USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 564 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 24 HIS : no HD1:sc= 0 K(o=-4.7,f=-2.5) USER MOD Set 1.2: A 49 ASN : amide:sc= -4.71! C(o=-4.7!,f=-2.5!) USER MOD Set 2.1: A 23 GLN : amide:sc= -1.07! C(o=-8.1!,f=-12!) USER MOD Set 2.2: A 33 HIS : no HD1:sc= -5.23! C(o=-8.1!,f=-6.2!) USER MOD Set 2.3: A 64 HIS : no HD1:sc= -1.77 K(o=-8.1,f=-6.9) USER MOD Set 3.1: A 20 HIS : no HE2:sc= -1.73 K(o=-2.3,f=-5!) USER MOD Set 3.2: A 67 ASN : amide:sc= -0.577 K(o=-2.3,f=-1.7) USER MOD Set 4.1: A 3 LYS NZ :NH3+ -110:sc= 1.22 (180deg=-0.513) USER MOD Set 4.2: A 8 ASN : amide:sc= 0.0932 K(o=1.3,f=-3.2!) USER MOD Single : A 1 CYS N :NH3+ -143:sc= 0.559 (180deg=0.0903) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.238 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00466 USER MOD Single : A 9 TYR OH : rot -23:sc= 0.11 USER MOD Single : A 12 ASN : amide:sc= -3.48! C(o=-3.5!,f=-8.9!) USER MOD Single : A 16 THR OG1 : rot -72:sc= 0.0986 USER MOD Single : A 18 SER OG : rot 73:sc= 1.27 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0312 USER MOD Single : A 28 GLN : amide:sc= 0.732 K(o=0.73,f=-0.52) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -0.242 X(o=-0.24,f=-0.68) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0949 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.425 K(o=0.43,f=-0.7) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.17) USER MOD Single : A 45 ASN : amide:sc= -2.51 X(o=-2.5,f=-2.3!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.544 K(o=0.54,f=-10!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot -82:sc= -0.649 USER MOD Single : A 66 THR OG1 : rot 130:sc= -2.44! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0261 K(o=-0.026,f=-0.58) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N CYS A 1 10.540 26.422 -21.220 1.00 0.00 N ATOM 56 CA CYS A 1 11.326 26.282 -20.006 1.00 0.00 C ATOM 57 C CYS A 1 10.466 25.790 -18.851 1.00 0.00 C ATOM 58 O CYS A 1 9.245 25.693 -18.969 1.00 0.00 O ATOM 59 CB CYS A 1 11.985 27.618 -19.650 1.00 0.00 C ATOM 60 SG CYS A 1 10.879 29.067 -19.749 1.00 0.00 S ATOM 0 H1 CYS A 1 11.114 26.139 -22.040 1.00 0.00 H new ATOM 0 H2 CYS A 1 9.698 25.814 -21.161 1.00 0.00 H new ATOM 0 H3 CYS A 1 10.244 27.413 -21.330 1.00 0.00 H new ATOM 0 HA CYS A 1 12.104 25.540 -20.185 1.00 0.00 H new ATOM 0 HB2 CYS A 1 12.384 27.552 -18.638 1.00 0.00 H new ATOM 0 HB3 CYS A 1 12.832 27.779 -20.317 1.00 0.00 H new ATOM 0 HG CYS A 1 11.539 30.139 -19.426 1.00 0.00 H new ATOM 65 N LEU A 2 11.107 25.443 -17.745 1.00 0.00 N ATOM 66 CA LEU A 2 10.384 24.984 -16.572 1.00 0.00 C ATOM 67 C LEU A 2 9.945 26.156 -15.709 1.00 0.00 C ATOM 68 O LEU A 2 10.603 27.188 -15.673 1.00 0.00 O ATOM 69 CB LEU A 2 11.252 24.040 -15.754 1.00 0.00 C ATOM 70 CG LEU A 2 10.577 23.444 -14.530 1.00 0.00 C ATOM 71 CD1 LEU A 2 9.322 22.706 -14.942 1.00 0.00 C ATOM 72 CD2 LEU A 2 11.530 22.524 -13.791 1.00 0.00 C ATOM 0 H LEU A 2 12.121 25.471 -17.637 1.00 0.00 H new ATOM 0 HA LEU A 2 9.495 24.452 -16.912 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.585 23.227 -16.399 1.00 0.00 H new ATOM 0 HB3 LEU A 2 12.144 24.578 -15.433 1.00 0.00 H new ATOM 0 HG LEU A 2 10.298 24.250 -13.852 1.00 0.00 H new ATOM 0 HD11 LEU A 2 8.843 22.281 -14.060 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.636 23.399 -15.429 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.582 21.905 -15.635 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.029 22.107 -12.918 1.00 0.00 H new ATOM 0 HD22 LEU A 2 11.841 21.715 -14.452 1.00 0.00 H new ATOM 0 HD23 LEU A 2 12.406 23.088 -13.472 1.00 0.00 H new ATOM 84 N LYS A 3 8.840 25.971 -15.000 1.00 0.00 N ATOM 85 CA LYS A 3 8.294 27.000 -14.133 1.00 0.00 C ATOM 86 C LYS A 3 8.255 26.519 -12.686 1.00 0.00 C ATOM 87 O LYS A 3 7.190 26.372 -12.088 1.00 0.00 O ATOM 88 CB LYS A 3 6.901 27.425 -14.628 1.00 0.00 C ATOM 89 CG LYS A 3 6.060 26.300 -15.206 1.00 0.00 C ATOM 90 CD LYS A 3 5.097 25.677 -14.202 1.00 0.00 C ATOM 91 CE LYS A 3 4.031 26.669 -13.759 1.00 0.00 C ATOM 92 NZ LYS A 3 3.038 26.058 -12.835 1.00 0.00 N1+ ATOM 0 H LYS A 3 8.300 25.106 -15.011 1.00 0.00 H new ATOM 0 HA LYS A 3 8.943 27.875 -14.168 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.358 27.876 -13.798 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.021 28.197 -15.388 1.00 0.00 H new ATOM 0 HG2 LYS A 3 5.491 26.682 -16.053 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.722 25.524 -15.591 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.620 24.804 -14.648 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.653 25.327 -13.332 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.509 27.516 -13.266 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.515 27.060 -14.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.122 25.969 -13.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.369 25.116 -12.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.928 26.662 -11.995 1.00 0.00 H new ATOM 106 N GLY A 4 9.433 26.246 -12.137 1.00 0.00 N ATOM 107 CA GLY A 4 9.526 25.825 -10.755 1.00 0.00 C ATOM 108 C GLY A 4 9.216 24.355 -10.597 1.00 0.00 C ATOM 109 O GLY A 4 10.032 23.504 -10.949 1.00 0.00 O ATOM 0 H GLY A 4 10.326 26.309 -12.627 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.529 26.028 -10.379 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.834 26.410 -10.149 1.00 0.00 H new ATOM 113 N THR A 5 8.030 24.050 -10.090 1.00 0.00 N ATOM 114 CA THR A 5 7.598 22.669 -9.961 1.00 0.00 C ATOM 115 C THR A 5 7.098 22.151 -11.304 1.00 0.00 C ATOM 116 O THR A 5 7.065 20.946 -11.539 1.00 0.00 O ATOM 117 CB THR A 5 6.498 22.524 -8.890 1.00 0.00 C ATOM 118 OG1 THR A 5 5.460 23.490 -9.105 1.00 0.00 O ATOM 119 CG2 THR A 5 7.079 22.702 -7.497 1.00 0.00 C ATOM 0 H THR A 5 7.353 24.739 -9.763 1.00 0.00 H new ATOM 0 HA THR A 5 8.455 22.074 -9.644 1.00 0.00 H new ATOM 0 HB THR A 5 6.077 21.522 -8.972 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.768 23.385 -8.419 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.287 22.596 -6.756 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.843 21.945 -7.322 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.524 23.693 -7.413 1.00 0.00 H new ATOM 127 N GLY A 6 6.725 23.095 -12.169 1.00 0.00 N ATOM 128 CA GLY A 6 6.367 22.804 -13.547 1.00 0.00 C ATOM 129 C GLY A 6 5.478 21.598 -13.739 1.00 0.00 C ATOM 130 O GLY A 6 5.826 20.684 -14.483 1.00 0.00 O ATOM 0 H GLY A 6 6.664 24.084 -11.927 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.866 23.676 -13.967 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.282 22.656 -14.120 1.00 0.00 H new ATOM 134 N GLU A 7 4.320 21.603 -13.106 1.00 0.00 N ATOM 135 CA GLU A 7 3.381 20.509 -13.264 1.00 0.00 C ATOM 136 C GLU A 7 2.712 20.623 -14.618 1.00 0.00 C ATOM 137 O GLU A 7 2.712 19.689 -15.412 1.00 0.00 O ATOM 138 CB GLU A 7 2.321 20.516 -12.173 1.00 0.00 C ATOM 139 CG GLU A 7 2.696 21.347 -10.973 1.00 0.00 C ATOM 140 CD GLU A 7 2.237 22.779 -11.121 1.00 0.00 C ATOM 141 OE1 GLU A 7 2.877 23.530 -11.886 1.00 0.00 O ATOM 142 OE2 GLU A 7 1.223 23.146 -10.496 1.00 0.00 O1- ATOM 0 H GLU A 7 4.009 22.347 -12.482 1.00 0.00 H new ATOM 0 HA GLU A 7 3.933 19.572 -13.188 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.387 20.894 -12.588 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.136 19.491 -11.851 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.253 20.913 -10.077 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.777 21.323 -10.837 1.00 0.00 H new ATOM 149 N ASN A 8 2.165 21.798 -14.880 1.00 0.00 N ATOM 150 CA ASN A 8 1.459 22.046 -16.123 1.00 0.00 C ATOM 151 C ASN A 8 2.184 23.096 -16.957 1.00 0.00 C ATOM 152 O ASN A 8 1.563 23.786 -17.758 1.00 0.00 O ATOM 153 CB ASN A 8 0.017 22.491 -15.848 1.00 0.00 C ATOM 154 CG ASN A 8 -0.064 23.875 -15.219 1.00 0.00 C ATOM 155 OD1 ASN A 8 0.829 24.294 -14.477 1.00 0.00 O ATOM 156 ND2 ASN A 8 -1.136 24.589 -15.512 1.00 0.00 N ATOM 0 H ASN A 8 2.197 22.596 -14.246 1.00 0.00 H new ATOM 0 HA ASN A 8 1.433 21.114 -16.687 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.544 22.488 -16.783 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.462 21.768 -15.187 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.249 25.524 -15.120 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.851 24.205 -16.130 1.00 0.00 H new ATOM 163 N TYR A 9 3.500 23.200 -16.752 1.00 0.00 N ATOM 164 CA TYR A 9 4.347 24.149 -17.484 1.00 0.00 C ATOM 165 C TYR A 9 3.979 24.246 -18.978 1.00 0.00 C ATOM 166 O TYR A 9 3.308 25.189 -19.390 1.00 0.00 O ATOM 167 CB TYR A 9 5.847 23.806 -17.295 1.00 0.00 C ATOM 168 CG TYR A 9 6.307 22.455 -17.828 1.00 0.00 C ATOM 169 CD1 TYR A 9 5.574 21.293 -17.609 1.00 0.00 C ATOM 170 CD2 TYR A 9 7.482 22.356 -18.564 1.00 0.00 C ATOM 171 CE1 TYR A 9 6.000 20.077 -18.106 1.00 0.00 C ATOM 172 CE2 TYR A 9 7.911 21.144 -19.065 1.00 0.00 C ATOM 173 CZ TYR A 9 7.169 20.010 -18.835 1.00 0.00 C ATOM 174 OH TYR A 9 7.589 18.809 -19.352 1.00 0.00 O ATOM 0 H TYR A 9 4.008 22.630 -16.076 1.00 0.00 H new ATOM 0 HA TYR A 9 4.161 25.135 -17.057 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.438 24.583 -17.779 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.075 23.848 -16.230 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.657 21.343 -17.041 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.070 23.243 -18.747 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.421 19.183 -17.925 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.826 21.087 -19.636 1.00 0.00 H new ATOM 0 HH TYR A 9 7.193 18.075 -18.838 1.00 0.00 H new ATOM 184 N ARG A 10 4.437 23.298 -19.785 1.00 0.00 N ATOM 185 CA ARG A 10 4.093 23.250 -21.193 1.00 0.00 C ATOM 186 C ARG A 10 3.681 21.839 -21.595 1.00 0.00 C ATOM 187 O ARG A 10 2.649 21.637 -22.227 1.00 0.00 O ATOM 188 CB ARG A 10 5.278 23.709 -22.048 1.00 0.00 C ATOM 189 CG ARG A 10 5.599 25.181 -21.898 1.00 0.00 C ATOM 190 CD ARG A 10 6.550 25.444 -20.745 1.00 0.00 C ATOM 191 NE ARG A 10 7.035 26.825 -20.749 1.00 0.00 N ATOM 192 CZ ARG A 10 6.960 27.663 -19.710 1.00 0.00 C ATOM 193 NH1 ARG A 10 6.331 27.313 -18.596 1.00 0.00 N1+ ATOM 194 NH2 ARG A 10 7.495 28.870 -19.803 1.00 0.00 N ATOM 0 H ARG A 10 5.054 22.545 -19.480 1.00 0.00 H new ATOM 0 HA ARG A 10 3.253 23.923 -21.362 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.158 23.125 -21.779 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.063 23.497 -23.095 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.041 25.551 -22.823 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.676 25.739 -21.740 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.044 25.238 -19.802 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.397 24.760 -20.808 1.00 0.00 H new ATOM 0 HE ARG A 10 7.461 27.174 -21.607 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.896 26.393 -18.523 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.282 27.964 -17.812 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.961 29.156 -20.664 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.441 29.514 -19.014 1.00 0.00 H new ATOM 208 N GLY A 11 4.490 20.863 -21.205 1.00 0.00 N ATOM 209 CA GLY A 11 4.231 19.491 -21.589 1.00 0.00 C ATOM 210 C GLY A 11 4.995 19.125 -22.840 1.00 0.00 C ATOM 211 O GLY A 11 4.414 18.709 -23.836 1.00 0.00 O ATOM 0 H GLY A 11 5.321 20.998 -20.629 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.515 18.822 -20.776 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.163 19.352 -21.757 1.00 0.00 H new ATOM 215 N ASN A 12 6.306 19.303 -22.785 1.00 0.00 N ATOM 216 CA ASN A 12 7.163 19.056 -23.938 1.00 0.00 C ATOM 217 C ASN A 12 7.961 17.767 -23.772 1.00 0.00 C ATOM 218 O ASN A 12 7.761 16.806 -24.515 1.00 0.00 O ATOM 219 CB ASN A 12 8.102 20.250 -24.179 1.00 0.00 C ATOM 220 CG ASN A 12 8.631 20.873 -22.898 1.00 0.00 C ATOM 221 OD1 ASN A 12 9.605 20.411 -22.319 1.00 0.00 O ATOM 222 ND2 ASN A 12 7.994 21.946 -22.456 1.00 0.00 N ATOM 0 H ASN A 12 6.803 19.619 -21.952 1.00 0.00 H new ATOM 0 HA ASN A 12 6.522 18.938 -24.811 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.944 19.923 -24.789 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.570 21.010 -24.751 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.312 22.415 -21.608 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.185 22.304 -22.964 1.00 0.00 H new ATOM 229 N VAL A 13 8.866 17.753 -22.805 1.00 0.00 N ATOM 230 CA VAL A 13 9.674 16.580 -22.522 1.00 0.00 C ATOM 231 C VAL A 13 8.807 15.416 -22.045 1.00 0.00 C ATOM 232 O VAL A 13 7.983 15.571 -21.143 1.00 0.00 O ATOM 233 CB VAL A 13 10.739 16.907 -21.459 1.00 0.00 C ATOM 234 CG1 VAL A 13 11.519 15.665 -21.063 1.00 0.00 C ATOM 235 CG2 VAL A 13 11.677 17.991 -21.968 1.00 0.00 C ATOM 0 H VAL A 13 9.059 18.550 -22.199 1.00 0.00 H new ATOM 0 HA VAL A 13 10.169 16.284 -23.447 1.00 0.00 H new ATOM 0 HB VAL A 13 10.229 17.276 -20.569 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.263 15.927 -20.311 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.836 14.921 -20.653 1.00 0.00 H new ATOM 0 HG13 VAL A 13 12.018 15.254 -21.940 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.425 18.212 -21.206 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.174 17.646 -22.875 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.106 18.893 -22.188 1.00 0.00 H new ATOM 245 N ALA A 14 8.993 14.263 -22.671 1.00 0.00 N ATOM 246 CA ALA A 14 8.250 13.060 -22.329 1.00 0.00 C ATOM 247 C ALA A 14 9.216 11.921 -21.985 1.00 0.00 C ATOM 248 O ALA A 14 8.913 10.735 -22.171 1.00 0.00 O ATOM 249 CB ALA A 14 7.344 12.676 -23.486 1.00 0.00 C ATOM 0 H ALA A 14 9.663 14.136 -23.430 1.00 0.00 H new ATOM 0 HA ALA A 14 7.632 13.252 -21.452 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.788 11.775 -23.229 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.646 13.489 -23.686 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.948 12.489 -24.374 1.00 0.00 H new ATOM 255 N VAL A 15 10.389 12.301 -21.491 1.00 0.00 N ATOM 256 CA VAL A 15 11.435 11.354 -21.119 1.00 0.00 C ATOM 257 C VAL A 15 12.087 11.815 -19.820 1.00 0.00 C ATOM 258 O VAL A 15 12.254 13.016 -19.600 1.00 0.00 O ATOM 259 CB VAL A 15 12.519 11.239 -22.224 1.00 0.00 C ATOM 260 CG1 VAL A 15 13.616 10.263 -21.821 1.00 0.00 C ATOM 261 CG2 VAL A 15 11.901 10.818 -23.548 1.00 0.00 C ATOM 0 H VAL A 15 10.642 13.277 -21.337 1.00 0.00 H new ATOM 0 HA VAL A 15 10.977 10.373 -20.990 1.00 0.00 H new ATOM 0 HB VAL A 15 12.968 12.225 -22.348 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.360 10.204 -22.615 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.091 10.609 -20.903 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.183 9.277 -21.656 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.681 10.744 -24.306 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.416 9.849 -23.431 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.163 11.558 -23.857 1.00 0.00 H new ATOM 271 N THR A 16 12.438 10.865 -18.961 1.00 0.00 N ATOM 272 CA THR A 16 13.066 11.176 -17.680 1.00 0.00 C ATOM 273 C THR A 16 14.395 11.905 -17.887 1.00 0.00 C ATOM 274 O THR A 16 14.873 12.017 -19.017 1.00 0.00 O ATOM 275 CB THR A 16 13.318 9.890 -16.863 1.00 0.00 C ATOM 276 OG1 THR A 16 14.225 9.033 -17.574 1.00 0.00 O ATOM 277 CG2 THR A 16 12.017 9.144 -16.603 1.00 0.00 C ATOM 0 H THR A 16 12.298 9.869 -19.128 1.00 0.00 H new ATOM 0 HA THR A 16 12.382 11.823 -17.130 1.00 0.00 H new ATOM 0 HB THR A 16 13.752 10.175 -15.905 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.768 8.643 -18.348 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.224 8.243 -16.026 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.336 9.785 -16.043 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.559 8.869 -17.553 1.00 0.00 H new ATOM 285 N VAL A 17 15.001 12.399 -16.817 1.00 0.00 N ATOM 286 CA VAL A 17 16.314 13.017 -16.926 1.00 0.00 C ATOM 287 C VAL A 17 17.346 11.985 -17.401 1.00 0.00 C ATOM 288 O VAL A 17 18.321 12.323 -18.076 1.00 0.00 O ATOM 289 CB VAL A 17 16.745 13.682 -15.594 1.00 0.00 C ATOM 290 CG1 VAL A 17 16.730 12.692 -14.443 1.00 0.00 C ATOM 291 CG2 VAL A 17 18.112 14.338 -15.726 1.00 0.00 C ATOM 0 H VAL A 17 14.611 12.385 -15.875 1.00 0.00 H new ATOM 0 HA VAL A 17 16.257 13.812 -17.670 1.00 0.00 H new ATOM 0 HB VAL A 17 16.015 14.460 -15.369 1.00 0.00 H new ATOM 0 HG11 VAL A 17 17.038 13.195 -13.526 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.723 12.295 -14.318 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.419 11.875 -14.657 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.389 14.796 -14.777 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.853 13.585 -15.995 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.075 15.103 -16.501 1.00 0.00 H new ATOM 301 N SER A 18 17.101 10.720 -17.072 1.00 0.00 N ATOM 302 CA SER A 18 17.898 9.620 -17.597 1.00 0.00 C ATOM 303 C SER A 18 17.239 9.065 -18.866 1.00 0.00 C ATOM 304 O SER A 18 16.265 9.629 -19.363 1.00 0.00 O ATOM 305 CB SER A 18 18.027 8.526 -16.540 1.00 0.00 C ATOM 306 OG SER A 18 18.417 9.073 -15.291 1.00 0.00 O ATOM 0 H SER A 18 16.353 10.432 -16.441 1.00 0.00 H new ATOM 0 HA SER A 18 18.895 9.981 -17.849 1.00 0.00 H new ATOM 0 HB2 SER A 18 17.076 8.005 -16.432 1.00 0.00 H new ATOM 0 HB3 SER A 18 18.760 7.787 -16.863 1.00 0.00 H new ATOM 0 HG SER A 18 17.660 9.552 -14.893 1.00 0.00 H new ATOM 312 N GLY A 19 17.748 7.950 -19.373 1.00 0.00 N ATOM 313 CA GLY A 19 17.260 7.411 -20.633 1.00 0.00 C ATOM 314 C GLY A 19 16.022 6.541 -20.487 1.00 0.00 C ATOM 315 O GLY A 19 15.775 5.661 -21.314 1.00 0.00 O ATOM 0 H GLY A 19 18.492 7.406 -18.935 1.00 0.00 H new ATOM 0 HA2 GLY A 19 17.035 8.237 -21.308 1.00 0.00 H new ATOM 0 HA3 GLY A 19 18.052 6.825 -21.098 1.00 0.00 H new ATOM 319 N HIS A 20 15.236 6.780 -19.448 1.00 0.00 N ATOM 320 CA HIS A 20 14.018 6.013 -19.232 1.00 0.00 C ATOM 321 C HIS A 20 12.830 6.691 -19.908 1.00 0.00 C ATOM 322 O HIS A 20 12.565 7.872 -19.685 1.00 0.00 O ATOM 323 CB HIS A 20 13.732 5.835 -17.738 1.00 0.00 C ATOM 324 CG HIS A 20 14.799 5.094 -16.989 1.00 0.00 C ATOM 325 ND1 HIS A 20 15.779 5.723 -16.256 1.00 0.00 N ATOM 326 CD2 HIS A 20 15.039 3.767 -16.864 1.00 0.00 C ATOM 327 CE1 HIS A 20 16.580 4.820 -15.726 1.00 0.00 C ATOM 328 NE2 HIS A 20 16.153 3.625 -16.077 1.00 0.00 N ATOM 0 H HIS A 20 15.418 7.495 -18.744 1.00 0.00 H new ATOM 0 HA HIS A 20 14.166 5.028 -19.674 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.603 6.818 -17.285 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.787 5.304 -17.622 1.00 0.00 H new ATOM 0 HD1 HIS A 20 15.871 6.732 -16.141 1.00 0.00 H new ATOM 0 HD2 HIS A 20 14.460 2.968 -17.303 1.00 0.00 H new ATOM 0 HE1 HIS A 20 17.441 5.026 -15.108 1.00 0.00 H new ATOM 337 N THR A 21 12.131 5.942 -20.741 1.00 0.00 N ATOM 338 CA THR A 21 10.927 6.429 -21.397 1.00 0.00 C ATOM 339 C THR A 21 9.826 6.706 -20.376 1.00 0.00 C ATOM 340 O THR A 21 9.512 5.849 -19.547 1.00 0.00 O ATOM 341 CB THR A 21 10.432 5.394 -22.428 1.00 0.00 C ATOM 342 OG1 THR A 21 11.341 5.335 -23.537 1.00 0.00 O ATOM 343 CG2 THR A 21 9.025 5.711 -22.916 1.00 0.00 C ATOM 0 H THR A 21 12.379 4.982 -20.983 1.00 0.00 H new ATOM 0 HA THR A 21 11.170 7.361 -21.907 1.00 0.00 H new ATOM 0 HB THR A 21 10.397 4.422 -21.935 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.022 4.675 -24.187 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.713 4.959 -23.641 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.337 5.707 -22.070 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.016 6.694 -23.387 1.00 0.00 H new ATOM 351 N CYS A 22 9.271 7.916 -20.407 1.00 0.00 N ATOM 352 CA CYS A 22 8.137 8.235 -19.558 1.00 0.00 C ATOM 353 C CYS A 22 6.908 7.440 -19.979 1.00 0.00 C ATOM 354 O CYS A 22 6.374 7.632 -21.068 1.00 0.00 O ATOM 355 CB CYS A 22 7.822 9.727 -19.592 1.00 0.00 C ATOM 356 SG CYS A 22 8.998 10.763 -18.672 1.00 0.00 S ATOM 0 H CYS A 22 9.587 8.680 -21.005 1.00 0.00 H new ATOM 0 HA CYS A 22 8.406 7.962 -18.538 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.800 10.058 -20.630 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.823 9.884 -19.186 1.00 0.00 H new ATOM 361 N GLN A 23 6.504 6.520 -19.129 1.00 0.00 N ATOM 362 CA GLN A 23 5.259 5.792 -19.294 1.00 0.00 C ATOM 363 C GLN A 23 4.062 6.743 -19.215 1.00 0.00 C ATOM 364 O GLN A 23 4.071 7.706 -18.441 1.00 0.00 O ATOM 365 CB GLN A 23 5.160 4.734 -18.198 1.00 0.00 C ATOM 366 CG GLN A 23 3.794 4.097 -18.081 1.00 0.00 C ATOM 367 CD GLN A 23 3.382 3.929 -16.644 1.00 0.00 C ATOM 368 OE1 GLN A 23 3.674 2.925 -16.008 1.00 0.00 O ATOM 369 NE2 GLN A 23 2.720 4.933 -16.113 1.00 0.00 N ATOM 0 H GLN A 23 7.032 6.253 -18.298 1.00 0.00 H new ATOM 0 HA GLN A 23 5.247 5.315 -20.274 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.898 3.955 -18.391 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.420 5.190 -17.243 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.060 4.712 -18.601 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.802 3.125 -18.574 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.496 5.752 -16.678 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.430 4.893 -15.136 1.00 0.00 H new ATOM 378 N HIS A 24 3.034 6.452 -20.014 1.00 0.00 N ATOM 379 CA HIS A 24 1.827 7.279 -20.082 1.00 0.00 C ATOM 380 C HIS A 24 1.148 7.407 -18.727 1.00 0.00 C ATOM 381 O HIS A 24 1.117 6.464 -17.934 1.00 0.00 O ATOM 382 CB HIS A 24 0.818 6.685 -21.064 1.00 0.00 C ATOM 383 CG HIS A 24 1.248 6.722 -22.495 1.00 0.00 C ATOM 384 ND1 HIS A 24 2.047 5.759 -23.065 1.00 0.00 N ATOM 385 CD2 HIS A 24 0.970 7.606 -23.479 1.00 0.00 C ATOM 386 CE1 HIS A 24 2.242 6.046 -24.334 1.00 0.00 C ATOM 387 NE2 HIS A 24 1.597 7.164 -24.616 1.00 0.00 N ATOM 0 H HIS A 24 3.014 5.639 -20.630 1.00 0.00 H new ATOM 0 HA HIS A 24 2.148 8.266 -20.416 1.00 0.00 H new ATOM 0 HB2 HIS A 24 0.623 5.650 -20.783 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.124 7.224 -20.967 1.00 0.00 H new ATOM 0 HD2 HIS A 24 0.366 8.496 -23.387 1.00 0.00 H new ATOM 0 HE1 HIS A 24 2.831 5.465 -25.029 1.00 0.00 H new ATOM 0 HE2 HIS A 24 1.570 7.622 -25.527 1.00 0.00 H new ATOM 396 N TRP A 25 0.608 8.590 -18.472 1.00 0.00 N ATOM 397 CA TRP A 25 -0.184 8.839 -17.274 1.00 0.00 C ATOM 398 C TRP A 25 -1.494 8.069 -17.339 1.00 0.00 C ATOM 399 O TRP A 25 -2.016 7.617 -16.324 1.00 0.00 O ATOM 400 CB TRP A 25 -0.464 10.329 -17.110 1.00 0.00 C ATOM 401 CG TRP A 25 0.774 11.155 -17.005 1.00 0.00 C ATOM 402 CD1 TRP A 25 1.269 12.004 -17.949 1.00 0.00 C ATOM 403 CD2 TRP A 25 1.678 11.209 -15.899 1.00 0.00 C ATOM 404 NE1 TRP A 25 2.423 12.586 -17.493 1.00 0.00 N ATOM 405 CE2 TRP A 25 2.698 12.113 -16.241 1.00 0.00 C ATOM 406 CE3 TRP A 25 1.724 10.583 -14.653 1.00 0.00 C ATOM 407 CZ2 TRP A 25 3.754 12.404 -15.380 1.00 0.00 C ATOM 408 CZ3 TRP A 25 2.770 10.871 -13.802 1.00 0.00 C ATOM 409 CH2 TRP A 25 3.774 11.773 -14.168 1.00 0.00 C ATOM 0 H TRP A 25 0.705 9.400 -19.084 1.00 0.00 H new ATOM 0 HA TRP A 25 0.388 8.497 -16.411 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -1.053 10.676 -17.959 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -1.071 10.481 -16.217 1.00 0.00 H new ATOM 0 HD1 TRP A 25 0.819 12.190 -18.913 1.00 0.00 H new ATOM 0 HE1 TRP A 25 2.986 13.264 -18.006 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.954 9.885 -14.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.528 13.103 -15.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.815 10.391 -12.835 1.00 0.00 H new ATOM 0 HH2 TRP A 25 4.581 11.975 -13.479 1.00 0.00 H new ATOM 420 N SER A 26 -2.019 7.938 -18.547 1.00 0.00 N ATOM 421 CA SER A 26 -3.253 7.214 -18.783 1.00 0.00 C ATOM 422 C SER A 26 -3.038 5.708 -18.650 1.00 0.00 C ATOM 423 O SER A 26 -3.992 4.939 -18.527 1.00 0.00 O ATOM 424 CB SER A 26 -3.764 7.562 -20.176 1.00 0.00 C ATOM 425 OG SER A 26 -2.695 7.556 -21.112 1.00 0.00 O ATOM 0 H SER A 26 -1.600 8.331 -19.390 1.00 0.00 H new ATOM 0 HA SER A 26 -3.991 7.505 -18.036 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.526 6.845 -20.480 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.238 8.544 -20.162 1.00 0.00 H new ATOM 0 HG SER A 26 -3.038 7.779 -22.002 1.00 0.00 H new ATOM 431 N ALA A 27 -1.777 5.300 -18.671 1.00 0.00 N ATOM 432 CA ALA A 27 -1.422 3.898 -18.566 1.00 0.00 C ATOM 433 C ALA A 27 -1.158 3.524 -17.120 1.00 0.00 C ATOM 434 O ALA A 27 -0.513 4.266 -16.381 1.00 0.00 O ATOM 435 CB ALA A 27 -0.198 3.596 -19.413 1.00 0.00 C ATOM 0 H ALA A 27 -0.979 5.929 -18.761 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.259 3.304 -18.934 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.055 2.540 -19.323 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.410 3.831 -20.456 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.641 4.201 -19.069 1.00 0.00 H new ATOM 441 N GLN A 28 -1.677 2.383 -16.716 1.00 0.00 N ATOM 442 CA GLN A 28 -1.390 1.837 -15.403 1.00 0.00 C ATOM 443 C GLN A 28 -0.396 0.695 -15.548 1.00 0.00 C ATOM 444 O GLN A 28 -0.093 -0.026 -14.602 1.00 0.00 O ATOM 445 CB GLN A 28 -2.676 1.372 -14.716 1.00 0.00 C ATOM 446 CG GLN A 28 -3.586 2.517 -14.283 1.00 0.00 C ATOM 447 CD GLN A 28 -3.074 3.208 -13.050 1.00 0.00 C ATOM 448 OE1 GLN A 28 -3.432 2.859 -11.926 1.00 0.00 O ATOM 449 NE2 GLN A 28 -2.205 4.178 -13.253 1.00 0.00 N ATOM 0 H GLN A 28 -2.304 1.811 -17.282 1.00 0.00 H new ATOM 0 HA GLN A 28 -0.951 2.611 -14.774 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.225 0.720 -15.395 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.416 0.776 -13.842 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.671 3.240 -15.095 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.588 2.132 -14.093 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.938 4.433 -14.204 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.799 4.674 -12.459 1.00 0.00 H new ATOM 458 N THR A 29 0.096 0.558 -16.763 1.00 0.00 N ATOM 459 CA THR A 29 1.147 -0.384 -17.091 1.00 0.00 C ATOM 460 C THR A 29 2.245 0.371 -17.837 1.00 0.00 C ATOM 461 O THR A 29 1.937 1.209 -18.684 1.00 0.00 O ATOM 462 CB THR A 29 0.597 -1.528 -17.972 1.00 0.00 C ATOM 463 OG1 THR A 29 -0.524 -2.146 -17.327 1.00 0.00 O ATOM 464 CG2 THR A 29 1.657 -2.581 -18.249 1.00 0.00 C ATOM 0 H THR A 29 -0.227 1.105 -17.561 1.00 0.00 H new ATOM 0 HA THR A 29 1.544 -0.827 -16.178 1.00 0.00 H new ATOM 0 HB THR A 29 0.289 -1.093 -18.923 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.869 -2.869 -17.892 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.233 -3.369 -18.871 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.499 -2.122 -18.768 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.001 -3.008 -17.307 1.00 0.00 H new ATOM 472 N PRO A 30 3.536 0.120 -17.555 1.00 0.00 N ATOM 473 CA PRO A 30 4.003 -0.890 -16.585 1.00 0.00 C ATOM 474 C PRO A 30 3.620 -0.607 -15.123 1.00 0.00 C ATOM 475 O PRO A 30 3.186 -1.510 -14.407 1.00 0.00 O ATOM 476 CB PRO A 30 5.531 -0.853 -16.744 1.00 0.00 C ATOM 477 CG PRO A 30 5.840 0.461 -17.383 1.00 0.00 C ATOM 478 CD PRO A 30 4.653 0.809 -18.220 1.00 0.00 C ATOM 0 HA PRO A 30 3.539 -1.855 -16.791 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.027 -0.945 -15.778 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.880 -1.680 -17.362 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.022 1.227 -16.629 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.740 0.394 -17.994 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.492 1.886 -18.257 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.776 0.470 -19.248 1.00 0.00 H new ATOM 486 N HIS A 31 3.787 0.632 -14.682 1.00 0.00 N ATOM 487 CA HIS A 31 3.628 0.970 -13.266 1.00 0.00 C ATOM 488 C HIS A 31 2.203 1.415 -12.925 1.00 0.00 C ATOM 489 O HIS A 31 1.688 2.379 -13.499 1.00 0.00 O ATOM 490 CB HIS A 31 4.639 2.049 -12.861 1.00 0.00 C ATOM 491 CG HIS A 31 6.047 1.540 -12.747 1.00 0.00 C ATOM 492 ND1 HIS A 31 7.005 1.717 -13.726 1.00 0.00 N ATOM 493 CD2 HIS A 31 6.658 0.859 -11.748 1.00 0.00 C ATOM 494 CE1 HIS A 31 8.139 1.166 -13.332 1.00 0.00 C ATOM 495 NE2 HIS A 31 7.957 0.641 -12.137 1.00 0.00 N ATOM 0 H HIS A 31 4.032 1.422 -15.279 1.00 0.00 H new ATOM 0 HA HIS A 31 3.821 0.062 -12.695 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.611 2.855 -13.594 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.338 2.477 -11.905 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.860 2.198 -14.614 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.207 0.546 -10.818 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.061 1.149 -13.895 1.00 0.00 H new ATOM 504 N THR A 32 1.589 0.722 -11.966 1.00 0.00 N ATOM 505 CA THR A 32 0.233 1.025 -11.509 1.00 0.00 C ATOM 506 C THR A 32 0.213 2.209 -10.541 1.00 0.00 C ATOM 507 O THR A 32 0.124 2.052 -9.321 1.00 0.00 O ATOM 508 CB THR A 32 -0.390 -0.208 -10.838 1.00 0.00 C ATOM 509 OG1 THR A 32 0.645 -1.016 -10.253 1.00 0.00 O ATOM 510 CG2 THR A 32 -1.175 -1.033 -11.843 1.00 0.00 C ATOM 0 H THR A 32 2.019 -0.067 -11.483 1.00 0.00 H new ATOM 0 HA THR A 32 -0.355 1.298 -12.385 1.00 0.00 H new ATOM 0 HB THR A 32 -1.074 0.132 -10.061 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.244 -1.801 -9.824 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.606 -1.901 -11.344 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.973 -0.425 -12.268 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.509 -1.366 -12.639 1.00 0.00 H new ATOM 518 N HIS A 33 0.299 3.396 -11.112 1.00 0.00 N ATOM 519 CA HIS A 33 0.423 4.637 -10.342 1.00 0.00 C ATOM 520 C HIS A 33 -0.931 5.296 -10.098 1.00 0.00 C ATOM 521 O HIS A 33 -1.807 5.234 -10.942 1.00 0.00 O ATOM 522 CB HIS A 33 1.328 5.613 -11.087 1.00 0.00 C ATOM 523 CG HIS A 33 0.842 5.940 -12.468 1.00 0.00 C ATOM 524 ND1 HIS A 33 0.176 7.101 -12.782 1.00 0.00 N ATOM 525 CD2 HIS A 33 0.923 5.239 -13.618 1.00 0.00 C ATOM 526 CE1 HIS A 33 -0.134 7.093 -14.060 1.00 0.00 C ATOM 527 NE2 HIS A 33 0.310 5.978 -14.593 1.00 0.00 N ATOM 0 H HIS A 33 0.286 3.536 -12.122 1.00 0.00 H new ATOM 0 HA HIS A 33 0.853 4.382 -9.373 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.409 6.535 -10.511 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.330 5.190 -11.153 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.387 4.272 -13.746 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.665 7.874 -14.584 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.214 5.708 -15.572 1.00 0.00 H new ATOM 536 N ASN A 34 -1.083 5.983 -8.980 1.00 0.00 N ATOM 537 CA ASN A 34 -2.328 6.699 -8.719 1.00 0.00 C ATOM 538 C ASN A 34 -2.201 8.178 -9.080 1.00 0.00 C ATOM 539 O ASN A 34 -2.832 9.038 -8.472 1.00 0.00 O ATOM 540 CB ASN A 34 -2.758 6.545 -7.265 1.00 0.00 C ATOM 541 CG ASN A 34 -2.938 5.092 -6.864 1.00 0.00 C ATOM 542 OD1 ASN A 34 -3.996 4.504 -7.083 1.00 0.00 O ATOM 543 ND2 ASN A 34 -1.910 4.502 -6.268 1.00 0.00 N ATOM 0 H ASN A 34 -0.377 6.063 -8.248 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.097 6.256 -9.353 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.013 7.008 -6.618 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.694 7.081 -7.107 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.981 3.528 -5.974 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.048 5.023 -6.103 1.00 0.00 H new ATOM 550 N ARG A 36 -1.349 8.469 -10.054 1.00 0.00 N ATOM 551 CA ARG A 36 -1.280 9.807 -10.634 1.00 0.00 C ATOM 552 C ARG A 36 -1.704 9.746 -12.088 1.00 0.00 C ATOM 553 O ARG A 36 -0.866 9.695 -12.983 1.00 0.00 O ATOM 554 CB ARG A 36 0.127 10.430 -10.543 1.00 0.00 C ATOM 555 CG ARG A 36 0.530 10.927 -9.162 1.00 0.00 C ATOM 556 CD ARG A 36 0.958 9.786 -8.265 1.00 0.00 C ATOM 557 NE ARG A 36 1.150 10.209 -6.880 1.00 0.00 N ATOM 558 CZ ARG A 36 0.525 9.663 -5.841 1.00 0.00 C ATOM 559 NH1 ARG A 36 -0.397 8.728 -6.026 1.00 0.00 N1+ ATOM 560 NH2 ARG A 36 0.812 10.075 -4.619 1.00 0.00 N ATOM 0 H ARG A 36 -0.696 7.799 -10.460 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.953 10.441 -10.057 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.856 9.690 -10.872 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.183 11.264 -11.242 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.346 11.643 -9.256 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.307 11.456 -8.706 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.206 8.998 -8.300 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.886 9.358 -8.644 1.00 0.00 H new ATOM 0 HE ARG A 36 1.804 10.970 -6.699 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.631 8.423 -6.971 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.872 8.314 -5.224 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.508 10.807 -4.478 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.337 9.661 -3.817 1.00 0.00 H new ATOM 574 N THR A 37 -3.000 9.726 -12.306 1.00 0.00 N ATOM 575 CA THR A 37 -3.560 9.601 -13.635 1.00 0.00 C ATOM 576 C THR A 37 -4.340 10.866 -13.963 1.00 0.00 C ATOM 577 O THR A 37 -4.681 11.619 -13.052 1.00 0.00 O ATOM 578 CB THR A 37 -4.476 8.356 -13.718 1.00 0.00 C ATOM 579 OG1 THR A 37 -5.445 8.404 -12.661 1.00 0.00 O ATOM 580 CG2 THR A 37 -3.652 7.075 -13.599 1.00 0.00 C ATOM 0 H THR A 37 -3.698 9.796 -11.565 1.00 0.00 H new ATOM 0 HA THR A 37 -2.757 9.474 -14.361 1.00 0.00 H new ATOM 0 HB THR A 37 -4.983 8.357 -14.683 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.026 7.617 -12.714 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.313 6.210 -13.659 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.925 7.033 -14.410 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.129 7.066 -12.642 1.00 0.00 H new ATOM 588 N PRO A 38 -4.593 11.157 -15.248 1.00 0.00 N ATOM 589 CA PRO A 38 -5.377 12.330 -15.647 1.00 0.00 C ATOM 590 C PRO A 38 -6.749 12.371 -14.972 1.00 0.00 C ATOM 591 O PRO A 38 -7.362 13.429 -14.854 1.00 0.00 O ATOM 592 CB PRO A 38 -5.517 12.201 -17.169 1.00 0.00 C ATOM 593 CG PRO A 38 -4.947 10.872 -17.541 1.00 0.00 C ATOM 594 CD PRO A 38 -4.092 10.408 -16.403 1.00 0.00 C ATOM 0 HA PRO A 38 -4.887 13.256 -15.346 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.563 12.271 -17.469 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.985 13.006 -17.676 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.745 10.155 -17.737 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.358 10.951 -18.455 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.182 9.333 -16.250 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.038 10.617 -16.586 1.00 0.00 H new ATOM 602 N GLU A 39 -7.211 11.214 -14.512 1.00 0.00 N ATOM 603 CA GLU A 39 -8.461 11.122 -13.768 1.00 0.00 C ATOM 604 C GLU A 39 -8.282 11.664 -12.350 1.00 0.00 C ATOM 605 O GLU A 39 -9.231 12.129 -11.722 1.00 0.00 O ATOM 606 CB GLU A 39 -8.921 9.665 -13.697 1.00 0.00 C ATOM 607 CG GLU A 39 -9.087 9.011 -15.054 1.00 0.00 C ATOM 608 CD GLU A 39 -9.580 7.582 -14.957 1.00 0.00 C ATOM 609 OE1 GLU A 39 -8.749 6.671 -14.776 1.00 0.00 O ATOM 610 OE2 GLU A 39 -10.800 7.360 -15.068 1.00 0.00 O1- ATOM 0 H GLU A 39 -6.735 10.321 -14.643 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.213 11.719 -14.285 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.199 9.093 -13.114 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.870 9.619 -13.163 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.789 9.594 -15.650 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.132 9.027 -15.580 1.00 0.00 H new ATOM 617 N ASN A 40 -7.049 11.613 -11.866 1.00 0.00 N ATOM 618 CA ASN A 40 -6.734 11.979 -10.489 1.00 0.00 C ATOM 619 C ASN A 40 -6.189 13.389 -10.399 1.00 0.00 C ATOM 620 O ASN A 40 -6.436 14.103 -9.427 1.00 0.00 O ATOM 621 CB ASN A 40 -5.713 10.991 -9.906 1.00 0.00 C ATOM 622 CG ASN A 40 -6.353 9.719 -9.380 1.00 0.00 C ATOM 623 OD1 ASN A 40 -7.425 9.320 -9.828 1.00 0.00 O ATOM 624 ND2 ASN A 40 -5.690 9.052 -8.445 1.00 0.00 N ATOM 0 H ASN A 40 -6.240 11.318 -12.413 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.658 11.937 -9.912 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -4.985 10.734 -10.675 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -5.166 11.477 -9.098 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.068 8.179 -8.076 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.802 9.412 -8.095 1.00 0.00 H new ATOM 631 N PHE A 41 -5.452 13.788 -11.413 1.00 0.00 N ATOM 632 CA PHE A 41 -4.849 15.108 -11.437 1.00 0.00 C ATOM 633 C PHE A 41 -5.064 15.761 -12.798 1.00 0.00 C ATOM 634 O PHE A 41 -4.116 15.975 -13.556 1.00 0.00 O ATOM 635 CB PHE A 41 -3.357 15.018 -11.109 1.00 0.00 C ATOM 636 CG PHE A 41 -3.074 14.510 -9.721 1.00 0.00 C ATOM 637 CD1 PHE A 41 -2.946 13.151 -9.476 1.00 0.00 C ATOM 638 CD2 PHE A 41 -2.935 15.391 -8.662 1.00 0.00 C ATOM 639 CE1 PHE A 41 -2.683 12.683 -8.203 1.00 0.00 C ATOM 640 CE2 PHE A 41 -2.673 14.928 -7.385 1.00 0.00 C ATOM 641 CZ PHE A 41 -2.547 13.573 -7.156 1.00 0.00 C ATOM 0 H PHE A 41 -5.254 13.217 -12.235 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.329 15.727 -10.679 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.874 14.362 -11.833 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.908 16.005 -11.224 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.053 12.450 -10.290 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.032 16.453 -8.835 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.584 11.622 -8.027 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.567 15.626 -6.568 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.342 13.209 -6.160 1.00 0.00 H new ATOM 651 N PRO A 42 -6.325 16.084 -13.123 1.00 0.00 N ATOM 652 CA PRO A 42 -6.686 16.660 -14.420 1.00 0.00 C ATOM 653 C PRO A 42 -6.087 18.052 -14.621 1.00 0.00 C ATOM 654 O PRO A 42 -5.664 18.413 -15.722 1.00 0.00 O ATOM 655 CB PRO A 42 -8.219 16.740 -14.379 1.00 0.00 C ATOM 656 CG PRO A 42 -8.635 15.878 -13.236 1.00 0.00 C ATOM 657 CD PRO A 42 -7.503 15.913 -12.255 1.00 0.00 C ATOM 0 HA PRO A 42 -6.306 16.058 -15.245 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.554 17.767 -14.237 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.655 16.388 -15.314 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.555 16.248 -12.783 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -8.831 14.859 -13.568 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.607 16.735 -11.547 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.445 14.995 -11.671 1.00 0.00 H new ATOM 665 N SER A 43 -6.025 18.815 -13.539 1.00 0.00 N ATOM 666 CA SER A 43 -5.539 20.187 -13.586 1.00 0.00 C ATOM 667 C SER A 43 -4.011 20.235 -13.560 1.00 0.00 C ATOM 668 O SER A 43 -3.412 21.307 -13.458 1.00 0.00 O ATOM 669 CB SER A 43 -6.124 20.979 -12.419 1.00 0.00 C ATOM 670 OG SER A 43 -7.541 20.891 -12.420 1.00 0.00 O ATOM 0 H SER A 43 -6.308 18.504 -12.610 1.00 0.00 H new ATOM 0 HA SER A 43 -5.864 20.639 -14.523 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.730 20.595 -11.478 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.818 22.023 -12.490 1.00 0.00 H new ATOM 0 HG SER A 43 -7.901 21.402 -11.665 1.00 0.00 H new ATOM 676 N LYS A 44 -3.385 19.070 -13.665 1.00 0.00 N ATOM 677 CA LYS A 44 -1.934 18.987 -13.730 1.00 0.00 C ATOM 678 C LYS A 44 -1.518 18.544 -15.119 1.00 0.00 C ATOM 679 O LYS A 44 -0.337 18.385 -15.420 1.00 0.00 O ATOM 680 CB LYS A 44 -1.379 18.037 -12.662 1.00 0.00 C ATOM 681 CG LYS A 44 -1.545 18.564 -11.243 1.00 0.00 C ATOM 682 CD LYS A 44 -1.052 20.000 -11.123 1.00 0.00 C ATOM 683 CE LYS A 44 -1.325 20.581 -9.745 1.00 0.00 C ATOM 684 NZ LYS A 44 -1.032 22.042 -9.686 1.00 0.00 N1+ ATOM 0 H LYS A 44 -3.861 18.169 -13.707 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.517 19.974 -13.528 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.882 17.074 -12.746 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.321 17.862 -12.856 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.595 18.513 -10.955 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.993 17.929 -10.550 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.018 20.034 -11.326 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.539 20.615 -11.879 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.368 20.410 -9.480 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.718 20.059 -9.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.166 22.384 -8.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.049 22.211 -9.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.676 22.551 -10.324 1.00 0.00 H new ATOM 698 N ASN A 45 -2.545 18.352 -15.947 1.00 0.00 N ATOM 699 CA ASN A 45 -2.401 18.067 -17.368 1.00 0.00 C ATOM 700 C ASN A 45 -1.619 16.789 -17.617 1.00 0.00 C ATOM 701 O ASN A 45 -0.595 16.796 -18.291 1.00 0.00 O ATOM 702 CB ASN A 45 -1.759 19.249 -18.107 1.00 0.00 C ATOM 703 CG ASN A 45 -2.554 20.538 -17.970 1.00 0.00 C ATOM 704 OD1 ASN A 45 -2.023 21.633 -18.169 1.00 0.00 O ATOM 705 ND2 ASN A 45 -3.820 20.423 -17.585 1.00 0.00 N ATOM 0 H ASN A 45 -3.517 18.392 -15.640 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.405 17.917 -17.765 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.752 19.407 -17.722 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.661 19.000 -19.164 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.388 21.258 -17.444 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.224 19.499 -17.430 1.00 0.00 H new ATOM 712 N LEU A 46 -2.138 15.681 -17.110 1.00 0.00 N ATOM 713 CA LEU A 46 -1.511 14.378 -17.300 1.00 0.00 C ATOM 714 C LEU A 46 -1.806 13.849 -18.699 1.00 0.00 C ATOM 715 O LEU A 46 -2.436 12.807 -18.884 1.00 0.00 O ATOM 716 CB LEU A 46 -1.996 13.402 -16.220 1.00 0.00 C ATOM 717 CG LEU A 46 -1.072 13.247 -14.997 1.00 0.00 C ATOM 718 CD1 LEU A 46 -0.157 14.448 -14.831 1.00 0.00 C ATOM 719 CD2 LEU A 46 -1.883 13.047 -13.724 1.00 0.00 C ATOM 0 H LEU A 46 -2.997 15.657 -16.560 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.430 14.481 -17.204 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.976 13.730 -15.873 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.132 12.422 -16.677 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.457 12.365 -15.173 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.480 14.302 -13.958 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.465 14.557 -15.720 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.758 15.347 -14.696 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.207 12.940 -12.875 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.531 13.909 -13.566 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.492 12.148 -13.818 1.00 0.00 H new ATOM 731 N ASP A 47 -1.320 14.597 -19.674 1.00 0.00 N ATOM 732 CA ASP A 47 -1.522 14.299 -21.081 1.00 0.00 C ATOM 733 C ASP A 47 -0.405 13.417 -21.615 1.00 0.00 C ATOM 734 O ASP A 47 0.776 13.682 -21.370 1.00 0.00 O ATOM 735 CB ASP A 47 -1.584 15.600 -21.888 1.00 0.00 C ATOM 736 CG ASP A 47 -2.870 16.373 -21.652 1.00 0.00 C ATOM 737 OD1 ASP A 47 -3.960 15.803 -21.864 1.00 0.00 O1- ATOM 738 OD2 ASP A 47 -2.793 17.563 -21.272 1.00 0.00 O1- ATOM 0 H ASP A 47 -0.767 15.438 -19.509 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.465 13.762 -21.184 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.733 16.228 -21.624 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.493 15.370 -22.949 1.00 0.00 H new ATOM 743 N GLU A 48 -0.790 12.377 -22.350 1.00 0.00 N ATOM 744 CA GLU A 48 0.156 11.422 -22.922 1.00 0.00 C ATOM 745 C GLU A 48 1.070 10.831 -21.854 1.00 0.00 C ATOM 746 O GLU A 48 0.651 10.001 -21.046 1.00 0.00 O ATOM 747 CB GLU A 48 1.005 12.070 -24.022 1.00 0.00 C ATOM 748 CG GLU A 48 0.260 12.317 -25.321 1.00 0.00 C ATOM 749 CD GLU A 48 -0.070 11.031 -26.048 1.00 0.00 C ATOM 750 OE1 GLU A 48 0.847 10.440 -26.657 1.00 0.00 O ATOM 751 OE2 GLU A 48 -1.239 10.600 -26.010 1.00 0.00 O1- ATOM 0 H GLU A 48 -1.766 12.172 -22.566 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.435 10.617 -23.360 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.394 13.019 -23.653 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.864 11.431 -24.225 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.662 12.860 -25.111 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.864 12.953 -25.968 1.00 0.00 H new ATOM 758 N ASN A 49 2.316 11.274 -21.858 1.00 0.00 N ATOM 759 CA ASN A 49 3.303 10.818 -20.895 1.00 0.00 C ATOM 760 C ASN A 49 4.324 11.914 -20.641 1.00 0.00 C ATOM 761 O ASN A 49 5.436 11.656 -20.189 1.00 0.00 O ATOM 762 CB ASN A 49 3.979 9.544 -21.398 1.00 0.00 C ATOM 763 CG ASN A 49 4.641 9.710 -22.754 1.00 0.00 C ATOM 764 OD1 ASN A 49 4.002 9.549 -23.794 1.00 0.00 O ATOM 765 ND2 ASN A 49 5.926 10.009 -22.752 1.00 0.00 N ATOM 0 H ASN A 49 2.671 11.958 -22.527 1.00 0.00 H new ATOM 0 HA ASN A 49 2.806 10.588 -19.952 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.728 9.228 -20.672 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.238 8.747 -21.459 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.426 10.115 -23.635 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.419 10.134 -21.868 1.00 0.00 H new ATOM 772 N TYR A 50 3.927 13.138 -20.967 1.00 0.00 N ATOM 773 CA TYR A 50 4.744 14.323 -20.733 1.00 0.00 C ATOM 774 C TYR A 50 5.168 14.410 -19.276 1.00 0.00 C ATOM 775 O TYR A 50 4.405 14.050 -18.383 1.00 0.00 O ATOM 776 CB TYR A 50 3.953 15.581 -21.091 1.00 0.00 C ATOM 777 CG TYR A 50 3.316 15.547 -22.459 1.00 0.00 C ATOM 778 CD1 TYR A 50 3.821 14.729 -23.458 1.00 0.00 C ATOM 779 CD2 TYR A 50 2.218 16.343 -22.752 1.00 0.00 C ATOM 780 CE1 TYR A 50 3.249 14.707 -24.717 1.00 0.00 C ATOM 781 CE2 TYR A 50 1.638 16.325 -24.001 1.00 0.00 C ATOM 782 CZ TYR A 50 2.157 15.508 -24.983 1.00 0.00 C ATOM 783 OH TYR A 50 1.583 15.496 -26.233 1.00 0.00 O ATOM 0 H TYR A 50 3.027 13.338 -21.403 1.00 0.00 H new ATOM 0 HA TYR A 50 5.632 14.248 -21.360 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.174 15.731 -20.344 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.618 16.443 -21.034 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.674 14.100 -23.250 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.811 16.988 -21.987 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.654 14.067 -25.487 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.781 16.948 -24.210 1.00 0.00 H new ATOM 0 HH TYR A 50 0.824 16.116 -26.251 1.00 0.00 H new ATOM 793 N CYS A 51 6.380 14.886 -19.047 1.00 0.00 N ATOM 794 CA CYS A 51 6.894 15.073 -17.695 1.00 0.00 C ATOM 795 C CYS A 51 6.079 16.101 -16.921 1.00 0.00 C ATOM 796 O CYS A 51 6.393 17.290 -16.924 1.00 0.00 O ATOM 797 CB CYS A 51 8.344 15.525 -17.739 1.00 0.00 C ATOM 798 SG CYS A 51 9.533 14.246 -18.236 1.00 0.00 S ATOM 0 H CYS A 51 7.033 15.153 -19.784 1.00 0.00 H new ATOM 0 HA CYS A 51 6.818 14.112 -17.185 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.426 16.364 -18.430 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.623 15.896 -16.753 1.00 0.00 H new ATOM 803 N ARG A 52 5.029 15.639 -16.273 1.00 0.00 N ATOM 804 CA ARG A 52 4.206 16.498 -15.447 1.00 0.00 C ATOM 805 C ARG A 52 4.638 16.391 -13.995 1.00 0.00 C ATOM 806 O ARG A 52 5.577 15.673 -13.672 1.00 0.00 O ATOM 807 CB ARG A 52 2.735 16.114 -15.594 1.00 0.00 C ATOM 808 CG ARG A 52 2.205 16.275 -17.010 1.00 0.00 C ATOM 809 CD ARG A 52 2.479 17.670 -17.546 1.00 0.00 C ATOM 810 NE ARG A 52 1.795 17.928 -18.809 1.00 0.00 N ATOM 811 CZ ARG A 52 1.559 19.144 -19.288 1.00 0.00 C ATOM 812 NH1 ARG A 52 1.940 20.211 -18.602 1.00 0.00 N1+ ATOM 813 NH2 ARG A 52 0.915 19.297 -20.437 1.00 0.00 N ATOM 0 H ARG A 52 4.724 14.666 -16.303 1.00 0.00 H new ATOM 0 HA ARG A 52 4.331 17.530 -15.774 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.605 15.078 -15.282 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.138 16.728 -14.919 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.670 15.535 -17.661 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.132 16.082 -17.023 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.163 18.408 -16.808 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.552 17.798 -17.685 1.00 0.00 H new ATOM 0 HE ARG A 52 1.480 17.127 -19.356 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.415 20.099 -17.706 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.759 21.145 -18.970 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.598 18.479 -20.957 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.736 20.233 -20.801 1.00 0.00 H new ATOM 827 N ASN A 53 3.957 17.101 -13.121 1.00 0.00 N ATOM 828 CA ASN A 53 4.235 17.004 -11.696 1.00 0.00 C ATOM 829 C ASN A 53 2.925 16.972 -10.904 1.00 0.00 C ATOM 830 O ASN A 53 2.598 17.901 -10.165 1.00 0.00 O ATOM 831 CB ASN A 53 5.142 18.160 -11.261 1.00 0.00 C ATOM 832 CG ASN A 53 5.556 18.090 -9.802 1.00 0.00 C ATOM 833 OD1 ASN A 53 5.404 17.057 -9.144 1.00 0.00 O ATOM 834 ND2 ASN A 53 6.124 19.179 -9.302 1.00 0.00 N ATOM 0 H ASN A 53 3.209 17.750 -13.366 1.00 0.00 H new ATOM 0 HA ASN A 53 4.764 16.074 -11.489 1.00 0.00 H new ATOM 0 HB2 ASN A 53 6.036 18.164 -11.884 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.625 19.103 -11.439 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.455 19.184 -8.337 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.229 20.011 -9.882 1.00 0.00 H new ATOM 841 N PRO A 54 2.146 15.886 -11.073 1.00 0.00 N ATOM 842 CA PRO A 54 0.844 15.731 -10.418 1.00 0.00 C ATOM 843 C PRO A 54 0.959 15.552 -8.909 1.00 0.00 C ATOM 844 O PRO A 54 0.243 16.198 -8.149 1.00 0.00 O ATOM 845 CB PRO A 54 0.259 14.473 -11.061 1.00 0.00 C ATOM 846 CG PRO A 54 1.431 13.714 -11.582 1.00 0.00 C ATOM 847 CD PRO A 54 2.474 14.734 -11.934 1.00 0.00 C ATOM 0 HA PRO A 54 0.225 16.619 -10.549 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.299 13.883 -10.334 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.433 14.727 -11.864 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.807 13.017 -10.833 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.154 13.124 -12.456 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.480 14.362 -11.738 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.433 15.000 -12.990 1.00 0.00 H new ATOM 855 N ASP A 55 1.861 14.664 -8.486 1.00 0.00 N ATOM 856 CA ASP A 55 2.075 14.386 -7.063 1.00 0.00 C ATOM 857 C ASP A 55 2.426 15.658 -6.294 1.00 0.00 C ATOM 858 O ASP A 55 1.981 15.855 -5.163 1.00 0.00 O ATOM 859 CB ASP A 55 3.189 13.353 -6.884 1.00 0.00 C ATOM 860 CG ASP A 55 3.320 12.860 -5.455 1.00 0.00 C ATOM 861 OD1 ASP A 55 4.012 13.510 -4.653 1.00 0.00 O1- ATOM 862 OD2 ASP A 55 2.752 11.795 -5.141 1.00 0.00 O1- ATOM 0 H ASP A 55 2.458 14.123 -9.111 1.00 0.00 H new ATOM 0 HA ASP A 55 1.143 13.988 -6.661 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.997 12.503 -7.539 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.136 13.791 -7.199 1.00 0.00 H new ATOM 867 N GLY A 56 3.213 16.523 -6.923 1.00 0.00 N ATOM 868 CA GLY A 56 3.570 17.783 -6.307 1.00 0.00 C ATOM 869 C GLY A 56 4.970 17.775 -5.739 1.00 0.00 C ATOM 870 O GLY A 56 5.187 18.166 -4.593 1.00 0.00 O ATOM 0 H GLY A 56 3.610 16.372 -7.850 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.486 18.581 -7.045 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.860 18.008 -5.511 1.00 0.00 H new ATOM 874 N LYS A 57 5.927 17.347 -6.549 1.00 0.00 N ATOM 875 CA LYS A 57 7.318 17.311 -6.131 1.00 0.00 C ATOM 876 C LYS A 57 7.964 18.664 -6.411 1.00 0.00 C ATOM 877 O LYS A 57 7.260 19.633 -6.706 1.00 0.00 O ATOM 878 CB LYS A 57 8.086 16.198 -6.867 1.00 0.00 C ATOM 879 CG LYS A 57 7.325 14.884 -7.013 1.00 0.00 C ATOM 880 CD LYS A 57 6.729 14.390 -5.700 1.00 0.00 C ATOM 881 CE LYS A 57 7.792 14.024 -4.680 1.00 0.00 C ATOM 882 NZ LYS A 57 7.183 13.492 -3.431 1.00 0.00 N1+ ATOM 0 H LYS A 57 5.764 17.019 -7.501 1.00 0.00 H new ATOM 0 HA LYS A 57 7.357 17.098 -5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.356 16.558 -7.860 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.017 16.005 -6.334 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.525 15.013 -7.742 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.998 14.123 -7.409 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.082 15.163 -5.285 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.102 13.520 -5.894 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.465 13.279 -5.105 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.394 14.903 -4.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.934 13.251 -2.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.560 14.213 -3.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.629 12.640 -3.651 1.00 0.00 H new ATOM 896 N ARG A 59 9.282 18.739 -6.330 1.00 0.00 N ATOM 897 CA ARG A 59 9.985 19.986 -6.619 1.00 0.00 C ATOM 898 C ARG A 59 10.026 20.255 -8.120 1.00 0.00 C ATOM 899 O ARG A 59 10.111 21.402 -8.554 1.00 0.00 O ATOM 900 CB ARG A 59 11.416 19.930 -6.084 1.00 0.00 C ATOM 901 CG ARG A 59 12.254 18.849 -6.744 1.00 0.00 C ATOM 902 CD ARG A 59 13.679 18.831 -6.213 1.00 0.00 C ATOM 903 NE ARG A 59 14.424 20.041 -6.575 1.00 0.00 N ATOM 904 CZ ARG A 59 15.751 20.149 -6.502 1.00 0.00 C ATOM 905 NH1 ARG A 59 16.487 19.103 -6.140 1.00 0.00 N1+ ATOM 906 NH2 ARG A 59 16.343 21.296 -6.812 1.00 0.00 N ATOM 0 H ARG A 59 9.886 17.960 -6.069 1.00 0.00 H new ATOM 0 HA ARG A 59 9.441 20.792 -6.127 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.894 20.897 -6.238 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.389 19.756 -5.008 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.791 17.877 -6.574 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.270 19.010 -7.822 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.659 18.731 -5.128 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.199 17.956 -6.604 1.00 0.00 H new ATOM 0 HE ARG A 59 13.895 20.849 -6.903 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.037 18.215 -5.917 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.502 19.188 -6.085 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.783 22.096 -7.106 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.358 21.377 -6.756 1.00 0.00 H new ATOM 920 N ALA A 60 9.952 19.191 -8.904 1.00 0.00 N ATOM 921 CA ALA A 60 10.155 19.286 -10.341 1.00 0.00 C ATOM 922 C ALA A 60 9.310 18.252 -11.072 1.00 0.00 C ATOM 923 O ALA A 60 8.809 17.314 -10.449 1.00 0.00 O ATOM 924 CB ALA A 60 11.631 19.084 -10.665 1.00 0.00 C ATOM 0 H ALA A 60 9.752 18.249 -8.568 1.00 0.00 H new ATOM 0 HA ALA A 60 9.846 20.277 -10.675 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.780 19.156 -11.742 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.222 19.852 -10.165 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.948 18.100 -10.320 1.00 0.00 H new ATOM 930 N PRO A 61 9.125 18.423 -12.394 1.00 0.00 N ATOM 931 CA PRO A 61 8.425 17.448 -13.230 1.00 0.00 C ATOM 932 C PRO A 61 9.048 16.067 -13.127 1.00 0.00 C ATOM 933 O PRO A 61 10.271 15.922 -13.044 1.00 0.00 O ATOM 934 CB PRO A 61 8.593 17.993 -14.647 1.00 0.00 C ATOM 935 CG PRO A 61 8.819 19.443 -14.469 1.00 0.00 C ATOM 936 CD PRO A 61 9.565 19.588 -13.174 1.00 0.00 C ATOM 0 HA PRO A 61 7.384 17.329 -12.930 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.434 17.521 -15.155 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.707 17.802 -15.252 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.394 19.853 -15.299 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.874 19.985 -14.438 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.644 19.583 -13.329 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.319 20.524 -12.672 1.00 0.00 H new ATOM 944 N TRP A 62 8.201 15.063 -13.142 1.00 0.00 N ATOM 945 CA TRP A 62 8.629 13.694 -12.987 1.00 0.00 C ATOM 946 C TRP A 62 7.679 12.780 -13.742 1.00 0.00 C ATOM 947 O TRP A 62 6.601 13.203 -14.154 1.00 0.00 O ATOM 948 CB TRP A 62 8.661 13.330 -11.500 1.00 0.00 C ATOM 949 CG TRP A 62 7.315 13.360 -10.841 1.00 0.00 C ATOM 950 CD1 TRP A 62 6.690 14.435 -10.280 1.00 0.00 C ATOM 951 CD2 TRP A 62 6.434 12.252 -10.671 1.00 0.00 C ATOM 952 NE1 TRP A 62 5.468 14.056 -9.772 1.00 0.00 N ATOM 953 CE2 TRP A 62 5.291 12.716 -9.999 1.00 0.00 C ATOM 954 CE3 TRP A 62 6.509 10.908 -11.027 1.00 0.00 C ATOM 955 CZ2 TRP A 62 4.228 11.873 -9.675 1.00 0.00 C ATOM 956 CZ3 TRP A 62 5.459 10.078 -10.706 1.00 0.00 C ATOM 957 CH2 TRP A 62 4.332 10.562 -10.035 1.00 0.00 C ATOM 0 H TRP A 62 7.194 15.174 -13.262 1.00 0.00 H new ATOM 0 HA TRP A 62 9.632 13.572 -13.395 1.00 0.00 H new ATOM 0 HB2 TRP A 62 9.088 12.333 -11.389 1.00 0.00 H new ATOM 0 HB3 TRP A 62 9.325 14.021 -10.981 1.00 0.00 H new ATOM 0 HD1 TRP A 62 7.094 15.436 -10.240 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.803 14.672 -9.303 1.00 0.00 H new ATOM 0 HE3 TRP A 62 7.375 10.524 -11.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.355 12.245 -9.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 5.507 9.034 -10.977 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.527 9.883 -9.797 1.00 0.00 H new ATOM 968 N CYS A 63 8.065 11.537 -13.929 1.00 0.00 N ATOM 969 CA CYS A 63 7.200 10.599 -14.611 1.00 0.00 C ATOM 970 C CYS A 63 7.515 9.177 -14.183 1.00 0.00 C ATOM 971 O CYS A 63 8.378 8.947 -13.338 1.00 0.00 O ATOM 972 CB CYS A 63 7.355 10.747 -16.126 1.00 0.00 C ATOM 973 SG CYS A 63 8.891 10.029 -16.785 1.00 0.00 S ATOM 0 H CYS A 63 8.960 11.155 -13.623 1.00 0.00 H new ATOM 0 HA CYS A 63 6.167 10.817 -14.341 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.505 10.273 -16.616 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.321 11.806 -16.383 1.00 0.00 H new ATOM 978 N HIS A 64 6.798 8.224 -14.757 1.00 0.00 N ATOM 979 CA HIS A 64 7.004 6.820 -14.442 1.00 0.00 C ATOM 980 C HIS A 64 7.760 6.171 -15.573 1.00 0.00 C ATOM 981 O HIS A 64 7.408 6.354 -16.728 1.00 0.00 O ATOM 982 CB HIS A 64 5.661 6.118 -14.223 1.00 0.00 C ATOM 983 CG HIS A 64 4.895 6.689 -13.078 1.00 0.00 C ATOM 984 ND1 HIS A 64 3.948 7.680 -13.230 1.00 0.00 N ATOM 985 CD2 HIS A 64 4.949 6.421 -11.751 1.00 0.00 C ATOM 986 CE1 HIS A 64 3.455 7.998 -12.050 1.00 0.00 C ATOM 987 NE2 HIS A 64 4.044 7.248 -11.137 1.00 0.00 N ATOM 0 H HIS A 64 6.066 8.398 -15.446 1.00 0.00 H new ATOM 0 HA HIS A 64 7.582 6.734 -13.522 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.062 6.196 -15.131 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.835 5.057 -14.046 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.585 5.694 -11.268 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.698 8.745 -11.862 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.856 7.279 -10.135 1.00 0.00 H new ATOM 996 N THR A 65 8.805 5.438 -15.255 1.00 0.00 N ATOM 997 CA THR A 65 9.633 4.842 -16.285 1.00 0.00 C ATOM 998 C THR A 65 8.980 3.573 -16.827 1.00 0.00 C ATOM 999 O THR A 65 8.326 2.832 -16.085 1.00 0.00 O ATOM 1000 CB THR A 65 11.042 4.519 -15.744 1.00 0.00 C ATOM 1001 OG1 THR A 65 11.001 3.351 -14.922 1.00 0.00 O ATOM 1002 CG2 THR A 65 11.583 5.691 -14.933 1.00 0.00 C ATOM 0 H THR A 65 9.101 5.240 -14.299 1.00 0.00 H new ATOM 0 HA THR A 65 9.732 5.564 -17.095 1.00 0.00 H new ATOM 0 HB THR A 65 11.701 4.339 -16.594 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.706 3.596 -14.020 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.577 5.447 -14.559 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.641 6.576 -15.567 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.918 5.890 -14.093 1.00 0.00 H new ATOM 1010 N THR A 66 9.123 3.348 -18.127 1.00 0.00 N ATOM 1011 CA THR A 66 8.659 2.117 -18.756 1.00 0.00 C ATOM 1012 C THR A 66 9.606 0.952 -18.475 1.00 0.00 C ATOM 1013 O THR A 66 9.527 -0.098 -19.117 1.00 0.00 O ATOM 1014 CB THR A 66 8.519 2.294 -20.276 1.00 0.00 C ATOM 1015 OG1 THR A 66 9.711 2.890 -20.805 1.00 0.00 O ATOM 1016 CG2 THR A 66 7.319 3.161 -20.608 1.00 0.00 C ATOM 0 H THR A 66 9.560 4.007 -18.771 1.00 0.00 H new ATOM 0 HA THR A 66 7.684 1.891 -18.326 1.00 0.00 H new ATOM 0 HB THR A 66 8.371 1.313 -20.728 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.027 2.366 -21.571 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.239 3.273 -21.689 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.413 2.691 -20.224 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.441 4.142 -20.150 1.00 0.00 H new ATOM 1024 N ASN A 67 10.492 1.142 -17.508 1.00 0.00 N ATOM 1025 CA ASN A 67 11.481 0.134 -17.162 1.00 0.00 C ATOM 1026 C ASN A 67 11.189 -0.423 -15.779 1.00 0.00 C ATOM 1027 O ASN A 67 10.828 0.317 -14.868 1.00 0.00 O ATOM 1028 CB ASN A 67 12.891 0.733 -17.200 1.00 0.00 C ATOM 1029 CG ASN A 67 13.330 1.111 -18.604 1.00 0.00 C ATOM 1030 OD1 ASN A 67 13.952 0.317 -19.305 1.00 0.00 O ATOM 1031 ND2 ASN A 67 13.007 2.329 -19.021 1.00 0.00 N ATOM 0 H ASN A 67 10.545 1.992 -16.946 1.00 0.00 H new ATOM 0 HA ASN A 67 11.427 -0.674 -17.891 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.923 1.617 -16.563 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.598 0.015 -16.784 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.276 2.636 -19.956 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.489 2.958 -18.407 1.00 0.00 H new ATOM 1038 N SER A 68 11.352 -1.725 -15.623 1.00 0.00 N ATOM 1039 CA SER A 68 11.046 -2.387 -14.363 1.00 0.00 C ATOM 1040 C SER A 68 12.168 -2.179 -13.347 1.00 0.00 C ATOM 1041 O SER A 68 12.079 -2.631 -12.204 1.00 0.00 O ATOM 1042 CB SER A 68 10.827 -3.879 -14.612 1.00 0.00 C ATOM 1043 OG SER A 68 9.920 -4.084 -15.685 1.00 0.00 O ATOM 0 H SER A 68 11.695 -2.348 -16.354 1.00 0.00 H new ATOM 0 HA SER A 68 10.137 -1.950 -13.951 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.780 -4.358 -14.839 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.440 -4.350 -13.708 1.00 0.00 H new ATOM 0 HG SER A 68 9.795 -5.045 -15.829 1.00 0.00 H new ATOM 1049 N GLN A 69 13.220 -1.487 -13.770 1.00 0.00 N ATOM 1050 CA GLN A 69 14.377 -1.255 -12.928 1.00 0.00 C ATOM 1051 C GLN A 69 14.072 -0.202 -11.870 1.00 0.00 C ATOM 1052 O GLN A 69 14.388 -0.367 -10.691 1.00 0.00 O ATOM 1053 CB GLN A 69 15.541 -0.773 -13.791 1.00 0.00 C ATOM 1054 CG GLN A 69 15.627 -1.453 -15.148 1.00 0.00 C ATOM 1055 CD GLN A 69 15.675 -2.964 -15.062 1.00 0.00 C ATOM 1056 OE1 GLN A 69 16.137 -3.533 -14.074 1.00 0.00 O ATOM 1057 NE2 GLN A 69 15.215 -3.621 -16.112 1.00 0.00 N ATOM 0 H GLN A 69 13.290 -1.075 -14.701 1.00 0.00 H new ATOM 0 HA GLN A 69 14.637 -2.189 -12.430 1.00 0.00 H new ATOM 0 HB2 GLN A 69 15.448 0.303 -13.940 1.00 0.00 H new ATOM 0 HB3 GLN A 69 16.473 -0.941 -13.252 1.00 0.00 H new ATOM 0 HG2 GLN A 69 14.767 -1.158 -15.749 1.00 0.00 H new ATOM 0 HG3 GLN A 69 16.516 -1.098 -15.668 1.00 0.00 H new ATOM 0 HE21 GLN A 69 14.840 -3.108 -16.910 1.00 0.00 H new ATOM 0 HE22 GLN A 69 15.234 -4.641 -16.124 1.00 0.00 H new ATOM 1066 N VAL A 70 13.437 0.872 -12.309 1.00 0.00 N ATOM 1067 CA VAL A 70 13.207 2.036 -11.473 1.00 0.00 C ATOM 1068 C VAL A 70 11.725 2.417 -11.489 1.00 0.00 C ATOM 1069 O VAL A 70 11.014 2.111 -12.444 1.00 0.00 O ATOM 1070 CB VAL A 70 14.082 3.217 -11.966 1.00 0.00 C ATOM 1071 CG1 VAL A 70 13.841 3.484 -13.441 1.00 0.00 C ATOM 1072 CG2 VAL A 70 13.843 4.479 -11.152 1.00 0.00 C ATOM 0 H VAL A 70 13.067 0.960 -13.255 1.00 0.00 H new ATOM 0 HA VAL A 70 13.486 1.799 -10.446 1.00 0.00 H new ATOM 0 HB VAL A 70 15.124 2.928 -11.826 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.465 4.316 -13.767 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.093 2.594 -14.018 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.792 3.733 -13.599 1.00 0.00 H new ATOM 0 HG21 VAL A 70 14.476 5.282 -11.531 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.797 4.772 -11.235 1.00 0.00 H new ATOM 0 HG23 VAL A 70 14.085 4.289 -10.106 1.00 0.00 H new ATOM 1082 N ARG A 71 11.257 3.060 -10.429 1.00 0.00 N ATOM 1083 CA ARG A 71 9.874 3.496 -10.359 1.00 0.00 C ATOM 1084 C ARG A 71 9.681 4.768 -11.177 1.00 0.00 C ATOM 1085 O ARG A 71 9.593 4.736 -12.408 1.00 0.00 O ATOM 1086 CB ARG A 71 9.457 3.757 -8.906 1.00 0.00 C ATOM 1087 CG ARG A 71 9.342 2.512 -8.047 1.00 0.00 C ATOM 1088 CD ARG A 71 9.351 2.864 -6.564 1.00 0.00 C ATOM 1089 NE ARG A 71 8.706 4.153 -6.289 1.00 0.00 N ATOM 1090 CZ ARG A 71 7.793 4.349 -5.334 1.00 0.00 C ATOM 1091 NH1 ARG A 71 7.348 3.327 -4.612 1.00 0.00 N1+ ATOM 1092 NH2 ARG A 71 7.328 5.573 -5.112 1.00 0.00 N ATOM 0 H ARG A 71 11.816 3.290 -9.607 1.00 0.00 H new ATOM 0 HA ARG A 71 9.249 2.702 -10.768 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.182 4.431 -8.450 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.497 4.273 -8.905 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.422 1.981 -8.292 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.168 1.836 -8.268 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.841 2.080 -6.005 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.380 2.893 -6.207 1.00 0.00 H new ATOM 0 HE ARG A 71 8.972 4.952 -6.865 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.704 2.387 -4.786 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.651 3.482 -3.884 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.668 6.357 -5.669 1.00 0.00 H new ATOM 0 HH22 ARG A 71 6.631 5.729 -4.384 1.00 0.00 H new ATOM 1106 N TRP A 72 9.587 5.881 -10.469 1.00 0.00 N ATOM 1107 CA TRP A 72 9.472 7.185 -11.086 1.00 0.00 C ATOM 1108 C TRP A 72 10.845 7.841 -11.199 1.00 0.00 C ATOM 1109 O TRP A 72 11.807 7.388 -10.577 1.00 0.00 O ATOM 1110 CB TRP A 72 8.502 8.063 -10.286 1.00 0.00 C ATOM 1111 CG TRP A 72 8.972 8.410 -8.907 1.00 0.00 C ATOM 1112 CD1 TRP A 72 9.024 7.589 -7.818 1.00 0.00 C ATOM 1113 CD2 TRP A 72 9.435 9.690 -8.466 1.00 0.00 C ATOM 1114 NE1 TRP A 72 9.489 8.280 -6.729 1.00 0.00 N ATOM 1115 CE2 TRP A 72 9.753 9.571 -7.100 1.00 0.00 C ATOM 1116 CE3 TRP A 72 9.614 10.923 -9.095 1.00 0.00 C ATOM 1117 CZ2 TRP A 72 10.239 10.640 -6.353 1.00 0.00 C ATOM 1118 CZ3 TRP A 72 10.097 11.984 -8.354 1.00 0.00 C ATOM 1119 CH2 TRP A 72 10.405 11.837 -6.997 1.00 0.00 C ATOM 0 H TRP A 72 9.589 5.902 -9.449 1.00 0.00 H new ATOM 0 HA TRP A 72 9.072 7.068 -12.093 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.326 8.986 -10.839 1.00 0.00 H new ATOM 0 HB3 TRP A 72 7.544 7.549 -10.211 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.740 6.547 -7.815 1.00 0.00 H new ATOM 0 HE1 TRP A 72 9.617 7.894 -5.793 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.379 11.045 -10.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 10.476 10.530 -5.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.239 12.943 -8.830 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.782 12.686 -6.446 1.00 0.00 H new ATOM 1130 N GLU A 73 10.927 8.905 -11.980 1.00 0.00 N ATOM 1131 CA GLU A 73 12.162 9.661 -12.114 1.00 0.00 C ATOM 1132 C GLU A 73 11.851 11.114 -12.413 1.00 0.00 C ATOM 1133 O GLU A 73 10.780 11.429 -12.933 1.00 0.00 O ATOM 1134 CB GLU A 73 13.039 9.099 -13.228 1.00 0.00 C ATOM 1135 CG GLU A 73 14.471 8.855 -12.788 1.00 0.00 C ATOM 1136 CD GLU A 73 15.426 8.693 -13.946 1.00 0.00 C ATOM 1137 OE1 GLU A 73 15.525 7.580 -14.491 1.00 0.00 O1- ATOM 1138 OE2 GLU A 73 16.105 9.677 -14.298 1.00 0.00 O1- ATOM 0 H GLU A 73 10.150 9.266 -12.533 1.00 0.00 H new ATOM 0 HA GLU A 73 12.703 9.582 -11.171 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.609 8.163 -13.584 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.036 9.791 -14.070 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.801 9.687 -12.166 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.507 7.960 -12.167 1.00 0.00 H new ATOM 1145 N TYR A 74 12.786 11.992 -12.074 1.00 0.00 N ATOM 1146 CA TYR A 74 12.650 13.409 -12.370 1.00 0.00 C ATOM 1147 C TYR A 74 12.942 13.681 -13.834 1.00 0.00 C ATOM 1148 O TYR A 74 13.491 12.835 -14.539 1.00 0.00 O ATOM 1149 CB TYR A 74 13.614 14.238 -11.523 1.00 0.00 C ATOM 1150 CG TYR A 74 13.196 14.409 -10.085 1.00 0.00 C ATOM 1151 CD1 TYR A 74 12.042 15.108 -9.757 1.00 0.00 C ATOM 1152 CD2 TYR A 74 13.965 13.887 -9.057 1.00 0.00 C ATOM 1153 CE1 TYR A 74 11.670 15.283 -8.436 1.00 0.00 C ATOM 1154 CE2 TYR A 74 13.599 14.055 -7.738 1.00 0.00 C ATOM 1155 CZ TYR A 74 12.455 14.755 -7.432 1.00 0.00 C ATOM 1156 OH TYR A 74 12.095 14.929 -6.115 1.00 0.00 O ATOM 0 H TYR A 74 13.650 11.744 -11.592 1.00 0.00 H new ATOM 0 HA TYR A 74 11.623 13.692 -12.138 1.00 0.00 H new ATOM 0 HB2 TYR A 74 14.597 13.767 -11.549 1.00 0.00 H new ATOM 0 HB3 TYR A 74 13.721 15.223 -11.977 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.427 15.520 -10.543 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.866 13.340 -9.293 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.771 15.829 -8.192 1.00 0.00 H new ATOM 0 HE2 TYR A 74 14.208 13.639 -6.949 1.00 0.00 H new ATOM 0 HH TYR A 74 12.755 14.494 -5.535 1.00 0.00 H new ATOM 1166 N CYS A 75 12.591 14.873 -14.277 1.00 0.00 N ATOM 1167 CA CYS A 75 12.894 15.296 -15.632 1.00 0.00 C ATOM 1168 C CYS A 75 13.615 16.632 -15.610 1.00 0.00 C ATOM 1169 O CYS A 75 13.198 17.564 -14.920 1.00 0.00 O ATOM 1170 CB CYS A 75 11.628 15.433 -16.466 1.00 0.00 C ATOM 1171 SG CYS A 75 10.573 13.955 -16.522 1.00 0.00 S ATOM 0 H CYS A 75 12.095 15.567 -13.718 1.00 0.00 H new ATOM 0 HA CYS A 75 13.530 14.533 -16.082 1.00 0.00 H new ATOM 0 HB2 CYS A 75 11.042 16.263 -16.073 1.00 0.00 H new ATOM 0 HB3 CYS A 75 11.911 15.697 -17.485 1.00 0.00 H new ATOM 1176 N LYS A 76 14.682 16.734 -16.375 1.00 0.00 N ATOM 1177 CA LYS A 76 15.441 17.965 -16.430 1.00 0.00 C ATOM 1178 C LYS A 76 14.869 18.882 -17.497 1.00 0.00 C ATOM 1179 O LYS A 76 15.262 18.822 -18.662 1.00 0.00 O ATOM 1180 CB LYS A 76 16.916 17.680 -16.711 1.00 0.00 C ATOM 1181 CG LYS A 76 17.795 18.916 -16.658 1.00 0.00 C ATOM 1182 CD LYS A 76 19.239 18.581 -16.978 1.00 0.00 C ATOM 1183 CE LYS A 76 20.124 19.808 -16.886 1.00 0.00 C ATOM 1184 NZ LYS A 76 21.539 19.491 -17.198 1.00 0.00 N1+ ATOM 0 H LYS A 76 15.042 15.983 -16.964 1.00 0.00 H new ATOM 0 HA LYS A 76 15.368 18.460 -15.461 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.281 16.953 -15.986 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.008 17.221 -17.696 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.426 19.658 -17.367 1.00 0.00 H new ATOM 0 HG3 LYS A 76 17.735 19.365 -15.667 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.599 17.818 -16.288 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.303 18.159 -17.981 1.00 0.00 H new ATOM 0 HE2 LYS A 76 19.762 20.570 -17.576 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.058 20.229 -15.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.113 20.355 -17.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 21.893 18.782 -16.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 21.605 19.113 -18.165 1.00 0.00 H new ATOM 1198 N ILE A 77 13.909 19.699 -17.102 1.00 0.00 N ATOM 1199 CA ILE A 77 13.358 20.700 -17.997 1.00 0.00 C ATOM 1200 C ILE A 77 14.260 21.933 -17.938 1.00 0.00 C ATOM 1201 O ILE A 77 14.901 22.157 -16.908 1.00 0.00 O ATOM 1202 CB ILE A 77 11.906 21.075 -17.591 1.00 0.00 C ATOM 1203 CG1 ILE A 77 11.059 19.818 -17.355 1.00 0.00 C ATOM 1204 CG2 ILE A 77 11.240 21.950 -18.644 1.00 0.00 C ATOM 1205 CD1 ILE A 77 11.130 18.801 -18.472 1.00 0.00 C ATOM 0 H ILE A 77 13.496 19.689 -16.170 1.00 0.00 H new ATOM 0 HA ILE A 77 13.319 20.303 -19.012 1.00 0.00 H new ATOM 0 HB ILE A 77 11.970 21.640 -16.661 1.00 0.00 H new ATOM 0 HG12 ILE A 77 11.382 19.345 -16.428 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.020 20.115 -17.216 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.226 22.193 -18.327 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.812 22.870 -18.767 1.00 0.00 H new ATOM 0 HG23 ILE A 77 11.205 21.415 -19.593 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.503 17.944 -18.225 1.00 0.00 H new ATOM 0 HD12 ILE A 77 10.777 19.253 -19.399 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.161 18.471 -18.599 1.00 0.00 H new ATOM 1217 N PRO A 78 14.371 22.730 -19.023 1.00 0.00 N ATOM 1218 CA PRO A 78 15.126 23.983 -18.989 1.00 0.00 C ATOM 1219 C PRO A 78 14.535 24.943 -17.965 1.00 0.00 C ATOM 1220 O PRO A 78 13.659 24.581 -17.195 1.00 0.00 O ATOM 1221 CB PRO A 78 14.974 24.543 -20.405 1.00 0.00 C ATOM 1222 CG PRO A 78 14.640 23.363 -21.238 1.00 0.00 C ATOM 1223 CD PRO A 78 13.794 22.492 -20.357 1.00 0.00 C ATOM 0 HA PRO A 78 16.168 23.838 -18.702 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.188 25.297 -20.451 1.00 0.00 H new ATOM 0 HB3 PRO A 78 15.894 25.020 -20.744 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.100 23.656 -22.139 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.540 22.841 -21.562 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.742 22.773 -20.400 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.856 21.442 -20.644 1.00 0.00 H new