4.024 1.00 0.00 O ATOM 889 CB PRO A 57 -9.957 12.826 -6.026 1.00 0.00 C ATOM 890 CG PRO A 57 -10.032 12.838 -7.521 1.00 0.00 C ATOM 891 CD PRO A 57 -9.833 11.427 -7.967 1.00 0.00 C ATOM 0 HA PRO A 57 -8.519 11.543 -4.939 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -10.946 12.965 -5.589 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -9.331 13.642 -5.665 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -10.996 13.219 -7.858 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.267 13.490 -7.943 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.778 10.894 -8.070 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -9.329 11.371 -8.932 1.00 0.00 H new ATOM 899 N LYS A 58 -10.423 9.345 -5.132 1.00 0.00 N ATOM 900 CA LYS A 58 -11.347 8.432 -4.471 1.00 0.00 C ATOM 901 C LYS A 58 -10.607 7.217 -3.909 1.00 0.00 C ATOM 902 O LYS A 58 -11.224 6.308 -3.354 1.00 0.00 O ATOM 903 CB LYS A 58 -12.435 7.979 -5.448 1.00 0.00 C ATOM 904 CG LYS A 58 -13.802 8.579 -5.158 1.00 0.00 C ATOM 905 CD LYS A 58 -14.812 8.209 -6.232 1.00 0.00 C ATOM 906 CE LYS A 58 -15.006 9.341 -7.228 1.00 0.00 C ATOM 907 NZ LYS A 58 -14.124 9.191 -8.418 1.00 0.00 N ATOM 0 H LYS A 58 -9.810 8.900 -5.815 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.813 8.963 -3.641 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.137 8.248 -6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.510 6.892 -5.416 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.156 8.229 -4.188 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.718 9.664 -5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.476 7.315 -6.757 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.767 7.965 -5.766 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.047 9.368 -7.549 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.798 10.293 -6.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.311 9.964 -9.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.129 9.225 -8.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.316 8.279 -8.879 1.00 0.00 H new ATOM 921 N ALA A 59 -9.282 7.207 -4.057 1.00 0.00 N ATOM 922 CA ALA A 59 -8.465 6.106 -3.565 1.00 0.00 C ATOM 923 C ALA A 59 -8.641 5.916 -2.062 1.00 0.00 C ATOM 924 O ALA A 59 -9.502 6.539 -1.442 1.00 0.00 O ATOM 925 CB ALA A 59 -7.000 6.350 -3.901 1.00 0.00 C ATOM 0 H ALA A 59 -8.755 7.951 -4.514 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.795 5.192 -4.058 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.398 5.521 -3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.883 6.427 -4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.669 7.277 -3.433 1.00 0.00 H new ATOM 931 N THR A 60 -7.815 5.051 -1.487 1.00 0.00 N ATOM 932 CA THR A 60 -7.867 4.770 -0.057 1.00 0.00 C ATOM 933 C THR A 60 -6.467 4.843 0.550 1.00 0.00 C ATOM 934 O THR A 60 -5.479 4.936 -0.174 1.00 0.00 O ATOM 935 CB THR A 60 -8.478 3.387 0.181 1.00 0.00 C ATOM 936 OG1 THR A 60 -7.568 2.366 -0.189 1.00 0.00 O ATOM 937 CG2 THR A 60 -9.760 3.160 -0.590 1.00 0.00 C ATOM 0 H THR A 60 -7.098 4.530 -1.991 1.00 0.00 H new ATOM 0 HA THR A 60 -8.492 5.520 0.427 1.00 0.00 H new ATOM 0 HB THR A 60 -8.702 3.349 1.247 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.975 2.697 -0.896 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.141 2.161 -0.377 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.500 3.902 -0.291 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.564 3.253 -1.658 1.00 0.00 H new ATOM 945 N PRO A 61 -6.358 4.811 1.889 1.00 0.00 N ATOM 946 CA PRO A 61 -5.062 4.880 2.573 1.00 0.00 C ATOM 947 C PRO A 61 -4.080 3.803 2.102 1.00 0.00 C ATOM 948 O PRO A 61 -2.921 4.101 1.816 1.00 0.00 O ATOM 949 CB PRO A 61 -5.419 4.674 4.048 1.00 0.00 C ATOM 950 CG PRO A 61 -6.848 5.080 4.155 1.00 0.00 C ATOM 951 CD PRO A 61 -7.480 4.715 2.842 1.00 0.00 C ATOM 0 HA PRO A 61 -4.555 5.824 2.371 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.280 3.635 4.347 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.786 5.280 4.696 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.339 4.566 4.981 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -6.937 6.149 4.347 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.904 3.711 2.865 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.289 5.397 2.581 1.00 0.00 H new ATOM 959 N PRO A 62 -4.520 2.531 2.022 1.00 0.00 N ATOM 960 CA PRO A 62 -3.653 1.426 1.592 1.00 0.00 C ATOM 961 C PRO A 62 -3.366 1.441 0.092 1.00 0.00 C ATOM 962 O PRO A 62 -4.142 0.912 -0.703 1.00 0.00 O ATOM 963 CB PRO A 62 -4.457 0.182 1.969 1.00 0.00 C ATOM 964 CG PRO A 62 -5.878 0.623 1.923 1.00 0.00 C ATOM 965 CD PRO A 62 -5.883 2.065 2.352 1.00 0.00 C ATOM 0 HA PRO A 62 -2.670 1.481 2.061 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.273 -0.635 1.271 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.186 -0.179 2.961 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.287 0.514 0.919 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.495 0.017 2.586 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.642 2.639 1.821 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.094 2.166 3.417 1.00 0.00 H new ATOM 973 N GLN A 63 -2.239 2.040 -0.284 1.00 0.00 N ATOM 974 CA GLN A 63 -1.837 2.116 -1.687 1.00 0.00 C ATOM 975 C GLN A 63 -0.322 2.016 -1.816 1.00 0.00 C ATOM 976 O GLN A 63 0.416 2.751 -1.160 1.00 0.00 O ATOM 977 CB GLN A 63 -2.327 3.419 -2.323 1.00 0.00 C ATOM 978 CG GLN A 63 -3.712 3.846 -1.864 1.00 0.00 C ATOM 979 CD GLN A 63 -4.822 3.028 -2.498 1.00 0.00 C ATOM 980 OE1 GLN A 63 -5.678 2.480 -1.804 1.00 0.00 O ATOM 981 NE2 GLN A 63 -4.816 2.947 -3.823 1.00 0.00 N ATOM 0 H GLN A 63 -1.586 2.481 0.364 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.293 1.277 -2.213 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.618 4.214 -2.092 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.334 3.303 -3.407 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.774 3.755 -0.780 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.861 4.899 -2.104 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.087 3.417 -4.359 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.540 2.415 -4.305 1.00 0.00 H new ATOM 990 N ILE A 64 0.137 1.101 -2.663 1.00 0.00 N ATOM 991 CA ILE A 64 1.566 0.905 -2.874 1.00 0.00 C ATOM 992 C ILE A 64 2.133 1.955 -3.822 1.00 0.00 C ATOM 993 O ILE A 64 1.453 2.411 -4.741 1.00 0.00 O ATOM 994 CB ILE A 64 1.866 -0.496 -3.440 1.00 0.00 C ATOM 995 CG1 ILE A 64 1.119 -1.565 -2.639 1.00 0.00 C ATOM 996 CG2 ILE A 64 3.364 -0.763 -3.427 1.00 0.00 C ATOM 997 CD1 ILE A 64 -0.173 -2.012 -3.287 1.00 0.00 C ATOM 0 H ILE A 64 -0.460 0.484 -3.214 1.00 0.00 H new ATOM 0 HA ILE A 64 2.043 1.004 -1.899 1.00 0.00 H new ATOM 0 HB ILE A 64 1.520 -0.537 -4.473 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.769 -2.430 -2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.902 -1.176 -1.644 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.560 -1.757 -3.830 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.872 -0.017 -4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.735 -0.707 -2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.649 -2.770 -2.665 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.842 -1.158 -3.393 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.039 -2.431 -4.271 1.00 0.00 H new ATOM 1009 N VAL A 65 3.386 2.333 -3.591 1.00 0.00 N ATOM 1010 CA VAL A 65 4.052 3.328 -4.421 1.00 0.00 C ATOM 1011 C VAL A 65 5.539 3.014 -4.552 1.00 0.00 C ATOM 1012 O VAL A 65 6.187 2.609 -3.587 1.00 0.00 O ATOM 1013 CB VAL A 65 3.875 4.748 -3.843 1.00 0.00 C ATOM 1014 CG1 VAL A 65 4.627 5.782 -4.673 1.00 0.00 C ATOM 1015 CG2 VAL A 65 2.397 5.102 -3.755 1.00 0.00 C ATOM 0 H VAL A 65 3.961 1.964 -2.834 1.00 0.00 H new ATOM 0 HA VAL A 65 3.589 3.292 -5.407 1.00 0.00 H new ATOM 0 HB VAL A 65 4.298 4.759 -2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.482 6.772 -4.240 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.690 5.541 -4.679 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.247 5.774 -5.695 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.287 6.106 -3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.954 5.065 -4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.890 4.388 -3.106 1.00 0.00 H new ATOM 1025 N ASN A 66 6.071 3.203 -5.754 1.00 0.00 N ATOM 1026 CA ASN A 66 7.480 2.940 -6.017 1.00 0.00 C ATOM 1027 C ASN A 66 8.247 4.242 -6.223 1.00 0.00 C ATOM 1028 O ASN A 66 8.508 4.649 -7.355 1.00 0.00 O ATOM 1029 CB ASN A 66 7.632 2.045 -7.249 1.00 0.00 C ATOM 1030 CG ASN A 66 8.797 1.082 -7.123 1.00 0.00 C ATOM 1031 OD1 ASN A 66 9.680 1.043 -7.979 1.00 0.00 O ATOM 1032 ND2 ASN A 66 8.803 0.298 -6.051 1.00 0.00 N ATOM 0 H ASN A 66 5.547 3.538 -6.562 1.00 0.00 H new ATOM 0 HA ASN A 66 7.896 2.427 -5.150 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.712 1.480 -7.400 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.773 2.668 -8.132 1.00 0.00 H new ATOM 0 HD21 ASN A 66 9.561 -0.370 -5.912 1.00 0.00 H new ATOM 0 HD22 ASN A 66 8.050 0.364 -5.366 1.00 0.00 H new ATOM 1039 N GLY A 67 8.604 4.891 -5.120 1.00 0.00 N ATOM 1040 CA GLY A 67 9.336 6.140 -5.200 1.00 0.00 C ATOM 1041 C GLY A 67 8.420 7.346 -5.264 1.00 0.00 C ATOM 1042 O GLY A 67 8.108 7.952 -4.239 1.00 0.00 O ATOM 0 H GLY A 67 8.399 4.574 -4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.990 6.230 -4.333 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.976 6.127 -6.082 1.00 0.00 H new ATOM 1046 N ASP A 68 7.989 7.693 -6.470 1.00 0.00 N ATOM 1047 CA ASP A 68 7.103 8.834 -6.665 1.00 0.00 C ATOM 1048 C ASP A 68 6.106 8.561 -7.785 1.00 0.00 C ATOM 1049 O ASP A 68 5.827 9.434 -8.608 1.00 0.00 O ATOM 1050 CB ASP A 68 7.917 10.090 -6.982 1.00 0.00 C ATOM 1051 CG ASP A 68 7.172 11.364 -6.638 1.00 0.00 C ATOM 1052 OD1 ASP A 68 6.991 11.640 -5.434 1.00 0.00 O ATOM 1053 OD2 ASP A 68 6.770 12.088 -7.574 1.00 0.00 O ATOM 0 H ASP A 68 8.238 7.201 -7.328 1.00 0.00 H new ATOM 0 HA ASP A 68 6.548 8.995 -5.741 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.856 10.061 -6.428 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.172 10.096 -8.042 1.00 0.00 H new ATOM 1058 N GLN A 69 5.570 7.345 -7.813 1.00 0.00 N ATOM 1059 CA GLN A 69 4.604 6.962 -8.833 1.00 0.00 C ATOM 1060 C GLN A 69 3.563 6.008 -8.260 1.00 0.00 C ATOM 1061 O GLN A 69 3.764 5.420 -7.198 1.00 0.00 O ATOM 1062 CB GLN A 69 5.315 6.311 -10.022 1.00 0.00 C ATOM 1063 CG GLN A 69 5.252 7.139 -11.296 1.00 0.00 C ATOM 1064 CD GLN A 69 6.161 6.603 -12.384 1.00 0.00 C ATOM 1065 OE1 GLN A 69 6.862 7.363 -13.053 1.00 0.00 O ATOM 1066 NE2 GLN A 69 6.155 5.288 -12.567 1.00 0.00 N ATOM 0 H GLN A 69 5.789 6.609 -7.141 1.00 0.00 H new ATOM 0 HA GLN A 69 4.096 7.863 -9.176 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.359 6.140 -9.761 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.869 5.334 -10.211 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.225 7.159 -11.662 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.530 8.169 -11.070 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.558 4.695 -11.990 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.747 4.870 -13.285 1.00 0.00 H new ATOM 1075 N TYR A 70 2.453 5.858 -8.968 1.00 0.00 N ATOM 1076 CA TYR A 70 1.384 4.975 -8.525 1.00 0.00 C ATOM 1077 C TYR A 70 1.715 3.523 -8.852 1.00 0.00 C ATOM 1078 O TYR A 70 1.598 3.091 -9.998 1.00 0.00 O ATOM 1079 CB TYR A 70 0.062 5.372 -9.182 1.00 0.00 C ATOM 1080 CG TYR A 70 -1.160 4.937 -8.405 1.00 0.00 C ATOM 1081 CD1 TYR A 70 -1.218 5.081 -7.024 1.00 0.00 C ATOM 1082 CD2 TYR A 70 -2.257 4.385 -9.053 1.00 0.00 C ATOM 1083 CE1 TYR A 70 -2.334 4.685 -6.312 1.00 0.00 C ATOM 1084 CE2 TYR A 70 -3.377 3.987 -8.348 1.00 0.00 C ATOM 1085 CZ TYR A 70 -3.410 4.139 -6.978 1.00 0.00 C ATOM 1086 OH TYR A 70 -4.524 3.744 -6.273 1.00 0.00 O ATOM 0 H TYR A 70 2.269 6.336 -9.850 1.00 0.00 H new ATOM 0 HA TYR A 70 1.285 5.073 -7.444 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.038 6.455 -9.303 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.019 4.939 -10.181 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.377 5.509 -6.499 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -2.235 4.265 -10.126 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.363 4.803 -5.239 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.222 3.559 -8.867 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.191 3.381 -6.892 1.00 0.00 H new ATOM 1096 N CYS A 71 2.135 2.778 -7.835 1.00 0.00 N ATOM 1097 CA CYS A 71 2.491 1.375 -8.013 1.00 0.00 C ATOM 1098 C CYS A 71 1.246 0.493 -8.060 1.00 0.00 C ATOM 1099 O CYS A 71 1.072 -0.295 -8.989 1.00 0.00 O ATOM 1100 CB CYS A 71 3.412 0.915 -6.882 1.00 0.00 C ATOM 1101 SG CYS A 71 4.150 -0.714 -7.147 1.00 0.00 S ATOM 0 H CYS A 71 2.237 3.122 -6.880 1.00 0.00 H new ATOM 0 HA CYS A 71 3.015 1.279 -8.964 1.00 0.00 H new ATOM 0 HB2 CYS A 71 4.210 1.647 -6.757 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.846 0.898 -5.951 1.00 0.00 H new ATOM 0 HG CYS A 71 3.361 -1.631 -6.670 1.00 0.00 H new ATOM 1107 N GLY A 72 0.383 0.629 -7.058 1.00 0.00 N ATOM 1108 CA GLY A 72 -0.830 -0.167 -7.020 1.00 0.00 C ATOM 1109 C GLY A 72 -1.696 0.145 -5.817 1.00 0.00 C ATOM 1110 O GLY A 72 -1.666 1.259 -5.294 1.00 0.00 O ATOM 0 H GLY A 72 0.501 1.273 -6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.403 0.008 -7.930 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.566 -1.224 -7.008 1.00 0.00 H new ATOM 1114 N ASP A 73 -2.470 -0.841 -5.378 1.00 0.00 N ATOM 1115 CA ASP A 73 -3.350 -0.667 -4.229 1.00 0.00 C ATOM 1116 C ASP A 73 -3.742 -2.017 -3.631 1.00 0.00 C ATOM 1117 O ASP A 73 -3.171 -3.050 -3.979 1.00 0.00 O ATOM 1118 CB ASP A 73 -4.600 0.122 -4.631 1.00 0.00 C ATOM 1119 CG ASP A 73 -5.475 -0.629 -5.615 1.00 0.00 C ATOM 1120 OD1 ASP A 73 -5.955 -1.727 -5.265 1.00 0.00 O ATOM 1121 OD2 ASP A 73 -5.679 -0.119 -6.737 1.00 0.00 O ATOM 0 H ASP A 73 -2.506 -1.769 -5.800 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.809 -0.104 -3.468 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.181 0.354 -3.738 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.299 1.073 -5.071 1.00 0.00 H new ATOM 1126 N TYR A 74 -4.713 -1.996 -2.725 1.00 0.00 N ATOM 1127 CA TYR A 74 -5.181 -3.213 -2.066 1.00 0.00 C ATOM 1128 C TYR A 74 -5.579 -4.285 -3.080 1.00 0.00 C ATOM 1129 O TYR A 74 -5.118 -5.423 -3.005 1.00 0.00 O ATOM 1130 CB TYR A 74 -6.368 -2.892 -1.154 1.00 0.00 C ATOM 1131 CG TYR A 74 -6.939 -4.101 -0.447 1.00 0.00 C ATOM 1132 CD1 TYR A 74 -7.862 -4.926 -1.078 1.00 0.00 C ATOM 1133 CD2 TYR A 74 -6.557 -4.416 0.851 1.00 0.00 C ATOM 1134 CE1 TYR A 74 -8.388 -6.030 -0.435 1.00 0.00 C ATOM 1135 CE2 TYR A 74 -7.077 -5.519 1.500 1.00 0.00 C ATOM 1136 CZ TYR A 74 -7.992 -6.322 0.853 1.00 0.00 C ATOM 1137 OH TYR A 74 -8.513 -7.421 1.497 1.00 0.00 O ATOM 0 H TYR A 74 -5.194 -1.147 -2.428 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.358 -3.606 -1.469 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.054 -2.161 -0.408 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.154 -2.425 -1.747 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.173 -4.701 -2.087 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.842 -3.788 1.361 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.106 -6.661 -0.939 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.768 -5.751 2.509 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.732 -8.113 0.838 1.00 0.00 H new ATOM 1147 N GLU A 75 -6.444 -3.917 -4.019 1.00 0.00 N ATOM 1148 CA GLU A 75 -6.916 -4.841 -5.038 1.00 0.00 C ATOM 1149 C GLU A 75 -5.761 -5.544 -5.749 1.00 0.00 C ATOM 1150 O GLU A 75 -5.649 -6.769 -5.704 1.00 0.00 O ATOM 1151 CB GLU A 75 -7.775 -4.088 -6.048 1.00 0.00 C ATOM 1152 CG GLU A 75 -9.019 -4.847 -6.464 1.00 0.00 C ATOM 1153 CD GLU A 75 -9.003 -5.243 -7.928 1.00 0.00 C ATOM 1154 OE1 GLU A 75 -8.363 -4.530 -8.729 1.00 0.00 O ATOM 1155 OE2 GLU A 75 -9.630 -6.267 -8.273 1.00 0.00 O ATOM 0 H GLU A 75 -6.834 -2.977 -4.093 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.511 -5.611 -4.547 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.069 -3.129 -5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.177 -3.872 -6.933 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.115 -5.743 -5.851 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.897 -4.232 -6.268 1.00 0.00 H new ATOM 1162 N LEU A 76 -4.908 -4.767 -6.409 1.00 0.00 N ATOM 1163 CA LEU A 76 -3.767 -5.323 -7.135 1.00 0.00 C ATOM 1164 C LEU A 76 -2.945 -6.252 -6.246 1.00 0.00 C ATOM 1165 O LEU A 76 -2.842 -7.451 -6.510 1.00 0.00 O ATOM 1166 CB LEU A 76 -2.877 -4.199 -7.670 1.00 0.00 C ATOM 1167 CG LEU A 76 -3.560 -3.242 -8.649 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -4.088 -2.018 -7.916 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -2.595 -2.832 -9.752 1.00 0.00 C ATOM 0 H LEU A 76 -4.984 -3.751 -6.457 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.157 -5.903 -7.971 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.499 -3.622 -6.826 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.013 -4.644 -8.164 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.404 -3.758 -9.106 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.571 -1.348 -8.627 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.811 -2.329 -7.162 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.261 -1.499 -7.432 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.097 -2.151 -10.440 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.731 -2.333 -9.313 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.265 -3.718 -10.295 1.00 0.00 H new ATOM 1181 N PHE A 77 -2.360 -5.689 -5.193 1.00 0.00 N ATOM 1182 CA PHE A 77 -1.542 -6.460 -4.261 1.00 0.00 C ATOM 1183 C PHE A 77 -2.240 -7.762 -3.864 1.00 0.00 C ATOM 1184 O PHE A 77 -1.689 -8.851 -4.031 1.00 0.00 O ATOM 1185 CB PHE A 77 -1.239 -5.622 -3.015 1.00 0.00 C ATOM 1186 CG PHE A 77 -0.508 -6.375 -1.937 1.00 0.00 C ATOM 1187 CD1 PHE A 77 -1.185 -7.259 -1.112 1.00 0.00 C ATOM 1188 CD2 PHE A 77 0.853 -6.197 -1.750 1.00 0.00 C ATOM 1189 CE1 PHE A 77 -0.517 -7.951 -0.120 1.00 0.00 C ATOM 1190 CE2 PHE A 77 1.526 -6.887 -0.759 1.00 0.00 C ATOM 1191 CZ PHE A 77 0.840 -7.765 0.057 1.00 0.00 C ATOM 0 H PHE A 77 -2.437 -4.698 -4.963 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.606 -6.716 -4.758 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.644 -4.756 -3.307 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.176 -5.242 -2.608 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.246 -7.409 -1.246 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.394 -5.512 -2.385 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.056 -8.637 0.517 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.587 -6.740 -0.623 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.364 -8.305 0.832 1.00 0.00 H new ATOM 1201 N VAL A 78 -3.456 -7.640 -3.340 1.00 0.00 N ATOM 1202 CA VAL A 78 -4.229 -8.803 -2.922 1.00 0.00 C ATOM 1203 C VAL A 78 -4.541 -9.709 -4.109 1.00 0.00 C ATOM 1204 O VAL A 78 -4.634 -10.928 -3.965 1.00 0.00 O ATOM 1205 CB VAL A 78 -5.549 -8.389 -2.243 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -6.289 -9.611 -1.718 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -5.283 -7.396 -1.122 1.00 0.00 C ATOM 0 H VAL A 78 -3.927 -6.747 -3.195 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.617 -9.348 -2.203 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.181 -7.904 -2.987 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.218 -9.297 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.514 -10.283 -2.546 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.665 -10.129 -0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.226 -7.115 -0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.631 -7.853 -0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.801 -6.507 -1.530 1.00 0.00 H new ATOM 1217 N GLU A 79 -4.698 -9.105 -5.283 1.00 0.00 N ATOM 1218 CA GLU A 79 -4.996 -9.859 -6.496 1.00 0.00 C ATOM 1219 C GLU A 79 -3.743 -10.536 -7.050 1.00 0.00 C ATOM 1220 O GLU A 79 -3.810 -11.268 -8.037 1.00 0.00 O ATOM 1221 CB GLU A 79 -5.601 -8.941 -7.559 1.00 0.00 C ATOM 1222 CG GLU A 79 -5.932 -9.657 -8.859 1.00 0.00 C ATOM 1223 CD GLU A 79 -7.322 -9.331 -9.369 1.00 0.00 C ATOM 1224 OE1 GLU A 79 -7.813 -8.218 -9.086 1.00 0.00 O ATOM 1225 OE2 GLU A 79 -7.921 -10.189 -10.051 1.00 0.00 O ATOM 0 H GLU A 79 -4.624 -8.097 -5.420 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.718 -10.633 -6.236 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.509 -8.487 -7.162 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.903 -8.130 -7.767 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.198 -9.383 -9.617 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.848 -10.733 -8.708 1.00 0.00 H new ATOM 1232 N ALA A 80 -2.600 -10.284 -6.419 1.00 0.00 N ATOM 1233 CA ALA A 80 -1.342 -10.870 -6.862 1.00 0.00 C ATOM 1234 C ALA A 80 -1.008 -12.132 -6.071 1.00 0.00 C ATOM 1235 O ALA A 80 -0.761 -13.189 -6.652 1.00 0.00 O ATOM 1236 CB ALA A 80 -0.223 -9.849 -6.738 1.00 0.00 C ATOM 0 H ALA A 80 -2.520 -9.679 -5.601 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.448 -11.156 -7.908 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.714 -10.294 -7.071 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.452 -8.981 -7.356 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.128 -9.538 -5.698 1.00 0.00 H new ATOM 1242 N VAL A 81 -1.005 -12.020 -4.745 1.00 0.00 N ATOM 1243 CA VAL A 81 -0.702 -13.160 -3.880 1.00 0.00 C ATOM 1244 C VAL A 81 -1.581 -14.359 -4.222 1.00 0.00 C ATOM 1245 O VAL A 81 -1.168 -15.510 -4.083 1.00 0.00 O ATOM 1246 CB VAL A 81 -0.901 -12.810 -2.392 1.00 0.00 C ATOM 1247 CG1 VAL A 81 -0.413 -13.945 -1.505 1.00 0.00 C ATOM 1248 CG2 VAL A 81 -0.191 -11.510 -2.045 1.00 0.00 C ATOM 0 H VAL A 81 -1.208 -11.154 -4.246 1.00 0.00 H new ATOM 0 HA VAL A 81 0.344 -13.413 -4.052 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.967 -12.672 -2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.562 -13.679 -0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.974 -14.851 -1.732 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.647 -14.119 -1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.345 -11.282 -0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.876 -11.614 -2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.595 -10.701 -2.654 1.00 0.00 H new ATOM 1258 N GLU A 82 -2.798 -14.072 -4.664 1.00 0.00 N ATOM 1259 CA GLU A 82 -3.758 -15.112 -5.026 1.00 0.00 C ATOM 1260 C GLU A 82 -3.189 -16.068 -6.071 1.00 0.00 C ATOM 1261 O GLU A 82 -3.290 -17.287 -5.930 1.00 0.00 O ATOM 1262 CB GLU A 82 -5.041 -14.474 -5.559 1.00 0.00 C ATOM 1263 CG GLU A 82 -4.793 -13.271 -6.455 1.00 0.00 C ATOM 1264 CD GLU A 82 -5.521 -13.369 -7.781 1.00 0.00 C ATOM 1265 OE1 GLU A 82 -5.043 -14.107 -8.668 1.00 0.00 O ATOM 1266 OE2 GLU A 82 -6.571 -12.710 -7.932 1.00 0.00 O ATOM 0 H GLU A 82 -3.148 -13.121 -4.782 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.976 -15.688 -4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.605 -15.222 -6.116 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.662 -14.168 -4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.110 -12.366 -5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.723 -13.175 -6.639 1.00 0.00 H new ATOM 1273 N GLN A 83 -2.593 -15.511 -7.120 1.00 0.00 N ATOM 1274 CA GLN A 83 -2.012 -16.318 -8.188 1.00 0.00 C ATOM 1275 C GLN A 83 -0.501 -16.433 -8.021 1.00 0.00 C ATOM 1276 O GLN A 83 0.194 -16.936 -8.903 1.00 0.00 O ATOM 1277 CB GLN A 83 -2.341 -15.705 -9.551 1.00 0.00 C ATOM 1278 CG GLN A 83 -2.734 -16.731 -10.601 1.00 0.00 C ATOM 1279 CD GLN A 83 -1.991 -16.541 -11.910 1.00 0.00 C ATOM 1280 OE1 GLN A 83 -1.000 -17.220 -12.179 1.00 0.00 O ATOM 1281 NE2 GLN A 83 -2.469 -15.614 -12.732 1.00 0.00 N ATOM 0 H GLN A 83 -2.499 -14.504 -7.254 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.442 -17.318 -8.132 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.155 -14.990 -9.431 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.476 -15.146 -9.907 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.536 -17.732 -10.217 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -3.807 -16.666 -10.784 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -3.293 -15.074 -12.468 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.012 -15.442 -13.627 1.00 0.00 H new ATOM 1290 N ASN A 84 0.001 -15.948 -6.891 1.00 0.00 N ATOM 1291 CA ASN A 84 1.426 -15.975 -6.605 1.00 0.00 C ATOM 1292 C ASN A 84 2.145 -14.909 -7.420 1.00 0.00 C ATOM 1293 O ASN A 84 3.354 -14.986 -7.638 1.00 0.00 O ATOM 1294 CB ASN A 84 2.021 -17.357 -6.895 1.00 0.00 C ATOM 1295 CG ASN A 84 1.145 -18.484 -6.383 1.00 0.00 C ATOM 1296 OD1 ASN A 84 0.735 -19.361 -7.144 1.00 0.00 O ATOM 1297 ND2 ASN A 84 0.854 -18.466 -5.088 1.00 0.00 N ATOM 0 H ASN A 84 -0.566 -15.528 -6.154 1.00 0.00 H new ATOM 0 HA ASN A 84 1.564 -15.764 -5.544 1.00 0.00 H new ATOM 0 HB2 ASN A 84 2.162 -17.470 -7.970 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.006 -17.429 -6.435 1.00 0.00 H new ATOM 0 HD21 ASN A 84 0.269 -19.199 -4.687 1.00 0.00 H new ATOM 0 HD22 ASN A 84 1.216 -17.720 -4.494 1.00 0.00 H new ATOM 1304 N THR A 85 1.386 -13.912 -7.865 1.00 0.00 N ATOM 1305 CA THR A 85 1.940 -12.824 -8.652 1.00 0.00 C ATOM 1306 C THR A 85 2.527 -11.745 -7.746 1.00 0.00 C ATOM 1307 O THR A 85 3.319 -10.916 -8.194 1.00 0.00 O ATOM 1308 CB THR A 85 0.867 -12.222 -9.563 1.00 0.00 C ATOM 1309 OG1 THR A 85 -0.424 -12.660 -9.178 1.00 0.00 O ATOM 1310 CG2 THR A 85 1.055 -12.577 -11.022 1.00 0.00 C ATOM 0 H THR A 85 0.384 -13.838 -7.691 1.00 0.00 H new ATOM 0 HA THR A 85 2.741 -13.227 -9.272 1.00 0.00 H new ATOM 0 HB THR A 85 0.966 -11.142 -9.451 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.095 -12.263 -9.772 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.262 -12.119 -11.613 1.00 0.00 H new ATOM 0 HG22 THR A 85 2.022 -12.208 -11.365 1.00 0.00 H new ATOM 0 HG23 THR A 85 1.017 -13.660 -11.141 1.00 0.00 H new ATOM 1318 N LEU A 86 2.125 -11.760 -6.471 1.00 0.00 N ATOM 1319 CA LEU A 86 2.599 -10.786 -5.485 1.00 0.00 C ATOM 1320 C LEU A 86 4.023 -10.311 -5.775 1.00 0.00 C ATOM 1321 O LEU A 86 4.306 -9.114 -5.722 1.00 0.00 O ATOM 1322 CB LEU A 86 2.531 -11.392 -4.083 1.00 0.00 C ATOM 1323 CG LEU A 86 2.649 -10.392 -2.933 1.00 0.00 C ATOM 1324 CD1 LEU A 86 4.092 -9.946 -2.763 1.00 0.00 C ATOM 1325 CD2 LEU A 86 1.741 -9.193 -3.164 1.00 0.00 C ATOM 0 H LEU A 86 1.467 -12.443 -6.096 1.00 0.00 H new ATOM 0 HA LEU A 86 1.946 -9.916 -5.548 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.587 -11.927 -3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.328 -12.129 -3.985 1.00 0.00 H new ATOM 0 HG LEU A 86 2.330 -10.887 -2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.158 -9.234 -1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.717 -10.812 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.437 -9.472 -3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.842 -8.495 -2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.024 -8.696 -4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.706 -9.528 -3.233 1.00 0.00 H new ATOM 1337 N GLN A 87 4.915 -11.248 -6.086 1.00 0.00 N ATOM 1338 CA GLN A 87 6.301 -10.900 -6.386 1.00 0.00 C ATOM 1339 C GLN A 87 6.365 -9.926 -7.555 1.00 0.00 C ATOM 1340 O GLN A 87 6.941 -8.846 -7.443 1.00 0.00 O ATOM 1341 CB GLN A 87 7.122 -12.150 -6.711 1.00 0.00 C ATOM 1342 CG GLN A 87 8.492 -11.838 -7.296 1.00 0.00 C ATOM 1343 CD GLN A 87 9.404 -13.049 -7.331 1.00 0.00 C ATOM 1344 OE1 GLN A 87 10.266 -13.217 -6.469 1.00 0.00 O ATOM 1345 NE2 GLN A 87 9.217 -13.901 -8.333 1.00 0.00 N ATOM 0 H GLN A 87 4.706 -12.245 -6.137 1.00 0.00 H new ATOM 0 HA GLN A 87 6.725 -10.425 -5.501 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.249 -12.739 -5.803 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.566 -12.768 -7.416 1.00 0.00 H new ATOM 0 HG2 GLN A 87 8.371 -11.451 -8.308 1.00 0.00 H new ATOM 0 HG3 GLN A 87 8.963 -11.051 -6.707 1.00 0.00 H new ATOM 0 HE21 GLN A 87 8.490 -13.722 -9.026 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.800 -14.734 -8.410 1.00 0.00 H new ATOM 1354 N GLU A 88 5.763 -10.317 -8.675 1.00 0.00 N ATOM 1355 CA GLU A 88 5.742 -9.482 -9.874 1.00 0.00 C ATOM 1356 C GLU A 88 5.396 -8.033 -9.535 1.00 0.00 C ATOM 1357 O GLU A 88 5.764 -7.111 -10.261 1.00 0.00 O ATOM 1358 CB GLU A 88 4.734 -10.033 -10.884 1.00 0.00 C ATOM 1359 CG GLU A 88 5.165 -9.858 -12.331 1.00 0.00 C ATOM 1360 CD GLU A 88 4.560 -8.626 -12.974 1.00 0.00 C ATOM 1361 OE1 GLU A 88 3.384 -8.690 -13.389 1.00 0.00 O ATOM 1362 OE2 GLU A 88 5.262 -7.597 -13.063 1.00 0.00 O ATOM 0 H GLU A 88 5.281 -11.210 -8.778 1.00 0.00 H new ATOM 0 HA GLU A 88 6.740 -9.501 -10.312 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.577 -11.093 -10.686 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.775 -9.536 -10.736 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.252 -9.791 -12.377 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.876 -10.740 -12.902 1.00 0.00 H new ATOM 1369 N PHE A 89 4.681 -7.842 -8.430 1.00 0.00 N ATOM 1370 CA PHE A 89 4.280 -6.511 -7.996 1.00 0.00 C ATOM 1371 C PHE A 89 5.235 -5.958 -6.940 1.00 0.00 C ATOM 1372 O PHE A 89 5.363 -4.744 -6.783 1.00 0.00 O ATOM 1373 CB PHE A 89 2.853 -6.558 -7.445 1.00 0.00 C ATOM 1374 CG PHE A 89 2.324 -5.225 -6.998 1.00 0.00 C ATOM 1375 CD1 PHE A 89 2.801 -4.625 -5.844 1.00 0.00 C ATOM 1376 CD2 PHE A 89 1.343 -4.576 -7.730 1.00 0.00 C ATOM 1377 CE1 PHE A 89 2.310 -3.402 -5.428 1.00 0.00 C ATOM 1378 CE2 PHE A 89 0.849 -3.353 -7.320 1.00 0.00 C ATOM 1379 CZ PHE A 89 1.332 -2.765 -6.168 1.00 0.00 C ATOM 0 H PHE A 89 4.368 -8.596 -7.818 1.00 0.00 H new ATOM 0 HA PHE A 89 4.316 -5.845 -8.858 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.192 -6.960 -8.212 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.823 -7.250 -6.603 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.566 -5.119 -5.263 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.960 -5.031 -8.631 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.690 -2.945 -4.526 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.085 -2.857 -7.900 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.946 -1.809 -5.846 1.00 0.00 H new ATOM 1389 N LEU A 90 5.901 -6.852 -6.214 1.00 0.00 N ATOM 1390 CA LEU A 90 6.837 -6.442 -5.171 1.00 0.00 C ATOM 1391 C LEU A 90 8.281 -6.509 -5.660 1.00 0.00 C ATOM 1392 O LEU A 90 8.920 -5.480 -5.874 1.00 0.00 O ATOM 1393 CB LEU A 90 6.669 -7.324 -3.933 1.00 0.00 C ATOM 1394 CG LEU A 90 5.675 -6.804 -2.891 1.00 0.00 C ATOM 1395 CD1 LEU A 90 5.690 -7.688 -1.654 1.00 0.00 C ATOM 1396 CD2 LEU A 90 5.994 -5.363 -2.520 1.00 0.00 C ATOM 0 H LEU A 90 5.811 -7.862 -6.328 1.00 0.00 H new ATOM 0 HA LEU A 90 6.613 -5.407 -4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.349 -8.315 -4.254 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.642 -7.442 -3.456 1.00 0.00 H new ATOM 0 HG LEU A 90 4.675 -6.834 -3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.978 -7.304 -0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.413 -8.705 -1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.690 -7.689 -1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.277 -5.011 -1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.001 -5.308 -2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.933 -4.736 -3.410 1.00 0.00 H new