USER MOD reduce.3.24.130724 H: found=0, std=0, add=1008, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1009 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 Single : A 8 MET CE :methyl -147:sc= -2.23! (180deg=-2.7) USER MOD Single : A 13 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.5) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 154:sc= 0.408 (180deg=0.16) USER MOD Single : A 23 ASN : amide:sc= -0.218 K(o=-0.22,f=-2.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.5 K(o=-1.5,f=-0.078) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.228 K(o=-0.23,f=-1.1) USER MOD Single : A 36 SER OG : rot 35:sc= 0.0226 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 156:sc= -0.0621 (180deg=-0.365) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -120:sc= 0.0142 USER MOD Single : A 42 GLN : amide:sc= -0.801 K(o=-0.8,f=-1.5!) USER MOD Single : A 45 TYR OH : rot 110:sc= -0.249 USER MOD Single : A 48 CYS SG : rot 142:sc= 1.46 USER MOD Single : A 52 SER OG : rot 180:sc= -0.113 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0125 X(o=-0.012,f=-0.15) USER MOD Single : A 71 LYS NZ :NH3+ -166:sc=-0.00487 (180deg=-0.171) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.0196 X(o=-0.02,f=-0.23) USER MOD Single : A 80 TYR OH : rot 11:sc= 0.165 USER MOD Single : A 83 TYR OH : rot -93:sc= 0.0813 USER MOD Single : A 88 ASN : amide:sc= 0.204 K(o=0.2,f=-2.7) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.0477 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 165:sc= -0.704 USER MOD Single : A 106 GLN : amide:sc=-0.00386 X(o=-0.0039,f=-0.03) USER MOD Single : A 107 THR OG1 : rot -25:sc= 0.527 USER MOD Single : A 110 GLN : amide:sc=-0.00707 X(o=-0.0071,f=0) USER MOD Single : A 111 ASN : amide:sc= -1.48 K(o=-1.5,f=-11!) USER MOD Single : A 112 ASN : amide:sc= -0.063 X(o=-0.063,f=-0.2) USER MOD Single : A 113 GLN : amide:sc= -2.14! K(o=-2.1!,f=-0.059) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 MET CE :methyl -110:sc= -3! (180deg=-3.97!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -15.361 5.194 7.537 1.00 0.00 N ATOM 60 CA GLY A 7 -15.208 3.897 6.901 1.00 0.00 C ATOM 61 C GLY A 7 -14.050 3.909 5.901 1.00 0.00 C ATOM 62 O GLY A 7 -12.962 3.420 6.200 1.00 0.00 O ATOM 0 HA2 GLY A 7 -15.030 3.135 7.660 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.132 3.628 6.389 1.00 0.00 H new ATOM 66 N MET A 8 -14.324 4.473 4.734 1.00 0.00 N ATOM 67 CA MET A 8 -13.319 4.556 3.688 1.00 0.00 C ATOM 68 C MET A 8 -12.914 6.009 3.431 1.00 0.00 C ATOM 69 O MET A 8 -11.736 6.302 3.231 1.00 0.00 O ATOM 70 CB MET A 8 -13.871 3.944 2.399 1.00 0.00 C ATOM 71 CG MET A 8 -12.909 4.166 1.230 1.00 0.00 C ATOM 72 SD MET A 8 -11.394 3.265 1.507 1.00 0.00 S ATOM 73 CE MET A 8 -10.204 4.506 1.027 1.00 0.00 C ATOM 0 H MET A 8 -15.228 4.877 4.490 1.00 0.00 H new ATOM 0 HA MET A 8 -12.437 4.005 4.013 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.036 2.876 2.541 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.839 4.388 2.167 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.372 3.837 0.300 1.00 0.00 H new ATOM 0 HG3 MET A 8 -12.695 5.229 1.121 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.335 4.023 0.579 1.00 0.00 H new ATOM 0 HE2 MET A 8 -10.657 5.183 0.303 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.892 5.070 1.906 1.00 0.00 H new ATOM 83 N GLU A 9 -13.912 6.879 3.444 1.00 0.00 N ATOM 84 CA GLU A 9 -13.674 8.294 3.214 1.00 0.00 C ATOM 85 C GLU A 9 -12.707 8.846 4.262 1.00 0.00 C ATOM 86 O GLU A 9 -12.162 9.937 4.096 1.00 0.00 O ATOM 87 CB GLU A 9 -14.989 9.078 3.215 1.00 0.00 C ATOM 88 CG GLU A 9 -15.055 10.037 2.024 1.00 0.00 C ATOM 89 CD GLU A 9 -16.368 10.822 2.025 1.00 0.00 C ATOM 90 OE1 GLU A 9 -17.385 10.227 1.608 1.00 0.00 O ATOM 91 OE2 GLU A 9 -16.325 11.999 2.444 1.00 0.00 O ATOM 0 H GLU A 9 -14.888 6.632 3.610 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.219 8.411 2.230 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.830 8.385 3.176 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -15.081 9.640 4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.213 10.729 2.062 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.964 9.475 1.094 1.00 0.00 H new ATOM 98 N ALA A 10 -12.521 8.069 5.319 1.00 0.00 N ATOM 99 CA ALA A 10 -11.628 8.466 6.394 1.00 0.00 C ATOM 100 C ALA A 10 -10.218 7.953 6.096 1.00 0.00 C ATOM 101 O ALA A 10 -9.248 8.702 6.192 1.00 0.00 O ATOM 102 CB ALA A 10 -12.170 7.946 7.727 1.00 0.00 C ATOM 0 H ALA A 10 -12.974 7.165 5.454 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.574 9.552 6.467 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.500 8.244 8.533 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.161 8.364 7.905 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.236 6.859 7.693 1.00 0.00 H new ATOM 108 N VAL A 11 -10.150 6.677 5.742 1.00 0.00 N ATOM 109 CA VAL A 11 -8.875 6.055 5.430 1.00 0.00 C ATOM 110 C VAL A 11 -8.143 6.896 4.382 1.00 0.00 C ATOM 111 O VAL A 11 -6.975 7.236 4.559 1.00 0.00 O ATOM 112 CB VAL A 11 -9.095 4.606 4.986 1.00 0.00 C ATOM 113 CG1 VAL A 11 -7.863 4.063 4.259 1.00 0.00 C ATOM 114 CG2 VAL A 11 -9.465 3.718 6.176 1.00 0.00 C ATOM 0 H VAL A 11 -10.957 6.058 5.665 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.242 6.018 6.316 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.930 4.593 4.286 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.045 3.032 3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.663 4.672 3.378 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.002 4.097 4.927 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.616 2.694 5.833 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.660 3.740 6.910 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.383 4.086 6.633 1.00 0.00 H new ATOM 124 N LEU A 12 -8.863 7.209 3.314 1.00 0.00 N ATOM 125 CA LEU A 12 -8.297 8.005 2.238 1.00 0.00 C ATOM 126 C LEU A 12 -7.953 9.398 2.767 1.00 0.00 C ATOM 127 O LEU A 12 -6.877 9.926 2.483 1.00 0.00 O ATOM 128 CB LEU A 12 -9.237 8.020 1.031 1.00 0.00 C ATOM 129 CG LEU A 12 -8.573 7.867 -0.338 1.00 0.00 C ATOM 130 CD1 LEU A 12 -7.577 6.705 -0.338 1.00 0.00 C ATOM 131 CD2 LEU A 12 -9.621 7.723 -1.444 1.00 0.00 C ATOM 0 H LEU A 12 -9.832 6.926 3.171 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.367 7.560 1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.964 7.217 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.793 8.957 1.040 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.008 8.776 -0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.119 6.618 -1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.803 6.889 0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.099 5.779 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.121 7.616 -2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.233 6.842 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.256 8.609 -1.461 1.00 0.00 H new ATOM 143 N ASN A 13 -8.885 9.956 3.526 1.00 0.00 N ATOM 144 CA ASN A 13 -8.694 11.278 4.097 1.00 0.00 C ATOM 145 C ASN A 13 -7.413 11.287 4.934 1.00 0.00 C ATOM 146 O ASN A 13 -6.373 11.761 4.480 1.00 0.00 O ATOM 147 CB ASN A 13 -9.860 11.657 5.012 1.00 0.00 C ATOM 148 CG ASN A 13 -10.815 12.626 4.311 1.00 0.00 C ATOM 149 OD1 ASN A 13 -11.115 13.703 4.798 1.00 0.00 O ATOM 150 ND2 ASN A 13 -11.274 12.183 3.144 1.00 0.00 N ATOM 0 H ASN A 13 -9.775 9.516 3.759 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.632 11.994 3.277 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -10.401 10.758 5.309 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.477 12.114 5.924 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.918 12.756 2.599 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.982 11.270 2.794 1.00 0.00 H new ATOM 157 N GLU A 14 -7.531 10.757 6.143 1.00 0.00 N ATOM 158 CA GLU A 14 -6.396 10.698 7.048 1.00 0.00 C ATOM 159 C GLU A 14 -5.190 10.070 6.347 1.00 0.00 C ATOM 160 O GLU A 14 -5.345 9.171 5.522 1.00 0.00 O ATOM 161 CB GLU A 14 -6.750 9.930 8.323 1.00 0.00 C ATOM 162 CG GLU A 14 -6.356 10.723 9.569 1.00 0.00 C ATOM 163 CD GLU A 14 -5.865 9.793 10.679 1.00 0.00 C ATOM 164 OE1 GLU A 14 -6.363 8.648 10.723 1.00 0.00 O ATOM 165 OE2 GLU A 14 -5.000 10.249 11.460 1.00 0.00 O ATOM 0 H GLU A 14 -8.395 10.365 6.517 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.134 11.716 7.337 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.820 9.724 8.342 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.240 8.967 8.325 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.573 11.438 9.317 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.211 11.298 9.924 1.00 0.00 H new ATOM 172 N LEU A 15 -4.014 10.569 6.700 1.00 0.00 N ATOM 173 CA LEU A 15 -2.782 10.068 6.115 1.00 0.00 C ATOM 174 C LEU A 15 -2.008 9.274 7.168 1.00 0.00 C ATOM 175 O LEU A 15 -2.606 8.628 8.027 1.00 0.00 O ATOM 176 CB LEU A 15 -1.979 11.213 5.495 1.00 0.00 C ATOM 177 CG LEU A 15 -2.796 12.386 4.947 1.00 0.00 C ATOM 178 CD1 LEU A 15 -2.224 13.722 5.423 1.00 0.00 C ATOM 179 CD2 LEU A 15 -2.899 12.317 3.422 1.00 0.00 C ATOM 0 H LEU A 15 -3.889 11.315 7.384 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.001 9.383 5.296 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.290 11.596 6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.373 10.808 4.685 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.809 12.311 5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.823 14.539 5.020 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.246 13.760 6.512 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.195 13.821 5.077 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.484 13.162 3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.900 12.354 2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.386 11.386 3.132 1.00 0.00 H new ATOM 191 N VAL A 16 -0.689 9.348 7.068 1.00 0.00 N ATOM 192 CA VAL A 16 0.173 8.644 8.001 1.00 0.00 C ATOM 193 C VAL A 16 0.960 9.662 8.830 1.00 0.00 C ATOM 194 O VAL A 16 1.329 10.722 8.327 1.00 0.00 O ATOM 195 CB VAL A 16 1.073 7.664 7.246 1.00 0.00 C ATOM 196 CG1 VAL A 16 2.447 8.279 6.975 1.00 0.00 C ATOM 197 CG2 VAL A 16 1.205 6.342 8.006 1.00 0.00 C ATOM 0 H VAL A 16 -0.196 9.885 6.354 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.421 8.049 8.695 1.00 0.00 H new ATOM 0 HB VAL A 16 0.604 7.452 6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.067 7.562 6.437 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.330 9.180 6.373 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.925 8.534 7.921 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.850 5.664 7.447 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.639 6.529 8.988 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.220 5.891 8.125 1.00 0.00 H new ATOM 207 N SER A 17 1.194 9.303 10.082 1.00 0.00 N ATOM 208 CA SER A 17 1.931 10.172 10.985 1.00 0.00 C ATOM 209 C SER A 17 3.423 9.838 10.931 1.00 0.00 C ATOM 210 O SER A 17 3.807 8.676 11.047 1.00 0.00 O ATOM 211 CB SER A 17 1.410 10.046 12.418 1.00 0.00 C ATOM 212 OG SER A 17 -0.010 9.938 12.462 1.00 0.00 O ATOM 0 H SER A 17 0.887 8.422 10.494 1.00 0.00 H new ATOM 0 HA SER A 17 1.784 11.203 10.663 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.855 9.170 12.890 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.726 10.914 12.996 1.00 0.00 H new ATOM 0 HG SER A 17 -0.303 9.858 13.394 1.00 0.00 H new ATOM 218 N VAL A 18 4.224 10.879 10.756 1.00 0.00 N ATOM 219 CA VAL A 18 5.665 10.711 10.685 1.00 0.00 C ATOM 220 C VAL A 18 6.136 9.876 11.877 1.00 0.00 C ATOM 221 O VAL A 18 6.830 8.875 11.703 1.00 0.00 O ATOM 222 CB VAL A 18 6.347 12.079 10.606 1.00 0.00 C ATOM 223 CG1 VAL A 18 6.307 12.790 11.959 1.00 0.00 C ATOM 224 CG2 VAL A 18 7.785 11.945 10.100 1.00 0.00 C ATOM 0 H VAL A 18 3.902 11.842 10.661 1.00 0.00 H new ATOM 0 HA VAL A 18 5.943 10.171 9.780 1.00 0.00 H new ATOM 0 HB VAL A 18 5.795 12.688 9.891 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.798 13.759 11.875 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.270 12.934 12.264 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.824 12.185 12.704 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.248 12.931 10.053 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.352 11.310 10.780 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.781 11.498 9.106 1.00 0.00 H new ATOM 234 N GLU A 19 5.739 10.317 13.062 1.00 0.00 N ATOM 235 CA GLU A 19 6.111 9.623 14.282 1.00 0.00 C ATOM 236 C GLU A 19 6.043 8.108 14.074 1.00 0.00 C ATOM 237 O GLU A 19 6.921 7.375 14.527 1.00 0.00 O ATOM 238 CB GLU A 19 5.225 10.055 15.452 1.00 0.00 C ATOM 239 CG GLU A 19 6.013 10.064 16.763 1.00 0.00 C ATOM 240 CD GLU A 19 5.227 9.376 17.881 1.00 0.00 C ATOM 241 OE1 GLU A 19 5.247 8.127 17.903 1.00 0.00 O ATOM 242 OE2 GLU A 19 4.623 10.116 18.688 1.00 0.00 O ATOM 0 H GLU A 19 5.163 11.147 13.202 1.00 0.00 H new ATOM 0 HA GLU A 19 7.138 9.891 14.529 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.822 11.049 15.259 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.376 9.378 15.539 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.968 9.558 16.621 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.236 11.092 17.050 1.00 0.00 H new ATOM 249 N ASP A 20 4.992 7.685 13.388 1.00 0.00 N ATOM 250 CA ASP A 20 4.797 6.271 13.113 1.00 0.00 C ATOM 251 C ASP A 20 5.682 5.858 11.935 1.00 0.00 C ATOM 252 O ASP A 20 6.447 4.900 12.036 1.00 0.00 O ATOM 253 CB ASP A 20 3.344 5.978 12.738 1.00 0.00 C ATOM 254 CG ASP A 20 2.438 5.591 13.909 1.00 0.00 C ATOM 255 OD1 ASP A 20 2.720 6.073 15.028 1.00 0.00 O ATOM 256 OD2 ASP A 20 1.485 4.822 13.660 1.00 0.00 O ATOM 0 H ASP A 20 4.266 8.296 13.014 1.00 0.00 H new ATOM 0 HA ASP A 20 5.056 5.714 14.013 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.926 6.859 12.251 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.330 5.171 12.005 1.00 0.00 H new ATOM 261 N LEU A 21 5.548 6.601 10.847 1.00 0.00 N ATOM 262 CA LEU A 21 6.327 6.325 9.651 1.00 0.00 C ATOM 263 C LEU A 21 7.747 5.926 10.054 1.00 0.00 C ATOM 264 O LEU A 21 8.308 4.977 9.507 1.00 0.00 O ATOM 265 CB LEU A 21 6.270 7.512 8.689 1.00 0.00 C ATOM 266 CG LEU A 21 6.736 7.238 7.257 1.00 0.00 C ATOM 267 CD1 LEU A 21 8.261 7.142 7.187 1.00 0.00 C ATOM 268 CD2 LEU A 21 6.057 5.990 6.689 1.00 0.00 C ATOM 0 H LEU A 21 4.912 7.394 10.768 1.00 0.00 H new ATOM 0 HA LEU A 21 5.902 5.483 9.105 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.243 7.876 8.652 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.879 8.317 9.100 1.00 0.00 H new ATOM 0 HG LEU A 21 6.437 8.080 6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.566 6.947 6.159 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.701 8.081 7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.604 6.330 7.828 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.405 5.818 5.671 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.304 5.128 7.308 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.977 6.134 6.683 1.00 0.00 H new ATOM 280 N LYS A 22 8.289 6.671 11.007 1.00 0.00 N ATOM 281 CA LYS A 22 9.634 6.406 11.489 1.00 0.00 C ATOM 282 C LYS A 22 9.660 5.053 12.201 1.00 0.00 C ATOM 283 O LYS A 22 10.448 4.176 11.848 1.00 0.00 O ATOM 284 CB LYS A 22 10.130 7.566 12.355 1.00 0.00 C ATOM 285 CG LYS A 22 10.503 8.774 11.493 1.00 0.00 C ATOM 286 CD LYS A 22 12.022 8.920 11.382 1.00 0.00 C ATOM 287 CE LYS A 22 12.397 9.973 10.337 1.00 0.00 C ATOM 288 NZ LYS A 22 13.372 9.421 9.370 1.00 0.00 N ATOM 0 H LYS A 22 7.821 7.457 11.458 1.00 0.00 H new ATOM 0 HA LYS A 22 10.331 6.340 10.654 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.356 7.849 13.068 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.996 7.247 12.935 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.071 8.663 10.498 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.078 9.679 11.926 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.436 9.200 12.351 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.464 7.961 11.112 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.502 10.306 9.810 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.821 10.848 10.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.290 9.929 8.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.335 9.534 9.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.176 8.411 9.218 1.00 0.00 H new ATOM 302 N ASN A 23 8.788 4.923 13.190 1.00 0.00 N ATOM 303 CA ASN A 23 8.700 3.690 13.954 1.00 0.00 C ATOM 304 C ASN A 23 8.820 2.496 13.004 1.00 0.00 C ATOM 305 O ASN A 23 9.571 1.560 13.270 1.00 0.00 O ATOM 306 CB ASN A 23 7.357 3.585 14.679 1.00 0.00 C ATOM 307 CG ASN A 23 7.536 3.012 16.086 1.00 0.00 C ATOM 308 OD1 ASN A 23 8.637 2.747 16.541 1.00 0.00 O ATOM 309 ND2 ASN A 23 6.397 2.835 16.748 1.00 0.00 N ATOM 0 H ASN A 23 8.136 5.652 13.480 1.00 0.00 H new ATOM 0 HA ASN A 23 9.506 3.690 14.688 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.895 4.570 14.740 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.680 2.950 14.107 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.411 2.457 17.695 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.509 3.078 16.309 1.00 0.00 H new ATOM 316 N PHE A 24 8.066 2.569 11.917 1.00 0.00 N ATOM 317 CA PHE A 24 8.077 1.506 10.926 1.00 0.00 C ATOM 318 C PHE A 24 9.364 1.541 10.099 1.00 0.00 C ATOM 319 O PHE A 24 9.933 0.496 9.786 1.00 0.00 O ATOM 320 CB PHE A 24 6.884 1.746 9.999 1.00 0.00 C ATOM 321 CG PHE A 24 5.536 1.349 10.605 1.00 0.00 C ATOM 322 CD1 PHE A 24 5.104 0.062 10.518 1.00 0.00 C ATOM 323 CD2 PHE A 24 4.770 2.283 11.229 1.00 0.00 C ATOM 324 CE1 PHE A 24 3.854 -0.307 11.079 1.00 0.00 C ATOM 325 CE2 PHE A 24 3.518 1.914 11.791 1.00 0.00 C ATOM 326 CZ PHE A 24 3.088 0.627 11.704 1.00 0.00 C ATOM 0 H PHE A 24 7.444 3.348 11.701 1.00 0.00 H new ATOM 0 HA PHE A 24 8.020 0.536 11.420 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.853 2.802 9.729 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.035 1.186 9.076 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.713 -0.679 10.022 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.113 3.305 11.298 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.511 -1.329 11.010 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.909 2.655 12.287 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.137 0.346 12.132 1.00 0.00 H new ATOM 336 N GLU A 25 9.787 2.753 9.771 1.00 0.00 N ATOM 337 CA GLU A 25 10.997 2.938 8.988 1.00 0.00 C ATOM 338 C GLU A 25 12.164 2.187 9.631 1.00 0.00 C ATOM 339 O GLU A 25 12.812 1.365 8.981 1.00 0.00 O ATOM 340 CB GLU A 25 11.323 4.423 8.824 1.00 0.00 C ATOM 341 CG GLU A 25 12.070 4.679 7.514 1.00 0.00 C ATOM 342 CD GLU A 25 12.755 6.047 7.532 1.00 0.00 C ATOM 343 OE1 GLU A 25 13.198 6.446 8.631 1.00 0.00 O ATOM 344 OE2 GLU A 25 12.820 6.664 6.446 1.00 0.00 O ATOM 0 H GLU A 25 9.313 3.617 10.033 1.00 0.00 H new ATOM 0 HA GLU A 25 10.829 2.526 7.993 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.402 5.005 8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.929 4.761 9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.814 3.898 7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.373 4.628 6.678 1.00 0.00 H new ATOM 351 N ARG A 26 12.399 2.494 10.897 1.00 0.00 N ATOM 352 CA ARG A 26 13.478 1.859 11.635 1.00 0.00 C ATOM 353 C ARG A 26 13.408 0.339 11.474 1.00 0.00 C ATOM 354 O ARG A 26 14.350 -0.281 10.983 1.00 0.00 O ATOM 355 CB ARG A 26 13.411 2.211 13.121 1.00 0.00 C ATOM 356 CG ARG A 26 13.281 3.722 13.322 1.00 0.00 C ATOM 357 CD ARG A 26 13.557 4.109 14.776 1.00 0.00 C ATOM 358 NE ARG A 26 14.419 5.310 14.827 1.00 0.00 N ATOM 359 CZ ARG A 26 14.856 5.874 15.961 1.00 0.00 C ATOM 360 NH1 ARG A 26 14.514 5.350 17.145 1.00 0.00 N ATOM 361 NH2 ARG A 26 15.636 6.963 15.910 1.00 0.00 N ATOM 0 H ARG A 26 11.860 3.175 11.432 1.00 0.00 H new ATOM 0 HA ARG A 26 14.420 2.228 11.229 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.562 1.705 13.580 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.308 1.849 13.625 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.979 4.241 12.665 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.279 4.045 13.040 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.618 4.304 15.293 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.041 3.282 15.295 1.00 0.00 H new ATOM 0 HE ARG A 26 14.698 5.736 13.943 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.921 4.521 17.184 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.847 5.780 18.008 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.897 7.362 15.008 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.969 7.393 16.773 1.00 0.00 H new ATOM 375 N LYS A 27 12.282 -0.217 11.897 1.00 0.00 N ATOM 376 CA LYS A 27 12.076 -1.653 11.805 1.00 0.00 C ATOM 377 C LYS A 27 12.555 -2.147 10.439 1.00 0.00 C ATOM 378 O LYS A 27 13.313 -3.111 10.354 1.00 0.00 O ATOM 379 CB LYS A 27 10.619 -2.005 12.111 1.00 0.00 C ATOM 380 CG LYS A 27 10.533 -3.158 13.115 1.00 0.00 C ATOM 381 CD LYS A 27 9.527 -2.845 14.224 1.00 0.00 C ATOM 382 CE LYS A 27 10.217 -2.789 15.589 1.00 0.00 C ATOM 383 NZ LYS A 27 10.400 -4.153 16.133 1.00 0.00 N ATOM 0 H LYS A 27 11.503 0.301 12.304 1.00 0.00 H new ATOM 0 HA LYS A 27 12.670 -2.172 12.557 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.106 -1.130 12.511 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.106 -2.281 11.190 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.239 -4.072 12.600 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.515 -3.340 13.551 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.039 -1.892 14.019 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.747 -3.606 14.238 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.185 -2.296 15.494 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.622 -2.192 16.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.869 -4.097 17.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.472 -4.611 16.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.987 -4.711 15.481 1.00 0.00 H new ATOM 397 N PHE A 28 12.091 -1.463 9.402 1.00 0.00 N ATOM 398 CA PHE A 28 12.462 -1.819 8.044 1.00 0.00 C ATOM 399 C PHE A 28 13.967 -1.650 7.824 1.00 0.00 C ATOM 400 O PHE A 28 14.664 -2.613 7.504 1.00 0.00 O ATOM 401 CB PHE A 28 11.713 -0.868 7.110 1.00 0.00 C ATOM 402 CG PHE A 28 11.741 -1.287 5.639 1.00 0.00 C ATOM 403 CD1 PHE A 28 10.838 -2.190 5.172 1.00 0.00 C ATOM 404 CD2 PHE A 28 12.671 -0.757 4.799 1.00 0.00 C ATOM 405 CE1 PHE A 28 10.866 -2.580 3.806 1.00 0.00 C ATOM 406 CE2 PHE A 28 12.698 -1.146 3.434 1.00 0.00 C ATOM 407 CZ PHE A 28 11.794 -2.049 2.966 1.00 0.00 C ATOM 0 H PHE A 28 11.461 -0.664 9.476 1.00 0.00 H new ATOM 0 HA PHE A 28 12.208 -2.861 7.851 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.676 -0.797 7.437 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.145 0.129 7.201 1.00 0.00 H new ATOM 0 HD1 PHE A 28 10.100 -2.611 5.839 1.00 0.00 H new ATOM 0 HD2 PHE A 28 13.389 -0.040 5.171 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.150 -3.298 3.435 1.00 0.00 H new ATOM 0 HE2 PHE A 28 13.436 -0.725 2.767 1.00 0.00 H new ATOM 0 HZ PHE A 28 11.814 -2.344 1.927 1.00 0.00 H new ATOM 417 N GLN A 29 14.424 -0.420 8.004 1.00 0.00 N ATOM 418 CA GLN A 29 15.834 -0.113 7.830 1.00 0.00 C ATOM 419 C GLN A 29 16.698 -1.195 8.480 1.00 0.00 C ATOM 420 O GLN A 29 17.473 -1.866 7.800 1.00 0.00 O ATOM 421 CB GLN A 29 16.167 1.269 8.397 1.00 0.00 C ATOM 422 CG GLN A 29 15.528 2.376 7.556 1.00 0.00 C ATOM 423 CD GLN A 29 16.090 3.748 7.936 1.00 0.00 C ATOM 424 OE1 GLN A 29 17.253 4.051 7.725 1.00 0.00 O ATOM 425 NE2 GLN A 29 15.202 4.556 8.507 1.00 0.00 N ATOM 0 H GLN A 29 13.843 0.376 8.268 1.00 0.00 H new ATOM 0 HA GLN A 29 16.053 -0.095 6.762 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.813 1.339 9.426 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.248 1.405 8.422 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.710 2.185 6.498 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.448 2.369 7.700 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.244 4.238 8.654 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.479 5.494 8.798 1.00 0.00 H new ATOM 434 N SER A 30 16.535 -1.331 9.788 1.00 0.00 N ATOM 435 CA SER A 30 17.291 -2.321 10.536 1.00 0.00 C ATOM 436 C SER A 30 17.241 -3.671 9.818 1.00 0.00 C ATOM 437 O SER A 30 18.248 -4.129 9.282 1.00 0.00 O ATOM 438 CB SER A 30 16.756 -2.459 11.963 1.00 0.00 C ATOM 439 OG SER A 30 17.795 -2.727 12.900 1.00 0.00 O ATOM 0 H SER A 30 15.891 -0.773 10.348 1.00 0.00 H new ATOM 0 HA SER A 30 18.327 -1.987 10.595 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.240 -1.542 12.247 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.020 -3.263 11.998 1.00 0.00 H new ATOM 0 HG SER A 30 17.413 -2.806 13.799 1.00 0.00 H new ATOM 445 N GLU A 31 16.059 -4.269 9.831 1.00 0.00 N ATOM 446 CA GLU A 31 15.865 -5.557 9.188 1.00 0.00 C ATOM 447 C GLU A 31 16.508 -5.560 7.800 1.00 0.00 C ATOM 448 O GLU A 31 16.880 -6.612 7.286 1.00 0.00 O ATOM 449 CB GLU A 31 14.379 -5.910 9.105 1.00 0.00 C ATOM 450 CG GLU A 31 13.764 -6.028 10.501 1.00 0.00 C ATOM 451 CD GLU A 31 12.265 -5.728 10.467 1.00 0.00 C ATOM 452 OE1 GLU A 31 11.740 -5.583 9.341 1.00 0.00 O ATOM 453 OE2 GLU A 31 11.677 -5.649 11.568 1.00 0.00 O ATOM 0 H GLU A 31 15.226 -3.885 10.277 1.00 0.00 H new ATOM 0 HA GLU A 31 16.353 -6.321 9.794 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.851 -5.145 8.535 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.255 -6.851 8.568 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.929 -7.032 10.891 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.261 -5.337 11.181 1.00 0.00 H new ATOM 460 N GLN A 32 16.620 -4.367 7.233 1.00 0.00 N ATOM 461 CA GLN A 32 17.211 -4.218 5.913 1.00 0.00 C ATOM 462 C GLN A 32 18.694 -4.593 5.952 1.00 0.00 C ATOM 463 O GLN A 32 19.115 -5.540 5.289 1.00 0.00 O ATOM 464 CB GLN A 32 17.019 -2.795 5.384 1.00 0.00 C ATOM 465 CG GLN A 32 16.827 -2.796 3.866 1.00 0.00 C ATOM 466 CD GLN A 32 16.488 -1.394 3.355 1.00 0.00 C ATOM 467 OE1 GLN A 32 15.645 -0.696 3.894 1.00 0.00 O ATOM 468 NE2 GLN A 32 17.191 -1.023 2.288 1.00 0.00 N ATOM 0 H GLN A 32 16.312 -3.495 7.663 1.00 0.00 H new ATOM 0 HA GLN A 32 16.702 -4.896 5.228 1.00 0.00 H new ATOM 0 HB2 GLN A 32 16.153 -2.339 5.863 1.00 0.00 H new ATOM 0 HB3 GLN A 32 17.885 -2.186 5.644 1.00 0.00 H new ATOM 0 HG2 GLN A 32 17.735 -3.154 3.381 1.00 0.00 H new ATOM 0 HG3 GLN A 32 16.029 -3.488 3.597 1.00 0.00 H new ATOM 0 HE21 GLN A 32 17.882 -1.657 1.887 1.00 0.00 H new ATOM 0 HE22 GLN A 32 17.039 -0.104 1.871 1.00 0.00 H new ATOM 477 N ALA A 33 19.445 -3.831 6.733 1.00 0.00 N ATOM 478 CA ALA A 33 20.871 -4.072 6.866 1.00 0.00 C ATOM 479 C ALA A 33 21.094 -5.382 7.622 1.00 0.00 C ATOM 480 O ALA A 33 22.217 -5.883 7.686 1.00 0.00 O ATOM 481 CB ALA A 33 21.528 -2.878 7.562 1.00 0.00 C ATOM 0 H ALA A 33 19.092 -3.046 7.280 1.00 0.00 H new ATOM 0 HA ALA A 33 21.336 -4.174 5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 33 22.598 -3.059 7.662 1.00 0.00 H new ATOM 0 HB2 ALA A 33 21.366 -1.977 6.970 1.00 0.00 H new ATOM 0 HB3 ALA A 33 21.089 -2.746 8.551 1.00 0.00 H new ATOM 487 N ALA A 34 20.009 -5.902 8.176 1.00 0.00 N ATOM 488 CA ALA A 34 20.072 -7.145 8.925 1.00 0.00 C ATOM 489 C ALA A 34 20.243 -8.314 7.953 1.00 0.00 C ATOM 490 O ALA A 34 20.804 -9.349 8.312 1.00 0.00 O ATOM 491 CB ALA A 34 18.817 -7.285 9.790 1.00 0.00 C ATOM 0 H ALA A 34 19.080 -5.484 8.121 1.00 0.00 H new ATOM 0 HA ALA A 34 20.932 -7.145 9.595 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.865 -8.218 10.352 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.758 -6.446 10.484 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.934 -7.291 9.151 1.00 0.00 H new ATOM 497 N GLY A 35 19.751 -8.109 6.740 1.00 0.00 N ATOM 498 CA GLY A 35 19.842 -9.132 5.712 1.00 0.00 C ATOM 499 C GLY A 35 18.662 -9.042 4.742 1.00 0.00 C ATOM 500 O GLY A 35 18.823 -9.261 3.542 1.00 0.00 O ATOM 0 H GLY A 35 19.288 -7.249 6.446 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.777 -9.019 5.164 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.861 -10.118 6.176 1.00 0.00 H new ATOM 504 N SER A 36 17.503 -8.721 5.298 1.00 0.00 N ATOM 505 CA SER A 36 16.297 -8.599 4.497 1.00 0.00 C ATOM 506 C SER A 36 15.112 -8.223 5.389 1.00 0.00 C ATOM 507 O SER A 36 14.906 -8.828 6.440 1.00 0.00 O ATOM 508 CB SER A 36 16.003 -9.898 3.743 1.00 0.00 C ATOM 509 OG SER A 36 15.888 -11.012 4.624 1.00 0.00 O ATOM 0 H SER A 36 17.374 -8.542 6.294 1.00 0.00 H new ATOM 0 HA SER A 36 16.454 -7.811 3.761 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.079 -9.787 3.176 1.00 0.00 H new ATOM 0 HB3 SER A 36 16.798 -10.087 3.022 1.00 0.00 H new ATOM 0 HG SER A 36 15.470 -10.724 5.462 1.00 0.00 H new ATOM 515 N VAL A 37 14.365 -7.227 4.936 1.00 0.00 N ATOM 516 CA VAL A 37 13.207 -6.763 5.680 1.00 0.00 C ATOM 517 C VAL A 37 12.103 -7.819 5.606 1.00 0.00 C ATOM 518 O VAL A 37 11.818 -8.351 4.535 1.00 0.00 O ATOM 519 CB VAL A 37 12.762 -5.395 5.157 1.00 0.00 C ATOM 520 CG1 VAL A 37 11.399 -5.005 5.733 1.00 0.00 C ATOM 521 CG2 VAL A 37 13.812 -4.325 5.459 1.00 0.00 C ATOM 0 H VAL A 37 14.539 -6.729 4.063 1.00 0.00 H new ATOM 0 HA VAL A 37 13.458 -6.628 6.732 1.00 0.00 H new ATOM 0 HB VAL A 37 12.660 -5.467 4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.106 -4.029 5.346 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.656 -5.748 5.444 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.463 -4.959 6.820 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.471 -3.363 5.077 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.961 -4.255 6.537 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.753 -4.593 4.979 1.00 0.00 H new ATOM 531 N SER A 38 11.509 -8.091 6.760 1.00 0.00 N ATOM 532 CA SER A 38 10.443 -9.074 6.840 1.00 0.00 C ATOM 533 C SER A 38 9.197 -8.555 6.120 1.00 0.00 C ATOM 534 O SER A 38 8.998 -7.345 6.010 1.00 0.00 O ATOM 535 CB SER A 38 10.113 -9.411 8.295 1.00 0.00 C ATOM 536 OG SER A 38 11.281 -9.724 9.049 1.00 0.00 O ATOM 0 H SER A 38 11.747 -7.647 7.647 1.00 0.00 H new ATOM 0 HA SER A 38 10.783 -9.987 6.352 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.600 -8.567 8.755 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.425 -10.256 8.324 1.00 0.00 H new ATOM 0 HG SER A 38 11.028 -9.932 9.973 1.00 0.00 H new ATOM 542 N LYS A 39 8.390 -9.494 5.647 1.00 0.00 N ATOM 543 CA LYS A 39 7.170 -9.146 4.941 1.00 0.00 C ATOM 544 C LYS A 39 6.366 -8.149 5.780 1.00 0.00 C ATOM 545 O LYS A 39 6.086 -7.039 5.330 1.00 0.00 O ATOM 546 CB LYS A 39 6.388 -10.407 4.568 1.00 0.00 C ATOM 547 CG LYS A 39 7.241 -11.349 3.716 1.00 0.00 C ATOM 548 CD LYS A 39 6.402 -12.510 3.178 1.00 0.00 C ATOM 549 CE LYS A 39 7.262 -13.761 2.983 1.00 0.00 C ATOM 550 NZ LYS A 39 7.654 -14.330 4.291 1.00 0.00 N ATOM 0 H LYS A 39 8.558 -10.496 5.739 1.00 0.00 H new ATOM 0 HA LYS A 39 7.404 -8.653 3.997 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.066 -10.921 5.474 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.487 -10.132 4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.680 -10.797 2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.067 -11.738 4.312 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.588 -12.727 3.870 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.946 -12.226 2.230 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.709 -14.504 2.408 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.153 -13.511 2.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.866 -15.342 4.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.498 -13.836 4.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.874 -14.212 4.969 1.00 0.00 H new ATOM 564 N SER A 40 6.020 -8.581 6.982 1.00 0.00 N ATOM 565 CA SER A 40 5.254 -7.742 7.888 1.00 0.00 C ATOM 566 C SER A 40 5.750 -6.297 7.806 1.00 0.00 C ATOM 567 O SER A 40 5.039 -5.418 7.321 1.00 0.00 O ATOM 568 CB SER A 40 5.348 -8.254 9.327 1.00 0.00 C ATOM 569 OG SER A 40 4.062 -8.415 9.921 1.00 0.00 O ATOM 0 H SER A 40 6.256 -9.502 7.351 1.00 0.00 H new ATOM 0 HA SER A 40 4.207 -7.779 7.586 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.875 -9.208 9.339 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.938 -7.557 9.922 1.00 0.00 H new ATOM 0 HG SER A 40 4.164 -8.745 10.838 1.00 0.00 H new ATOM 575 N THR A 41 6.967 -6.094 8.289 1.00 0.00 N ATOM 576 CA THR A 41 7.567 -4.771 8.277 1.00 0.00 C ATOM 577 C THR A 41 7.346 -4.098 6.921 1.00 0.00 C ATOM 578 O THR A 41 6.926 -2.943 6.858 1.00 0.00 O ATOM 579 CB THR A 41 9.044 -4.918 8.649 1.00 0.00 C ATOM 580 OG1 THR A 41 9.023 -5.651 9.870 1.00 0.00 O ATOM 581 CG2 THR A 41 9.687 -3.582 9.027 1.00 0.00 C ATOM 0 H THR A 41 7.554 -6.825 8.691 1.00 0.00 H new ATOM 0 HA THR A 41 7.096 -4.116 9.010 1.00 0.00 H new ATOM 0 HB THR A 41 9.587 -5.359 7.813 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.446 -5.121 10.577 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.735 -3.742 9.282 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.620 -2.894 8.184 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.165 -3.157 9.884 1.00 0.00 H new ATOM 589 N GLN A 42 7.639 -4.849 5.869 1.00 0.00 N ATOM 590 CA GLN A 42 7.477 -4.339 4.518 1.00 0.00 C ATOM 591 C GLN A 42 6.046 -3.841 4.306 1.00 0.00 C ATOM 592 O GLN A 42 5.821 -2.646 4.122 1.00 0.00 O ATOM 593 CB GLN A 42 7.846 -5.403 3.482 1.00 0.00 C ATOM 594 CG GLN A 42 7.980 -4.789 2.088 1.00 0.00 C ATOM 595 CD GLN A 42 8.866 -5.656 1.190 1.00 0.00 C ATOM 596 OE1 GLN A 42 9.803 -6.299 1.632 1.00 0.00 O ATOM 597 NE2 GLN A 42 8.516 -5.637 -0.094 1.00 0.00 N ATOM 0 H GLN A 42 7.987 -5.806 5.925 1.00 0.00 H new ATOM 0 HA GLN A 42 8.157 -3.498 4.385 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.784 -5.880 3.764 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.084 -6.182 3.468 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.993 -4.682 1.637 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.405 -3.788 2.167 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.720 -5.076 -0.397 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.044 -6.183 -0.775 1.00 0.00 H new ATOM 606 N PHE A 43 5.114 -4.783 4.338 1.00 0.00 N ATOM 607 CA PHE A 43 3.712 -4.455 4.152 1.00 0.00 C ATOM 608 C PHE A 43 3.278 -3.340 5.106 1.00 0.00 C ATOM 609 O PHE A 43 2.437 -2.513 4.758 1.00 0.00 O ATOM 610 CB PHE A 43 2.911 -5.721 4.468 1.00 0.00 C ATOM 611 CG PHE A 43 1.461 -5.453 4.878 1.00 0.00 C ATOM 612 CD1 PHE A 43 0.528 -5.171 3.930 1.00 0.00 C ATOM 613 CD2 PHE A 43 1.106 -5.498 6.190 1.00 0.00 C ATOM 614 CE1 PHE A 43 -0.818 -4.923 4.310 1.00 0.00 C ATOM 615 CE2 PHE A 43 -0.240 -5.250 6.570 1.00 0.00 C ATOM 616 CZ PHE A 43 -1.174 -4.968 5.622 1.00 0.00 C ATOM 0 H PHE A 43 5.304 -5.774 4.490 1.00 0.00 H new ATOM 0 HA PHE A 43 3.543 -4.110 3.132 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.916 -6.370 3.592 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.410 -6.264 5.270 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.810 -5.136 2.888 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.847 -5.722 6.943 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.559 -4.699 3.557 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.522 -5.285 7.612 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.198 -4.780 5.911 1.00 0.00 H new ATOM 626 N GLU A 44 3.871 -3.355 6.290 1.00 0.00 N ATOM 627 CA GLU A 44 3.556 -2.355 7.296 1.00 0.00 C ATOM 628 C GLU A 44 4.061 -0.979 6.855 1.00 0.00 C ATOM 629 O GLU A 44 3.282 -0.148 6.392 1.00 0.00 O ATOM 630 CB GLU A 44 4.141 -2.742 8.656 1.00 0.00 C ATOM 631 CG GLU A 44 3.212 -3.705 9.399 1.00 0.00 C ATOM 632 CD GLU A 44 3.535 -3.737 10.893 1.00 0.00 C ATOM 633 OE1 GLU A 44 4.737 -3.611 11.217 1.00 0.00 O ATOM 634 OE2 GLU A 44 2.575 -3.885 11.679 1.00 0.00 O ATOM 0 H GLU A 44 4.568 -4.043 6.576 1.00 0.00 H new ATOM 0 HA GLU A 44 2.472 -2.306 7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.117 -3.207 8.517 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.298 -1.846 9.257 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.176 -3.400 9.254 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.311 -4.707 8.981 1.00 0.00 H new ATOM 641 N TYR A 45 5.362 -0.783 7.013 1.00 0.00 N ATOM 642 CA TYR A 45 5.979 0.477 6.636 1.00 0.00 C ATOM 643 C TYR A 45 5.414 0.990 5.311 1.00 0.00 C ATOM 644 O TYR A 45 5.095 2.172 5.183 1.00 0.00 O ATOM 645 CB TYR A 45 7.470 0.180 6.460 1.00 0.00 C ATOM 646 CG TYR A 45 8.282 1.362 5.927 1.00 0.00 C ATOM 647 CD1 TYR A 45 8.341 2.538 6.647 1.00 0.00 C ATOM 648 CD2 TYR A 45 8.955 1.253 4.727 1.00 0.00 C ATOM 649 CE1 TYR A 45 9.105 3.651 6.145 1.00 0.00 C ATOM 650 CE2 TYR A 45 9.719 2.366 4.226 1.00 0.00 C ATOM 651 CZ TYR A 45 9.756 3.511 4.960 1.00 0.00 C ATOM 652 OH TYR A 45 10.477 4.561 4.487 1.00 0.00 O ATOM 0 H TYR A 45 6.005 -1.475 7.397 1.00 0.00 H new ATOM 0 HA TYR A 45 5.790 1.238 7.393 1.00 0.00 H new ATOM 0 HB2 TYR A 45 7.884 -0.128 7.420 1.00 0.00 H new ATOM 0 HB3 TYR A 45 7.584 -0.663 5.778 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.815 2.624 7.586 1.00 0.00 H new ATOM 0 HD2 TYR A 45 8.909 0.333 4.164 1.00 0.00 H new ATOM 0 HE1 TYR A 45 9.159 4.577 6.698 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.251 2.294 3.289 1.00 0.00 H new ATOM 0 HH TYR A 45 11.433 4.352 4.540 1.00 0.00 H new ATOM 662 N ALA A 46 5.306 0.077 4.357 1.00 0.00 N ATOM 663 CA ALA A 46 4.785 0.422 3.045 1.00 0.00 C ATOM 664 C ALA A 46 3.383 1.017 3.199 1.00 0.00 C ATOM 665 O ALA A 46 3.127 2.135 2.753 1.00 0.00 O ATOM 666 CB ALA A 46 4.796 -0.818 2.148 1.00 0.00 C ATOM 0 H ALA A 46 5.571 -0.902 4.467 1.00 0.00 H new ATOM 0 HA ALA A 46 5.413 1.174 2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.405 -0.559 1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.817 -1.185 2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.173 -1.594 2.593 1.00 0.00 H new ATOM 672 N TRP A 47 2.513 0.244 3.831 1.00 0.00 N ATOM 673 CA TRP A 47 1.145 0.681 4.049 1.00 0.00 C ATOM 674 C TRP A 47 1.188 2.051 4.728 1.00 0.00 C ATOM 675 O TRP A 47 0.288 2.870 4.542 1.00 0.00 O ATOM 676 CB TRP A 47 0.358 -0.358 4.850 1.00 0.00 C ATOM 677 CG TRP A 47 -1.006 0.133 5.338 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.479 0.147 6.591 1.00 0.00 C ATOM 679 CD2 TRP A 47 -2.063 0.684 4.523 1.00 0.00 C ATOM 680 NE1 TRP A 47 -2.757 0.665 6.644 1.00 0.00 N ATOM 681 CE2 TRP A 47 -3.123 1.003 5.346 1.00 0.00 C ATOM 682 CE3 TRP A 47 -2.119 0.908 3.135 1.00 0.00 C ATOM 683 CZ2 TRP A 47 -4.317 1.562 4.876 1.00 0.00 C ATOM 684 CZ3 TRP A 47 -3.319 1.467 2.682 1.00 0.00 C ATOM 685 CH2 TRP A 47 -4.397 1.793 3.498 1.00 0.00 C ATOM 0 H TRP A 47 2.729 -0.682 4.199 1.00 0.00 H new ATOM 0 HA TRP A 47 0.617 0.779 3.101 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.214 -1.244 4.232 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.952 -0.663 5.711 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -0.929 -0.203 7.452 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.328 0.779 7.481 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.301 0.668 2.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.133 1.802 5.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.415 1.659 1.624 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.291 2.222 3.071 1.00 0.00 H new ATOM 696 N CYS A 48 2.243 2.259 5.502 1.00 0.00 N ATOM 697 CA CYS A 48 2.416 3.516 6.210 1.00 0.00 C ATOM 698 C CYS A 48 2.716 4.610 5.182 1.00 0.00 C ATOM 699 O CYS A 48 2.299 5.755 5.349 1.00 0.00 O ATOM 700 CB CYS A 48 3.509 3.420 7.275 1.00 0.00 C ATOM 701 SG CYS A 48 2.758 3.398 8.943 1.00 0.00 S ATOM 0 H CYS A 48 2.987 1.578 5.654 1.00 0.00 H new ATOM 0 HA CYS A 48 1.499 3.763 6.745 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.100 2.517 7.121 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.191 4.266 7.185 1.00 0.00 H new ATOM 0 HG CYS A 48 3.420 2.580 9.706 1.00 0.00 H new ATOM 707 N LEU A 49 3.435 4.217 4.141 1.00 0.00 N ATOM 708 CA LEU A 49 3.795 5.149 3.085 1.00 0.00 C ATOM 709 C LEU A 49 2.533 5.575 2.334 1.00 0.00 C ATOM 710 O LEU A 49 2.160 6.747 2.355 1.00 0.00 O ATOM 711 CB LEU A 49 4.874 4.546 2.184 1.00 0.00 C ATOM 712 CG LEU A 49 6.292 4.522 2.756 1.00 0.00 C ATOM 713 CD1 LEU A 49 7.208 3.629 1.917 1.00 0.00 C ATOM 714 CD2 LEU A 49 6.849 5.939 2.901 1.00 0.00 C ATOM 0 H LEU A 49 3.778 3.266 4.006 1.00 0.00 H new ATOM 0 HA LEU A 49 4.234 6.053 3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.585 3.524 1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.891 5.105 1.248 1.00 0.00 H new ATOM 0 HG LEU A 49 6.249 4.089 3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.210 3.630 2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.817 2.611 1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.250 4.008 0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.858 5.893 3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.875 6.422 1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.211 6.514 3.573 1.00 0.00 H new ATOM 726 N VAL A 50 1.909 4.600 1.690 1.00 0.00 N ATOM 727 CA VAL A 50 0.696 4.860 0.934 1.00 0.00 C ATOM 728 C VAL A 50 -0.252 5.717 1.776 1.00 0.00 C ATOM 729 O VAL A 50 -1.076 6.452 1.235 1.00 0.00 O ATOM 730 CB VAL A 50 0.066 3.539 0.485 1.00 0.00 C ATOM 731 CG1 VAL A 50 0.871 2.907 -0.652 1.00 0.00 C ATOM 732 CG2 VAL A 50 -0.075 2.571 1.661 1.00 0.00 C ATOM 0 H VAL A 50 2.221 3.629 1.676 1.00 0.00 H new ATOM 0 HA VAL A 50 0.924 5.422 0.028 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.934 3.755 0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.402 1.970 -0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.897 3.589 -1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.888 2.712 -0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.525 1.641 1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.909 2.363 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.710 3.018 2.426 1.00 0.00 H new ATOM 742 N ARG A 51 -0.102 5.595 3.086 1.00 0.00 N ATOM 743 CA ARG A 51 -0.933 6.350 4.008 1.00 0.00 C ATOM 744 C ARG A 51 -0.485 7.812 4.052 1.00 0.00 C ATOM 745 O ARG A 51 -1.314 8.719 4.108 1.00 0.00 O ATOM 746 CB ARG A 51 -0.866 5.761 5.420 1.00 0.00 C ATOM 747 CG ARG A 51 -1.802 4.560 5.557 1.00 0.00 C ATOM 748 CD ARG A 51 -1.551 3.817 6.871 1.00 0.00 C ATOM 749 NE ARG A 51 -1.926 4.675 8.017 1.00 0.00 N ATOM 750 CZ ARG A 51 -1.933 4.264 9.291 1.00 0.00 C ATOM 751 NH1 ARG A 51 -1.585 3.006 9.593 1.00 0.00 N ATOM 752 NH2 ARG A 51 -2.288 5.112 10.267 1.00 0.00 N ATOM 0 H ARG A 51 0.583 4.984 3.531 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.961 6.292 3.650 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.157 5.457 5.643 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.138 6.524 6.150 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.838 4.895 5.517 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.654 3.881 4.717 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.130 2.894 6.893 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.500 3.536 6.945 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.196 5.640 7.824 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.314 2.360 8.852 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.591 2.694 10.564 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.553 6.070 10.039 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.293 4.799 11.238 1.00 0.00 H new ATOM 766 N SER A 52 0.827 7.998 4.024 1.00 0.00 N ATOM 767 CA SER A 52 1.396 9.334 4.058 1.00 0.00 C ATOM 768 C SER A 52 0.671 10.238 3.059 1.00 0.00 C ATOM 769 O SER A 52 -0.175 9.772 2.296 1.00 0.00 O ATOM 770 CB SER A 52 2.895 9.303 3.755 1.00 0.00 C ATOM 771 OG SER A 52 3.509 10.571 3.968 1.00 0.00 O ATOM 0 H SER A 52 1.513 7.244 3.978 1.00 0.00 H new ATOM 0 HA SER A 52 1.265 9.735 5.063 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.377 8.556 4.386 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.050 8.994 2.721 1.00 0.00 H new ATOM 0 HG SER A 52 4.466 10.509 3.765 1.00 0.00 H new ATOM 777 N LYS A 53 1.028 11.513 3.096 1.00 0.00 N ATOM 778 CA LYS A 53 0.422 12.485 2.203 1.00 0.00 C ATOM 779 C LYS A 53 1.294 12.640 0.956 1.00 0.00 C ATOM 780 O LYS A 53 0.801 13.005 -0.110 1.00 0.00 O ATOM 781 CB LYS A 53 0.164 13.802 2.940 1.00 0.00 C ATOM 782 CG LYS A 53 1.476 14.434 3.409 1.00 0.00 C ATOM 783 CD LYS A 53 1.817 15.670 2.576 1.00 0.00 C ATOM 784 CE LYS A 53 2.233 16.838 3.473 1.00 0.00 C ATOM 785 NZ LYS A 53 2.040 18.126 2.771 1.00 0.00 N ATOM 0 H LYS A 53 1.729 11.895 3.730 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.555 12.136 1.868 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.362 14.494 2.282 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.484 13.622 3.798 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.395 14.710 4.460 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.283 13.705 3.332 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.624 15.434 1.882 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.954 15.958 1.975 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.646 16.826 4.391 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.278 16.728 3.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.327 18.907 3.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.619 18.141 1.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.037 18.236 2.517 1.00 0.00 H new ATOM 799 N TYR A 54 2.576 12.354 1.131 1.00 0.00 N ATOM 800 CA TYR A 54 3.522 12.456 0.033 1.00 0.00 C ATOM 801 C TYR A 54 3.184 11.458 -1.077 1.00 0.00 C ATOM 802 O TYR A 54 2.852 10.306 -0.801 1.00 0.00 O ATOM 803 CB TYR A 54 4.890 12.103 0.620 1.00 0.00 C ATOM 804 CG TYR A 54 5.648 13.301 1.195 1.00 0.00 C ATOM 805 CD1 TYR A 54 5.011 14.173 2.055 1.00 0.00 C ATOM 806 CD2 TYR A 54 6.968 13.510 0.854 1.00 0.00 C ATOM 807 CE1 TYR A 54 5.725 15.301 2.596 1.00 0.00 C ATOM 808 CE2 TYR A 54 7.682 14.638 1.395 1.00 0.00 C ATOM 809 CZ TYR A 54 7.025 15.477 2.239 1.00 0.00 C ATOM 810 OH TYR A 54 7.700 16.542 2.750 1.00 0.00 O ATOM 0 H TYR A 54 2.982 12.052 2.017 1.00 0.00 H new ATOM 0 HA TYR A 54 3.499 13.455 -0.401 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.756 11.360 1.406 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.499 11.640 -0.157 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.977 14.009 2.322 1.00 0.00 H new ATOM 0 HD2 TYR A 54 7.466 12.828 0.181 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.239 15.991 3.270 1.00 0.00 H new ATOM 0 HE2 TYR A 54 8.716 14.813 1.136 1.00 0.00 H new ATOM 0 HH TYR A 54 8.619 16.541 2.409 1.00 0.00 H new ATOM 820 N ASN A 55 3.279 11.937 -2.309 1.00 0.00 N ATOM 821 CA ASN A 55 2.987 11.102 -3.462 1.00 0.00 C ATOM 822 C ASN A 55 4.149 10.132 -3.689 1.00 0.00 C ATOM 823 O ASN A 55 3.933 8.963 -4.008 1.00 0.00 O ATOM 824 CB ASN A 55 2.821 11.946 -4.726 1.00 0.00 C ATOM 825 CG ASN A 55 1.531 12.768 -4.671 1.00 0.00 C ATOM 826 OD1 ASN A 55 1.387 13.694 -3.890 1.00 0.00 O ATOM 827 ND2 ASN A 55 0.604 12.379 -5.541 1.00 0.00 N ATOM 0 H ASN A 55 3.554 12.893 -2.534 1.00 0.00 H new ATOM 0 HA ASN A 55 2.059 10.565 -3.264 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.676 12.612 -4.838 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.806 11.297 -5.602 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.292 12.864 -5.582 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.789 11.595 -6.167 1.00 0.00 H new ATOM 834 N GLU A 56 5.355 10.653 -3.519 1.00 0.00 N ATOM 835 CA GLU A 56 6.550 9.848 -3.702 1.00 0.00 C ATOM 836 C GLU A 56 6.533 8.649 -2.752 1.00 0.00 C ATOM 837 O GLU A 56 6.891 7.538 -3.142 1.00 0.00 O ATOM 838 CB GLU A 56 7.813 10.688 -3.503 1.00 0.00 C ATOM 839 CG GLU A 56 8.026 11.646 -4.676 1.00 0.00 C ATOM 840 CD GLU A 56 9.348 11.355 -5.389 1.00 0.00 C ATOM 841 OE1 GLU A 56 10.398 11.541 -4.737 1.00 0.00 O ATOM 842 OE2 GLU A 56 9.279 10.951 -6.570 1.00 0.00 O ATOM 0 H GLU A 56 5.530 11.623 -3.256 1.00 0.00 H new ATOM 0 HA GLU A 56 6.560 9.475 -4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.734 11.255 -2.576 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.678 10.032 -3.403 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.200 11.552 -5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.022 12.675 -4.315 1.00 0.00 H new ATOM 849 N ASP A 57 6.115 8.913 -1.523 1.00 0.00 N ATOM 850 CA ASP A 57 6.047 7.870 -0.515 1.00 0.00 C ATOM 851 C ASP A 57 5.079 6.780 -0.979 1.00 0.00 C ATOM 852 O ASP A 57 5.371 5.591 -0.855 1.00 0.00 O ATOM 853 CB ASP A 57 5.533 8.422 0.816 1.00 0.00 C ATOM 854 CG ASP A 57 6.562 9.213 1.628 1.00 0.00 C ATOM 855 OD1 ASP A 57 7.200 10.103 1.025 1.00 0.00 O ATOM 856 OD2 ASP A 57 6.688 8.909 2.834 1.00 0.00 O ATOM 0 H ASP A 57 5.820 9.835 -1.203 1.00 0.00 H new ATOM 0 HA ASP A 57 7.052 7.471 -0.376 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.676 9.065 0.619 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.175 7.591 1.423 1.00 0.00 H new ATOM 861 N ILE A 58 3.947 7.224 -1.504 1.00 0.00 N ATOM 862 CA ILE A 58 2.935 6.300 -1.988 1.00 0.00 C ATOM 863 C ILE A 58 3.579 5.301 -2.951 1.00 0.00 C ATOM 864 O ILE A 58 3.632 4.106 -2.666 1.00 0.00 O ATOM 865 CB ILE A 58 1.756 7.067 -2.595 1.00 0.00 C ATOM 866 CG1 ILE A 58 0.976 7.818 -1.514 1.00 0.00 C ATOM 867 CG2 ILE A 58 0.856 6.135 -3.408 1.00 0.00 C ATOM 868 CD1 ILE A 58 -0.014 8.803 -2.138 1.00 0.00 C ATOM 0 H ILE A 58 3.708 8.210 -1.605 1.00 0.00 H new ATOM 0 HA ILE A 58 2.520 5.723 -1.161 1.00 0.00 H new ATOM 0 HB ILE A 58 2.152 7.813 -3.284 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.440 7.106 -0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.669 8.355 -0.866 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.027 6.705 -3.828 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.433 5.685 -4.216 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.466 5.350 -2.760 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.556 9.324 -1.348 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.528 9.528 -2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.721 8.260 -2.766 1.00 0.00 H new ATOM 880 N ARG A 59 4.052 5.828 -4.070 1.00 0.00 N ATOM 881 CA ARG A 59 4.692 4.997 -5.076 1.00 0.00 C ATOM 882 C ARG A 59 5.534 3.908 -4.409 1.00 0.00 C ATOM 883 O ARG A 59 5.477 2.745 -4.802 1.00 0.00 O ATOM 884 CB ARG A 59 5.585 5.833 -5.994 1.00 0.00 C ATOM 885 CG ARG A 59 5.915 5.071 -7.280 1.00 0.00 C ATOM 886 CD ARG A 59 6.392 6.027 -8.376 1.00 0.00 C ATOM 887 NE ARG A 59 7.870 6.104 -8.373 1.00 0.00 N ATOM 888 CZ ARG A 59 8.591 6.739 -9.307 1.00 0.00 C ATOM 889 NH1 ARG A 59 7.975 7.356 -10.324 1.00 0.00 N ATOM 890 NH2 ARG A 59 9.928 6.756 -9.223 1.00 0.00 N ATOM 0 H ARG A 59 4.005 6.820 -4.303 1.00 0.00 H new ATOM 0 HA ARG A 59 3.906 4.536 -5.674 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.084 6.769 -6.240 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.507 6.092 -5.473 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.687 4.328 -7.079 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.033 4.530 -7.623 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.040 5.683 -9.348 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.968 7.018 -8.215 1.00 0.00 H new ATOM 0 HE ARG A 59 8.371 5.645 -7.612 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.957 7.342 -10.387 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.524 7.839 -11.035 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.396 6.286 -8.448 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.478 7.239 -9.934 1.00 0.00 H new ATOM 904 N ARG A 60 6.298 4.326 -3.409 1.00 0.00 N ATOM 905 CA ARG A 60 7.153 3.401 -2.683 1.00 0.00 C ATOM 906 C ARG A 60 6.311 2.302 -2.032 1.00 0.00 C ATOM 907 O ARG A 60 6.453 1.127 -2.366 1.00 0.00 O ATOM 908 CB ARG A 60 7.957 4.127 -1.602 1.00 0.00 C ATOM 909 CG ARG A 60 9.365 4.460 -2.098 1.00 0.00 C ATOM 910 CD ARG A 60 9.476 5.937 -2.483 1.00 0.00 C ATOM 911 NE ARG A 60 10.761 6.185 -3.174 1.00 0.00 N ATOM 912 CZ ARG A 60 11.309 7.398 -3.328 1.00 0.00 C ATOM 913 NH1 ARG A 60 10.689 8.481 -2.840 1.00 0.00 N ATOM 914 NH2 ARG A 60 12.479 7.528 -3.968 1.00 0.00 N ATOM 0 H ARG A 60 6.343 5.292 -3.085 1.00 0.00 H new ATOM 0 HA ARG A 60 7.846 2.958 -3.398 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.442 5.044 -1.315 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.020 3.504 -0.710 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.093 4.228 -1.321 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.608 3.837 -2.959 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.645 6.216 -3.131 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.407 6.560 -1.591 1.00 0.00 H new ATOM 0 HE ARG A 60 11.261 5.382 -3.557 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.799 8.382 -2.351 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.107 9.404 -2.958 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.952 6.704 -4.338 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.896 8.451 -4.085 1.00 0.00 H new ATOM 928 N GLY A 61 5.454 2.723 -1.113 1.00 0.00 N ATOM 929 CA GLY A 61 4.590 1.789 -0.412 1.00 0.00 C ATOM 930 C GLY A 61 3.988 0.767 -1.379 1.00 0.00 C ATOM 931 O GLY A 61 3.827 -0.402 -1.031 1.00 0.00 O ATOM 0 H GLY A 61 5.340 3.699 -0.838 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.159 1.272 0.361 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.791 2.334 0.090 1.00 0.00 H new ATOM 935 N ILE A 62 3.671 1.246 -2.573 1.00 0.00 N ATOM 936 CA ILE A 62 3.090 0.389 -3.592 1.00 0.00 C ATOM 937 C ILE A 62 4.133 -0.635 -4.046 1.00 0.00 C ATOM 938 O ILE A 62 3.819 -1.812 -4.217 1.00 0.00 O ATOM 939 CB ILE A 62 2.514 1.229 -4.734 1.00 0.00 C ATOM 940 CG1 ILE A 62 1.496 2.243 -4.209 1.00 0.00 C ATOM 941 CG2 ILE A 62 1.924 0.337 -5.828 1.00 0.00 C ATOM 942 CD1 ILE A 62 0.773 2.940 -5.363 1.00 0.00 C ATOM 0 H ILE A 62 3.806 2.216 -2.857 1.00 0.00 H new ATOM 0 HA ILE A 62 2.249 -0.172 -3.185 1.00 0.00 H new ATOM 0 HB ILE A 62 3.328 1.795 -5.186 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.770 1.738 -3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.002 2.985 -3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.522 0.959 -6.627 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.704 -0.310 -6.230 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.126 -0.275 -5.408 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.055 3.656 -4.963 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.500 3.464 -5.984 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.249 2.198 -5.965 1.00 0.00 H new ATOM 954 N VAL A 63 5.351 -0.149 -4.230 1.00 0.00 N ATOM 955 CA VAL A 63 6.442 -1.007 -4.662 1.00 0.00 C ATOM 956 C VAL A 63 6.584 -2.175 -3.684 1.00 0.00 C ATOM 957 O VAL A 63 6.661 -3.330 -4.098 1.00 0.00 O ATOM 958 CB VAL A 63 7.727 -0.188 -4.806 1.00 0.00 C ATOM 959 CG1 VAL A 63 8.954 -1.099 -4.858 1.00 0.00 C ATOM 960 CG2 VAL A 63 7.663 0.718 -6.037 1.00 0.00 C ATOM 0 H VAL A 63 5.607 0.828 -4.088 1.00 0.00 H new ATOM 0 HA VAL A 63 6.230 -1.429 -5.644 1.00 0.00 H new ATOM 0 HB VAL A 63 7.820 0.449 -3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.854 -0.492 -4.961 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.013 -1.683 -3.939 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.871 -1.772 -5.711 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.588 1.289 -6.117 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.535 0.108 -6.931 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.821 1.403 -5.941 1.00 0.00 H new ATOM 970 N LEU A 64 6.615 -1.833 -2.404 1.00 0.00 N ATOM 971 CA LEU A 64 6.747 -2.838 -1.363 1.00 0.00 C ATOM 972 C LEU A 64 5.563 -3.803 -1.440 1.00 0.00 C ATOM 973 O LEU A 64 5.746 -5.001 -1.653 1.00 0.00 O ATOM 974 CB LEU A 64 6.912 -2.174 0.005 1.00 0.00 C ATOM 975 CG LEU A 64 7.716 -0.873 0.027 1.00 0.00 C ATOM 976 CD1 LEU A 64 8.010 -0.433 1.463 1.00 0.00 C ATOM 977 CD2 LEU A 64 8.992 -1.003 -0.806 1.00 0.00 C ATOM 0 H LEU A 64 6.551 -0.873 -2.064 1.00 0.00 H new ATOM 0 HA LEU A 64 7.650 -3.428 -1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.921 -1.972 0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.392 -2.886 0.677 1.00 0.00 H new ATOM 0 HG LEU A 64 7.111 -0.090 -0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.583 0.494 1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.072 -0.272 1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.586 -1.207 1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.545 -0.064 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.611 -1.803 -0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.730 -1.234 -1.839 1.00 0.00 H new ATOM 989 N LEU A 65 4.374 -3.246 -1.262 1.00 0.00 N ATOM 990 CA LEU A 65 3.160 -4.043 -1.308 1.00 0.00 C ATOM 991 C LEU A 65 3.119 -4.828 -2.621 1.00 0.00 C ATOM 992 O LEU A 65 2.615 -5.949 -2.662 1.00 0.00 O ATOM 993 CB LEU A 65 1.930 -3.160 -1.082 1.00 0.00 C ATOM 994 CG LEU A 65 1.961 -2.273 0.164 1.00 0.00 C ATOM 995 CD1 LEU A 65 1.218 -0.958 -0.079 1.00 0.00 C ATOM 996 CD2 LEU A 65 1.417 -3.022 1.383 1.00 0.00 C ATOM 0 H LEU A 65 4.226 -2.252 -1.086 1.00 0.00 H new ATOM 0 HA LEU A 65 3.154 -4.773 -0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.801 -2.521 -1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.052 -3.803 -1.024 1.00 0.00 H new ATOM 0 HG LEU A 65 3.000 -2.020 0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.256 -0.347 0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.689 -0.420 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.179 -1.169 -0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.450 -2.369 2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.387 -3.324 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.026 -3.907 1.568 1.00 0.00 H new ATOM 1008 N GLU A 66 3.658 -4.208 -3.661 1.00 0.00 N ATOM 1009 CA GLU A 66 3.691 -4.835 -4.971 1.00 0.00 C ATOM 1010 C GLU A 66 4.698 -5.987 -4.984 1.00 0.00 C ATOM 1011 O GLU A 66 4.770 -6.743 -5.951 1.00 0.00 O ATOM 1012 CB GLU A 66 4.013 -3.811 -6.061 1.00 0.00 C ATOM 1013 CG GLU A 66 2.774 -2.993 -6.430 1.00 0.00 C ATOM 1014 CD GLU A 66 3.147 -1.802 -7.313 1.00 0.00 C ATOM 1015 OE1 GLU A 66 4.261 -1.272 -7.112 1.00 0.00 O ATOM 1016 OE2 GLU A 66 2.309 -1.447 -8.171 1.00 0.00 O ATOM 0 H GLU A 66 4.075 -3.278 -3.623 1.00 0.00 H new ATOM 0 HA GLU A 66 2.702 -5.242 -5.182 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.803 -3.144 -5.716 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.391 -4.323 -6.946 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.057 -3.627 -6.952 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.284 -2.639 -5.523 1.00 0.00 H new ATOM 1023 N GLU A 67 5.452 -6.082 -3.899 1.00 0.00 N ATOM 1024 CA GLU A 67 6.453 -7.128 -3.773 1.00 0.00 C ATOM 1025 C GLU A 67 5.939 -8.248 -2.866 1.00 0.00 C ATOM 1026 O GLU A 67 6.389 -9.389 -2.967 1.00 0.00 O ATOM 1027 CB GLU A 67 7.775 -6.563 -3.251 1.00 0.00 C ATOM 1028 CG GLU A 67 8.583 -5.923 -4.382 1.00 0.00 C ATOM 1029 CD GLU A 67 10.070 -6.256 -4.248 1.00 0.00 C ATOM 1030 OE1 GLU A 67 10.769 -5.472 -3.571 1.00 0.00 O ATOM 1031 OE2 GLU A 67 10.475 -7.287 -4.827 1.00 0.00 O ATOM 0 H GLU A 67 5.390 -5.452 -3.099 1.00 0.00 H new ATOM 0 HA GLU A 67 6.640 -7.545 -4.762 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.577 -5.822 -2.476 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.358 -7.360 -2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.212 -6.277 -5.344 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.446 -4.842 -4.366 1.00 0.00 H new ATOM 1038 N LEU A 68 5.004 -7.884 -2.002 1.00 0.00 N ATOM 1039 CA LEU A 68 4.423 -8.844 -1.077 1.00 0.00 C ATOM 1040 C LEU A 68 3.217 -9.514 -1.737 1.00 0.00 C ATOM 1041 O LEU A 68 2.704 -10.512 -1.231 1.00 0.00 O ATOM 1042 CB LEU A 68 4.100 -8.173 0.258 1.00 0.00 C ATOM 1043 CG LEU A 68 5.191 -7.268 0.836 1.00 0.00 C ATOM 1044 CD1 LEU A 68 4.582 -6.136 1.666 1.00 0.00 C ATOM 1045 CD2 LEU A 68 6.211 -8.080 1.636 1.00 0.00 C ATOM 0 H LEU A 68 4.633 -6.937 -1.922 1.00 0.00 H new ATOM 0 HA LEU A 68 5.139 -9.632 -0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.193 -7.581 0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.876 -8.951 0.988 1.00 0.00 H new ATOM 0 HG LEU A 68 5.727 -6.807 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.379 -5.508 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.927 -5.534 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.006 -6.558 2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.975 -7.413 2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.707 -8.588 2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.679 -8.819 0.985 1.00 0.00 H new ATOM 1057 N LEU A 69 2.798 -8.940 -2.855 1.00 0.00 N ATOM 1058 CA LEU A 69 1.662 -9.470 -3.588 1.00 0.00 C ATOM 1059 C LEU A 69 1.896 -10.953 -3.882 1.00 0.00 C ATOM 1060 O LEU A 69 1.116 -11.805 -3.458 1.00 0.00 O ATOM 1061 CB LEU A 69 1.392 -8.631 -4.838 1.00 0.00 C ATOM 1062 CG LEU A 69 0.114 -7.789 -4.819 1.00 0.00 C ATOM 1063 CD1 LEU A 69 -1.098 -8.642 -4.438 1.00 0.00 C ATOM 1064 CD2 LEU A 69 0.272 -6.574 -3.902 1.00 0.00 C ATOM 0 H LEU A 69 3.225 -8.113 -3.271 1.00 0.00 H new ATOM 0 HA LEU A 69 0.756 -9.403 -2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.240 -7.964 -4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.350 -9.300 -5.698 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.062 -7.411 -5.826 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.993 -8.020 -4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.220 -9.446 -5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.946 -9.068 -3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.650 -5.993 -3.906 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.485 -6.909 -2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.094 -5.953 -4.259 1.00 0.00 H new ATOM 1076 N PRO A 70 3.002 -11.225 -4.625 1.00 0.00 N ATOM 1077 CA PRO A 70 3.349 -12.589 -4.981 1.00 0.00 C ATOM 1078 C PRO A 70 3.931 -13.338 -3.780 1.00 0.00 C ATOM 1079 O PRO A 70 3.960 -14.568 -3.765 1.00 0.00 O ATOM 1080 CB PRO A 70 4.332 -12.459 -6.132 1.00 0.00 C ATOM 1081 CG PRO A 70 4.855 -11.033 -6.074 1.00 0.00 C ATOM 1082 CD PRO A 70 3.948 -10.242 -5.145 1.00 0.00 C ATOM 0 HA PRO A 70 2.482 -13.178 -5.280 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.146 -13.178 -6.034 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.844 -12.658 -7.086 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.882 -11.018 -5.709 1.00 0.00 H new ATOM 0 HG3 PRO A 70 4.863 -10.589 -7.069 1.00 0.00 H new ATOM 0 HD2 PRO A 70 4.516 -9.775 -4.340 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.435 -9.442 -5.679 1.00 0.00 H new ATOM 1090 N LYS A 71 4.378 -12.564 -2.802 1.00 0.00 N ATOM 1091 CA LYS A 71 4.958 -13.139 -1.599 1.00 0.00 C ATOM 1092 C LYS A 71 3.899 -13.174 -0.495 1.00 0.00 C ATOM 1093 O LYS A 71 4.232 -13.159 0.689 1.00 0.00 O ATOM 1094 CB LYS A 71 6.231 -12.387 -1.206 1.00 0.00 C ATOM 1095 CG LYS A 71 7.137 -12.170 -2.421 1.00 0.00 C ATOM 1096 CD LYS A 71 8.391 -11.383 -2.036 1.00 0.00 C ATOM 1097 CE LYS A 71 9.157 -10.929 -3.279 1.00 0.00 C ATOM 1098 NZ LYS A 71 9.518 -12.094 -4.120 1.00 0.00 N ATOM 0 H LYS A 71 4.351 -11.544 -2.817 1.00 0.00 H new ATOM 0 HA LYS A 71 5.266 -14.169 -1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.968 -11.424 -0.767 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.769 -12.949 -0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.423 -13.134 -2.842 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.590 -11.633 -3.196 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.111 -10.515 -1.440 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.036 -12.002 -1.413 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.548 -10.232 -3.855 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.059 -10.394 -2.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.229 -11.808 -4.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.908 -12.848 -3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.670 -12.445 -4.609 1.00 0.00 H new ATOM 1112 N GLY A 72 2.646 -13.222 -0.922 1.00 0.00 N ATOM 1113 CA GLY A 72 1.537 -13.259 0.015 1.00 0.00 C ATOM 1114 C GLY A 72 1.025 -14.689 0.202 1.00 0.00 C ATOM 1115 O GLY A 72 1.363 -15.580 -0.576 1.00 0.00 O ATOM 0 H GLY A 72 2.374 -13.236 -1.905 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.854 -12.854 0.976 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.729 -12.624 -0.347 1.00 0.00 H new ATOM 1119 N SER A 73 0.218 -14.864 1.237 1.00 0.00 N ATOM 1120 CA SER A 73 -0.344 -16.171 1.536 1.00 0.00 C ATOM 1121 C SER A 73 -1.681 -16.342 0.813 1.00 0.00 C ATOM 1122 O SER A 73 -1.854 -17.278 0.033 1.00 0.00 O ATOM 1123 CB SER A 73 -0.527 -16.360 3.044 1.00 0.00 C ATOM 1124 OG SER A 73 -0.726 -17.728 3.389 1.00 0.00 O ATOM 0 H SER A 73 -0.061 -14.123 1.880 1.00 0.00 H new ATOM 0 HA SER A 73 0.352 -16.932 1.184 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.350 -15.978 3.567 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.381 -15.773 3.382 1.00 0.00 H new ATOM 0 HG SER A 73 -0.837 -17.808 4.359 1.00 0.00 H new ATOM 1130 N LYS A 74 -2.594 -15.425 1.099 1.00 0.00 N ATOM 1131 CA LYS A 74 -3.911 -15.464 0.486 1.00 0.00 C ATOM 1132 C LYS A 74 -4.776 -14.346 1.074 1.00 0.00 C ATOM 1133 O LYS A 74 -5.292 -13.505 0.341 1.00 0.00 O ATOM 1134 CB LYS A 74 -4.528 -16.857 0.627 1.00 0.00 C ATOM 1135 CG LYS A 74 -5.031 -17.373 -0.721 1.00 0.00 C ATOM 1136 CD LYS A 74 -6.017 -18.528 -0.533 1.00 0.00 C ATOM 1137 CE LYS A 74 -7.434 -18.007 -0.288 1.00 0.00 C ATOM 1138 NZ LYS A 74 -8.123 -18.832 0.728 1.00 0.00 N ATOM 0 H LYS A 74 -2.448 -14.651 1.747 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.837 -15.281 -0.586 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.788 -17.547 1.031 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.353 -16.823 1.338 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.514 -16.563 -1.267 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.187 -17.706 -1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.008 -19.165 -1.417 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.703 -19.146 0.308 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.394 -16.970 0.044 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.999 -18.021 -1.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.083 -18.464 0.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.179 -19.816 0.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.592 -18.797 1.622 1.00 0.00 H new ATOM 1152 N GLU A 75 -4.907 -14.374 2.392 1.00 0.00 N ATOM 1153 CA GLU A 75 -5.699 -13.375 3.087 1.00 0.00 C ATOM 1154 C GLU A 75 -4.915 -12.066 3.207 1.00 0.00 C ATOM 1155 O GLU A 75 -5.467 -11.043 3.611 1.00 0.00 O ATOM 1156 CB GLU A 75 -6.137 -13.881 4.463 1.00 0.00 C ATOM 1157 CG GLU A 75 -4.934 -14.046 5.395 1.00 0.00 C ATOM 1158 CD GLU A 75 -5.097 -15.277 6.288 1.00 0.00 C ATOM 1159 OE1 GLU A 75 -5.938 -15.201 7.210 1.00 0.00 O ATOM 1160 OE2 GLU A 75 -4.378 -16.265 6.029 1.00 0.00 O ATOM 0 H GLU A 75 -4.477 -15.074 2.997 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.600 -13.184 2.504 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.849 -13.182 4.902 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.653 -14.835 4.356 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.022 -14.139 4.805 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.824 -13.155 6.014 1.00 0.00 H new ATOM 1167 N GLU A 76 -3.642 -12.141 2.851 1.00 0.00 N ATOM 1168 CA GLU A 76 -2.777 -10.975 2.914 1.00 0.00 C ATOM 1169 C GLU A 76 -2.864 -10.179 1.610 1.00 0.00 C ATOM 1170 O GLU A 76 -2.753 -8.954 1.619 1.00 0.00 O ATOM 1171 CB GLU A 76 -1.332 -11.380 3.214 1.00 0.00 C ATOM 1172 CG GLU A 76 -1.090 -11.471 4.722 1.00 0.00 C ATOM 1173 CD GLU A 76 0.190 -10.734 5.118 1.00 0.00 C ATOM 1174 OE1 GLU A 76 0.172 -9.487 5.049 1.00 0.00 O ATOM 1175 OE2 GLU A 76 1.159 -11.436 5.479 1.00 0.00 O ATOM 0 H GLU A 76 -3.188 -12.991 2.518 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.118 -10.337 3.730 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.116 -12.342 2.749 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.648 -10.653 2.776 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.939 -11.045 5.256 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.018 -12.517 5.020 1.00 0.00 H new ATOM 1182 N GLN A 77 -3.061 -10.907 0.521 1.00 0.00 N ATOM 1183 CA GLN A 77 -3.163 -10.284 -0.787 1.00 0.00 C ATOM 1184 C GLN A 77 -4.342 -9.310 -0.820 1.00 0.00 C ATOM 1185 O GLN A 77 -4.290 -8.288 -1.504 1.00 0.00 O ATOM 1186 CB GLN A 77 -3.292 -11.338 -1.889 1.00 0.00 C ATOM 1187 CG GLN A 77 -1.939 -11.611 -2.548 1.00 0.00 C ATOM 1188 CD GLN A 77 -2.119 -12.270 -3.917 1.00 0.00 C ATOM 1189 OE1 GLN A 77 -2.892 -11.827 -4.751 1.00 0.00 O ATOM 1190 NE2 GLN A 77 -1.366 -13.351 -4.101 1.00 0.00 N ATOM 0 H GLN A 77 -3.153 -11.923 0.518 1.00 0.00 H new ATOM 0 HA GLN A 77 -2.247 -9.723 -0.972 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -3.689 -12.262 -1.469 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -4.005 -10.998 -2.641 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.390 -10.676 -2.660 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -1.341 -12.257 -1.905 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.740 -13.668 -3.361 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.415 -13.863 -4.982 1.00 0.00 H new ATOM 1199 N ARG A 78 -5.378 -9.660 -0.073 1.00 0.00 N ATOM 1200 CA ARG A 78 -6.569 -8.828 -0.007 1.00 0.00 C ATOM 1201 C ARG A 78 -6.250 -7.498 0.679 1.00 0.00 C ATOM 1202 O ARG A 78 -6.867 -6.477 0.378 1.00 0.00 O ATOM 1203 CB ARG A 78 -7.691 -9.533 0.757 1.00 0.00 C ATOM 1204 CG ARG A 78 -8.322 -10.638 -0.092 1.00 0.00 C ATOM 1205 CD ARG A 78 -7.541 -11.947 0.043 1.00 0.00 C ATOM 1206 NE ARG A 78 -8.475 -13.078 0.232 1.00 0.00 N ATOM 1207 CZ ARG A 78 -9.234 -13.252 1.322 1.00 0.00 C ATOM 1208 NH1 ARG A 78 -9.173 -12.369 2.327 1.00 0.00 N ATOM 1209 NH2 ARG A 78 -10.055 -14.308 1.407 1.00 0.00 N ATOM 0 H ARG A 78 -5.418 -10.508 0.492 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.902 -8.643 -1.028 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.296 -9.959 1.679 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.453 -8.808 1.042 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.356 -10.794 0.217 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.345 -10.330 -1.137 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.934 -12.111 -0.847 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.856 -11.885 0.889 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.546 -13.769 -0.515 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.549 -11.565 2.262 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.751 -12.501 3.157 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.102 -14.980 0.641 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.632 -14.439 2.237 1.00 0.00 H new ATOM 1223 N ASP A 79 -5.288 -7.554 1.588 1.00 0.00 N ATOM 1224 CA ASP A 79 -4.881 -6.366 2.320 1.00 0.00 C ATOM 1225 C ASP A 79 -3.839 -5.601 1.502 1.00 0.00 C ATOM 1226 O ASP A 79 -3.560 -4.436 1.780 1.00 0.00 O ATOM 1227 CB ASP A 79 -4.250 -6.736 3.663 1.00 0.00 C ATOM 1228 CG ASP A 79 -4.990 -6.209 4.894 1.00 0.00 C ATOM 1229 OD1 ASP A 79 -6.230 -6.371 4.922 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -4.301 -5.656 5.777 1.00 0.00 O ATOM 0 H ASP A 79 -4.779 -8.403 1.834 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.768 -5.757 2.495 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.190 -7.822 3.732 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.228 -6.358 3.683 1.00 0.00 H new ATOM 1235 N TYR A 80 -3.292 -6.288 0.509 1.00 0.00 N ATOM 1236 CA TYR A 80 -2.286 -5.688 -0.351 1.00 0.00 C ATOM 1237 C TYR A 80 -2.938 -4.870 -1.468 1.00 0.00 C ATOM 1238 O TYR A 80 -2.892 -3.641 -1.450 1.00 0.00 O ATOM 1239 CB TYR A 80 -1.513 -6.852 -0.972 1.00 0.00 C ATOM 1240 CG TYR A 80 -0.644 -7.624 0.024 1.00 0.00 C ATOM 1241 CD1 TYR A 80 -0.404 -7.102 1.279 1.00 0.00 C ATOM 1242 CD2 TYR A 80 -0.100 -8.841 -0.334 1.00 0.00 C ATOM 1243 CE1 TYR A 80 0.414 -7.828 2.216 1.00 0.00 C ATOM 1244 CE2 TYR A 80 0.718 -9.567 0.603 1.00 0.00 C ATOM 1245 CZ TYR A 80 0.934 -9.025 1.831 1.00 0.00 C ATOM 1246 OH TYR A 80 1.707 -9.710 2.717 1.00 0.00 O ATOM 0 H TYR A 80 -3.527 -7.254 0.281 1.00 0.00 H new ATOM 0 HA TYR A 80 -1.643 -5.017 0.220 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.222 -7.542 -1.431 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -0.878 -6.468 -1.771 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.829 -6.149 1.558 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.288 -9.249 -1.316 1.00 0.00 H new ATOM 0 HE1 TYR A 80 0.610 -7.432 3.201 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.150 -10.520 0.336 1.00 0.00 H new ATOM 0 HH TYR A 80 1.635 -9.296 3.602 1.00 0.00 H new ATOM 1256 N VAL A 81 -3.528 -5.585 -2.413 1.00 0.00 N ATOM 1257 CA VAL A 81 -4.188 -4.942 -3.536 1.00 0.00 C ATOM 1258 C VAL A 81 -4.862 -3.654 -3.057 1.00 0.00 C ATOM 1259 O VAL A 81 -4.573 -2.572 -3.566 1.00 0.00 O ATOM 1260 CB VAL A 81 -5.165 -5.916 -4.199 1.00 0.00 C ATOM 1261 CG1 VAL A 81 -5.890 -5.253 -5.371 1.00 0.00 C ATOM 1262 CG2 VAL A 81 -4.448 -7.191 -4.648 1.00 0.00 C ATOM 0 H VAL A 81 -3.563 -6.604 -2.425 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.459 -4.665 -4.298 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.914 -6.196 -3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.578 -5.967 -5.824 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.449 -4.389 -5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.161 -4.930 -6.114 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.165 -7.866 -5.116 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.668 -6.936 -5.365 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.000 -7.680 -3.783 1.00 0.00 H new ATOM 1272 N PHE A 82 -5.748 -3.814 -2.084 1.00 0.00 N ATOM 1273 CA PHE A 82 -6.464 -2.678 -1.532 1.00 0.00 C ATOM 1274 C PHE A 82 -5.539 -1.469 -1.375 1.00 0.00 C ATOM 1275 O PHE A 82 -5.824 -0.392 -1.897 1.00 0.00 O ATOM 1276 CB PHE A 82 -6.972 -3.098 -0.150 1.00 0.00 C ATOM 1277 CG PHE A 82 -7.515 -1.942 0.691 1.00 0.00 C ATOM 1278 CD1 PHE A 82 -8.244 -0.956 0.103 1.00 0.00 C ATOM 1279 CD2 PHE A 82 -7.269 -1.901 2.029 1.00 0.00 C ATOM 1280 CE1 PHE A 82 -8.748 0.116 0.884 1.00 0.00 C ATOM 1281 CE2 PHE A 82 -7.774 -0.827 2.810 1.00 0.00 C ATOM 1282 CZ PHE A 82 -8.503 0.158 2.221 1.00 0.00 C ATOM 0 H PHE A 82 -5.985 -4.713 -1.665 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.279 -2.394 -2.197 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.757 -3.844 -0.274 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.159 -3.579 0.394 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -8.439 -0.989 -0.959 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.691 -2.684 2.497 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -9.326 0.899 0.416 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -7.579 -0.793 3.872 1.00 0.00 H new ATOM 0 HZ PHE A 82 -8.888 0.974 2.815 1.00 0.00 H new ATOM 1292 N TYR A 83 -4.449 -1.687 -0.654 1.00 0.00 N ATOM 1293 CA TYR A 83 -3.480 -0.630 -0.422 1.00 0.00 C ATOM 1294 C TYR A 83 -2.821 -0.194 -1.732 1.00 0.00 C ATOM 1295 O TYR A 83 -2.466 0.973 -1.894 1.00 0.00 O ATOM 1296 CB TYR A 83 -2.414 -1.228 0.497 1.00 0.00 C ATOM 1297 CG TYR A 83 -2.895 -1.480 1.927 1.00 0.00 C ATOM 1298 CD1 TYR A 83 -4.154 -1.066 2.315 1.00 0.00 C ATOM 1299 CD2 TYR A 83 -2.071 -2.120 2.830 1.00 0.00 C ATOM 1300 CE1 TYR A 83 -4.607 -1.303 3.662 1.00 0.00 C ATOM 1301 CE2 TYR A 83 -2.524 -2.357 4.177 1.00 0.00 C ATOM 1302 CZ TYR A 83 -3.770 -1.936 4.526 1.00 0.00 C ATOM 1303 OH TYR A 83 -4.198 -2.160 5.798 1.00 0.00 O ATOM 0 H TYR A 83 -4.216 -2.581 -0.222 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.963 0.245 0.013 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.068 -2.169 0.070 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.556 -0.556 0.526 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.799 -0.565 1.609 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -1.086 -2.443 2.527 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.589 -0.985 3.978 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.889 -2.857 4.893 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.906 -1.424 6.376 1.00 0.00 H new ATOM 1313 N LEU A 84 -2.676 -1.155 -2.633 1.00 0.00 N ATOM 1314 CA LEU A 84 -2.065 -0.885 -3.923 1.00 0.00 C ATOM 1315 C LEU A 84 -2.968 0.057 -4.723 1.00 0.00 C ATOM 1316 O LEU A 84 -2.482 0.883 -5.494 1.00 0.00 O ATOM 1317 CB LEU A 84 -1.745 -2.193 -4.649 1.00 0.00 C ATOM 1318 CG LEU A 84 -0.358 -2.782 -4.390 1.00 0.00 C ATOM 1319 CD1 LEU A 84 -0.271 -3.383 -2.985 1.00 0.00 C ATOM 1320 CD2 LEU A 84 0.018 -3.797 -5.471 1.00 0.00 C ATOM 0 H LEU A 84 -2.971 -2.121 -2.495 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.109 -0.378 -3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.492 -2.935 -4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.853 -2.026 -5.721 1.00 0.00 H new ATOM 0 HG LEU A 84 0.371 -1.973 -4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.726 -3.795 -2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.465 -2.607 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.012 -4.176 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.009 -4.200 -5.263 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.710 -4.608 -5.477 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.023 -3.307 -6.444 1.00 0.00 H new ATOM 1332 N ALA A 85 -4.267 -0.097 -4.510 1.00 0.00 N ATOM 1333 CA ALA A 85 -5.241 0.729 -5.201 1.00 0.00 C ATOM 1334 C ALA A 85 -5.383 2.064 -4.467 1.00 0.00 C ATOM 1335 O ALA A 85 -5.168 3.124 -5.054 1.00 0.00 O ATOM 1336 CB ALA A 85 -6.569 -0.024 -5.303 1.00 0.00 C ATOM 0 H ALA A 85 -4.667 -0.782 -3.868 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.910 0.944 -6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.300 0.596 -5.822 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.420 -0.950 -5.858 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.934 -0.255 -4.302 1.00 0.00 H new ATOM 1342 N VAL A 86 -5.745 1.969 -3.196 1.00 0.00 N ATOM 1343 CA VAL A 86 -5.918 3.156 -2.377 1.00 0.00 C ATOM 1344 C VAL A 86 -4.704 4.071 -2.548 1.00 0.00 C ATOM 1345 O VAL A 86 -4.847 5.289 -2.638 1.00 0.00 O ATOM 1346 CB VAL A 86 -6.164 2.754 -0.921 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -4.858 2.343 -0.237 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -6.854 3.882 -0.151 1.00 0.00 C ATOM 0 H VAL A 86 -5.923 1.088 -2.714 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.795 3.718 -2.699 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.829 1.890 -0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.061 2.062 0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.422 1.495 -0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.159 3.179 -0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.018 3.571 0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.224 4.771 -0.167 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.813 4.108 -0.618 1.00 0.00 H new ATOM 1358 N GLY A 87 -3.535 3.447 -2.588 1.00 0.00 N ATOM 1359 CA GLY A 87 -2.296 4.191 -2.748 1.00 0.00 C ATOM 1360 C GLY A 87 -2.165 4.741 -4.169 1.00 0.00 C ATOM 1361 O GLY A 87 -1.851 5.915 -4.358 1.00 0.00 O ATOM 0 H GLY A 87 -3.420 2.436 -2.513 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.266 5.013 -2.032 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.448 3.544 -2.525 1.00 0.00 H new ATOM 1365 N ASN A 88 -2.413 3.866 -5.133 1.00 0.00 N ATOM 1366 CA ASN A 88 -2.327 4.249 -6.532 1.00 0.00 C ATOM 1367 C ASN A 88 -3.278 5.417 -6.796 1.00 0.00 C ATOM 1368 O ASN A 88 -2.898 6.401 -7.428 1.00 0.00 O ATOM 1369 CB ASN A 88 -2.735 3.091 -7.446 1.00 0.00 C ATOM 1370 CG ASN A 88 -1.506 2.429 -8.072 1.00 0.00 C ATOM 1371 OD1 ASN A 88 -0.792 3.012 -8.870 1.00 0.00 O ATOM 1372 ND2 ASN A 88 -1.302 1.177 -7.668 1.00 0.00 N ATOM 0 H ASN A 88 -2.674 2.893 -4.973 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.295 4.528 -6.742 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.299 2.353 -6.875 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.395 3.458 -8.232 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.509 0.647 -8.030 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.939 0.748 -6.997 1.00 0.00 H new ATOM 1379 N TYR A 89 -4.497 5.272 -6.297 1.00 0.00 N ATOM 1380 CA TYR A 89 -5.505 6.303 -6.472 1.00 0.00 C ATOM 1381 C TYR A 89 -4.963 7.674 -6.065 1.00 0.00 C ATOM 1382 O TYR A 89 -4.986 8.615 -6.857 1.00 0.00 O ATOM 1383 CB TYR A 89 -6.658 5.926 -5.539 1.00 0.00 C ATOM 1384 CG TYR A 89 -7.545 7.108 -5.138 1.00 0.00 C ATOM 1385 CD1 TYR A 89 -8.587 7.496 -5.955 1.00 0.00 C ATOM 1386 CD2 TYR A 89 -7.303 7.784 -3.960 1.00 0.00 C ATOM 1387 CE1 TYR A 89 -9.422 8.607 -5.578 1.00 0.00 C ATOM 1388 CE2 TYR A 89 -8.138 8.895 -3.583 1.00 0.00 C ATOM 1389 CZ TYR A 89 -9.155 9.252 -4.411 1.00 0.00 C ATOM 1390 OH TYR A 89 -9.944 10.302 -4.056 1.00 0.00 O ATOM 0 H TYR A 89 -4.809 4.455 -5.771 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.814 6.366 -7.515 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.275 5.171 -6.027 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.249 5.470 -4.638 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.776 6.967 -6.877 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.487 7.480 -3.321 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -10.241 8.921 -6.208 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.960 9.432 -2.663 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.638 10.666 -3.199 1.00 0.00 H new ATOM 1400 N ARG A 90 -4.486 7.744 -4.831 1.00 0.00 N ATOM 1401 CA ARG A 90 -3.938 8.985 -4.309 1.00 0.00 C ATOM 1402 C ARG A 90 -2.852 9.521 -5.245 1.00 0.00 C ATOM 1403 O ARG A 90 -2.550 10.713 -5.233 1.00 0.00 O ATOM 1404 CB ARG A 90 -3.344 8.782 -2.914 1.00 0.00 C ATOM 1405 CG ARG A 90 -3.695 9.952 -1.993 1.00 0.00 C ATOM 1406 CD ARG A 90 -2.670 11.080 -2.126 1.00 0.00 C ATOM 1407 NE ARG A 90 -3.361 12.388 -2.177 1.00 0.00 N ATOM 1408 CZ ARG A 90 -2.729 13.570 -2.213 1.00 0.00 C ATOM 1409 NH1 ARG A 90 -1.391 13.615 -2.203 1.00 0.00 N ATOM 1410 NH2 ARG A 90 -3.439 14.707 -2.259 1.00 0.00 N ATOM 0 H ARG A 90 -4.468 6.961 -4.177 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.754 9.705 -4.243 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.720 7.853 -2.486 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.261 8.684 -2.987 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.688 10.328 -2.238 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.731 9.608 -0.959 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.980 11.057 -1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.076 10.938 -3.029 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.381 12.390 -2.185 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.852 12.750 -2.168 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.911 14.514 -2.230 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.458 14.672 -2.267 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.960 15.607 -2.286 1.00 0.00 H new ATOM 1424 N LEU A 91 -2.294 8.612 -6.032 1.00 0.00 N ATOM 1425 CA LEU A 91 -1.248 8.978 -6.972 1.00 0.00 C ATOM 1426 C LEU A 91 -1.881 9.348 -8.315 1.00 0.00 C ATOM 1427 O LEU A 91 -1.190 9.427 -9.330 1.00 0.00 O ATOM 1428 CB LEU A 91 -0.202 7.865 -7.070 1.00 0.00 C ATOM 1429 CG LEU A 91 1.232 8.258 -6.711 1.00 0.00 C ATOM 1430 CD1 LEU A 91 2.027 7.045 -6.224 1.00 0.00 C ATOM 1431 CD2 LEU A 91 1.919 8.962 -7.883 1.00 0.00 C ATOM 0 H LEU A 91 -2.546 7.624 -6.038 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.711 9.858 -6.620 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.508 7.048 -6.417 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.207 7.478 -8.089 1.00 0.00 H new ATOM 0 HG LEU A 91 1.194 8.970 -5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.043 7.352 -5.975 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.547 6.627 -5.339 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.058 6.291 -7.010 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.937 9.230 -7.600 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.946 8.294 -8.744 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.364 9.864 -8.141 1.00 0.00 H new ATOM 1443 N LYS A 92 -3.188 9.563 -8.277 1.00 0.00 N ATOM 1444 CA LYS A 92 -3.922 9.922 -9.478 1.00 0.00 C ATOM 1445 C LYS A 92 -3.992 8.710 -10.409 1.00 0.00 C ATOM 1446 O LYS A 92 -4.455 8.820 -11.544 1.00 0.00 O ATOM 1447 CB LYS A 92 -3.309 11.163 -10.130 1.00 0.00 C ATOM 1448 CG LYS A 92 -3.342 12.358 -9.175 1.00 0.00 C ATOM 1449 CD LYS A 92 -4.542 13.260 -9.466 1.00 0.00 C ATOM 1450 CE LYS A 92 -4.696 14.334 -8.388 1.00 0.00 C ATOM 1451 NZ LYS A 92 -4.993 15.647 -9.003 1.00 0.00 N ATOM 0 H LYS A 92 -3.757 9.495 -7.433 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.948 10.194 -9.230 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.280 10.954 -10.421 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.855 11.406 -11.042 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.390 12.004 -8.145 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.420 12.931 -9.272 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.418 13.733 -10.440 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -5.450 12.658 -9.517 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.497 14.057 -7.703 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -3.781 14.400 -7.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.094 16.365 -8.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.216 15.916 -9.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -5.878 15.584 -9.545 1.00 0.00 H new ATOM 1465 N GLU A 93 -3.525 7.581 -9.895 1.00 0.00 N ATOM 1466 CA GLU A 93 -3.530 6.350 -10.666 1.00 0.00 C ATOM 1467 C GLU A 93 -4.818 5.565 -10.407 1.00 0.00 C ATOM 1468 O GLU A 93 -4.868 4.729 -9.506 1.00 0.00 O ATOM 1469 CB GLU A 93 -2.298 5.500 -10.349 1.00 0.00 C ATOM 1470 CG GLU A 93 -1.022 6.173 -10.862 1.00 0.00 C ATOM 1471 CD GLU A 93 -1.105 6.430 -12.367 1.00 0.00 C ATOM 1472 OE1 GLU A 93 -1.666 7.485 -12.733 1.00 0.00 O ATOM 1473 OE2 GLU A 93 -0.604 5.565 -13.119 1.00 0.00 O ATOM 0 H GLU A 93 -3.141 7.494 -8.954 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.492 6.608 -11.724 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.225 5.346 -9.272 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.403 4.516 -10.805 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.867 7.115 -10.337 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.161 5.541 -10.644 1.00 0.00 H new ATOM 1480 N TYR A 94 -5.828 5.863 -11.211 1.00 0.00 N ATOM 1481 CA TYR A 94 -7.112 5.197 -11.080 1.00 0.00 C ATOM 1482 C TYR A 94 -7.097 3.837 -11.780 1.00 0.00 C ATOM 1483 O TYR A 94 -7.543 2.838 -11.216 1.00 0.00 O ATOM 1484 CB TYR A 94 -8.131 6.103 -11.772 1.00 0.00 C ATOM 1485 CG TYR A 94 -7.882 7.597 -11.557 1.00 0.00 C ATOM 1486 CD1 TYR A 94 -7.487 8.059 -10.319 1.00 0.00 C ATOM 1487 CD2 TYR A 94 -8.052 8.483 -12.602 1.00 0.00 C ATOM 1488 CE1 TYR A 94 -7.252 9.466 -10.115 1.00 0.00 C ATOM 1489 CE2 TYR A 94 -7.817 9.889 -12.398 1.00 0.00 C ATOM 1490 CZ TYR A 94 -7.430 10.312 -11.165 1.00 0.00 C ATOM 1491 OH TYR A 94 -7.209 11.640 -10.974 1.00 0.00 O ATOM 0 H TYR A 94 -5.783 6.558 -11.956 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.351 5.027 -10.030 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -8.121 5.894 -12.842 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -9.128 5.855 -11.408 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.354 7.366 -9.502 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.361 8.122 -13.572 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.942 9.840 -9.151 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.945 10.593 -13.207 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.374 12.123 -11.811 1.00 0.00 H new ATOM 1501 N GLU A 95 -6.581 3.840 -13.001 1.00 0.00 N ATOM 1502 CA GLU A 95 -6.503 2.620 -13.785 1.00 0.00 C ATOM 1503 C GLU A 95 -6.004 1.463 -12.916 1.00 0.00 C ATOM 1504 O GLU A 95 -6.786 0.605 -12.510 1.00 0.00 O ATOM 1505 CB GLU A 95 -5.608 2.811 -15.010 1.00 0.00 C ATOM 1506 CG GLU A 95 -6.327 3.618 -16.094 1.00 0.00 C ATOM 1507 CD GLU A 95 -5.378 4.624 -16.749 1.00 0.00 C ATOM 1508 OE1 GLU A 95 -4.213 4.236 -16.982 1.00 0.00 O ATOM 1509 OE2 GLU A 95 -5.840 5.757 -17.002 1.00 0.00 O ATOM 0 H GLU A 95 -6.213 4.670 -13.466 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.503 2.376 -14.142 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.691 3.323 -14.719 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.318 1.839 -15.408 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.726 2.943 -16.851 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.176 4.144 -15.658 1.00 0.00 H new ATOM 1516 N LYS A 96 -4.704 1.477 -12.658 1.00 0.00 N ATOM 1517 CA LYS A 96 -4.092 0.439 -11.845 1.00 0.00 C ATOM 1518 C LYS A 96 -4.937 0.214 -10.591 1.00 0.00 C ATOM 1519 O LYS A 96 -5.153 -0.925 -10.179 1.00 0.00 O ATOM 1520 CB LYS A 96 -2.630 0.784 -11.548 1.00 0.00 C ATOM 1521 CG LYS A 96 -1.764 0.621 -12.798 1.00 0.00 C ATOM 1522 CD LYS A 96 -1.412 -0.849 -13.035 1.00 0.00 C ATOM 1523 CE LYS A 96 -0.605 -1.020 -14.323 1.00 0.00 C ATOM 1524 NZ LYS A 96 -1.359 -1.831 -15.304 1.00 0.00 N ATOM 0 H LYS A 96 -4.058 2.190 -12.997 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.069 -0.506 -12.388 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.561 1.809 -11.185 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.254 0.139 -10.754 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.293 1.016 -13.665 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -0.850 1.204 -12.690 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.839 -1.230 -12.190 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.326 -1.440 -13.093 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.377 -0.043 -14.749 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.348 -1.501 -14.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.796 -1.937 -16.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.554 -2.770 -14.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -2.257 -1.357 -15.529 1.00 0.00 H new ATOM 1538 N ALA A 97 -5.395 1.317 -10.017 1.00 0.00 N ATOM 1539 CA ALA A 97 -6.212 1.255 -8.818 1.00 0.00 C ATOM 1540 C ALA A 97 -7.357 0.264 -9.039 1.00 0.00 C ATOM 1541 O ALA A 97 -7.359 -0.825 -8.466 1.00 0.00 O ATOM 1542 CB ALA A 97 -6.714 2.657 -8.468 1.00 0.00 C ATOM 0 H ALA A 97 -5.215 2.260 -10.361 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.625 0.899 -7.971 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.327 2.610 -7.568 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.863 3.315 -8.293 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.310 3.047 -9.293 1.00 0.00 H new ATOM 1548 N LEU A 98 -8.303 0.677 -9.868 1.00 0.00 N ATOM 1549 CA LEU A 98 -9.451 -0.161 -10.171 1.00 0.00 C ATOM 1550 C LEU A 98 -8.974 -1.583 -10.473 1.00 0.00 C ATOM 1551 O LEU A 98 -9.326 -2.524 -9.763 1.00 0.00 O ATOM 1552 CB LEU A 98 -10.286 0.459 -11.293 1.00 0.00 C ATOM 1553 CG LEU A 98 -11.504 1.272 -10.851 1.00 0.00 C ATOM 1554 CD1 LEU A 98 -11.936 2.252 -11.945 1.00 0.00 C ATOM 1555 CD2 LEU A 98 -12.650 0.354 -10.420 1.00 0.00 C ATOM 0 H LEU A 98 -8.299 1.581 -10.340 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.115 -0.224 -9.309 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.639 1.105 -11.886 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.627 -0.341 -11.950 1.00 0.00 H new ATOM 0 HG LEU A 98 -11.221 1.864 -9.981 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -12.804 2.817 -11.605 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.118 2.939 -12.162 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.194 1.699 -12.848 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -13.503 0.958 -10.111 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.940 -0.283 -11.256 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.324 -0.268 -9.586 1.00 0.00 H new ATOM 1567 N LYS A 99 -8.181 -1.694 -11.528 1.00 0.00 N ATOM 1568 CA LYS A 99 -7.651 -2.986 -11.933 1.00 0.00 C ATOM 1569 C LYS A 99 -7.330 -3.814 -10.688 1.00 0.00 C ATOM 1570 O LYS A 99 -7.490 -5.034 -10.690 1.00 0.00 O ATOM 1571 CB LYS A 99 -6.459 -2.805 -12.876 1.00 0.00 C ATOM 1572 CG LYS A 99 -6.878 -3.012 -14.333 1.00 0.00 C ATOM 1573 CD LYS A 99 -5.734 -2.658 -15.287 1.00 0.00 C ATOM 1574 CE LYS A 99 -6.272 -2.104 -16.607 1.00 0.00 C ATOM 1575 NZ LYS A 99 -5.170 -1.547 -17.423 1.00 0.00 N ATOM 0 H LYS A 99 -7.892 -0.911 -12.115 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.396 -3.542 -12.502 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.041 -1.806 -12.752 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.673 -3.514 -12.615 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.176 -4.049 -14.486 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.748 -2.394 -14.557 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.080 -1.922 -14.819 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.129 -3.544 -15.480 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.778 -2.895 -17.161 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.013 -1.329 -16.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.553 -1.175 -18.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.704 -0.779 -16.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.478 -2.295 -17.628 1.00 0.00 H new ATOM 1589 N TYR A 100 -6.882 -3.119 -9.653 1.00 0.00 N ATOM 1590 CA TYR A 100 -6.537 -3.774 -8.403 1.00 0.00 C ATOM 1591 C TYR A 100 -7.754 -3.871 -7.480 1.00 0.00 C ATOM 1592 O TYR A 100 -7.964 -4.894 -6.831 1.00 0.00 O ATOM 1593 CB TYR A 100 -5.479 -2.889 -7.741 1.00 0.00 C ATOM 1594 CG TYR A 100 -4.058 -3.450 -7.824 1.00 0.00 C ATOM 1595 CD1 TYR A 100 -3.844 -4.807 -7.699 1.00 0.00 C ATOM 1596 CD2 TYR A 100 -2.991 -2.598 -8.024 1.00 0.00 C ATOM 1597 CE1 TYR A 100 -2.506 -5.335 -7.777 1.00 0.00 C ATOM 1598 CE2 TYR A 100 -1.654 -3.126 -8.102 1.00 0.00 C ATOM 1599 CZ TYR A 100 -1.477 -4.468 -7.976 1.00 0.00 C ATOM 1600 OH TYR A 100 -0.214 -4.967 -8.050 1.00 0.00 O ATOM 0 H TYR A 100 -6.750 -2.108 -9.655 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.179 -4.787 -8.587 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -5.498 -1.905 -8.210 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -5.742 -2.748 -6.693 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.679 -5.473 -7.543 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -3.159 -1.536 -8.122 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -2.324 -6.395 -7.680 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.810 -2.470 -8.257 1.00 0.00 H new ATOM 0 HH TYR A 100 0.384 -4.288 -8.426 1.00 0.00 H new ATOM 1610 N VAL A 101 -8.523 -2.792 -7.452 1.00 0.00 N ATOM 1611 CA VAL A 101 -9.713 -2.743 -6.620 1.00 0.00 C ATOM 1612 C VAL A 101 -10.727 -3.772 -7.127 1.00 0.00 C ATOM 1613 O VAL A 101 -11.208 -4.604 -6.358 1.00 0.00 O ATOM 1614 CB VAL A 101 -10.271 -1.319 -6.589 1.00 0.00 C ATOM 1615 CG1 VAL A 101 -11.738 -1.296 -7.021 1.00 0.00 C ATOM 1616 CG2 VAL A 101 -10.096 -0.693 -5.204 1.00 0.00 C ATOM 0 H VAL A 101 -8.345 -1.945 -7.992 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.471 -3.005 -5.590 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.704 -0.720 -7.301 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -12.110 -0.272 -6.990 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.824 -1.683 -8.036 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -12.326 -1.916 -6.345 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.501 0.319 -5.208 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.626 -1.293 -4.464 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.036 -0.659 -4.951 1.00 0.00 H new ATOM 1626 N ARG A 102 -11.020 -3.681 -8.415 1.00 0.00 N ATOM 1627 CA ARG A 102 -11.969 -4.593 -9.032 1.00 0.00 C ATOM 1628 C ARG A 102 -11.515 -6.041 -8.838 1.00 0.00 C ATOM 1629 O ARG A 102 -12.342 -6.947 -8.744 1.00 0.00 O ATOM 1630 CB ARG A 102 -12.112 -4.308 -10.529 1.00 0.00 C ATOM 1631 CG ARG A 102 -12.492 -2.846 -10.774 1.00 0.00 C ATOM 1632 CD ARG A 102 -13.897 -2.548 -10.246 1.00 0.00 C ATOM 1633 NE ARG A 102 -14.893 -2.742 -11.323 1.00 0.00 N ATOM 1634 CZ ARG A 102 -15.515 -3.904 -11.571 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -15.246 -4.981 -10.821 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -16.405 -3.988 -12.569 1.00 0.00 N ATOM 0 H ARG A 102 -10.618 -2.990 -9.049 1.00 0.00 H new ATOM 0 HA ARG A 102 -12.935 -4.443 -8.550 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -11.175 -4.534 -11.037 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -12.872 -4.962 -10.957 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.770 -2.192 -10.285 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -12.447 -2.629 -11.841 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -14.125 -3.203 -9.406 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.945 -1.524 -9.874 1.00 0.00 H new ATOM 0 HE ARG A 102 -15.121 -1.942 -11.914 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -14.568 -4.917 -10.061 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -15.719 -5.865 -11.010 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -16.610 -3.168 -13.140 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -16.878 -4.872 -12.758 1.00 0.00 H new ATOM 1650 N GLY A 103 -10.203 -6.215 -8.783 1.00 0.00 N ATOM 1651 CA GLY A 103 -9.630 -7.537 -8.601 1.00 0.00 C ATOM 1652 C GLY A 103 -9.543 -7.899 -7.116 1.00 0.00 C ATOM 1653 O GLY A 103 -9.093 -8.988 -6.764 1.00 0.00 O ATOM 0 H GLY A 103 -9.520 -5.462 -8.861 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.238 -8.276 -9.124 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -8.635 -7.570 -9.046 1.00 0.00 H new ATOM 1657 N LEU A 104 -9.983 -6.963 -6.287 1.00 0.00 N ATOM 1658 CA LEU A 104 -9.961 -7.170 -4.848 1.00 0.00 C ATOM 1659 C LEU A 104 -11.394 -7.345 -4.340 1.00 0.00 C ATOM 1660 O LEU A 104 -11.677 -8.263 -3.572 1.00 0.00 O ATOM 1661 CB LEU A 104 -9.199 -6.038 -4.156 1.00 0.00 C ATOM 1662 CG LEU A 104 -9.194 -6.070 -2.626 1.00 0.00 C ATOM 1663 CD1 LEU A 104 -10.414 -5.341 -2.059 1.00 0.00 C ATOM 1664 CD2 LEU A 104 -9.093 -7.506 -2.108 1.00 0.00 C ATOM 0 H LEU A 104 -10.356 -6.061 -6.583 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.421 -8.085 -4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.166 -6.057 -4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.627 -5.089 -4.478 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.309 -5.538 -2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.387 -5.378 -0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -10.402 -4.302 -2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.324 -5.823 -2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.091 -7.500 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.945 -8.083 -2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.170 -7.959 -2.470 1.00 0.00 H new ATOM 1676 N LEU A 105 -12.262 -6.451 -4.792 1.00 0.00 N ATOM 1677 CA LEU A 105 -13.658 -6.496 -4.394 1.00 0.00 C ATOM 1678 C LEU A 105 -14.209 -7.902 -4.638 1.00 0.00 C ATOM 1679 O LEU A 105 -15.091 -8.361 -3.914 1.00 0.00 O ATOM 1680 CB LEU A 105 -14.452 -5.393 -5.098 1.00 0.00 C ATOM 1681 CG LEU A 105 -14.458 -4.027 -4.410 1.00 0.00 C ATOM 1682 CD1 LEU A 105 -15.320 -4.053 -3.146 1.00 0.00 C ATOM 1683 CD2 LEU A 105 -13.033 -3.552 -4.121 1.00 0.00 C ATOM 0 H LEU A 105 -12.025 -5.691 -5.430 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.756 -6.296 -3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -14.050 -5.269 -6.104 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -15.484 -5.728 -5.206 1.00 0.00 H new ATOM 0 HG LEU A 105 -14.907 -3.304 -5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -15.307 -3.069 -2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -16.345 -4.316 -3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -14.923 -4.793 -2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -13.066 -2.579 -3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.536 -4.269 -3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -12.480 -3.469 -5.057 1.00 0.00 H new ATOM 1695 N GLN A 106 -13.667 -8.546 -5.662 1.00 0.00 N ATOM 1696 CA GLN A 106 -14.094 -9.890 -6.010 1.00 0.00 C ATOM 1697 C GLN A 106 -14.060 -10.794 -4.776 1.00 0.00 C ATOM 1698 O GLN A 106 -15.096 -11.290 -4.336 1.00 0.00 O ATOM 1699 CB GLN A 106 -13.230 -10.465 -7.135 1.00 0.00 C ATOM 1700 CG GLN A 106 -14.032 -10.591 -8.431 1.00 0.00 C ATOM 1701 CD GLN A 106 -14.023 -12.033 -8.943 1.00 0.00 C ATOM 1702 OE1 GLN A 106 -12.985 -12.649 -9.125 1.00 0.00 O ATOM 1703 NE2 GLN A 106 -15.234 -12.536 -9.164 1.00 0.00 N ATOM 0 H GLN A 106 -12.936 -8.162 -6.261 1.00 0.00 H new ATOM 0 HA GLN A 106 -15.121 -9.842 -6.373 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.365 -9.822 -7.299 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -12.849 -11.443 -6.842 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -15.059 -10.268 -8.260 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -13.612 -9.930 -9.189 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -16.062 -11.966 -8.991 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -15.335 -13.492 -9.506 1.00 0.00 H new ATOM 1712 N THR A 107 -12.858 -10.983 -4.252 1.00 0.00 N ATOM 1713 CA THR A 107 -12.675 -11.819 -3.079 1.00 0.00 C ATOM 1714 C THR A 107 -12.991 -11.029 -1.807 1.00 0.00 C ATOM 1715 O THR A 107 -12.999 -11.587 -0.710 1.00 0.00 O ATOM 1716 CB THR A 107 -11.249 -12.374 -3.110 1.00 0.00 C ATOM 1717 OG1 THR A 107 -11.207 -13.284 -2.015 1.00 0.00 O ATOM 1718 CG2 THR A 107 -10.201 -11.317 -2.756 1.00 0.00 C ATOM 0 H THR A 107 -12.000 -10.571 -4.619 1.00 0.00 H new ATOM 0 HA THR A 107 -13.367 -12.661 -3.083 1.00 0.00 H new ATOM 0 HB THR A 107 -11.038 -12.777 -4.101 1.00 0.00 H new ATOM 0 HG1 THR A 107 -11.882 -13.029 -1.351 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.207 -11.763 -2.793 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.257 -10.496 -3.471 1.00 0.00 H new ATOM 0 HG23 THR A 107 -10.391 -10.938 -1.752 1.00 0.00 H new ATOM 1726 N GLU A 108 -13.245 -9.742 -1.995 1.00 0.00 N ATOM 1727 CA GLU A 108 -13.560 -8.870 -0.877 1.00 0.00 C ATOM 1728 C GLU A 108 -14.676 -7.895 -1.263 1.00 0.00 C ATOM 1729 O GLU A 108 -14.465 -6.684 -1.287 1.00 0.00 O ATOM 1730 CB GLU A 108 -12.317 -8.118 -0.399 1.00 0.00 C ATOM 1731 CG GLU A 108 -11.157 -9.083 -0.145 1.00 0.00 C ATOM 1732 CD GLU A 108 -11.352 -9.839 1.170 1.00 0.00 C ATOM 1733 OE1 GLU A 108 -12.452 -10.409 1.340 1.00 0.00 O ATOM 1734 OE2 GLU A 108 -10.396 -9.832 1.976 1.00 0.00 O ATOM 0 H GLU A 108 -13.239 -9.282 -2.906 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.911 -9.486 -0.049 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.024 -7.380 -1.146 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -12.547 -7.572 0.516 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.082 -9.793 -0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.219 -8.529 -0.115 1.00 0.00 H new ATOM 1741 N PRO A 109 -15.868 -8.476 -1.563 1.00 0.00 N ATOM 1742 CA PRO A 109 -17.017 -7.674 -1.947 1.00 0.00 C ATOM 1743 C PRO A 109 -17.626 -6.971 -0.732 1.00 0.00 C ATOM 1744 O PRO A 109 -17.897 -5.771 -0.774 1.00 0.00 O ATOM 1745 CB PRO A 109 -17.975 -8.648 -2.611 1.00 0.00 C ATOM 1746 CG PRO A 109 -17.537 -10.033 -2.162 1.00 0.00 C ATOM 1747 CD PRO A 109 -16.154 -9.908 -1.546 1.00 0.00 C ATOM 0 HA PRO A 109 -16.755 -6.866 -2.631 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -19.004 -8.448 -2.313 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -17.934 -8.558 -3.696 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -18.242 -10.440 -1.437 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -17.517 -10.720 -3.008 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -16.136 -10.303 -0.530 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -15.414 -10.466 -2.119 1.00 0.00 H new ATOM 1755 N GLN A 110 -17.822 -7.747 0.324 1.00 0.00 N ATOM 1756 CA GLN A 110 -18.394 -7.216 1.549 1.00 0.00 C ATOM 1757 C GLN A 110 -17.516 -6.089 2.099 1.00 0.00 C ATOM 1758 O GLN A 110 -17.980 -5.260 2.880 1.00 0.00 O ATOM 1759 CB GLN A 110 -18.584 -8.320 2.591 1.00 0.00 C ATOM 1760 CG GLN A 110 -17.253 -8.684 3.253 1.00 0.00 C ATOM 1761 CD GLN A 110 -17.323 -10.069 3.901 1.00 0.00 C ATOM 1762 OE1 GLN A 110 -17.377 -10.213 5.111 1.00 0.00 O ATOM 1763 NE2 GLN A 110 -17.321 -11.074 3.031 1.00 0.00 N ATOM 0 H GLN A 110 -17.594 -8.741 0.356 1.00 0.00 H new ATOM 0 HA GLN A 110 -19.378 -6.807 1.319 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -19.294 -7.991 3.350 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -19.012 -9.203 2.117 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -16.456 -8.666 2.509 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -17.002 -7.938 4.007 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -17.274 -10.882 2.030 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -17.367 -12.037 3.364 1.00 0.00 H new ATOM 1772 N ASN A 111 -16.262 -6.095 1.668 1.00 0.00 N ATOM 1773 CA ASN A 111 -15.316 -5.084 2.108 1.00 0.00 C ATOM 1774 C ASN A 111 -15.829 -3.700 1.701 1.00 0.00 C ATOM 1775 O ASN A 111 -15.923 -3.394 0.514 1.00 0.00 O ATOM 1776 CB ASN A 111 -13.947 -5.291 1.456 1.00 0.00 C ATOM 1777 CG ASN A 111 -12.915 -4.316 2.026 1.00 0.00 C ATOM 1778 OD1 ASN A 111 -13.227 -3.418 2.790 1.00 0.00 O ATOM 1779 ND2 ASN A 111 -11.671 -4.544 1.615 1.00 0.00 N ATOM 0 H ASN A 111 -15.880 -6.783 1.019 1.00 0.00 H new ATOM 0 HA ASN A 111 -15.216 -5.163 3.191 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -13.614 -6.316 1.620 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -14.029 -5.151 0.378 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -10.909 -3.949 1.941 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.479 -5.314 0.974 1.00 0.00 H new ATOM 1786 N ASN A 112 -16.147 -2.903 2.709 1.00 0.00 N ATOM 1787 CA ASN A 112 -16.647 -1.559 2.472 1.00 0.00 C ATOM 1788 C ASN A 112 -15.487 -0.654 2.055 1.00 0.00 C ATOM 1789 O ASN A 112 -15.623 0.152 1.135 1.00 0.00 O ATOM 1790 CB ASN A 112 -17.272 -0.973 3.740 1.00 0.00 C ATOM 1791 CG ASN A 112 -18.148 -2.009 4.448 1.00 0.00 C ATOM 1792 OD1 ASN A 112 -17.720 -2.708 5.351 1.00 0.00 O ATOM 1793 ND2 ASN A 112 -19.396 -2.065 3.991 1.00 0.00 N ATOM 0 H ASN A 112 -16.068 -3.161 3.693 1.00 0.00 H new ATOM 0 HA ASN A 112 -17.403 -1.614 1.689 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -16.486 -0.634 4.415 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -17.871 -0.099 3.484 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -20.060 -2.722 4.400 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -19.689 -1.450 3.231 1.00 0.00 H new ATOM 1800 N GLN A 113 -14.372 -0.816 2.752 1.00 0.00 N ATOM 1801 CA GLN A 113 -13.188 -0.023 2.465 1.00 0.00 C ATOM 1802 C GLN A 113 -12.870 -0.067 0.969 1.00 0.00 C ATOM 1803 O GLN A 113 -12.474 0.942 0.385 1.00 0.00 O ATOM 1804 CB GLN A 113 -11.994 -0.501 3.294 1.00 0.00 C ATOM 1805 CG GLN A 113 -12.079 0.023 4.729 1.00 0.00 C ATOM 1806 CD GLN A 113 -10.976 -0.583 5.599 1.00 0.00 C ATOM 1807 OE1 GLN A 113 -11.061 -1.709 6.061 1.00 0.00 O ATOM 1808 NE2 GLN A 113 -9.938 0.225 5.797 1.00 0.00 N ATOM 0 H GLN A 113 -14.263 -1.484 3.515 1.00 0.00 H new ATOM 0 HA GLN A 113 -13.391 1.011 2.743 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.965 -1.591 3.302 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -11.067 -0.161 2.833 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -11.992 1.110 4.729 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -13.054 -0.219 5.151 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -9.930 1.156 5.381 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -9.150 -0.087 6.365 1.00 0.00 H new ATOM 1817 N ALA A 114 -13.053 -1.245 0.391 1.00 0.00 N ATOM 1818 CA ALA A 114 -12.791 -1.432 -1.025 1.00 0.00 C ATOM 1819 C ALA A 114 -13.943 -0.838 -1.837 1.00 0.00 C ATOM 1820 O ALA A 114 -13.716 -0.089 -2.786 1.00 0.00 O ATOM 1821 CB ALA A 114 -12.583 -2.921 -1.313 1.00 0.00 C ATOM 0 H ALA A 114 -13.380 -2.079 0.878 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.879 -0.911 -1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -12.386 -3.062 -2.376 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -11.735 -3.288 -0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.480 -3.474 -1.033 1.00 0.00 H new ATOM 1827 N LYS A 115 -15.154 -1.194 -1.434 1.00 0.00 N ATOM 1828 CA LYS A 115 -16.342 -0.704 -2.112 1.00 0.00 C ATOM 1829 C LYS A 115 -16.201 0.799 -2.357 1.00 0.00 C ATOM 1830 O LYS A 115 -15.979 1.229 -3.489 1.00 0.00 O ATOM 1831 CB LYS A 115 -17.601 -1.084 -1.329 1.00 0.00 C ATOM 1832 CG LYS A 115 -18.051 -2.506 -1.670 1.00 0.00 C ATOM 1833 CD LYS A 115 -19.572 -2.640 -1.567 1.00 0.00 C ATOM 1834 CE LYS A 115 -20.164 -3.182 -2.869 1.00 0.00 C ATOM 1835 NZ LYS A 115 -21.529 -3.706 -2.638 1.00 0.00 N ATOM 0 H LYS A 115 -15.338 -1.816 -0.647 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.446 -1.178 -3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -17.405 -1.007 -0.259 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -18.402 -0.381 -1.558 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -17.727 -2.761 -2.679 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.573 -3.214 -0.993 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -19.827 -3.306 -0.743 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -20.012 -1.669 -1.340 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -20.193 -2.392 -3.619 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -19.526 -3.973 -3.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -21.917 -4.070 -3.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -21.492 -4.474 -1.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -22.138 -2.942 -2.282 1.00 0.00 H new ATOM 1849 N GLU A 116 -16.336 1.558 -1.279 1.00 0.00 N ATOM 1850 CA GLU A 116 -16.227 3.004 -1.363 1.00 0.00 C ATOM 1851 C GLU A 116 -15.091 3.396 -2.312 1.00 0.00 C ATOM 1852 O GLU A 116 -15.319 4.077 -3.310 1.00 0.00 O ATOM 1853 CB GLU A 116 -16.021 3.620 0.022 1.00 0.00 C ATOM 1854 CG GLU A 116 -17.325 4.219 0.554 1.00 0.00 C ATOM 1855 CD GLU A 116 -17.044 5.317 1.582 1.00 0.00 C ATOM 1856 OE1 GLU A 116 -16.126 6.123 1.315 1.00 0.00 O ATOM 1857 OE2 GLU A 116 -17.753 5.326 2.612 1.00 0.00 O ATOM 0 H GLU A 116 -16.520 1.198 -0.343 1.00 0.00 H new ATOM 0 HA GLU A 116 -17.162 3.397 -1.763 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -15.658 2.859 0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.255 4.394 -0.030 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -17.905 4.629 -0.273 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -17.930 3.435 1.010 1.00 0.00 H new ATOM 1864 N LEU A 117 -13.893 2.950 -1.964 1.00 0.00 N ATOM 1865 CA LEU A 117 -12.722 3.246 -2.772 1.00 0.00 C ATOM 1866 C LEU A 117 -13.087 3.132 -4.253 1.00 0.00 C ATOM 1867 O LEU A 117 -13.084 4.128 -4.975 1.00 0.00 O ATOM 1868 CB LEU A 117 -11.547 2.357 -2.358 1.00 0.00 C ATOM 1869 CG LEU A 117 -10.241 2.572 -3.126 1.00 0.00 C ATOM 1870 CD1 LEU A 117 -9.876 4.056 -3.183 1.00 0.00 C ATOM 1871 CD2 LEU A 117 -9.111 1.728 -2.532 1.00 0.00 C ATOM 0 H LEU A 117 -13.708 2.386 -1.134 1.00 0.00 H new ATOM 0 HA LEU A 117 -12.392 4.271 -2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -11.352 2.516 -1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -11.846 1.315 -2.474 1.00 0.00 H new ATOM 0 HG LEU A 117 -10.390 2.237 -4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.944 4.181 -3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -10.671 4.607 -3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.752 4.439 -2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -8.194 1.899 -3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -8.955 2.010 -1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -9.378 0.673 -2.586 1.00 0.00 H new ATOM 1883 N GLU A 118 -13.394 1.911 -4.662 1.00 0.00 N ATOM 1884 CA GLU A 118 -13.761 1.654 -6.045 1.00 0.00 C ATOM 1885 C GLU A 118 -14.602 2.808 -6.593 1.00 0.00 C ATOM 1886 O GLU A 118 -14.325 3.322 -7.677 1.00 0.00 O ATOM 1887 CB GLU A 118 -14.504 0.323 -6.177 1.00 0.00 C ATOM 1888 CG GLU A 118 -14.921 0.069 -7.627 1.00 0.00 C ATOM 1889 CD GLU A 118 -16.085 -0.921 -7.697 1.00 0.00 C ATOM 1890 OE1 GLU A 118 -17.235 -0.458 -7.536 1.00 0.00 O ATOM 1891 OE2 GLU A 118 -15.799 -2.119 -7.910 1.00 0.00 O ATOM 0 H GLU A 118 -13.396 1.087 -4.060 1.00 0.00 H new ATOM 0 HA GLU A 118 -12.848 1.582 -6.636 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -13.866 -0.490 -5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -15.386 0.330 -5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -15.210 1.009 -8.096 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -14.073 -0.321 -8.190 1.00 0.00 H new ATOM 1898 N ARG A 119 -15.612 3.182 -5.822 1.00 0.00 N ATOM 1899 CA ARG A 119 -16.494 4.266 -6.217 1.00 0.00 C ATOM 1900 C ARG A 119 -15.752 5.602 -6.164 1.00 0.00 C ATOM 1901 O ARG A 119 -15.893 6.432 -7.061 1.00 0.00 O ATOM 1902 CB ARG A 119 -17.722 4.336 -5.307 1.00 0.00 C ATOM 1903 CG ARG A 119 -18.872 3.499 -5.870 1.00 0.00 C ATOM 1904 CD ARG A 119 -20.213 4.212 -5.679 1.00 0.00 C ATOM 1905 NE ARG A 119 -21.079 3.425 -4.774 1.00 0.00 N ATOM 1906 CZ ARG A 119 -21.696 2.288 -5.123 1.00 0.00 C ATOM 1907 NH1 ARG A 119 -21.545 1.797 -6.362 1.00 0.00 N ATOM 1908 NH2 ARG A 119 -22.463 1.641 -4.236 1.00 0.00 N ATOM 0 H ARG A 119 -15.839 2.753 -4.925 1.00 0.00 H new ATOM 0 HA ARG A 119 -16.822 4.070 -7.238 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -17.461 3.978 -4.311 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -18.041 5.373 -5.200 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -18.704 3.310 -6.930 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -18.898 2.529 -5.374 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -20.050 5.207 -5.265 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -20.705 4.344 -6.643 1.00 0.00 H new ATOM 0 HE ARG A 119 -21.215 3.770 -3.824 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -20.961 2.289 -7.038 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -22.014 0.931 -6.628 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -22.578 2.014 -3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -22.932 0.776 -4.503 1.00 0.00 H new ATOM 1922 N LEU A 120 -14.975 5.770 -5.103 1.00 0.00 N ATOM 1923 CA LEU A 120 -14.210 6.991 -4.921 1.00 0.00 C ATOM 1924 C LEU A 120 -13.425 7.291 -6.200 1.00 0.00 C ATOM 1925 O LEU A 120 -13.466 8.410 -6.709 1.00 0.00 O ATOM 1926 CB LEU A 120 -13.333 6.893 -3.671 1.00 0.00 C ATOM 1927 CG LEU A 120 -14.073 6.890 -2.331 1.00 0.00 C ATOM 1928 CD1 LEU A 120 -13.278 6.131 -1.268 1.00 0.00 C ATOM 1929 CD2 LEU A 120 -14.408 8.316 -1.888 1.00 0.00 C ATOM 0 H LEU A 120 -14.859 5.080 -4.361 1.00 0.00 H new ATOM 0 HA LEU A 120 -14.877 7.836 -4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -12.740 5.981 -3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -12.634 7.729 -3.675 1.00 0.00 H new ATOM 0 HG LEU A 120 -15.018 6.363 -2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -13.826 6.144 -0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -13.133 5.100 -1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -12.308 6.608 -1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -14.933 8.286 -0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -13.487 8.889 -1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -15.042 8.790 -2.637 1.00 0.00 H new ATOM 1941 N ILE A 121 -12.730 6.272 -6.682 1.00 0.00 N ATOM 1942 CA ILE A 121 -11.937 6.413 -7.891 1.00 0.00 C ATOM 1943 C ILE A 121 -12.852 6.804 -9.053 1.00 0.00 C ATOM 1944 O ILE A 121 -12.526 7.700 -9.831 1.00 0.00 O ATOM 1945 CB ILE A 121 -11.124 5.142 -8.151 1.00 0.00 C ATOM 1946 CG1 ILE A 121 -10.091 4.918 -7.045 1.00 0.00 C ATOM 1947 CG2 ILE A 121 -10.481 5.176 -9.539 1.00 0.00 C ATOM 1948 CD1 ILE A 121 -10.266 3.541 -6.402 1.00 0.00 C ATOM 0 H ILE A 121 -12.699 5.345 -6.257 1.00 0.00 H new ATOM 0 HA ILE A 121 -11.206 7.214 -7.775 1.00 0.00 H new ATOM 0 HB ILE A 121 -11.805 4.291 -8.134 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.086 5.005 -7.458 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -10.192 5.693 -6.286 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -9.910 4.262 -9.698 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -11.259 5.254 -10.299 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -9.816 6.037 -9.611 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -9.519 3.407 -5.619 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -11.263 3.466 -5.969 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.140 2.767 -7.159 1.00 0.00 H new ATOM 1960 N ASP A 122 -13.981 6.114 -9.135 1.00 0.00 N ATOM 1961 CA ASP A 122 -14.945 6.379 -10.188 1.00 0.00 C ATOM 1962 C ASP A 122 -15.253 7.877 -10.229 1.00 0.00 C ATOM 1963 O ASP A 122 -15.525 8.430 -11.293 1.00 0.00 O ATOM 1964 CB ASP A 122 -16.258 5.634 -9.933 1.00 0.00 C ATOM 1965 CG ASP A 122 -17.115 5.391 -11.176 1.00 0.00 C ATOM 1966 OD1 ASP A 122 -16.914 4.328 -11.805 1.00 0.00 O ATOM 1967 OD2 ASP A 122 -17.952 6.271 -11.470 1.00 0.00 O ATOM 0 H ASP A 122 -14.249 5.372 -8.489 1.00 0.00 H new ATOM 0 HA ASP A 122 -14.515 6.041 -11.131 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -16.029 4.672 -9.474 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -16.845 6.200 -9.210 1.00 0.00 H new ATOM 1972 N LYS A 123 -15.198 8.491 -9.056 1.00 0.00 N ATOM 1973 CA LYS A 123 -15.467 9.915 -8.944 1.00 0.00 C ATOM 1974 C LYS A 123 -14.212 10.699 -9.338 1.00 0.00 C ATOM 1975 O LYS A 123 -14.272 11.587 -10.186 1.00 0.00 O ATOM 1976 CB LYS A 123 -15.990 10.254 -7.547 1.00 0.00 C ATOM 1977 CG LYS A 123 -17.490 9.971 -7.440 1.00 0.00 C ATOM 1978 CD LYS A 123 -17.903 9.749 -5.984 1.00 0.00 C ATOM 1979 CE LYS A 123 -19.350 10.190 -5.752 1.00 0.00 C ATOM 1980 NZ LYS A 123 -20.118 9.115 -5.084 1.00 0.00 N ATOM 0 H LYS A 123 -14.971 8.029 -8.175 1.00 0.00 H new ATOM 0 HA LYS A 123 -16.258 10.209 -9.635 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -15.452 9.669 -6.801 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -15.798 11.304 -7.328 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -18.052 10.806 -7.858 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -17.741 9.090 -8.031 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -17.795 8.695 -5.728 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -17.239 10.307 -5.324 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -19.368 11.092 -5.140 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -19.817 10.441 -6.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -21.098 9.430 -4.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -20.116 8.264 -5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -19.681 8.895 -4.166 1.00 0.00 H new ATOM 1994 N ALA A 124 -13.107 10.341 -8.702 1.00 0.00 N ATOM 1995 CA ALA A 124 -11.841 10.999 -8.975 1.00 0.00 C ATOM 1996 C ALA A 124 -11.712 11.244 -10.480 1.00 0.00 C ATOM 1997 O ALA A 124 -11.637 12.390 -10.922 1.00 0.00 O ATOM 1998 CB ALA A 124 -10.693 10.150 -8.423 1.00 0.00 C ATOM 0 H ALA A 124 -13.062 9.604 -7.998 1.00 0.00 H new ATOM 0 HA ALA A 124 -11.798 11.968 -8.478 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -9.744 10.644 -8.628 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -10.814 10.030 -7.346 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -10.703 9.170 -8.901 1.00 0.00 H new ATOM 2004 N MET A 125 -11.689 10.150 -11.225 1.00 0.00 N ATOM 2005 CA MET A 125 -11.571 10.231 -12.671 1.00 0.00 C ATOM 2006 C MET A 125 -12.455 11.348 -13.232 1.00 0.00 C ATOM 2007 O MET A 125 -11.957 12.287 -13.850 1.00 0.00 O ATOM 2008 CB MET A 125 -11.980 8.894 -13.294 1.00 0.00 C ATOM 2009 CG MET A 125 -11.223 7.733 -12.645 1.00 0.00 C ATOM 2010 SD MET A 125 -10.558 6.659 -13.906 1.00 0.00 S ATOM 2011 CE MET A 125 -11.051 5.073 -13.253 1.00 0.00 C ATOM 0 H MET A 125 -11.750 9.202 -10.855 1.00 0.00 H new ATOM 0 HA MET A 125 -10.534 10.455 -12.919 1.00 0.00 H new ATOM 0 HB2 MET A 125 -13.053 8.746 -13.174 1.00 0.00 H new ATOM 0 HB3 MET A 125 -11.779 8.911 -14.365 1.00 0.00 H new ATOM 0 HG2 MET A 125 -10.417 8.117 -12.020 1.00 0.00 H new ATOM 0 HG3 MET A 125 -11.891 7.171 -11.992 1.00 0.00 H new ATOM 0 HE1 MET A 125 -10.170 4.532 -12.907 1.00 0.00 H new ATOM 0 HE2 MET A 125 -11.737 5.220 -12.419 1.00 0.00 H new ATOM 0 HE3 MET A 125 -11.547 4.496 -14.034 1.00 0.00 H new ATOM 2021 N LYS A 126 -13.751 11.206 -12.996 1.00 0.00 N ATOM 2022 CA LYS A 126 -14.709 12.191 -13.470 1.00 0.00 C ATOM 2023 C LYS A 126 -14.269 13.584 -13.015 1.00 0.00 C ATOM 2024 O LYS A 126 -14.269 14.528 -13.804 1.00 0.00 O ATOM 2025 CB LYS A 126 -16.124 11.818 -13.026 1.00 0.00 C ATOM 2026 CG LYS A 126 -17.040 11.607 -14.234 1.00 0.00 C ATOM 2027 CD LYS A 126 -17.877 12.857 -14.512 1.00 0.00 C ATOM 2028 CE LYS A 126 -19.037 12.540 -15.459 1.00 0.00 C ATOM 2029 NZ LYS A 126 -20.151 13.492 -15.250 1.00 0.00 N ATOM 0 H LYS A 126 -14.160 10.425 -12.483 1.00 0.00 H new ATOM 0 HA LYS A 126 -14.734 12.204 -14.560 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -16.093 10.909 -12.426 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -16.529 12.606 -12.391 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -16.441 11.364 -15.111 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -17.698 10.757 -14.052 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -18.266 13.254 -13.575 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -17.247 13.631 -14.949 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -18.695 12.592 -16.493 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -19.385 11.521 -15.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -20.930 13.263 -15.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -20.488 13.422 -14.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -19.819 14.460 -15.434 1.00 0.00 H new ATOM 2043 N LYS A 127 -13.905 13.669 -11.743 1.00 0.00 N ATOM 2044 CA LYS A 127 -13.464 14.931 -11.175 1.00 0.00 C ATOM 2045 C LYS A 127 -12.046 15.238 -11.662 1.00 0.00 C ATOM 2046 O LYS A 127 -11.073 14.993 -10.949 1.00 0.00 O ATOM 2047 CB LYS A 127 -13.597 14.907 -9.651 1.00 0.00 C ATOM 2048 CG LYS A 127 -15.063 14.767 -9.231 1.00 0.00 C ATOM 2049 CD LYS A 127 -15.230 13.667 -8.181 1.00 0.00 C ATOM 2050 CE LYS A 127 -16.401 13.976 -7.245 1.00 0.00 C ATOM 2051 NZ LYS A 127 -15.972 13.888 -5.832 1.00 0.00 N ATOM 0 H LYS A 127 -13.907 12.885 -11.091 1.00 0.00 H new ATOM 0 HA LYS A 127 -14.102 15.746 -11.517 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -13.018 14.078 -9.245 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -13.180 15.823 -9.231 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -15.422 15.715 -8.830 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -15.675 14.538 -10.104 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -15.397 12.710 -8.675 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -14.312 13.570 -7.601 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -16.787 14.974 -7.453 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -17.215 13.275 -7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -16.778 14.100 -5.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -15.626 12.928 -5.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -15.210 14.574 -5.657 1.00 0.00 H new