USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=32 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 100 LYS NZ :NH3+ -175:sc= 1.13 (180deg=0) USER MOD Set 1.2: A 102 HIS : no HE2:sc= -0.507 K(o=0.62,f=-8.7!) USER MOD Set 2.1: A 77 GLN : amide:sc= 0.181 K(o=0.45,f=-1.1) USER MOD Set 2.2: A 79 HIS : no HE2:sc= 0.271 K(o=0.45,f=-2.3) USER MOD Set 2.3: A 98 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 66 TYR OH : rot 180:sc= -0.142 USER MOD Set 3.2: A 70 LYS NZ :NH3+ -170:sc= 1.19 (180deg=1.03) USER MOD Set 4.1: A -8 PHE N :NH3+ 144:sc= 0.576 (180deg=-0.955) USER MOD Set 4.2: A 78 GLN : amide:sc= 0.529 K(o=1.1,f=-6.9!) USER MOD Single : A 0 MET CE :methyl 166:sc= 0 (180deg=-0.383) USER MOD Single : A -5 TYR OH : rot 180:sc= 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 65:sc= 0.924 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -170:sc= 1.25 (180deg=0.85) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 146:sc= 1.34 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 56 MET CE :methyl 178:sc= -0.0157 (180deg=-0.0208) USER MOD Single : A 57 LYS NZ :NH3+ -168:sc= 2.28 (180deg=2.14) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 68 MET CE :methyl -163:sc= -0.0027 (180deg=-0.662) 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 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 72:sc= 0.629 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -178:sc= 1.22 (180deg=1.18) USER MOD Single : A 106 TYR OH : rot -27:sc= 0.093 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -177:sc=-0.000178 (180deg=-0.0266) USER MOD Single : A 109 MET CE :methyl 152:sc= -0.219 (180deg=-1.9) USER MOD Single : A 111 SER OG : rot 74:sc= 0.692 USER MOD Single : A 112 MET CE :methyl -174:sc= -0.762 (180deg=-0.828) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A -8 -0.653 -3.315 12.967 1.00 0.00 N ATOM 59 CA PHE A -8 -0.854 -3.222 11.515 1.00 0.00 C ATOM 60 C PHE A -8 -0.048 -4.195 10.642 1.00 0.00 C ATOM 61 O PHE A -8 -0.590 -4.866 9.762 1.00 0.00 O ATOM 62 CB PHE A -8 -0.729 -1.762 11.041 1.00 0.00 C ATOM 63 CG PHE A -8 -0.480 -1.610 9.550 1.00 0.00 C ATOM 64 CD1 PHE A -8 -1.561 -1.588 8.650 1.00 0.00 C ATOM 65 CD2 PHE A -8 0.840 -1.565 9.059 1.00 0.00 C ATOM 66 CE1 PHE A -8 -1.322 -1.538 7.266 1.00 0.00 C ATOM 67 CE2 PHE A -8 1.078 -1.521 7.674 1.00 0.00 C ATOM 68 CZ PHE A -8 -0.004 -1.511 6.779 1.00 0.00 C ATOM 0 H1 PHE A -8 -0.699 -2.364 13.385 1.00 0.00 H new ATOM 0 H2 PHE A -8 -1.396 -3.912 13.383 1.00 0.00 H new ATOM 0 H3 PHE A -8 0.278 -3.735 13.162 1.00 0.00 H new ATOM 0 HA PHE A -8 -1.876 -3.568 11.360 1.00 0.00 H new ATOM 0 HB2 PHE A -8 -1.643 -1.228 11.302 1.00 0.00 H new ATOM 0 HB3 PHE A -8 0.086 -1.284 11.585 1.00 0.00 H new ATOM 0 HD1 PHE A -8 -2.574 -1.610 9.023 1.00 0.00 H new ATOM 0 HD2 PHE A -8 1.671 -1.564 9.748 1.00 0.00 H new ATOM 0 HE1 PHE A -8 -2.152 -1.520 6.576 1.00 0.00 H new ATOM 0 HE2 PHE A -8 2.091 -1.495 7.299 1.00 0.00 H new ATOM 0 HZ PHE A -8 0.177 -1.483 5.715 1.00 0.00 H new ATOM 78 N TRP A -7 1.258 -4.296 10.913 1.00 0.00 N ATOM 79 CA TRP A -7 2.177 -5.088 10.093 1.00 0.00 C ATOM 80 C TRP A -7 1.903 -6.596 10.145 1.00 0.00 C ATOM 81 O TRP A -7 2.124 -7.283 9.155 1.00 0.00 O ATOM 82 CB TRP A -7 3.623 -4.736 10.452 1.00 0.00 C ATOM 83 CG TRP A -7 4.684 -5.497 9.713 1.00 0.00 C ATOM 84 CD1 TRP A -7 5.263 -6.642 10.143 1.00 0.00 C ATOM 85 CD2 TRP A -7 5.117 -5.339 8.322 1.00 0.00 C ATOM 86 NE1 TRP A -7 6.104 -7.139 9.165 1.00 0.00 N ATOM 87 CE2 TRP A -7 6.043 -6.384 8.014 1.00 0.00 C ATOM 88 CE3 TRP A -7 4.833 -4.415 7.291 1.00 0.00 C ATOM 89 CZ2 TRP A -7 6.668 -6.495 6.764 1.00 0.00 C ATOM 90 CZ3 TRP A -7 5.466 -4.511 6.034 1.00 0.00 C ATOM 91 CH2 TRP A -7 6.382 -5.544 5.769 1.00 0.00 C ATOM 0 H TRP A -7 1.705 -3.832 11.704 1.00 0.00 H new ATOM 0 HA TRP A -7 2.003 -4.821 9.051 1.00 0.00 H new ATOM 0 HB2 TRP A -7 3.773 -3.672 10.271 1.00 0.00 H new ATOM 0 HB3 TRP A -7 3.762 -4.900 11.520 1.00 0.00 H new ATOM 0 HD1 TRP A -7 5.093 -7.099 11.107 1.00 0.00 H new ATOM 0 HE1 TRP A -7 6.696 -7.962 9.281 1.00 0.00 H new ATOM 0 HE3 TRP A -7 4.120 -3.623 7.468 1.00 0.00 H new ATOM 0 HZ2 TRP A -7 7.360 -7.301 6.568 1.00 0.00 H new ATOM 0 HZ3 TRP A -7 5.245 -3.783 5.267 1.00 0.00 H new ATOM 0 HH2 TRP A -7 6.864 -5.607 4.805 1.00 0.00 H new ATOM 102 N GLU A -6 1.339 -7.124 11.237 1.00 0.00 N ATOM 103 CA GLU A -6 0.915 -8.533 11.305 1.00 0.00 C ATOM 104 C GLU A -6 -0.232 -8.840 10.325 1.00 0.00 C ATOM 105 O GLU A -6 -0.251 -9.901 9.695 1.00 0.00 O ATOM 106 CB GLU A -6 0.501 -8.902 12.737 1.00 0.00 C ATOM 107 CG GLU A -6 1.664 -8.782 13.735 1.00 0.00 C ATOM 108 CD GLU A -6 1.344 -9.356 15.133 1.00 0.00 C ATOM 109 OE1 GLU A -6 0.161 -9.632 15.453 1.00 0.00 O ATOM 110 OE2 GLU A -6 2.295 -9.535 15.932 1.00 0.00 O ATOM 0 H GLU A -6 1.164 -6.596 12.092 1.00 0.00 H new ATOM 0 HA GLU A -6 1.770 -9.141 11.011 1.00 0.00 H new ATOM 0 HB2 GLU A -6 -0.315 -8.253 13.055 1.00 0.00 H new ATOM 0 HB3 GLU A -6 0.119 -9.923 12.750 1.00 0.00 H new ATOM 0 HG2 GLU A -6 2.534 -9.299 13.330 1.00 0.00 H new ATOM 0 HG3 GLU A -6 1.937 -7.732 13.837 1.00 0.00 H new ATOM 117 N TYR A -5 -1.156 -7.890 10.140 1.00 0.00 N ATOM 118 CA TYR A -5 -2.178 -7.935 9.090 1.00 0.00 C ATOM 119 C TYR A -5 -1.660 -7.747 7.659 1.00 0.00 C ATOM 120 O TYR A -5 -2.070 -8.450 6.735 1.00 0.00 O ATOM 121 CB TYR A -5 -3.346 -6.993 9.413 1.00 0.00 C ATOM 122 CG TYR A -5 -4.290 -7.507 10.481 1.00 0.00 C ATOM 123 CD1 TYR A -5 -3.984 -7.317 11.844 1.00 0.00 C ATOM 124 CD2 TYR A -5 -5.484 -8.155 10.110 1.00 0.00 C ATOM 125 CE1 TYR A -5 -4.870 -7.779 12.835 1.00 0.00 C ATOM 126 CE2 TYR A -5 -6.379 -8.606 11.101 1.00 0.00 C ATOM 127 CZ TYR A -5 -6.072 -8.421 12.468 1.00 0.00 C ATOM 128 OH TYR A -5 -6.929 -8.853 13.434 1.00 0.00 O ATOM 0 H TYR A -5 -1.215 -7.056 10.725 1.00 0.00 H new ATOM 0 HA TYR A -5 -2.545 -8.961 9.099 1.00 0.00 H new ATOM 0 HB2 TYR A -5 -2.943 -6.032 9.733 1.00 0.00 H new ATOM 0 HB3 TYR A -5 -3.914 -6.812 8.500 1.00 0.00 H new ATOM 0 HD1 TYR A -5 -3.070 -6.817 12.128 1.00 0.00 H new ATOM 0 HD2 TYR A -5 -5.714 -8.306 9.066 1.00 0.00 H new ATOM 0 HE1 TYR A -5 -4.629 -7.642 13.879 1.00 0.00 H new ATOM 0 HE2 TYR A -5 -7.300 -9.093 10.816 1.00 0.00 H new ATOM 0 HH TYR A -5 -7.709 -9.272 13.015 1.00 0.00 H new ATOM 138 N TRP A -4 -0.722 -6.815 7.481 1.00 0.00 N ATOM 139 CA TRP A -4 -0.123 -6.495 6.181 1.00 0.00 C ATOM 140 C TRP A -4 0.820 -7.605 5.695 1.00 0.00 C ATOM 141 O TRP A -4 0.833 -7.924 4.508 1.00 0.00 O ATOM 142 CB TRP A -4 0.618 -5.161 6.319 1.00 0.00 C ATOM 143 CG TRP A -4 0.964 -4.544 5.008 1.00 0.00 C ATOM 144 CD1 TRP A -4 2.086 -4.791 4.294 1.00 0.00 C ATOM 145 CD2 TRP A -4 0.060 -3.848 4.098 1.00 0.00 C ATOM 146 NE1 TRP A -4 1.973 -4.208 3.048 1.00 0.00 N ATOM 147 CE2 TRP A -4 0.726 -3.658 2.853 1.00 0.00 C ATOM 148 CE3 TRP A -4 -1.270 -3.386 4.194 1.00 0.00 C ATOM 149 CZ2 TRP A -4 0.104 -3.047 1.755 1.00 0.00 C ATOM 150 CZ3 TRP A -4 -1.902 -2.761 3.104 1.00 0.00 C ATOM 151 CH2 TRP A -4 -1.221 -2.593 1.886 1.00 0.00 C ATOM 0 H TRP A -4 -0.351 -6.252 8.246 1.00 0.00 H new ATOM 0 HA TRP A -4 -0.908 -6.415 5.429 1.00 0.00 H new ATOM 0 HB2 TRP A -4 0.000 -4.467 6.888 1.00 0.00 H new ATOM 0 HB3 TRP A -4 1.532 -5.318 6.892 1.00 0.00 H new ATOM 0 HD1 TRP A -4 2.937 -5.356 4.644 1.00 0.00 H new ATOM 0 HE1 TRP A -4 2.722 -4.187 2.356 1.00 0.00 H new ATOM 0 HE3 TRP A -4 -1.811 -3.514 5.120 1.00 0.00 H new ATOM 0 HZ2 TRP A -4 0.635 -2.927 0.822 1.00 0.00 H new ATOM 0 HZ3 TRP A -4 -2.918 -2.408 3.204 1.00 0.00 H new ATOM 0 HH2 TRP A -4 -1.714 -2.116 1.052 1.00 0.00 H new ATOM 162 N LEU A -3 1.551 -8.276 6.588 1.00 0.00 N ATOM 163 CA LEU A -3 2.404 -9.416 6.238 1.00 0.00 C ATOM 164 C LEU A -3 1.594 -10.593 5.660 1.00 0.00 C ATOM 165 O LEU A -3 2.073 -11.305 4.777 1.00 0.00 O ATOM 166 CB LEU A -3 3.211 -9.821 7.487 1.00 0.00 C ATOM 167 CG LEU A -3 4.335 -10.835 7.211 1.00 0.00 C ATOM 168 CD1 LEU A -3 5.519 -10.158 6.519 1.00 0.00 C ATOM 169 CD2 LEU A -3 4.833 -11.434 8.526 1.00 0.00 C ATOM 0 H LEU A -3 1.568 -8.043 7.581 1.00 0.00 H new ATOM 0 HA LEU A -3 3.091 -9.123 5.444 1.00 0.00 H new ATOM 0 HB2 LEU A -3 3.646 -8.925 7.931 1.00 0.00 H new ATOM 0 HB3 LEU A -3 2.529 -10.243 8.225 1.00 0.00 H new ATOM 0 HG LEU A -3 3.929 -11.614 6.566 1.00 0.00 H new ATOM 0 HD11 LEU A -3 6.301 -10.894 6.334 1.00 0.00 H new ATOM 0 HD12 LEU A -3 5.191 -9.731 5.571 1.00 0.00 H new ATOM 0 HD13 LEU A -3 5.910 -9.366 7.158 1.00 0.00 H new ATOM 0 HD21 LEU A -3 5.628 -12.151 8.321 1.00 0.00 H new ATOM 0 HD22 LEU A -3 5.217 -10.639 9.166 1.00 0.00 H new ATOM 0 HD23 LEU A -3 4.010 -11.940 9.030 1.00 0.00 H new ATOM 181 N ARG A -2 0.334 -10.756 6.089 1.00 0.00 N ATOM 182 CA ARG A -2 -0.591 -11.792 5.596 1.00 0.00 C ATOM 183 C ARG A -2 -1.024 -11.572 4.138 1.00 0.00 C ATOM 184 O ARG A -2 -1.489 -12.520 3.503 1.00 0.00 O ATOM 185 CB ARG A -2 -1.752 -11.941 6.601 1.00 0.00 C ATOM 186 CG ARG A -2 -2.844 -12.953 6.220 1.00 0.00 C ATOM 187 CD ARG A -2 -2.319 -14.377 5.979 1.00 0.00 C ATOM 188 NE ARG A -2 -3.391 -15.277 5.511 1.00 0.00 N ATOM 189 CZ ARG A -2 -3.953 -15.296 4.314 1.00 0.00 C ATOM 190 NH1 ARG A -2 -3.588 -14.497 3.349 1.00 0.00 N ATOM 191 NH2 ARG A -2 -4.915 -16.135 4.059 1.00 0.00 N ATOM 0 H ARG A -2 -0.081 -10.159 6.804 1.00 0.00 H new ATOM 0 HA ARG A -2 -0.072 -12.749 5.548 1.00 0.00 H new ATOM 0 HB2 ARG A -2 -1.336 -12.230 7.566 1.00 0.00 H new ATOM 0 HB3 ARG A -2 -2.219 -10.965 6.735 1.00 0.00 H new ATOM 0 HG2 ARG A -2 -3.591 -12.982 7.013 1.00 0.00 H new ATOM 0 HG3 ARG A -2 -3.349 -12.605 5.319 1.00 0.00 H new ATOM 0 HD2 ARG A -2 -1.517 -14.350 5.241 1.00 0.00 H new ATOM 0 HD3 ARG A -2 -1.890 -14.769 6.901 1.00 0.00 H new ATOM 0 HE ARG A -2 -3.737 -15.960 6.185 1.00 0.00 H new ATOM 0 HH11 ARG A -2 -2.840 -13.821 3.502 1.00 0.00 H new ATOM 0 HH12 ARG A -2 -4.051 -14.548 2.442 1.00 0.00 H new ATOM 0 HH21 ARG A -2 -5.236 -16.778 4.783 1.00 0.00 H new ATOM 0 HH22 ARG A -2 -5.348 -16.149 3.136 1.00 0.00 H new ATOM 205 N LEU A -1 -0.827 -10.370 3.587 1.00 0.00 N ATOM 206 CA LEU A -1 -0.958 -10.111 2.150 1.00 0.00 C ATOM 207 C LEU A -1 0.211 -10.760 1.393 1.00 0.00 C ATOM 208 O LEU A -1 0.005 -11.590 0.509 1.00 0.00 O ATOM 209 CB LEU A -1 -0.961 -8.596 1.876 1.00 0.00 C ATOM 210 CG LEU A -1 -2.196 -7.830 2.364 1.00 0.00 C ATOM 211 CD1 LEU A -1 -1.878 -6.342 2.311 1.00 0.00 C ATOM 212 CD2 LEU A -1 -3.409 -8.089 1.469 1.00 0.00 C ATOM 0 H LEU A -1 -0.571 -9.545 4.129 1.00 0.00 H new ATOM 0 HA LEU A -1 -1.900 -10.538 1.806 1.00 0.00 H new ATOM 0 HB2 LEU A -1 -0.078 -8.160 2.344 1.00 0.00 H new ATOM 0 HB3 LEU A -1 -0.862 -8.440 0.802 1.00 0.00 H new ATOM 0 HG LEU A -1 -2.434 -8.162 3.374 1.00 0.00 H new ATOM 0 HD11 LEU A -1 -2.742 -5.773 2.654 1.00 0.00 H new ATOM 0 HD12 LEU A -1 -1.025 -6.129 2.955 1.00 0.00 H new ATOM 0 HD13 LEU A -1 -1.639 -6.057 1.286 1.00 0.00 H new ATOM 0 HD21 LEU A -1 -4.265 -7.530 1.846 1.00 0.00 H new ATOM 0 HD22 LEU A -1 -3.185 -7.768 0.451 1.00 0.00 H new ATOM 0 HD23 LEU A -1 -3.642 -9.154 1.471 1.00 0.00 H new ATOM 224 N MET A 0 1.454 -10.408 1.753 1.00 0.00 N ATOM 225 CA MET A 0 2.637 -10.871 1.018 1.00 0.00 C ATOM 226 C MET A 0 2.933 -12.367 1.245 1.00 0.00 C ATOM 227 O MET A 0 3.586 -12.999 0.415 1.00 0.00 O ATOM 228 CB MET A 0 3.860 -9.998 1.344 1.00 0.00 C ATOM 229 CG MET A 0 4.487 -10.246 2.722 1.00 0.00 C ATOM 230 SD MET A 0 6.175 -9.614 2.905 1.00 0.00 S ATOM 231 CE MET A 0 5.840 -7.852 2.719 1.00 0.00 C ATOM 0 H MET A 0 1.665 -9.805 2.548 1.00 0.00 H new ATOM 0 HA MET A 0 2.413 -10.764 -0.043 1.00 0.00 H new ATOM 0 HB2 MET A 0 4.620 -10.165 0.581 1.00 0.00 H new ATOM 0 HB3 MET A 0 3.567 -8.950 1.278 1.00 0.00 H new ATOM 0 HG2 MET A 0 3.856 -9.786 3.482 1.00 0.00 H new ATOM 0 HG3 MET A 0 4.491 -11.318 2.918 1.00 0.00 H new ATOM 0 HE1 MET A 0 6.709 -7.280 3.045 1.00 0.00 H new ATOM 0 HE2 MET A 0 5.631 -7.630 1.672 1.00 0.00 H new ATOM 0 HE3 MET A 0 4.977 -7.580 3.327 1.00 0.00 H new ATOM 241 N GLU A 1 2.476 -12.935 2.364 1.00 0.00 N ATOM 242 CA GLU A 1 2.536 -14.371 2.685 1.00 0.00 C ATOM 243 C GLU A 1 1.244 -15.140 2.327 1.00 0.00 C ATOM 244 O GLU A 1 1.102 -16.315 2.674 1.00 0.00 O ATOM 245 CB GLU A 1 2.937 -14.569 4.163 1.00 0.00 C ATOM 246 CG GLU A 1 4.329 -14.008 4.508 1.00 0.00 C ATOM 247 CD GLU A 1 5.461 -14.567 3.620 1.00 0.00 C ATOM 248 OE1 GLU A 1 5.411 -15.748 3.205 1.00 0.00 O ATOM 249 OE2 GLU A 1 6.410 -13.812 3.304 1.00 0.00 O ATOM 0 H GLU A 1 2.035 -12.388 3.104 1.00 0.00 H new ATOM 0 HA GLU A 1 3.307 -14.808 2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.194 -14.089 4.799 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.916 -15.634 4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.307 -12.922 4.413 1.00 0.00 H new ATOM 0 HG3 GLU A 1 4.553 -14.232 5.551 1.00 0.00 H new ATOM 678 N LEU A 33 8.963 -8.406 -12.414 1.00 0.00 N ATOM 679 CA LEU A 33 8.780 -6.950 -12.326 1.00 0.00 C ATOM 680 C LEU A 33 7.440 -6.510 -12.947 1.00 0.00 C ATOM 681 O LEU A 33 7.010 -7.053 -13.969 1.00 0.00 O ATOM 682 CB LEU A 33 9.955 -6.218 -13.005 1.00 0.00 C ATOM 683 CG LEU A 33 11.345 -6.492 -12.398 1.00 0.00 C ATOM 684 CD1 LEU A 33 12.416 -5.837 -13.271 1.00 0.00 C ATOM 685 CD2 LEU A 33 11.484 -5.935 -10.980 1.00 0.00 C ATOM 0 HA LEU A 33 8.760 -6.681 -11.270 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.976 -6.499 -14.058 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.765 -5.146 -12.964 1.00 0.00 H new ATOM 0 HG LEU A 33 11.468 -7.574 -12.356 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.401 -6.029 -12.844 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.369 -6.253 -14.278 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.243 -4.762 -13.314 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.481 -6.155 -10.599 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.332 -4.856 -10.996 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.738 -6.397 -10.333 1.00 0.00 H new ATOM 697 N VAL A 34 6.795 -5.508 -12.343 1.00 0.00 N ATOM 698 CA VAL A 34 5.436 -5.034 -12.695 1.00 0.00 C ATOM 699 C VAL A 34 5.361 -3.696 -13.432 1.00 0.00 C ATOM 700 O VAL A 34 4.377 -3.432 -14.124 1.00 0.00 O ATOM 701 CB VAL A 34 4.495 -5.035 -11.471 1.00 0.00 C ATOM 702 CG1 VAL A 34 4.710 -6.252 -10.574 1.00 0.00 C ATOM 703 CG2 VAL A 34 4.636 -3.792 -10.579 1.00 0.00 C ATOM 0 H VAL A 34 7.208 -4.983 -11.572 1.00 0.00 H new ATOM 0 HA VAL A 34 5.093 -5.769 -13.423 1.00 0.00 H new ATOM 0 HB VAL A 34 3.499 -5.050 -11.915 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.025 -6.206 -9.728 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.522 -7.162 -11.144 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.737 -6.258 -10.209 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.943 -3.865 -9.741 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.657 -3.729 -10.202 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.408 -2.899 -11.161 1.00 0.00 H new ATOM 713 N ARG A 35 6.385 -2.853 -13.253 1.00 0.00 N ATOM 714 CA ARG A 35 6.480 -1.452 -13.713 1.00 0.00 C ATOM 715 C ARG A 35 5.205 -0.628 -13.394 1.00 0.00 C ATOM 716 O ARG A 35 4.390 -0.376 -14.287 1.00 0.00 O ATOM 717 CB ARG A 35 6.900 -1.429 -15.199 1.00 0.00 C ATOM 718 CG ARG A 35 7.277 -0.021 -15.691 1.00 0.00 C ATOM 719 CD ARG A 35 7.744 -0.064 -17.150 1.00 0.00 C ATOM 720 NE ARG A 35 8.099 1.285 -17.638 1.00 0.00 N ATOM 721 CZ ARG A 35 8.002 1.739 -18.877 1.00 0.00 C ATOM 722 NH1 ARG A 35 7.588 0.993 -19.863 1.00 0.00 N ATOM 723 NH2 ARG A 35 8.327 2.969 -19.153 1.00 0.00 N ATOM 0 H ARG A 35 7.225 -3.144 -12.752 1.00 0.00 H new ATOM 0 HA ARG A 35 7.260 -0.942 -13.148 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.748 -2.098 -15.342 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.083 -1.815 -15.809 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.418 0.644 -15.598 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.068 0.390 -15.063 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.607 -0.724 -17.239 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.955 -0.484 -17.775 1.00 0.00 H new ATOM 0 HE ARG A 35 8.459 1.939 -16.942 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.325 0.022 -19.693 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.527 1.380 -20.805 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.658 3.587 -18.413 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.251 3.314 -20.110 1.00 0.00 H new ATOM 737 N PRO A 36 4.989 -0.243 -12.120 1.00 0.00 N ATOM 738 CA PRO A 36 3.772 0.447 -11.687 1.00 0.00 C ATOM 739 C PRO A 36 3.715 1.914 -12.151 1.00 0.00 C ATOM 740 O PRO A 36 4.707 2.472 -12.631 1.00 0.00 O ATOM 741 CB PRO A 36 3.782 0.340 -10.164 1.00 0.00 C ATOM 742 CG PRO A 36 5.267 0.327 -9.808 1.00 0.00 C ATOM 743 CD PRO A 36 5.917 -0.377 -11.001 1.00 0.00 C ATOM 0 HA PRO A 36 2.886 -0.008 -12.130 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.267 1.182 -9.701 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.281 -0.566 -9.824 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.657 1.336 -9.677 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.451 -0.209 -8.877 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.880 0.075 -11.240 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.104 -1.427 -10.776 1.00 0.00 H new ATOM 751 N LYS A 37 2.551 2.554 -11.975 1.00 0.00 N ATOM 752 CA LYS A 37 2.340 3.982 -12.287 1.00 0.00 C ATOM 753 C LYS A 37 3.303 4.901 -11.500 1.00 0.00 C ATOM 754 O LYS A 37 3.644 4.584 -10.355 1.00 0.00 O ATOM 755 CB LYS A 37 0.854 4.361 -12.090 1.00 0.00 C ATOM 756 CG LYS A 37 0.335 4.318 -10.640 1.00 0.00 C ATOM 757 CD LYS A 37 -1.072 4.932 -10.522 1.00 0.00 C ATOM 758 CE LYS A 37 -2.166 4.059 -11.152 1.00 0.00 C ATOM 759 NZ LYS A 37 -3.478 4.759 -11.190 1.00 0.00 N ATOM 0 H LYS A 37 1.718 2.094 -11.608 1.00 0.00 H new ATOM 0 HA LYS A 37 2.582 4.140 -13.338 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.701 5.367 -12.481 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.244 3.689 -12.694 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.312 3.285 -10.292 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.024 4.858 -9.990 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.305 5.092 -9.469 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.076 5.911 -11.002 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.872 3.782 -12.165 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.264 3.134 -10.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.191 4.137 -11.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.771 5.001 -10.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.391 5.629 -11.753 1.00 0.00 H new ATOM 773 N PRO A 38 3.712 6.065 -12.048 1.00 0.00 N ATOM 774 CA PRO A 38 4.661 6.973 -11.386 1.00 0.00 C ATOM 775 C PRO A 38 4.142 7.541 -10.053 1.00 0.00 C ATOM 776 O PRO A 38 4.933 7.837 -9.156 1.00 0.00 O ATOM 777 CB PRO A 38 4.951 8.080 -12.407 1.00 0.00 C ATOM 778 CG PRO A 38 3.720 8.079 -13.311 1.00 0.00 C ATOM 779 CD PRO A 38 3.340 6.600 -13.353 1.00 0.00 C ATOM 0 HA PRO A 38 5.565 6.434 -11.102 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.089 9.046 -11.921 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.861 7.875 -12.971 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.917 8.693 -12.903 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.946 8.468 -14.304 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.273 6.474 -13.539 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.867 6.082 -14.154 1.00 0.00 H new ATOM 787 N LEU A 39 2.817 7.626 -9.879 1.00 0.00 N ATOM 788 CA LEU A 39 2.180 8.003 -8.612 1.00 0.00 C ATOM 789 C LEU A 39 2.515 7.017 -7.473 1.00 0.00 C ATOM 790 O LEU A 39 2.709 7.438 -6.332 1.00 0.00 O ATOM 791 CB LEU A 39 0.660 8.115 -8.858 1.00 0.00 C ATOM 792 CG LEU A 39 -0.152 8.698 -7.685 1.00 0.00 C ATOM 793 CD1 LEU A 39 0.145 10.186 -7.487 1.00 0.00 C ATOM 794 CD2 LEU A 39 -1.648 8.554 -7.962 1.00 0.00 C ATOM 0 H LEU A 39 2.149 7.432 -10.625 1.00 0.00 H new ATOM 0 HA LEU A 39 2.570 8.965 -8.279 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.495 8.737 -9.738 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.272 7.124 -9.091 1.00 0.00 H new ATOM 0 HG LEU A 39 0.132 8.147 -6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.444 10.567 -6.652 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.206 10.320 -7.274 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.115 10.733 -8.393 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.214 8.969 -7.128 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.902 9.091 -8.876 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.896 7.499 -8.080 1.00 0.00 H new ATOM 806 N LEU A 40 2.634 5.717 -7.780 1.00 0.00 N ATOM 807 CA LEU A 40 3.055 4.700 -6.812 1.00 0.00 C ATOM 808 C LEU A 40 4.562 4.734 -6.577 1.00 0.00 C ATOM 809 O LEU A 40 5.005 4.657 -5.437 1.00 0.00 O ATOM 810 CB LEU A 40 2.604 3.303 -7.268 1.00 0.00 C ATOM 811 CG LEU A 40 2.867 2.202 -6.215 1.00 0.00 C ATOM 812 CD1 LEU A 40 2.100 2.440 -4.915 1.00 0.00 C ATOM 813 CD2 LEU A 40 2.441 0.845 -6.764 1.00 0.00 C ATOM 0 H LEU A 40 2.440 5.343 -8.709 1.00 0.00 H new ATOM 0 HA LEU A 40 2.573 4.928 -5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.539 3.330 -7.498 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.123 3.045 -8.191 1.00 0.00 H new ATOM 0 HG LEU A 40 3.936 2.227 -6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.321 1.638 -4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.402 3.395 -4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.030 2.457 -5.122 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.629 0.075 -6.016 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.378 0.867 -7.003 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.011 0.622 -7.666 1.00 0.00 H new ATOM 825 N LEU A 41 5.355 4.913 -7.636 1.00 0.00 N ATOM 826 CA LEU A 41 6.809 5.070 -7.527 1.00 0.00 C ATOM 827 C LEU A 41 7.184 6.201 -6.551 1.00 0.00 C ATOM 828 O LEU A 41 8.066 6.018 -5.715 1.00 0.00 O ATOM 829 CB LEU A 41 7.383 5.269 -8.940 1.00 0.00 C ATOM 830 CG LEU A 41 8.884 5.596 -8.997 1.00 0.00 C ATOM 831 CD1 LEU A 41 9.752 4.514 -8.354 1.00 0.00 C ATOM 832 CD2 LEU A 41 9.321 5.751 -10.453 1.00 0.00 C ATOM 0 H LEU A 41 5.008 4.953 -8.594 1.00 0.00 H new ATOM 0 HA LEU A 41 7.254 4.171 -7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.203 4.363 -9.519 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.833 6.074 -9.428 1.00 0.00 H new ATOM 0 HG LEU A 41 9.023 6.521 -8.438 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.801 4.800 -8.424 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.476 4.402 -7.306 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.598 3.568 -8.873 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.385 5.983 -10.491 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.133 4.821 -10.990 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.757 6.559 -10.918 1.00 0.00 H new ATOM 844 N LYS A 42 6.457 7.325 -6.569 1.00 0.00 N ATOM 845 CA LYS A 42 6.609 8.418 -5.592 1.00 0.00 C ATOM 846 C LYS A 42 6.334 7.975 -4.143 1.00 0.00 C ATOM 847 O LYS A 42 7.080 8.352 -3.239 1.00 0.00 O ATOM 848 CB LYS A 42 5.697 9.580 -6.020 1.00 0.00 C ATOM 849 CG LYS A 42 5.821 10.804 -5.097 1.00 0.00 C ATOM 850 CD LYS A 42 5.085 12.035 -5.649 1.00 0.00 C ATOM 851 CE LYS A 42 3.562 11.845 -5.674 1.00 0.00 C ATOM 852 NZ LYS A 42 2.872 13.073 -6.154 1.00 0.00 N ATOM 0 H LYS A 42 5.738 7.506 -7.269 1.00 0.00 H new ATOM 0 HA LYS A 42 7.649 8.743 -5.592 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.944 9.873 -7.040 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.662 9.240 -6.028 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.420 10.556 -4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.875 11.046 -4.960 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.330 12.905 -5.039 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.439 12.244 -6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.309 11.006 -6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.208 11.594 -4.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.844 12.914 -6.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.096 13.867 -5.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.193 13.297 -7.117 1.00 0.00 H new ATOM 866 N LEU A 43 5.316 7.143 -3.915 1.00 0.00 N ATOM 867 CA LEU A 43 5.010 6.558 -2.601 1.00 0.00 C ATOM 868 C LEU A 43 6.128 5.618 -2.114 1.00 0.00 C ATOM 869 O LEU A 43 6.550 5.709 -0.961 1.00 0.00 O ATOM 870 CB LEU A 43 3.631 5.867 -2.663 1.00 0.00 C ATOM 871 CG LEU A 43 3.127 5.317 -1.313 1.00 0.00 C ATOM 872 CD1 LEU A 43 1.598 5.267 -1.296 1.00 0.00 C ATOM 873 CD2 LEU A 43 3.605 3.888 -1.027 1.00 0.00 C ATOM 0 H LEU A 43 4.669 6.850 -4.647 1.00 0.00 H new ATOM 0 HA LEU A 43 4.961 7.353 -1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.900 6.579 -3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.682 5.046 -3.378 1.00 0.00 H new ATOM 0 HG LEU A 43 3.529 5.994 -0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.257 4.877 -0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.199 6.271 -1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.246 4.617 -2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.216 3.560 -0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.245 3.220 -1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.695 3.866 -1.005 1.00 0.00 H new ATOM 885 N LEU A 44 6.660 4.759 -2.992 1.00 0.00 N ATOM 886 CA LEU A 44 7.772 3.856 -2.671 1.00 0.00 C ATOM 887 C LEU A 44 9.051 4.663 -2.358 1.00 0.00 C ATOM 888 O LEU A 44 9.744 4.406 -1.374 1.00 0.00 O ATOM 889 CB LEU A 44 7.974 2.857 -3.835 1.00 0.00 C ATOM 890 CG LEU A 44 6.731 2.027 -4.232 1.00 0.00 C ATOM 891 CD1 LEU A 44 6.973 1.294 -5.551 1.00 0.00 C ATOM 892 CD2 LEU A 44 6.345 0.979 -3.194 1.00 0.00 C ATOM 0 H LEU A 44 6.328 4.670 -3.952 1.00 0.00 H new ATOM 0 HA LEU A 44 7.537 3.282 -1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.312 3.412 -4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.775 2.170 -3.564 1.00 0.00 H new ATOM 0 HG LEU A 44 5.919 2.749 -4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.087 0.716 -5.814 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.179 2.020 -6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.826 0.623 -5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.466 0.434 -3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.172 0.283 -3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.121 1.470 -2.247 1.00 0.00 H new ATOM 904 N LYS A 45 9.336 5.712 -3.136 1.00 0.00 N ATOM 905 CA LYS A 45 10.469 6.631 -2.919 1.00 0.00 C ATOM 906 C LYS A 45 10.322 7.539 -1.694 1.00 0.00 C ATOM 907 O LYS A 45 11.338 7.958 -1.140 1.00 0.00 O ATOM 908 CB LYS A 45 10.718 7.445 -4.191 1.00 0.00 C ATOM 909 CG LYS A 45 11.228 6.533 -5.318 1.00 0.00 C ATOM 910 CD LYS A 45 11.230 7.264 -6.659 1.00 0.00 C ATOM 911 CE LYS A 45 12.475 8.123 -6.812 1.00 0.00 C ATOM 912 NZ LYS A 45 12.430 8.967 -8.037 1.00 0.00 N ATOM 0 H LYS A 45 8.776 5.955 -3.953 1.00 0.00 H new ATOM 0 HA LYS A 45 11.337 6.010 -2.698 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.797 7.937 -4.502 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.447 8.230 -3.991 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.237 6.191 -5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.598 5.646 -5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.182 6.539 -7.472 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.341 7.890 -6.737 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.583 8.763 -5.936 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.355 7.481 -6.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.299 9.535 -8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.354 8.357 -8.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.606 9.599 -7.993 1.00 0.00 H new ATOM 926 N SER A 46 9.104 7.762 -1.198 1.00 0.00 N ATOM 927 CA SER A 46 8.860 8.436 0.092 1.00 0.00 C ATOM 928 C SER A 46 9.403 7.641 1.294 1.00 0.00 C ATOM 929 O SER A 46 9.680 8.227 2.342 1.00 0.00 O ATOM 930 CB SER A 46 7.369 8.731 0.289 1.00 0.00 C ATOM 931 OG SER A 46 6.906 9.632 -0.703 1.00 0.00 O ATOM 0 H SER A 46 8.249 7.481 -1.678 1.00 0.00 H new ATOM 0 HA SER A 46 9.408 9.377 0.050 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.799 7.803 0.240 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.204 9.155 1.279 1.00 0.00 H new ATOM 0 HG SER A 46 6.961 9.206 -1.584 1.00 0.00 H new ATOM 937 N VAL A 47 9.612 6.327 1.129 1.00 0.00 N ATOM 938 CA VAL A 47 10.343 5.441 2.064 1.00 0.00 C ATOM 939 C VAL A 47 11.717 4.992 1.531 1.00 0.00 C ATOM 940 O VAL A 47 12.334 4.075 2.076 1.00 0.00 O ATOM 941 CB VAL A 47 9.472 4.280 2.585 1.00 0.00 C ATOM 942 CG1 VAL A 47 8.158 4.793 3.176 1.00 0.00 C ATOM 943 CG2 VAL A 47 9.133 3.226 1.526 1.00 0.00 C ATOM 0 H VAL A 47 9.265 5.827 0.310 1.00 0.00 H new ATOM 0 HA VAL A 47 10.571 6.051 2.938 1.00 0.00 H new ATOM 0 HB VAL A 47 10.086 3.804 3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.567 3.950 3.534 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.371 5.466 4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.599 5.329 2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.518 2.445 1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.585 3.695 0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.054 2.787 1.141 1.00 0.00 H new ATOM 953 N GLY A 48 12.232 5.668 0.497 1.00 0.00 N ATOM 954 CA GLY A 48 13.602 5.519 -0.002 1.00 0.00 C ATOM 955 C GLY A 48 13.838 4.279 -0.869 1.00 0.00 C ATOM 956 O GLY A 48 14.926 3.700 -0.811 1.00 0.00 O ATOM 0 H GLY A 48 11.690 6.353 -0.030 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.861 6.405 -0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.282 5.485 0.849 1.00 0.00 H new ATOM 960 N ALA A 49 12.843 3.843 -1.650 1.00 0.00 N ATOM 961 CA ALA A 49 12.971 2.667 -2.506 1.00 0.00 C ATOM 962 C ALA A 49 14.004 2.921 -3.635 1.00 0.00 C ATOM 963 O ALA A 49 14.040 4.000 -4.237 1.00 0.00 O ATOM 964 CB ALA A 49 11.565 2.274 -2.961 1.00 0.00 C ATOM 0 H ALA A 49 11.931 4.296 -1.704 1.00 0.00 H new ATOM 0 HA ALA A 49 13.383 1.808 -1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.623 1.396 -3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.951 2.045 -2.090 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.117 3.100 -3.514 1.00 0.00 H new ATOM 970 N GLN A 50 14.880 1.942 -3.892 1.00 0.00 N ATOM 971 CA GLN A 50 16.113 2.102 -4.691 1.00 0.00 C ATOM 972 C GLN A 50 16.004 2.012 -6.232 1.00 0.00 C ATOM 973 O GLN A 50 17.015 2.189 -6.919 1.00 0.00 O ATOM 974 CB GLN A 50 17.161 1.097 -4.169 1.00 0.00 C ATOM 975 CG GLN A 50 17.544 1.338 -2.696 1.00 0.00 C ATOM 976 CD GLN A 50 18.670 0.415 -2.235 1.00 0.00 C ATOM 977 OE1 GLN A 50 18.454 -0.616 -1.610 1.00 0.00 O ATOM 978 NE2 GLN A 50 19.893 0.637 -2.673 1.00 0.00 N ATOM 0 H GLN A 50 14.753 0.992 -3.544 1.00 0.00 H new ATOM 0 HA GLN A 50 16.400 3.143 -4.542 1.00 0.00 H new ATOM 0 HB2 GLN A 50 16.771 0.085 -4.276 1.00 0.00 H new ATOM 0 HB3 GLN A 50 18.057 1.161 -4.787 1.00 0.00 H new ATOM 0 HG2 GLN A 50 17.851 2.376 -2.567 1.00 0.00 H new ATOM 0 HG3 GLN A 50 16.669 1.184 -2.065 1.00 0.00 H new ATOM 0 HE21 GLN A 50 20.101 1.488 -3.196 1.00 0.00 H new ATOM 0 HE22 GLN A 50 20.632 -0.042 -2.489 1.00 0.00 H new ATOM 987 N LYS A 51 14.824 1.721 -6.793 1.00 0.00 N ATOM 988 CA LYS A 51 14.612 1.387 -8.221 1.00 0.00 C ATOM 989 C LYS A 51 13.479 2.189 -8.882 1.00 0.00 C ATOM 990 O LYS A 51 12.759 2.941 -8.227 1.00 0.00 O ATOM 991 CB LYS A 51 14.333 -0.126 -8.347 1.00 0.00 C ATOM 992 CG LYS A 51 15.430 -1.031 -7.758 1.00 0.00 C ATOM 993 CD LYS A 51 15.160 -2.516 -8.042 1.00 0.00 C ATOM 994 CE LYS A 51 13.910 -3.025 -7.310 1.00 0.00 C ATOM 995 NZ LYS A 51 13.568 -4.407 -7.722 1.00 0.00 N ATOM 0 H LYS A 51 13.958 1.709 -6.255 1.00 0.00 H new ATOM 0 HA LYS A 51 15.523 1.661 -8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.389 -0.351 -7.850 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.205 -0.372 -9.401 1.00 0.00 H new ATOM 0 HG2 LYS A 51 16.396 -0.751 -8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.492 -0.873 -6.681 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.037 -2.663 -9.115 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.024 -3.106 -7.737 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.080 -2.996 -6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.070 -2.363 -7.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.633 -4.661 -7.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.549 -4.465 -8.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.282 -5.066 -7.351 1.00 0.00 H new ATOM 1009 N ASP A 52 13.305 1.995 -10.189 1.00 0.00 N ATOM 1010 CA ASP A 52 12.159 2.454 -10.992 1.00 0.00 C ATOM 1011 C ASP A 52 11.176 1.345 -11.435 1.00 0.00 C ATOM 1012 O ASP A 52 10.152 1.618 -12.065 1.00 0.00 O ATOM 1013 CB ASP A 52 12.590 3.390 -12.137 1.00 0.00 C ATOM 1014 CG ASP A 52 13.768 2.904 -13.007 1.00 0.00 C ATOM 1015 OD1 ASP A 52 14.200 1.731 -12.903 1.00 0.00 O ATOM 1016 OD2 ASP A 52 14.263 3.716 -13.826 1.00 0.00 O ATOM 0 H ASP A 52 13.991 1.489 -10.750 1.00 0.00 H new ATOM 0 HA ASP A 52 11.560 3.051 -10.305 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.730 3.556 -12.786 1.00 0.00 H new ATOM 0 HB3 ASP A 52 12.856 4.356 -11.708 1.00 0.00 H new ATOM 1021 N THR A 53 11.466 0.091 -11.071 1.00 0.00 N ATOM 1022 CA THR A 53 10.669 -1.117 -11.367 1.00 0.00 C ATOM 1023 C THR A 53 10.768 -2.032 -10.141 1.00 0.00 C ATOM 1024 O THR A 53 11.812 -2.127 -9.490 1.00 0.00 O ATOM 1025 CB THR A 53 11.240 -1.906 -12.566 1.00 0.00 C ATOM 1026 OG1 THR A 53 12.655 -1.910 -12.588 1.00 0.00 O ATOM 1027 CG2 THR A 53 10.751 -1.340 -13.895 1.00 0.00 C ATOM 0 H THR A 53 12.306 -0.126 -10.534 1.00 0.00 H new ATOM 0 HA THR A 53 9.649 -0.813 -11.602 1.00 0.00 H new ATOM 0 HB THR A 53 10.880 -2.927 -12.437 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.969 -2.422 -13.362 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.173 -1.921 -14.715 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.663 -1.394 -13.935 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.067 -0.301 -13.986 1.00 0.00 H new ATOM 1035 N TYR A 54 9.670 -2.732 -9.836 1.00 0.00 N ATOM 1036 CA TYR A 54 9.500 -3.543 -8.623 1.00 0.00 C ATOM 1037 C TYR A 54 8.666 -4.809 -8.833 1.00 0.00 C ATOM 1038 O TYR A 54 7.865 -4.864 -9.766 1.00 0.00 O ATOM 1039 CB TYR A 54 8.851 -2.696 -7.517 1.00 0.00 C ATOM 1040 CG TYR A 54 9.692 -1.533 -7.044 1.00 0.00 C ATOM 1041 CD1 TYR A 54 10.696 -1.731 -6.075 1.00 0.00 C ATOM 1042 CD2 TYR A 54 9.485 -0.258 -7.603 1.00 0.00 C ATOM 1043 CE1 TYR A 54 11.495 -0.648 -5.664 1.00 0.00 C ATOM 1044 CE2 TYR A 54 10.291 0.820 -7.205 1.00 0.00 C ATOM 1045 CZ TYR A 54 11.293 0.626 -6.235 1.00 0.00 C ATOM 1046 OH TYR A 54 12.085 1.664 -5.877 1.00 0.00 O ATOM 0 H TYR A 54 8.851 -2.751 -10.443 1.00 0.00 H new ATOM 0 HA TYR A 54 10.501 -3.867 -8.337 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.897 -2.314 -7.882 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.632 -3.340 -6.665 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.852 -2.711 -5.649 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.707 -0.109 -8.337 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.259 -0.792 -4.915 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.143 1.796 -7.642 1.00 0.00 H new ATOM 0 HH TYR A 54 12.219 2.254 -6.648 1.00 0.00 H new ATOM 1056 N THR A 55 8.830 -5.809 -7.968 1.00 0.00 N ATOM 1057 CA THR A 55 7.931 -6.976 -7.860 1.00 0.00 C ATOM 1058 C THR A 55 6.691 -6.721 -6.996 1.00 0.00 C ATOM 1059 O THR A 55 6.696 -5.809 -6.170 1.00 0.00 O ATOM 1060 CB THR A 55 8.645 -8.280 -7.454 1.00 0.00 C ATOM 1061 OG1 THR A 55 8.685 -8.390 -6.046 1.00 0.00 O ATOM 1062 CG2 THR A 55 10.072 -8.418 -7.984 1.00 0.00 C ATOM 0 H THR A 55 9.605 -5.839 -7.306 1.00 0.00 H new ATOM 0 HA THR A 55 7.576 -7.125 -8.880 1.00 0.00 H new ATOM 0 HB THR A 55 8.058 -9.078 -7.909 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.139 -9.222 -5.796 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.495 -9.365 -7.649 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.060 -8.392 -9.074 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.681 -7.596 -7.608 1.00 0.00 H new ATOM 1070 N MET A 56 5.630 -7.530 -7.118 1.00 0.00 N ATOM 1071 CA MET A 56 4.447 -7.412 -6.245 1.00 0.00 C ATOM 1072 C MET A 56 4.789 -7.570 -4.752 1.00 0.00 C ATOM 1073 O MET A 56 4.233 -6.857 -3.915 1.00 0.00 O ATOM 1074 CB MET A 56 3.372 -8.428 -6.668 1.00 0.00 C ATOM 1075 CG MET A 56 2.955 -8.194 -8.122 1.00 0.00 C ATOM 1076 SD MET A 56 1.507 -9.105 -8.699 1.00 0.00 S ATOM 1077 CE MET A 56 0.353 -7.726 -8.569 1.00 0.00 C ATOM 0 H MET A 56 5.564 -8.274 -7.812 1.00 0.00 H new ATOM 0 HA MET A 56 4.057 -6.402 -6.368 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.756 -9.442 -6.552 1.00 0.00 H new ATOM 0 HB3 MET A 56 2.503 -8.340 -6.016 1.00 0.00 H new ATOM 0 HG2 MET A 56 2.764 -7.129 -8.255 1.00 0.00 H new ATOM 0 HG3 MET A 56 3.798 -8.450 -8.764 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.632 -8.042 -8.914 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.287 -7.404 -7.530 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.705 -6.898 -9.184 1.00 0.00 H new ATOM 1087 N LYS A 57 5.755 -8.441 -4.418 1.00 0.00 N ATOM 1088 CA LYS A 57 6.280 -8.621 -3.055 1.00 0.00 C ATOM 1089 C LYS A 57 6.997 -7.359 -2.564 1.00 0.00 C ATOM 1090 O LYS A 57 6.745 -6.904 -1.451 1.00 0.00 O ATOM 1091 CB LYS A 57 7.231 -9.831 -3.048 1.00 0.00 C ATOM 1092 CG LYS A 57 7.600 -10.309 -1.632 1.00 0.00 C ATOM 1093 CD LYS A 57 6.714 -11.478 -1.181 1.00 0.00 C ATOM 1094 CE LYS A 57 7.134 -11.960 0.213 1.00 0.00 C ATOM 1095 NZ LYS A 57 6.436 -13.213 0.591 1.00 0.00 N ATOM 0 H LYS A 57 6.202 -9.052 -5.102 1.00 0.00 H new ATOM 0 HA LYS A 57 5.451 -8.803 -2.371 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.765 -10.653 -3.591 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.143 -9.570 -3.585 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.646 -10.616 -1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.497 -9.482 -0.930 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.670 -11.166 -1.166 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.791 -12.298 -1.895 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.212 -12.123 0.233 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.915 -11.185 0.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.583 -13.400 1.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.418 -13.114 0.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.817 -14.004 0.034 1.00 0.00 H new ATOM 1109 N GLU A 58 7.846 -6.765 -3.404 1.00 0.00 N ATOM 1110 CA GLU A 58 8.574 -5.524 -3.100 1.00 0.00 C ATOM 1111 C GLU A 58 7.645 -4.313 -2.926 1.00 0.00 C ATOM 1112 O GLU A 58 7.833 -3.523 -1.998 1.00 0.00 O ATOM 1113 CB GLU A 58 9.588 -5.226 -4.209 1.00 0.00 C ATOM 1114 CG GLU A 58 10.771 -6.204 -4.225 1.00 0.00 C ATOM 1115 CD GLU A 58 11.698 -5.980 -5.434 1.00 0.00 C ATOM 1116 OE1 GLU A 58 11.303 -5.301 -6.412 1.00 0.00 O ATOM 1117 OE2 GLU A 58 12.852 -6.467 -5.414 1.00 0.00 O ATOM 0 H GLU A 58 8.053 -7.136 -4.331 1.00 0.00 H new ATOM 0 HA GLU A 58 9.083 -5.686 -2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.082 -5.262 -5.174 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.966 -4.211 -4.084 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.344 -6.092 -3.305 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.394 -7.227 -4.244 1.00 0.00 H new ATOM 1124 N VAL A 59 6.618 -4.184 -3.775 1.00 0.00 N ATOM 1125 CA VAL A 59 5.602 -3.128 -3.662 1.00 0.00 C ATOM 1126 C VAL A 59 4.831 -3.294 -2.350 1.00 0.00 C ATOM 1127 O VAL A 59 4.722 -2.321 -1.609 1.00 0.00 O ATOM 1128 CB VAL A 59 4.645 -3.122 -4.872 1.00 0.00 C ATOM 1129 CG1 VAL A 59 3.487 -2.134 -4.691 1.00 0.00 C ATOM 1130 CG2 VAL A 59 5.376 -2.707 -6.155 1.00 0.00 C ATOM 0 H VAL A 59 6.467 -4.812 -4.564 1.00 0.00 H new ATOM 0 HA VAL A 59 6.109 -2.163 -3.657 1.00 0.00 H new ATOM 0 HB VAL A 59 4.263 -4.140 -4.946 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.841 -2.166 -5.568 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.911 -2.406 -3.806 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.884 -1.126 -4.569 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.676 -2.712 -6.990 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.787 -1.705 -6.032 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.186 -3.409 -6.356 1.00 0.00 H new ATOM 1140 N LEU A 60 4.352 -4.502 -2.009 1.00 0.00 N ATOM 1141 CA LEU A 60 3.693 -4.757 -0.717 1.00 0.00 C ATOM 1142 C LEU A 60 4.624 -4.422 0.461 1.00 0.00 C ATOM 1143 O LEU A 60 4.209 -3.738 1.396 1.00 0.00 O ATOM 1144 CB LEU A 60 3.232 -6.227 -0.623 1.00 0.00 C ATOM 1145 CG LEU A 60 1.966 -6.565 -1.430 1.00 0.00 C ATOM 1146 CD1 LEU A 60 1.747 -8.079 -1.439 1.00 0.00 C ATOM 1147 CD2 LEU A 60 0.710 -5.923 -0.831 1.00 0.00 C ATOM 0 H LEU A 60 4.409 -5.321 -2.614 1.00 0.00 H new ATOM 0 HA LEU A 60 2.820 -4.107 -0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.044 -6.869 -0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.052 -6.469 0.424 1.00 0.00 H new ATOM 0 HG LEU A 60 2.121 -6.176 -2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.850 -8.313 -2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.607 -8.568 -1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.628 -8.436 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.158 -6.190 -1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.568 -6.283 0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.825 -4.839 -0.820 1.00 0.00 H new ATOM 1159 N PHE A 61 5.886 -4.853 0.401 1.00 0.00 N ATOM 1160 CA PHE A 61 6.921 -4.537 1.386 1.00 0.00 C ATOM 1161 C PHE A 61 7.146 -3.049 1.682 1.00 0.00 C ATOM 1162 O PHE A 61 7.082 -2.618 2.837 1.00 0.00 O ATOM 1163 CB PHE A 61 8.203 -5.328 1.071 1.00 0.00 C ATOM 1164 CG PHE A 61 9.483 -4.851 1.732 1.00 0.00 C ATOM 1165 CD1 PHE A 61 9.794 -5.262 3.042 1.00 0.00 C ATOM 1166 CD2 PHE A 61 10.393 -4.044 1.020 1.00 0.00 C ATOM 1167 CE1 PHE A 61 11.011 -4.874 3.634 1.00 0.00 C ATOM 1168 CE2 PHE A 61 11.611 -3.663 1.610 1.00 0.00 C ATOM 1169 CZ PHE A 61 11.921 -4.079 2.916 1.00 0.00 C ATOM 0 H PHE A 61 6.225 -5.448 -0.355 1.00 0.00 H new ATOM 0 HA PHE A 61 6.538 -4.875 2.349 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.040 -6.367 1.358 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.353 -5.315 -0.009 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.098 -5.876 3.594 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.154 -3.717 0.019 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.246 -5.187 4.641 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.309 -3.050 1.059 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.858 -3.788 3.368 1.00 0.00 H new ATOM 1179 N TYR A 62 7.362 -2.243 0.643 1.00 0.00 N ATOM 1180 CA TYR A 62 7.491 -0.790 0.762 1.00 0.00 C ATOM 1181 C TYR A 62 6.208 -0.002 1.070 1.00 0.00 C ATOM 1182 O TYR A 62 6.245 0.970 1.824 1.00 0.00 O ATOM 1183 CB TYR A 62 8.250 -0.219 -0.439 1.00 0.00 C ATOM 1184 CG TYR A 62 9.749 -0.463 -0.475 1.00 0.00 C ATOM 1185 CD1 TYR A 62 10.580 0.019 0.557 1.00 0.00 C ATOM 1186 CD2 TYR A 62 10.321 -1.127 -1.580 1.00 0.00 C ATOM 1187 CE1 TYR A 62 11.977 -0.134 0.470 1.00 0.00 C ATOM 1188 CE2 TYR A 62 11.716 -1.294 -1.665 1.00 0.00 C ATOM 1189 CZ TYR A 62 12.550 -0.784 -0.645 1.00 0.00 C ATOM 1190 OH TYR A 62 13.902 -0.921 -0.728 1.00 0.00 O ATOM 0 H TYR A 62 7.453 -2.583 -0.314 1.00 0.00 H new ATOM 0 HA TYR A 62 8.075 -0.644 1.671 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.815 -0.637 -1.347 1.00 0.00 H new ATOM 0 HB3 TYR A 62 8.079 0.857 -0.470 1.00 0.00 H new ATOM 0 HD1 TYR A 62 10.144 0.507 1.416 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.685 -1.509 -2.365 1.00 0.00 H new ATOM 0 HE1 TYR A 62 12.611 0.246 1.257 1.00 0.00 H new ATOM 0 HE2 TYR A 62 12.148 -1.811 -2.509 1.00 0.00 H new ATOM 0 HH TYR A 62 14.133 -1.392 -1.556 1.00 0.00 H new ATOM 1200 N LEU A 63 5.056 -0.440 0.552 1.00 0.00 N ATOM 1201 CA LEU A 63 3.749 0.151 0.838 1.00 0.00 C ATOM 1202 C LEU A 63 3.359 -0.027 2.315 1.00 0.00 C ATOM 1203 O LEU A 63 2.923 0.930 2.955 1.00 0.00 O ATOM 1204 CB LEU A 63 2.729 -0.460 -0.141 1.00 0.00 C ATOM 1205 CG LEU A 63 1.260 -0.065 0.074 1.00 0.00 C ATOM 1206 CD1 LEU A 63 1.052 1.445 0.084 1.00 0.00 C ATOM 1207 CD2 LEU A 63 0.406 -0.648 -1.058 1.00 0.00 C ATOM 0 H LEU A 63 5.007 -1.231 -0.090 1.00 0.00 H new ATOM 0 HA LEU A 63 3.775 1.230 0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.015 -0.177 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.804 -1.546 -0.080 1.00 0.00 H new ATOM 0 HG LEU A 63 0.967 -0.459 1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.004 1.666 0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.638 1.888 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.373 1.863 -0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.637 -0.369 -0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.752 -0.256 -2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.495 -1.734 -1.058 1.00 0.00 H new ATOM 1219 N GLY A 64 3.612 -1.203 2.898 1.00 0.00 N ATOM 1220 CA GLY A 64 3.436 -1.429 4.335 1.00 0.00 C ATOM 1221 C GLY A 64 4.351 -0.542 5.188 1.00 0.00 C ATOM 1222 O GLY A 64 3.897 0.053 6.164 1.00 0.00 O ATOM 0 H GLY A 64 3.943 -2.022 2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.397 -1.238 4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.637 -2.476 4.562 1.00 0.00 H new ATOM 1226 N GLN A 65 5.614 -0.362 4.781 1.00 0.00 N ATOM 1227 CA GLN A 65 6.530 0.601 5.413 1.00 0.00 C ATOM 1228 C GLN A 65 6.051 2.058 5.305 1.00 0.00 C ATOM 1229 O GLN A 65 6.214 2.823 6.258 1.00 0.00 O ATOM 1230 CB GLN A 65 7.948 0.453 4.836 1.00 0.00 C ATOM 1231 CG GLN A 65 8.646 -0.809 5.356 1.00 0.00 C ATOM 1232 CD GLN A 65 9.907 -1.134 4.567 1.00 0.00 C ATOM 1233 OE1 GLN A 65 11.012 -0.713 4.885 1.00 0.00 O ATOM 1234 NE2 GLN A 65 9.759 -1.756 3.422 1.00 0.00 N ATOM 0 H GLN A 65 6.031 -0.878 4.006 1.00 0.00 H new ATOM 0 HA GLN A 65 6.545 0.362 6.476 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.896 0.417 3.748 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.540 1.330 5.098 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.901 -0.674 6.407 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.957 -1.652 5.301 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.842 -2.110 3.149 1.00 0.00 H new ATOM 0 HE22 GLN A 65 10.561 -1.886 2.805 1.00 0.00 H new ATOM 1243 N TYR A 66 5.415 2.440 4.193 1.00 0.00 N ATOM 1244 CA TYR A 66 4.822 3.767 4.029 1.00 0.00 C ATOM 1245 C TYR A 66 3.643 4.000 4.976 1.00 0.00 C ATOM 1246 O TYR A 66 3.618 4.982 5.716 1.00 0.00 O ATOM 1247 CB TYR A 66 4.487 4.031 2.555 1.00 0.00 C ATOM 1248 CG TYR A 66 3.786 5.351 2.297 1.00 0.00 C ATOM 1249 CD1 TYR A 66 4.559 6.496 2.024 1.00 0.00 C ATOM 1250 CD2 TYR A 66 2.379 5.440 2.308 1.00 0.00 C ATOM 1251 CE1 TYR A 66 3.936 7.727 1.746 1.00 0.00 C ATOM 1252 CE2 TYR A 66 1.751 6.671 2.034 1.00 0.00 C ATOM 1253 CZ TYR A 66 2.528 7.814 1.744 1.00 0.00 C ATOM 1254 OH TYR A 66 1.917 9.000 1.480 1.00 0.00 O ATOM 0 H TYR A 66 5.298 1.835 3.380 1.00 0.00 H new ATOM 0 HA TYR A 66 5.565 4.509 4.321 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.410 4.004 1.975 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.856 3.221 2.188 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.637 6.429 2.028 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.784 4.566 2.526 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.534 8.602 1.535 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.673 6.741 2.046 1.00 0.00 H new ATOM 0 HH TYR A 66 0.945 8.883 1.518 1.00 0.00 H new ATOM 1264 N ILE A 67 2.716 3.038 5.035 1.00 0.00 N ATOM 1265 CA ILE A 67 1.560 3.058 5.941 1.00 0.00 C ATOM 1266 C ILE A 67 2.001 3.101 7.414 1.00 0.00 C ATOM 1267 O ILE A 67 1.412 3.849 8.199 1.00 0.00 O ATOM 1268 CB ILE A 67 0.633 1.856 5.641 1.00 0.00 C ATOM 1269 CG1 ILE A 67 0.033 1.959 4.219 1.00 0.00 C ATOM 1270 CG2 ILE A 67 -0.504 1.767 6.675 1.00 0.00 C ATOM 1271 CD1 ILE A 67 -0.426 0.612 3.644 1.00 0.00 C ATOM 0 H ILE A 67 2.748 2.208 4.444 1.00 0.00 H new ATOM 0 HA ILE A 67 0.992 3.971 5.765 1.00 0.00 H new ATOM 0 HB ILE A 67 1.240 0.952 5.703 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.816 2.643 4.241 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.776 2.395 3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.142 0.914 6.442 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.081 1.642 7.672 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.096 2.682 6.644 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.835 0.763 2.645 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.424 -0.069 3.589 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.193 0.183 4.289 1.00 0.00 H new ATOM 1283 N MET A 68 3.069 2.379 7.778 1.00 0.00 N ATOM 1284 CA MET A 68 3.696 2.451 9.104 1.00 0.00 C ATOM 1285 C MET A 68 4.296 3.824 9.425 1.00 0.00 C ATOM 1286 O MET A 68 3.912 4.435 10.420 1.00 0.00 O ATOM 1287 CB MET A 68 4.758 1.359 9.288 1.00 0.00 C ATOM 1288 CG MET A 68 4.116 -0.003 9.558 1.00 0.00 C ATOM 1289 SD MET A 68 5.265 -1.293 10.112 1.00 0.00 S ATOM 1290 CE MET A 68 6.262 -1.501 8.617 1.00 0.00 C ATOM 0 H MET A 68 3.528 1.719 7.150 1.00 0.00 H new ATOM 0 HA MET A 68 2.885 2.284 9.813 1.00 0.00 H new ATOM 0 HB2 MET A 68 5.380 1.299 8.395 1.00 0.00 H new ATOM 0 HB3 MET A 68 5.415 1.624 10.116 1.00 0.00 H new ATOM 0 HG2 MET A 68 3.340 0.121 10.313 1.00 0.00 H new ATOM 0 HG3 MET A 68 3.623 -0.343 8.647 1.00 0.00 H new ATOM 0 HE1 MET A 68 6.807 -2.444 8.671 1.00 0.00 H new ATOM 0 HE2 MET A 68 5.610 -1.508 7.743 1.00 0.00 H new ATOM 0 HE3 MET A 68 6.971 -0.677 8.535 1.00 0.00 H new ATOM 1300 N THR A 69 5.209 4.339 8.595 1.00 0.00 N ATOM 1301 CA THR A 69 5.861 5.638 8.849 1.00 0.00 C ATOM 1302 C THR A 69 4.917 6.846 8.858 1.00 0.00 C ATOM 1303 O THR A 69 5.083 7.775 9.652 1.00 0.00 O ATOM 1304 CB THR A 69 7.114 5.828 7.977 1.00 0.00 C ATOM 1305 OG1 THR A 69 7.992 6.743 8.597 1.00 0.00 O ATOM 1306 CG2 THR A 69 6.812 6.360 6.577 1.00 0.00 C ATOM 0 H THR A 69 5.517 3.879 7.738 1.00 0.00 H new ATOM 0 HA THR A 69 6.204 5.594 9.883 1.00 0.00 H new ATOM 0 HB THR A 69 7.557 4.837 7.875 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.789 6.860 8.040 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.743 6.468 6.020 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.157 5.662 6.056 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.321 7.330 6.654 1.00 0.00 H new ATOM 1314 N LYS A 70 3.856 6.794 8.043 1.00 0.00 N ATOM 1315 CA LYS A 70 2.755 7.774 7.997 1.00 0.00 C ATOM 1316 C LYS A 70 1.686 7.584 9.089 1.00 0.00 C ATOM 1317 O LYS A 70 0.910 8.508 9.338 1.00 0.00 O ATOM 1318 CB LYS A 70 2.101 7.679 6.609 1.00 0.00 C ATOM 1319 CG LYS A 70 3.004 8.128 5.442 1.00 0.00 C ATOM 1320 CD LYS A 70 2.928 9.625 5.115 1.00 0.00 C ATOM 1321 CE LYS A 70 1.528 9.980 4.598 1.00 0.00 C ATOM 1322 NZ LYS A 70 1.443 11.358 4.062 1.00 0.00 N ATOM 0 H LYS A 70 3.733 6.039 7.369 1.00 0.00 H new ATOM 0 HA LYS A 70 3.187 8.757 8.185 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.793 6.648 6.437 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.196 8.287 6.606 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.037 7.874 5.680 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.733 7.561 4.551 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.155 10.212 6.005 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.677 9.880 4.365 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.245 9.274 3.817 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.807 9.866 5.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.447 11.601 3.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.845 12.024 4.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.977 11.418 3.172 1.00 0.00 H new ATOM 1336 N ARG A 71 1.627 6.401 9.718 1.00 0.00 N ATOM 1337 CA ARG A 71 0.592 5.952 10.677 1.00 0.00 C ATOM 1338 C ARG A 71 -0.845 6.136 10.153 1.00 0.00 C ATOM 1339 O ARG A 71 -1.698 6.711 10.832 1.00 0.00 O ATOM 1340 CB ARG A 71 0.807 6.537 12.093 1.00 0.00 C ATOM 1341 CG ARG A 71 2.125 6.125 12.778 1.00 0.00 C ATOM 1342 CD ARG A 71 3.310 7.057 12.486 1.00 0.00 C ATOM 1343 NE ARG A 71 3.114 8.390 13.090 1.00 0.00 N ATOM 1344 CZ ARG A 71 3.491 9.563 12.611 1.00 0.00 C ATOM 1345 NH1 ARG A 71 4.164 9.697 11.503 1.00 0.00 N ATOM 1346 NH2 ARG A 71 3.196 10.656 13.257 1.00 0.00 N ATOM 0 H ARG A 71 2.339 5.687 9.566 1.00 0.00 H new ATOM 0 HA ARG A 71 0.720 4.874 10.775 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.774 7.625 12.029 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.025 6.229 12.726 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.964 6.088 13.855 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.385 5.115 12.460 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.227 6.613 12.873 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.436 7.160 11.408 1.00 0.00 H new ATOM 0 HE ARG A 71 2.628 8.408 13.987 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.424 8.873 10.961 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.430 10.626 11.177 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.674 10.606 14.132 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.487 11.561 12.887 1.00 0.00 H new ATOM 1360 N LEU A 72 -1.115 5.668 8.927 1.00 0.00 N ATOM 1361 CA LEU A 72 -2.446 5.781 8.293 1.00 0.00 C ATOM 1362 C LEU A 72 -3.500 4.821 8.878 1.00 0.00 C ATOM 1363 O LEU A 72 -4.685 4.945 8.565 1.00 0.00 O ATOM 1364 CB LEU A 72 -2.352 5.608 6.762 1.00 0.00 C ATOM 1365 CG LEU A 72 -1.386 6.565 6.051 1.00 0.00 C ATOM 1366 CD1 LEU A 72 -1.349 6.266 4.553 1.00 0.00 C ATOM 1367 CD2 LEU A 72 -1.789 8.025 6.242 1.00 0.00 C ATOM 0 H LEU A 72 -0.422 5.200 8.343 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.790 6.790 8.521 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.047 4.584 6.547 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.347 5.740 6.336 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.402 6.410 6.494 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.660 6.953 4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.014 5.241 4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.347 6.391 4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.079 8.669 5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.788 8.183 5.835 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.788 8.267 7.305 1.00 0.00 H new ATOM 1379 N TYR A 73 -3.094 3.863 9.713 1.00 0.00 N ATOM 1380 CA TYR A 73 -4.011 2.985 10.444 1.00 0.00 C ATOM 1381 C TYR A 73 -4.894 3.648 11.518 1.00 0.00 C ATOM 1382 O TYR A 73 -4.498 4.640 12.134 1.00 0.00 O ATOM 1383 CB TYR A 73 -3.308 1.720 10.948 1.00 0.00 C ATOM 1384 CG TYR A 73 -1.982 1.959 11.647 1.00 0.00 C ATOM 1385 CD1 TYR A 73 -1.971 2.470 12.960 1.00 0.00 C ATOM 1386 CD2 TYR A 73 -0.766 1.663 11.000 1.00 0.00 C ATOM 1387 CE1 TYR A 73 -0.750 2.678 13.629 1.00 0.00 C ATOM 1388 CE2 TYR A 73 0.456 1.852 11.673 1.00 0.00 C ATOM 1389 CZ TYR A 73 0.468 2.362 12.990 1.00 0.00 C ATOM 1390 OH TYR A 73 1.644 2.547 13.652 1.00 0.00 O ATOM 0 H TYR A 73 -2.110 3.673 9.903 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.742 2.693 9.690 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.976 1.201 11.635 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.141 1.054 10.102 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.902 2.703 13.455 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.771 1.291 9.986 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.745 3.080 14.632 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.386 1.607 11.181 1.00 0.00 H new ATOM 0 HH TYR A 73 2.390 2.281 13.075 1.00 0.00 H new ATOM 1400 N ASP A 74 -6.077 3.090 11.781 1.00 0.00 N ATOM 1401 CA ASP A 74 -6.928 3.480 12.911 1.00 0.00 C ATOM 1402 C ASP A 74 -6.314 3.188 14.297 1.00 0.00 C ATOM 1403 O ASP A 74 -5.794 2.097 14.535 1.00 0.00 O ATOM 1404 CB ASP A 74 -8.355 2.943 12.721 1.00 0.00 C ATOM 1405 CG ASP A 74 -9.260 2.990 13.956 1.00 0.00 C ATOM 1406 OD1 ASP A 74 -9.191 3.963 14.739 1.00 0.00 O ATOM 1407 OD2 ASP A 74 -10.061 2.049 14.131 1.00 0.00 O ATOM 0 H ASP A 74 -6.477 2.346 11.210 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.994 4.568 12.906 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.833 3.512 11.923 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.291 1.909 12.381 1.00 0.00 H new ATOM 1412 N GLU A 75 -6.377 4.144 15.228 1.00 0.00 N ATOM 1413 CA GLU A 75 -5.897 3.974 16.608 1.00 0.00 C ATOM 1414 C GLU A 75 -6.697 2.931 17.416 1.00 0.00 C ATOM 1415 O GLU A 75 -6.139 2.304 18.322 1.00 0.00 O ATOM 1416 CB GLU A 75 -5.879 5.336 17.328 1.00 0.00 C ATOM 1417 CG GLU A 75 -7.259 6.001 17.495 1.00 0.00 C ATOM 1418 CD GLU A 75 -7.203 7.390 18.168 1.00 0.00 C ATOM 1419 OE1 GLU A 75 -6.126 7.829 18.646 1.00 0.00 O ATOM 1420 OE2 GLU A 75 -8.261 8.064 18.235 1.00 0.00 O ATOM 0 H GLU A 75 -6.766 5.069 15.046 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.883 3.580 16.544 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.434 5.203 18.314 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.230 6.014 16.774 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.725 6.101 16.515 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.899 5.346 18.087 1.00 0.00 H new ATOM 1427 N LYS A 76 -7.982 2.716 17.092 1.00 0.00 N ATOM 1428 CA LYS A 76 -8.838 1.693 17.727 1.00 0.00 C ATOM 1429 C LYS A 76 -8.601 0.308 17.124 1.00 0.00 C ATOM 1430 O LYS A 76 -8.456 -0.669 17.860 1.00 0.00 O ATOM 1431 CB LYS A 76 -10.329 2.071 17.628 1.00 0.00 C ATOM 1432 CG LYS A 76 -10.596 3.507 18.101 1.00 0.00 C ATOM 1433 CD LYS A 76 -12.090 3.837 18.259 1.00 0.00 C ATOM 1434 CE LYS A 76 -12.829 3.034 19.343 1.00 0.00 C ATOM 1435 NZ LYS A 76 -12.318 3.319 20.711 1.00 0.00 N ATOM 0 H LYS A 76 -8.465 3.254 16.372 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.562 1.655 18.781 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.662 1.963 16.596 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.919 1.377 18.227 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.095 3.665 19.056 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.152 4.203 17.389 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.189 4.899 18.486 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.586 3.668 17.303 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.893 3.266 19.300 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.727 1.969 19.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.848 2.754 21.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.309 3.073 20.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.439 4.330 20.923 1.00 0.00 H new ATOM 1449 N GLN A 77 -8.535 0.233 15.794 1.00 0.00 N ATOM 1450 CA GLN A 77 -8.273 -0.994 15.028 1.00 0.00 C ATOM 1451 C GLN A 77 -7.157 -0.818 13.991 1.00 0.00 C ATOM 1452 O GLN A 77 -7.397 -0.348 12.879 1.00 0.00 O ATOM 1453 CB GLN A 77 -9.571 -1.487 14.359 1.00 0.00 C ATOM 1454 CG GLN A 77 -10.574 -2.129 15.330 1.00 0.00 C ATOM 1455 CD GLN A 77 -10.073 -3.423 15.978 1.00 0.00 C ATOM 1456 OE1 GLN A 77 -9.089 -4.034 15.572 1.00 0.00 O ATOM 1457 NE2 GLN A 77 -10.742 -3.911 17.000 1.00 0.00 N ATOM 0 H GLN A 77 -8.666 1.050 15.197 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.923 -1.748 15.733 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.052 -0.645 13.861 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -9.316 -2.212 13.586 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.815 -1.412 16.114 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.500 -2.338 14.794 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.563 -3.420 17.354 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.440 -4.781 17.439 1.00 0.00 H new ATOM 1466 N GLN A 78 -5.940 -1.276 14.307 1.00 0.00 N ATOM 1467 CA GLN A 78 -4.798 -1.153 13.390 1.00 0.00 C ATOM 1468 C GLN A 78 -4.941 -1.982 12.098 1.00 0.00 C ATOM 1469 O GLN A 78 -4.239 -1.727 11.120 1.00 0.00 O ATOM 1470 CB GLN A 78 -3.475 -1.477 14.101 1.00 0.00 C ATOM 1471 CG GLN A 78 -3.090 -0.430 15.162 1.00 0.00 C ATOM 1472 CD GLN A 78 -1.587 -0.368 15.453 1.00 0.00 C ATOM 1473 OE1 GLN A 78 -0.757 -1.033 14.845 1.00 0.00 O ATOM 1474 NE2 GLN A 78 -1.174 0.434 16.411 1.00 0.00 N ATOM 0 H GLN A 78 -5.719 -1.735 15.191 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.787 -0.109 13.078 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.554 -2.455 14.576 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.678 -1.546 13.360 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.427 0.552 14.829 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.621 -0.652 16.088 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.847 0.997 16.930 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.180 0.493 16.634 1.00 0.00 H new ATOM 1483 N HIS A 79 -5.869 -2.944 12.063 1.00 0.00 N ATOM 1484 CA HIS A 79 -6.211 -3.695 10.852 1.00 0.00 C ATOM 1485 C HIS A 79 -7.039 -2.885 9.828 1.00 0.00 C ATOM 1486 O HIS A 79 -7.334 -3.399 8.750 1.00 0.00 O ATOM 1487 CB HIS A 79 -6.889 -5.019 11.240 1.00 0.00 C ATOM 1488 CG HIS A 79 -8.372 -4.956 11.527 1.00 0.00 C ATOM 1489 ND1 HIS A 79 -8.985 -4.797 12.751 1.00 0.00 N ATOM 1490 CD2 HIS A 79 -9.368 -5.151 10.607 1.00 0.00 C ATOM 1491 CE1 HIS A 79 -10.313 -4.885 12.569 1.00 0.00 C ATOM 1492 NE2 HIS A 79 -10.599 -5.098 11.273 1.00 0.00 N ATOM 0 H HIS A 79 -6.408 -3.225 12.882 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.280 -3.914 10.330 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.727 -5.735 10.434 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.387 -5.414 12.123 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -8.512 -4.640 13.641 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -9.228 -5.317 9.549 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -11.049 -4.797 13.355 1.00 0.00 H new ATOM 1500 N ILE A 80 -7.413 -1.635 10.131 1.00 0.00 N ATOM 1501 CA ILE A 80 -8.152 -0.721 9.243 1.00 0.00 C ATOM 1502 C ILE A 80 -7.283 0.507 8.927 1.00 0.00 C ATOM 1503 O ILE A 80 -6.666 1.080 9.826 1.00 0.00 O ATOM 1504 CB ILE A 80 -9.519 -0.329 9.861 1.00 0.00 C ATOM 1505 CG1 ILE A 80 -10.309 -1.574 10.339 1.00 0.00 C ATOM 1506 CG2 ILE A 80 -10.346 0.490 8.851 1.00 0.00 C ATOM 1507 CD1 ILE A 80 -11.667 -1.268 10.985 1.00 0.00 C ATOM 0 H ILE A 80 -7.202 -1.214 11.036 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.371 -1.230 8.304 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.325 0.288 10.738 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.469 -2.234 9.487 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.697 -2.122 11.056 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.303 0.759 9.298 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.802 1.397 8.586 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.518 -0.105 7.954 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.145 -2.200 11.287 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.519 -0.636 11.861 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.303 -0.750 10.267 1.00 0.00 H new ATOM 1519 N VAL A 81 -7.237 0.920 7.658 1.00 0.00 N ATOM 1520 CA VAL A 81 -6.440 2.053 7.149 1.00 0.00 C ATOM 1521 C VAL A 81 -7.356 3.176 6.658 1.00 0.00 C ATOM 1522 O VAL A 81 -8.315 2.925 5.930 1.00 0.00 O ATOM 1523 CB VAL A 81 -5.474 1.589 6.037 1.00 0.00 C ATOM 1524 CG1 VAL A 81 -4.643 2.740 5.453 1.00 0.00 C ATOM 1525 CG2 VAL A 81 -4.489 0.535 6.563 1.00 0.00 C ATOM 0 H VAL A 81 -7.773 0.460 6.923 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.837 2.446 7.967 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.111 1.173 5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.983 2.354 4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.309 3.489 5.024 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.046 3.195 6.243 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.821 0.227 5.758 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.903 0.959 7.378 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.042 -0.331 6.927 1.00 0.00 H new ATOM 1535 N TYR A 82 -7.035 4.416 7.035 1.00 0.00 N ATOM 1536 CA TYR A 82 -7.734 5.660 6.687 1.00 0.00 C ATOM 1537 C TYR A 82 -6.983 6.589 5.722 1.00 0.00 C ATOM 1538 O TYR A 82 -6.530 7.677 6.082 1.00 0.00 O ATOM 1539 CB TYR A 82 -8.321 6.340 7.933 1.00 0.00 C ATOM 1540 CG TYR A 82 -9.565 5.658 8.471 1.00 0.00 C ATOM 1541 CD1 TYR A 82 -9.441 4.574 9.359 1.00 0.00 C ATOM 1542 CD2 TYR A 82 -10.843 6.102 8.076 1.00 0.00 C ATOM 1543 CE1 TYR A 82 -10.591 3.938 9.863 1.00 0.00 C ATOM 1544 CE2 TYR A 82 -11.995 5.462 8.571 1.00 0.00 C ATOM 1545 CZ TYR A 82 -11.874 4.378 9.468 1.00 0.00 C ATOM 1546 OH TYR A 82 -12.994 3.771 9.948 1.00 0.00 O ATOM 0 H TYR A 82 -6.226 4.592 7.631 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.586 5.367 6.074 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.562 6.362 8.715 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -8.561 7.376 7.692 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.461 4.229 9.655 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.939 6.933 7.393 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.492 3.113 10.553 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.973 5.801 8.264 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.788 4.204 9.571 1.00 0.00 H new ATOM 1556 N CYS A 83 -6.785 6.110 4.493 1.00 0.00 N ATOM 1557 CA CYS A 83 -5.963 6.729 3.449 1.00 0.00 C ATOM 1558 C CYS A 83 -6.508 8.028 2.804 1.00 0.00 C ATOM 1559 O CYS A 83 -5.849 8.600 1.933 1.00 0.00 O ATOM 1560 CB CYS A 83 -5.629 5.639 2.417 1.00 0.00 C ATOM 1561 SG CYS A 83 -7.108 4.724 1.870 1.00 0.00 S ATOM 0 H CYS A 83 -7.214 5.238 4.182 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.063 7.108 3.934 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -5.147 6.096 1.553 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.912 4.941 2.849 1.00 0.00 H new ATOM 0 HG CYS A 83 -7.832 5.487 1.106 1.00 0.00 H new ATOM 1567 N SER A 84 -7.691 8.500 3.215 1.00 0.00 N ATOM 1568 CA SER A 84 -8.412 9.657 2.654 1.00 0.00 C ATOM 1569 C SER A 84 -7.580 10.947 2.548 1.00 0.00 C ATOM 1570 O SER A 84 -6.781 11.267 3.433 1.00 0.00 O ATOM 1571 CB SER A 84 -9.652 9.949 3.510 1.00 0.00 C ATOM 1572 OG SER A 84 -10.474 10.914 2.874 1.00 0.00 O ATOM 0 H SER A 84 -8.199 8.066 3.986 1.00 0.00 H new ATOM 0 HA SER A 84 -8.672 9.371 1.635 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.216 9.030 3.670 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.347 10.311 4.492 1.00 0.00 H new ATOM 0 HG SER A 84 -11.262 11.090 3.430 1.00 0.00 H new ATOM 1578 N ASN A 85 -7.821 11.714 1.475 1.00 0.00 N ATOM 1579 CA ASN A 85 -7.231 13.033 1.192 1.00 0.00 C ATOM 1580 C ASN A 85 -5.682 13.067 1.169 1.00 0.00 C ATOM 1581 O ASN A 85 -5.068 14.102 1.437 1.00 0.00 O ATOM 1582 CB ASN A 85 -7.879 14.105 2.098 1.00 0.00 C ATOM 1583 CG ASN A 85 -9.378 14.262 1.885 1.00 0.00 C ATOM 1584 OD1 ASN A 85 -9.902 14.148 0.785 1.00 0.00 O ATOM 1585 ND2 ASN A 85 -10.115 14.598 2.922 1.00 0.00 N ATOM 0 H ASN A 85 -8.466 11.417 0.743 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.474 13.277 0.158 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -7.694 13.846 3.141 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.393 15.064 1.916 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -11.115 14.761 2.805 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.686 14.695 3.842 1.00 0.00 H new ATOM 1592 N ASP A 86 -5.043 11.935 0.855 1.00 0.00 N ATOM 1593 CA ASP A 86 -3.583 11.774 0.822 1.00 0.00 C ATOM 1594 C ASP A 86 -3.216 10.830 -0.349 1.00 0.00 C ATOM 1595 O ASP A 86 -4.082 10.243 -1.009 1.00 0.00 O ATOM 1596 CB ASP A 86 -3.149 11.199 2.186 1.00 0.00 C ATOM 1597 CG ASP A 86 -1.683 11.479 2.550 1.00 0.00 C ATOM 1598 OD1 ASP A 86 -0.886 11.933 1.695 1.00 0.00 O ATOM 1599 OD2 ASP A 86 -1.309 11.254 3.722 1.00 0.00 O ATOM 0 H ASP A 86 -5.541 11.079 0.609 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.068 12.721 0.659 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.790 11.614 2.963 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.311 10.121 2.181 1.00 0.00 H new ATOM 1604 N LEU A 87 -1.914 10.678 -0.612 1.00 0.00 N ATOM 1605 CA LEU A 87 -1.353 9.956 -1.762 1.00 0.00 C ATOM 1606 C LEU A 87 -1.861 8.509 -1.884 1.00 0.00 C ATOM 1607 O LEU A 87 -2.179 8.056 -2.984 1.00 0.00 O ATOM 1608 CB LEU A 87 0.182 10.027 -1.643 1.00 0.00 C ATOM 1609 CG LEU A 87 0.974 9.267 -2.723 1.00 0.00 C ATOM 1610 CD1 LEU A 87 0.663 9.763 -4.131 1.00 0.00 C ATOM 1611 CD2 LEU A 87 2.470 9.465 -2.479 1.00 0.00 C ATOM 0 H LEU A 87 -1.192 11.069 -0.007 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.688 10.432 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.481 11.075 -1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.470 9.638 -0.667 1.00 0.00 H new ATOM 0 HG LEU A 87 0.686 8.218 -2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.247 9.194 -4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.399 9.630 -4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.918 10.820 -4.209 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.037 8.929 -3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.709 10.527 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.732 9.080 -1.494 1.00 0.00 H new ATOM 1623 N LEU A 88 -1.989 7.788 -0.766 1.00 0.00 N ATOM 1624 CA LEU A 88 -2.501 6.415 -0.771 1.00 0.00 C ATOM 1625 C LEU A 88 -3.998 6.328 -1.114 1.00 0.00 C ATOM 1626 O LEU A 88 -4.416 5.410 -1.818 1.00 0.00 O ATOM 1627 CB LEU A 88 -2.174 5.749 0.572 1.00 0.00 C ATOM 1628 CG LEU A 88 -2.608 4.273 0.633 1.00 0.00 C ATOM 1629 CD1 LEU A 88 -1.934 3.443 -0.462 1.00 0.00 C ATOM 1630 CD2 LEU A 88 -2.223 3.700 1.990 1.00 0.00 C ATOM 0 H LEU A 88 -1.743 8.136 0.161 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.000 5.870 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.101 5.814 0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.666 6.300 1.374 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.687 4.229 0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.264 2.407 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.205 3.841 -1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.852 3.489 -0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.526 2.654 2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.143 3.772 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.723 4.263 2.778 1.00 0.00 H new ATOM 1642 N GLY A 89 -4.805 7.295 -0.672 1.00 0.00 N ATOM 1643 CA GLY A 89 -6.217 7.406 -1.053 1.00 0.00 C ATOM 1644 C GLY A 89 -6.396 7.703 -2.545 1.00 0.00 C ATOM 1645 O GLY A 89 -7.286 7.143 -3.185 1.00 0.00 O ATOM 0 H GLY A 89 -4.496 8.029 -0.035 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.732 6.478 -0.806 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.687 8.197 -0.469 1.00 0.00 H new ATOM 1649 N ASP A 90 -5.498 8.505 -3.127 1.00 0.00 N ATOM 1650 CA ASP A 90 -5.416 8.713 -4.579 1.00 0.00 C ATOM 1651 C ASP A 90 -4.986 7.480 -5.395 1.00 0.00 C ATOM 1652 O ASP A 90 -5.430 7.295 -6.530 1.00 0.00 O ATOM 1653 CB ASP A 90 -4.556 9.948 -4.909 1.00 0.00 C ATOM 1654 CG ASP A 90 -5.225 11.309 -4.626 1.00 0.00 C ATOM 1655 OD1 ASP A 90 -6.453 11.380 -4.377 1.00 0.00 O ATOM 1656 OD2 ASP A 90 -4.510 12.337 -4.695 1.00 0.00 O ATOM 0 H ASP A 90 -4.802 9.033 -2.601 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.441 8.898 -4.899 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.631 9.890 -4.336 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.281 9.908 -5.963 1.00 0.00 H new ATOM 1661 N LEU A 91 -4.157 6.613 -4.802 1.00 0.00 N ATOM 1662 CA LEU A 91 -3.731 5.333 -5.374 1.00 0.00 C ATOM 1663 C LEU A 91 -4.828 4.255 -5.297 1.00 0.00 C ATOM 1664 O LEU A 91 -5.227 3.720 -6.332 1.00 0.00 O ATOM 1665 CB LEU A 91 -2.451 4.865 -4.657 1.00 0.00 C ATOM 1666 CG LEU A 91 -1.167 5.562 -5.133 1.00 0.00 C ATOM 1667 CD1 LEU A 91 -0.047 5.268 -4.160 1.00 0.00 C ATOM 1668 CD2 LEU A 91 -0.757 5.080 -6.525 1.00 0.00 C ATOM 0 H LEU A 91 -3.752 6.790 -3.882 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.530 5.486 -6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.566 5.034 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.341 3.790 -4.800 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.360 6.634 -5.181 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.865 5.761 -4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.317 5.639 -3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.119 4.192 -4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.155 5.592 -6.833 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.579 4.005 -6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.554 5.299 -7.235 1.00 0.00 H new ATOM 1680 N PHE A 92 -5.324 3.929 -4.096 1.00 0.00 N ATOM 1681 CA PHE A 92 -6.403 2.948 -3.905 1.00 0.00 C ATOM 1682 C PHE A 92 -7.812 3.352 -4.378 1.00 0.00 C ATOM 1683 O PHE A 92 -8.657 2.490 -4.629 1.00 0.00 O ATOM 1684 CB PHE A 92 -6.408 2.346 -2.484 1.00 0.00 C ATOM 1685 CG PHE A 92 -5.364 1.286 -2.148 1.00 0.00 C ATOM 1686 CD1 PHE A 92 -5.143 0.186 -3.000 1.00 0.00 C ATOM 1687 CD2 PHE A 92 -4.687 1.338 -0.915 1.00 0.00 C ATOM 1688 CE1 PHE A 92 -4.248 -0.839 -2.637 1.00 0.00 C ATOM 1689 CE2 PHE A 92 -3.803 0.308 -0.542 1.00 0.00 C ATOM 1690 CZ PHE A 92 -3.580 -0.779 -1.403 1.00 0.00 C ATOM 0 H PHE A 92 -4.987 4.340 -3.225 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.134 2.162 -4.610 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.291 3.165 -1.775 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.392 1.911 -2.310 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.666 0.128 -3.943 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.847 2.174 -0.250 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.076 -1.669 -3.306 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.294 0.354 0.410 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.897 -1.566 -1.117 1.00 0.00 H new ATOM 1700 N GLY A 93 -8.069 4.656 -4.520 1.00 0.00 N ATOM 1701 CA GLY A 93 -9.354 5.206 -4.971 1.00 0.00 C ATOM 1702 C GLY A 93 -10.465 5.201 -3.909 1.00 0.00 C ATOM 1703 O GLY A 93 -11.644 5.247 -4.266 1.00 0.00 O ATOM 0 H GLY A 93 -7.375 5.376 -4.320 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.197 6.231 -5.307 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.694 4.636 -5.835 1.00 0.00 H new ATOM 1707 N VAL A 94 -10.111 5.126 -2.618 1.00 0.00 N ATOM 1708 CA VAL A 94 -11.049 5.032 -1.478 1.00 0.00 C ATOM 1709 C VAL A 94 -10.545 5.868 -0.287 1.00 0.00 C ATOM 1710 O VAL A 94 -9.335 6.060 -0.132 1.00 0.00 O ATOM 1711 CB VAL A 94 -11.241 3.570 -1.005 1.00 0.00 C ATOM 1712 CG1 VAL A 94 -12.122 2.785 -1.978 1.00 0.00 C ATOM 1713 CG2 VAL A 94 -9.934 2.800 -0.779 1.00 0.00 C ATOM 0 H VAL A 94 -9.134 5.129 -2.324 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.006 5.418 -1.830 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.730 3.657 -0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.239 1.762 -1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.101 3.259 -2.046 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.655 2.773 -2.963 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.161 1.786 -0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.369 2.761 -1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.341 3.305 -0.016 1.00 0.00 H new ATOM 1723 N PRO A 95 -11.454 6.347 0.588 1.00 0.00 N ATOM 1724 CA PRO A 95 -11.096 7.046 1.825 1.00 0.00 C ATOM 1725 C PRO A 95 -10.538 6.114 2.916 1.00 0.00 C ATOM 1726 O PRO A 95 -9.781 6.555 3.783 1.00 0.00 O ATOM 1727 CB PRO A 95 -12.399 7.710 2.286 1.00 0.00 C ATOM 1728 CG PRO A 95 -13.482 6.763 1.770 1.00 0.00 C ATOM 1729 CD PRO A 95 -12.905 6.292 0.440 1.00 0.00 C ATOM 0 HA PRO A 95 -10.292 7.759 1.644 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.437 7.810 3.371 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.509 8.711 1.869 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.654 5.932 2.454 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.437 7.272 1.640 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.235 5.279 0.208 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.238 6.931 -0.378 1.00 0.00 H new ATOM 1737 N SER A 96 -10.912 4.832 2.896 1.00 0.00 N ATOM 1738 CA SER A 96 -10.498 3.824 3.877 1.00 0.00 C ATOM 1739 C SER A 96 -10.716 2.395 3.366 1.00 0.00 C ATOM 1740 O SER A 96 -11.504 2.168 2.440 1.00 0.00 O ATOM 1741 CB SER A 96 -11.256 4.023 5.200 1.00 0.00 C ATOM 1742 OG SER A 96 -12.659 3.880 5.027 1.00 0.00 O ATOM 0 H SER A 96 -11.529 4.455 2.176 1.00 0.00 H new ATOM 0 HA SER A 96 -9.429 3.958 4.042 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.904 3.298 5.934 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.037 5.013 5.600 1.00 0.00 H new ATOM 0 HG SER A 96 -13.110 4.011 5.887 1.00 0.00 H new ATOM 1748 N PHE A 97 -10.026 1.423 3.971 1.00 0.00 N ATOM 1749 CA PHE A 97 -10.200 -0.010 3.695 1.00 0.00 C ATOM 1750 C PHE A 97 -9.712 -0.841 4.902 1.00 0.00 C ATOM 1751 O PHE A 97 -8.891 -0.388 5.702 1.00 0.00 O ATOM 1752 CB PHE A 97 -9.414 -0.391 2.425 1.00 0.00 C ATOM 1753 CG PHE A 97 -7.901 -0.326 2.549 1.00 0.00 C ATOM 1754 CD1 PHE A 97 -7.196 0.860 2.266 1.00 0.00 C ATOM 1755 CD2 PHE A 97 -7.198 -1.471 2.960 1.00 0.00 C ATOM 1756 CE1 PHE A 97 -5.795 0.894 2.403 1.00 0.00 C ATOM 1757 CE2 PHE A 97 -5.803 -1.436 3.105 1.00 0.00 C ATOM 1758 CZ PHE A 97 -5.098 -0.256 2.819 1.00 0.00 C ATOM 0 H PHE A 97 -9.317 1.612 4.680 1.00 0.00 H new ATOM 0 HA PHE A 97 -11.257 -0.222 3.532 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -9.694 -1.404 2.135 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.724 0.270 1.615 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.729 1.742 1.944 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -7.736 -2.385 3.166 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.254 1.804 2.189 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.272 -2.316 3.436 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.023 -0.231 2.918 1.00 0.00 H new ATOM 1768 N SER A 98 -10.201 -2.079 5.022 1.00 0.00 N ATOM 1769 CA SER A 98 -9.690 -3.076 5.978 1.00 0.00 C ATOM 1770 C SER A 98 -8.595 -3.942 5.349 1.00 0.00 C ATOM 1771 O SER A 98 -8.789 -4.510 4.275 1.00 0.00 O ATOM 1772 CB SER A 98 -10.838 -3.941 6.503 1.00 0.00 C ATOM 1773 OG SER A 98 -10.336 -5.040 7.243 1.00 0.00 O ATOM 0 H SER A 98 -10.973 -2.425 4.452 1.00 0.00 H new ATOM 0 HA SER A 98 -9.242 -2.544 6.818 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.494 -3.341 7.133 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.440 -4.302 5.669 1.00 0.00 H new ATOM 0 HG SER A 98 -11.084 -5.581 7.572 1.00 0.00 H new ATOM 1779 N VAL A 99 -7.453 -4.096 6.027 1.00 0.00 N ATOM 1780 CA VAL A 99 -6.330 -4.947 5.592 1.00 0.00 C ATOM 1781 C VAL A 99 -6.717 -6.432 5.506 1.00 0.00 C ATOM 1782 O VAL A 99 -6.164 -7.165 4.687 1.00 0.00 O ATOM 1783 CB VAL A 99 -5.083 -4.731 6.468 1.00 0.00 C ATOM 1784 CG1 VAL A 99 -3.850 -5.476 5.943 1.00 0.00 C ATOM 1785 CG2 VAL A 99 -4.687 -3.251 6.573 1.00 0.00 C ATOM 0 H VAL A 99 -7.275 -3.624 6.914 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.075 -4.635 4.579 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.374 -5.121 7.443 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.002 -5.286 6.601 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.056 -6.546 5.916 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.614 -5.126 4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.802 -3.155 7.202 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.470 -2.861 5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.508 -2.685 7.013 1.00 0.00 H new ATOM 1795 N LYS A 100 -7.713 -6.871 6.293 1.00 0.00 N ATOM 1796 CA LYS A 100 -8.270 -8.236 6.252 1.00 0.00 C ATOM 1797 C LYS A 100 -9.085 -8.522 4.978 1.00 0.00 C ATOM 1798 O LYS A 100 -9.288 -9.683 4.625 1.00 0.00 O ATOM 1799 CB LYS A 100 -9.069 -8.471 7.552 1.00 0.00 C ATOM 1800 CG LYS A 100 -9.695 -9.869 7.734 1.00 0.00 C ATOM 1801 CD LYS A 100 -8.739 -11.063 7.556 1.00 0.00 C ATOM 1802 CE LYS A 100 -7.527 -11.013 8.493 1.00 0.00 C ATOM 1803 NZ LYS A 100 -6.534 -12.058 8.135 1.00 0.00 N ATOM 0 H LYS A 100 -8.163 -6.277 6.989 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.452 -8.954 6.201 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.408 -8.281 8.397 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.868 -7.731 7.600 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -10.131 -9.923 8.731 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -10.514 -9.975 7.022 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.288 -11.988 7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.391 -11.090 6.524 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.061 -10.029 8.438 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.853 -11.154 9.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.764 -12.059 8.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.997 -12.989 8.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.145 -11.858 7.192 1.00 0.00 H new ATOM 1817 N GLU A 101 -9.495 -7.500 4.223 1.00 0.00 N ATOM 1818 CA GLU A 101 -10.099 -7.642 2.884 1.00 0.00 C ATOM 1819 C GLU A 101 -9.032 -7.937 1.807 1.00 0.00 C ATOM 1820 O GLU A 101 -8.938 -7.255 0.782 1.00 0.00 O ATOM 1821 CB GLU A 101 -10.989 -6.429 2.548 1.00 0.00 C ATOM 1822 CG GLU A 101 -12.169 -6.297 3.528 1.00 0.00 C ATOM 1823 CD GLU A 101 -13.082 -5.085 3.251 1.00 0.00 C ATOM 1824 OE1 GLU A 101 -12.754 -4.216 2.409 1.00 0.00 O ATOM 1825 OE2 GLU A 101 -14.163 -4.999 3.881 1.00 0.00 O ATOM 0 H GLU A 101 -9.418 -6.529 4.526 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.756 -8.512 2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -10.389 -5.519 2.576 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.370 -6.528 1.532 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.767 -7.207 3.485 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.778 -6.220 4.543 1.00 0.00 H new ATOM 1832 N HIS A 102 -8.202 -8.959 2.045 1.00 0.00 N ATOM 1833 CA HIS A 102 -7.020 -9.295 1.245 1.00 0.00 C ATOM 1834 C HIS A 102 -7.341 -9.441 -0.255 1.00 0.00 C ATOM 1835 O HIS A 102 -6.663 -8.847 -1.093 1.00 0.00 O ATOM 1836 CB HIS A 102 -6.389 -10.589 1.793 1.00 0.00 C ATOM 1837 CG HIS A 102 -5.978 -10.558 3.250 1.00 0.00 C ATOM 1838 ND1 HIS A 102 -4.939 -9.836 3.790 1.00 0.00 N ATOM 1839 CD2 HIS A 102 -6.456 -11.364 4.251 1.00 0.00 C ATOM 1840 CE1 HIS A 102 -4.805 -10.175 5.080 1.00 0.00 C ATOM 1841 NE2 HIS A 102 -5.715 -11.108 5.416 1.00 0.00 N ATOM 0 H HIS A 102 -8.341 -9.597 2.828 1.00 0.00 H new ATOM 0 HA HIS A 102 -6.313 -8.470 1.329 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -7.099 -11.404 1.653 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -5.510 -10.825 1.192 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -4.366 -9.156 3.291 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -7.264 -12.074 4.159 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -4.071 -9.759 5.754 1.00 0.00 H new ATOM 1849 N ARG A 103 -8.426 -10.157 -0.590 1.00 0.00 N ATOM 1850 CA ARG A 103 -8.894 -10.397 -1.971 1.00 0.00 C ATOM 1851 C ARG A 103 -9.200 -9.100 -2.734 1.00 0.00 C ATOM 1852 O ARG A 103 -8.860 -8.988 -3.913 1.00 0.00 O ATOM 1853 CB ARG A 103 -10.097 -11.356 -1.919 1.00 0.00 C ATOM 1854 CG ARG A 103 -10.594 -11.796 -3.309 1.00 0.00 C ATOM 1855 CD ARG A 103 -11.759 -12.797 -3.239 1.00 0.00 C ATOM 1856 NE ARG A 103 -11.375 -14.079 -2.605 1.00 0.00 N ATOM 1857 CZ ARG A 103 -11.692 -14.505 -1.394 1.00 0.00 C ATOM 1858 NH1 ARG A 103 -12.348 -13.773 -0.539 1.00 0.00 N ATOM 1859 NH2 ARG A 103 -11.344 -15.698 -1.011 1.00 0.00 N ATOM 0 H ARG A 103 -9.021 -10.599 0.110 1.00 0.00 H new ATOM 0 HA ARG A 103 -8.090 -10.862 -2.542 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -9.822 -12.240 -1.344 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -10.915 -10.871 -1.386 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.910 -10.917 -3.871 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.768 -12.246 -3.859 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -12.582 -12.352 -2.679 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -12.127 -12.991 -4.247 1.00 0.00 H new ATOM 0 HE ARG A 103 -10.800 -14.706 -3.167 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -12.639 -12.829 -0.793 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -12.571 -14.144 0.385 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -10.826 -16.306 -1.645 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -11.589 -16.025 -0.077 1.00 0.00 H new ATOM 1873 N LYS A 104 -9.782 -8.102 -2.055 1.00 0.00 N ATOM 1874 CA LYS A 104 -10.007 -6.750 -2.599 1.00 0.00 C ATOM 1875 C LYS A 104 -8.682 -6.006 -2.778 1.00 0.00 C ATOM 1876 O LYS A 104 -8.426 -5.474 -3.857 1.00 0.00 O ATOM 1877 CB LYS A 104 -10.984 -5.984 -1.687 1.00 0.00 C ATOM 1878 CG LYS A 104 -11.356 -4.597 -2.243 1.00 0.00 C ATOM 1879 CD LYS A 104 -12.145 -3.751 -1.233 1.00 0.00 C ATOM 1880 CE LYS A 104 -13.540 -4.326 -0.948 1.00 0.00 C ATOM 1881 NZ LYS A 104 -14.212 -3.579 0.143 1.00 0.00 N ATOM 0 H LYS A 104 -10.116 -8.210 -1.097 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.458 -6.828 -3.588 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.891 -6.574 -1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.537 -5.867 -0.700 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.447 -4.066 -2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -11.948 -4.719 -3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.584 -3.687 -0.300 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.245 -2.735 -1.615 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -14.147 -4.280 -1.852 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -13.454 -5.378 -0.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -15.139 -4.009 0.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -13.625 -3.615 1.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -14.344 -2.588 -0.145 1.00 0.00 H new ATOM 1895 N ILE A 105 -7.815 -6.012 -1.763 1.00 0.00 N ATOM 1896 CA ILE A 105 -6.507 -5.335 -1.820 1.00 0.00 C ATOM 1897 C ILE A 105 -5.674 -5.836 -3.002 1.00 0.00 C ATOM 1898 O ILE A 105 -5.173 -5.013 -3.761 1.00 0.00 O ATOM 1899 CB ILE A 105 -5.749 -5.439 -0.476 1.00 0.00 C ATOM 1900 CG1 ILE A 105 -6.498 -4.602 0.582 1.00 0.00 C ATOM 1901 CG2 ILE A 105 -4.292 -4.946 -0.602 1.00 0.00 C ATOM 1902 CD1 ILE A 105 -5.960 -4.765 2.004 1.00 0.00 C ATOM 0 H ILE A 105 -7.995 -6.484 -0.877 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.690 -4.274 -1.988 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.714 -6.487 -0.177 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.443 -3.550 0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.552 -4.880 0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.793 -5.035 0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.766 -5.551 -1.340 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.287 -3.903 -0.918 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.541 -4.144 2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.041 -5.809 2.306 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.915 -4.458 2.035 1.00 0.00 H new ATOM 1914 N TYR A 106 -5.586 -7.149 -3.232 1.00 0.00 N ATOM 1915 CA TYR A 106 -4.806 -7.701 -4.347 1.00 0.00 C ATOM 1916 C TYR A 106 -5.236 -7.173 -5.727 1.00 0.00 C ATOM 1917 O TYR A 106 -4.380 -6.861 -6.555 1.00 0.00 O ATOM 1918 CB TYR A 106 -4.907 -9.236 -4.353 1.00 0.00 C ATOM 1919 CG TYR A 106 -4.401 -9.980 -3.128 1.00 0.00 C ATOM 1920 CD1 TYR A 106 -3.179 -9.645 -2.509 1.00 0.00 C ATOM 1921 CD2 TYR A 106 -5.166 -11.049 -2.624 1.00 0.00 C ATOM 1922 CE1 TYR A 106 -2.746 -10.360 -1.374 1.00 0.00 C ATOM 1923 CE2 TYR A 106 -4.744 -11.758 -1.487 1.00 0.00 C ATOM 1924 CZ TYR A 106 -3.532 -11.413 -0.857 1.00 0.00 C ATOM 1925 OH TYR A 106 -3.133 -12.103 0.243 1.00 0.00 O ATOM 0 H TYR A 106 -6.048 -7.854 -2.658 1.00 0.00 H new ATOM 0 HA TYR A 106 -3.779 -7.374 -4.181 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -5.954 -9.503 -4.500 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.359 -9.605 -5.220 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -2.575 -8.841 -2.904 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -6.086 -11.327 -3.116 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.811 -10.102 -0.899 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -5.347 -12.565 -1.097 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.156 -12.077 0.309 1.00 0.00 H new ATOM 1935 N THR A 107 -6.544 -7.033 -5.981 1.00 0.00 N ATOM 1936 CA THR A 107 -7.052 -6.447 -7.235 1.00 0.00 C ATOM 1937 C THR A 107 -6.896 -4.928 -7.359 1.00 0.00 C ATOM 1938 O THR A 107 -6.489 -4.424 -8.410 1.00 0.00 O ATOM 1939 CB THR A 107 -8.440 -6.987 -7.623 1.00 0.00 C ATOM 1940 OG1 THR A 107 -8.583 -6.948 -9.027 1.00 0.00 O ATOM 1941 CG2 THR A 107 -9.619 -6.213 -7.034 1.00 0.00 C ATOM 0 H THR A 107 -7.276 -7.319 -5.331 1.00 0.00 H new ATOM 0 HA THR A 107 -6.373 -6.810 -8.007 1.00 0.00 H new ATOM 0 HB THR A 107 -8.473 -7.997 -7.215 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.466 -7.293 -9.276 1.00 0.00 H new ATOM 0 HG21 THR A 107 -10.553 -6.668 -7.363 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.565 -6.241 -5.946 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.580 -5.178 -7.373 1.00 0.00 H new ATOM 1949 N MET A 108 -7.105 -4.184 -6.264 1.00 0.00 N ATOM 1950 CA MET A 108 -6.835 -2.738 -6.227 1.00 0.00 C ATOM 1951 C MET A 108 -5.338 -2.422 -6.402 1.00 0.00 C ATOM 1952 O MET A 108 -4.985 -1.446 -7.062 1.00 0.00 O ATOM 1953 CB MET A 108 -7.332 -2.110 -4.915 1.00 0.00 C ATOM 1954 CG MET A 108 -8.840 -2.212 -4.670 1.00 0.00 C ATOM 1955 SD MET A 108 -9.456 -1.185 -3.297 1.00 0.00 S ATOM 1956 CE MET A 108 -8.468 -1.779 -1.890 1.00 0.00 C ATOM 0 H MET A 108 -7.462 -4.562 -5.387 1.00 0.00 H new ATOM 0 HA MET A 108 -7.381 -2.305 -7.065 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.813 -2.587 -4.084 1.00 0.00 H new ATOM 0 HB3 MET A 108 -7.050 -1.057 -4.906 1.00 0.00 H new ATOM 0 HG2 MET A 108 -9.363 -1.927 -5.583 1.00 0.00 H new ATOM 0 HG3 MET A 108 -9.093 -3.253 -4.469 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.786 -1.269 -0.981 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.611 -2.853 -1.772 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.414 -1.572 -2.072 1.00 0.00 H new ATOM 1966 N MET A 109 -4.452 -3.254 -5.844 1.00 0.00 N ATOM 1967 CA MET A 109 -2.996 -3.085 -5.923 1.00 0.00 C ATOM 1968 C MET A 109 -2.451 -3.510 -7.300 1.00 0.00 C ATOM 1969 O MET A 109 -1.578 -2.836 -7.845 1.00 0.00 O ATOM 1970 CB MET A 109 -2.337 -3.777 -4.708 1.00 0.00 C ATOM 1971 CG MET A 109 -1.762 -5.187 -4.889 1.00 0.00 C ATOM 1972 SD MET A 109 -0.075 -5.264 -5.560 1.00 0.00 S ATOM 1973 CE MET A 109 0.829 -4.367 -4.265 1.00 0.00 C ATOM 0 H MET A 109 -4.732 -4.080 -5.315 1.00 0.00 H new ATOM 0 HA MET A 109 -2.730 -2.030 -5.855 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.530 -3.133 -4.358 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.078 -3.822 -3.910 1.00 0.00 H new ATOM 0 HG2 MET A 109 -1.773 -5.692 -3.923 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.423 -5.748 -5.550 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.859 -4.722 -4.228 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.821 -3.300 -4.488 1.00 0.00 H new ATOM 0 HE3 MET A 109 0.351 -4.540 -3.301 1.00 0.00 H new ATOM 1983 N ALA A 110 -3.033 -4.539 -7.935 1.00 0.00 N ATOM 1984 CA ALA A 110 -2.736 -4.897 -9.327 1.00 0.00 C ATOM 1985 C ALA A 110 -3.185 -3.815 -10.331 1.00 0.00 C ATOM 1986 O ALA A 110 -2.524 -3.591 -11.346 1.00 0.00 O ATOM 1987 CB ALA A 110 -3.407 -6.236 -9.642 1.00 0.00 C ATOM 0 H ALA A 110 -3.724 -5.146 -7.495 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.654 -4.979 -9.434 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.195 -6.515 -10.674 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.020 -7.003 -8.972 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.484 -6.144 -9.505 1.00 0.00 H new ATOM 1993 N SER A 111 -4.269 -3.088 -10.032 1.00 0.00 N ATOM 1994 CA SER A 111 -4.765 -1.978 -10.867 1.00 0.00 C ATOM 1995 C SER A 111 -3.785 -0.795 -10.979 1.00 0.00 C ATOM 1996 O SER A 111 -3.923 0.037 -11.877 1.00 0.00 O ATOM 1997 CB SER A 111 -6.126 -1.484 -10.360 1.00 0.00 C ATOM 1998 OG SER A 111 -7.116 -2.493 -10.500 1.00 0.00 O ATOM 0 H SER A 111 -4.833 -3.252 -9.198 1.00 0.00 H new ATOM 0 HA SER A 111 -4.869 -2.389 -11.871 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.044 -1.192 -9.313 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.425 -0.596 -10.916 1.00 0.00 H new ATOM 0 HG SER A 111 -6.971 -3.189 -9.825 1.00 0.00 H new ATOM 2004 N MET A 112 -2.760 -0.727 -10.117 1.00 0.00 N ATOM 2005 CA MET A 112 -1.675 0.269 -10.180 1.00 0.00 C ATOM 2006 C MET A 112 -0.606 -0.035 -11.248 1.00 0.00 C ATOM 2007 O MET A 112 0.305 0.769 -11.448 1.00 0.00 O ATOM 2008 CB MET A 112 -1.015 0.420 -8.800 1.00 0.00 C ATOM 2009 CG MET A 112 -2.027 0.765 -7.704 1.00 0.00 C ATOM 2010 SD MET A 112 -1.301 0.968 -6.060 1.00 0.00 S ATOM 2011 CE MET A 112 -2.841 1.066 -5.122 1.00 0.00 C ATOM 0 H MET A 112 -2.658 -1.377 -9.338 1.00 0.00 H new ATOM 0 HA MET A 112 -2.143 1.207 -10.480 1.00 0.00 H new ATOM 0 HB2 MET A 112 -0.505 -0.508 -8.541 1.00 0.00 H new ATOM 0 HB3 MET A 112 -0.255 1.200 -8.847 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.542 1.686 -7.978 1.00 0.00 H new ATOM 0 HG3 MET A 112 -2.781 -0.021 -7.661 1.00 0.00 H new ATOM 0 HE1 MET A 112 -2.619 1.301 -4.081 1.00 0.00 H new ATOM 0 HE2 MET A 112 -3.474 1.847 -5.543 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.361 0.109 -5.175 1.00 0.00 H new ATOM 2021 N THR A 113 -0.700 -1.184 -11.926 1.00 0.00 N ATOM 2022 CA THR A 113 0.277 -1.704 -12.906 1.00 0.00 C ATOM 2023 C THR A 113 -0.213 -1.811 -14.358 1.00 0.00 C ATOM 2024 O THR A 113 0.405 -2.471 -15.196 1.00 0.00 O ATOM 2025 CB THR A 113 1.084 -2.916 -12.382 1.00 0.00 C ATOM 2026 OG1 THR A 113 0.495 -4.144 -12.756 1.00 0.00 O ATOM 2027 CG2 THR A 113 1.228 -2.946 -10.854 1.00 0.00 C ATOM 0 H THR A 113 -1.495 -1.811 -11.805 1.00 0.00 H new ATOM 0 HA THR A 113 1.010 -0.903 -12.996 1.00 0.00 H new ATOM 0 HB THR A 113 2.066 -2.793 -12.838 1.00 0.00 H new ATOM 0 HG1 THR A 113 1.034 -4.885 -12.408 1.00 0.00 H new ATOM 0 HG21 THR A 113 1.805 -3.823 -10.560 1.00 0.00 H new ATOM 0 HG22 THR A 113 1.742 -2.045 -10.519 1.00 0.00 H new ATOM 0 HG23 THR A 113 0.240 -2.992 -10.396 1.00 0.00 H new