USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 789 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 GLN : amide:sc= -0.0468 K(o=0.11,f=-0.66) USER MOD Set 1.2: A 79 HIS : no HD1:sc= 0.0686 X(o=0.11,f=-0.085) USER MOD Set 1.3: A 98 SER OG : rot 180:sc= 0 USER MOD Set 1.4: A 100 LYS NZ :NH3+ 161:sc= 0.0877 (180deg=0) USER MOD Set 2.1: A 66 TYR OH : rot 180:sc= -0.0191 USER MOD Set 2.2: A 70 LYS NZ :NH3+ 174:sc= 1.27 (180deg=1.16) USER MOD Set 3.1: A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 113 THR OG1 : rot -49:sc= 0.364 USER MOD Single : A 0 MET CE :methyl 175:sc= 0 (180deg=-0.0742) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -8 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -58:sc= 1.23 USER MOD Single : A 50 GLN : amide:sc= 0.655 K(o=0.65,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -165:sc= 1.24 (180deg=0.846) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0284 USER MOD Single : A 54 TYR OH : rot -34:sc= 0.107 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.411 USER MOD Single : A 57 LYS NZ :NH3+ 164:sc= -0.0332 (180deg=-0.235) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 1.22 K(o=1.2,f=0) USER MOD Single : A 68 MET CE :methyl -163:sc=-0.00461 (180deg=-0.753) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0.944 K(o=0.94,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 69:sc= 0.416 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -0.113 K(o=-0.11,f=-1.3) USER MOD Single : A 104 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1.13) USER MOD Single : A 106 TYR OH : rot -8:sc= 1.26 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -179:sc= -0.031 (180deg=-0.032) USER MOD Single : A 109 MET CE :methyl 156:sc= -0.35 (180deg=-1.7) USER MOD Single : A 111 SER OG : rot 81:sc= 0.551 USER MOD Single : A 112 MET CE :methyl -162:sc= -0.321 (180deg=-1.06) USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A -8 -0.813 -3.292 12.928 1.00 0.00 N ATOM 59 CA PHE A -8 -0.983 -3.209 11.474 1.00 0.00 C ATOM 60 C PHE A -8 -0.145 -4.165 10.615 1.00 0.00 C ATOM 61 O PHE A -8 -0.665 -4.853 9.733 1.00 0.00 O ATOM 62 CB PHE A -8 -0.883 -1.745 11.014 1.00 0.00 C ATOM 63 CG PHE A -8 -0.571 -1.571 9.540 1.00 0.00 C ATOM 64 CD1 PHE A -8 -1.614 -1.544 8.597 1.00 0.00 C ATOM 65 CD2 PHE A -8 0.768 -1.501 9.106 1.00 0.00 C ATOM 66 CE1 PHE A -8 -1.315 -1.462 7.226 1.00 0.00 C ATOM 67 CE2 PHE A -8 1.064 -1.429 7.735 1.00 0.00 C ATOM 68 CZ PHE A -8 0.022 -1.409 6.796 1.00 0.00 C ATOM 0 H1 PHE A -8 -1.433 -2.597 13.390 1.00 0.00 H new ATOM 0 H2 PHE A -8 -1.062 -4.248 13.253 1.00 0.00 H new ATOM 0 H3 PHE A -8 0.177 -3.090 13.174 1.00 0.00 H new ATOM 0 HA PHE A -8 -1.989 -3.586 11.290 1.00 0.00 H new ATOM 0 HB2 PHE A -8 -1.824 -1.242 11.235 1.00 0.00 H new ATOM 0 HB3 PHE A -8 -0.110 -1.245 11.598 1.00 0.00 H new ATOM 0 HD1 PHE A -8 -2.642 -1.586 8.925 1.00 0.00 H new ATOM 0 HD2 PHE A -8 1.569 -1.503 9.830 1.00 0.00 H new ATOM 0 HE1 PHE A -8 -2.115 -1.440 6.501 1.00 0.00 H new ATOM 0 HE2 PHE A -8 2.091 -1.389 7.404 1.00 0.00 H new ATOM 0 HZ PHE A -8 0.247 -1.353 5.741 1.00 0.00 H new ATOM 78 N TRP A -7 1.160 -4.232 10.899 1.00 0.00 N ATOM 79 CA TRP A -7 2.104 -5.011 10.095 1.00 0.00 C ATOM 80 C TRP A -7 1.851 -6.523 10.162 1.00 0.00 C ATOM 81 O TRP A -7 2.101 -7.227 9.191 1.00 0.00 O ATOM 82 CB TRP A -7 3.540 -4.638 10.476 1.00 0.00 C ATOM 83 CG TRP A -7 4.616 -5.361 9.722 1.00 0.00 C ATOM 84 CD1 TRP A -7 5.213 -6.507 10.122 1.00 0.00 C ATOM 85 CD2 TRP A -7 5.043 -5.162 8.336 1.00 0.00 C ATOM 86 NE1 TRP A -7 6.059 -6.967 9.132 1.00 0.00 N ATOM 87 CE2 TRP A -7 5.981 -6.187 7.998 1.00 0.00 C ATOM 88 CE3 TRP A -7 4.743 -4.216 7.329 1.00 0.00 C ATOM 89 CZ2 TRP A -7 6.601 -6.258 6.742 1.00 0.00 C ATOM 90 CZ3 TRP A -7 5.372 -4.270 6.069 1.00 0.00 C ATOM 91 CH2 TRP A -7 6.298 -5.285 5.775 1.00 0.00 C ATOM 0 H TRP A -7 1.589 -3.750 11.689 1.00 0.00 H new ATOM 0 HA TRP A -7 1.945 -4.750 9.049 1.00 0.00 H new ATOM 0 HB2 TRP A -7 3.671 -3.567 10.324 1.00 0.00 H new ATOM 0 HB3 TRP A -7 3.676 -4.828 11.541 1.00 0.00 H new ATOM 0 HD1 TRP A -7 5.052 -6.991 11.074 1.00 0.00 H new ATOM 0 HE1 TRP A -7 6.665 -7.782 9.228 1.00 0.00 H new ATOM 0 HE3 TRP A -7 4.020 -3.439 7.529 1.00 0.00 H new ATOM 0 HZ2 TRP A -7 7.302 -7.050 6.521 1.00 0.00 H new ATOM 0 HZ3 TRP A -7 5.140 -3.525 5.323 1.00 0.00 H new ATOM 0 HH2 TRP A -7 6.776 -5.317 4.807 1.00 0.00 H new ATOM 102 N GLU A -6 1.271 -7.028 11.255 1.00 0.00 N ATOM 103 CA GLU A -6 0.867 -8.438 11.385 1.00 0.00 C ATOM 104 C GLU A -6 -0.199 -8.817 10.340 1.00 0.00 C ATOM 105 O GLU A -6 -0.134 -9.892 9.738 1.00 0.00 O ATOM 106 CB GLU A -6 0.308 -8.690 12.799 1.00 0.00 C ATOM 107 CG GLU A -6 1.309 -8.393 13.931 1.00 0.00 C ATOM 108 CD GLU A -6 0.675 -8.382 15.339 1.00 0.00 C ATOM 109 OE1 GLU A -6 -0.560 -8.206 15.482 1.00 0.00 O ATOM 110 OE2 GLU A -6 1.433 -8.523 16.330 1.00 0.00 O ATOM 0 H GLU A -6 1.066 -6.468 12.083 1.00 0.00 H new ATOM 0 HA GLU A -6 1.748 -9.057 11.215 1.00 0.00 H new ATOM 0 HB2 GLU A -6 -0.580 -8.074 12.942 1.00 0.00 H new ATOM 0 HB3 GLU A -6 -0.010 -9.730 12.873 1.00 0.00 H new ATOM 0 HG2 GLU A -6 2.103 -9.140 13.906 1.00 0.00 H new ATOM 0 HG3 GLU A -6 1.776 -7.426 13.746 1.00 0.00 H new ATOM 117 N TYR A -5 -1.148 -7.910 10.077 1.00 0.00 N ATOM 118 CA TYR A -5 -2.096 -8.007 8.965 1.00 0.00 C ATOM 119 C TYR A -5 -1.514 -7.781 7.568 1.00 0.00 C ATOM 120 O TYR A -5 -1.814 -8.520 6.628 1.00 0.00 O ATOM 121 CB TYR A -5 -3.343 -7.152 9.225 1.00 0.00 C ATOM 122 CG TYR A -5 -4.347 -7.796 10.155 1.00 0.00 C ATOM 123 CD1 TYR A -5 -5.346 -8.631 9.617 1.00 0.00 C ATOM 124 CD2 TYR A -5 -4.279 -7.579 11.544 1.00 0.00 C ATOM 125 CE1 TYR A -5 -6.286 -9.238 10.466 1.00 0.00 C ATOM 126 CE2 TYR A -5 -5.223 -8.185 12.398 1.00 0.00 C ATOM 127 CZ TYR A -5 -6.236 -9.010 11.858 1.00 0.00 C ATOM 128 OH TYR A -5 -7.170 -9.584 12.666 1.00 0.00 O ATOM 0 H TYR A -5 -1.279 -7.072 10.644 1.00 0.00 H new ATOM 0 HA TYR A -5 -2.388 -9.057 8.943 1.00 0.00 H new ATOM 0 HB2 TYR A -5 -3.034 -6.196 9.647 1.00 0.00 H new ATOM 0 HB3 TYR A -5 -3.830 -6.938 8.273 1.00 0.00 H new ATOM 0 HD1 TYR A -5 -5.389 -8.804 8.552 1.00 0.00 H new ATOM 0 HD2 TYR A -5 -3.504 -6.949 11.955 1.00 0.00 H new ATOM 0 HE1 TYR A -5 -7.049 -9.881 10.053 1.00 0.00 H new ATOM 0 HE2 TYR A -5 -5.172 -8.019 13.464 1.00 0.00 H new ATOM 0 HH TYR A -5 -6.997 -9.331 13.597 1.00 0.00 H new ATOM 138 N TRP A -4 -0.649 -6.774 7.435 1.00 0.00 N ATOM 139 CA TRP A -4 -0.031 -6.401 6.160 1.00 0.00 C ATOM 140 C TRP A -4 0.943 -7.482 5.658 1.00 0.00 C ATOM 141 O TRP A -4 0.999 -7.763 4.464 1.00 0.00 O ATOM 142 CB TRP A -4 0.687 -5.062 6.341 1.00 0.00 C ATOM 143 CG TRP A -4 1.057 -4.416 5.050 1.00 0.00 C ATOM 144 CD1 TRP A -4 2.187 -4.659 4.352 1.00 0.00 C ATOM 145 CD2 TRP A -4 0.178 -3.690 4.137 1.00 0.00 C ATOM 146 NE1 TRP A -4 2.104 -4.048 3.118 1.00 0.00 N ATOM 147 CE2 TRP A -4 0.875 -3.465 2.916 1.00 0.00 C ATOM 148 CE3 TRP A -4 -1.147 -3.213 4.215 1.00 0.00 C ATOM 149 CZ2 TRP A -4 0.296 -2.793 1.830 1.00 0.00 C ATOM 150 CZ3 TRP A -4 -1.742 -2.539 3.134 1.00 0.00 C ATOM 151 CH2 TRP A -4 -1.026 -2.328 1.944 1.00 0.00 C ATOM 0 H TRP A -4 -0.355 -6.188 8.217 1.00 0.00 H new ATOM 0 HA TRP A -4 -0.809 -6.307 5.402 1.00 0.00 H new ATOM 0 HB2 TRP A -4 0.046 -4.387 6.907 1.00 0.00 H new ATOM 0 HB3 TRP A -4 1.588 -5.217 6.934 1.00 0.00 H new ATOM 0 HD1 TRP A -4 3.025 -5.241 4.705 1.00 0.00 H new ATOM 0 HE1 TRP A -4 2.863 -4.031 2.437 1.00 0.00 H new ATOM 0 HE3 TRP A -4 -1.714 -3.368 5.121 1.00 0.00 H new ATOM 0 HZ2 TRP A -4 0.857 -2.635 0.920 1.00 0.00 H new ATOM 0 HZ3 TRP A -4 -2.757 -2.181 3.219 1.00 0.00 H new ATOM 0 HH2 TRP A -4 -1.490 -1.810 1.118 1.00 0.00 H new ATOM 162 N LEU A -3 1.653 -8.165 6.559 1.00 0.00 N ATOM 163 CA LEU A -3 2.527 -9.296 6.239 1.00 0.00 C ATOM 164 C LEU A -3 1.766 -10.456 5.570 1.00 0.00 C ATOM 165 O LEU A -3 2.307 -11.138 4.698 1.00 0.00 O ATOM 166 CB LEU A -3 3.206 -9.741 7.549 1.00 0.00 C ATOM 167 CG LEU A -3 4.293 -10.816 7.386 1.00 0.00 C ATOM 168 CD1 LEU A -3 5.537 -10.218 6.730 1.00 0.00 C ATOM 169 CD2 LEU A -3 4.695 -11.355 8.760 1.00 0.00 C ATOM 0 H LEU A -3 1.636 -7.942 7.554 1.00 0.00 H new ATOM 0 HA LEU A -3 3.275 -8.986 5.509 1.00 0.00 H new ATOM 0 HB2 LEU A -3 3.650 -8.867 8.026 1.00 0.00 H new ATOM 0 HB3 LEU A -3 2.441 -10.120 8.227 1.00 0.00 H new ATOM 0 HG LEU A -3 3.892 -11.616 6.763 1.00 0.00 H new ATOM 0 HD11 LEU A -3 6.298 -10.991 6.621 1.00 0.00 H new ATOM 0 HD12 LEU A -3 5.277 -9.824 5.748 1.00 0.00 H new ATOM 0 HD13 LEU A -3 5.925 -9.412 7.353 1.00 0.00 H new ATOM 0 HD21 LEU A -3 5.466 -12.117 8.641 1.00 0.00 H new ATOM 0 HD22 LEU A -3 5.082 -10.540 9.372 1.00 0.00 H new ATOM 0 HD23 LEU A -3 3.824 -11.793 9.248 1.00 0.00 H new ATOM 181 N ARG A -2 0.490 -10.656 5.927 1.00 0.00 N ATOM 182 CA ARG A -2 -0.357 -11.718 5.375 1.00 0.00 C ATOM 183 C ARG A -2 -0.797 -11.441 3.929 1.00 0.00 C ATOM 184 O ARG A -2 -1.111 -12.386 3.208 1.00 0.00 O ATOM 185 CB ARG A -2 -1.521 -11.966 6.352 1.00 0.00 C ATOM 186 CG ARG A -2 -2.320 -13.253 6.100 1.00 0.00 C ATOM 187 CD ARG A -2 -1.430 -14.504 6.174 1.00 0.00 C ATOM 188 NE ARG A -2 -2.206 -15.757 6.185 1.00 0.00 N ATOM 189 CZ ARG A -2 -1.727 -16.962 5.930 1.00 0.00 C ATOM 190 NH1 ARG A -2 -0.472 -17.181 5.657 1.00 0.00 N ATOM 191 NH2 ARG A -2 -2.521 -17.989 5.957 1.00 0.00 N ATOM 0 H ARG A -2 0.012 -10.076 6.617 1.00 0.00 H new ATOM 0 HA ARG A -2 0.219 -12.639 5.288 1.00 0.00 H new ATOM 0 HB2 ARG A -2 -1.123 -11.996 7.366 1.00 0.00 H new ATOM 0 HB3 ARG A -2 -2.203 -11.118 6.303 1.00 0.00 H new ATOM 0 HG2 ARG A -2 -3.121 -13.333 6.835 1.00 0.00 H new ATOM 0 HG3 ARG A -2 -2.792 -13.201 5.119 1.00 0.00 H new ATOM 0 HD2 ARG A -2 -0.749 -14.511 5.323 1.00 0.00 H new ATOM 0 HD3 ARG A -2 -0.816 -14.455 7.073 1.00 0.00 H new ATOM 0 HE ARG A -2 -3.199 -15.688 6.409 1.00 0.00 H new ATOM 0 HH11 ARG A -2 0.188 -16.404 5.633 1.00 0.00 H new ATOM 0 HH12 ARG A -2 -0.149 -18.130 5.467 1.00 0.00 H new ATOM 0 HH21 ARG A -2 -3.510 -17.864 6.174 1.00 0.00 H new ATOM 0 HH22 ARG A -2 -2.156 -18.921 5.761 1.00 0.00 H new ATOM 205 N LEU A -1 -0.730 -10.182 3.469 1.00 0.00 N ATOM 206 CA LEU A -1 -0.907 -9.839 2.052 1.00 0.00 C ATOM 207 C LEU A -1 0.213 -10.444 1.201 1.00 0.00 C ATOM 208 O LEU A -1 -0.078 -11.178 0.259 1.00 0.00 O ATOM 209 CB LEU A -1 -0.924 -8.317 1.831 1.00 0.00 C ATOM 210 CG LEU A -1 -2.177 -7.591 2.328 1.00 0.00 C ATOM 211 CD1 LEU A -1 -1.901 -6.092 2.330 1.00 0.00 C ATOM 212 CD2 LEU A -1 -3.369 -7.842 1.403 1.00 0.00 C ATOM 0 H LEU A -1 -0.552 -9.376 4.068 1.00 0.00 H new ATOM 0 HA LEU A -1 -1.869 -10.252 1.748 1.00 0.00 H new ATOM 0 HB2 LEU A -1 -0.055 -7.886 2.328 1.00 0.00 H new ATOM 0 HB3 LEU A -1 -0.811 -8.121 0.765 1.00 0.00 H new ATOM 0 HG LEU A -1 -2.414 -7.962 3.325 1.00 0.00 H new ATOM 0 HD11 LEU A -1 -2.785 -5.560 2.682 1.00 0.00 H new ATOM 0 HD12 LEU A -1 -1.061 -5.878 2.991 1.00 0.00 H new ATOM 0 HD13 LEU A -1 -1.659 -5.765 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A -1 -4.243 -7.313 1.784 1.00 0.00 H new ATOM 0 HD22 LEU A -1 -3.134 -7.482 0.401 1.00 0.00 H new ATOM 0 HD23 LEU A -1 -3.581 -8.911 1.364 1.00 0.00 H new ATOM 224 N MET A 0 1.483 -10.164 1.513 1.00 0.00 N ATOM 225 CA MET A 0 2.599 -10.581 0.649 1.00 0.00 C ATOM 226 C MET A 0 2.805 -12.106 0.620 1.00 0.00 C ATOM 227 O MET A 0 3.317 -12.641 -0.363 1.00 0.00 O ATOM 228 CB MET A 0 3.892 -9.838 1.019 1.00 0.00 C ATOM 229 CG MET A 0 4.468 -10.199 2.395 1.00 0.00 C ATOM 230 SD MET A 0 6.119 -9.522 2.719 1.00 0.00 S ATOM 231 CE MET A 0 5.691 -7.774 2.923 1.00 0.00 C ATOM 0 H MET A 0 1.765 -9.654 2.350 1.00 0.00 H new ATOM 0 HA MET A 0 2.326 -10.300 -0.368 1.00 0.00 H new ATOM 0 HB2 MET A 0 4.645 -10.047 0.259 1.00 0.00 H new ATOM 0 HB3 MET A 0 3.699 -8.766 0.991 1.00 0.00 H new ATOM 0 HG2 MET A 0 3.785 -9.842 3.166 1.00 0.00 H new ATOM 0 HG3 MET A 0 4.510 -11.285 2.484 1.00 0.00 H new ATOM 0 HE1 MET A 0 6.579 -7.214 3.218 1.00 0.00 H new ATOM 0 HE2 MET A 0 5.310 -7.380 1.981 1.00 0.00 H new ATOM 0 HE3 MET A 0 4.926 -7.674 3.693 1.00 0.00 H new ATOM 241 N GLU A 1 2.353 -12.818 1.658 1.00 0.00 N ATOM 242 CA GLU A 1 2.305 -14.289 1.690 1.00 0.00 C ATOM 243 C GLU A 1 1.311 -14.905 0.681 1.00 0.00 C ATOM 244 O GLU A 1 1.537 -16.023 0.210 1.00 0.00 O ATOM 245 CB GLU A 1 1.962 -14.760 3.112 1.00 0.00 C ATOM 246 CG GLU A 1 3.120 -14.540 4.099 1.00 0.00 C ATOM 247 CD GLU A 1 2.795 -15.004 5.534 1.00 0.00 C ATOM 248 OE1 GLU A 1 1.635 -15.384 5.825 1.00 0.00 O ATOM 249 OE2 GLU A 1 3.719 -15.005 6.385 1.00 0.00 O ATOM 0 H GLU A 1 2.005 -12.385 2.513 1.00 0.00 H new ATOM 0 HA GLU A 1 3.294 -14.638 1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.080 -14.225 3.466 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.705 -15.819 3.089 1.00 0.00 H new ATOM 0 HG2 GLU A 1 3.999 -15.076 3.742 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.377 -13.481 4.116 1.00 0.00 H new ATOM 678 N LEU A 33 8.910 -9.319 -11.434 1.00 0.00 N ATOM 679 CA LEU A 33 8.774 -7.875 -11.672 1.00 0.00 C ATOM 680 C LEU A 33 7.463 -7.454 -12.363 1.00 0.00 C ATOM 681 O LEU A 33 6.925 -8.146 -13.230 1.00 0.00 O ATOM 682 CB LEU A 33 9.959 -7.360 -12.514 1.00 0.00 C ATOM 683 CG LEU A 33 11.356 -7.457 -11.876 1.00 0.00 C ATOM 684 CD1 LEU A 33 12.398 -7.000 -12.898 1.00 0.00 C ATOM 685 CD2 LEU A 33 11.501 -6.573 -10.636 1.00 0.00 C ATOM 0 HA LEU A 33 8.762 -7.427 -10.678 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.975 -7.914 -13.453 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.771 -6.316 -12.763 1.00 0.00 H new ATOM 0 HG LEU A 33 11.501 -8.495 -11.575 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.393 -7.064 -12.457 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.349 -7.641 -13.779 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.196 -5.969 -13.188 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.506 -6.681 -10.228 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.331 -5.532 -10.910 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.770 -6.875 -9.886 1.00 0.00 H new ATOM 697 N VAL A 34 7.037 -6.239 -12.017 1.00 0.00 N ATOM 698 CA VAL A 34 5.986 -5.400 -12.613 1.00 0.00 C ATOM 699 C VAL A 34 6.476 -3.956 -12.735 1.00 0.00 C ATOM 700 O VAL A 34 7.509 -3.601 -12.155 1.00 0.00 O ATOM 701 CB VAL A 34 4.629 -5.484 -11.871 1.00 0.00 C ATOM 702 CG1 VAL A 34 4.265 -6.911 -11.480 1.00 0.00 C ATOM 703 CG2 VAL A 34 4.548 -4.646 -10.588 1.00 0.00 C ATOM 0 H VAL A 34 7.466 -5.762 -11.224 1.00 0.00 H new ATOM 0 HA VAL A 34 5.789 -5.796 -13.609 1.00 0.00 H new ATOM 0 HB VAL A 34 3.930 -5.082 -12.605 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.305 -6.913 -10.963 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.196 -7.527 -12.376 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.033 -7.315 -10.820 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.563 -4.766 -10.137 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.312 -4.980 -9.886 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.711 -3.595 -10.829 1.00 0.00 H new ATOM 713 N ARG A 35 5.738 -3.100 -13.453 1.00 0.00 N ATOM 714 CA ARG A 35 6.027 -1.658 -13.509 1.00 0.00 C ATOM 715 C ARG A 35 4.925 -0.837 -12.816 1.00 0.00 C ATOM 716 O ARG A 35 3.931 -0.497 -13.464 1.00 0.00 O ATOM 717 CB ARG A 35 6.326 -1.230 -14.958 1.00 0.00 C ATOM 718 CG ARG A 35 6.938 0.179 -14.974 1.00 0.00 C ATOM 719 CD ARG A 35 7.464 0.565 -16.359 1.00 0.00 C ATOM 720 NE ARG A 35 8.254 1.806 -16.267 1.00 0.00 N ATOM 721 CZ ARG A 35 8.041 2.969 -16.849 1.00 0.00 C ATOM 722 NH1 ARG A 35 7.064 3.173 -17.690 1.00 0.00 N ATOM 723 NH2 ARG A 35 8.824 3.968 -16.578 1.00 0.00 N ATOM 0 H ARG A 35 4.930 -3.382 -14.008 1.00 0.00 H new ATOM 0 HA ARG A 35 6.932 -1.446 -12.939 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.012 -1.939 -15.421 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.409 -1.244 -15.547 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.187 0.903 -14.658 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.752 0.228 -14.251 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.080 -0.240 -16.761 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.631 0.704 -17.048 1.00 0.00 H new ATOM 0 HE ARG A 35 9.080 1.758 -15.670 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.424 2.413 -17.922 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.940 4.092 -18.115 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.595 3.848 -15.921 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.669 4.873 -17.022 1.00 0.00 H new ATOM 737 N PRO A 36 5.050 -0.538 -11.506 1.00 0.00 N ATOM 738 CA PRO A 36 4.096 0.319 -10.796 1.00 0.00 C ATOM 739 C PRO A 36 4.061 1.755 -11.351 1.00 0.00 C ATOM 740 O PRO A 36 5.069 2.270 -11.846 1.00 0.00 O ATOM 741 CB PRO A 36 4.509 0.265 -9.322 1.00 0.00 C ATOM 742 CG PRO A 36 5.984 -0.118 -9.351 1.00 0.00 C ATOM 743 CD PRO A 36 6.108 -0.983 -10.602 1.00 0.00 C ATOM 0 HA PRO A 36 3.074 -0.037 -10.930 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.359 1.227 -8.832 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.920 -0.468 -8.772 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.625 0.762 -9.407 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.273 -0.666 -8.455 1.00 0.00 H new ATOM 0 HD2 PRO A 36 7.089 -0.865 -11.062 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.995 -2.039 -10.359 1.00 0.00 H new ATOM 751 N LYS A 37 2.889 2.404 -11.275 1.00 0.00 N ATOM 752 CA LYS A 37 2.631 3.751 -11.825 1.00 0.00 C ATOM 753 C LYS A 37 3.519 4.843 -11.189 1.00 0.00 C ATOM 754 O LYS A 37 3.928 4.682 -10.037 1.00 0.00 O ATOM 755 CB LYS A 37 1.127 4.095 -11.717 1.00 0.00 C ATOM 756 CG LYS A 37 0.565 4.226 -10.289 1.00 0.00 C ATOM 757 CD LYS A 37 -0.813 4.912 -10.267 1.00 0.00 C ATOM 758 CE LYS A 37 -1.918 4.091 -10.945 1.00 0.00 C ATOM 759 NZ LYS A 37 -3.178 4.870 -11.070 1.00 0.00 N ATOM 0 H LYS A 37 2.071 1.999 -10.819 1.00 0.00 H new ATOM 0 HA LYS A 37 2.906 3.729 -12.879 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.951 5.033 -12.243 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.560 3.325 -12.240 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.483 3.236 -9.840 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.263 4.797 -9.677 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.097 5.104 -9.233 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.736 5.880 -10.762 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.584 3.776 -11.934 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.105 3.185 -10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.903 4.285 -11.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.509 5.149 -10.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.004 5.722 -11.641 1.00 0.00 H new ATOM 773 N PRO A 38 3.765 5.993 -11.855 1.00 0.00 N ATOM 774 CA PRO A 38 4.593 7.080 -11.310 1.00 0.00 C ATOM 775 C PRO A 38 4.129 7.617 -9.944 1.00 0.00 C ATOM 776 O PRO A 38 4.955 7.928 -9.086 1.00 0.00 O ATOM 777 CB PRO A 38 4.573 8.181 -12.377 1.00 0.00 C ATOM 778 CG PRO A 38 4.367 7.402 -13.673 1.00 0.00 C ATOM 779 CD PRO A 38 3.418 6.286 -13.242 1.00 0.00 C ATOM 0 HA PRO A 38 5.596 6.705 -11.105 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.768 8.896 -12.204 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.505 8.747 -12.390 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.933 8.024 -14.455 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.306 7.008 -14.063 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.378 6.600 -13.328 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.538 5.404 -13.871 1.00 0.00 H new ATOM 787 N LEU A 39 2.812 7.661 -9.706 1.00 0.00 N ATOM 788 CA LEU A 39 2.217 8.059 -8.422 1.00 0.00 C ATOM 789 C LEU A 39 2.589 7.096 -7.274 1.00 0.00 C ATOM 790 O LEU A 39 2.808 7.523 -6.142 1.00 0.00 O ATOM 791 CB LEU A 39 0.689 8.146 -8.620 1.00 0.00 C ATOM 792 CG LEU A 39 -0.100 8.716 -7.427 1.00 0.00 C ATOM 793 CD1 LEU A 39 0.175 10.210 -7.246 1.00 0.00 C ATOM 794 CD2 LEU A 39 -1.601 8.540 -7.661 1.00 0.00 C ATOM 0 H LEU A 39 2.117 7.417 -10.412 1.00 0.00 H new ATOM 0 HA LEU A 39 2.615 9.029 -8.123 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.488 8.764 -9.495 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.311 7.148 -8.840 1.00 0.00 H new ATOM 0 HG LEU A 39 0.218 8.175 -6.536 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.396 10.585 -6.396 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.239 10.365 -7.065 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.122 10.746 -8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.152 8.946 -6.812 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.892 9.069 -8.569 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.831 7.480 -7.769 1.00 0.00 H new ATOM 806 N LEU A 40 2.695 5.798 -7.581 1.00 0.00 N ATOM 807 CA LEU A 40 3.120 4.752 -6.649 1.00 0.00 C ATOM 808 C LEU A 40 4.641 4.735 -6.481 1.00 0.00 C ATOM 809 O LEU A 40 5.134 4.646 -5.362 1.00 0.00 O ATOM 810 CB LEU A 40 2.577 3.402 -7.151 1.00 0.00 C ATOM 811 CG LEU A 40 2.861 2.198 -6.234 1.00 0.00 C ATOM 812 CD1 LEU A 40 2.398 2.425 -4.794 1.00 0.00 C ATOM 813 CD2 LEU A 40 2.092 0.988 -6.761 1.00 0.00 C ATOM 0 H LEU A 40 2.481 5.438 -8.511 1.00 0.00 H new ATOM 0 HA LEU A 40 2.713 4.954 -5.658 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.499 3.490 -7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.005 3.199 -8.133 1.00 0.00 H new ATOM 0 HG LEU A 40 3.941 2.047 -6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.625 1.543 -4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.916 3.289 -4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.323 2.605 -4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.284 0.127 -6.120 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.024 1.208 -6.763 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.418 0.764 -7.777 1.00 0.00 H new ATOM 825 N LEU A 41 5.394 4.913 -7.566 1.00 0.00 N ATOM 826 CA LEU A 41 6.850 5.076 -7.530 1.00 0.00 C ATOM 827 C LEU A 41 7.274 6.238 -6.613 1.00 0.00 C ATOM 828 O LEU A 41 8.197 6.080 -5.815 1.00 0.00 O ATOM 829 CB LEU A 41 7.357 5.234 -8.973 1.00 0.00 C ATOM 830 CG LEU A 41 8.848 5.585 -9.105 1.00 0.00 C ATOM 831 CD1 LEU A 41 9.758 4.545 -8.451 1.00 0.00 C ATOM 832 CD2 LEU A 41 9.217 5.681 -10.586 1.00 0.00 C ATOM 0 H LEU A 41 5.006 4.949 -8.509 1.00 0.00 H new ATOM 0 HA LEU A 41 7.311 4.190 -7.094 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.169 4.305 -9.511 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.772 6.011 -9.464 1.00 0.00 H new ATOM 0 HG LEU A 41 8.998 6.536 -8.594 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.799 4.843 -8.574 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.524 4.474 -7.389 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.600 3.575 -8.923 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.274 5.930 -10.682 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.024 4.725 -11.072 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.617 6.457 -11.061 1.00 0.00 H new ATOM 844 N LYS A 42 6.557 7.369 -6.645 1.00 0.00 N ATOM 845 CA LYS A 42 6.749 8.488 -5.706 1.00 0.00 C ATOM 846 C LYS A 42 6.574 8.066 -4.238 1.00 0.00 C ATOM 847 O LYS A 42 7.380 8.452 -3.392 1.00 0.00 O ATOM 848 CB LYS A 42 5.796 9.630 -6.098 1.00 0.00 C ATOM 849 CG LYS A 42 5.958 10.871 -5.203 1.00 0.00 C ATOM 850 CD LYS A 42 5.156 12.076 -5.713 1.00 0.00 C ATOM 851 CE LYS A 42 3.639 11.855 -5.614 1.00 0.00 C ATOM 852 NZ LYS A 42 2.889 13.063 -6.053 1.00 0.00 N ATOM 0 H LYS A 42 5.819 7.537 -7.329 1.00 0.00 H new ATOM 0 HA LYS A 42 7.779 8.836 -5.781 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.977 9.909 -7.136 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.767 9.276 -6.038 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.637 10.628 -4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.013 11.139 -5.147 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.430 12.961 -5.138 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.424 12.275 -6.751 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.352 11.002 -6.229 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.371 11.611 -4.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.867 12.885 -5.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.146 13.870 -5.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.128 13.280 -7.042 1.00 0.00 H new ATOM 866 N LEU A 43 5.573 7.230 -3.942 1.00 0.00 N ATOM 867 CA LEU A 43 5.338 6.671 -2.606 1.00 0.00 C ATOM 868 C LEU A 43 6.479 5.728 -2.185 1.00 0.00 C ATOM 869 O LEU A 43 7.037 5.893 -1.099 1.00 0.00 O ATOM 870 CB LEU A 43 3.942 6.013 -2.586 1.00 0.00 C ATOM 871 CG LEU A 43 3.484 5.462 -1.221 1.00 0.00 C ATOM 872 CD1 LEU A 43 1.962 5.310 -1.226 1.00 0.00 C ATOM 873 CD2 LEU A 43 4.061 4.079 -0.898 1.00 0.00 C ATOM 0 H LEU A 43 4.893 6.918 -4.635 1.00 0.00 H new ATOM 0 HA LEU A 43 5.341 7.462 -1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.210 6.746 -2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.935 5.197 -3.308 1.00 0.00 H new ATOM 0 HG LEU A 43 3.838 6.172 -0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.632 4.921 -0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.500 6.281 -1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.668 4.620 -2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.698 3.752 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.746 3.366 -1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.149 4.134 -0.880 1.00 0.00 H new ATOM 885 N LEU A 44 6.892 4.801 -3.056 1.00 0.00 N ATOM 886 CA LEU A 44 7.991 3.863 -2.800 1.00 0.00 C ATOM 887 C LEU A 44 9.316 4.612 -2.553 1.00 0.00 C ATOM 888 O LEU A 44 10.063 4.293 -1.628 1.00 0.00 O ATOM 889 CB LEU A 44 8.114 2.882 -3.990 1.00 0.00 C ATOM 890 CG LEU A 44 6.866 2.018 -4.279 1.00 0.00 C ATOM 891 CD1 LEU A 44 7.011 1.302 -5.624 1.00 0.00 C ATOM 892 CD2 LEU A 44 6.633 0.951 -3.216 1.00 0.00 C ATOM 0 H LEU A 44 6.465 4.679 -3.974 1.00 0.00 H new ATOM 0 HA LEU A 44 7.772 3.296 -1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.352 3.455 -4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.958 2.218 -3.803 1.00 0.00 H new ATOM 0 HG LEU A 44 6.020 2.705 -4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.123 0.698 -5.812 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.123 2.040 -6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.890 0.658 -5.600 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.744 0.374 -3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.496 0.287 -3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.492 1.428 -2.246 1.00 0.00 H new ATOM 904 N LYS A 45 9.597 5.658 -3.336 1.00 0.00 N ATOM 905 CA LYS A 45 10.809 6.483 -3.200 1.00 0.00 C ATOM 906 C LYS A 45 10.796 7.436 -2.004 1.00 0.00 C ATOM 907 O LYS A 45 11.867 7.730 -1.473 1.00 0.00 O ATOM 908 CB LYS A 45 11.121 7.181 -4.531 1.00 0.00 C ATOM 909 CG LYS A 45 11.598 6.117 -5.534 1.00 0.00 C ATOM 910 CD LYS A 45 11.933 6.651 -6.927 1.00 0.00 C ATOM 911 CE LYS A 45 13.008 7.734 -6.976 1.00 0.00 C ATOM 912 NZ LYS A 45 14.322 7.264 -6.453 1.00 0.00 N ATOM 0 H LYS A 45 8.984 5.962 -4.092 1.00 0.00 H new ATOM 0 HA LYS A 45 11.631 5.806 -2.968 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.235 7.690 -4.910 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.889 7.941 -4.390 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.481 5.625 -5.127 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.824 5.355 -5.629 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.255 5.816 -7.549 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.021 7.048 -7.373 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.131 8.072 -8.005 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.677 8.595 -6.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.015 8.038 -6.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.215 6.966 -5.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.655 6.460 -7.022 1.00 0.00 H new ATOM 926 N SER A 46 9.624 7.827 -1.495 1.00 0.00 N ATOM 927 CA SER A 46 9.516 8.565 -0.221 1.00 0.00 C ATOM 928 C SER A 46 9.988 7.726 0.986 1.00 0.00 C ATOM 929 O SER A 46 10.495 8.288 1.960 1.00 0.00 O ATOM 930 CB SER A 46 8.088 9.082 -0.005 1.00 0.00 C ATOM 931 OG SER A 46 7.214 8.085 0.489 1.00 0.00 O ATOM 0 H SER A 46 8.727 7.646 -1.946 1.00 0.00 H new ATOM 0 HA SER A 46 10.186 9.422 -0.293 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.111 9.918 0.694 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.699 9.466 -0.948 1.00 0.00 H new ATOM 0 HG SER A 46 7.198 7.327 -0.132 1.00 0.00 H new ATOM 937 N VAL A 47 9.903 6.389 0.895 1.00 0.00 N ATOM 938 CA VAL A 47 10.490 5.417 1.844 1.00 0.00 C ATOM 939 C VAL A 47 11.842 4.830 1.394 1.00 0.00 C ATOM 940 O VAL A 47 12.336 3.873 1.994 1.00 0.00 O ATOM 941 CB VAL A 47 9.473 4.353 2.313 1.00 0.00 C ATOM 942 CG1 VAL A 47 8.164 4.981 2.801 1.00 0.00 C ATOM 943 CG2 VAL A 47 9.118 3.320 1.240 1.00 0.00 C ATOM 0 H VAL A 47 9.405 5.933 0.130 1.00 0.00 H new ATOM 0 HA VAL A 47 10.740 5.999 2.731 1.00 0.00 H new ATOM 0 HB VAL A 47 9.984 3.847 3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.480 4.195 3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.370 5.646 3.640 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.709 5.550 1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.399 2.607 1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.682 3.826 0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.020 2.791 0.932 1.00 0.00 H new ATOM 953 N GLY A 48 12.480 5.425 0.377 1.00 0.00 N ATOM 954 CA GLY A 48 13.868 5.142 -0.013 1.00 0.00 C ATOM 955 C GLY A 48 14.085 4.064 -1.085 1.00 0.00 C ATOM 956 O GLY A 48 15.184 3.506 -1.151 1.00 0.00 O ATOM 0 H GLY A 48 12.036 6.131 -0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 48 14.315 6.070 -0.370 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.417 4.846 0.881 1.00 0.00 H new ATOM 960 N ALA A 49 13.089 3.756 -1.925 1.00 0.00 N ATOM 961 CA ALA A 49 13.265 2.868 -3.076 1.00 0.00 C ATOM 962 C ALA A 49 14.200 3.475 -4.161 1.00 0.00 C ATOM 963 O ALA A 49 14.513 4.671 -4.131 1.00 0.00 O ATOM 964 CB ALA A 49 11.869 2.505 -3.583 1.00 0.00 C ATOM 0 H ALA A 49 12.140 4.116 -1.824 1.00 0.00 H new ATOM 0 HA ALA A 49 13.785 1.955 -2.784 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.956 1.842 -4.444 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.314 2.002 -2.791 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.341 3.412 -3.876 1.00 0.00 H new ATOM 970 N GLN A 50 14.666 2.659 -5.117 1.00 0.00 N ATOM 971 CA GLN A 50 15.736 3.036 -6.068 1.00 0.00 C ATOM 972 C GLN A 50 15.503 2.629 -7.541 1.00 0.00 C ATOM 973 O GLN A 50 16.022 3.295 -8.444 1.00 0.00 O ATOM 974 CB GLN A 50 17.057 2.458 -5.509 1.00 0.00 C ATOM 975 CG GLN A 50 18.336 2.692 -6.334 1.00 0.00 C ATOM 976 CD GLN A 50 18.733 4.164 -6.457 1.00 0.00 C ATOM 977 OE1 GLN A 50 19.467 4.710 -5.643 1.00 0.00 O ATOM 978 NE2 GLN A 50 18.157 4.902 -7.383 1.00 0.00 N ATOM 0 H GLN A 50 14.313 1.712 -5.258 1.00 0.00 H new ATOM 0 HA GLN A 50 15.760 4.124 -6.130 1.00 0.00 H new ATOM 0 HB2 GLN A 50 17.215 2.878 -4.516 1.00 0.00 H new ATOM 0 HB3 GLN A 50 16.928 1.383 -5.384 1.00 0.00 H new ATOM 0 HG2 GLN A 50 19.158 2.141 -5.876 1.00 0.00 H new ATOM 0 HG3 GLN A 50 18.193 2.280 -7.333 1.00 0.00 H new ATOM 0 HE21 GLN A 50 17.542 4.468 -8.071 1.00 0.00 H new ATOM 0 HE22 GLN A 50 18.326 5.907 -7.412 1.00 0.00 H new ATOM 987 N LYS A 51 14.745 1.559 -7.803 1.00 0.00 N ATOM 988 CA LYS A 51 14.459 1.019 -9.149 1.00 0.00 C ATOM 989 C LYS A 51 13.291 1.726 -9.859 1.00 0.00 C ATOM 990 O LYS A 51 12.622 2.588 -9.291 1.00 0.00 O ATOM 991 CB LYS A 51 14.161 -0.489 -9.031 1.00 0.00 C ATOM 992 CG LYS A 51 15.312 -1.309 -8.428 1.00 0.00 C ATOM 993 CD LYS A 51 15.027 -2.815 -8.509 1.00 0.00 C ATOM 994 CE LYS A 51 13.830 -3.223 -7.638 1.00 0.00 C ATOM 995 NZ LYS A 51 13.555 -4.674 -7.743 1.00 0.00 N ATOM 0 H LYS A 51 14.295 1.022 -7.062 1.00 0.00 H new ATOM 0 HA LYS A 51 15.343 1.198 -9.761 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.271 -0.626 -8.417 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.929 -0.881 -10.021 1.00 0.00 H new ATOM 0 HG2 LYS A 51 16.238 -1.083 -8.957 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.461 -1.020 -7.387 1.00 0.00 H new ATOM 0 HD2 LYS A 51 14.832 -3.092 -9.545 1.00 0.00 H new ATOM 0 HD3 LYS A 51 15.911 -3.369 -8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.029 -2.963 -6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.947 -2.661 -7.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.610 -4.877 -7.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.593 -4.963 -8.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.269 -5.203 -7.202 1.00 0.00 H new ATOM 1009 N ASP A 52 13.031 1.321 -11.104 1.00 0.00 N ATOM 1010 CA ASP A 52 11.822 1.662 -11.871 1.00 0.00 C ATOM 1011 C ASP A 52 10.770 0.529 -11.928 1.00 0.00 C ATOM 1012 O ASP A 52 9.568 0.777 -11.801 1.00 0.00 O ATOM 1013 CB ASP A 52 12.218 2.254 -13.234 1.00 0.00 C ATOM 1014 CG ASP A 52 11.059 2.353 -14.239 1.00 0.00 C ATOM 1015 OD1 ASP A 52 10.688 1.333 -14.863 1.00 0.00 O ATOM 1016 OD2 ASP A 52 10.540 3.472 -14.456 1.00 0.00 O ATOM 0 H ASP A 52 13.675 0.727 -11.627 1.00 0.00 H new ATOM 0 HA ASP A 52 11.285 2.441 -11.330 1.00 0.00 H new ATOM 0 HB2 ASP A 52 12.635 3.249 -13.078 1.00 0.00 H new ATOM 0 HB3 ASP A 52 13.009 1.642 -13.668 1.00 0.00 H new ATOM 1021 N THR A 53 11.232 -0.722 -12.043 1.00 0.00 N ATOM 1022 CA THR A 53 10.430 -1.958 -11.965 1.00 0.00 C ATOM 1023 C THR A 53 10.598 -2.544 -10.555 1.00 0.00 C ATOM 1024 O THR A 53 11.658 -2.443 -9.932 1.00 0.00 O ATOM 1025 CB THR A 53 10.957 -3.018 -12.952 1.00 0.00 C ATOM 1026 OG1 THR A 53 12.371 -2.992 -13.045 1.00 0.00 O ATOM 1027 CG2 THR A 53 10.401 -2.799 -14.355 1.00 0.00 C ATOM 0 H THR A 53 12.221 -0.914 -12.200 1.00 0.00 H new ATOM 0 HA THR A 53 9.393 -1.717 -12.199 1.00 0.00 H new ATOM 0 HB THR A 53 10.627 -3.980 -12.561 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.670 -3.678 -13.678 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.793 -3.564 -15.025 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.313 -2.862 -14.329 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.699 -1.814 -14.715 1.00 0.00 H new ATOM 1035 N TYR A 54 9.552 -3.214 -10.065 1.00 0.00 N ATOM 1036 CA TYR A 54 9.475 -3.823 -8.729 1.00 0.00 C ATOM 1037 C TYR A 54 8.675 -5.121 -8.709 1.00 0.00 C ATOM 1038 O TYR A 54 7.761 -5.277 -9.512 1.00 0.00 O ATOM 1039 CB TYR A 54 8.851 -2.847 -7.722 1.00 0.00 C ATOM 1040 CG TYR A 54 9.685 -1.625 -7.419 1.00 0.00 C ATOM 1041 CD1 TYR A 54 9.553 -0.480 -8.226 1.00 0.00 C ATOM 1042 CD2 TYR A 54 10.600 -1.639 -6.347 1.00 0.00 C ATOM 1043 CE1 TYR A 54 10.346 0.649 -7.975 1.00 0.00 C ATOM 1044 CE2 TYR A 54 11.384 -0.500 -6.083 1.00 0.00 C ATOM 1045 CZ TYR A 54 11.257 0.645 -6.900 1.00 0.00 C ATOM 1046 OH TYR A 54 12.037 1.732 -6.680 1.00 0.00 O ATOM 0 H TYR A 54 8.700 -3.354 -10.608 1.00 0.00 H new ATOM 0 HA TYR A 54 10.502 -4.055 -8.449 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.883 -2.523 -8.105 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.663 -3.380 -6.790 1.00 0.00 H new ATOM 0 HD1 TYR A 54 8.841 -0.471 -9.038 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.699 -2.520 -5.730 1.00 0.00 H new ATOM 0 HE1 TYR A 54 10.259 1.521 -8.606 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.081 -0.502 -5.258 1.00 0.00 H new ATOM 0 HH TYR A 54 12.267 2.148 -7.537 1.00 0.00 H new ATOM 1056 N THR A 55 8.966 -6.053 -7.804 1.00 0.00 N ATOM 1057 CA THR A 55 8.062 -7.191 -7.557 1.00 0.00 C ATOM 1058 C THR A 55 6.801 -6.790 -6.791 1.00 0.00 C ATOM 1059 O THR A 55 6.831 -5.834 -6.016 1.00 0.00 O ATOM 1060 CB THR A 55 8.745 -8.439 -6.973 1.00 0.00 C ATOM 1061 OG1 THR A 55 8.750 -8.362 -5.566 1.00 0.00 O ATOM 1062 CG2 THR A 55 10.177 -8.665 -7.459 1.00 0.00 C ATOM 0 H THR A 55 9.810 -6.050 -7.231 1.00 0.00 H new ATOM 0 HA THR A 55 7.738 -7.501 -8.550 1.00 0.00 H new ATOM 0 HB THR A 55 8.160 -9.287 -7.328 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.184 -9.159 -5.196 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.580 -9.566 -6.997 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.179 -8.781 -8.543 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.794 -7.809 -7.184 1.00 0.00 H new ATOM 1070 N MET A 56 5.683 -7.508 -6.945 1.00 0.00 N ATOM 1071 CA MET A 56 4.470 -7.212 -6.160 1.00 0.00 C ATOM 1072 C MET A 56 4.708 -7.352 -4.643 1.00 0.00 C ATOM 1073 O MET A 56 4.140 -6.596 -3.854 1.00 0.00 O ATOM 1074 CB MET A 56 3.301 -8.093 -6.623 1.00 0.00 C ATOM 1075 CG MET A 56 3.022 -7.902 -8.120 1.00 0.00 C ATOM 1076 SD MET A 56 1.408 -8.502 -8.675 1.00 0.00 S ATOM 1077 CE MET A 56 0.659 -6.889 -8.990 1.00 0.00 C ATOM 0 H MET A 56 5.588 -8.288 -7.595 1.00 0.00 H new ATOM 0 HA MET A 56 4.210 -6.169 -6.341 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.530 -9.140 -6.424 1.00 0.00 H new ATOM 0 HB3 MET A 56 2.407 -7.847 -6.049 1.00 0.00 H new ATOM 0 HG2 MET A 56 3.100 -6.841 -8.357 1.00 0.00 H new ATOM 0 HG3 MET A 56 3.799 -8.414 -8.688 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.361 -7.025 -9.348 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.645 -6.308 -8.068 1.00 0.00 H new ATOM 0 HE3 MET A 56 1.241 -6.359 -9.744 1.00 0.00 H new ATOM 1087 N LYS A 57 5.613 -8.256 -4.237 1.00 0.00 N ATOM 1088 CA LYS A 57 6.090 -8.413 -2.854 1.00 0.00 C ATOM 1089 C LYS A 57 6.935 -7.223 -2.389 1.00 0.00 C ATOM 1090 O LYS A 57 6.731 -6.754 -1.274 1.00 0.00 O ATOM 1091 CB LYS A 57 6.824 -9.760 -2.756 1.00 0.00 C ATOM 1092 CG LYS A 57 7.351 -10.135 -1.359 1.00 0.00 C ATOM 1093 CD LYS A 57 8.800 -9.688 -1.084 1.00 0.00 C ATOM 1094 CE LYS A 57 9.402 -10.328 0.177 1.00 0.00 C ATOM 1095 NZ LYS A 57 9.480 -11.815 0.095 1.00 0.00 N ATOM 0 H LYS A 57 6.046 -8.918 -4.881 1.00 0.00 H new ATOM 0 HA LYS A 57 5.244 -8.422 -2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.148 -10.546 -3.092 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.665 -9.745 -3.449 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.698 -9.692 -0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.288 -11.217 -1.239 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.421 -9.941 -1.944 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.825 -8.603 -0.981 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.402 -9.926 0.340 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.801 -10.048 1.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.125 -12.170 0.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.533 -12.221 0.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.836 -12.093 -0.842 1.00 0.00 H new ATOM 1109 N GLU A 58 7.824 -6.688 -3.230 1.00 0.00 N ATOM 1110 CA GLU A 58 8.574 -5.450 -2.948 1.00 0.00 C ATOM 1111 C GLU A 58 7.660 -4.222 -2.815 1.00 0.00 C ATOM 1112 O GLU A 58 7.830 -3.426 -1.889 1.00 0.00 O ATOM 1113 CB GLU A 58 9.606 -5.179 -4.051 1.00 0.00 C ATOM 1114 CG GLU A 58 10.819 -6.115 -4.005 1.00 0.00 C ATOM 1115 CD GLU A 58 11.736 -5.947 -5.231 1.00 0.00 C ATOM 1116 OE1 GLU A 58 11.326 -5.348 -6.255 1.00 0.00 O ATOM 1117 OE2 GLU A 58 12.901 -6.410 -5.188 1.00 0.00 O ATOM 0 H GLU A 58 8.049 -7.102 -4.135 1.00 0.00 H new ATOM 0 HA GLU A 58 9.074 -5.608 -1.992 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.120 -5.276 -5.022 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.951 -4.148 -3.968 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.391 -5.920 -3.098 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.476 -7.148 -3.950 1.00 0.00 H new ATOM 1124 N VAL A 59 6.665 -4.088 -3.703 1.00 0.00 N ATOM 1125 CA VAL A 59 5.664 -3.009 -3.649 1.00 0.00 C ATOM 1126 C VAL A 59 4.878 -3.108 -2.341 1.00 0.00 C ATOM 1127 O VAL A 59 4.799 -2.115 -1.623 1.00 0.00 O ATOM 1128 CB VAL A 59 4.717 -3.047 -4.867 1.00 0.00 C ATOM 1129 CG1 VAL A 59 3.568 -2.037 -4.750 1.00 0.00 C ATOM 1130 CG2 VAL A 59 5.466 -2.715 -6.164 1.00 0.00 C ATOM 0 H VAL A 59 6.530 -4.729 -4.485 1.00 0.00 H new ATOM 0 HA VAL A 59 6.185 -2.052 -3.683 1.00 0.00 H new ATOM 0 HB VAL A 59 4.319 -4.061 -4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.932 -2.105 -5.633 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.979 -2.258 -3.860 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.976 -1.029 -4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.772 -2.750 -7.004 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.896 -1.716 -6.090 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.262 -3.443 -6.321 1.00 0.00 H new ATOM 1140 N LEU A 60 4.354 -4.291 -1.982 1.00 0.00 N ATOM 1141 CA LEU A 60 3.666 -4.500 -0.701 1.00 0.00 C ATOM 1142 C LEU A 60 4.587 -4.180 0.488 1.00 0.00 C ATOM 1143 O LEU A 60 4.193 -3.433 1.382 1.00 0.00 O ATOM 1144 CB LEU A 60 3.149 -5.951 -0.603 1.00 0.00 C ATOM 1145 CG LEU A 60 1.862 -6.218 -1.406 1.00 0.00 C ATOM 1146 CD1 LEU A 60 1.588 -7.719 -1.473 1.00 0.00 C ATOM 1147 CD2 LEU A 60 0.641 -5.557 -0.757 1.00 0.00 C ATOM 0 H LEU A 60 4.396 -5.124 -2.569 1.00 0.00 H new ATOM 0 HA LEU A 60 2.818 -3.817 -0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.929 -6.627 -0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.966 -6.190 0.445 1.00 0.00 H new ATOM 0 HG LEU A 60 2.017 -5.800 -2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.676 -7.897 -2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.424 -8.220 -1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.468 -8.112 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.247 -5.768 -1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.505 -5.953 0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.795 -4.479 -0.705 1.00 0.00 H new ATOM 1159 N PHE A 61 5.822 -4.688 0.488 1.00 0.00 N ATOM 1160 CA PHE A 61 6.831 -4.408 1.511 1.00 0.00 C ATOM 1161 C PHE A 61 7.094 -2.928 1.817 1.00 0.00 C ATOM 1162 O PHE A 61 7.024 -2.499 2.971 1.00 0.00 O ATOM 1163 CB PHE A 61 8.098 -5.240 1.247 1.00 0.00 C ATOM 1164 CG PHE A 61 9.366 -4.800 1.955 1.00 0.00 C ATOM 1165 CD1 PHE A 61 9.629 -5.236 3.268 1.00 0.00 C ATOM 1166 CD2 PHE A 61 10.313 -3.999 1.284 1.00 0.00 C ATOM 1167 CE1 PHE A 61 10.830 -4.876 3.906 1.00 0.00 C ATOM 1168 CE2 PHE A 61 11.518 -3.648 1.919 1.00 0.00 C ATOM 1169 CZ PHE A 61 11.778 -4.086 3.230 1.00 0.00 C ATOM 0 H PHE A 61 6.155 -5.320 -0.240 1.00 0.00 H new ATOM 0 HA PHE A 61 6.400 -4.736 2.457 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.892 -6.272 1.530 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.289 -5.236 0.174 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.906 -5.849 3.787 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.113 -3.654 0.280 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.025 -5.206 4.916 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.245 -3.041 1.399 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.704 -3.816 3.717 1.00 0.00 H new ATOM 1179 N TYR A 62 7.341 -2.128 0.779 1.00 0.00 N ATOM 1180 CA TYR A 62 7.489 -0.675 0.897 1.00 0.00 C ATOM 1181 C TYR A 62 6.209 0.134 1.165 1.00 0.00 C ATOM 1182 O TYR A 62 6.233 1.103 1.925 1.00 0.00 O ATOM 1183 CB TYR A 62 8.289 -0.126 -0.288 1.00 0.00 C ATOM 1184 CG TYR A 62 9.783 -0.402 -0.271 1.00 0.00 C ATOM 1185 CD1 TYR A 62 10.588 0.070 0.785 1.00 0.00 C ATOM 1186 CD2 TYR A 62 10.376 -1.097 -1.345 1.00 0.00 C ATOM 1187 CE1 TYR A 62 11.981 -0.135 0.760 1.00 0.00 C ATOM 1188 CE2 TYR A 62 11.769 -1.307 -1.374 1.00 0.00 C ATOM 1189 CZ TYR A 62 12.577 -0.819 -0.322 1.00 0.00 C ATOM 1190 OH TYR A 62 13.924 -1.015 -0.338 1.00 0.00 O ATOM 0 H TYR A 62 7.445 -2.472 -0.176 1.00 0.00 H new ATOM 0 HA TYR A 62 8.048 -0.529 1.821 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.873 -0.543 -1.205 1.00 0.00 H new ATOM 0 HB3 TYR A 62 8.140 0.953 -0.332 1.00 0.00 H new ATOM 0 HD1 TYR A 62 10.135 0.591 1.616 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.759 -1.470 -2.149 1.00 0.00 H new ATOM 0 HE1 TYR A 62 12.594 0.232 1.570 1.00 0.00 H new ATOM 0 HE2 TYR A 62 12.219 -1.840 -2.199 1.00 0.00 H new ATOM 0 HH TYR A 62 14.174 -1.503 -1.151 1.00 0.00 H new ATOM 1200 N LEU A 63 5.074 -0.287 0.601 1.00 0.00 N ATOM 1201 CA LEU A 63 3.765 0.334 0.828 1.00 0.00 C ATOM 1202 C LEU A 63 3.320 0.197 2.294 1.00 0.00 C ATOM 1203 O LEU A 63 2.864 1.170 2.895 1.00 0.00 O ATOM 1204 CB LEU A 63 2.771 -0.284 -0.172 1.00 0.00 C ATOM 1205 CG LEU A 63 1.323 0.225 -0.100 1.00 0.00 C ATOM 1206 CD1 LEU A 63 1.240 1.734 -0.311 1.00 0.00 C ATOM 1207 CD2 LEU A 63 0.502 -0.445 -1.205 1.00 0.00 C ATOM 0 H LEU A 63 5.037 -1.082 -0.037 1.00 0.00 H new ATOM 0 HA LEU A 63 3.815 1.409 0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.146 -0.106 -1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.761 -1.363 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 63 0.939 -0.015 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.199 2.053 -0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.819 2.242 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.642 1.987 -1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.527 -0.089 -1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.930 -0.198 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.518 -1.526 -1.066 1.00 0.00 H new ATOM 1219 N GLY A 64 3.552 -0.966 2.911 1.00 0.00 N ATOM 1220 CA GLY A 64 3.336 -1.169 4.347 1.00 0.00 C ATOM 1221 C GLY A 64 4.244 -0.296 5.217 1.00 0.00 C ATOM 1222 O GLY A 64 3.782 0.288 6.197 1.00 0.00 O ATOM 0 H GLY A 64 3.896 -1.795 2.427 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.295 -0.953 4.587 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.508 -2.218 4.590 1.00 0.00 H new ATOM 1226 N GLN A 65 5.514 -0.119 4.831 1.00 0.00 N ATOM 1227 CA GLN A 65 6.428 0.821 5.497 1.00 0.00 C ATOM 1228 C GLN A 65 5.975 2.286 5.389 1.00 0.00 C ATOM 1229 O GLN A 65 6.128 3.041 6.352 1.00 0.00 O ATOM 1230 CB GLN A 65 7.861 0.643 4.970 1.00 0.00 C ATOM 1231 CG GLN A 65 8.508 -0.635 5.522 1.00 0.00 C ATOM 1232 CD GLN A 65 9.789 -0.998 4.782 1.00 0.00 C ATOM 1233 OE1 GLN A 65 10.889 -0.577 5.120 1.00 0.00 O ATOM 1234 NE2 GLN A 65 9.673 -1.661 3.657 1.00 0.00 N ATOM 0 H GLN A 65 5.937 -0.621 4.051 1.00 0.00 H new ATOM 0 HA GLN A 65 6.408 0.578 6.559 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.847 0.604 3.881 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.463 1.507 5.250 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.728 -0.500 6.581 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.800 -1.460 5.446 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.762 -2.016 3.366 1.00 0.00 H new ATOM 0 HE22 GLN A 65 10.494 -1.822 3.073 1.00 0.00 H new ATOM 1243 N TYR A 66 5.358 2.686 4.270 1.00 0.00 N ATOM 1244 CA TYR A 66 4.765 4.019 4.126 1.00 0.00 C ATOM 1245 C TYR A 66 3.566 4.213 5.062 1.00 0.00 C ATOM 1246 O TYR A 66 3.508 5.185 5.814 1.00 0.00 O ATOM 1247 CB TYR A 66 4.402 4.283 2.662 1.00 0.00 C ATOM 1248 CG TYR A 66 3.774 5.640 2.409 1.00 0.00 C ATOM 1249 CD1 TYR A 66 4.615 6.743 2.171 1.00 0.00 C ATOM 1250 CD2 TYR A 66 2.374 5.807 2.381 1.00 0.00 C ATOM 1251 CE1 TYR A 66 4.071 8.003 1.868 1.00 0.00 C ATOM 1252 CE2 TYR A 66 1.822 7.071 2.081 1.00 0.00 C ATOM 1253 CZ TYR A 66 2.672 8.167 1.811 1.00 0.00 C ATOM 1254 OH TYR A 66 2.150 9.387 1.512 1.00 0.00 O ATOM 0 H TYR A 66 5.257 2.097 3.443 1.00 0.00 H new ATOM 0 HA TYR A 66 5.509 4.758 4.425 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.303 4.194 2.055 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.713 3.508 2.325 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.687 6.620 2.222 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.725 4.969 2.589 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.723 8.843 1.679 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.750 7.200 2.058 1.00 0.00 H new ATOM 0 HH TYR A 66 1.171 9.333 1.511 1.00 0.00 H new ATOM 1264 N ILE A 67 2.654 3.235 5.091 1.00 0.00 N ATOM 1265 CA ILE A 67 1.481 3.220 5.980 1.00 0.00 C ATOM 1266 C ILE A 67 1.893 3.263 7.463 1.00 0.00 C ATOM 1267 O ILE A 67 1.268 3.980 8.249 1.00 0.00 O ATOM 1268 CB ILE A 67 0.601 1.989 5.654 1.00 0.00 C ATOM 1269 CG1 ILE A 67 0.000 2.105 4.233 1.00 0.00 C ATOM 1270 CG2 ILE A 67 -0.535 1.830 6.679 1.00 0.00 C ATOM 1271 CD1 ILE A 67 -0.439 0.767 3.625 1.00 0.00 C ATOM 0 H ILE A 67 2.709 2.415 4.487 1.00 0.00 H new ATOM 0 HA ILE A 67 0.892 4.120 5.803 1.00 0.00 H new ATOM 0 HB ILE A 67 1.242 1.109 5.702 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.859 2.775 4.268 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.737 2.566 3.575 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.136 0.957 6.424 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.111 1.700 7.675 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.164 2.720 6.666 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.849 0.937 2.629 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.420 0.100 3.555 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.201 0.312 4.258 1.00 0.00 H new ATOM 1283 N MET A 68 2.975 2.565 7.835 1.00 0.00 N ATOM 1284 CA MET A 68 3.568 2.621 9.177 1.00 0.00 C ATOM 1285 C MET A 68 4.160 3.989 9.530 1.00 0.00 C ATOM 1286 O MET A 68 3.776 4.571 10.544 1.00 0.00 O ATOM 1287 CB MET A 68 4.630 1.529 9.367 1.00 0.00 C ATOM 1288 CG MET A 68 3.982 0.160 9.596 1.00 0.00 C ATOM 1289 SD MET A 68 5.115 -1.145 10.140 1.00 0.00 S ATOM 1290 CE MET A 68 6.126 -1.333 8.651 1.00 0.00 C ATOM 0 H MET A 68 3.470 1.936 7.202 1.00 0.00 H new ATOM 0 HA MET A 68 2.740 2.445 9.864 1.00 0.00 H new ATOM 0 HB2 MET A 68 5.274 1.487 8.488 1.00 0.00 H new ATOM 0 HB3 MET A 68 5.266 1.780 10.216 1.00 0.00 H new ATOM 0 HG2 MET A 68 3.193 0.269 10.340 1.00 0.00 H new ATOM 0 HG3 MET A 68 3.504 -0.158 8.669 1.00 0.00 H new ATOM 0 HE1 MET A 68 6.664 -2.280 8.694 1.00 0.00 H new ATOM 0 HE2 MET A 68 5.483 -1.321 7.771 1.00 0.00 H new ATOM 0 HE3 MET A 68 6.840 -0.512 8.590 1.00 0.00 H new ATOM 1300 N THR A 69 5.063 4.530 8.704 1.00 0.00 N ATOM 1301 CA THR A 69 5.697 5.837 8.970 1.00 0.00 C ATOM 1302 C THR A 69 4.733 7.031 8.985 1.00 0.00 C ATOM 1303 O THR A 69 4.872 7.951 9.795 1.00 0.00 O ATOM 1304 CB THR A 69 6.945 6.051 8.096 1.00 0.00 C ATOM 1305 OG1 THR A 69 7.808 6.981 8.714 1.00 0.00 O ATOM 1306 CG2 THR A 69 6.636 6.571 6.693 1.00 0.00 C ATOM 0 H THR A 69 5.375 4.085 7.841 1.00 0.00 H new ATOM 0 HA THR A 69 6.042 5.792 10.003 1.00 0.00 H new ATOM 0 HB THR A 69 7.404 5.068 7.996 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.602 7.113 8.154 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.566 6.696 6.138 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.997 5.857 6.173 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.125 7.531 6.765 1.00 0.00 H new ATOM 1314 N LYS A 70 3.687 6.970 8.149 1.00 0.00 N ATOM 1315 CA LYS A 70 2.553 7.913 8.121 1.00 0.00 C ATOM 1316 C LYS A 70 1.491 7.653 9.206 1.00 0.00 C ATOM 1317 O LYS A 70 0.643 8.517 9.436 1.00 0.00 O ATOM 1318 CB LYS A 70 1.923 7.866 6.720 1.00 0.00 C ATOM 1319 CG LYS A 70 2.842 8.374 5.591 1.00 0.00 C ATOM 1320 CD LYS A 70 2.559 9.818 5.155 1.00 0.00 C ATOM 1321 CE LYS A 70 1.179 9.924 4.490 1.00 0.00 C ATOM 1322 NZ LYS A 70 0.992 11.222 3.798 1.00 0.00 N ATOM 0 H LYS A 70 3.601 6.236 7.446 1.00 0.00 H new ATOM 0 HA LYS A 70 2.944 8.906 8.344 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.632 6.839 6.500 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.010 8.462 6.725 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.878 8.302 5.921 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.736 7.718 4.727 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.603 10.480 6.020 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.330 10.151 4.460 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.059 9.111 3.774 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.403 9.801 5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.091 11.212 3.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.979 11.990 4.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.774 11.375 3.130 1.00 0.00 H new ATOM 1336 N ARG A 71 1.522 6.484 9.867 1.00 0.00 N ATOM 1337 CA ARG A 71 0.617 6.025 10.935 1.00 0.00 C ATOM 1338 C ARG A 71 -0.868 6.100 10.545 1.00 0.00 C ATOM 1339 O ARG A 71 -1.706 6.606 11.292 1.00 0.00 O ATOM 1340 CB ARG A 71 0.992 6.726 12.256 1.00 0.00 C ATOM 1341 CG ARG A 71 0.620 5.842 13.451 1.00 0.00 C ATOM 1342 CD ARG A 71 0.999 6.474 14.796 1.00 0.00 C ATOM 1343 NE ARG A 71 0.218 7.698 15.070 1.00 0.00 N ATOM 1344 CZ ARG A 71 0.604 8.753 15.768 1.00 0.00 C ATOM 1345 NH1 ARG A 71 1.768 8.816 16.352 1.00 0.00 N ATOM 1346 NH2 ARG A 71 -0.187 9.780 15.896 1.00 0.00 N ATOM 0 H ARG A 71 2.232 5.783 9.654 1.00 0.00 H new ATOM 0 HA ARG A 71 0.759 4.956 11.095 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.061 6.940 12.272 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.475 7.683 12.328 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.453 5.649 13.435 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.119 4.878 13.354 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.834 5.752 15.596 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.062 6.714 14.797 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.723 7.733 14.677 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.418 8.033 16.279 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.029 9.648 16.882 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.108 9.772 15.457 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.114 10.592 16.435 1.00 0.00 H new ATOM 1360 N LEU A 72 -1.183 5.619 9.339 1.00 0.00 N ATOM 1361 CA LEU A 72 -2.518 5.717 8.723 1.00 0.00 C ATOM 1362 C LEU A 72 -3.535 4.686 9.249 1.00 0.00 C ATOM 1363 O LEU A 72 -4.725 4.783 8.947 1.00 0.00 O ATOM 1364 CB LEU A 72 -2.386 5.616 7.192 1.00 0.00 C ATOM 1365 CG LEU A 72 -1.462 6.661 6.551 1.00 0.00 C ATOM 1366 CD1 LEU A 72 -1.319 6.404 5.054 1.00 0.00 C ATOM 1367 CD2 LEU A 72 -1.982 8.079 6.757 1.00 0.00 C ATOM 0 H LEU A 72 -0.505 5.139 8.747 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.920 6.689 9.008 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.017 4.622 6.939 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.378 5.710 6.750 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.492 6.568 7.040 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.660 7.155 4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.895 5.413 4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.299 6.461 4.580 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.300 8.788 6.289 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.970 8.173 6.306 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.049 8.291 7.824 1.00 0.00 H new ATOM 1379 N TYR A 73 -3.090 3.698 10.025 1.00 0.00 N ATOM 1380 CA TYR A 73 -3.978 2.739 10.692 1.00 0.00 C ATOM 1381 C TYR A 73 -4.914 3.308 11.776 1.00 0.00 C ATOM 1382 O TYR A 73 -4.539 4.245 12.485 1.00 0.00 O ATOM 1383 CB TYR A 73 -3.230 1.483 11.152 1.00 0.00 C ATOM 1384 CG TYR A 73 -1.915 1.750 11.863 1.00 0.00 C ATOM 1385 CD1 TYR A 73 -1.926 2.179 13.205 1.00 0.00 C ATOM 1386 CD2 TYR A 73 -0.687 1.554 11.201 1.00 0.00 C ATOM 1387 CE1 TYR A 73 -0.716 2.367 13.900 1.00 0.00 C ATOM 1388 CE2 TYR A 73 0.525 1.729 11.897 1.00 0.00 C ATOM 1389 CZ TYR A 73 0.514 2.125 13.252 1.00 0.00 C ATOM 1390 OH TYR A 73 1.679 2.282 13.938 1.00 0.00 O ATOM 0 H TYR A 73 -2.100 3.537 10.211 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.674 2.448 9.905 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.879 0.915 11.819 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.036 0.854 10.283 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.866 2.364 13.703 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.675 1.269 10.159 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.729 2.696 14.929 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.465 1.560 11.393 1.00 0.00 H new ATOM 0 HH TYR A 73 2.435 2.076 13.350 1.00 0.00 H new ATOM 1400 N ASP A 74 -6.113 2.740 11.951 1.00 0.00 N ATOM 1401 CA ASP A 74 -6.988 3.081 13.081 1.00 0.00 C ATOM 1402 C ASP A 74 -6.427 2.624 14.445 1.00 0.00 C ATOM 1403 O ASP A 74 -6.039 1.465 14.610 1.00 0.00 O ATOM 1404 CB ASP A 74 -8.439 2.648 12.812 1.00 0.00 C ATOM 1405 CG ASP A 74 -9.401 2.763 14.004 1.00 0.00 C ATOM 1406 OD1 ASP A 74 -9.196 3.616 14.897 1.00 0.00 O ATOM 1407 OD2 ASP A 74 -10.390 1.999 14.037 1.00 0.00 O ATOM 0 H ASP A 74 -6.502 2.038 11.321 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.009 4.168 13.162 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.832 3.249 11.992 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.433 1.612 12.473 1.00 0.00 H new ATOM 1412 N GLU A 75 -6.380 3.518 15.437 1.00 0.00 N ATOM 1413 CA GLU A 75 -5.942 3.202 16.805 1.00 0.00 C ATOM 1414 C GLU A 75 -6.834 2.155 17.505 1.00 0.00 C ATOM 1415 O GLU A 75 -6.347 1.420 18.368 1.00 0.00 O ATOM 1416 CB GLU A 75 -5.847 4.494 17.639 1.00 0.00 C ATOM 1417 CG GLU A 75 -7.180 5.241 17.833 1.00 0.00 C ATOM 1418 CD GLU A 75 -7.042 6.564 18.622 1.00 0.00 C ATOM 1419 OE1 GLU A 75 -5.950 6.883 19.155 1.00 0.00 O ATOM 1420 OE2 GLU A 75 -8.051 7.306 18.724 1.00 0.00 O ATOM 0 H GLU A 75 -6.648 4.494 15.314 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.955 2.747 16.726 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.440 4.247 18.619 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.137 5.167 17.159 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.612 5.455 16.855 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.880 4.588 18.355 1.00 0.00 H new ATOM 1427 N LYS A 76 -8.116 2.051 17.119 1.00 0.00 N ATOM 1428 CA LYS A 76 -9.040 0.997 17.573 1.00 0.00 C ATOM 1429 C LYS A 76 -8.870 -0.275 16.741 1.00 0.00 C ATOM 1430 O LYS A 76 -8.396 -1.291 17.250 1.00 0.00 O ATOM 1431 CB LYS A 76 -10.504 1.487 17.569 1.00 0.00 C ATOM 1432 CG LYS A 76 -10.690 2.764 18.399 1.00 0.00 C ATOM 1433 CD LYS A 76 -12.159 3.205 18.527 1.00 0.00 C ATOM 1434 CE LYS A 76 -13.073 2.228 19.285 1.00 0.00 C ATOM 1435 NZ LYS A 76 -12.697 2.090 20.718 1.00 0.00 N ATOM 0 H LYS A 76 -8.548 2.709 16.470 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.786 0.754 18.605 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.820 1.674 16.543 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.149 0.702 17.964 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.279 2.603 19.396 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.115 3.571 17.944 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.189 4.171 19.031 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.565 3.355 17.527 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.105 2.573 19.215 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.030 1.250 18.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.343 1.421 21.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.722 1.735 20.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.763 3.017 21.185 1.00 0.00 H new ATOM 1449 N GLN A 77 -9.234 -0.214 15.460 1.00 0.00 N ATOM 1450 CA GLN A 77 -9.129 -1.333 14.515 1.00 0.00 C ATOM 1451 C GLN A 77 -7.785 -1.297 13.773 1.00 0.00 C ATOM 1452 O GLN A 77 -7.665 -0.742 12.682 1.00 0.00 O ATOM 1453 CB GLN A 77 -10.324 -1.338 13.542 1.00 0.00 C ATOM 1454 CG GLN A 77 -11.710 -1.363 14.211 1.00 0.00 C ATOM 1455 CD GLN A 77 -11.959 -2.551 15.145 1.00 0.00 C ATOM 1456 OE1 GLN A 77 -11.298 -3.581 15.110 1.00 0.00 O ATOM 1457 NE2 GLN A 77 -12.942 -2.461 16.017 1.00 0.00 N ATOM 0 H GLN A 77 -9.619 0.631 15.038 1.00 0.00 H new ATOM 0 HA GLN A 77 -9.163 -2.266 15.077 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.260 -0.454 12.908 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.237 -2.206 12.889 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.839 -0.441 14.778 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.472 -1.367 13.432 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -13.506 -1.612 16.064 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.139 -3.240 16.645 1.00 0.00 H new ATOM 1466 N GLN A 78 -6.760 -1.936 14.345 1.00 0.00 N ATOM 1467 CA GLN A 78 -5.386 -1.917 13.814 1.00 0.00 C ATOM 1468 C GLN A 78 -5.260 -2.572 12.424 1.00 0.00 C ATOM 1469 O GLN A 78 -4.291 -2.334 11.705 1.00 0.00 O ATOM 1470 CB GLN A 78 -4.453 -2.596 14.832 1.00 0.00 C ATOM 1471 CG GLN A 78 -4.355 -1.848 16.176 1.00 0.00 C ATOM 1472 CD GLN A 78 -3.293 -0.753 16.158 1.00 0.00 C ATOM 1473 OE1 GLN A 78 -2.136 -0.971 16.486 1.00 0.00 O ATOM 1474 NE2 GLN A 78 -3.575 0.410 15.615 1.00 0.00 N ATOM 0 H GLN A 78 -6.858 -2.487 15.198 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.096 -0.876 13.671 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.807 -3.611 15.016 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.456 -2.679 14.399 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.323 -1.407 16.414 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.125 -2.560 16.969 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.531 0.622 15.331 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.837 1.101 15.478 1.00 0.00 H new ATOM 1483 N HIS A 79 -6.257 -3.371 12.032 1.00 0.00 N ATOM 1484 CA HIS A 79 -6.385 -4.003 10.720 1.00 0.00 C ATOM 1485 C HIS A 79 -7.082 -3.122 9.657 1.00 0.00 C ATOM 1486 O HIS A 79 -7.354 -3.608 8.560 1.00 0.00 O ATOM 1487 CB HIS A 79 -7.081 -5.360 10.907 1.00 0.00 C ATOM 1488 CG HIS A 79 -8.554 -5.298 11.236 1.00 0.00 C ATOM 1489 ND1 HIS A 79 -9.117 -5.220 12.491 1.00 0.00 N ATOM 1490 CD2 HIS A 79 -9.584 -5.391 10.339 1.00 0.00 C ATOM 1491 CE1 HIS A 79 -10.454 -5.251 12.353 1.00 0.00 C ATOM 1492 NE2 HIS A 79 -10.787 -5.378 11.057 1.00 0.00 N ATOM 0 H HIS A 79 -7.032 -3.604 12.652 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.384 -4.149 10.313 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.955 -5.942 9.994 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.572 -5.903 11.703 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -9.486 -5.462 9.266 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -11.160 -5.183 13.168 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -11.729 -5.451 10.672 1.00 0.00 H new ATOM 1500 N ILE A 80 -7.390 -1.850 9.948 1.00 0.00 N ATOM 1501 CA ILE A 80 -8.044 -0.896 9.029 1.00 0.00 C ATOM 1502 C ILE A 80 -7.162 0.345 8.829 1.00 0.00 C ATOM 1503 O ILE A 80 -6.580 0.860 9.785 1.00 0.00 O ATOM 1504 CB ILE A 80 -9.463 -0.525 9.533 1.00 0.00 C ATOM 1505 CG1 ILE A 80 -10.321 -1.799 9.721 1.00 0.00 C ATOM 1506 CG2 ILE A 80 -10.161 0.467 8.579 1.00 0.00 C ATOM 1507 CD1 ILE A 80 -11.755 -1.536 10.198 1.00 0.00 C ATOM 0 H ILE A 80 -7.186 -1.439 10.859 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.166 -1.374 8.057 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.355 -0.032 10.499 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.360 -2.339 8.775 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.826 -2.452 10.440 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.153 0.705 8.963 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.571 1.381 8.508 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.253 0.017 7.590 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.283 -2.484 10.303 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.730 -1.026 11.161 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.272 -0.911 9.470 1.00 0.00 H new ATOM 1519 N VAL A 81 -7.077 0.837 7.589 1.00 0.00 N ATOM 1520 CA VAL A 81 -6.292 2.014 7.175 1.00 0.00 C ATOM 1521 C VAL A 81 -7.214 3.140 6.702 1.00 0.00 C ATOM 1522 O VAL A 81 -8.143 2.901 5.930 1.00 0.00 O ATOM 1523 CB VAL A 81 -5.284 1.634 6.070 1.00 0.00 C ATOM 1524 CG1 VAL A 81 -4.448 2.829 5.593 1.00 0.00 C ATOM 1525 CG2 VAL A 81 -4.304 0.562 6.557 1.00 0.00 C ATOM 0 H VAL A 81 -7.575 0.409 6.808 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.733 2.373 8.039 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.891 1.263 5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.757 2.502 4.816 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.108 3.598 5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.884 3.237 6.432 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.607 0.316 5.756 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.750 0.939 7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.857 -0.332 6.845 1.00 0.00 H new ATOM 1535 N TYR A 82 -6.930 4.370 7.138 1.00 0.00 N ATOM 1536 CA TYR A 82 -7.581 5.613 6.713 1.00 0.00 C ATOM 1537 C TYR A 82 -6.716 6.509 5.816 1.00 0.00 C ATOM 1538 O TYR A 82 -5.568 6.795 6.153 1.00 0.00 O ATOM 1539 CB TYR A 82 -8.197 6.352 7.907 1.00 0.00 C ATOM 1540 CG TYR A 82 -9.454 5.699 8.452 1.00 0.00 C ATOM 1541 CD1 TYR A 82 -9.348 4.615 9.346 1.00 0.00 C ATOM 1542 CD2 TYR A 82 -10.726 6.165 8.061 1.00 0.00 C ATOM 1543 CE1 TYR A 82 -10.507 3.989 9.839 1.00 0.00 C ATOM 1544 CE2 TYR A 82 -11.888 5.539 8.552 1.00 0.00 C ATOM 1545 CZ TYR A 82 -11.782 4.446 9.441 1.00 0.00 C ATOM 1546 OH TYR A 82 -12.899 3.832 9.920 1.00 0.00 O ATOM 0 H TYR A 82 -6.202 4.535 7.833 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.401 5.318 6.058 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.457 6.414 8.705 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -8.430 7.374 7.608 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.374 4.264 9.654 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.809 7.003 7.384 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.421 3.158 10.523 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.861 5.895 8.249 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.695 4.267 9.551 1.00 0.00 H new ATOM 1556 N CYS A 83 -7.251 6.960 4.681 1.00 0.00 N ATOM 1557 CA CYS A 83 -6.477 7.616 3.619 1.00 0.00 C ATOM 1558 C CYS A 83 -7.208 8.721 2.830 1.00 0.00 C ATOM 1559 O CYS A 83 -6.754 9.118 1.756 1.00 0.00 O ATOM 1560 CB CYS A 83 -5.857 6.527 2.724 1.00 0.00 C ATOM 1561 SG CYS A 83 -7.084 5.313 2.141 1.00 0.00 S ATOM 0 H CYS A 83 -8.245 6.881 4.468 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.689 8.191 4.106 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -5.380 6.997 1.864 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -5.074 6.009 3.278 1.00 0.00 H new ATOM 0 HG CYS A 83 -7.898 5.886 1.305 1.00 0.00 H new ATOM 1567 N SER A 84 -8.327 9.244 3.344 1.00 0.00 N ATOM 1568 CA SER A 84 -9.112 10.300 2.684 1.00 0.00 C ATOM 1569 C SER A 84 -8.260 11.534 2.344 1.00 0.00 C ATOM 1570 O SER A 84 -7.581 12.093 3.209 1.00 0.00 O ATOM 1571 CB SER A 84 -10.306 10.694 3.557 1.00 0.00 C ATOM 1572 OG SER A 84 -11.124 11.624 2.868 1.00 0.00 O ATOM 0 H SER A 84 -8.719 8.945 4.237 1.00 0.00 H new ATOM 0 HA SER A 84 -9.476 9.894 1.740 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.886 9.808 3.815 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.955 11.129 4.493 1.00 0.00 H new ATOM 0 HG SER A 84 -11.887 11.870 3.432 1.00 0.00 H new ATOM 1578 N ASN A 85 -8.286 11.940 1.067 1.00 0.00 N ATOM 1579 CA ASN A 85 -7.498 13.028 0.464 1.00 0.00 C ATOM 1580 C ASN A 85 -5.954 12.900 0.566 1.00 0.00 C ATOM 1581 O ASN A 85 -5.236 13.846 0.230 1.00 0.00 O ATOM 1582 CB ASN A 85 -8.040 14.395 0.938 1.00 0.00 C ATOM 1583 CG ASN A 85 -9.497 14.635 0.571 1.00 0.00 C ATOM 1584 OD1 ASN A 85 -9.978 14.265 -0.492 1.00 0.00 O ATOM 1585 ND2 ASN A 85 -10.241 15.317 1.415 1.00 0.00 N ATOM 0 H ASN A 85 -8.895 11.490 0.384 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.647 12.941 -0.612 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -7.931 14.464 2.020 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.430 15.188 0.505 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -11.210 15.533 1.181 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.849 15.629 2.303 1.00 0.00 H new ATOM 1592 N ASP A 86 -5.421 11.753 1.000 1.00 0.00 N ATOM 1593 CA ASP A 86 -3.978 11.467 1.041 1.00 0.00 C ATOM 1594 C ASP A 86 -3.452 10.881 -0.292 1.00 0.00 C ATOM 1595 O ASP A 86 -4.233 10.397 -1.117 1.00 0.00 O ATOM 1596 CB ASP A 86 -3.687 10.526 2.225 1.00 0.00 C ATOM 1597 CG ASP A 86 -2.193 10.215 2.360 1.00 0.00 C ATOM 1598 OD1 ASP A 86 -1.389 11.175 2.397 1.00 0.00 O ATOM 1599 OD2 ASP A 86 -1.821 9.024 2.355 1.00 0.00 O ATOM 0 H ASP A 86 -5.991 10.979 1.341 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.444 12.407 1.183 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -4.047 10.982 3.147 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -4.240 9.596 2.093 1.00 0.00 H new ATOM 1604 N LEU A 87 -2.127 10.844 -0.486 1.00 0.00 N ATOM 1605 CA LEU A 87 -1.475 10.122 -1.589 1.00 0.00 C ATOM 1606 C LEU A 87 -1.922 8.646 -1.660 1.00 0.00 C ATOM 1607 O LEU A 87 -2.161 8.123 -2.749 1.00 0.00 O ATOM 1608 CB LEU A 87 0.051 10.245 -1.417 1.00 0.00 C ATOM 1609 CG LEU A 87 0.894 9.448 -2.434 1.00 0.00 C ATOM 1610 CD1 LEU A 87 0.630 9.880 -3.876 1.00 0.00 C ATOM 1611 CD2 LEU A 87 2.380 9.672 -2.161 1.00 0.00 C ATOM 0 H LEU A 87 -1.467 11.322 0.128 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.774 10.570 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.325 11.298 -1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.315 9.914 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 87 0.613 8.401 -2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.248 9.289 -4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.422 9.724 -4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.875 10.936 -3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.971 9.107 -2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.611 10.733 -2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.619 9.336 -1.152 1.00 0.00 H new ATOM 1623 N LEU A 88 -2.100 7.987 -0.509 1.00 0.00 N ATOM 1624 CA LEU A 88 -2.592 6.610 -0.450 1.00 0.00 C ATOM 1625 C LEU A 88 -4.057 6.467 -0.903 1.00 0.00 C ATOM 1626 O LEU A 88 -4.408 5.482 -1.553 1.00 0.00 O ATOM 1627 CB LEU A 88 -2.385 6.083 0.977 1.00 0.00 C ATOM 1628 CG LEU A 88 -2.692 4.584 1.113 1.00 0.00 C ATOM 1629 CD1 LEU A 88 -1.702 3.755 0.296 1.00 0.00 C ATOM 1630 CD2 LEU A 88 -2.561 4.154 2.564 1.00 0.00 C ATOM 0 H LEU A 88 -1.907 8.395 0.406 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.021 6.009 -1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.354 6.266 1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.023 6.643 1.661 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.707 4.421 0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.937 2.696 0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.773 4.035 -0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.689 3.941 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.781 3.090 2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.545 4.344 2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.264 4.720 3.176 1.00 0.00 H new ATOM 1642 N GLY A 89 -4.903 7.457 -0.607 1.00 0.00 N ATOM 1643 CA GLY A 89 -6.289 7.513 -1.085 1.00 0.00 C ATOM 1644 C GLY A 89 -6.383 7.803 -2.584 1.00 0.00 C ATOM 1645 O GLY A 89 -7.225 7.226 -3.270 1.00 0.00 O ATOM 0 H GLY A 89 -4.643 8.251 -0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.782 6.565 -0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.828 8.284 -0.535 1.00 0.00 H new ATOM 1649 N ASP A 90 -5.474 8.622 -3.118 1.00 0.00 N ATOM 1650 CA ASP A 90 -5.315 8.836 -4.562 1.00 0.00 C ATOM 1651 C ASP A 90 -4.851 7.598 -5.349 1.00 0.00 C ATOM 1652 O ASP A 90 -5.225 7.415 -6.510 1.00 0.00 O ATOM 1653 CB ASP A 90 -4.433 10.065 -4.845 1.00 0.00 C ATOM 1654 CG ASP A 90 -5.106 11.430 -4.594 1.00 0.00 C ATOM 1655 OD1 ASP A 90 -6.342 11.508 -4.393 1.00 0.00 O ATOM 1656 OD2 ASP A 90 -4.386 12.456 -4.648 1.00 0.00 O ATOM 0 H ASP A 90 -4.818 9.163 -2.554 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.318 9.035 -4.939 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.538 10.000 -4.226 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.105 10.025 -5.884 1.00 0.00 H new ATOM 1661 N LEU A 91 -4.083 6.717 -4.696 1.00 0.00 N ATOM 1662 CA LEU A 91 -3.720 5.390 -5.196 1.00 0.00 C ATOM 1663 C LEU A 91 -4.894 4.397 -5.103 1.00 0.00 C ATOM 1664 O LEU A 91 -5.373 3.922 -6.135 1.00 0.00 O ATOM 1665 CB LEU A 91 -2.496 4.875 -4.417 1.00 0.00 C ATOM 1666 CG LEU A 91 -1.145 5.463 -4.859 1.00 0.00 C ATOM 1667 CD1 LEU A 91 -0.091 5.054 -3.846 1.00 0.00 C ATOM 1668 CD2 LEU A 91 -0.726 4.969 -6.245 1.00 0.00 C ATOM 0 H LEU A 91 -3.686 6.916 -3.778 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.470 5.475 -6.253 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.640 5.093 -3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.452 3.790 -4.516 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.245 6.547 -4.913 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.876 5.462 -4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.362 5.440 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.029 3.967 -3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.233 5.411 -6.514 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.634 3.883 -6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.478 5.261 -6.978 1.00 0.00 H new ATOM 1680 N PHE A 92 -5.364 4.073 -3.891 1.00 0.00 N ATOM 1681 CA PHE A 92 -6.439 3.094 -3.667 1.00 0.00 C ATOM 1682 C PHE A 92 -7.854 3.453 -4.162 1.00 0.00 C ATOM 1683 O PHE A 92 -8.680 2.566 -4.381 1.00 0.00 O ATOM 1684 CB PHE A 92 -6.423 2.532 -2.231 1.00 0.00 C ATOM 1685 CG PHE A 92 -5.372 1.471 -1.937 1.00 0.00 C ATOM 1686 CD1 PHE A 92 -5.415 0.232 -2.603 1.00 0.00 C ATOM 1687 CD2 PHE A 92 -4.392 1.682 -0.950 1.00 0.00 C ATOM 1688 CE1 PHE A 92 -4.467 -0.771 -2.321 1.00 0.00 C ATOM 1689 CE2 PHE A 92 -3.466 0.668 -0.637 1.00 0.00 C ATOM 1690 CZ PHE A 92 -3.496 -0.553 -1.332 1.00 0.00 C ATOM 0 H PHE A 92 -5.006 4.486 -3.030 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.173 2.291 -4.355 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.275 3.362 -1.540 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.405 2.110 -2.017 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.184 0.048 -3.339 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.349 2.627 -0.429 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.488 -1.704 -2.864 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.732 0.829 0.138 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.773 -1.322 -1.105 1.00 0.00 H new ATOM 1700 N GLY A 93 -8.136 4.743 -4.364 1.00 0.00 N ATOM 1701 CA GLY A 93 -9.426 5.250 -4.853 1.00 0.00 C ATOM 1702 C GLY A 93 -10.548 5.279 -3.803 1.00 0.00 C ATOM 1703 O GLY A 93 -11.723 5.333 -4.172 1.00 0.00 O ATOM 0 H GLY A 93 -7.458 5.484 -4.188 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.281 6.260 -5.237 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.748 4.633 -5.692 1.00 0.00 H new ATOM 1707 N VAL A 94 -10.208 5.225 -2.507 1.00 0.00 N ATOM 1708 CA VAL A 94 -11.156 5.128 -1.376 1.00 0.00 C ATOM 1709 C VAL A 94 -10.652 5.953 -0.175 1.00 0.00 C ATOM 1710 O VAL A 94 -9.441 6.137 -0.016 1.00 0.00 O ATOM 1711 CB VAL A 94 -11.355 3.663 -0.920 1.00 0.00 C ATOM 1712 CG1 VAL A 94 -12.252 2.895 -1.894 1.00 0.00 C ATOM 1713 CG2 VAL A 94 -10.051 2.878 -0.725 1.00 0.00 C ATOM 0 H VAL A 94 -9.235 5.248 -2.202 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.110 5.521 -1.727 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.832 3.744 0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.373 1.869 -1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.228 3.377 -1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.795 2.891 -2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.282 1.862 -0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.501 2.846 -1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.442 3.367 0.035 1.00 0.00 H new ATOM 1723 N PRO A 95 -11.561 6.431 0.702 1.00 0.00 N ATOM 1724 CA PRO A 95 -11.208 7.149 1.932 1.00 0.00 C ATOM 1725 C PRO A 95 -10.642 6.243 3.042 1.00 0.00 C ATOM 1726 O PRO A 95 -9.980 6.737 3.956 1.00 0.00 O ATOM 1727 CB PRO A 95 -12.516 7.810 2.384 1.00 0.00 C ATOM 1728 CG PRO A 95 -13.588 6.842 1.887 1.00 0.00 C ATOM 1729 CD PRO A 95 -13.013 6.368 0.556 1.00 0.00 C ATOM 0 HA PRO A 95 -10.407 7.862 1.737 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.553 7.930 3.467 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.637 8.802 1.949 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.741 6.015 2.580 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.552 7.334 1.760 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.339 5.353 0.329 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.351 7.002 -0.264 1.00 0.00 H new ATOM 1737 N SER A 96 -10.896 4.933 2.981 1.00 0.00 N ATOM 1738 CA SER A 96 -10.402 3.917 3.921 1.00 0.00 C ATOM 1739 C SER A 96 -10.552 2.504 3.340 1.00 0.00 C ATOM 1740 O SER A 96 -11.344 2.290 2.415 1.00 0.00 O ATOM 1741 CB SER A 96 -11.155 4.008 5.258 1.00 0.00 C ATOM 1742 OG SER A 96 -12.545 3.762 5.098 1.00 0.00 O ATOM 0 H SER A 96 -11.476 4.532 2.244 1.00 0.00 H new ATOM 0 HA SER A 96 -9.343 4.112 4.091 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.737 3.287 5.961 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.008 4.997 5.691 1.00 0.00 H new ATOM 0 HG SER A 96 -12.991 3.826 5.968 1.00 0.00 H new ATOM 1748 N PHE A 97 -9.810 1.528 3.875 1.00 0.00 N ATOM 1749 CA PHE A 97 -9.941 0.113 3.496 1.00 0.00 C ATOM 1750 C PHE A 97 -9.465 -0.800 4.646 1.00 0.00 C ATOM 1751 O PHE A 97 -8.668 -0.401 5.499 1.00 0.00 O ATOM 1752 CB PHE A 97 -9.130 -0.156 2.212 1.00 0.00 C ATOM 1753 CG PHE A 97 -7.622 -0.089 2.370 1.00 0.00 C ATOM 1754 CD1 PHE A 97 -6.931 -1.246 2.762 1.00 0.00 C ATOM 1755 CD2 PHE A 97 -6.909 1.103 2.137 1.00 0.00 C ATOM 1756 CE1 PHE A 97 -5.542 -1.214 2.953 1.00 0.00 C ATOM 1757 CE2 PHE A 97 -5.512 1.132 2.310 1.00 0.00 C ATOM 1758 CZ PHE A 97 -4.828 -0.030 2.718 1.00 0.00 C ATOM 0 H PHE A 97 -9.098 1.696 4.586 1.00 0.00 H new ATOM 0 HA PHE A 97 -10.990 -0.110 3.303 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -9.396 -1.144 1.835 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.432 0.567 1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.473 -2.167 2.918 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -7.434 1.994 1.826 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.022 -2.102 3.281 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.965 2.045 2.130 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.756 -0.009 2.850 1.00 0.00 H new ATOM 1768 N SER A 98 -9.943 -2.049 4.659 1.00 0.00 N ATOM 1769 CA SER A 98 -9.513 -3.095 5.599 1.00 0.00 C ATOM 1770 C SER A 98 -8.360 -3.938 5.039 1.00 0.00 C ATOM 1771 O SER A 98 -8.466 -4.498 3.947 1.00 0.00 O ATOM 1772 CB SER A 98 -10.699 -3.989 5.960 1.00 0.00 C ATOM 1773 OG SER A 98 -10.272 -5.056 6.785 1.00 0.00 O ATOM 0 H SER A 98 -10.655 -2.370 4.003 1.00 0.00 H new ATOM 0 HA SER A 98 -9.143 -2.600 6.497 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.461 -3.404 6.475 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.157 -4.382 5.052 1.00 0.00 H new ATOM 0 HG SER A 98 -11.040 -5.622 7.012 1.00 0.00 H new ATOM 1779 N VAL A 99 -7.275 -4.073 5.805 1.00 0.00 N ATOM 1780 CA VAL A 99 -6.122 -4.945 5.511 1.00 0.00 C ATOM 1781 C VAL A 99 -6.467 -6.435 5.552 1.00 0.00 C ATOM 1782 O VAL A 99 -5.909 -7.224 4.791 1.00 0.00 O ATOM 1783 CB VAL A 99 -4.915 -4.627 6.414 1.00 0.00 C ATOM 1784 CG1 VAL A 99 -3.631 -5.296 5.915 1.00 0.00 C ATOM 1785 CG2 VAL A 99 -4.620 -3.125 6.511 1.00 0.00 C ATOM 0 H VAL A 99 -7.166 -3.562 6.681 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.839 -4.722 4.482 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.200 -5.014 7.392 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.807 -5.044 6.582 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.767 -6.377 5.898 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.404 -4.943 4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.760 -2.964 7.161 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.403 -2.732 5.518 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.487 -2.610 6.924 1.00 0.00 H new ATOM 1795 N LYS A 100 -7.433 -6.811 6.402 1.00 0.00 N ATOM 1796 CA LYS A 100 -7.968 -8.177 6.534 1.00 0.00 C ATOM 1797 C LYS A 100 -8.684 -8.654 5.260 1.00 0.00 C ATOM 1798 O LYS A 100 -8.657 -9.839 4.937 1.00 0.00 O ATOM 1799 CB LYS A 100 -8.889 -8.175 7.766 1.00 0.00 C ATOM 1800 CG LYS A 100 -9.529 -9.528 8.122 1.00 0.00 C ATOM 1801 CD LYS A 100 -10.502 -9.391 9.307 1.00 0.00 C ATOM 1802 CE LYS A 100 -9.798 -9.030 10.625 1.00 0.00 C ATOM 1803 NZ LYS A 100 -10.774 -8.667 11.685 1.00 0.00 N ATOM 0 H LYS A 100 -7.880 -6.151 7.039 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.157 -8.892 6.670 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.315 -7.828 8.625 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.685 -7.449 7.600 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -10.061 -9.921 7.255 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.749 -10.248 8.370 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.242 -8.625 9.075 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.043 -10.328 9.436 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.195 -9.874 10.959 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.116 -8.197 10.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.319 -8.743 12.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.099 -7.690 11.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.588 -9.313 11.643 1.00 0.00 H new ATOM 1817 N GLU A 101 -9.288 -7.735 4.506 1.00 0.00 N ATOM 1818 CA GLU A 101 -9.969 -7.993 3.226 1.00 0.00 C ATOM 1819 C GLU A 101 -8.980 -8.119 2.044 1.00 0.00 C ATOM 1820 O GLU A 101 -9.048 -7.379 1.060 1.00 0.00 O ATOM 1821 CB GLU A 101 -11.064 -6.933 2.992 1.00 0.00 C ATOM 1822 CG GLU A 101 -12.188 -7.023 4.041 1.00 0.00 C ATOM 1823 CD GLU A 101 -13.318 -5.992 3.837 1.00 0.00 C ATOM 1824 OE1 GLU A 101 -13.184 -5.055 3.013 1.00 0.00 O ATOM 1825 OE2 GLU A 101 -14.366 -6.115 4.514 1.00 0.00 O ATOM 0 H GLU A 101 -9.320 -6.752 4.776 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.457 -8.966 3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -10.618 -5.939 3.023 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.487 -7.062 1.996 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.615 -8.025 4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.758 -6.884 5.033 1.00 0.00 H new ATOM 1832 N HIS A 102 -8.039 -9.068 2.140 1.00 0.00 N ATOM 1833 CA HIS A 102 -6.888 -9.207 1.234 1.00 0.00 C ATOM 1834 C HIS A 102 -7.256 -9.234 -0.264 1.00 0.00 C ATOM 1835 O HIS A 102 -6.592 -8.584 -1.072 1.00 0.00 O ATOM 1836 CB HIS A 102 -6.105 -10.480 1.598 1.00 0.00 C ATOM 1837 CG HIS A 102 -5.659 -10.597 3.037 1.00 0.00 C ATOM 1838 ND1 HIS A 102 -4.794 -9.756 3.699 1.00 0.00 N ATOM 1839 CD2 HIS A 102 -5.895 -11.655 3.877 1.00 0.00 C ATOM 1840 CE1 HIS A 102 -4.531 -10.278 4.906 1.00 0.00 C ATOM 1841 NE2 HIS A 102 -5.182 -11.442 5.065 1.00 0.00 N ATOM 0 H HIS A 102 -8.057 -9.780 2.870 1.00 0.00 H new ATOM 0 HA HIS A 102 -6.279 -8.314 1.375 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -6.725 -11.344 1.360 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -5.223 -10.535 0.960 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -6.523 -12.507 3.660 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -3.887 -9.826 5.646 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -5.162 -12.049 5.885 1.00 0.00 H new ATOM 1849 N ARG A 103 -8.346 -9.927 -0.638 1.00 0.00 N ATOM 1850 CA ARG A 103 -8.830 -10.049 -2.030 1.00 0.00 C ATOM 1851 C ARG A 103 -9.124 -8.692 -2.677 1.00 0.00 C ATOM 1852 O ARG A 103 -8.762 -8.468 -3.833 1.00 0.00 O ATOM 1853 CB ARG A 103 -10.049 -10.999 -2.051 1.00 0.00 C ATOM 1854 CG ARG A 103 -10.692 -11.232 -3.433 1.00 0.00 C ATOM 1855 CD ARG A 103 -11.804 -10.229 -3.784 1.00 0.00 C ATOM 1856 NE ARG A 103 -12.417 -10.545 -5.090 1.00 0.00 N ATOM 1857 CZ ARG A 103 -13.570 -10.097 -5.555 1.00 0.00 C ATOM 1858 NH1 ARG A 103 -14.319 -9.267 -4.884 1.00 0.00 N ATOM 1859 NH2 ARG A 103 -13.998 -10.473 -6.726 1.00 0.00 N ATOM 0 H ARG A 103 -8.929 -10.430 0.031 1.00 0.00 H new ATOM 0 HA ARG A 103 -8.037 -10.478 -2.643 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -9.742 -11.963 -1.647 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -10.809 -10.600 -1.380 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -9.916 -11.180 -4.197 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -11.104 -12.241 -3.465 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -12.569 -10.244 -3.007 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -11.393 -9.220 -3.807 1.00 0.00 H new ATOM 0 HE ARG A 103 -11.895 -11.176 -5.698 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -14.021 -8.940 -3.965 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -15.203 -8.945 -5.278 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -13.443 -11.117 -7.290 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -14.889 -10.124 -7.080 1.00 0.00 H new ATOM 1873 N LYS A 104 -9.752 -7.780 -1.927 1.00 0.00 N ATOM 1874 CA LYS A 104 -10.052 -6.410 -2.377 1.00 0.00 C ATOM 1875 C LYS A 104 -8.783 -5.579 -2.555 1.00 0.00 C ATOM 1876 O LYS A 104 -8.651 -4.887 -3.562 1.00 0.00 O ATOM 1877 CB LYS A 104 -11.044 -5.731 -1.417 1.00 0.00 C ATOM 1878 CG LYS A 104 -12.460 -6.317 -1.558 1.00 0.00 C ATOM 1879 CD LYS A 104 -13.415 -5.860 -0.445 1.00 0.00 C ATOM 1880 CE LYS A 104 -13.581 -4.336 -0.377 1.00 0.00 C ATOM 1881 NZ LYS A 104 -14.411 -3.944 0.790 1.00 0.00 N ATOM 0 H LYS A 104 -10.072 -7.972 -0.978 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.522 -6.477 -3.358 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.699 -5.854 -0.390 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.071 -4.660 -1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -12.872 -6.027 -2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.399 -7.405 -1.552 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -14.391 -6.318 -0.602 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -13.044 -6.221 0.514 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -12.602 -3.862 -0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -14.045 -3.976 -1.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -14.636 -2.930 0.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -15.293 -4.495 0.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -13.886 -4.131 1.668 1.00 0.00 H new ATOM 1895 N ILE A 105 -7.818 -5.697 -1.641 1.00 0.00 N ATOM 1896 CA ILE A 105 -6.514 -5.033 -1.793 1.00 0.00 C ATOM 1897 C ILE A 105 -5.789 -5.530 -3.042 1.00 0.00 C ATOM 1898 O ILE A 105 -5.350 -4.700 -3.831 1.00 0.00 O ATOM 1899 CB ILE A 105 -5.643 -5.155 -0.525 1.00 0.00 C ATOM 1900 CG1 ILE A 105 -6.309 -4.333 0.595 1.00 0.00 C ATOM 1901 CG2 ILE A 105 -4.210 -4.642 -0.777 1.00 0.00 C ATOM 1902 CD1 ILE A 105 -5.662 -4.531 1.962 1.00 0.00 C ATOM 0 H ILE A 105 -7.911 -6.246 -0.786 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.704 -3.968 -1.926 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.568 -6.204 -0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.268 -3.276 0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.363 -4.606 0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.622 -4.742 0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.748 -5.228 -1.572 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.246 -3.594 -1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.182 -3.922 2.702 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.726 -5.581 2.246 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.615 -4.231 1.916 1.00 0.00 H new ATOM 1914 N TYR A 106 -5.701 -6.844 -3.281 1.00 0.00 N ATOM 1915 CA TYR A 106 -4.955 -7.367 -4.431 1.00 0.00 C ATOM 1916 C TYR A 106 -5.444 -6.832 -5.782 1.00 0.00 C ATOM 1917 O TYR A 106 -4.629 -6.415 -6.602 1.00 0.00 O ATOM 1918 CB TYR A 106 -4.979 -8.903 -4.469 1.00 0.00 C ATOM 1919 CG TYR A 106 -4.361 -9.653 -3.304 1.00 0.00 C ATOM 1920 CD1 TYR A 106 -3.142 -9.243 -2.722 1.00 0.00 C ATOM 1921 CD2 TYR A 106 -5.001 -10.817 -2.836 1.00 0.00 C ATOM 1922 CE1 TYR A 106 -2.584 -9.983 -1.661 1.00 0.00 C ATOM 1923 CE2 TYR A 106 -4.444 -11.561 -1.783 1.00 0.00 C ATOM 1924 CZ TYR A 106 -3.236 -11.145 -1.192 1.00 0.00 C ATOM 1925 OH TYR A 106 -2.702 -11.884 -0.186 1.00 0.00 O ATOM 0 H TYR A 106 -6.134 -7.560 -2.698 1.00 0.00 H new ATOM 0 HA TYR A 106 -3.935 -7.011 -4.283 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.019 -9.219 -4.556 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.472 -9.223 -5.379 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -2.637 -8.362 -3.090 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -5.926 -11.140 -3.290 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.658 -9.662 -1.207 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -4.942 -12.451 -1.427 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.802 -11.554 0.020 1.00 0.00 H new ATOM 1935 N THR A 107 -6.760 -6.783 -6.017 1.00 0.00 N ATOM 1936 CA THR A 107 -7.311 -6.213 -7.260 1.00 0.00 C ATOM 1937 C THR A 107 -7.091 -4.705 -7.432 1.00 0.00 C ATOM 1938 O THR A 107 -6.694 -4.249 -8.510 1.00 0.00 O ATOM 1939 CB THR A 107 -8.755 -6.676 -7.515 1.00 0.00 C ATOM 1940 OG1 THR A 107 -9.039 -6.609 -8.895 1.00 0.00 O ATOM 1941 CG2 THR A 107 -9.802 -5.833 -6.792 1.00 0.00 C ATOM 0 H THR A 107 -7.465 -7.129 -5.367 1.00 0.00 H new ATOM 0 HA THR A 107 -6.710 -6.634 -8.066 1.00 0.00 H new ATOM 0 HB THR A 107 -8.814 -7.695 -7.132 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.959 -6.906 -9.054 1.00 0.00 H new ATOM 0 HG21 THR A 107 -10.797 -6.217 -7.018 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.629 -5.882 -5.717 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.728 -4.798 -7.125 1.00 0.00 H new ATOM 1949 N MET A 108 -7.242 -3.924 -6.352 1.00 0.00 N ATOM 1950 CA MET A 108 -6.930 -2.487 -6.362 1.00 0.00 C ATOM 1951 C MET A 108 -5.432 -2.222 -6.576 1.00 0.00 C ATOM 1952 O MET A 108 -5.061 -1.336 -7.345 1.00 0.00 O ATOM 1953 CB MET A 108 -7.368 -1.815 -5.052 1.00 0.00 C ATOM 1954 CG MET A 108 -8.882 -1.801 -4.809 1.00 0.00 C ATOM 1955 SD MET A 108 -9.413 -0.809 -3.374 1.00 0.00 S ATOM 1956 CE MET A 108 -8.616 -1.665 -1.983 1.00 0.00 C ATOM 0 H MET A 108 -7.581 -4.267 -5.453 1.00 0.00 H new ATOM 0 HA MET A 108 -7.485 -2.061 -7.198 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.886 -2.327 -4.219 1.00 0.00 H new ATOM 0 HB3 MET A 108 -7.004 -0.787 -5.048 1.00 0.00 H new ATOM 0 HG2 MET A 108 -9.376 -1.418 -5.702 1.00 0.00 H new ATOM 0 HG3 MET A 108 -9.224 -2.827 -4.671 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.878 -1.166 -1.050 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.957 -2.700 -1.949 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.534 -1.643 -2.114 1.00 0.00 H new ATOM 1966 N MET A 109 -4.568 -2.994 -5.912 1.00 0.00 N ATOM 1967 CA MET A 109 -3.116 -2.808 -5.925 1.00 0.00 C ATOM 1968 C MET A 109 -2.492 -3.318 -7.233 1.00 0.00 C ATOM 1969 O MET A 109 -1.565 -2.693 -7.746 1.00 0.00 O ATOM 1970 CB MET A 109 -2.510 -3.420 -4.644 1.00 0.00 C ATOM 1971 CG MET A 109 -2.002 -4.865 -4.709 1.00 0.00 C ATOM 1972 SD MET A 109 -0.312 -5.092 -5.343 1.00 0.00 S ATOM 1973 CE MET A 109 0.619 -4.057 -4.174 1.00 0.00 C ATOM 0 H MET A 109 -4.866 -3.783 -5.338 1.00 0.00 H new ATOM 0 HA MET A 109 -2.876 -1.745 -5.909 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.679 -2.787 -4.332 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.264 -3.366 -3.859 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.053 -5.292 -3.707 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.684 -5.440 -5.336 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.654 -4.397 -4.132 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.591 -3.019 -4.505 1.00 0.00 H new ATOM 0 HE3 MET A 109 0.171 -4.134 -3.183 1.00 0.00 H new ATOM 1983 N ALA A 110 -3.050 -4.370 -7.847 1.00 0.00 N ATOM 1984 CA ALA A 110 -2.628 -4.835 -9.170 1.00 0.00 C ATOM 1985 C ALA A 110 -2.947 -3.803 -10.268 1.00 0.00 C ATOM 1986 O ALA A 110 -2.142 -3.597 -11.180 1.00 0.00 O ATOM 1987 CB ALA A 110 -3.301 -6.182 -9.456 1.00 0.00 C ATOM 0 H ALA A 110 -3.806 -4.920 -7.439 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.545 -4.961 -9.175 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -2.995 -6.540 -10.439 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.003 -6.906 -8.697 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.384 -6.059 -9.435 1.00 0.00 H new ATOM 1993 N SER A 111 -4.071 -3.087 -10.138 1.00 0.00 N ATOM 1994 CA SER A 111 -4.470 -1.998 -11.046 1.00 0.00 C ATOM 1995 C SER A 111 -3.511 -0.793 -11.028 1.00 0.00 C ATOM 1996 O SER A 111 -3.510 0.004 -11.967 1.00 0.00 O ATOM 1997 CB SER A 111 -5.896 -1.526 -10.731 1.00 0.00 C ATOM 1998 OG SER A 111 -6.839 -2.565 -10.948 1.00 0.00 O ATOM 0 H SER A 111 -4.742 -3.249 -9.387 1.00 0.00 H new ATOM 0 HA SER A 111 -4.427 -2.420 -12.050 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.951 -1.192 -9.695 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.145 -0.669 -11.356 1.00 0.00 H new ATOM 0 HG SER A 111 -6.845 -3.168 -10.175 1.00 0.00 H new ATOM 2004 N MET A 112 -2.646 -0.674 -10.010 1.00 0.00 N ATOM 2005 CA MET A 112 -1.561 0.321 -9.951 1.00 0.00 C ATOM 2006 C MET A 112 -0.334 -0.057 -10.806 1.00 0.00 C ATOM 2007 O MET A 112 0.630 0.705 -10.861 1.00 0.00 O ATOM 2008 CB MET A 112 -1.113 0.555 -8.498 1.00 0.00 C ATOM 2009 CG MET A 112 -2.261 0.881 -7.540 1.00 0.00 C ATOM 2010 SD MET A 112 -1.735 1.102 -5.822 1.00 0.00 S ATOM 2011 CE MET A 112 -3.366 1.138 -5.044 1.00 0.00 C ATOM 0 H MET A 112 -2.680 -1.277 -9.188 1.00 0.00 H new ATOM 0 HA MET A 112 -1.979 1.237 -10.369 1.00 0.00 H new ATOM 0 HB2 MET A 112 -0.596 -0.335 -8.140 1.00 0.00 H new ATOM 0 HB3 MET A 112 -0.392 1.373 -8.477 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.758 1.790 -7.878 1.00 0.00 H new ATOM 0 HG3 MET A 112 -2.998 0.080 -7.585 1.00 0.00 H new ATOM 0 HE1 MET A 112 -3.285 1.578 -4.050 1.00 0.00 H new ATOM 0 HE2 MET A 112 -4.046 1.736 -5.651 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.752 0.122 -4.961 1.00 0.00 H new ATOM 2021 N THR A 113 -0.343 -1.232 -11.443 1.00 0.00 N ATOM 2022 CA THR A 113 0.801 -1.852 -12.141 1.00 0.00 C ATOM 2023 C THR A 113 0.564 -2.259 -13.605 1.00 0.00 C ATOM 2024 O THR A 113 1.410 -2.902 -14.232 1.00 0.00 O ATOM 2025 CB THR A 113 1.474 -2.948 -11.290 1.00 0.00 C ATOM 2026 OG1 THR A 113 0.830 -4.191 -11.469 1.00 0.00 O ATOM 2027 CG2 THR A 113 1.509 -2.667 -9.782 1.00 0.00 C ATOM 0 H THR A 113 -1.184 -1.808 -11.492 1.00 0.00 H new ATOM 0 HA THR A 113 1.521 -1.040 -12.247 1.00 0.00 H new ATOM 0 HB THR A 113 2.503 -2.963 -11.650 1.00 0.00 H new ATOM 0 HG1 THR A 113 -0.138 -4.075 -11.371 1.00 0.00 H new ATOM 0 HG21 THR A 113 2.001 -3.493 -9.269 1.00 0.00 H new ATOM 0 HG22 THR A 113 2.060 -1.745 -9.596 1.00 0.00 H new ATOM 0 HG23 THR A 113 0.491 -2.562 -9.408 1.00 0.00 H new