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 63 GLN : amide:sc= -2.75 K(o=-2.4,f=-1.3!) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= 0.349 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= -0.199 USER MOD Single : A 9 THR OG1 : rot -100:sc=0.000636 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -150:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 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= -1.39 K(o=-1.4,f=-2.5!) USER MOD Single : A 21 GLN : amide:sc= -2.86 K(o=-2.9,f=-1.1) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -84:sc= 0.228 USER MOD Single : A 31 LYS NZ :NH3+ 148:sc= -0.114 (180deg=-1.53!) USER MOD Single : A 34 GLN : amide:sc= -0.852 K(o=-0.85,f=0) USER MOD Single : A 35 TYR OH : rot 130:sc= -0.0777 USER MOD Single : A 36 GLN : amide:sc= -1.92 K(o=-1.9,f=-8.5!) USER MOD Single : A 41 SER OG : rot -100:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -172:sc= -1.7 (180deg=-1.94) USER MOD Single : A 56 ASN : amide:sc= -4.66! C(o=-4.7!,f=-3.9!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc=-0.00584 USER MOD Single : A 66 ASN : amide:sc= -0.248 X(o=-0.25,f=-0.071) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 CYS SG : rot 180:sc= -0.127 USER MOD Single : A 74 TYR OH : rot 30:sc= -0.509 USER MOD Single : A 83 GLN : amide:sc= -0.0187 X(o=-0.019,f=0) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.401 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 38 N LEU A 4 9.858 0.272 -1.035 1.00 0.00 N ATOM 39 CA LEU A 4 8.422 0.207 -1.277 1.00 0.00 C ATOM 40 C LEU A 4 7.681 1.198 -0.386 1.00 0.00 C ATOM 41 O LEU A 4 7.697 1.079 0.839 1.00 0.00 O ATOM 42 CB LEU A 4 7.904 -1.212 -1.031 1.00 0.00 C ATOM 43 CG LEU A 4 7.717 -2.060 -2.290 1.00 0.00 C ATOM 44 CD1 LEU A 4 6.601 -1.493 -3.154 1.00 0.00 C ATOM 45 CD2 LEU A 4 9.016 -2.136 -3.078 1.00 0.00 C ATOM 0 HA LEU A 4 8.238 0.473 -2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 4 8.598 -1.725 -0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.949 -1.149 -0.509 1.00 0.00 H new ATOM 0 HG LEU A 4 7.438 -3.069 -1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 4 6.482 -2.109 -4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.669 -1.489 -2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.851 -0.474 -3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.865 -2.743 -3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.324 -1.132 -3.370 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.791 -2.588 -2.459 1.00 0.00 H new ATOM 57 N ARG A 5 7.035 2.178 -1.009 1.00 0.00 N ATOM 58 CA ARG A 5 6.294 3.192 -0.272 1.00 0.00 C ATOM 59 C ARG A 5 4.824 2.803 -0.137 1.00 0.00 C ATOM 60 O ARG A 5 3.976 3.268 -0.899 1.00 0.00 O ATOM 61 CB ARG A 5 6.416 4.553 -0.966 1.00 0.00 C ATOM 62 CG ARG A 5 7.754 4.776 -1.654 1.00 0.00 C ATOM 63 CD ARG A 5 8.874 4.972 -0.644 1.00 0.00 C ATOM 64 NE ARG A 5 10.107 4.307 -1.058 1.00 0.00 N ATOM 65 CZ ARG A 5 11.308 4.598 -0.562 1.00 0.00 C ATOM 66 NH1 ARG A 5 11.442 5.540 0.363 1.00 0.00 N ATOM 67 NH2 ARG A 5 12.378 3.944 -0.993 1.00 0.00 N ATOM 0 H ARG A 5 7.010 2.291 -2.022 1.00 0.00 H new ATOM 0 HA ARG A 5 6.724 3.264 0.727 1.00 0.00 H new ATOM 0 HB2 ARG A 5 5.619 4.646 -1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 5 6.262 5.341 -0.229 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.983 3.922 -2.292 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.690 5.650 -2.302 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.063 6.038 -0.514 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.560 4.584 0.325 1.00 0.00 H new ATOM 0 HE ARG A 5 10.044 3.578 -1.768 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.622 6.046 0.698 1.00 0.00 H new ATOM 0 HH12 ARG A 5 12.365 5.758 0.739 1.00 0.00 H new ATOM 0 HH21 ARG A 5 12.281 3.219 -1.704 1.00 0.00 H new ATOM 0 HH22 ARG A 5 13.298 4.166 -0.614 1.00 0.00 H new ATOM 81 N VAL A 6 4.528 1.952 0.843 1.00 0.00 N ATOM 82 CA VAL A 6 3.160 1.508 1.084 1.00 0.00 C ATOM 83 C VAL A 6 2.394 2.542 1.901 1.00 0.00 C ATOM 84 O VAL A 6 2.740 2.818 3.047 1.00 0.00 O ATOM 85 CB VAL A 6 3.128 0.158 1.825 1.00 0.00 C ATOM 86 CG1 VAL A 6 1.708 -0.382 1.890 1.00 0.00 C ATOM 87 CG2 VAL A 6 4.057 -0.842 1.154 1.00 0.00 C ATOM 0 H VAL A 6 5.218 1.557 1.482 1.00 0.00 H new ATOM 0 HA VAL A 6 2.686 1.386 0.110 1.00 0.00 H new ATOM 0 HB VAL A 6 3.479 0.316 2.845 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.705 -1.336 2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.073 0.327 2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.326 -0.525 0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.021 -1.790 1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.740 -0.998 0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.076 -0.457 1.166 1.00 0.00 H new ATOM 97 N TYR A 7 1.358 3.118 1.302 1.00 0.00 N ATOM 98 CA TYR A 7 0.557 4.132 1.980 1.00 0.00 C ATOM 99 C TYR A 7 -0.442 3.496 2.940 1.00 0.00 C ATOM 100 O TYR A 7 -0.879 2.363 2.741 1.00 0.00 O ATOM 101 CB TYR A 7 -0.187 4.992 0.955 1.00 0.00 C ATOM 102 CG TYR A 7 0.674 6.058 0.316 1.00 0.00 C ATOM 103 CD1 TYR A 7 1.770 5.716 -0.466 1.00 0.00 C ATOM 104 CD2 TYR A 7 0.391 7.406 0.495 1.00 0.00 C ATOM 105 CE1 TYR A 7 2.559 6.688 -1.052 1.00 0.00 C ATOM 106 CE2 TYR A 7 1.175 8.383 -0.087 1.00 0.00 C ATOM 107 CZ TYR A 7 2.258 8.019 -0.859 1.00 0.00 C ATOM 108 OH TYR A 7 3.041 8.990 -1.440 1.00 0.00 O ATOM 0 H TYR A 7 1.053 2.902 0.353 1.00 0.00 H new ATOM 0 HA TYR A 7 1.235 4.761 2.557 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.588 4.346 0.174 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.037 5.468 1.443 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.009 4.674 -0.619 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.456 7.695 1.099 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.407 6.406 -1.658 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.941 9.427 0.062 1.00 0.00 H new ATOM 0 HH TYR A 7 2.692 9.875 -1.206 1.00 0.00 H new ATOM 118 N SER A 8 -0.796 4.239 3.984 1.00 0.00 N ATOM 119 CA SER A 8 -1.743 3.759 4.983 1.00 0.00 C ATOM 120 C SER A 8 -2.340 4.927 5.761 1.00 0.00 C ATOM 121 O SER A 8 -2.007 6.086 5.511 1.00 0.00 O ATOM 122 CB SER A 8 -1.057 2.787 5.943 1.00 0.00 C ATOM 123 OG SER A 8 -1.931 1.736 6.317 1.00 0.00 O ATOM 0 H SER A 8 -0.440 5.178 4.160 1.00 0.00 H new ATOM 0 HA SER A 8 -2.548 3.236 4.467 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.166 2.373 5.471 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.726 3.323 6.833 1.00 0.00 H new ATOM 0 HG SER A 8 -1.468 1.128 6.930 1.00 0.00 H new ATOM 129 N THR A 9 -3.222 4.617 6.705 1.00 0.00 N ATOM 130 CA THR A 9 -3.863 5.645 7.518 1.00 0.00 C ATOM 131 C THR A 9 -3.654 5.374 9.004 1.00 0.00 C ATOM 132 O THR A 9 -4.149 4.382 9.540 1.00 0.00 O ATOM 133 CB THR A 9 -5.358 5.714 7.205 1.00 0.00 C ATOM 134 OG1 THR A 9 -6.036 6.500 8.169 1.00 0.00 O ATOM 135 CG2 THR A 9 -6.025 4.356 7.169 1.00 0.00 C ATOM 0 H THR A 9 -3.509 3.664 6.926 1.00 0.00 H new ATOM 0 HA THR A 9 -3.404 6.603 7.275 1.00 0.00 H new ATOM 0 HB THR A 9 -5.425 6.160 6.213 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.471 5.913 8.823 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.084 4.477 6.942 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.557 3.741 6.400 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.915 3.871 8.139 1.00 0.00 H new ATOM 143 N SER A 10 -2.919 6.263 9.665 1.00 0.00 N ATOM 144 CA SER A 10 -2.646 6.120 11.090 1.00 0.00 C ATOM 145 C SER A 10 -3.934 6.220 11.901 1.00 0.00 C ATOM 146 O SER A 10 -4.196 5.391 12.773 1.00 0.00 O ATOM 147 CB SER A 10 -1.655 7.191 11.550 1.00 0.00 C ATOM 148 OG SER A 10 -0.891 6.738 12.655 1.00 0.00 O ATOM 0 H SER A 10 -2.502 7.089 9.236 1.00 0.00 H new ATOM 0 HA SER A 10 -2.208 5.135 11.255 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.990 7.453 10.727 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.195 8.097 11.824 1.00 0.00 H new ATOM 0 HG SER A 10 -0.264 7.440 12.929 1.00 0.00 H new ATOM 154 N VAL A 11 -4.735 7.239 11.607 1.00 0.00 N ATOM 155 CA VAL A 11 -5.996 7.447 12.308 1.00 0.00 C ATOM 156 C VAL A 11 -7.156 6.813 11.545 1.00 0.00 C ATOM 157 O VAL A 11 -7.536 7.280 10.471 1.00 0.00 O ATOM 158 CB VAL A 11 -6.282 8.948 12.517 1.00 0.00 C ATOM 159 CG1 VAL A 11 -6.414 9.665 11.181 1.00 0.00 C ATOM 160 CG2 VAL A 11 -7.533 9.143 13.363 1.00 0.00 C ATOM 0 H VAL A 11 -4.533 7.934 10.888 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.903 6.968 13.283 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.438 9.385 13.051 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.616 10.722 11.354 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.486 9.560 10.618 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.235 9.227 10.613 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.718 10.209 13.499 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.387 8.688 12.861 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -7.391 8.672 14.336 1.00 0.00 H new ATOM 170 N THR A 12 -7.715 5.746 12.107 1.00 0.00 N ATOM 171 CA THR A 12 -8.830 5.048 11.480 1.00 0.00 C ATOM 172 C THR A 12 -10.164 5.637 11.926 1.00 0.00 C ATOM 173 O THR A 12 -10.253 6.270 12.979 1.00 0.00 O ATOM 174 CB THR A 12 -8.780 3.557 11.818 1.00 0.00 C ATOM 175 OG1 THR A 12 -9.140 3.337 13.170 1.00 0.00 O ATOM 176 CG2 THR A 12 -7.415 2.940 11.600 1.00 0.00 C ATOM 0 H THR A 12 -7.413 5.346 12.996 1.00 0.00 H new ATOM 0 HA THR A 12 -8.742 5.173 10.401 1.00 0.00 H new ATOM 0 HB THR A 12 -9.488 3.083 11.139 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.677 2.542 13.507 1.00 0.00 H new ATOM 0 HG21 THR A 12 -7.449 1.882 11.858 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.129 3.049 10.554 1.00 0.00 H new ATOM 0 HG23 THR A 12 -6.683 3.444 12.231 1.00 0.00 H new ATOM 184 N GLY A 13 -11.198 5.425 11.119 1.00 0.00 N ATOM 185 CA GLY A 13 -12.513 5.942 11.447 1.00 0.00 C ATOM 186 C GLY A 13 -13.617 4.944 11.158 1.00 0.00 C ATOM 187 O GLY A 13 -14.520 4.753 11.973 1.00 0.00 O ATOM 0 H GLY A 13 -11.149 4.904 10.243 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -12.540 6.214 12.502 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.694 6.854 10.878 1.00 0.00 H new ATOM 191 N SER A 14 -13.546 4.306 9.994 1.00 0.00 N ATOM 192 CA SER A 14 -14.547 3.322 9.599 1.00 0.00 C ATOM 193 C SER A 14 -14.221 1.950 10.183 1.00 0.00 C ATOM 194 O SER A 14 -13.369 1.825 11.063 1.00 0.00 O ATOM 195 CB SER A 14 -14.632 3.235 8.074 1.00 0.00 C ATOM 196 OG SER A 14 -15.981 3.186 7.641 1.00 0.00 O ATOM 0 H SER A 14 -12.806 4.453 9.308 1.00 0.00 H new ATOM 0 HA SER A 14 -15.512 3.643 9.991 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.135 4.097 7.629 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.103 2.348 7.727 1.00 0.00 H new ATOM 0 HG SER A 14 -16.009 3.132 6.663 1.00 0.00 H new ATOM 202 N ARG A 15 -14.907 0.923 9.689 1.00 0.00 N ATOM 203 CA ARG A 15 -14.690 -0.442 10.163 1.00 0.00 C ATOM 204 C ARG A 15 -14.029 -1.302 9.101 1.00 0.00 C ATOM 205 O ARG A 15 -13.527 -2.392 9.377 1.00 0.00 O ATOM 206 CB ARG A 15 -16.013 -1.069 10.588 1.00 0.00 C ATOM 207 CG ARG A 15 -15.853 -2.348 11.393 1.00 0.00 C ATOM 208 CD ARG A 15 -17.113 -3.197 11.346 1.00 0.00 C ATOM 209 NE ARG A 15 -17.098 -4.255 12.353 1.00 0.00 N ATOM 210 CZ ARG A 15 -18.108 -5.097 12.560 1.00 0.00 C ATOM 211 NH1 ARG A 15 -19.215 -5.007 11.832 1.00 0.00 N ATOM 212 NH2 ARG A 15 -18.013 -6.030 13.497 1.00 0.00 N ATOM 0 H ARG A 15 -15.617 1.009 8.962 1.00 0.00 H new ATOM 0 HA ARG A 15 -14.021 -0.392 11.022 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.574 -0.346 11.180 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -16.606 -1.282 9.699 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.012 -2.921 11.004 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -15.618 -2.101 12.428 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -17.985 -2.561 11.501 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -17.214 -3.641 10.356 1.00 0.00 H new ATOM 0 HE ARG A 15 -16.264 -4.355 12.932 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -19.294 -4.290 11.110 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -19.986 -5.655 11.994 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -17.166 -6.103 14.060 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -18.787 -6.675 13.655 1.00 0.00 H new ATOM 226 N GLU A 16 -14.036 -0.792 7.895 1.00 0.00 N ATOM 227 CA GLU A 16 -13.440 -1.476 6.754 1.00 0.00 C ATOM 228 C GLU A 16 -12.061 -0.905 6.446 1.00 0.00 C ATOM 229 O GLU A 16 -11.175 -1.613 5.969 1.00 0.00 O ATOM 230 CB GLU A 16 -14.344 -1.351 5.527 1.00 0.00 C ATOM 231 CG GLU A 16 -15.741 -1.912 5.740 1.00 0.00 C ATOM 232 CD GLU A 16 -16.707 -0.878 6.285 1.00 0.00 C ATOM 233 OE1 GLU A 16 -16.778 0.229 5.711 1.00 0.00 O ATOM 234 OE2 GLU A 16 -17.393 -1.175 7.286 1.00 0.00 O ATOM 0 H GLU A 16 -14.454 0.110 7.667 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.332 -2.531 7.007 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.422 -0.300 5.249 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.878 -1.868 4.688 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -16.122 -2.297 4.794 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.689 -2.755 6.430 1.00 0.00 H new ATOM 241 N ILE A 17 -11.890 0.383 6.726 1.00 0.00 N ATOM 242 CA ILE A 17 -10.623 1.061 6.485 1.00 0.00 C ATOM 243 C ILE A 17 -9.482 0.377 7.234 1.00 0.00 C ATOM 244 O ILE A 17 -8.336 0.391 6.787 1.00 0.00 O ATOM 245 CB ILE A 17 -10.695 2.542 6.910 1.00 0.00 C ATOM 246 CG1 ILE A 17 -11.830 3.252 6.171 1.00 0.00 C ATOM 247 CG2 ILE A 17 -9.368 3.242 6.649 1.00 0.00 C ATOM 248 CD1 ILE A 17 -11.619 3.335 4.675 1.00 0.00 C ATOM 0 H ILE A 17 -12.617 0.979 7.122 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.429 1.007 5.414 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.897 2.584 7.980 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -12.765 2.728 6.369 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -11.938 4.260 6.571 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.441 4.285 6.956 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.579 2.750 7.218 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.133 3.192 5.586 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.463 3.851 4.217 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -10.701 3.885 4.467 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -11.541 2.329 4.262 1.00 0.00 H new ATOM 260 N LYS A 18 -9.805 -0.221 8.376 1.00 0.00 N ATOM 261 CA LYS A 18 -8.808 -0.910 9.187 1.00 0.00 C ATOM 262 C LYS A 18 -8.482 -2.281 8.603 1.00 0.00 C ATOM 263 O LYS A 18 -7.362 -2.774 8.738 1.00 0.00 O ATOM 264 CB LYS A 18 -9.305 -1.061 10.626 1.00 0.00 C ATOM 265 CG LYS A 18 -9.848 0.229 11.220 1.00 0.00 C ATOM 266 CD LYS A 18 -10.956 -0.044 12.224 1.00 0.00 C ATOM 267 CE LYS A 18 -10.403 -0.223 13.629 1.00 0.00 C ATOM 268 NZ LYS A 18 -11.470 -0.578 14.605 1.00 0.00 N ATOM 0 H LYS A 18 -10.749 -0.242 8.761 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.898 -0.309 9.185 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.086 -1.821 10.654 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.486 -1.422 11.249 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.040 0.775 11.707 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.228 0.867 10.422 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.668 0.781 12.215 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.502 -0.940 11.930 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.642 -1.004 13.623 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.913 0.697 13.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.052 -0.691 15.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.183 0.179 14.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.921 -1.470 14.317 1.00 0.00 H new ATOM 282 N SER A 19 -9.468 -2.893 7.956 1.00 0.00 N ATOM 283 CA SER A 19 -9.286 -4.208 7.352 1.00 0.00 C ATOM 284 C SER A 19 -8.310 -4.142 6.182 1.00 0.00 C ATOM 285 O SER A 19 -7.606 -5.110 5.893 1.00 0.00 O ATOM 286 CB SER A 19 -10.630 -4.765 6.879 1.00 0.00 C ATOM 287 OG SER A 19 -10.634 -6.182 6.909 1.00 0.00 O ATOM 0 H SER A 19 -10.401 -2.500 7.836 1.00 0.00 H new ATOM 0 HA SER A 19 -8.870 -4.872 8.110 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.429 -4.382 7.514 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.834 -4.419 5.866 1.00 0.00 H new ATOM 0 HG SER A 19 -11.504 -6.513 6.604 1.00 0.00 H new ATOM 293 N GLN A 20 -8.274 -2.996 5.510 1.00 0.00 N ATOM 294 CA GLN A 20 -7.384 -2.807 4.370 1.00 0.00 C ATOM 295 C GLN A 20 -5.924 -2.801 4.812 1.00 0.00 C ATOM 296 O GLN A 20 -5.156 -3.698 4.465 1.00 0.00 O ATOM 297 CB GLN A 20 -7.715 -1.499 3.647 1.00 0.00 C ATOM 298 CG GLN A 20 -9.203 -1.289 3.418 1.00 0.00 C ATOM 299 CD GLN A 20 -9.862 -2.472 2.736 1.00 0.00 C ATOM 300 OE1 GLN A 20 -9.191 -3.305 2.127 1.00 0.00 O ATOM 301 NE2 GLN A 20 -11.184 -2.551 2.836 1.00 0.00 N ATOM 0 H GLN A 20 -8.850 -2.185 5.735 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.534 -3.641 3.684 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.324 -0.664 4.228 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.203 -1.486 2.685 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.692 -1.108 4.375 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.351 -0.396 2.811 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.700 -1.838 3.351 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.683 -3.325 2.398 1.00 0.00 H new ATOM 310 N GLN A 21 -5.548 -1.783 5.579 1.00 0.00 N ATOM 311 CA GLN A 21 -4.179 -1.659 6.069 1.00 0.00 C ATOM 312 C GLN A 21 -3.781 -2.877 6.896 1.00 0.00 C ATOM 313 O GLN A 21 -2.643 -3.342 6.826 1.00 0.00 O ATOM 314 CB GLN A 21 -4.028 -0.388 6.907 1.00 0.00 C ATOM 315 CG GLN A 21 -5.134 -0.201 7.934 1.00 0.00 C ATOM 316 CD GLN A 21 -4.786 0.836 8.983 1.00 0.00 C ATOM 317 OE1 GLN A 21 -3.721 0.781 9.598 1.00 0.00 O ATOM 318 NE2 GLN A 21 -5.685 1.790 9.193 1.00 0.00 N ATOM 0 H GLN A 21 -6.171 -1.032 5.875 1.00 0.00 H new ATOM 0 HA GLN A 21 -3.517 -1.599 5.205 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.067 -0.414 7.421 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.011 0.476 6.242 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.051 0.096 7.425 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.335 -1.154 8.423 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.555 1.797 8.660 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.506 2.516 9.887 1.00 0.00 H new ATOM 327 N SER A 22 -4.724 -3.388 7.680 1.00 0.00 N ATOM 328 CA SER A 22 -4.471 -4.552 8.521 1.00 0.00 C ATOM 329 C SER A 22 -4.134 -5.775 7.674 1.00 0.00 C ATOM 330 O SER A 22 -3.242 -6.552 8.014 1.00 0.00 O ATOM 331 CB SER A 22 -5.687 -4.846 9.401 1.00 0.00 C ATOM 332 OG SER A 22 -5.437 -5.935 10.272 1.00 0.00 O ATOM 0 H SER A 22 -5.670 -3.014 7.751 1.00 0.00 H new ATOM 0 HA SER A 22 -3.615 -4.328 9.158 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.940 -3.961 9.984 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.549 -5.070 8.772 1.00 0.00 H new ATOM 0 HG SER A 22 -6.229 -6.101 10.824 1.00 0.00 H new ATOM 338 N GLU A 23 -4.856 -5.940 6.570 1.00 0.00 N ATOM 339 CA GLU A 23 -4.635 -7.070 5.675 1.00 0.00 C ATOM 340 C GLU A 23 -3.257 -6.990 5.024 1.00 0.00 C ATOM 341 O GLU A 23 -2.494 -7.955 5.043 1.00 0.00 O ATOM 342 CB GLU A 23 -5.719 -7.112 4.597 1.00 0.00 C ATOM 343 CG GLU A 23 -5.581 -8.285 3.640 1.00 0.00 C ATOM 344 CD GLU A 23 -5.704 -9.625 4.338 1.00 0.00 C ATOM 345 OE1 GLU A 23 -6.843 -10.025 4.659 1.00 0.00 O ATOM 346 OE2 GLU A 23 -4.661 -10.275 4.564 1.00 0.00 O ATOM 0 H GLU A 23 -5.598 -5.306 6.274 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.684 -7.984 6.267 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.696 -7.159 5.078 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.689 -6.183 4.027 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.346 -8.211 2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.615 -8.228 3.138 1.00 0.00 H new ATOM 353 N VAL A 24 -2.946 -5.833 4.448 1.00 0.00 N ATOM 354 CA VAL A 24 -1.661 -5.628 3.789 1.00 0.00 C ATOM 355 C VAL A 24 -0.502 -5.882 4.748 1.00 0.00 C ATOM 356 O VAL A 24 0.363 -6.717 4.484 1.00 0.00 O ATOM 357 CB VAL A 24 -1.541 -4.199 3.225 1.00 0.00 C ATOM 358 CG1 VAL A 24 -0.284 -4.062 2.379 1.00 0.00 C ATOM 359 CG2 VAL A 24 -2.778 -3.838 2.419 1.00 0.00 C ATOM 0 H VAL A 24 -3.566 -5.023 4.424 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.611 -6.342 2.967 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.465 -3.503 4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.217 -3.046 1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.592 -4.275 2.992 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.326 -4.767 1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.675 -2.825 2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.889 -4.537 1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.658 -3.892 3.060 1.00 0.00 H new ATOM 369 N THR A 25 -0.490 -5.156 5.861 1.00 0.00 N ATOM 370 CA THR A 25 0.563 -5.302 6.858 1.00 0.00 C ATOM 371 C THR A 25 0.612 -6.728 7.397 1.00 0.00 C ATOM 372 O THR A 25 1.669 -7.214 7.799 1.00 0.00 O ATOM 373 CB THR A 25 0.344 -4.318 8.009 1.00 0.00 C ATOM 374 OG1 THR A 25 -0.771 -4.703 8.792 1.00 0.00 O ATOM 375 CG2 THR A 25 0.110 -2.897 7.544 1.00 0.00 C ATOM 0 H THR A 25 -1.198 -4.460 6.095 1.00 0.00 H new ATOM 0 HA THR A 25 1.516 -5.083 6.376 1.00 0.00 H new ATOM 0 HB THR A 25 1.264 -4.346 8.592 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.593 -4.362 8.381 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.038 -2.251 8.409 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.975 -2.552 6.978 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.776 -2.863 6.910 1.00 0.00 H new ATOM 383 N ARG A 26 -0.538 -7.394 7.404 1.00 0.00 N ATOM 384 CA ARG A 26 -0.625 -8.765 7.895 1.00 0.00 C ATOM 385 C ARG A 26 0.022 -9.740 6.916 1.00 0.00 C ATOM 386 O ARG A 26 0.530 -10.789 7.315 1.00 0.00 O ATOM 387 CB ARG A 26 -2.086 -9.153 8.127 1.00 0.00 C ATOM 388 CG ARG A 26 -2.603 -8.782 9.508 1.00 0.00 C ATOM 389 CD ARG A 26 -4.118 -8.877 9.580 1.00 0.00 C ATOM 390 NE ARG A 26 -4.602 -10.205 9.207 1.00 0.00 N ATOM 391 CZ ARG A 26 -4.583 -11.257 10.022 1.00 0.00 C ATOM 392 NH1 ARG A 26 -4.107 -11.141 11.256 1.00 0.00 N ATOM 393 NH2 ARG A 26 -5.042 -12.428 9.603 1.00 0.00 N ATOM 0 H ARG A 26 -1.423 -7.007 7.075 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.085 -8.819 8.841 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.706 -8.667 7.374 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.195 -10.228 7.984 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -2.160 -9.443 10.253 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.289 -7.768 9.755 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.448 -8.642 10.592 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.560 -8.131 8.919 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.976 -10.333 8.267 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.753 -10.242 11.584 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.095 -11.951 11.876 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.410 -12.523 8.656 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.028 -13.234 10.227 1.00 0.00 H new ATOM 407 N ILE A 27 -0.001 -9.391 5.634 1.00 0.00 N ATOM 408 CA ILE A 27 0.583 -10.239 4.601 1.00 0.00 C ATOM 409 C ILE A 27 2.054 -9.904 4.376 1.00 0.00 C ATOM 410 O ILE A 27 2.841 -10.764 3.981 1.00 0.00 O ATOM 411 CB ILE A 27 -0.175 -10.101 3.266 1.00 0.00 C ATOM 412 CG1 ILE A 27 -1.675 -10.314 3.479 1.00 0.00 C ATOM 413 CG2 ILE A 27 0.365 -11.091 2.244 1.00 0.00 C ATOM 414 CD1 ILE A 27 -2.541 -9.487 2.554 1.00 0.00 C ATOM 0 H ILE A 27 -0.417 -8.527 5.286 1.00 0.00 H new ATOM 0 HA ILE A 27 0.500 -11.267 4.954 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.021 -9.092 2.883 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.908 -11.369 3.335 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.925 -10.071 4.512 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.181 -10.981 1.307 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.424 -10.896 2.072 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.240 -12.107 2.620 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.592 -9.689 2.762 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.337 -8.428 2.714 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.319 -9.747 1.519 1.00 0.00 H new ATOM 426 N LEU A 28 2.420 -8.651 4.626 1.00 0.00 N ATOM 427 CA LEU A 28 3.799 -8.208 4.448 1.00 0.00 C ATOM 428 C LEU A 28 4.667 -8.632 5.629 1.00 0.00 C ATOM 429 O LEU A 28 5.789 -9.107 5.450 1.00 0.00 O ATOM 430 CB LEU A 28 3.850 -6.688 4.284 1.00 0.00 C ATOM 431 CG LEU A 28 3.235 -6.155 2.990 1.00 0.00 C ATOM 432 CD1 LEU A 28 3.126 -4.639 3.037 1.00 0.00 C ATOM 433 CD2 LEU A 28 4.057 -6.595 1.788 1.00 0.00 C ATOM 0 H LEU A 28 1.782 -7.925 4.952 1.00 0.00 H new ATOM 0 HA LEU A 28 4.191 -8.679 3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.336 -6.229 5.128 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.891 -6.367 4.333 1.00 0.00 H new ATOM 0 HG LEU A 28 2.232 -6.569 2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.686 -4.277 2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.495 -4.345 3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.119 -4.207 3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.604 -6.206 0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.073 -6.211 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.084 -7.684 1.744 1.00 0.00 H new ATOM 445 N ASP A 29 4.139 -8.457 6.835 1.00 0.00 N ATOM 446 CA ASP A 29 4.863 -8.823 8.047 1.00 0.00 C ATOM 447 C ASP A 29 5.115 -10.326 8.091 1.00 0.00 C ATOM 448 O ASP A 29 6.184 -10.774 8.506 1.00 0.00 O ATOM 449 CB ASP A 29 4.079 -8.389 9.286 1.00 0.00 C ATOM 450 CG ASP A 29 4.984 -8.079 10.463 1.00 0.00 C ATOM 451 OD1 ASP A 29 5.978 -7.348 10.271 1.00 0.00 O ATOM 452 OD2 ASP A 29 4.698 -8.567 11.576 1.00 0.00 O ATOM 0 H ASP A 29 3.212 -8.064 7.000 1.00 0.00 H new ATOM 0 HA ASP A 29 5.824 -8.309 8.038 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.484 -7.507 9.046 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.381 -9.178 9.566 1.00 0.00 H new ATOM 457 N GLY A 30 4.125 -11.099 7.657 1.00 0.00 N ATOM 458 CA GLY A 30 4.260 -12.544 7.651 1.00 0.00 C ATOM 459 C GLY A 30 5.451 -13.011 6.837 1.00 0.00 C ATOM 460 O GLY A 30 5.973 -14.103 7.059 1.00 0.00 O ATOM 0 H GLY A 30 3.232 -10.751 7.309 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.362 -12.901 8.676 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.351 -12.989 7.247 1.00 0.00 H new ATOM 464 N LYS A 31 5.883 -12.179 5.893 1.00 0.00 N ATOM 465 CA LYS A 31 7.024 -12.512 5.045 1.00 0.00 C ATOM 466 C LYS A 31 8.303 -11.852 5.562 1.00 0.00 C ATOM 467 O LYS A 31 9.375 -12.025 4.983 1.00 0.00 O ATOM 468 CB LYS A 31 6.773 -12.092 3.587 1.00 0.00 C ATOM 469 CG LYS A 31 5.377 -11.542 3.320 1.00 0.00 C ATOM 470 CD LYS A 31 4.943 -11.781 1.881 1.00 0.00 C ATOM 471 CE LYS A 31 5.927 -11.183 0.886 1.00 0.00 C ATOM 472 NZ LYS A 31 6.181 -12.098 -0.261 1.00 0.00 N ATOM 0 H LYS A 31 5.461 -11.271 5.696 1.00 0.00 H new ATOM 0 HA LYS A 31 7.150 -13.594 5.079 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.507 -11.336 3.308 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.941 -12.953 2.940 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.665 -12.013 3.998 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.360 -10.473 3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.852 -12.852 1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.956 -11.346 1.722 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.537 -10.235 0.515 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.868 -10.965 1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.368 -11.538 -1.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.005 -12.697 -0.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.347 -12.700 -0.416 1.00 0.00 H new ATOM 486 N ARG A 32 8.186 -11.095 6.651 1.00 0.00 N ATOM 487 CA ARG A 32 9.336 -10.415 7.235 1.00 0.00 C ATOM 488 C ARG A 32 9.931 -9.413 6.251 1.00 0.00 C ATOM 489 O ARG A 32 11.147 -9.352 6.070 1.00 0.00 O ATOM 490 CB ARG A 32 10.399 -11.433 7.654 1.00 0.00 C ATOM 491 CG ARG A 32 9.844 -12.595 8.461 1.00 0.00 C ATOM 492 CD ARG A 32 10.706 -13.838 8.313 1.00 0.00 C ATOM 493 NE ARG A 32 11.651 -13.984 9.418 1.00 0.00 N ATOM 494 CZ ARG A 32 11.302 -14.353 10.648 1.00 0.00 C ATOM 495 NH1 ARG A 32 10.033 -14.615 10.935 1.00 0.00 N ATOM 496 NH2 ARG A 32 12.225 -14.462 11.594 1.00 0.00 N ATOM 0 H ARG A 32 7.307 -10.938 7.145 1.00 0.00 H new ATOM 0 HA ARG A 32 8.998 -9.872 8.118 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.889 -11.822 6.762 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.164 -10.926 8.242 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.786 -12.314 9.513 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.828 -12.814 8.133 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.066 -14.719 8.264 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.254 -13.789 7.372 1.00 0.00 H new ATOM 0 HE ARG A 32 12.636 -13.792 9.236 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.319 -14.534 10.211 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.772 -14.897 11.880 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.202 -14.263 11.379 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.958 -14.745 12.537 1.00 0.00 H new ATOM 510 N ILE A 33 9.065 -8.629 5.618 1.00 0.00 N ATOM 511 CA ILE A 33 9.503 -7.632 4.655 1.00 0.00 C ATOM 512 C ILE A 33 9.828 -6.313 5.343 1.00 0.00 C ATOM 513 O ILE A 33 9.386 -6.055 6.462 1.00 0.00 O ATOM 514 CB ILE A 33 8.434 -7.384 3.574 1.00 0.00 C ATOM 515 CG1 ILE A 33 7.946 -8.713 2.998 1.00 0.00 C ATOM 516 CG2 ILE A 33 8.988 -6.495 2.470 1.00 0.00 C ATOM 517 CD1 ILE A 33 6.902 -8.551 1.916 1.00 0.00 C ATOM 0 H ILE A 33 8.055 -8.667 5.756 1.00 0.00 H new ATOM 0 HA ILE A 33 10.402 -8.025 4.181 1.00 0.00 H new ATOM 0 HB ILE A 33 7.588 -6.873 4.033 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.798 -9.259 2.592 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.533 -9.320 3.804 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.219 -6.330 1.715 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.293 -5.537 2.892 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.850 -6.979 2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.600 -9.533 1.552 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.034 -8.032 2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.318 -7.971 1.093 1.00 0.00 H new ATOM 529 N GLN A 34 10.603 -5.485 4.660 1.00 0.00 N ATOM 530 CA GLN A 34 10.997 -4.185 5.192 1.00 0.00 C ATOM 531 C GLN A 34 10.346 -3.058 4.397 1.00 0.00 C ATOM 532 O GLN A 34 10.957 -2.016 4.162 1.00 0.00 O ATOM 533 CB GLN A 34 12.520 -4.036 5.159 1.00 0.00 C ATOM 534 CG GLN A 34 13.264 -5.276 5.627 1.00 0.00 C ATOM 535 CD GLN A 34 13.853 -6.071 4.478 1.00 0.00 C ATOM 536 OE1 GLN A 34 14.981 -5.825 4.051 1.00 0.00 O ATOM 537 NE2 GLN A 34 13.088 -7.031 3.970 1.00 0.00 N ATOM 0 H GLN A 34 10.974 -5.689 3.732 1.00 0.00 H new ATOM 0 HA GLN A 34 10.657 -4.123 6.226 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.831 -3.798 4.142 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.808 -3.192 5.786 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.063 -4.981 6.307 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.583 -5.912 6.193 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.159 -7.200 4.355 1.00 0.00 H new ATOM 0 HE22 GLN A 34 13.430 -7.599 3.195 1.00 0.00 H new ATOM 546 N TYR A 35 9.102 -3.278 3.986 1.00 0.00 N ATOM 547 CA TYR A 35 8.364 -2.285 3.215 1.00 0.00 C ATOM 548 C TYR A 35 8.163 -1.005 4.021 1.00 0.00 C ATOM 549 O TYR A 35 8.065 -1.040 5.247 1.00 0.00 O ATOM 550 CB TYR A 35 7.009 -2.852 2.778 1.00 0.00 C ATOM 551 CG TYR A 35 6.023 -3.025 3.914 1.00 0.00 C ATOM 552 CD1 TYR A 35 6.107 -4.111 4.776 1.00 0.00 C ATOM 553 CD2 TYR A 35 5.008 -2.099 4.123 1.00 0.00 C ATOM 554 CE1 TYR A 35 5.208 -4.270 5.813 1.00 0.00 C ATOM 555 CE2 TYR A 35 4.106 -2.250 5.159 1.00 0.00 C ATOM 556 CZ TYR A 35 4.210 -3.337 6.001 1.00 0.00 C ATOM 557 OH TYR A 35 3.313 -3.492 7.033 1.00 0.00 O ATOM 0 H TYR A 35 8.583 -4.136 4.174 1.00 0.00 H new ATOM 0 HA TYR A 35 8.949 -2.041 2.328 1.00 0.00 H new ATOM 0 HB2 TYR A 35 6.574 -2.191 2.029 1.00 0.00 H new ATOM 0 HB3 TYR A 35 7.168 -3.817 2.297 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.888 -4.843 4.633 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.923 -1.247 3.465 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.286 -5.121 6.473 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.324 -1.520 5.308 1.00 0.00 H new ATOM 0 HH TYR A 35 3.254 -2.657 7.543 1.00 0.00 H new ATOM 567 N GLN A 36 8.097 0.123 3.322 1.00 0.00 N ATOM 568 CA GLN A 36 7.903 1.414 3.966 1.00 0.00 C ATOM 569 C GLN A 36 6.434 1.623 4.308 1.00 0.00 C ATOM 570 O GLN A 36 5.586 0.795 3.976 1.00 0.00 O ATOM 571 CB GLN A 36 8.390 2.539 3.051 1.00 0.00 C ATOM 572 CG GLN A 36 8.875 3.769 3.800 1.00 0.00 C ATOM 573 CD GLN A 36 7.996 4.982 3.563 1.00 0.00 C ATOM 574 OE1 GLN A 36 7.018 5.203 4.277 1.00 0.00 O ATOM 575 NE2 GLN A 36 8.341 5.774 2.555 1.00 0.00 N ATOM 0 H GLN A 36 8.175 0.168 2.306 1.00 0.00 H new ATOM 0 HA GLN A 36 8.483 1.430 4.889 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.200 2.162 2.426 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.579 2.828 2.382 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.906 3.551 4.867 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.895 3.999 3.492 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.160 5.552 1.989 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.787 6.605 2.346 1.00 0.00 H new ATOM 584 N LEU A 37 6.136 2.734 4.968 1.00 0.00 N ATOM 585 CA LEU A 37 4.773 3.050 5.347 1.00 0.00 C ATOM 586 C LEU A 37 4.503 4.526 5.131 1.00 0.00 C ATOM 587 O LEU A 37 4.745 5.353 6.010 1.00 0.00 O ATOM 588 CB LEU A 37 4.531 2.674 6.802 1.00 0.00 C ATOM 589 CG LEU A 37 3.100 2.249 7.135 1.00 0.00 C ATOM 590 CD1 LEU A 37 2.927 0.752 6.927 1.00 0.00 C ATOM 591 CD2 LEU A 37 2.748 2.634 8.564 1.00 0.00 C ATOM 0 H LEU A 37 6.825 3.431 5.251 1.00 0.00 H new ATOM 0 HA LEU A 37 4.090 2.474 4.722 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.206 1.860 7.067 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.796 3.525 7.429 1.00 0.00 H new ATOM 0 HG LEU A 37 2.420 2.771 6.462 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.903 0.467 7.169 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.137 0.502 5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.617 0.212 7.576 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.726 2.324 8.783 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.433 2.140 9.253 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.832 3.714 8.681 1.00 0.00 H new ATOM 603 N VAL A 38 4.005 4.848 3.951 1.00 0.00 N ATOM 604 CA VAL A 38 3.703 6.231 3.608 1.00 0.00 C ATOM 605 C VAL A 38 2.376 6.646 4.222 1.00 0.00 C ATOM 606 O VAL A 38 1.344 6.677 3.554 1.00 0.00 O ATOM 607 CB VAL A 38 3.653 6.465 2.079 1.00 0.00 C ATOM 608 CG1 VAL A 38 4.253 7.817 1.727 1.00 0.00 C ATOM 609 CG2 VAL A 38 4.373 5.358 1.324 1.00 0.00 C ATOM 0 H VAL A 38 3.800 4.174 3.213 1.00 0.00 H new ATOM 0 HA VAL A 38 4.512 6.840 4.012 1.00 0.00 H new ATOM 0 HB VAL A 38 2.606 6.453 1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.209 7.965 0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.689 8.606 2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.292 7.851 2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.319 5.553 0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.417 5.325 1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.899 4.401 1.543 1.00 0.00 H new ATOM 619 N ASP A 39 2.418 6.961 5.508 1.00 0.00 N ATOM 620 CA ASP A 39 1.222 7.371 6.234 1.00 0.00 C ATOM 621 C ASP A 39 0.884 8.830 5.948 1.00 0.00 C ATOM 622 O ASP A 39 1.529 9.742 6.465 1.00 0.00 O ATOM 623 CB ASP A 39 1.417 7.169 7.738 1.00 0.00 C ATOM 624 CG ASP A 39 1.992 5.806 8.070 1.00 0.00 C ATOM 625 OD1 ASP A 39 3.224 5.638 7.957 1.00 0.00 O ATOM 626 OD2 ASP A 39 1.210 4.906 8.442 1.00 0.00 O ATOM 0 H ASP A 39 3.268 6.941 6.072 1.00 0.00 H new ATOM 0 HA ASP A 39 0.393 6.750 5.894 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.081 7.943 8.122 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.460 7.289 8.245 1.00 0.00 H new ATOM 631 N ILE A 40 -0.134 9.039 5.120 1.00 0.00 N ATOM 632 CA ILE A 40 -0.566 10.383 4.758 1.00 0.00 C ATOM 633 C ILE A 40 -1.196 11.105 5.946 1.00 0.00 C ATOM 634 O ILE A 40 -1.313 12.330 5.947 1.00 0.00 O ATOM 635 CB ILE A 40 -1.578 10.352 3.595 1.00 0.00 C ATOM 636 CG1 ILE A 40 -2.736 9.407 3.921 1.00 0.00 C ATOM 637 CG2 ILE A 40 -0.891 9.931 2.304 1.00 0.00 C ATOM 638 CD1 ILE A 40 -3.930 9.577 3.006 1.00 0.00 C ATOM 0 H ILE A 40 -0.676 8.292 4.686 1.00 0.00 H new ATOM 0 HA ILE A 40 0.326 10.925 4.443 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.981 11.356 3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.383 8.378 3.858 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.051 9.573 4.951 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.619 9.914 1.493 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.099 10.640 2.065 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.462 8.936 2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.713 8.876 3.295 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.308 10.596 3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.630 9.382 1.976 1.00 0.00 H new ATOM 650 N SER A 41 -1.598 10.341 6.958 1.00 0.00 N ATOM 651 CA SER A 41 -2.213 10.913 8.150 1.00 0.00 C ATOM 652 C SER A 41 -1.253 11.870 8.851 1.00 0.00 C ATOM 653 O SER A 41 -1.678 12.783 9.559 1.00 0.00 O ATOM 654 CB SER A 41 -2.639 9.804 9.113 1.00 0.00 C ATOM 655 OG SER A 41 -2.907 10.323 10.404 1.00 0.00 O ATOM 0 H SER A 41 -1.509 9.325 6.976 1.00 0.00 H new ATOM 0 HA SER A 41 -3.095 11.473 7.840 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.528 9.305 8.727 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.853 9.052 9.176 1.00 0.00 H new ATOM 0 HG SER A 41 -2.136 10.163 10.988 1.00 0.00 H new ATOM 661 N GLN A 42 0.043 11.656 8.648 1.00 0.00 N ATOM 662 CA GLN A 42 1.064 12.499 9.258 1.00 0.00 C ATOM 663 C GLN A 42 0.874 13.958 8.860 1.00 0.00 C ATOM 664 O GLN A 42 0.558 14.805 9.695 1.00 0.00 O ATOM 665 CB GLN A 42 2.457 12.026 8.841 1.00 0.00 C ATOM 666 CG GLN A 42 3.586 12.747 9.559 1.00 0.00 C ATOM 667 CD GLN A 42 4.875 12.754 8.760 1.00 0.00 C ATOM 668 OE1 GLN A 42 5.138 13.679 7.992 1.00 0.00 O ATOM 669 NE2 GLN A 42 5.686 11.717 8.936 1.00 0.00 N ATOM 0 H GLN A 42 0.411 10.905 8.065 1.00 0.00 H new ATOM 0 HA GLN A 42 0.966 12.420 10.341 1.00 0.00 H new ATOM 0 HB2 GLN A 42 2.541 10.956 9.033 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.573 12.167 7.766 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.284 13.774 9.763 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.763 12.269 10.522 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.428 10.972 9.583 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.567 11.666 8.424 1.00 0.00 H new ATOM 678 N ASP A 43 1.068 14.242 7.577 1.00 0.00 N ATOM 679 CA ASP A 43 0.917 15.598 7.063 1.00 0.00 C ATOM 680 C ASP A 43 -0.210 15.668 6.037 1.00 0.00 C ATOM 681 O ASP A 43 -0.407 14.741 5.252 1.00 0.00 O ATOM 682 CB ASP A 43 2.229 16.076 6.434 1.00 0.00 C ATOM 683 CG ASP A 43 2.636 17.452 6.923 1.00 0.00 C ATOM 684 OD1 ASP A 43 1.761 18.185 7.431 1.00 0.00 O ATOM 685 OD2 ASP A 43 3.830 17.797 6.799 1.00 0.00 O ATOM 0 H ASP A 43 1.330 13.551 6.874 1.00 0.00 H new ATOM 0 HA ASP A 43 0.664 16.252 7.898 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.020 15.363 6.664 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.123 16.095 5.349 1.00 0.00 H new ATOM 690 N ASN A 44 -0.946 16.774 6.051 1.00 0.00 N ATOM 691 CA ASN A 44 -2.054 16.966 5.122 1.00 0.00 C ATOM 692 C ASN A 44 -1.559 17.013 3.679 1.00 0.00 C ATOM 693 O ASN A 44 -2.307 16.717 2.747 1.00 0.00 O ATOM 694 CB ASN A 44 -2.808 18.255 5.457 1.00 0.00 C ATOM 695 CG ASN A 44 -4.309 18.103 5.303 1.00 0.00 C ATOM 696 OD1 ASN A 44 -4.981 17.547 6.171 1.00 0.00 O ATOM 697 ND2 ASN A 44 -4.843 18.599 4.193 1.00 0.00 N ATOM 0 H ASN A 44 -0.796 17.551 6.695 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.731 16.118 5.225 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.579 18.551 6.481 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.458 19.057 4.807 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.848 18.527 4.034 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.248 19.052 3.499 1.00 0.00 H new ATOM 704 N ALA A 45 -0.296 17.387 3.501 1.00 0.00 N ATOM 705 CA ALA A 45 0.295 17.473 2.170 1.00 0.00 C ATOM 706 C ALA A 45 0.329 16.107 1.495 1.00 0.00 C ATOM 707 O ALA A 45 0.187 16.003 0.277 1.00 0.00 O ATOM 708 CB ALA A 45 1.696 18.059 2.251 1.00 0.00 C ATOM 0 H ALA A 45 0.338 17.635 4.261 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.328 18.132 1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.124 18.117 1.250 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.648 19.058 2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.321 17.422 2.877 1.00 0.00 H new ATOM 714 N LEU A 46 0.513 15.061 2.293 1.00 0.00 N ATOM 715 CA LEU A 46 0.562 13.703 1.767 1.00 0.00 C ATOM 716 C LEU A 46 -0.798 13.292 1.214 1.00 0.00 C ATOM 717 O LEU A 46 -0.885 12.514 0.264 1.00 0.00 O ATOM 718 CB LEU A 46 1.001 12.726 2.859 1.00 0.00 C ATOM 719 CG LEU A 46 2.468 12.844 3.281 1.00 0.00 C ATOM 720 CD1 LEU A 46 2.597 13.696 4.534 1.00 0.00 C ATOM 721 CD2 LEU A 46 3.071 11.465 3.508 1.00 0.00 C ATOM 0 H LEU A 46 0.630 15.128 3.304 1.00 0.00 H new ATOM 0 HA LEU A 46 1.290 13.676 0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.373 12.879 3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.819 11.709 2.510 1.00 0.00 H new ATOM 0 HG LEU A 46 3.018 13.332 2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.647 13.768 4.818 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.205 14.694 4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.032 13.237 5.346 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.114 11.569 3.807 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.517 10.951 4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.014 10.887 2.586 1.00 0.00 H new ATOM 733 N ARG A 47 -1.859 13.825 1.813 1.00 0.00 N ATOM 734 CA ARG A 47 -3.216 13.518 1.378 1.00 0.00 C ATOM 735 C ARG A 47 -3.500 14.136 0.013 1.00 0.00 C ATOM 736 O ARG A 47 -4.041 13.478 -0.877 1.00 0.00 O ATOM 737 CB ARG A 47 -4.231 14.026 2.405 1.00 0.00 C ATOM 738 CG ARG A 47 -4.713 12.952 3.366 1.00 0.00 C ATOM 739 CD ARG A 47 -5.474 13.552 4.537 1.00 0.00 C ATOM 740 NE ARG A 47 -6.119 12.528 5.354 1.00 0.00 N ATOM 741 CZ ARG A 47 -6.708 12.774 6.522 1.00 0.00 C ATOM 742 NH1 ARG A 47 -6.735 14.007 7.013 1.00 0.00 N ATOM 743 NH2 ARG A 47 -7.272 11.784 7.201 1.00 0.00 N ATOM 0 H ARG A 47 -1.804 14.471 2.600 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.309 12.435 1.293 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.782 14.838 2.977 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.090 14.443 1.879 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.355 12.249 2.835 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.859 12.385 3.738 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.789 14.131 5.156 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.228 14.245 4.163 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.118 11.568 5.009 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.303 14.772 6.495 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.188 14.190 7.909 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.254 10.835 6.828 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.723 11.972 8.096 1.00 0.00 H new ATOM 757 N ASP A 48 -3.127 15.403 -0.148 1.00 0.00 N ATOM 758 CA ASP A 48 -3.341 16.104 -1.410 1.00 0.00 C ATOM 759 C ASP A 48 -2.223 15.819 -2.403 1.00 0.00 C ATOM 760 O ASP A 48 -2.228 16.320 -3.528 1.00 0.00 O ATOM 761 CB ASP A 48 -3.470 17.609 -1.175 1.00 0.00 C ATOM 762 CG ASP A 48 -4.554 18.238 -2.028 1.00 0.00 C ATOM 763 OD1 ASP A 48 -4.708 17.820 -3.195 1.00 0.00 O ATOM 764 OD2 ASP A 48 -5.250 19.148 -1.530 1.00 0.00 O ATOM 0 H ASP A 48 -2.677 15.963 0.576 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.272 15.733 -1.838 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.688 17.792 -0.123 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.516 18.091 -1.391 1.00 0.00 H new ATOM 769 N GLU A 49 -1.278 15.004 -1.978 1.00 0.00 N ATOM 770 CA GLU A 49 -0.148 14.624 -2.817 1.00 0.00 C ATOM 771 C GLU A 49 -0.374 13.242 -3.421 1.00 0.00 C ATOM 772 O GLU A 49 0.121 12.937 -4.506 1.00 0.00 O ATOM 773 CB GLU A 49 1.148 14.636 -2.003 1.00 0.00 C ATOM 774 CG GLU A 49 2.375 14.232 -2.805 1.00 0.00 C ATOM 775 CD GLU A 49 3.590 15.078 -2.477 1.00 0.00 C ATOM 776 OE1 GLU A 49 3.899 15.233 -1.277 1.00 0.00 O ATOM 777 OE2 GLU A 49 4.232 15.586 -3.421 1.00 0.00 O ATOM 0 H GLU A 49 -1.267 14.586 -1.048 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.061 15.349 -3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.303 15.636 -1.597 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.040 13.960 -1.154 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.603 13.184 -2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.154 14.318 -3.869 1.00 0.00 H new ATOM 784 N MET A 50 -1.127 12.411 -2.707 1.00 0.00 N ATOM 785 CA MET A 50 -1.426 11.060 -3.164 1.00 0.00 C ATOM 786 C MET A 50 -2.658 11.052 -4.063 1.00 0.00 C ATOM 787 O MET A 50 -2.754 10.256 -4.996 1.00 0.00 O ATOM 788 CB MET A 50 -1.649 10.135 -1.965 1.00 0.00 C ATOM 789 CG MET A 50 -1.402 8.667 -2.272 1.00 0.00 C ATOM 790 SD MET A 50 -2.869 7.834 -2.909 1.00 0.00 S ATOM 791 CE MET A 50 -3.908 7.818 -1.451 1.00 0.00 C ATOM 0 H MET A 50 -1.542 12.651 -1.807 1.00 0.00 H new ATOM 0 HA MET A 50 -0.575 10.699 -3.741 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.991 10.443 -1.152 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.672 10.256 -1.610 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.596 8.583 -3.001 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.067 8.162 -1.366 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.793 7.211 -1.642 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.353 7.396 -0.613 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.211 8.837 -1.209 1.00 0.00 H new ATOM 801 N ARG A 51 -3.600 11.945 -3.773 1.00 0.00 N ATOM 802 CA ARG A 51 -4.828 12.042 -4.554 1.00 0.00 C ATOM 803 C ARG A 51 -4.523 12.362 -6.015 1.00 0.00 C ATOM 804 O ARG A 51 -5.269 11.974 -6.914 1.00 0.00 O ATOM 805 CB ARG A 51 -5.747 13.115 -3.965 1.00 0.00 C ATOM 806 CG ARG A 51 -6.823 12.557 -3.047 1.00 0.00 C ATOM 807 CD ARG A 51 -6.220 11.826 -1.859 1.00 0.00 C ATOM 808 NE ARG A 51 -7.084 10.749 -1.383 1.00 0.00 N ATOM 809 CZ ARG A 51 -6.985 10.198 -0.175 1.00 0.00 C ATOM 810 NH1 ARG A 51 -6.062 10.618 0.681 1.00 0.00 N ATOM 811 NH2 ARG A 51 -7.813 9.224 0.178 1.00 0.00 N ATOM 0 H ARG A 51 -3.536 12.611 -3.003 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.333 11.077 -4.512 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.144 13.833 -3.410 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.223 13.661 -4.779 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.456 13.370 -2.692 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.463 11.876 -3.608 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.250 11.415 -2.140 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.044 12.534 -1.049 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.806 10.398 -2.013 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.423 11.367 0.415 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.992 10.192 1.605 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.525 8.898 -0.476 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.738 8.801 1.103 1.00 0.00 H new ATOM 825 N ALA A 52 -3.424 13.075 -6.245 1.00 0.00 N ATOM 826 CA ALA A 52 -3.025 13.448 -7.597 1.00 0.00 C ATOM 827 C ALA A 52 -2.091 12.406 -8.205 1.00 0.00 C ATOM 828 O ALA A 52 -2.336 11.904 -9.302 1.00 0.00 O ATOM 829 CB ALA A 52 -2.359 14.815 -7.591 1.00 0.00 C ATOM 0 H ALA A 52 -2.795 13.405 -5.513 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.923 13.494 -8.213 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.066 15.081 -8.607 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.058 15.559 -7.208 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.475 14.786 -6.954 1.00 0.00 H new ATOM 835 N LEU A 53 -1.020 12.087 -7.486 1.00 0.00 N ATOM 836 CA LEU A 53 -0.046 11.106 -7.955 1.00 0.00 C ATOM 837 C LEU A 53 -0.712 9.761 -8.233 1.00 0.00 C ATOM 838 O LEU A 53 -0.243 8.987 -9.067 1.00 0.00 O ATOM 839 CB LEU A 53 1.069 10.932 -6.923 1.00 0.00 C ATOM 840 CG LEU A 53 1.948 12.164 -6.703 1.00 0.00 C ATOM 841 CD1 LEU A 53 2.681 12.067 -5.375 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.935 12.324 -7.849 1.00 0.00 C ATOM 0 H LEU A 53 -0.804 12.493 -6.576 1.00 0.00 H new ATOM 0 HA LEU A 53 0.383 11.476 -8.887 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.620 10.650 -5.970 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.704 10.103 -7.234 1.00 0.00 H new ATOM 0 HG LEU A 53 1.307 13.045 -6.676 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.301 12.953 -5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.956 12.001 -4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.312 11.178 -5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.553 13.205 -7.677 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.571 11.441 -7.907 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.389 12.441 -8.785 1.00 0.00 H new ATOM 854 N ALA A 54 -1.805 9.488 -7.527 1.00 0.00 N ATOM 855 CA ALA A 54 -2.531 8.235 -7.698 1.00 0.00 C ATOM 856 C ALA A 54 -3.502 8.302 -8.875 1.00 0.00 C ATOM 857 O ALA A 54 -4.078 7.288 -9.270 1.00 0.00 O ATOM 858 CB ALA A 54 -3.277 7.884 -6.419 1.00 0.00 C ATOM 0 H ALA A 54 -2.207 10.117 -6.832 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.802 7.454 -7.915 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.816 6.947 -6.558 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.565 7.776 -5.601 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.985 8.678 -6.181 1.00 0.00 H new ATOM 864 N GLY A 55 -3.684 9.496 -9.434 1.00 0.00 N ATOM 865 CA GLY A 55 -4.591 9.655 -10.556 1.00 0.00 C ATOM 866 C GLY A 55 -6.005 9.233 -10.213 1.00 0.00 C ATOM 867 O GLY A 55 -6.650 8.512 -10.975 1.00 0.00 O ATOM 0 H GLY A 55 -3.221 10.353 -9.131 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.592 10.697 -10.875 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.231 9.064 -11.398 1.00 0.00 H new ATOM 871 N ASN A 56 -6.486 9.682 -9.058 1.00 0.00 N ATOM 872 CA ASN A 56 -7.830 9.353 -8.601 1.00 0.00 C ATOM 873 C ASN A 56 -8.067 9.918 -7.220 1.00 0.00 C ATOM 874 O ASN A 56 -7.414 9.530 -6.251 1.00 0.00 O ATOM 875 CB ASN A 56 -8.061 7.837 -8.598 1.00 0.00 C ATOM 876 CG ASN A 56 -6.817 7.055 -8.219 1.00 0.00 C ATOM 877 OD1 ASN A 56 -6.319 6.244 -9.000 1.00 0.00 O ATOM 878 ND2 ASN A 56 -6.310 7.294 -7.016 1.00 0.00 N ATOM 0 H ASN A 56 -5.961 10.278 -8.419 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.540 9.802 -9.296 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.863 7.597 -7.899 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.395 7.523 -9.587 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.475 6.797 -6.707 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.755 7.975 -6.401 1.00 0.00 H new ATOM 885 N PRO A 57 -9.005 10.863 -7.119 1.00 0.00 N ATOM 886 CA PRO A 57 -9.338 11.514 -5.872 1.00 0.00 C ATOM 887 C PRO A 57 -10.380 10.744 -5.065 1.00 0.00 C ATOM 888 O PRO A 57 -11.105 11.322 -4.255 1.00 0.00 O ATOM 889 CB PRO A 57 -9.891 12.868 -6.329 1.00 0.00 C ATOM 890 CG PRO A 57 -9.963 12.830 -7.823 1.00 0.00 C ATOM 891 CD PRO A 57 -9.812 11.398 -8.218 1.00 0.00 C ATOM 0 HA PRO A 57 -8.479 11.589 -5.205 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -10.877 13.046 -5.900 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -9.246 13.681 -5.995 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -10.913 13.232 -8.176 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.175 13.440 -8.265 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.775 10.894 -8.300 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -9.313 11.291 -9.181 1.00 0.00 H new ATOM 899 N LYS A 58 -10.440 9.438 -5.286 1.00 0.00 N ATOM 900 CA LYS A 58 -11.381 8.579 -4.577 1.00 0.00 C ATOM 901 C LYS A 58 -10.670 7.360 -3.987 1.00 0.00 C ATOM 902 O LYS A 58 -11.306 6.484 -3.402 1.00 0.00 O ATOM 903 CB LYS A 58 -12.497 8.125 -5.519 1.00 0.00 C ATOM 904 CG LYS A 58 -13.681 9.076 -5.562 1.00 0.00 C ATOM 905 CD LYS A 58 -14.728 8.617 -6.564 1.00 0.00 C ATOM 906 CE LYS A 58 -15.758 9.703 -6.831 1.00 0.00 C ATOM 907 NZ LYS A 58 -16.706 9.861 -5.694 1.00 0.00 N ATOM 0 H LYS A 58 -9.845 8.947 -5.954 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.815 9.155 -3.760 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.091 8.018 -6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.844 7.139 -5.209 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.130 9.145 -4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.337 10.076 -5.826 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.241 8.338 -7.499 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.228 7.725 -6.187 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.249 10.649 -7.013 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.314 9.461 -7.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.392 10.611 -5.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.211 8.966 -5.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.178 10.117 -4.835 1.00 0.00 H new ATOM 921 N ALA A 59 -9.347 7.310 -4.144 1.00 0.00 N ATOM 922 CA ALA A 59 -8.555 6.201 -3.628 1.00 0.00 C ATOM 923 C ALA A 59 -8.719 6.060 -2.117 1.00 0.00 C ATOM 924 O ALA A 59 -9.646 6.615 -1.528 1.00 0.00 O ATOM 925 CB ALA A 59 -7.089 6.392 -3.993 1.00 0.00 C ATOM 0 H ALA A 59 -8.804 8.027 -4.625 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.916 5.281 -4.087 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.505 5.558 -3.603 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.986 6.431 -5.077 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.725 7.324 -3.560 1.00 0.00 H new ATOM 931 N THR A 60 -7.811 5.312 -1.498 1.00 0.00 N ATOM 932 CA THR A 60 -7.848 5.092 -0.058 1.00 0.00 C ATOM 933 C THR A 60 -6.432 5.070 0.514 1.00 0.00 C ATOM 934 O THR A 60 -5.460 4.943 -0.229 1.00 0.00 O ATOM 935 CB THR A 60 -8.564 3.776 0.252 1.00 0.00 C ATOM 936 OG1 THR A 60 -7.960 2.701 -0.444 1.00 0.00 O ATOM 937 CG2 THR A 60 -10.032 3.794 -0.116 1.00 0.00 C ATOM 0 H THR A 60 -7.038 4.847 -1.974 1.00 0.00 H new ATOM 0 HA THR A 60 -8.396 5.911 0.407 1.00 0.00 H new ATOM 0 HB THR A 60 -8.477 3.646 1.331 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.431 1.868 -0.232 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.480 2.831 0.129 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.537 4.582 0.442 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.137 3.981 -1.185 1.00 0.00 H new ATOM 945 N PRO A 61 -6.290 5.192 1.846 1.00 0.00 N ATOM 946 CA PRO A 61 -4.979 5.184 2.500 1.00 0.00 C ATOM 947 C PRO A 61 -4.067 4.067 1.987 1.00 0.00 C ATOM 948 O PRO A 61 -2.914 4.318 1.638 1.00 0.00 O ATOM 949 CB PRO A 61 -5.323 4.976 3.973 1.00 0.00 C ATOM 950 CG PRO A 61 -6.678 5.577 4.127 1.00 0.00 C ATOM 951 CD PRO A 61 -7.390 5.349 2.820 1.00 0.00 C ATOM 0 HA PRO A 61 -4.421 6.100 2.305 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.326 3.918 4.235 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.596 5.463 4.623 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.219 5.112 4.951 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -6.608 6.641 4.352 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.022 4.461 2.857 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.035 6.189 2.563 1.00 0.00 H new ATOM 959 N PRO A 62 -4.563 2.814 1.929 1.00 0.00 N ATOM 960 CA PRO A 62 -3.763 1.680 1.450 1.00 0.00 C ATOM 961 C PRO A 62 -3.451 1.780 -0.040 1.00 0.00 C ATOM 962 O PRO A 62 -4.212 1.296 -0.878 1.00 0.00 O ATOM 963 CB PRO A 62 -4.653 0.467 1.730 1.00 0.00 C ATOM 964 CG PRO A 62 -6.038 1.009 1.760 1.00 0.00 C ATOM 965 CD PRO A 62 -5.926 2.400 2.320 1.00 0.00 C ATOM 0 HA PRO A 62 -2.792 1.632 1.942 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.542 -0.292 0.955 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.392 -0.004 2.678 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.473 1.024 0.761 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.686 0.390 2.380 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.683 3.064 1.903 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.055 2.410 3.402 1.00 0.00 H new ATOM 973 N GLN A 63 -2.325 2.410 -0.363 1.00 0.00 N ATOM 974 CA GLN A 63 -1.908 2.574 -1.752 1.00 0.00 C ATOM 975 C GLN A 63 -0.424 2.264 -1.912 1.00 0.00 C ATOM 976 O GLN A 63 0.407 2.746 -1.142 1.00 0.00 O ATOM 977 CB GLN A 63 -2.197 3.998 -2.230 1.00 0.00 C ATOM 978 CG GLN A 63 -3.671 4.369 -2.188 1.00 0.00 C ATOM 979 CD GLN A 63 -4.292 4.451 -3.568 1.00 0.00 C ATOM 980 OE1 GLN A 63 -4.298 5.509 -4.197 1.00 0.00 O ATOM 981 NE2 GLN A 63 -4.822 3.331 -4.045 1.00 0.00 N ATOM 0 H GLN A 63 -1.684 2.816 0.319 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.477 1.872 -2.362 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.637 4.700 -1.612 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.832 4.110 -3.251 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.211 3.631 -1.594 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.786 5.329 -1.685 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.794 2.476 -3.489 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.257 3.325 -4.968 1.00 0.00 H new ATOM 990 N ILE A 64 -0.097 1.458 -2.916 1.00 0.00 N ATOM 991 CA ILE A 64 1.288 1.085 -3.175 1.00 0.00 C ATOM 992 C ILE A 64 1.962 2.084 -4.109 1.00 0.00 C ATOM 993 O ILE A 64 1.459 2.371 -5.196 1.00 0.00 O ATOM 994 CB ILE A 64 1.388 -0.324 -3.790 1.00 0.00 C ATOM 995 CG1 ILE A 64 0.569 -1.322 -2.970 1.00 0.00 C ATOM 996 CG2 ILE A 64 2.843 -0.764 -3.874 1.00 0.00 C ATOM 997 CD1 ILE A 64 -0.820 -1.560 -3.520 1.00 0.00 C ATOM 0 H ILE A 64 -0.772 1.051 -3.563 1.00 0.00 H new ATOM 0 HA ILE A 64 1.800 1.089 -2.212 1.00 0.00 H new ATOM 0 HB ILE A 64 0.980 -0.293 -4.800 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.103 -2.272 -2.930 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.488 -0.958 -1.946 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.897 -1.761 -4.311 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.399 -0.064 -4.498 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.276 -0.782 -2.874 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.343 -2.278 -2.889 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.372 -0.620 -3.534 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.747 -1.954 -4.534 1.00 0.00 H new ATOM 1009 N VAL A 65 3.103 2.609 -3.679 1.00 0.00 N ATOM 1010 CA VAL A 65 3.851 3.574 -4.474 1.00 0.00 C ATOM 1011 C VAL A 65 5.327 3.196 -4.535 1.00 0.00 C ATOM 1012 O VAL A 65 5.910 2.763 -3.540 1.00 0.00 O ATOM 1013 CB VAL A 65 3.708 4.999 -3.902 1.00 0.00 C ATOM 1014 CG1 VAL A 65 4.529 5.999 -4.707 1.00 0.00 C ATOM 1015 CG2 VAL A 65 2.243 5.410 -3.864 1.00 0.00 C ATOM 0 H VAL A 65 3.531 2.382 -2.782 1.00 0.00 H new ATOM 0 HA VAL A 65 3.435 3.558 -5.481 1.00 0.00 H new ATOM 0 HB VAL A 65 4.094 4.996 -2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.409 6.995 -4.281 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.581 5.715 -4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.185 6.003 -5.741 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.158 6.418 -3.458 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.833 5.390 -4.874 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.687 4.717 -3.233 1.00 0.00 H new ATOM 1025 N ASN A 66 5.925 3.359 -5.709 1.00 0.00 N ATOM 1026 CA ASN A 66 7.333 3.032 -5.902 1.00 0.00 C ATOM 1027 C ASN A 66 8.198 4.287 -5.843 1.00 0.00 C ATOM 1028 O ASN A 66 9.014 4.535 -6.731 1.00 0.00 O ATOM 1029 CB ASN A 66 7.532 2.317 -7.241 1.00 0.00 C ATOM 1030 CG ASN A 66 8.497 1.153 -7.137 1.00 0.00 C ATOM 1031 OD1 ASN A 66 9.458 1.058 -7.902 1.00 0.00 O ATOM 1032 ND2 ASN A 66 8.247 0.259 -6.187 1.00 0.00 N ATOM 0 H ASN A 66 5.457 3.716 -6.542 1.00 0.00 H new ATOM 0 HA ASN A 66 7.641 2.367 -5.095 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.569 1.956 -7.604 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.904 3.029 -7.978 1.00 0.00 H new ATOM 0 HD21 ASN A 66 8.863 -0.546 -6.069 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.439 0.377 -5.575 1.00 0.00 H new ATOM 1039 N GLY A 67 8.015 5.075 -4.789 1.00 0.00 N ATOM 1040 CA GLY A 67 8.786 6.293 -4.631 1.00 0.00 C ATOM 1041 C GLY A 67 7.956 7.540 -4.863 1.00 0.00 C ATOM 1042 O GLY A 67 7.681 8.293 -3.930 1.00 0.00 O ATOM 0 H GLY A 67 7.346 4.891 -4.041 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.209 6.324 -3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.623 6.282 -5.329 1.00 0.00 H new ATOM 1046 N ASP A 68 7.556 7.758 -6.111 1.00 0.00 N ATOM 1047 CA ASP A 68 6.754 8.922 -6.463 1.00 0.00 C ATOM 1048 C ASP A 68 5.839 8.618 -7.645 1.00 0.00 C ATOM 1049 O ASP A 68 5.660 9.449 -8.535 1.00 0.00 O ATOM 1050 CB ASP A 68 7.659 10.110 -6.795 1.00 0.00 C ATOM 1051 CG ASP A 68 8.576 9.828 -7.969 1.00 0.00 C ATOM 1052 OD1 ASP A 68 8.109 9.925 -9.124 1.00 0.00 O ATOM 1053 OD2 ASP A 68 9.760 9.509 -7.734 1.00 0.00 O ATOM 0 H ASP A 68 7.774 7.143 -6.895 1.00 0.00 H new ATOM 0 HA ASP A 68 6.133 9.176 -5.604 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.043 10.981 -7.020 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.259 10.361 -5.921 1.00 0.00 H new ATOM 1058 N GLN A 69 5.259 7.421 -7.647 1.00 0.00 N ATOM 1059 CA GLN A 69 4.362 7.010 -8.717 1.00 0.00 C ATOM 1060 C GLN A 69 3.323 6.028 -8.195 1.00 0.00 C ATOM 1061 O GLN A 69 3.483 5.453 -7.118 1.00 0.00 O ATOM 1062 CB GLN A 69 5.155 6.378 -9.863 1.00 0.00 C ATOM 1063 CG GLN A 69 5.081 7.166 -11.161 1.00 0.00 C ATOM 1064 CD GLN A 69 5.256 6.290 -12.386 1.00 0.00 C ATOM 1065 OE1 GLN A 69 6.327 6.257 -12.991 1.00 0.00 O ATOM 1066 NE2 GLN A 69 4.201 5.575 -12.757 1.00 0.00 N ATOM 0 H GLN A 69 5.396 6.720 -6.919 1.00 0.00 H new ATOM 0 HA GLN A 69 3.847 7.894 -9.092 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.199 6.285 -9.563 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.782 5.369 -10.039 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.119 7.676 -11.218 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.851 7.938 -11.158 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.333 5.634 -12.225 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.259 4.967 -13.574 1.00 0.00 H new ATOM 1075 N TYR A 70 2.260 5.835 -8.962 1.00 0.00 N ATOM 1076 CA TYR A 70 1.199 4.920 -8.569 1.00 0.00 C ATOM 1077 C TYR A 70 1.597 3.479 -8.863 1.00 0.00 C ATOM 1078 O TYR A 70 1.590 3.043 -10.014 1.00 0.00 O ATOM 1079 CB TYR A 70 -0.098 5.266 -9.300 1.00 0.00 C ATOM 1080 CG TYR A 70 -1.346 4.798 -8.586 1.00 0.00 C ATOM 1081 CD1 TYR A 70 -1.477 4.935 -7.209 1.00 0.00 C ATOM 1082 CD2 TYR A 70 -2.394 4.219 -9.289 1.00 0.00 C ATOM 1083 CE1 TYR A 70 -2.616 4.508 -6.555 1.00 0.00 C ATOM 1084 CE2 TYR A 70 -3.537 3.790 -8.642 1.00 0.00 C ATOM 1085 CZ TYR A 70 -3.643 3.936 -7.276 1.00 0.00 C ATOM 1086 OH TYR A 70 -4.780 3.510 -6.628 1.00 0.00 O ATOM 0 H TYR A 70 2.110 6.299 -9.858 1.00 0.00 H new ATOM 0 HA TYR A 70 1.037 5.023 -7.496 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.151 6.346 -9.434 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.072 4.822 -10.295 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.675 5.383 -6.641 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -2.314 4.102 -10.360 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.702 4.621 -5.484 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.343 3.342 -9.204 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.406 3.132 -7.280 1.00 0.00 H new ATOM 1096 N CYS A 71 1.953 2.748 -7.813 1.00 0.00 N ATOM 1097 CA CYS A 71 2.366 1.356 -7.955 1.00 0.00 C ATOM 1098 C CYS A 71 1.159 0.434 -8.105 1.00 0.00 C ATOM 1099 O CYS A 71 1.110 -0.389 -9.019 1.00 0.00 O ATOM 1100 CB CYS A 71 3.202 0.927 -6.748 1.00 0.00 C ATOM 1101 SG CYS A 71 4.431 -0.347 -7.117 1.00 0.00 S ATOM 0 H CYS A 71 1.964 3.096 -6.854 1.00 0.00 H new ATOM 0 HA CYS A 71 2.971 1.276 -8.858 1.00 0.00 H new ATOM 0 HB2 CYS A 71 3.711 1.801 -6.343 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.534 0.558 -5.970 1.00 0.00 H new ATOM 0 HG CYS A 71 5.089 -0.642 -6.035 1.00 0.00 H new ATOM 1107 N GLY A 72 0.186 0.572 -7.208 1.00 0.00 N ATOM 1108 CA GLY A 72 -0.998 -0.265 -7.277 1.00 0.00 C ATOM 1109 C GLY A 72 -2.046 0.107 -6.247 1.00 0.00 C ATOM 1110 O GLY A 72 -2.142 1.263 -5.836 1.00 0.00 O ATOM 0 H GLY A 72 0.196 1.243 -6.440 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.433 -0.189 -8.274 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.709 -1.306 -7.134 1.00 0.00 H new ATOM 1114 N ASP A 73 -2.834 -0.880 -5.833 1.00 0.00 N ATOM 1115 CA ASP A 73 -3.886 -0.661 -4.848 1.00 0.00 C ATOM 1116 C ASP A 73 -4.089 -1.904 -3.986 1.00 0.00 C ATOM 1117 O ASP A 73 -3.254 -2.809 -3.979 1.00 0.00 O ATOM 1118 CB ASP A 73 -5.195 -0.290 -5.548 1.00 0.00 C ATOM 1119 CG ASP A 73 -5.961 0.791 -4.810 1.00 0.00 C ATOM 1120 OD1 ASP A 73 -5.829 0.871 -3.571 1.00 0.00 O ATOM 1121 OD2 ASP A 73 -6.693 1.557 -5.472 1.00 0.00 O ATOM 0 H ASP A 73 -2.763 -1.842 -6.166 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.582 0.162 -4.201 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.978 0.050 -6.561 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.821 -1.178 -5.637 1.00 0.00 H new ATOM 1126 N TYR A 74 -5.202 -1.942 -3.260 1.00 0.00 N ATOM 1127 CA TYR A 74 -5.514 -3.074 -2.395 1.00 0.00 C ATOM 1128 C TYR A 74 -5.892 -4.302 -3.217 1.00 0.00 C ATOM 1129 O TYR A 74 -5.402 -5.403 -2.968 1.00 0.00 O ATOM 1130 CB TYR A 74 -6.656 -2.711 -1.443 1.00 0.00 C ATOM 1131 CG TYR A 74 -7.044 -3.831 -0.504 1.00 0.00 C ATOM 1132 CD1 TYR A 74 -7.965 -4.797 -0.888 1.00 0.00 C ATOM 1133 CD2 TYR A 74 -6.490 -3.921 0.767 1.00 0.00 C ATOM 1134 CE1 TYR A 74 -8.323 -5.822 -0.032 1.00 0.00 C ATOM 1135 CE2 TYR A 74 -6.842 -4.943 1.628 1.00 0.00 C ATOM 1136 CZ TYR A 74 -7.759 -5.890 1.224 1.00 0.00 C ATOM 1137 OH TYR A 74 -8.113 -6.909 2.079 1.00 0.00 O ATOM 0 H TYR A 74 -5.903 -1.201 -3.254 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.624 -3.312 -1.813 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.364 -1.841 -0.855 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.528 -2.422 -2.029 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.409 -4.747 -1.871 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.772 -3.180 1.087 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.041 -6.566 -0.346 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.401 -5.000 2.612 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.351 -7.705 1.559 1.00 0.00 H new ATOM 1147 N GLU A 75 -6.769 -4.106 -4.197 1.00 0.00 N ATOM 1148 CA GLU A 75 -7.219 -5.190 -5.054 1.00 0.00 C ATOM 1149 C GLU A 75 -6.043 -5.873 -5.749 1.00 0.00 C ATOM 1150 O GLU A 75 -5.942 -7.099 -5.755 1.00 0.00 O ATOM 1151 CB GLU A 75 -8.197 -4.642 -6.090 1.00 0.00 C ATOM 1152 CG GLU A 75 -9.423 -5.513 -6.285 1.00 0.00 C ATOM 1153 CD GLU A 75 -9.482 -6.143 -7.663 1.00 0.00 C ATOM 1154 OE1 GLU A 75 -8.926 -7.249 -7.835 1.00 0.00 O ATOM 1155 OE2 GLU A 75 -10.084 -5.532 -8.571 1.00 0.00 O ATOM 0 H GLU A 75 -7.182 -3.200 -4.416 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.717 -5.937 -4.436 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.514 -3.644 -5.786 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.681 -4.536 -7.044 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.428 -6.299 -5.530 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.319 -4.913 -6.126 1.00 0.00 H new ATOM 1162 N LEU A 76 -5.160 -5.072 -6.336 1.00 0.00 N ATOM 1163 CA LEU A 76 -3.994 -5.599 -7.037 1.00 0.00 C ATOM 1164 C LEU A 76 -3.137 -6.459 -6.113 1.00 0.00 C ATOM 1165 O LEU A 76 -3.029 -7.672 -6.298 1.00 0.00 O ATOM 1166 CB LEU A 76 -3.155 -4.452 -7.605 1.00 0.00 C ATOM 1167 CG LEU A 76 -3.881 -3.554 -8.610 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -4.437 -2.317 -7.919 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -2.946 -3.159 -9.744 1.00 0.00 C ATOM 0 H LEU A 76 -5.230 -4.054 -6.340 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.350 -6.225 -7.855 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.803 -3.835 -6.778 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.272 -4.872 -8.088 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.716 -4.114 -9.032 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.949 -1.691 -8.650 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.140 -2.619 -7.143 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.620 -1.754 -7.469 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.479 -2.521 -10.449 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.091 -2.618 -9.339 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.598 -4.055 -10.257 1.00 0.00 H new ATOM 1181 N PHE A 77 -2.527 -5.820 -5.119 1.00 0.00 N ATOM 1182 CA PHE A 77 -1.672 -6.519 -4.163 1.00 0.00 C ATOM 1183 C PHE A 77 -2.339 -7.796 -3.653 1.00 0.00 C ATOM 1184 O PHE A 77 -1.735 -8.869 -3.661 1.00 0.00 O ATOM 1185 CB PHE A 77 -1.336 -5.597 -2.988 1.00 0.00 C ATOM 1186 CG PHE A 77 -0.519 -6.258 -1.913 1.00 0.00 C ATOM 1187 CD1 PHE A 77 -1.125 -7.054 -0.955 1.00 0.00 C ATOM 1188 CD2 PHE A 77 0.855 -6.082 -1.861 1.00 0.00 C ATOM 1189 CE1 PHE A 77 -0.377 -7.663 0.034 1.00 0.00 C ATOM 1190 CE2 PHE A 77 1.608 -6.688 -0.874 1.00 0.00 C ATOM 1191 CZ PHE A 77 0.992 -7.480 0.075 1.00 0.00 C ATOM 0 H PHE A 77 -2.609 -4.817 -4.954 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.752 -6.800 -4.675 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.793 -4.730 -3.363 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.264 -5.228 -2.551 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.195 -7.200 -0.982 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.342 -5.464 -2.601 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.862 -8.282 0.775 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.678 -6.542 -0.845 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.579 -7.955 0.847 1.00 0.00 H new ATOM 1201 N VAL A 78 -3.586 -7.673 -3.210 1.00 0.00 N ATOM 1202 CA VAL A 78 -4.331 -8.816 -2.698 1.00 0.00 C ATOM 1203 C VAL A 78 -4.639 -9.816 -3.809 1.00 0.00 C ATOM 1204 O VAL A 78 -4.722 -11.020 -3.567 1.00 0.00 O ATOM 1205 CB VAL A 78 -5.650 -8.378 -2.033 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -6.355 -9.569 -1.401 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -5.391 -7.294 -0.998 1.00 0.00 C ATOM 0 H VAL A 78 -4.101 -6.793 -3.196 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.699 -9.294 -1.949 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.303 -7.967 -2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.284 -9.238 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.577 -10.310 -2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.710 -10.014 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.334 -6.997 -0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.718 -7.677 -0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.935 -6.430 -1.482 1.00 0.00 H new ATOM 1217 N GLU A 79 -4.808 -9.311 -5.027 1.00 0.00 N ATOM 1218 CA GLU A 79 -5.106 -10.166 -6.171 1.00 0.00 C ATOM 1219 C GLU A 79 -3.844 -10.840 -6.708 1.00 0.00 C ATOM 1220 O GLU A 79 -3.909 -11.632 -7.648 1.00 0.00 O ATOM 1221 CB GLU A 79 -5.774 -9.359 -7.285 1.00 0.00 C ATOM 1222 CG GLU A 79 -6.119 -10.191 -8.510 1.00 0.00 C ATOM 1223 CD GLU A 79 -7.534 -9.952 -9.000 1.00 0.00 C ATOM 1224 OE1 GLU A 79 -7.814 -8.836 -9.485 1.00 0.00 O ATOM 1225 OE2 GLU A 79 -8.362 -10.882 -8.897 1.00 0.00 O ATOM 0 H GLU A 79 -4.744 -8.317 -5.247 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.791 -10.942 -5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.685 -8.903 -6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.111 -8.546 -7.582 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.417 -9.959 -9.311 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.994 -11.248 -8.273 1.00 0.00 H new ATOM 1232 N ALA A 80 -2.697 -10.523 -6.116 1.00 0.00 N ATOM 1233 CA ALA A 80 -1.433 -11.105 -6.549 1.00 0.00 C ATOM 1234 C ALA A 80 -1.024 -12.266 -5.648 1.00 0.00 C ATOM 1235 O ALA A 80 -0.724 -13.359 -6.128 1.00 0.00 O ATOM 1236 CB ALA A 80 -0.350 -10.039 -6.577 1.00 0.00 C ATOM 0 H ALA A 80 -2.617 -9.868 -5.338 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.564 -11.499 -7.557 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.590 -10.484 -6.902 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.636 -9.248 -7.271 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.227 -9.619 -5.579 1.00 0.00 H new ATOM 1242 N VAL A 81 -1.020 -12.027 -4.339 1.00 0.00 N ATOM 1243 CA VAL A 81 -0.654 -13.062 -3.374 1.00 0.00 C ATOM 1244 C VAL A 81 -1.500 -14.316 -3.578 1.00 0.00 C ATOM 1245 O VAL A 81 -1.067 -15.430 -3.284 1.00 0.00 O ATOM 1246 CB VAL A 81 -0.835 -12.574 -1.922 1.00 0.00 C ATOM 1247 CG1 VAL A 81 -0.311 -13.611 -0.940 1.00 0.00 C ATOM 1248 CG2 VAL A 81 -0.142 -11.236 -1.709 1.00 0.00 C ATOM 0 H VAL A 81 -1.265 -11.129 -3.922 1.00 0.00 H new ATOM 0 HA VAL A 81 0.398 -13.293 -3.542 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.901 -12.436 -1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.447 -13.249 0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.859 -14.544 -1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.749 -13.784 -1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.284 -10.913 -0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.924 -11.342 -1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.569 -10.494 -2.384 1.00 0.00 H new ATOM 1258 N GLU A 82 -2.713 -14.115 -4.079 1.00 0.00 N ATOM 1259 CA GLU A 82 -3.645 -15.209 -4.326 1.00 0.00 C ATOM 1260 C GLU A 82 -3.059 -16.247 -5.281 1.00 0.00 C ATOM 1261 O GLU A 82 -3.102 -17.447 -5.011 1.00 0.00 O ATOM 1262 CB GLU A 82 -4.942 -14.655 -4.910 1.00 0.00 C ATOM 1263 CG GLU A 82 -4.717 -13.690 -6.064 1.00 0.00 C ATOM 1264 CD GLU A 82 -5.141 -14.271 -7.400 1.00 0.00 C ATOM 1265 OE1 GLU A 82 -6.035 -15.143 -7.412 1.00 0.00 O ATOM 1266 OE2 GLU A 82 -4.579 -13.853 -8.435 1.00 0.00 O ATOM 0 H GLU A 82 -3.077 -13.194 -4.324 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.842 -15.701 -3.374 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.561 -15.484 -5.254 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.499 -14.146 -4.123 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.273 -12.771 -5.878 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.662 -13.421 -6.107 1.00 0.00 H new ATOM 1273 N GLN A 83 -2.517 -15.778 -6.400 1.00 0.00 N ATOM 1274 CA GLN A 83 -1.929 -16.664 -7.397 1.00 0.00 C ATOM 1275 C GLN A 83 -0.411 -16.700 -7.268 1.00 0.00 C ATOM 1276 O GLN A 83 0.282 -17.262 -8.116 1.00 0.00 O ATOM 1277 CB GLN A 83 -2.319 -16.203 -8.803 1.00 0.00 C ATOM 1278 CG GLN A 83 -2.690 -17.342 -9.738 1.00 0.00 C ATOM 1279 CD GLN A 83 -1.576 -17.688 -10.706 1.00 0.00 C ATOM 1280 OE1 GLN A 83 -0.991 -18.769 -10.636 1.00 0.00 O ATOM 1281 NE2 GLN A 83 -1.278 -16.769 -11.617 1.00 0.00 N ATOM 0 H GLN A 83 -2.473 -14.787 -6.639 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.313 -17.670 -7.226 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.162 -15.516 -8.730 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.489 -15.645 -9.236 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.941 -18.224 -9.149 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -3.583 -17.069 -10.300 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -1.789 -15.887 -11.638 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.538 -16.945 -12.296 1.00 0.00 H new ATOM 1290 N ASN A 84 0.099 -16.080 -6.210 1.00 0.00 N ATOM 1291 CA ASN A 84 1.531 -16.019 -5.971 1.00 0.00 C ATOM 1292 C ASN A 84 2.176 -15.018 -6.919 1.00 0.00 C ATOM 1293 O ASN A 84 3.384 -15.056 -7.156 1.00 0.00 O ATOM 1294 CB ASN A 84 2.174 -17.400 -6.131 1.00 0.00 C ATOM 1295 CG ASN A 84 2.970 -17.813 -4.908 1.00 0.00 C ATOM 1296 OD1 ASN A 84 4.188 -17.645 -4.860 1.00 0.00 O ATOM 1297 ND2 ASN A 84 2.282 -18.356 -3.911 1.00 0.00 N ATOM 0 H ASN A 84 -0.465 -15.610 -5.501 1.00 0.00 H new ATOM 0 HA ASN A 84 1.694 -15.690 -4.945 1.00 0.00 H new ATOM 0 HB2 ASN A 84 1.397 -18.140 -6.322 1.00 0.00 H new ATOM 0 HB3 ASN A 84 2.829 -17.394 -7.002 1.00 0.00 H new ATOM 0 HD21 ASN A 84 2.763 -18.653 -3.062 1.00 0.00 H new ATOM 0 HD22 ASN A 84 1.273 -18.476 -3.994 1.00 0.00 H new ATOM 1304 N THR A 85 1.357 -14.118 -7.454 1.00 0.00 N ATOM 1305 CA THR A 85 1.837 -13.099 -8.371 1.00 0.00 C ATOM 1306 C THR A 85 2.424 -11.918 -7.606 1.00 0.00 C ATOM 1307 O THR A 85 3.151 -11.103 -8.174 1.00 0.00 O ATOM 1308 CB THR A 85 0.702 -12.623 -9.279 1.00 0.00 C ATOM 1309 OG1 THR A 85 -0.292 -13.624 -9.406 1.00 0.00 O ATOM 1310 CG2 THR A 85 1.165 -12.257 -10.673 1.00 0.00 C ATOM 0 H THR A 85 0.355 -14.077 -7.265 1.00 0.00 H new ATOM 0 HA THR A 85 2.622 -13.538 -8.987 1.00 0.00 H new ATOM 0 HB THR A 85 0.303 -11.729 -8.799 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.010 -13.300 -9.989 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.311 -11.928 -11.265 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.897 -11.452 -10.613 1.00 0.00 H new ATOM 0 HG23 THR A 85 1.620 -13.127 -11.145 1.00 0.00 H new ATOM 1318 N LEU A 86 2.096 -11.832 -6.313 1.00 0.00 N ATOM 1319 CA LEU A 86 2.579 -10.754 -5.449 1.00 0.00 C ATOM 1320 C LEU A 86 3.975 -10.275 -5.845 1.00 0.00 C ATOM 1321 O LEU A 86 4.222 -9.073 -5.932 1.00 0.00 O ATOM 1322 CB LEU A 86 2.586 -11.215 -3.994 1.00 0.00 C ATOM 1323 CG LEU A 86 3.026 -10.153 -2.989 1.00 0.00 C ATOM 1324 CD1 LEU A 86 1.971 -9.063 -2.870 1.00 0.00 C ATOM 1325 CD2 LEU A 86 3.307 -10.783 -1.632 1.00 0.00 C ATOM 0 H LEU A 86 1.492 -12.504 -5.840 1.00 0.00 H new ATOM 0 HA LEU A 86 1.897 -9.913 -5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.584 -11.553 -3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.247 -12.077 -3.904 1.00 0.00 H new ATOM 0 HG LEU A 86 3.949 -9.698 -3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.301 -8.314 -2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.824 -8.591 -3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.031 -9.501 -2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.619 -10.010 -0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.403 -11.267 -1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.100 -11.524 -1.732 1.00 0.00 H new ATOM 1337 N GLN A 87 4.886 -11.215 -6.090 1.00 0.00 N ATOM 1338 CA GLN A 87 6.248 -10.861 -6.480 1.00 0.00 C ATOM 1339 C GLN A 87 6.234 -9.947 -7.698 1.00 0.00 C ATOM 1340 O GLN A 87 6.817 -8.864 -7.680 1.00 0.00 O ATOM 1341 CB GLN A 87 7.074 -12.113 -6.782 1.00 0.00 C ATOM 1342 CG GLN A 87 8.446 -11.803 -7.362 1.00 0.00 C ATOM 1343 CD GLN A 87 9.376 -13.000 -7.336 1.00 0.00 C ATOM 1344 OE1 GLN A 87 10.496 -12.920 -6.830 1.00 0.00 O ATOM 1345 NE2 GLN A 87 8.916 -14.119 -7.883 1.00 0.00 N ATOM 0 H GLN A 87 4.708 -12.217 -6.026 1.00 0.00 H new ATOM 0 HA GLN A 87 6.708 -10.334 -5.644 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.197 -12.689 -5.865 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.525 -12.742 -7.482 1.00 0.00 H new ATOM 0 HG2 GLN A 87 8.332 -11.459 -8.390 1.00 0.00 H new ATOM 0 HG3 GLN A 87 8.897 -10.985 -6.800 1.00 0.00 H new ATOM 0 HE21 GLN A 87 7.981 -14.140 -8.291 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.497 -14.957 -7.895 1.00 0.00 H new ATOM 1354 N GLU A 88 5.552 -10.386 -8.753 1.00 0.00 N ATOM 1355 CA GLU A 88 5.448 -9.603 -9.981 1.00 0.00 C ATOM 1356 C GLU A 88 5.068 -8.157 -9.670 1.00 0.00 C ATOM 1357 O GLU A 88 5.358 -7.247 -10.447 1.00 0.00 O ATOM 1358 CB GLU A 88 4.413 -10.225 -10.921 1.00 0.00 C ATOM 1359 CG GLU A 88 4.844 -10.235 -12.378 1.00 0.00 C ATOM 1360 CD GLU A 88 5.773 -11.388 -12.704 1.00 0.00 C ATOM 1361 OE1 GLU A 88 5.479 -12.525 -12.279 1.00 0.00 O ATOM 1362 OE2 GLU A 88 6.794 -11.154 -13.383 1.00 0.00 O ATOM 0 H GLU A 88 5.063 -11.281 -8.782 1.00 0.00 H new ATOM 0 HA GLU A 88 6.421 -9.608 -10.472 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.214 -11.248 -10.603 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.476 -9.675 -10.832 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.961 -10.294 -13.014 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.343 -9.294 -12.612 1.00 0.00 H new ATOM 1369 N PHE A 89 4.415 -7.958 -8.528 1.00 0.00 N ATOM 1370 CA PHE A 89 3.993 -6.631 -8.103 1.00 0.00 C ATOM 1371 C PHE A 89 4.951 -6.055 -7.061 1.00 0.00 C ATOM 1372 O PHE A 89 5.079 -4.837 -6.930 1.00 0.00 O ATOM 1373 CB PHE A 89 2.575 -6.697 -7.530 1.00 0.00 C ATOM 1374 CG PHE A 89 2.041 -5.372 -7.065 1.00 0.00 C ATOM 1375 CD1 PHE A 89 2.526 -4.782 -5.909 1.00 0.00 C ATOM 1376 CD2 PHE A 89 1.050 -4.722 -7.781 1.00 0.00 C ATOM 1377 CE1 PHE A 89 2.033 -3.566 -5.477 1.00 0.00 C ATOM 1378 CE2 PHE A 89 0.552 -3.507 -7.353 1.00 0.00 C ATOM 1379 CZ PHE A 89 1.045 -2.927 -6.200 1.00 0.00 C ATOM 0 H PHE A 89 4.167 -8.705 -7.879 1.00 0.00 H new ATOM 0 HA PHE A 89 4.004 -5.974 -8.973 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.906 -7.100 -8.290 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.565 -7.395 -6.693 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.298 -5.278 -5.339 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.662 -5.170 -8.684 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.420 -3.116 -4.575 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.222 -3.011 -7.919 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.659 -1.976 -5.865 1.00 0.00 H new ATOM 1389 N LEU A 90 5.612 -6.935 -6.313 1.00 0.00 N ATOM 1390 CA LEU A 90 6.545 -6.508 -5.274 1.00 0.00 C ATOM 1391 C LEU A 90 7.965 -6.366 -5.816 1.00 0.00 C ATOM 1392 O LEU A 90 8.448 -5.254 -6.028 1.00 0.00 O ATOM 1393 CB LEU A 90 6.529 -7.501 -4.110 1.00 0.00 C ATOM 1394 CG LEU A 90 5.548 -7.164 -2.985 1.00 0.00 C ATOM 1395 CD1 LEU A 90 5.494 -8.294 -1.969 1.00 0.00 C ATOM 1396 CD2 LEU A 90 5.940 -5.857 -2.312 1.00 0.00 C ATOM 0 H LEU A 90 5.519 -7.946 -6.407 1.00 0.00 H new ATOM 0 HA LEU A 90 6.221 -5.529 -4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.286 -8.490 -4.499 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.533 -7.561 -3.690 1.00 0.00 H new ATOM 0 HG LEU A 90 4.554 -7.044 -3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.791 -8.037 -1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.167 -9.210 -2.461 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.485 -8.446 -1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.232 -5.632 -1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.942 -5.950 -1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.927 -5.052 -3.046 1.00 0.00 H new